NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | item_count |
386068 | 1ld6 | 5375 | cing | recoord | 4-filtered-FRED | STAR | entry | full | 527 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1ld6 # This FRED archive file contains, for PDB entry <1ld6>: # # - 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_1ld6 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1ld6 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 6200.98 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 $PANCREATIC_TRYPSIN_INHIBITOR A . 1 1 stop_ save_ save_PANCREATIC_TRYPSIN_INHIBITOR _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "PANCREATIC TRYPSIN INHIBITOR" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code RPDFCLEPPYAGACRAAAARYFYNAKAGLCQTFAYGACAAKRNNFKSAEDCLRTCGGA _Entity.Number_of_monomers 58 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 ARG . 1 1 2 PRO . 1 1 3 ASP . 1 1 4 PHE . 1 1 5 CYS . 1 1 6 LEU . 1 1 7 GLU . 1 1 8 PRO . 1 1 9 PRO . 1 1 10 TYR . 1 1 11 ALA . 1 1 12 GLY . 1 1 13 ALA . 1 1 14 CYS . 1 1 15 ARG . 1 1 16 ALA . 1 1 17 ALA . 1 1 18 ALA . 1 1 19 ALA . 1 1 20 ARG . 1 1 21 TYR . 1 1 22 PHE . 1 1 23 TYR . 1 1 24 ASN . 1 1 25 ALA . 1 1 26 LYS . 1 1 27 ALA . 1 1 28 GLY . 1 1 29 LEU . 1 1 30 CYS . 1 1 31 GLN . 1 1 32 THR . 1 1 33 PHE . 1 1 34 ALA . 1 1 35 TYR . 1 1 36 GLY . 1 1 37 ALA . 1 1 38 CYS . 1 1 39 ALA . 1 1 40 ALA . 1 1 41 LYS . 1 1 42 ARG . 1 1 43 ASN . 1 1 44 ASN . 1 1 45 PHE . 1 1 46 LYS . 1 1 47 SER . 1 1 48 ALA . 1 1 49 GLU . 1 1 50 ASP . 1 1 51 CYS . 1 1 52 LEU . 1 1 53 ARG . 1 1 54 THR . 1 1 55 CYS . 1 1 56 GLY . 1 1 57 GLY . 1 1 58 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 ARG 1 1 1 1 PRO 2 2 1 1 ASP 3 3 1 1 PHE 4 4 1 1 CYS 5 5 1 1 LEU 6 6 1 1 GLU 7 7 1 1 PRO 8 8 1 1 PRO 9 9 1 1 TYR 10 10 1 1 ALA 11 11 1 1 GLY 12 12 1 1 ALA 13 13 1 1 CYS 14 14 1 1 ARG 15 15 1 1 ALA 16 16 1 1 ALA 17 17 1 1 ALA 18 18 1 1 ALA 19 19 1 1 ARG 20 20 1 1 TYR 21 21 1 1 PHE 22 22 1 1 TYR 23 23 1 1 ASN 24 24 1 1 ALA 25 25 1 1 LYS 26 26 1 1 ALA 27 27 1 1 GLY 28 28 1 1 LEU 29 29 1 1 CYS 30 30 1 1 GLN 31 31 1 1 THR 32 32 1 1 PHE 33 33 1 1 ALA 34 34 1 1 TYR 35 35 1 1 GLY 36 36 1 1 ALA 37 37 1 1 CYS 38 38 1 1 ALA 39 39 1 1 ALA 40 40 1 1 LYS 41 41 1 1 ARG 42 42 1 1 ASN 43 43 1 1 ASN 44 44 1 1 PHE 45 45 1 1 LYS 46 46 1 1 SER 47 47 1 1 ALA 48 48 1 1 GLU 49 49 1 1 ASP 50 50 1 1 CYS 51 51 1 1 LEU 52 52 1 1 ARG 53 53 1 1 THR 54 54 1 1 CYS 55 55 1 1 GLY 56 56 1 1 GLY 57 57 1 1 ALA 58 58 1 1 stop_ 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 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 1 ARG HA . 1 . HA 1 1 1 1 2 1 1 2 PRO HD2 . 2 . HD2 1 1 2 1 1 1 1 1 ARG HA . 1 . HA 1 1 2 1 2 1 1 2 PRO HD3 . 2 . HD1 1 1 3 1 1 1 1 1 ARG QB . 1 . HB# 1 1 3 1 2 1 1 1 ARG QD . 1 . HD# 1 1 4 1 1 1 1 1 ARG QB . 1 . HB# 1 1 4 1 2 1 1 1 ARG HE . 1 . HE 1 1 5 1 1 1 1 1 ARG QD . 1 . HD# 1 1 5 1 2 1 1 1 ARG QG . 1 . HG# 1 1 6 1 1 1 1 1 ARG QD . 1 . HD# 1 1 6 1 2 1 1 6 LEU MD2 . 6 . HD2# 1 1 7 1 1 1 1 1 ARG QD . 1 . HD# 1 1 7 1 2 1 1 23 TYR QE . 23 . HE# 1 1 8 1 1 1 1 1 ARG HE . 1 . HE 1 1 8 1 2 1 1 6 LEU MD2 . 6 . HD2# 1 1 9 1 1 1 1 1 ARG HE . 1 . HE 1 1 9 1 2 1 1 23 TYR QE . 23 . HE# 1 1 10 1 1 1 1 2 PRO HA . 2 . HA 1 1 10 1 2 1 1 2 PRO HB3 . 2 . HB1 1 1 11 1 1 1 1 2 PRO HA . 2 . HA 1 1 11 1 2 1 1 3 ASP H . 3 . HN 1 1 12 1 1 1 1 2 PRO HB2 . 2 . HB2 1 1 12 1 2 1 1 3 ASP H . 3 . HN 1 1 13 1 1 1 1 2 PRO HB2 . 2 . HB2 1 1 13 1 2 1 1 4 PHE H . 4 . HN 1 1 14 1 1 1 1 2 PRO HB2 . 2 . HB2 1 1 14 1 2 1 1 4 PHE QD . 4 . HD# 1 1 15 1 1 1 1 2 PRO HB2 . 2 . HB2 1 1 15 1 2 1 1 4 PHE QE . 4 . HE# 1 1 16 1 1 1 1 2 PRO HB2 . 2 . HB2 1 1 16 1 2 1 1 5 CYS H . 5 . HN 1 1 17 1 1 1 1 2 PRO HB3 . 2 . HB1 1 1 17 1 2 1 1 3 ASP H . 3 . HN 1 1 18 1 1 1 1 2 PRO HB3 . 2 . HB1 1 1 18 1 2 1 1 4 PHE H . 4 . HN 1 1 19 1 1 1 1 2 PRO HB3 . 2 . HB1 1 1 19 1 2 1 1 4 PHE QD . 4 . HD# 1 1 20 1 1 1 1 2 PRO HB3 . 2 . HB1 1 1 20 1 2 1 1 4 PHE QE . 4 . HE# 1 1 21 1 1 1 1 2 PRO HB3 . 2 . HB1 1 1 21 1 2 1 1 4 PHE HZ . 4 . HZ 1 1 22 1 1 1 1 2 PRO HD3 . 2 . HD1 1 1 22 1 2 1 1 2 PRO HG2 . 2 . HG2 1 1 23 1 1 1 1 2 PRO HG2 . 2 . HG2 1 1 23 1 2 1 1 55 CYS H . 55 . HN 1 1 24 1 1 1 1 2 PRO HD2 . 2 . HD2 1 1 24 1 2 1 1 2 PRO HG3 . 2 . HG1 1 1 25 1 1 1 1 2 PRO HD3 . 2 . HD1 1 1 25 1 2 1 1 2 PRO HG3 . 2 . HG1 1 1 26 1 1 1 1 3 ASP H . 3 . HN 1 1 26 1 2 1 1 4 PHE H . 4 . HN 1 1 27 1 1 1 1 3 ASP HA . 3 . HA 1 1 27 1 2 1 1 4 PHE H . 4 . HN 1 1 28 1 1 1 1 3 ASP HA . 3 . HA 1 1 28 1 2 1 1 6 LEU HG . 6 . HG 1 1 29 1 1 1 1 3 ASP QB . 3 . HB# 1 1 29 1 2 1 1 4 PHE H . 4 . HN 1 1 30 1 1 1 1 3 ASP QB . 3 . HB# 1 1 30 1 2 1 1 6 LEU HG . 6 . HG 1 1 31 1 1 1 1 3 ASP QB . 3 . HB# 1 1 31 1 2 1 1 6 LEU MD1 . 6 . HD1# 1 1 32 1 1 1 1 3 ASP QB . 3 . HB# 1 1 32 1 2 1 1 42 ARG QG . 42 . HG# 1 1 33 1 1 1 1 4 PHE H . 4 . HN 1 1 33 1 2 1 1 4 PHE HA . 4 . HA 1 1 34 1 1 1 1 4 PHE H . 4 . HN 1 1 34 1 2 1 1 4 PHE HB3 . 4 . HB1 1 1 35 1 1 1 1 4 PHE H . 4 . HN 1 1 35 1 2 1 1 4 PHE QD . 4 . HD# 1 1 36 1 1 1 1 4 PHE H . 4 . HN 1 1 36 1 2 1 1 5 CYS H . 5 . HN 1 1 37 1 1 1 1 4 PHE HA . 4 . HA 1 1 37 1 2 1 1 4 PHE HB2 . 4 . HB2 1 1 38 1 1 1 1 4 PHE HA . 4 . HA 1 1 38 1 2 1 1 4 PHE HB3 . 4 . HB1 1 1 39 1 1 1 1 4 PHE HA . 4 . HA 1 1 39 1 2 1 1 4 PHE QD . 4 . HD# 1 1 40 1 1 1 1 4 PHE HA . 4 . HA 1 1 40 1 2 1 1 5 CYS H . 5 . HN 1 1 41 1 1 1 1 4 PHE HA . 4 . HA 1 1 41 1 2 1 1 6 LEU H . 6 . HN 1 1 42 1 1 1 1 4 PHE HA . 4 . HA 1 1 42 1 2 1 1 7 GLU H . 7 . HN 1 1 43 1 1 1 1 4 PHE HA . 4 . HA 1 1 43 1 2 1 1 7 GLU QG . 7 . HG# 1 1 44 1 1 1 1 4 PHE HB2 . 4 . HB2 1 1 44 1 2 1 1 5 CYS H . 5 . HN 1 1 45 1 1 1 1 4 PHE HB2 . 4 . HB2 1 1 45 1 2 1 1 42 ARG QB . 42 . HB# 1 1 46 1 1 1 1 4 PHE HB3 . 4 . HB1 1 1 46 1 2 1 1 42 ARG QB . 42 . HB# 1 1 47 1 1 1 1 4 PHE QD . 4 . HD# 1 1 47 1 2 1 1 5 CYS H . 5 . HN 1 1 48 1 1 1 1 4 PHE QD . 4 . HD# 1 1 48 1 2 1 1 5 CYS HA . 5 . HA 1 1 49 1 1 1 1 4 PHE QD . 4 . HD# 1 1 49 1 2 1 1 42 ARG QB . 42 . HB# 1 1 50 1 1 1 1 4 PHE QD . 4 . HD# 1 1 50 1 2 1 1 43 ASN HA . 43 . HA 1 1 51 1 1 1 1 4 PHE QD . 4 . HD# 1 1 51 1 2 1 1 43 ASN HB2 . 43 . HB2 1 1 52 1 1 1 1 4 PHE QE . 4 . HE# 1 1 52 1 2 1 1 42 ARG QB . 42 . HB# 1 1 53 1 1 1 1 4 PHE QE . 4 . HE# 1 1 53 1 2 1 1 43 ASN HA . 43 . HA 1 1 54 1 1 1 1 5 CYS H . 5 . HN 1 1 54 1 2 1 1 5 CYS QB . 5 . HB# 1 1 55 1 1 1 1 5 CYS H . 5 . HN 1 1 55 1 2 1 1 6 LEU H . 6 . HN 1 1 56 1 1 1 1 5 CYS QB . 5 . HB# 1 1 56 1 2 1 1 6 LEU H . 6 . HN 1 1 57 1 1 1 1 5 CYS QB . 5 . HB# 1 1 57 1 2 1 1 23 TYR QD . 23 . HD# 1 1 58 1 1 1 1 5 CYS QB . 5 . HB# 1 1 58 1 2 1 1 23 TYR QE . 23 . HE# 1 1 59 1 1 1 1 6 LEU H . 6 . HN 1 1 59 1 2 1 1 6 LEU QB . 6 . HB# 1 1 60 1 1 1 1 6 LEU H . 6 . HN 1 1 60 1 2 1 1 6 LEU HG . 6 . HG 1 1 61 1 1 1 1 6 LEU H . 6 . HN 1 1 61 1 2 1 1 6 LEU MD1 . 6 . HD1# 1 1 62 1 1 1 1 6 LEU H . 6 . HN 1 1 62 1 2 1 1 6 LEU MD2 . 6 . HD2# 1 1 63 1 1 1 1 6 LEU H . 6 . HN 1 1 63 1 2 1 1 7 GLU H . 7 . HN 1 1 64 1 1 1 1 6 LEU HA . 6 . HA 1 1 64 1 2 1 1 6 LEU MD2 . 6 . HD2# 1 1 65 1 1 1 1 6 LEU HA . 6 . HA 1 1 65 1 2 1 1 7 GLU H . 7 . HN 1 1 66 1 1 1 1 6 LEU QB . 6 . HB# 1 1 66 1 2 1 1 6 LEU MD1 . 6 . HD1# 1 1 67 1 1 1 1 6 LEU QB . 6 . HB# 1 1 67 1 2 1 1 6 LEU MD2 . 6 . HD2# 1 1 68 1 1 1 1 6 LEU QB . 6 . HB# 1 1 68 1 2 1 1 7 GLU H . 7 . HN 1 1 69 1 1 1 1 7 GLU H . 7 . HN 1 1 69 1 2 1 1 7 GLU QB . 7 . HB# 1 1 70 1 1 1 1 7 GLU H . 7 . HN 1 1 70 1 2 1 1 7 GLU QG . 7 . HG# 1 1 71 1 1 1 1 7 GLU H . 7 . HN 1 1 71 1 2 1 1 43 ASN QD . 43 . HD2# 1 1 72 1 1 1 1 7 GLU HA . 7 . HA 1 1 72 1 2 1 1 7 GLU QG . 7 . HG# 1 1 73 1 1 1 1 7 GLU HA . 7 . HA 1 1 73 1 2 1 1 8 PRO QD . 8 . HD# 1 1 74 1 1 1 1 7 GLU QB . 7 . HB# 1 1 74 1 2 1 1 7 GLU QG . 7 . HG# 1 1 75 1 1 1 1 7 GLU QB . 7 . HB# 1 1 75 1 2 1 1 40 ALA MB . 40 . HB# 1 1 76 1 1 1 1 8 PRO HA . 8 . HA 1 1 76 1 2 1 1 9 PRO QD . 9 . HD# 1 1 77 1 1 1 1 8 PRO HA . 8 . HA 1 1 77 1 2 1 1 22 PHE QD . 22 . HD# 1 1 78 1 1 1 1 8 PRO QB . 8 . HB# 1 1 78 1 2 1 1 9 PRO QD . 9 . HD# 1 1 79 1 1 1 1 8 PRO QD . 8 . HD# 1 1 79 1 2 1 1 8 PRO QG . 8 . HG# 1 1 80 1 1 1 1 8 PRO QG . 8 . HG# 1 1 80 1 2 1 1 9 PRO QD . 9 . HD# 1 1 81 1 1 1 1 9 PRO HA . 9 . HA 1 1 81 1 2 1 1 10 TYR H . 10 . HN 1 1 82 1 1 1 1 9 PRO HB2 . 9 . HB2 1 1 82 1 2 1 1 10 TYR H . 10 . HN 1 1 83 1 1 1 1 9 PRO HB2 . 9 . HB2 1 1 83 1 2 1 1 33 PHE QE . 33 . HE# 1 1 84 1 1 1 1 9 PRO HB2 . 9 . HB2 1 1 84 1 2 1 1 37 ALA MB . 37 . HB# 1 1 85 1 1 1 1 9 PRO HB3 . 9 . HB1 1 1 85 1 2 1 1 33 PHE QE . 33 . HE# 1 1 86 1 1 1 1 9 PRO QD . 9 . HD# 1 1 86 1 2 1 1 9 PRO QG . 9 . HG# 1 1 87 1 1 1 1 9 PRO QG . 9 . HG# 1 1 87 1 2 1 1 22 PHE QD . 22 . HD# 1 1 88 1 1 1 1 9 PRO QG . 9 . HG# 1 1 88 1 2 1 1 22 PHE QE . 22 . HE# 1 1 89 1 1 1 1 9 PRO QD . 9 . HD# 1 1 89 1 2 1 1 22 PHE QD . 22 . HD# 1 1 90 1 1 1 1 10 TYR H . 10 . HN 1 1 90 1 2 1 1 10 TYR QB . 10 . HB# 1 1 91 1 1 1 1 10 TYR H . 10 . HN 1 1 91 1 2 1 1 38 CYS H . 38 . HN 1 1 92 1 1 1 1 10 TYR HA . 10 . HA 1 1 92 1 2 1 1 10 TYR QB . 10 . HB# 1 1 93 1 1 1 1 10 TYR HA . 10 . HA 1 1 93 1 2 1 1 10 TYR QD . 10 . HD# 1 1 94 1 1 1 1 10 TYR HA . 10 . HA 1 1 94 1 2 1 1 11 ALA H . 11 . HN 1 1 95 1 1 1 1 10 TYR QB . 10 . HB# 1 1 95 1 2 1 1 11 ALA H . 11 . HN 1 1 96 1 1 1 1 10 TYR QD . 10 . HD# 1 1 96 1 2 1 1 11 ALA H . 11 . HN 1 1 97 1 1 1 1 10 TYR QD . 10 . HD# 1 1 97 1 2 1 1 11 ALA MB . 11 . HB# 1 1 98 1 1 1 1 10 TYR QD . 10 . HD# 1 1 98 1 2 1 1 12 GLY QA . 12 . HA# 1 1 99 1 1 1 1 10 TYR QD . 10 . HD# 1 1 99 1 2 1 1 40 ALA MB . 40 . HB# 1 1 100 1 1 1 1 10 TYR QE . 10 . HE# 1 1 100 1 2 1 1 12 GLY QA . 12 . HA# 1 1 101 1 1 1 1 10 TYR QE . 10 . HE# 1 1 101 1 2 1 1 13 ALA H . 13 . HN 1 1 102 1 1 1 1 10 TYR QE . 10 . HE# 1 1 102 1 2 1 1 38 CYS QB . 38 . HB# 1 1 103 1 1 1 1 10 TYR QE . 10 . HE# 1 1 103 1 2 1 1 40 ALA HA . 40 . HA 1 1 104 1 1 1 1 10 TYR QE . 10 . HE# 1 1 104 1 2 1 1 40 ALA MB . 40 . HB# 1 1 105 1 1 1 1 11 ALA H . 11 . HN 1 1 105 1 2 1 1 11 ALA MB . 11 . HB# 1 1 106 1 1 1 1 11 ALA HA . 11 . HA 1 1 106 1 2 1 1 12 GLY H . 12 . HN 1 1 107 1 1 1 1 11 ALA HA . 11 . HA 1 1 107 1 2 1 1 38 CYS H . 38 . HN 1 1 108 1 1 1 1 11 ALA MB . 11 . HB# 1 1 108 1 2 1 1 12 GLY H . 12 . HN 1 1 109 1 1 1 1 12 GLY H . 12 . HN 1 1 109 1 2 1 1 12 GLY QA . 12 . HA# 1 1 110 1 1 1 1 12 GLY H . 12 . HN 1 1 110 1 2 1 1 37 ALA HA . 37 . HA 1 1 111 1 1 1 1 12 GLY QA . 12 . HA# 1 1 111 1 2 1 1 13 ALA H . 13 . HN 1 1 112 1 1 1 1 13 ALA H . 13 . HN 1 1 112 1 2 1 1 13 ALA HA . 13 . HA 1 1 113 1 1 1 1 13 ALA H . 13 . HN 1 1 113 1 2 1 1 13 ALA MB . 13 . HB# 1 1 114 1 1 1 1 13 ALA H . 13 . HN 1 1 114 1 2 1 1 14 CYS H . 14 . HN 1 1 115 1 1 1 1 13 ALA HA . 13 . HA 1 1 115 1 2 1 1 14 CYS H . 14 . HN 1 1 116 1 1 1 1 13 ALA MB . 13 . HB# 1 1 116 1 2 1 1 14 CYS H . 14 . HN 1 1 117 1 1 1 1 14 CYS H . 14 . HN 1 1 117 1 2 1 1 14 CYS QB . 14 . HB# 1 1 118 1 1 1 1 14 CYS H . 14 . HN 1 1 118 1 2 1 1 36 GLY HA3 . 36 . HA1 1 1 119 1 1 1 1 14 CYS H . 14 . HN 1 1 119 1 2 1 1 36 GLY HA2 . 36 . HA2 1 1 120 1 1 1 1 14 CYS HA . 14 . HA 1 1 120 1 2 1 1 15 ARG H . 15 . HN 1 1 121 1 1 1 1 14 CYS QB . 14 . HB# 1 1 121 1 2 1 1 15 ARG H . 15 . HN 1 1 122 1 1 1 1 15 ARG H . 15 . HN 1 1 122 1 2 1 1 15 ARG QB . 15 . HB# 1 1 123 1 1 1 1 15 ARG H . 15 . HN 1 1 123 1 2 1 1 15 ARG QG . 15 . HG# 1 1 124 1 1 1 1 15 ARG HA . 15 . HA 1 1 124 1 2 1 1 15 ARG QB . 15 . HB# 1 1 125 1 1 1 1 15 ARG HA . 15 . HA 1 1 125 1 2 1 1 15 ARG QG . 15 . HG# 1 1 126 1 1 1 1 15 ARG HA . 15 . HA 1 1 126 1 2 1 1 15 ARG QD . 15 . HD# 1 1 127 1 1 1 1 15 ARG HA . 15 . HA 1 1 127 1 2 1 1 16 ALA H . 16 . HN 1 1 128 1 1 1 1 15 ARG HA . 15 . HA 1 1 128 1 2 1 1 35 TYR QD . 35 . HD# 1 1 129 1 1 1 1 15 ARG QB . 15 . HB# 1 1 129 1 2 1 1 15 ARG QD . 15 . HD# 1 1 130 1 1 1 1 15 ARG QD . 15 . HD# 1 1 130 1 2 1 1 15 ARG QG . 15 . HG# 1 1 131 1 1 1 1 16 ALA H . 16 . HN 1 1 131 1 2 1 1 16 ALA MB . 16 . HB# 1 1 132 1 1 1 1 16 ALA HA . 16 . HA 1 1 132 1 2 1 1 17 ALA H . 17 . HN 1 1 133 1 1 1 1 16 ALA HA . 16 . HA 1 1 133 1 2 1 1 18 ALA H . 18 . HN 1 1 134 1 1 1 1 17 ALA H . 17 . HN 1 1 134 1 2 1 1 17 ALA HA . 17 . HA 1 1 135 1 1 1 1 17 ALA H . 17 . HN 1 1 135 1 2 1 1 17 ALA MB . 17 . HB# 1 1 136 1 1 1 1 17 ALA H . 17 . HN 1 1 136 1 2 1 1 18 ALA H . 18 . HN 1 1 137 1 1 1 1 17 ALA HA . 17 . HA 1 1 137 1 2 1 1 18 ALA H . 18 . HN 1 1 138 1 1 1 1 17 ALA MB . 17 . HB# 1 1 138 1 2 1 1 18 ALA H . 18 . HN 1 1 139 1 1 1 1 17 ALA MB . 17 . HB# 1 1 139 1 2 1 1 33 PHE HB2 . 33 . HB2 1 1 140 1 1 1 1 17 ALA MB . 17 . HB# 1 1 140 1 2 1 1 33 PHE QD . 33 . HD# 1 1 141 1 1 1 1 18 ALA H . 18 . HN 1 1 141 1 2 1 1 18 ALA MB . 18 . HB# 1 1 142 1 1 1 1 18 ALA H . 18 . HN 1 1 142 1 2 1 1 19 ALA H . 19 . HN 1 1 143 1 1 1 1 18 ALA HA . 18 . HA 1 1 143 1 2 1 1 19 ALA H . 19 . HN 1 1 144 1 1 1 1 19 ALA H . 19 . HN 1 1 144 1 2 1 1 19 ALA HA . 19 . HA 1 1 145 1 1 1 1 19 ALA H . 19 . HN 1 1 145 1 2 1 1 19 ALA MB . 19 . HB# 1 1 146 1 1 1 1 19 ALA H . 19 . HN 1 1 146 1 2 1 1 20 ARG H . 20 . HN 1 1 147 1 1 1 1 19 ALA HA . 19 . HA 1 1 147 1 2 1 1 21 TYR QE . 21 . HE# 1 1 148 1 1 1 1 19 ALA MB . 19 . HB# 1 1 148 1 2 1 1 20 ARG H . 20 . HN 1 1 149 1 1 1 1 20 ARG H . 20 . HN 1 1 149 1 2 1 1 20 ARG HB2 . 20 . HB2 1 1 150 1 1 1 1 20 ARG H . 20 . HN 1 1 150 1 2 1 1 20 ARG HB3 . 20 . HB1 1 1 151 1 1 1 1 20 ARG H . 20 . HN 1 1 151 1 2 1 1 20 ARG QG . 20 . HG# 1 1 152 1 1 1 1 20 ARG H . 20 . HN 1 1 152 1 2 1 1 32 THR MG . 32 . HG2# 1 1 153 1 1 1 1 20 ARG HA . 20 . HA 1 1 153 1 2 1 1 21 TYR H . 21 . HN 1 1 154 1 1 1 1 20 ARG HA . 20 . HA 1 1 154 1 2 1 1 21 TYR QE . 21 . HE# 1 1 155 1 1 1 1 20 ARG HA . 20 . HA 1 1 155 1 2 1 1 33 PHE QE . 33 . HE# 1 1 156 1 1 1 1 20 ARG HB2 . 20 . HB2 1 1 156 1 2 1 1 21 TYR H . 21 . HN 1 1 157 1 1 1 1 20 ARG HB2 . 20 . HB2 1 1 157 1 2 1 1 33 PHE QE . 33 . HE# 1 1 158 1 1 1 1 20 ARG HB3 . 20 . HB1 1 1 158 1 2 1 1 20 ARG HE . 20 . HE 1 1 159 1 1 1 1 20 ARG HB3 . 20 . HB1 1 1 159 1 2 1 1 21 TYR H . 21 . HN 1 1 160 1 1 1 1 20 ARG HB3 . 20 . HB1 1 1 160 1 2 1 1 33 PHE QD . 33 . HD# 1 1 161 1 1 1 1 20 ARG HB3 . 20 . HB1 1 1 161 1 2 1 1 33 PHE QE . 33 . HE# 1 1 162 1 1 1 1 20 ARG QD . 20 . HD# 1 1 162 1 2 1 1 20 ARG QG . 20 . HG# 1 1 163 1 1 1 1 21 TYR H . 21 . HN 1 1 163 1 2 1 1 21 TYR QB . 21 . HB# 1 1 164 1 1 1 1 21 TYR H . 21 . HN 1 1 164 1 2 1 1 33 PHE QE . 33 . HE# 1 1 165 1 1 1 1 21 TYR H . 21 . HN 1 1 165 1 2 1 1 45 PHE H . 45 . HN 1 1 166 1 1 1 1 21 TYR H . 21 . HN 1 1 166 1 2 1 1 45 PHE HB3 . 45 . HB1 1 1 167 1 1 1 1 21 TYR HA . 21 . HA 1 1 167 1 2 1 1 22 PHE H . 22 . HN 1 1 168 1 1 1 1 21 TYR HA . 21 . HA 1 1 168 1 2 1 1 22 PHE QD . 22 . HD# 1 1 169 1 1 1 1 21 TYR HA . 21 . HA 1 1 169 1 2 1 1 31 GLN H . 31 . HN 1 1 170 1 1 1 1 21 TYR HA . 21 . HA 1 1 170 1 2 1 1 32 THR HA . 32 . HA 1 1 171 1 1 1 1 21 TYR HA . 21 . HA 1 1 171 1 2 1 1 32 THR MG . 32 . HG2# 1 1 172 1 1 1 1 21 TYR HA . 21 . HA 1 1 172 1 2 1 1 33 PHE QD . 33 . HD# 1 1 173 1 1 1 1 21 TYR QB . 21 . HB# 1 1 173 1 2 1 1 22 PHE H . 22 . HN 1 1 174 1 1 1 1 21 TYR QB . 21 . HB# 1 1 174 1 2 1 1 30 CYS HA . 30 . HA 1 1 175 1 1 1 1 21 TYR QB . 21 . HB# 1 1 175 1 2 1 1 45 PHE H . 45 . HN 1 1 176 1 1 1 1 21 TYR QB . 21 . HB# 1 1 176 1 2 1 1 45 PHE HB3 . 45 . HB1 1 1 177 1 1 1 1 21 TYR QB . 21 . HB# 1 1 177 1 2 1 1 45 PHE QD . 45 . HD# 1 1 178 1 1 1 1 21 TYR QB . 21 . HB# 1 1 178 1 2 1 1 48 ALA HA . 48 . HA 1 1 179 1 1 1 1 21 TYR QB . 21 . HB# 1 1 179 1 2 1 1 51 CYS HB2 . 51 . HB2 1 1 180 1 1 1 1 21 TYR QB . 21 . HB# 1 1 180 1 2 1 1 51 CYS HB3 . 51 . HB1 1 1 181 1 1 1 1 21 TYR QD . 21 . HD# 1 1 181 1 2 1 1 22 PHE H . 22 . HN 1 1 182 1 1 1 1 21 TYR QD . 21 . HD# 1 1 182 1 2 1 1 31 GLN H . 31 . HN 1 1 183 1 1 1 1 21 TYR QD . 21 . HD# 1 1 183 1 2 1 1 32 THR MG . 32 . HG2# 1 1 184 1 1 1 1 21 TYR QD . 21 . HD# 1 1 184 1 2 1 1 48 ALA H . 48 . HN 1 1 185 1 1 1 1 21 TYR QD . 21 . HD# 1 1 185 1 2 1 1 48 ALA MB . 48 . HB# 1 1 186 1 1 1 1 21 TYR QE . 21 . HE# 1 1 186 1 2 1 1 31 GLN H . 31 . HN 1 1 187 1 1 1 1 21 TYR QE . 21 . HE# 1 1 187 1 2 1 1 32 THR MG . 32 . HG2# 1 1 188 1 1 1 1 21 TYR QE . 21 . HE# 1 1 188 1 2 1 1 47 SER HA . 47 . HA 1 1 189 1 1 1 1 21 TYR QE . 21 . HE# 1 1 189 1 2 1 1 48 ALA H . 48 . HN 1 1 190 1 1 1 1 21 TYR QE . 21 . HE# 1 1 190 1 2 1 1 48 ALA HA . 48 . HA 1 1 191 1 1 1 1 21 TYR QE . 21 . HE# 1 1 191 1 2 1 1 48 ALA MB . 48 . HB# 1 1 192 1 1 1 1 22 PHE H . 22 . HN 1 1 192 1 2 1 1 22 PHE QD . 22 . HD# 1 1 193 1 1 1 1 22 PHE H . 22 . HN 1 1 193 1 2 1 1 30 CYS HA . 30 . HA 1 1 194 1 1 1 1 22 PHE H . 22 . HN 1 1 194 1 2 1 1 31 GLN H . 31 . HN 1 1 195 1 1 1 1 22 PHE H . 22 . HN 1 1 195 1 2 1 1 32 THR HA . 32 . HA 1 1 196 1 1 1 1 22 PHE HA . 22 . HA 1 1 196 1 2 1 1 22 PHE HB2 . 22 . HB2 1 1 197 1 1 1 1 22 PHE HA . 22 . HA 1 1 197 1 2 1 1 22 PHE HB3 . 22 . HB1 1 1 198 1 1 1 1 22 PHE HA . 22 . HA 1 1 198 1 2 1 1 23 TYR H . 23 . HN 1 1 199 1 1 1 1 22 PHE HB2 . 22 . HB2 1 1 199 1 2 1 1 23 TYR H . 23 . HN 1 1 200 1 1 1 1 22 PHE HB2 . 22 . HB2 1 1 200 1 2 1 1 33 PHE HZ . 33 . HZ 1 1 201 1 1 1 1 22 PHE HB3 . 22 . HB1 1 1 201 1 2 1 1 23 TYR H . 23 . HN 1 1 202 1 1 1 1 22 PHE HB3 . 22 . HB1 1 1 202 1 2 1 1 33 PHE HZ . 33 . HZ 1 1 203 1 1 1 1 22 PHE QD . 22 . HD# 1 1 203 1 2 1 1 23 TYR H . 23 . HN 1 1 204 1 1 1 1 22 PHE QD . 22 . HD# 1 1 204 1 2 1 1 24 ASN HA . 24 . HA 1 1 205 1 1 1 1 22 PHE QD . 22 . HD# 1 1 205 1 2 1 1 33 PHE HA . 33 . HA 1 1 206 1 1 1 1 22 PHE QD . 22 . HD# 1 1 206 1 2 1 1 33 PHE HB3 . 33 . HB1 1 1 207 1 1 1 1 22 PHE QD . 22 . HD# 1 1 207 1 2 1 1 33 PHE QD . 33 . HD# 1 1 208 1 1 1 1 22 PHE QE . 22 . HE# 1 1 208 1 2 1 1 24 ASN HA . 24 . HA 1 1 209 1 1 1 1 22 PHE QE . 22 . HE# 1 1 209 1 2 1 1 24 ASN HD22 . 24 . HD22 1 1 210 1 1 1 1 22 PHE QE . 22 . HE# 1 1 210 1 2 1 1 33 PHE HB3 . 33 . HB1 1 1 211 1 1 1 1 22 PHE QE . 22 . HE# 1 1 211 1 2 1 1 34 ALA H . 34 . HN 1 1 212 1 1 1 1 22 PHE QE . 22 . HE# 1 1 212 1 2 1 1 37 ALA MB . 37 . HB# 1 1 213 1 1 1 1 23 TYR H . 23 . HN 1 1 213 1 2 1 1 23 TYR HB2 . 23 . HB2 1 1 214 1 1 1 1 23 TYR H . 23 . HN 1 1 214 1 2 1 1 23 TYR HB3 . 23 . HB1 1 1 215 1 1 1 1 23 TYR H . 23 . HN 1 1 215 1 2 1 1 43 ASN QD . 43 . HD2# 1 1 216 1 1 1 1 23 TYR H . 23 . HN 1 1 216 1 2 1 1 45 PHE QD . 45 . HD# 1 1 217 1 1 1 1 23 TYR HA . 23 . HA 1 1 217 1 2 1 1 23 TYR QD . 23 . HD# 1 1 218 1 1 1 1 23 TYR HA . 23 . HA 1 1 218 1 2 1 1 24 ASN H . 24 . HN 1 1 219 1 1 1 1 23 TYR HA . 23 . HA 1 1 219 1 2 1 1 30 CYS HA . 30 . HA 1 1 220 1 1 1 1 23 TYR HA . 23 . HA 1 1 220 1 2 1 1 31 GLN H . 31 . HN 1 1 221 1 1 1 1 23 TYR HB2 . 23 . HB2 1 1 221 1 2 1 1 24 ASN H . 24 . HN 1 1 222 1 1 1 1 23 TYR HB2 . 23 . HB2 1 1 222 1 2 1 1 30 CYS HA . 30 . HA 1 1 223 1 1 1 1 23 TYR HB2 . 23 . HB2 1 1 223 1 2 1 1 55 CYS QB . 55 . HB# 1 1 224 1 1 1 1 23 TYR HB2 . 23 . HB2 1 1 224 1 2 1 1 56 GLY H . 56 . HN 1 1 225 1 1 1 1 23 TYR HB3 . 23 . HB1 1 1 225 1 2 1 1 55 CYS QB . 55 . HB# 1 1 226 1 1 1 1 23 TYR QD . 23 . HD# 1 1 226 1 2 1 1 24 ASN H . 24 . HN 1 1 227 1 1 1 1 23 TYR QD . 23 . HD# 1 1 227 1 2 1 1 25 ALA HA . 25 . HA 1 1 228 1 1 1 1 23 TYR QD . 23 . HD# 1 1 228 1 2 1 1 30 CYS HA . 30 . HA 1 1 229 1 1 1 1 23 TYR QD . 23 . HD# 1 1 229 1 2 1 1 52 LEU MD2 . 52 . HD2# 1 1 230 1 1 1 1 23 TYR QD . 23 . HD# 1 1 230 1 2 1 1 55 CYS QB . 55 . HB# 1 1 231 1 1 1 1 23 TYR QE . 23 . HE# 1 1 231 1 2 1 1 24 ASN H . 24 . HN 1 1 232 1 1 1 1 23 TYR QE . 23 . HE# 1 1 232 1 2 1 1 25 ALA H . 25 . HN 1 1 233 1 1 1 1 23 TYR QE . 23 . HE# 1 1 233 1 2 1 1 25 ALA HA . 25 . HA 1 1 234 1 1 1 1 23 TYR QE . 23 . HE# 1 1 234 1 2 1 1 28 GLY HA3 . 28 . HA1 1 1 235 1 1 1 1 23 TYR QE . 23 . HE# 1 1 235 1 2 1 1 29 LEU HA . 29 . HA 1 1 236 1 1 1 1 23 TYR QE . 23 . HE# 1 1 236 1 2 1 1 52 LEU MD2 . 52 . HD2# 1 1 237 1 1 1 1 23 TYR QE . 23 . HE# 1 1 237 1 2 1 1 55 CYS QB . 55 . HB# 1 1 238 1 1 1 1 23 TYR QE . 23 . HE# 1 1 238 1 2 1 1 58 ALA MB . 58 . HB# 1 1 239 1 1 1 1 24 ASN H . 24 . HN 1 1 239 1 2 1 1 24 ASN HB2 . 24 . HB2 1 1 240 1 1 1 1 24 ASN H . 24 . HN 1 1 240 1 2 1 1 24 ASN HB3 . 24 . HB1 1 1 241 1 1 1 1 24 ASN H . 24 . HN 1 1 241 1 2 1 1 29 LEU H . 29 . HN 1 1 242 1 1 1 1 24 ASN H . 24 . HN 1 1 242 1 2 1 1 30 CYS HA . 30 . HA 1 1 243 1 1 1 1 24 ASN HA . 24 . HA 1 1 243 1 2 1 1 24 ASN HB2 . 24 . HB2 1 1 244 1 1 1 1 24 ASN HA . 24 . HA 1 1 244 1 2 1 1 25 ALA H . 25 . HN 1 1 245 1 1 1 1 24 ASN HA . 24 . HA 1 1 245 1 2 1 1 26 LYS H . 26 . HN 1 1 246 1 1 1 1 24 ASN HB2 . 24 . HB2 1 1 246 1 2 1 1 24 ASN HD21 . 24 . HD21 1 1 247 1 1 1 1 24 ASN HB2 . 24 . HB2 1 1 247 1 2 1 1 27 ALA MB . 27 . HB# 1 1 248 1 1 1 1 24 ASN HB2 . 24 . HB2 1 1 248 1 2 1 1 29 LEU H . 29 . HN 1 1 249 1 1 1 1 24 ASN HB3 . 24 . HB1 1 1 249 1 2 1 1 24 ASN HD22 . 24 . HD22 1 1 250 1 1 1 1 24 ASN HB3 . 24 . HB1 1 1 250 1 2 1 1 27 ALA H . 27 . HN 1 1 251 1 1 1 1 24 ASN HB3 . 24 . HB1 1 1 251 1 2 1 1 27 ALA MB . 27 . HB# 1 1 252 1 1 1 1 24 ASN HB3 . 24 . HB1 1 1 252 1 2 1 1 29 LEU H . 29 . HN 1 1 253 1 1 1 1 24 ASN HD21 . 24 . HD21 1 1 253 1 2 1 1 27 ALA MB . 27 . HB# 1 1 254 1 1 1 1 24 ASN HD22 . 24 . HD22 1 1 254 1 2 1 1 27 ALA MB . 27 . HB# 1 1 255 1 1 1 1 25 ALA H . 25 . HN 1 1 255 1 2 1 1 25 ALA MB . 25 . HB# 1 1 256 1 1 1 1 25 ALA H . 25 . HN 1 1 256 1 2 1 1 26 LYS H . 26 . HN 1 1 257 1 1 1 1 25 ALA HA . 25 . HA 1 1 257 1 2 1 1 26 LYS H . 26 . HN 1 1 258 1 1 1 1 25 ALA HA . 25 . HA 1 1 258 1 2 1 1 28 GLY H . 28 . HN 1 1 259 1 1 1 1 25 ALA MB . 25 . HB# 1 1 259 1 2 1 1 26 LYS H . 26 . HN 1 1 260 1 1 1 1 26 LYS H . 26 . HN 1 1 260 1 2 1 1 26 LYS HA . 26 . HA 1 1 261 1 1 1 1 26 LYS H . 26 . HN 1 1 261 1 2 1 1 26 LYS QG . 26 . HG# 1 1 262 1 1 1 1 26 LYS H . 26 . HN 1 1 262 1 2 1 1 27 ALA H . 27 . HN 1 1 263 1 1 1 1 26 LYS H . 26 . HN 1 1 263 1 2 1 1 27 ALA MB . 27 . HB# 1 1 264 1 1 1 1 26 LYS HA . 26 . HA 1 1 264 1 2 1 1 26 LYS QG . 26 . HG# 1 1 265 1 1 1 1 26 LYS HA . 26 . HA 1 1 265 1 2 1 1 26 LYS QD . 26 . HD# 1 1 266 1 1 1 1 26 LYS HA . 26 . HA 1 1 266 1 2 1 1 27 ALA H . 27 . HN 1 1 267 1 1 1 1 26 LYS QB . 26 . HB# 1 1 267 1 2 1 1 27 ALA H . 27 . HN 1 1 268 1 1 1 1 27 ALA H . 27 . HN 1 1 268 1 2 1 1 27 ALA HA . 27 . HA 1 1 269 1 1 1 1 27 ALA H . 27 . HN 1 1 269 1 2 1 1 27 ALA MB . 27 . HB# 1 1 270 1 1 1 1 27 ALA H . 27 . HN 1 1 270 1 2 1 1 28 GLY H . 28 . HN 1 1 271 1 1 1 1 27 ALA H . 27 . HN 1 1 271 1 2 1 1 28 GLY HA3 . 28 . HA1 1 1 272 1 1 1 1 27 ALA H . 27 . HN 1 1 272 1 2 1 1 28 GLY HA2 . 28 . HA2 1 1 273 1 1 1 1 27 ALA MB . 27 . HB# 1 1 273 1 2 1 1 28 GLY H . 28 . HN 1 1 274 1 1 1 1 27 ALA MB . 27 . HB# 1 1 274 1 2 1 1 29 LEU H . 29 . HN 1 1 275 1 1 1 1 27 ALA MB . 27 . HB# 1 1 275 1 2 1 1 29 LEU MD1 . 29 . HD1# 1 1 276 1 1 1 1 27 ALA MB . 27 . HB# 1 1 276 1 2 1 1 29 LEU MD2 . 29 . HD2# 1 1 277 1 1 1 1 28 GLY H . 28 . HN 1 1 277 1 2 1 1 28 GLY HA3 . 28 . HA1 1 1 278 1 1 1 1 28 GLY H . 28 . HN 1 1 278 1 2 1 1 28 GLY HA2 . 28 . HA2 1 1 279 1 1 1 1 28 GLY H . 28 . HN 1 1 279 1 2 1 1 29 LEU H . 29 . HN 1 1 280 1 1 1 1 28 GLY HA3 . 28 . HA1 1 1 280 1 2 1 1 29 LEU H . 29 . HN 1 1 281 1 1 1 1 28 GLY HA2 . 28 . HA2 1 1 281 1 2 1 1 29 LEU H . 29 . HN 1 1 282 1 1 1 1 29 LEU H . 29 . HN 1 1 282 1 2 1 1 29 LEU QB . 29 . HB# 1 1 283 1 1 1 1 29 LEU H . 29 . HN 1 1 283 1 2 1 1 29 LEU MD1 . 29 . HD1# 1 1 284 1 1 1 1 29 LEU H . 29 . HN 1 1 284 1 2 1 1 29 LEU MD2 . 29 . HD2# 1 1 285 1 1 1 1 29 LEU HA . 29 . HA 1 1 285 1 2 1 1 29 LEU MD1 . 29 . HD1# 1 1 286 1 1 1 1 29 LEU HA . 29 . HA 1 1 286 1 2 1 1 29 LEU MD2 . 29 . HD2# 1 1 287 1 1 1 1 29 LEU HA . 29 . HA 1 1 287 1 2 1 1 30 CYS H . 30 . HN 1 1 288 1 1 1 1 29 LEU QB . 29 . HB# 1 1 288 1 2 1 1 29 LEU MD1 . 29 . HD1# 1 1 289 1 1 1 1 29 LEU QB . 29 . HB# 1 1 289 1 2 1 1 29 LEU MD2 . 29 . HD2# 1 1 290 1 1 1 1 29 LEU HG . 29 . HG 1 1 290 1 2 1 1 52 LEU MD2 . 52 . HD2# 1 1 291 1 1 1 1 29 LEU MD1 . 29 . HD1# 1 1 291 1 2 1 1 30 CYS H . 30 . HN 1 1 292 1 1 1 1 29 LEU MD2 . 29 . HD2# 1 1 292 1 2 1 1 30 CYS H . 30 . HN 1 1 293 1 1 1 1 30 CYS H . 30 . HN 1 1 293 1 2 1 1 30 CYS HB2 . 30 . HB2 1 1 294 1 1 1 1 30 CYS H . 30 . HN 1 1 294 1 2 1 1 52 LEU MD2 . 52 . HD2# 1 1 295 1 1 1 1 30 CYS HA . 30 . HA 1 1 295 1 2 1 1 30 CYS HB2 . 30 . HB2 1 1 296 1 1 1 1 30 CYS HA . 30 . HA 1 1 296 1 2 1 1 31 GLN H . 31 . HN 1 1 297 1 1 1 1 30 CYS HB2 . 30 . HB2 1 1 297 1 2 1 1 31 GLN H . 31 . HN 1 1 298 1 1 1 1 30 CYS HB2 . 30 . HB2 1 1 298 1 2 1 1 48 ALA HA . 48 . HA 1 1 299 1 1 1 1 30 CYS HB2 . 30 . HB2 1 1 299 1 2 1 1 51 CYS HB3 . 51 . HB1 1 1 300 1 1 1 1 30 CYS HB3 . 30 . HB1 1 1 300 1 2 1 1 48 ALA MB . 48 . HB# 1 1 301 1 1 1 1 30 CYS HB3 . 30 . HB1 1 1 301 1 2 1 1 52 LEU MD2 . 52 . HD2# 1 1 302 1 1 1 1 31 GLN H . 31 . HN 1 1 302 1 2 1 1 31 GLN QB . 31 . HB# 1 1 303 1 1 1 1 31 GLN HA . 31 . HA 1 1 303 1 2 1 1 32 THR H . 32 . HN 1 1 304 1 1 1 1 32 THR H . 32 . HN 1 1 304 1 2 1 1 32 THR HB . 32 . HB 1 1 305 1 1 1 1 32 THR H . 32 . HN 1 1 305 1 2 1 1 32 THR MG . 32 . HG2# 1 1 306 1 1 1 1 32 THR HA . 32 . HA 1 1 306 1 2 1 1 32 THR MG . 32 . HG2# 1 1 307 1 1 1 1 32 THR HA . 32 . HA 1 1 307 1 2 1 1 33 PHE H . 33 . HN 1 1 308 1 1 1 1 32 THR HB . 32 . HB 1 1 308 1 2 1 1 33 PHE H . 33 . HN 1 1 309 1 1 1 1 32 THR MG . 32 . HG2# 1 1 309 1 2 1 1 34 ALA MB . 34 . HB# 1 1 310 1 1 1 1 33 PHE H . 33 . HN 1 1 310 1 2 1 1 33 PHE HB2 . 33 . HB2 1 1 311 1 1 1 1 33 PHE HA . 33 . HA 1 1 311 1 2 1 1 33 PHE HB3 . 33 . HB1 1 1 312 1 1 1 1 33 PHE HA . 33 . HA 1 1 312 1 2 1 1 33 PHE QD . 33 . HD# 1 1 313 1 1 1 1 33 PHE HA . 33 . HA 1 1 313 1 2 1 1 34 ALA H . 34 . HN 1 1 314 1 1 1 1 33 PHE HA . 33 . HA 1 1 314 1 2 1 1 37 ALA MB . 37 . HB# 1 1 315 1 1 1 1 33 PHE HB2 . 33 . HB2 1 1 315 1 2 1 1 34 ALA H . 34 . HN 1 1 316 1 1 1 1 33 PHE HB2 . 33 . HB2 1 1 316 1 2 1 1 37 ALA MB . 37 . HB# 1 1 317 1 1 1 1 33 PHE HB3 . 33 . HB1 1 1 317 1 2 1 1 34 ALA H . 34 . HN 1 1 318 1 1 1 1 33 PHE HB3 . 33 . HB1 1 1 318 1 2 1 1 37 ALA MB . 37 . HB# 1 1 319 1 1 1 1 33 PHE QD . 33 . HD# 1 1 319 1 2 1 1 34 ALA H . 34 . HN 1 1 320 1 1 1 1 33 PHE QD . 33 . HD# 1 1 320 1 2 1 1 37 ALA MB . 37 . HB# 1 1 321 1 1 1 1 33 PHE QD . 33 . HD# 1 1 321 1 2 1 1 39 ALA MB . 39 . HB# 1 1 322 1 1 1 1 33 PHE QE . 33 . HE# 1 1 322 1 2 1 1 37 ALA MB . 37 . HB# 1 1 323 1 1 1 1 33 PHE QE . 33 . HE# 1 1 323 1 2 1 1 39 ALA HA . 39 . HA 1 1 324 1 1 1 1 33 PHE QE . 33 . HE# 1 1 324 1 2 1 1 39 ALA MB . 39 . HB# 1 1 325 1 1 1 1 33 PHE QE . 33 . HE# 1 1 325 1 2 1 1 45 PHE H . 45 . HN 1 1 326 1 1 1 1 33 PHE HZ . 33 . HZ 1 1 326 1 2 1 1 39 ALA HA . 39 . HA 1 1 327 1 1 1 1 33 PHE HZ . 33 . HZ 1 1 327 1 2 1 1 39 ALA MB . 39 . HB# 1 1 328 1 1 1 1 33 PHE HZ . 33 . HZ 1 1 328 1 2 1 1 44 ASN HA . 44 . HA 1 1 329 1 1 1 1 33 PHE HZ . 33 . HZ 1 1 329 1 2 1 1 44 ASN QB . 44 . HB# 1 1 330 1 1 1 1 33 PHE HZ . 33 . HZ 1 1 330 1 2 1 1 45 PHE H . 45 . HN 1 1 331 1 1 1 1 34 ALA H . 34 . HN 1 1 331 1 2 1 1 34 ALA MB . 34 . HB# 1 1 332 1 1 1 1 34 ALA H . 34 . HN 1 1 332 1 2 1 1 37 ALA MB . 37 . HB# 1 1 333 1 1 1 1 35 TYR HA . 35 . HA 1 1 333 1 2 1 1 35 TYR QB . 35 . HB# 1 1 334 1 1 1 1 35 TYR HA . 35 . HA 1 1 334 1 2 1 1 35 TYR QD . 35 . HD# 1 1 335 1 1 1 1 35 TYR HA . 35 . HA 1 1 335 1 2 1 1 36 GLY H . 36 . HN 1 1 336 1 1 1 1 35 TYR QD . 35 . HD# 1 1 336 1 2 1 1 36 GLY H . 36 . HN 1 1 337 1 1 1 1 36 GLY H . 36 . HN 1 1 337 1 2 1 1 36 GLY HA3 . 36 . HA1 1 1 338 1 1 1 1 36 GLY H . 36 . HN 1 1 338 1 2 1 1 36 GLY HA2 . 36 . HA2 1 1 339 1 1 1 1 36 GLY H . 36 . HN 1 1 339 1 2 1 1 37 ALA H . 37 . HN 1 1 340 1 1 1 1 36 GLY HA3 . 36 . HA1 1 1 340 1 2 1 1 37 ALA H . 37 . HN 1 1 341 1 1 1 1 36 GLY HA2 . 36 . HA2 1 1 341 1 2 1 1 37 ALA H . 37 . HN 1 1 342 1 1 1 1 37 ALA H . 37 . HN 1 1 342 1 2 1 1 37 ALA MB . 37 . HB# 1 1 343 1 1 1 1 37 ALA HA . 37 . HA 1 1 343 1 2 1 1 38 CYS H . 38 . HN 1 1 344 1 1 1 1 37 ALA MB . 37 . HB# 1 1 344 1 2 1 1 38 CYS H . 38 . HN 1 1 345 1 1 1 1 38 CYS HA . 38 . HA 1 1 345 1 2 1 1 39 ALA H . 39 . HN 1 1 346 1 1 1 1 38 CYS QB . 38 . HB# 1 1 346 1 2 1 1 39 ALA H . 39 . HN 1 1 347 1 1 1 1 39 ALA H . 39 . HN 1 1 347 1 2 1 1 39 ALA MB . 39 . HB# 1 1 348 1 1 1 1 39 ALA HA . 39 . HA 1 1 348 1 2 1 1 40 ALA H . 40 . HN 1 1 349 1 1 1 1 39 ALA MB . 39 . HB# 1 1 349 1 2 1 1 40 ALA H . 40 . HN 1 1 350 1 1 1 1 39 ALA MB . 39 . HB# 1 1 350 1 2 1 1 44 ASN QB . 44 . HB# 1 1 351 1 1 1 1 39 ALA MB . 39 . HB# 1 1 351 1 2 1 1 44 ASN QD . 44 . HD2# 1 1 352 1 1 1 1 40 ALA H . 40 . HN 1 1 352 1 2 1 1 40 ALA MB . 40 . HB# 1 1 353 1 1 1 1 40 ALA HA . 40 . HA 1 1 353 1 2 1 1 41 LYS H . 41 . HN 1 1 354 1 1 1 1 40 ALA MB . 40 . HB# 1 1 354 1 2 1 1 41 LYS H . 41 . HN 1 1 355 1 1 1 1 40 ALA MB . 40 . HB# 1 1 355 1 2 1 1 43 ASN H . 43 . HN 1 1 356 1 1 1 1 40 ALA MB . 40 . HB# 1 1 356 1 2 1 1 43 ASN HB2 . 43 . HB2 1 1 357 1 1 1 1 40 ALA MB . 40 . HB# 1 1 357 1 2 1 1 43 ASN HB3 . 43 . HB1 1 1 358 1 1 1 1 41 LYS H . 41 . HN 1 1 358 1 2 1 1 41 LYS QB . 41 . HB# 1 1 359 1 1 1 1 41 LYS HA . 41 . HA 1 1 359 1 2 1 1 42 ARG QG . 42 . HG# 1 1 360 1 1 1 1 41 LYS QB . 41 . HB# 1 1 360 1 2 1 1 42 ARG H . 42 . HN 1 1 361 1 1 1 1 42 ARG H . 42 . HN 1 1 361 1 2 1 1 42 ARG HA . 42 . HA 1 1 362 1 1 1 1 42 ARG H . 42 . HN 1 1 362 1 2 1 1 42 ARG QG . 42 . HG# 1 1 363 1 1 1 1 42 ARG H . 42 . HN 1 1 363 1 2 1 1 43 ASN H . 43 . HN 1 1 364 1 1 1 1 42 ARG HA . 42 . HA 1 1 364 1 2 1 1 42 ARG QG . 42 . HG# 1 1 365 1 1 1 1 42 ARG QB . 42 . HB# 1 1 365 1 2 1 1 42 ARG HE . 42 . HE 1 1 366 1 1 1 1 42 ARG QB . 42 . HB# 1 1 366 1 2 1 1 43 ASN H . 43 . HN 1 1 367 1 1 1 1 42 ARG QB . 42 . HB# 1 1 367 1 2 1 1 42 ARG QD . 42 . HD# 1 1 368 1 1 1 1 42 ARG QD . 42 . HD# 1 1 368 1 2 1 1 42 ARG QG . 42 . HG# 1 1 369 1 1 1 1 43 ASN H . 43 . HN 1 1 369 1 2 1 1 43 ASN HA . 43 . HA 1 1 370 1 1 1 1 43 ASN H . 43 . HN 1 1 370 1 2 1 1 43 ASN HB2 . 43 . HB2 1 1 371 1 1 1 1 43 ASN H . 43 . HN 1 1 371 1 2 1 1 43 ASN HB3 . 43 . HB1 1 1 372 1 1 1 1 43 ASN H . 43 . HN 1 1 372 1 2 1 1 44 ASN H . 44 . HN 1 1 373 1 1 1 1 43 ASN HA . 43 . HA 1 1 373 1 2 1 1 43 ASN HB2 . 43 . HB2 1 1 374 1 1 1 1 43 ASN HA . 43 . HA 1 1 374 1 2 1 1 44 ASN H . 44 . HN 1 1 375 1 1 1 1 43 ASN HA . 43 . HA 1 1 375 1 2 1 1 45 PHE QD . 45 . HD# 1 1 376 1 1 1 1 44 ASN H . 44 . HN 1 1 376 1 2 1 1 44 ASN QB . 44 . HB# 1 1 377 1 1 1 1 44 ASN H . 44 . HN 1 1 377 1 2 1 1 45 PHE H . 45 . HN 1 1 378 1 1 1 1 44 ASN HA . 44 . HA 1 1 378 1 2 1 1 44 ASN QD . 44 . HD2# 1 1 379 1 1 1 1 44 ASN HA . 44 . HA 1 1 379 1 2 1 1 45 PHE H . 45 . HN 1 1 380 1 1 1 1 44 ASN HA . 44 . HA 1 1 380 1 2 1 1 45 PHE QD . 45 . HD# 1 1 381 1 1 1 1 45 PHE H . 45 . HN 1 1 381 1 2 1 1 45 PHE HB3 . 45 . HB1 1 1 382 1 1 1 1 45 PHE H . 45 . HN 1 1 382 1 2 1 1 45 PHE QD . 45 . HD# 1 1 383 1 1 1 1 45 PHE H . 45 . HN 1 1 383 1 2 1 1 51 CYS H . 51 . HN 1 1 384 1 1 1 1 45 PHE HA . 45 . HA 1 1 384 1 2 1 1 45 PHE HB3 . 45 . HB1 1 1 385 1 1 1 1 45 PHE HA . 45 . HA 1 1 385 1 2 1 1 45 PHE QD . 45 . HD# 1 1 386 1 1 1 1 45 PHE HA . 45 . HA 1 1 386 1 2 1 1 46 LYS H . 46 . HN 1 1 387 1 1 1 1 45 PHE HA . 45 . HA 1 1 387 1 2 1 1 47 SER H . 47 . HN 1 1 388 1 1 1 1 45 PHE HB2 . 45 . HB2 1 1 388 1 2 1 1 46 LYS H . 46 . HN 1 1 389 1 1 1 1 45 PHE HB2 . 45 . HB2 1 1 389 1 2 1 1 47 SER H . 47 . HN 1 1 390 1 1 1 1 45 PHE HB3 . 45 . HB1 1 1 390 1 2 1 1 46 LYS H . 46 . HN 1 1 391 1 1 1 1 45 PHE HB3 . 45 . HB1 1 1 391 1 2 1 1 47 SER H . 47 . HN 1 1 392 1 1 1 1 45 PHE HB3 . 45 . HB1 1 1 392 1 2 1 1 51 CYS H . 51 . HN 1 1 393 1 1 1 1 45 PHE QD . 45 . HD# 1 1 393 1 2 1 1 46 LYS H . 46 . HN 1 1 394 1 1 1 1 45 PHE QD . 45 . HD# 1 1 394 1 2 1 1 51 CYS HA . 51 . HA 1 1 395 1 1 1 1 45 PHE QD . 45 . HD# 1 1 395 1 2 1 1 51 CYS HB3 . 51 . HB1 1 1 396 1 1 1 1 45 PHE QE . 45 . HE# 1 1 396 1 2 1 1 54 THR MG . 54 . HG2# 1 1 397 1 1 1 1 45 PHE HZ . 45 . HZ 1 1 397 1 2 1 1 51 CYS HA . 51 . HA 1 1 398 1 1 1 1 45 PHE HZ . 45 . HZ 1 1 398 1 2 1 1 54 THR HB . 54 . HB 1 1 399 1 1 1 1 45 PHE HZ . 45 . HZ 1 1 399 1 2 1 1 54 THR MG . 54 . HG2# 1 1 400 1 1 1 1 46 LYS H . 46 . HN 1 1 400 1 2 1 1 46 LYS QG . 46 . HG# 1 1 401 1 1 1 1 46 LYS H . 46 . HN 1 1 401 1 2 1 1 47 SER H . 47 . HN 1 1 402 1 1 1 1 46 LYS HA . 46 . HA 1 1 402 1 2 1 1 46 LYS QG . 46 . HG# 1 1 403 1 1 1 1 46 LYS HA . 46 . HA 1 1 403 1 2 1 1 47 SER H . 47 . HN 1 1 404 1 1 1 1 46 LYS QB . 46 . HB# 1 1 404 1 2 1 1 47 SER H . 47 . HN 1 1 405 1 1 1 1 47 SER H . 47 . HN 1 1 405 1 2 1 1 47 SER HB3 . 47 . HB1 1 1 406 1 1 1 1 47 SER H . 47 . HN 1 1 406 1 2 1 1 48 ALA HA . 48 . HA 1 1 407 1 1 1 1 47 SER H . 47 . HN 1 1 407 1 2 1 1 50 ASP H . 50 . HN 1 1 408 1 1 1 1 47 SER HA . 47 . HA 1 1 408 1 2 1 1 47 SER HB2 . 47 . HB2 1 1 409 1 1 1 1 47 SER HA . 47 . HA 1 1 409 1 2 1 1 48 ALA H . 48 . HN 1 1 410 1 1 1 1 47 SER HA . 47 . HA 1 1 410 1 2 1 1 48 ALA MB . 48 . HB# 1 1 411 1 1 1 1 47 SER HA . 47 . HA 1 1 411 1 2 1 1 49 GLU H . 49 . HN 1 1 412 1 1 1 1 47 SER HB2 . 47 . HB2 1 1 412 1 2 1 1 48 ALA MB . 48 . HB# 1 1 413 1 1 1 1 47 SER HB2 . 47 . HB2 1 1 413 1 2 1 1 49 GLU H . 49 . HN 1 1 414 1 1 1 1 47 SER HB2 . 47 . HB2 1 1 414 1 2 1 1 50 ASP H . 50 . HN 1 1 415 1 1 1 1 47 SER HB2 . 47 . HB2 1 1 415 1 2 1 1 51 CYS H . 51 . HN 1 1 416 1 1 1 1 47 SER HB3 . 47 . HB1 1 1 416 1 2 1 1 48 ALA H . 48 . HN 1 1 417 1 1 1 1 47 SER HB3 . 47 . HB1 1 1 417 1 2 1 1 50 ASP H . 50 . HN 1 1 418 1 1 1 1 48 ALA H . 48 . HN 1 1 418 1 2 1 1 48 ALA MB . 48 . HB# 1 1 419 1 1 1 1 48 ALA HA . 48 . HA 1 1 419 1 2 1 1 49 GLU H . 49 . HN 1 1 420 1 1 1 1 48 ALA HA . 48 . HA 1 1 420 1 2 1 1 50 ASP H . 50 . HN 1 1 421 1 1 1 1 48 ALA HA . 48 . HA 1 1 421 1 2 1 1 51 CYS H . 51 . HN 1 1 422 1 1 1 1 48 ALA HA . 48 . HA 1 1 422 1 2 1 1 52 LEU H . 52 . HN 1 1 423 1 1 1 1 48 ALA MB . 48 . HB# 1 1 423 1 2 1 1 49 GLU H . 49 . HN 1 1 424 1 1 1 1 48 ALA MB . 48 . HB# 1 1 424 1 2 1 1 49 GLU HA . 49 . HA 1 1 425 1 1 1 1 49 GLU H . 49 . HN 1 1 425 1 2 1 1 49 GLU HA . 49 . HA 1 1 426 1 1 1 1 49 GLU H . 49 . HN 1 1 426 1 2 1 1 49 GLU QB . 49 . HB# 1 1 427 1 1 1 1 49 GLU H . 49 . HN 1 1 427 1 2 1 1 50 ASP H . 50 . HN 1 1 428 1 1 1 1 49 GLU HA . 49 . HA 1 1 428 1 2 1 1 49 GLU QG . 49 . HG# 1 1 429 1 1 1 1 49 GLU HA . 49 . HA 1 1 429 1 2 1 1 50 ASP H . 50 . HN 1 1 430 1 1 1 1 49 GLU HA . 49 . HA 1 1 430 1 2 1 1 52 LEU H . 52 . HN 1 1 431 1 1 1 1 49 GLU HA . 49 . HA 1 1 431 1 2 1 1 52 LEU QB . 52 . HB# 1 1 432 1 1 1 1 49 GLU HA . 49 . HA 1 1 432 1 2 1 1 52 LEU MD1 . 52 . HD1# 1 1 433 1 1 1 1 49 GLU HA . 49 . HA 1 1 433 1 2 1 1 52 LEU MD2 . 52 . HD2# 1 1 434 1 1 1 1 49 GLU QB . 49 . HB# 1 1 434 1 2 1 1 49 GLU QG . 49 . HG# 1 1 435 1 1 1 1 49 GLU QB . 49 . HB# 1 1 435 1 2 1 1 50 ASP H . 50 . HN 1 1 436 1 1 1 1 50 ASP H . 50 . HN 1 1 436 1 2 1 1 50 ASP QB . 50 . HB# 1 1 437 1 1 1 1 50 ASP H . 50 . HN 1 1 437 1 2 1 1 51 CYS H . 51 . HN 1 1 438 1 1 1 1 50 ASP HA . 50 . HA 1 1 438 1 2 1 1 51 CYS H . 51 . HN 1 1 439 1 1 1 1 51 CYS H . 51 . HN 1 1 439 1 2 1 1 51 CYS HA . 51 . HA 1 1 440 1 1 1 1 51 CYS H . 51 . HN 1 1 440 1 2 1 1 51 CYS HB3 . 51 . HB1 1 1 441 1 1 1 1 51 CYS H . 51 . HN 1 1 441 1 2 1 1 52 LEU H . 52 . HN 1 1 442 1 1 1 1 51 CYS H . 51 . HN 1 1 442 1 2 1 1 52 LEU HG . 52 . HG 1 1 443 1 1 1 1 51 CYS HA . 51 . HA 1 1 443 1 2 1 1 52 LEU H . 52 . HN 1 1 444 1 1 1 1 51 CYS HA . 51 . HA 1 1 444 1 2 1 1 54 THR H . 54 . HN 1 1 445 1 1 1 1 51 CYS HA . 51 . HA 1 1 445 1 2 1 1 55 CYS H . 55 . HN 1 1 446 1 1 1 1 51 CYS HB3 . 51 . HB1 1 1 446 1 2 1 1 52 LEU H . 52 . HN 1 1 447 1 1 1 1 52 LEU H . 52 . HN 1 1 447 1 2 1 1 52 LEU QB . 52 . HB# 1 1 448 1 1 1 1 52 LEU H . 52 . HN 1 1 448 1 2 1 1 52 LEU HG . 52 . HG 1 1 449 1 1 1 1 52 LEU H . 52 . HN 1 1 449 1 2 1 1 52 LEU MD1 . 52 . HD1# 1 1 450 1 1 1 1 52 LEU H . 52 . HN 1 1 450 1 2 1 1 52 LEU MD2 . 52 . HD2# 1 1 451 1 1 1 1 52 LEU H . 52 . HN 1 1 451 1 2 1 1 53 ARG H . 53 . HN 1 1 452 1 1 1 1 52 LEU HA . 52 . HA 1 1 452 1 2 1 1 52 LEU MD1 . 52 . HD1# 1 1 453 1 1 1 1 52 LEU HA . 52 . HA 1 1 453 1 2 1 1 52 LEU MD2 . 52 . HD2# 1 1 454 1 1 1 1 52 LEU HA . 52 . HA 1 1 454 1 2 1 1 53 ARG H . 53 . HN 1 1 455 1 1 1 1 52 LEU HA . 52 . HA 1 1 455 1 2 1 1 56 GLY H . 56 . HN 1 1 456 1 1 1 1 52 LEU QB . 52 . HB# 1 1 456 1 2 1 1 52 LEU MD1 . 52 . HD1# 1 1 457 1 1 1 1 52 LEU QB . 52 . HB# 1 1 457 1 2 1 1 52 LEU MD2 . 52 . HD2# 1 1 458 1 1 1 1 52 LEU QB . 52 . HB# 1 1 458 1 2 1 1 53 ARG H . 53 . HN 1 1 459 1 1 1 1 52 LEU MD1 . 52 . HD1# 1 1 459 1 2 1 1 53 ARG H . 53 . HN 1 1 460 1 1 1 1 52 LEU MD1 . 52 . HD1# 1 1 460 1 2 1 1 56 GLY QA . 56 . HA# 1 1 461 1 1 1 1 52 LEU MD2 . 52 . HD2# 1 1 461 1 2 1 1 53 ARG H . 53 . HN 1 1 462 1 1 1 1 52 LEU MD2 . 52 . HD2# 1 1 462 1 2 1 1 56 GLY H . 56 . HN 1 1 463 1 1 1 1 52 LEU MD2 . 52 . HD2# 1 1 463 1 2 1 1 56 GLY QA . 56 . HA# 1 1 464 1 1 1 1 53 ARG H . 53 . HN 1 1 464 1 2 1 1 53 ARG HA . 53 . HA 1 1 465 1 1 1 1 53 ARG H . 53 . HN 1 1 465 1 2 1 1 53 ARG QG . 53 . HG# 1 1 466 1 1 1 1 53 ARG H . 53 . HN 1 1 466 1 2 1 1 53 ARG QD . 53 . HD# 1 1 467 1 1 1 1 53 ARG H . 53 . HN 1 1 467 1 2 1 1 54 THR H . 54 . HN 1 1 468 1 1 1 1 53 ARG HA . 53 . HA 1 1 468 1 2 1 1 53 ARG QG . 53 . HG# 1 1 469 1 1 1 1 53 ARG HA . 53 . HA 1 1 469 1 2 1 1 53 ARG QD . 53 . HD# 1 1 470 1 1 1 1 53 ARG QB . 53 . HB# 1 1 470 1 2 1 1 54 THR H . 54 . HN 1 1 471 1 1 1 1 53 ARG QD . 53 . HD# 1 1 471 1 2 1 1 53 ARG QG . 53 . HG# 1 1 472 1 1 1 1 54 THR H . 54 . HN 1 1 472 1 2 1 1 54 THR HA . 54 . HA 1 1 473 1 1 1 1 54 THR H . 54 . HN 1 1 473 1 2 1 1 54 THR HB . 54 . HB 1 1 474 1 1 1 1 54 THR H . 54 . HN 1 1 474 1 2 1 1 55 CYS H . 55 . HN 1 1 475 1 1 1 1 54 THR H . 54 . HN 1 1 475 1 2 1 1 56 GLY H . 56 . HN 1 1 476 1 1 1 1 54 THR HA . 54 . HA 1 1 476 1 2 1 1 54 THR MG . 54 . HG2# 1 1 477 1 1 1 1 54 THR HB . 54 . HB 1 1 477 1 2 1 1 55 CYS H . 55 . HN 1 1 478 1 1 1 1 55 CYS H . 55 . HN 1 1 478 1 2 1 1 55 CYS HA . 55 . HA 1 1 479 1 1 1 1 55 CYS H . 55 . HN 1 1 479 1 2 1 1 55 CYS QB . 55 . HB# 1 1 480 1 1 1 1 55 CYS HA . 55 . HA 1 1 480 1 2 1 1 56 GLY H . 56 . HN 1 1 481 1 1 1 1 56 GLY H . 56 . HN 1 1 481 1 2 1 1 56 GLY QA . 56 . HA# 1 1 482 1 1 1 1 56 GLY QA . 56 . HA# 1 1 482 1 2 1 1 57 GLY H . 57 . HN 1 1 483 1 1 1 1 57 GLY QA . 57 . HA# 1 1 483 1 2 1 1 58 ALA H . 58 . HN 1 1 484 1 1 1 1 58 ALA H . 58 . HN 1 1 484 1 2 1 1 58 ALA MB . 58 . HB# 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 . . . . . 1.8 1.8 2.93 1 1 2 1 . . . . . 1.8 1.8 2.52 1 1 3 1 . . . . . 1.8 1.8 5.31 1 1 4 1 . . . . . 1.8 1.8 4.88 1 1 5 1 . . . . . 1.8 1.8 3.76 1 1 6 1 . . . . . 1.8 1.8 6.47 1 1 7 1 . . . . . 1.8 1.8 7.63 1 1 8 1 . . . . . 1.8 1.8 6.53 1 1 9 1 . . . . . 1.8 1.8 7.63 1 1 10 1 . . . . . 1.8 1.8 2.77 1 1 11 1 . . . . . 1.8 1.8 2.49 1 1 12 1 . . . . . 1.8 1.8 4.26 1 1 13 1 . . . . . 1.8 1.8 3.83 1 1 14 1 . . . . . 1.8 1.8 7.62 1 1 15 1 . . . . . 1.8 1.8 7.5 1 1 16 1 . . . . . 1.8 1.8 3.58 1 1 17 1 . . . . . 1.8 1.8 3.73 1 1 18 1 . . . . . 1.8 1.8 4.91 1 1 19 1 . . . . . 1.8 1.8 7.62 1 1 20 1 . . . . . 1.8 1.8 6.72 1 1 21 1 . . . . . 1.8 1.8 5.5 1 1 22 1 . . . . . 1.8 1.8 2.96 1 1 23 1 . . . . . 1.8 1.8 4.26 1 1 24 1 . . . . . 1.8 1.8 3.14 1 1 25 1 . . . . . 1.8 1.8 2.65 1 1 26 1 . . . . . 1.8 1.8 3.79 1 1 27 1 . . . . . 1.8 1.8 3.61 1 1 28 1 . . . . . 1.8 1.8 2.74 1 1 29 1 . . . . . 1.8 1.8 4.86 1 1 30 1 . . . . . 1.8 1.8 5.48 1 1 31 1 . . . . . 1.8 1.8 7.4 1 1 32 1 . . . . . 1.8 1.8 7.25 1 1 33 1 . . . . . 1.8 1.8 3.14 1 1 34 1 . . . . . 1.8 1.8 3.08 1 1 35 1 . . . . . 1.8 1.8 5.95 1 1 36 1 . . . . . 1.8 1.8 3.17 1 1 37 1 . . . . . 1.8 1.8 2.59 1 1 38 1 . . . . . 1.8 1.8 2.43 1 1 39 1 . . . . . 1.8 1.8 6.88 1 1 40 1 . . . . . 1.8 1.8 4.48 1 1 41 1 . . . . . 1.8 1.8 5.5 1 1 42 1 . . . . . 1.8 1.8 4.79 1 1 43 1 . . . . . 1.8 1.8 5.38 1 1 44 1 . . . . . 1.8 1.8 3.73 1 1 45 1 . . . . . 1.8 1.8 4.63 1 1 46 1 . . . . . 1.8 1.8 5.5 1 1 47 1 . . . . . 1.8 1.8 6.1 1 1 48 1 . . . . . 1.8 1.8 7.62 1 1 49 1 . . . . . 1.8 1.8 7.13 1 1 50 1 . . . . . 1.8 1.8 7.03 1 1 51 1 . . . . . 1.8 1.8 6.69 1 1 52 1 . . . . . 1.8 1.8 7.62 1 1 53 1 . . . . . 1.8 1.8 7.62 1 1 54 1 . . . . . 1.8 1.8 2.77 1 1 55 1 . . . . . 1.8 1.8 2.49 1 1 56 1 . . . . . 1.8 1.8 4.6 1 1 57 1 . . . . . 1.8 1.8 6.52 1 1 58 1 . . . . . 1.8 1.8 6.73 1 1 59 1 . . . . . 1.8 1.8 3.71 1 1 60 1 . . . . . 1.8 1.8 2.74 1 1 61 1 . . . . . 1.8 1.8 5.81 1 1 62 1 . . . . . 1.8 1.8 6.53 1 1 63 1 . . . . . 1.8 1.8 2.4 1 1 64 1 . . . . . 1.8 1.8 3.68 1 1 65 1 . . . . . 1.8 1.8 5.13 1 1 66 1 . . . . . 1.8 1.8 5.11 1 1 67 1 . . . . . 1.8 1.8 5.79 1 1 68 1 . . . . . 1.8 1.8 5.11 1 1 69 1 . . . . . 1.8 1.8 3.3 1 1 70 1 . . . . . 1.8 1.8 4.92 1 1 71 1 . . . . . 1.8 1.8 5.5 1 1 72 1 . . . . . 1.8 1.8 6.38 1 1 73 1 . . . . . 1.8 1.8 2.86 1 1 74 1 . . . . . 1.8 1.8 4.11 1 1 75 1 . . . . . 1.8 1.8 5.47 1 1 76 1 . . . . . 1.8 1.8 4.18 1 1 77 1 . . . . . 1.8 1.8 7.62 1 1 78 1 . . . . . 1.8 1.8 7.25 1 1 79 1 . . . . . 1.8 1.8 2.83 1 1 80 1 . . . . . 1.8 1.8 5.26 1 1 81 1 . . . . . 1.8 1.8 3.17 1 1 82 1 . . . . . 1.8 1.8 3.17 1 1 83 1 . . . . . 1.8 1.8 7.62 1 1 84 1 . . . . . 1.8 1.8 5.66 1 1 85 1 . . . . . 1.8 1.8 6.38 1 1 86 1 . . . . . 1.8 1.8 4.8 1 1 87 1 . . . . . 1.8 1.8 7.62 1 1 88 1 . . . . . 1.8 1.8 7.62 1 1 89 1 . . . . . 1.8 1.8 7.85 1 1 90 1 . . . . . 1.8 1.8 3.42 1 1 91 1 . . . . . 1.8 1.8 4.26 1 1 92 1 . . . . . 1.8 1.8 2.65 1 1 93 1 . . . . . 1.8 1.8 6.15 1 1 94 1 . . . . . 1.8 1.8 2.77 1 1 95 1 . . . . . 1.8 1.8 3.48 1 1 96 1 . . . . . 1.8 1.8 7.64 1 1 97 1 . . . . . 1.8 1.8 8.67 1 1 98 1 . . . . . 1.8 1.8 7.64 1 1 99 1 . . . . . 1.8 1.8 8.02 1 1 100 1 . . . . . 1.8 1.8 7.63 1 1 101 1 . . . . . 1.8 1.8 7.63 1 1 102 1 . . . . . 1.8 1.8 7.04 1 1 103 1 . . . . . 1.8 1.8 6.08 1 1 104 1 . . . . . 1.8 1.8 8.66 1 1 105 1 . . . . . 1.8 1.8 3.95 1 1 106 1 . . . . . 1.8 1.8 2.59 1 1 107 1 . . . . . 1.8 1.8 4.76 1 1 108 1 . . . . . 1.8 1.8 5.5 1 1 109 1 . . . . . 1.8 1.8 2.8 1 1 110 1 . . . . . 1.8 1.8 3.55 1 1 111 1 . . . . . 1.8 1.8 2.46 1 1 112 1 . . . . . 1.8 1.8 2.52 1 1 113 1 . . . . . 1.8 1.8 3.61 1 1 114 1 . . . . . 1.8 1.8 4.54 1 1 115 1 . . . . . 1.8 1.8 2.83 1 1 116 1 . . . . . 1.8 1.8 5.29 1 1 117 1 . . . . . 1.8 1.8 3.73 1 1 118 1 . . . . . 1.8 1.8 4.54 1 1 119 1 . . . . . 1.8 1.8 5.5 1 1 120 1 . . . . . 1.8 1.8 2.52 1 1 121 1 . . . . . 1.8 1.8 3.7 1 1 122 1 . . . . . 1.8 1.8 3.92 1 1 123 1 . . . . . 1.8 1.8 5.5 1 1 124 1 . . . . . 1.8 1.8 2.65 1 1 125 1 . . . . . 1.8 1.8 5.31 1 1 126 1 . . . . . 1.8 1.8 6.38 1 1 127 1 . . . . . 1.8 1.8 2.96 1 1 128 1 . . . . . 1.8 1.8 7.39 1 1 129 1 . . . . . 1.8 1.8 4.02 1 1 130 1 . . . . . 1.8 1.8 5.79 1 1 131 1 . . . . . 1.8 1.8 4.23 1 1 132 1 . . . . . 1.8 1.8 2.4 1 1 133 1 . . . . . 1.8 1.8 4.2 1 1 134 1 . . . . . 1.8 1.8 2.62 1 1 135 1 . . . . . 1.8 1.8 3.77 1 1 136 1 . . . . . 1.8 1.8 3.36 1 1 137 1 . . . . . 1.8 1.8 2.62 1 1 138 1 . . . . . 1.8 1.8 4.79 1 1 139 1 . . . . . 1.8 1.8 6.53 1 1 140 1 . . . . . 1.8 1.8 8.65 1 1 141 1 . . . . . 1.8 1.8 4.05 1 1 142 1 . . . . . 1.8 1.8 5.0 1 1 143 1 . . . . . 1.8 1.8 2.62 1 1 144 1 . . . . . 1.8 1.8 3.08 1 1 145 1 . . . . . 1.8 1.8 3.86 1 1 146 1 . . . . . 1.8 1.8 3.67 1 1 147 1 . . . . . 1.8 1.8 7.63 1 1 148 1 . . . . . 1.8 1.8 5.01 1 1 149 1 . . . . . 1.8 1.8 3.52 1 1 150 1 . . . . . 1.8 1.8 3.92 1 1 151 1 . . . . . 1.8 1.8 4.57 1 1 152 1 . . . . . 1.8 1.8 6.53 1 1 153 1 . . . . . 1.8 1.8 2.55 1 1 154 1 . . . . . 1.8 1.8 7.63 1 1 155 1 . . . . . 1.8 1.8 7.62 1 1 156 1 . . . . . 1.8 1.8 3.55 1 1 157 1 . . . . . 1.8 1.8 6.75 1 1 158 1 . . . . . 1.8 1.8 3.36 1 1 159 1 . . . . . 1.8 1.8 2.59 1 1 160 1 . . . . . 1.8 1.8 7.09 1 1 161 1 . . . . . 1.8 1.8 6.85 1 1 162 1 . . . . . 1.8 1.8 4.01 1 1 163 1 . . . . . 1.8 1.8 3.77 1 1 164 1 . . . . . 1.8 1.8 7.62 1 1 165 1 . . . . . 1.8 1.8 3.48 1 1 166 1 . . . . . 1.8 1.8 5.41 1 1 167 1 . . . . . 1.8 1.8 2.55 1 1 168 1 . . . . . 1.8 1.8 7.62 1 1 169 1 . . . . . 1.8 1.8 4.23 1 1 170 1 . . . . . 1.8 1.8 3.33 1 1 171 1 . . . . . 1.8 1.8 6.53 1 1 172 1 . . . . . 1.8 1.8 7.62 1 1 173 1 . . . . . 1.8 1.8 3.99 1 1 174 1 . . . . . 1.8 1.8 6.38 1 1 175 1 . . . . . 1.8 1.8 6.38 1 1 176 1 . . . . . 1.8 1.8 5.79 1 1 177 1 . . . . . 1.8 1.8 8.5 1 1 178 1 . . . . . 1.8 1.8 5.45 1 1 179 1 . . . . . 1.8 1.8 3.59 1 1 180 1 . . . . . 1.8 1.8 6.38 1 1 181 1 . . . . . 1.8 1.8 6.65 1 1 182 1 . . . . . 1.8 1.8 6.8 1 1 183 1 . . . . . 1.8 1.8 7.49 1 1 184 1 . . . . . 1.8 1.8 7.64 1 1 185 1 . . . . . 1.8 1.8 7.37 1 1 186 1 . . . . . 1.8 1.8 7.63 1 1 187 1 . . . . . 1.8 1.8 6.64 1 1 188 1 . . . . . 1.8 1.8 6.33 1 1 189 1 . . . . . 1.8 1.8 7.63 1 1 190 1 . . . . . 1.8 1.8 7.63 1 1 191 1 . . . . . 1.8 1.8 6.74 1 1 192 1 . . . . . 1.8 1.8 5.95 1 1 193 1 . . . . . 1.8 1.8 4.38 1 1 194 1 . . . . . 1.8 1.8 3.36 1 1 195 1 . . . . . 1.8 1.8 4.51 1 1 196 1 . . . . . 1.8 1.8 2.46 1 1 197 1 . . . . . 1.8 1.8 2.68 1 1 198 1 . . . . . 1.8 1.8 2.86 1 1 199 1 . . . . . 1.8 1.8 3.14 1 1 200 1 . . . . . 1.8 1.8 5.31 1 1 201 1 . . . . . 1.8 1.8 3.67 1 1 202 1 . . . . . 1.8 1.8 4.38 1 1 203 1 . . . . . 1.8 1.8 7.62 1 1 204 1 . . . . . 1.8 1.8 6.32 1 1 205 1 . . . . . 1.8 1.8 7.62 1 1 206 1 . . . . . 1.8 1.8 7.62 1 1 207 1 . . . . . 1.8 1.8 9.74 1 1 208 1 . . . . . 1.8 1.8 6.29 1 1 209 1 . . . . . 1.8 1.8 7.62 1 1 210 1 . . . . . 1.8 1.8 7.62 1 1 211 1 . . . . . 1.8 1.8 7.62 1 1 212 1 . . . . . 1.8 1.8 8.65 1 1 213 1 . . . . . 1.8 1.8 2.99 1 1 214 1 . . . . . 1.8 1.8 3.14 1 1 215 1 . . . . . 1.8 1.8 5.5 1 1 216 1 . . . . . 1.8 1.8 7.62 1 1 217 1 . . . . . 1.8 1.8 5.44 1 1 218 1 . . . . . 1.8 1.8 2.4 1 1 219 1 . . . . . 1.8 1.8 2.4 1 1 220 1 . . . . . 1.8 1.8 4.69 1 1 221 1 . . . . . 1.8 1.8 4.01 1 1 222 1 . . . . . 1.8 1.8 5.5 1 1 223 1 . . . . . 1.8 1.8 3.14 1 1 224 1 . . . . . 1.8 1.8 5.07 1 1 225 1 . . . . . 1.8 1.8 5.5 1 1 226 1 . . . . . 1.8 1.8 7.64 1 1 227 1 . . . . . 1.8 1.8 7.64 1 1 228 1 . . . . . 1.8 1.8 7.64 1 1 229 1 . . . . . 1.8 1.8 8.67 1 1 230 1 . . . . . 1.8 1.8 7.64 1 1 231 1 . . . . . 1.8 1.8 7.63 1 1 232 1 . . . . . 1.8 1.8 7.63 1 1 233 1 . . . . . 1.8 1.8 4.59 1 1 234 1 . . . . . 1.8 1.8 7.63 1 1 235 1 . . . . . 1.8 1.8 6.7 1 1 236 1 . . . . . 1.8 1.8 7.42 1 1 237 1 . . . . . 1.8 1.8 7.63 1 1 238 1 . . . . . 1.8 1.8 8.66 1 1 239 1 . . . . . 1.8 1.8 3.08 1 1 240 1 . . . . . 1.8 1.8 2.77 1 1 241 1 . . . . . 1.8 1.8 4.07 1 1 242 1 . . . . . 1.8 1.8 2.93 1 1 243 1 . . . . . 1.8 1.8 2.77 1 1 244 1 . . . . . 1.8 1.8 2.68 1 1 245 1 . . . . . 1.8 1.8 3.95 1 1 246 1 . . . . . 1.8 1.8 3.02 1 1 247 1 . . . . . 1.8 1.8 5.85 1 1 248 1 . . . . . 1.8 1.8 5.5 1 1 249 1 . . . . . 1.8 1.8 3.7 1 1 250 1 . . . . . 1.8 1.8 4.17 1 1 251 1 . . . . . 1.8 1.8 5.23 1 1 252 1 . . . . . 1.8 1.8 4.11 1 1 253 1 . . . . . 1.8 1.8 5.44 1 1 254 1 . . . . . 1.8 1.8 5.47 1 1 255 1 . . . . . 1.8 1.8 4.02 1 1 256 1 . . . . . 1.8 1.8 3.45 1 1 257 1 . . . . . 1.8 1.8 3.52 1 1 258 1 . . . . . 1.8 1.8 3.55 1 1 259 1 . . . . . 1.8 1.8 4.2 1 1 260 1 . . . . . 1.8 1.8 2.99 1 1 261 1 . . . . . 1.8 1.8 5.28 1 1 262 1 . . . . . 1.8 1.8 2.9 1 1 263 1 . . . . . 1.8 1.8 6.31 1 1 264 1 . . . . . 1.8 1.8 5.13 1 1 265 1 . . . . . 1.8 1.8 6.38 1 1 266 1 . . . . . 1.8 1.8 3.64 1 1 267 1 . . . . . 1.8 1.8 4.33 1 1 268 1 . . . . . 1.8 1.8 3.08 1 1 269 1 . . . . . 1.8 1.8 3.52 1 1 270 1 . . . . . 1.8 1.8 2.65 1 1 271 1 . . . . . 1.8 1.8 4.6 1 1 272 1 . . . . . 1.8 1.8 5.16 1 1 273 1 . . . . . 1.8 1.8 4.73 1 1 274 1 . . . . . 1.8 1.8 4.23 1 1 275 1 . . . . . 1.8 1.8 6.22 1 1 276 1 . . . . . 1.8 1.8 7.56 1 1 277 1 . . . . . 1.8 1.8 2.62 1 1 278 1 . . . . . 1.8 1.8 3.02 1 1 279 1 . . . . . 1.8 1.8 2.93 1 1 280 1 . . . . . 1.8 1.8 3.14 1 1 281 1 . . . . . 1.8 1.8 3.61 1 1 282 1 . . . . . 1.8 1.8 3.24 1 1 283 1 . . . . . 1.8 1.8 5.94 1 1 284 1 . . . . . 1.8 1.8 5.81 1 1 285 1 . . . . . 1.8 1.8 6.53 1 1 286 1 . . . . . 1.8 1.8 5.16 1 1 287 1 . . . . . 1.8 1.8 2.55 1 1 288 1 . . . . . 1.8 1.8 3.49 1 1 289 1 . . . . . 1.8 1.8 3.99 1 1 290 1 . . . . . 1.8 1.8 3.83 1 1 291 1 . . . . . 1.8 1.8 6.53 1 1 292 1 . . . . . 1.8 1.8 6.53 1 1 293 1 . . . . . 1.8 1.8 2.96 1 1 294 1 . . . . . 1.8 1.8 5.97 1 1 295 1 . . . . . 1.8 1.8 3.05 1 1 296 1 . . . . . 1.8 1.8 2.68 1 1 297 1 . . . . . 1.8 1.8 2.96 1 1 298 1 . . . . . 1.8 1.8 4.01 1 1 299 1 . . . . . 1.8 1.8 3.76 1 1 300 1 . . . . . 1.8 1.8 6.53 1 1 301 1 . . . . . 1.8 1.8 6.53 1 1 302 1 . . . . . 1.8 1.8 3.61 1 1 303 1 . . . . . 1.8 1.8 3.58 1 1 304 1 . . . . . 1.8 1.8 3.14 1 1 305 1 . . . . . 1.8 1.8 3.92 1 1 306 1 . . . . . 1.8 1.8 5.04 1 1 307 1 . . . . . 1.8 1.8 3.24 1 1 308 1 . . . . . 1.8 1.8 4.48 1 1 309 1 . . . . . 1.8 1.8 7.09 1 1 310 1 . . . . . 1.8 1.8 4.23 1 1 311 1 . . . . . 1.8 1.8 2.74 1 1 312 1 . . . . . 1.8 1.8 6.01 1 1 313 1 . . . . . 1.8 1.8 2.55 1 1 314 1 . . . . . 1.8 1.8 5.47 1 1 315 1 . . . . . 1.8 1.8 4.97 1 1 316 1 . . . . . 1.8 1.8 5.94 1 1 317 1 . . . . . 1.8 1.8 3.83 1 1 318 1 . . . . . 1.8 1.8 4.26 1 1 319 1 . . . . . 1.8 1.8 7.62 1 1 320 1 . . . . . 1.8 1.8 6.79 1 1 321 1 . . . . . 1.8 1.8 8.65 1 1 322 1 . . . . . 1.8 1.8 8.65 1 1 323 1 . . . . . 1.8 1.8 6.32 1 1 324 1 . . . . . 1.8 1.8 7.16 1 1 325 1 . . . . . 1.8 1.8 7.62 1 1 326 1 . . . . . 1.8 1.8 5.5 1 1 327 1 . . . . . 1.8 1.8 4.88 1 1 328 1 . . . . . 1.8 1.8 3.3 1 1 329 1 . . . . . 1.8 1.8 5.5 1 1 330 1 . . . . . 1.8 1.8 5.5 1 1 331 1 . . . . . 1.8 1.8 4.17 1 1 332 1 . . . . . 1.8 1.8 4.51 1 1 333 1 . . . . . 1.8 1.8 2.77 1 1 334 1 . . . . . 1.8 1.8 6.15 1 1 335 1 . . . . . 1.8 1.8 2.43 1 1 336 1 . . . . . 1.8 1.8 7.64 1 1 337 1 . . . . . 1.8 1.8 2.43 1 1 338 1 . . . . . 1.8 1.8 2.9 1 1 339 1 . . . . . 1.8 1.8 3.27 1 1 340 1 . . . . . 1.8 1.8 3.64 1 1 341 1 . . . . . 1.8 1.8 4.42 1 1 342 1 . . . . . 1.8 1.8 3.95 1 1 343 1 . . . . . 1.8 1.8 2.65 1 1 344 1 . . . . . 1.8 1.8 5.72 1 1 345 1 . . . . . 1.8 1.8 2.49 1 1 346 1 . . . . . 1.8 1.8 3.11 1 1 347 1 . . . . . 1.8 1.8 4.2 1 1 348 1 . . . . . 1.8 1.8 2.71 1 1 349 1 . . . . . 1.8 1.8 4.98 1 1 350 1 . . . . . 1.8 1.8 6.31 1 1 351 1 . . . . . 1.8 1.8 6.25 1 1 352 1 . . . . . 1.8 1.8 4.08 1 1 353 1 . . . . . 1.8 1.8 2.74 1 1 354 1 . . . . . 1.8 1.8 4.95 1 1 355 1 . . . . . 1.8 1.8 6.53 1 1 356 1 . . . . . 1.8 1.8 6.53 1 1 357 1 . . . . . 1.8 1.8 6.53 1 1 358 1 . . . . . 1.8 1.8 3.42 1 1 359 1 . . . . . 1.8 1.8 6.13 1 1 360 1 . . . . . 1.8 1.8 3.14 1 1 361 1 . . . . . 1.8 1.8 2.83 1 1 362 1 . . . . . 1.8 1.8 5.38 1 1 363 1 . . . . . 1.8 1.8 3.14 1 1 364 1 . . . . . 1.8 1.8 6.38 1 1 365 1 . . . . . 1.8 1.8 5.5 1 1 366 1 . . . . . 1.8 1.8 4.2 1 1 367 1 . . . . . 1.8 1.8 3.95 1 1 368 1 . . . . . 1.8 1.8 5.11 1 1 369 1 . . . . . 1.8 1.8 3.08 1 1 370 1 . . . . . 1.8 1.8 3.24 1 1 371 1 . . . . . 1.8 1.8 3.08 1 1 372 1 . . . . . 1.8 1.8 4.69 1 1 373 1 . . . . . 1.8 1.8 2.8 1 1 374 1 . . . . . 1.8 1.8 2.4 1 1 375 1 . . . . . 1.8 1.8 7.62 1 1 376 1 . . . . . 1.8 1.8 3.61 1 1 377 1 . . . . . 1.8 1.8 5.5 1 1 378 1 . . . . . 1.8 1.8 5.5 1 1 379 1 . . . . . 1.8 1.8 2.46 1 1 380 1 . . . . . 1.8 1.8 5.45 1 1 381 1 . . . . . 1.8 1.8 3.64 1 1 382 1 . . . . . 1.8 1.8 5.64 1 1 383 1 . . . . . 1.8 1.8 5.5 1 1 384 1 . . . . . 1.8 1.8 2.52 1 1 385 1 . . . . . 1.8 1.8 6.38 1 1 386 1 . . . . . 1.8 1.8 2.65 1 1 387 1 . . . . . 1.8 1.8 3.89 1 1 388 1 . . . . . 1.8 1.8 4.2 1 1 389 1 . . . . . 1.8 1.8 3.36 1 1 390 1 . . . . . 1.8 1.8 3.55 1 1 391 1 . . . . . 1.8 1.8 3.02 1 1 392 1 . . . . . 1.8 1.8 4.63 1 1 393 1 . . . . . 1.8 1.8 7.62 1 1 394 1 . . . . . 1.8 1.8 7.62 1 1 395 1 . . . . . 1.8 1.8 7.62 1 1 396 1 . . . . . 1.8 1.8 8.09 1 1 397 1 . . . . . 1.8 1.8 5.5 1 1 398 1 . . . . . 1.8 1.8 4.11 1 1 399 1 . . . . . 1.8 1.8 4.17 1 1 400 1 . . . . . 1.8 1.8 4.82 1 1 401 1 . . . . . 1.8 1.8 3.05 1 1 402 1 . . . . . 1.8 1.8 4.45 1 1 403 1 . . . . . 1.8 1.8 4.82 1 1 404 1 . . . . . 1.8 1.8 4.98 1 1 405 1 . . . . . 1.8 1.8 4.17 1 1 406 1 . . . . . 1.8 1.8 4.79 1 1 407 1 . . . . . 1.8 1.8 5.13 1 1 408 1 . . . . . 1.8 1.8 2.86 1 1 409 1 . . . . . 1.8 1.8 2.83 1 1 410 1 . . . . . 1.8 1.8 6.53 1 1 411 1 . . . . . 1.8 1.8 4.2 1 1 412 1 . . . . . 1.8 1.8 6.53 1 1 413 1 . . . . . 1.8 1.8 2.96 1 1 414 1 . . . . . 1.8 1.8 4.54 1 1 415 1 . . . . . 1.8 1.8 5.5 1 1 416 1 . . . . . 1.8 1.8 3.39 1 1 417 1 . . . . . 1.8 1.8 4.01 1 1 418 1 . . . . . 1.8 1.8 3.86 1 1 419 1 . . . . . 1.8 1.8 3.67 1 1 420 1 . . . . . 1.8 1.8 4.11 1 1 421 1 . . . . . 1.8 1.8 2.9 1 1 422 1 . . . . . 1.8 1.8 5.0 1 1 423 1 . . . . . 1.8 1.8 4.48 1 1 424 1 . . . . . 1.8 1.8 6.53 1 1 425 1 . . . . . 1.8 1.8 2.8 1 1 426 1 . . . . . 1.8 1.8 2.62 1 1 427 1 . . . . . 1.8 1.8 3.27 1 1 428 1 . . . . . 1.8 1.8 5.38 1 1 429 1 . . . . . 1.8 1.8 3.86 1 1 430 1 . . . . . 1.8 1.8 3.95 1 1 431 1 . . . . . 1.8 1.8 3.08 1 1 432 1 . . . . . 1.8 1.8 5.23 1 1 433 1 . . . . . 1.8 1.8 6.53 1 1 434 1 . . . . . 1.8 1.8 3.08 1 1 435 1 . . . . . 1.8 1.8 3.89 1 1 436 1 . . . . . 1.8 1.8 3.05 1 1 437 1 . . . . . 1.8 1.8 3.36 1 1 438 1 . . . . . 1.8 1.8 4.2 1 1 439 1 . . . . . 1.8 1.8 2.93 1 1 440 1 . . . . . 1.8 1.8 2.71 1 1 441 1 . . . . . 1.8 1.8 3.24 1 1 442 1 . . . . . 1.8 1.8 4.85 1 1 443 1 . . . . . 1.8 1.8 5.16 1 1 444 1 . . . . . 1.8 1.8 3.98 1 1 445 1 . . . . . 1.8 1.8 3.24 1 1 446 1 . . . . . 1.8 1.8 2.99 1 1 447 1 . . . . . 1.8 1.8 3.11 1 1 448 1 . . . . . 1.8 1.8 2.59 1 1 449 1 . . . . . 1.8 1.8 6.53 1 1 450 1 . . . . . 1.8 1.8 6.53 1 1 451 1 . . . . . 1.8 1.8 2.93 1 1 452 1 . . . . . 1.8 1.8 5.1 1 1 453 1 . . . . . 1.8 1.8 4.48 1 1 454 1 . . . . . 1.8 1.8 4.94 1 1 455 1 . . . . . 1.8 1.8 3.05 1 1 456 1 . . . . . 1.8 1.8 4.51 1 1 457 1 . . . . . 1.8 1.8 4.02 1 1 458 1 . . . . . 1.8 1.8 3.64 1 1 459 1 . . . . . 1.8 1.8 6.53 1 1 460 1 . . . . . 1.8 1.8 6.09 1 1 461 1 . . . . . 1.8 1.8 6.53 1 1 462 1 . . . . . 1.8 1.8 6.53 1 1 463 1 . . . . . 1.8 1.8 6.53 1 1 464 1 . . . . . 1.8 1.8 2.83 1 1 465 1 . . . . . 1.8 1.8 4.38 1 1 466 1 . . . . . 1.8 1.8 6.38 1 1 467 1 . . . . . 1.8 1.8 3.24 1 1 468 1 . . . . . 1.8 1.8 3.86 1 1 469 1 . . . . . 1.8 1.8 6.38 1 1 470 1 . . . . . 1.8 1.8 3.73 1 1 471 1 . . . . . 1.8 1.8 5.45 1 1 472 1 . . . . . 1.8 1.8 3.11 1 1 473 1 . . . . . 1.8 1.8 2.71 1 1 474 1 . . . . . 1.8 1.8 2.86 1 1 475 1 . . . . . 1.8 1.8 3.89 1 1 476 1 . . . . . 1.8 1.8 4.05 1 1 477 1 . . . . . 1.8 1.8 3.21 1 1 478 1 . . . . . 1.8 1.8 2.83 1 1 479 1 . . . . . 1.8 1.8 3.14 1 1 480 1 . . . . . 1.8 1.8 5.22 1 1 481 1 . . . . . 1.8 1.8 2.74 1 1 482 1 . . . . . 1.8 1.8 2.77 1 1 483 1 . . . . . 1.8 1.8 4.33 1 1 484 1 . . . . . 1.8 1.8 4.05 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 19 1 . . . 1 2 20 1 . . . 1 2 21 1 . . . 1 2 22 1 . . . 1 2 23 1 . . . 1 2 24 1 . . . 1 2 25 1 . . . 1 2 26 1 . . . 1 2 27 1 . . . 1 2 28 1 . . . 1 2 29 1 . . . 1 2 30 1 . . . 1 2 31 1 . . . 1 2 32 1 . . . 1 2 33 1 . . . 1 2 34 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 2 PRO O . 2 . O 1 2 1 1 2 1 1 5 CYS N . 5 . N 1 2 2 1 1 1 1 2 PRO O . 2 . O 1 2 2 1 2 1 1 5 CYS H . 5 . HN 1 2 3 1 1 1 1 3 ASP O . 3 . O 1 2 3 1 2 1 1 6 LEU N . 6 . N 1 2 4 1 1 1 1 3 ASP O . 3 . O 1 2 4 1 2 1 1 6 LEU H . 6 . HN 1 2 5 1 1 1 1 4 PHE O . 4 . O 1 2 5 1 2 1 1 7 GLU N . 7 . N 1 2 6 1 1 1 1 4 PHE O . 4 . O 1 2 6 1 2 1 1 7 GLU H . 7 . HN 1 2 7 1 1 1 1 21 TYR N . 21 . N 1 2 7 1 2 1 1 45 PHE O . 45 . O 1 2 8 1 1 1 1 21 TYR H . 21 . HN 1 2 8 1 2 1 1 45 PHE O . 45 . O 1 2 9 1 1 1 1 22 PHE N . 22 . N 1 2 9 1 2 1 1 31 GLN O . 31 . O 1 2 10 1 1 1 1 22 PHE H . 22 . HN 1 2 10 1 2 1 1 31 GLN O . 31 . O 1 2 11 1 1 1 1 23 TYR N . 23 . N 1 2 11 1 2 1 1 43 ASN OD1 . 43 . OD1 1 2 12 1 1 1 1 23 TYR H . 23 . HN 1 2 12 1 2 1 1 43 ASN OD1 . 43 . OD1 1 2 13 1 1 1 1 24 ASN N . 24 . N 1 2 13 1 2 1 1 29 LEU O . 29 . O 1 2 14 1 1 1 1 24 ASN H . 24 . HN 1 2 14 1 2 1 1 29 LEU O . 29 . O 1 2 15 1 1 1 1 24 ASN OD1 . 24 . OD1 1 2 15 1 2 1 1 26 LYS N . 26 . N 1 2 16 1 1 1 1 24 ASN OD1 . 24 . OD1 1 2 16 1 2 1 1 26 LYS H . 26 . HN 1 2 17 1 1 1 1 22 PHE O . 22 . O 1 2 17 1 2 1 1 31 GLN N . 31 . N 1 2 18 1 1 1 1 22 PHE O . 22 . O 1 2 18 1 2 1 1 31 GLN H . 31 . HN 1 2 19 1 1 1 1 47 SER O . 47 . O 1 2 19 1 2 1 1 51 CYS N . 51 . N 1 2 20 1 1 1 1 47 SER O . 47 . O 1 2 20 1 2 1 1 51 CYS H . 51 . HN 1 2 21 1 1 1 1 48 ALA O . 48 . O 1 2 21 1 2 1 1 52 LEU N . 52 . N 1 2 22 1 1 1 1 48 ALA O . 48 . O 1 2 22 1 2 1 1 52 LEU H . 52 . HN 1 2 23 1 1 1 1 49 GLU O . 49 . O 1 2 23 1 2 1 1 53 ARG N . 53 . N 1 2 24 1 1 1 1 49 GLU O . 49 . O 1 2 24 1 2 1 1 53 ARG H . 53 . HN 1 2 25 1 1 1 1 50 ASP O . 50 . O 1 2 25 1 2 1 1 54 THR N . 54 . N 1 2 26 1 1 1 1 50 ASP O . 50 . O 1 2 26 1 2 1 1 54 THR H . 54 . HN 1 2 27 1 1 1 1 52 LEU O . 52 . O 1 2 27 1 2 1 1 56 GLY N . 56 . N 1 2 28 1 1 1 1 52 LEU O . 52 . O 1 2 28 1 2 1 1 56 GLY H . 56 . HN 1 2 29 1 1 1 1 34 ALA O . 34 . O 1 2 29 1 2 1 1 37 ALA N . 37 . N 1 2 30 1 1 1 1 34 ALA O . 34 . O 1 2 30 1 2 1 1 37 ALA H . 37 . HN 1 2 31 1 1 1 1 24 ASN OD1 . 24 . OD1 1 2 31 1 2 1 1 27 ALA N . 27 . N 1 2 32 1 1 1 1 24 ASN OD1 . 24 . OD1 1 2 32 1 2 1 1 27 ALA H . 27 . HN 1 2 33 1 1 1 1 24 ASN O . 24 . O 1 2 33 1 2 1 1 28 GLY N . 28 . N 1 2 34 1 1 1 1 24 ASN O . 24 . O 1 2 34 1 2 1 1 28 GLY H . 28 . HN 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 . . . . . 2.7 2.7 3.1 1 2 2 1 . . . . . 1.8 1.8 2.1 1 2 3 1 . . . . . 2.7 2.7 3.1 1 2 4 1 . . . . . 1.8 1.8 2.1 1 2 5 1 . . . . . 2.7 2.7 3.1 1 2 6 1 . . . . . 1.8 1.8 2.1 1 2 7 1 . . . . . 2.7 2.7 3.1 1 2 8 1 . . . . . 1.8 1.8 2.1 1 2 9 1 . . . . . 2.7 2.7 3.1 1 2 10 1 . . . . . 1.8 1.8 2.1 1 2 11 1 . . . . . 2.7 2.7 3.3 1 2 12 1 . . . . . 1.8 1.8 2.3 1 2 13 1 . . . . . 2.7 2.7 3.1 1 2 14 1 . . . . . 1.8 1.8 2.1 1 2 15 1 . . . . . 2.7 2.7 3.3 1 2 16 1 . . . . . 1.8 1.8 2.3 1 2 17 1 . . . . . 2.7 2.7 3.1 1 2 18 1 . . . . . 1.8 1.8 2.1 1 2 19 1 . . . . . 2.7 2.7 3.1 1 2 20 1 . . . . . 1.8 1.8 2.1 1 2 21 1 . . . . . 2.7 2.7 3.1 1 2 22 1 . . . . . 1.8 1.8 2.1 1 2 23 1 . . . . . 2.7 2.7 3.1 1 2 24 1 . . . . . 1.8 1.8 2.1 1 2 25 1 . . . . . 2.7 2.7 3.1 1 2 26 1 . . . . . 1.8 1.8 2.1 1 2 27 1 . . . . . 2.7 2.7 3.1 1 2 28 1 . . . . . 1.8 1.8 2.1 1 2 29 1 . . . . . 2.7 2.7 3.1 1 2 30 1 . . . . . 1.8 1.8 2.1 1 2 31 1 . . . . . 2.7 2.7 3.3 1 2 32 1 . . . . . 1.8 1.8 2.3 1 2 33 1 . . . . . 2.7 2.7 3.3 1 2 34 1 . . . . . 1.8 1.8 2.3 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 4 PHE N 1 1 4 PHE CA 1 1 4 PHE CB 1 1 4 PHE CG 15.0 105.0 . 4 . N . 4 . CA . 4 . CB . 4 . CG 1 1 2 . 1 1 22 PHE N 1 1 22 PHE CA 1 1 22 PHE CB 1 1 22 PHE CG 15.0 105.0 . 22 . N . 22 . CA . 22 . CB . 22 . CG 1 1 3 . 1 1 23 TYR N 1 1 23 TYR CA 1 1 23 TYR CB 1 1 23 TYR CG 135.0 225.0 . 23 . N . 23 . CA . 23 . CB . 23 . CG 1 1 4 . 1 1 24 ASN N 1 1 24 ASN CA 1 1 24 ASN CB 1 1 24 ASN CG 135.0 225.0 . 24 . N . 24 . CA . 24 . CB . 24 . CG 1 1 5 . 1 1 30 CYS N 1 1 30 CYS CA 1 1 30 CYS CB 1 1 30 CYS SG -105.0 -15.0 . 30 . N . 30 . CA . 30 . CB . 30 . SG 1 1 6 . 1 1 43 ASN N 1 1 43 ASN CA 1 1 43 ASN CB 1 1 43 ASN CG 135.0 225.0 . 43 . N . 43 . CA . 43 . CB . 43 . CG 1 1 7 . 1 1 45 PHE N 1 1 45 PHE CA 1 1 45 PHE CB 1 1 45 PHE CG -105.0 -15.0 . 45 . N . 45 . CA . 45 . CB . 45 . CG 1 1 8 . 1 1 47 SER N 1 1 47 SER CA 1 1 47 SER CB 1 1 47 SER OG 15.0 105.0 . 47 . N . 47 . CA . 47 . CB . 47 . OG 1 1 9 . 1 1 51 CYS N 1 1 51 CYS CA 1 1 51 CYS CB 1 1 51 CYS SG 135.0 225.0 . 51 . N . 51 . CA . 51 . CB . 51 . SG 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 ARG C C -8.134 -10.295 1.054 1.00 . A A . 1 ARG C 1 1 1 2 1 1 1 ARG CA C -7.197 -10.920 0.021 1.00 . A A . 1 ARG CA 1 1 1 3 1 1 1 ARG CB C -7.020 -9.980 -1.176 1.00 . A A . 1 ARG CB 1 1 1 4 1 1 1 ARG CD C -6.243 -9.679 -3.549 1.00 . A A . 1 ARG CD 1 1 1 5 1 1 1 ARG CG C -6.499 -10.672 -2.426 1.00 . A A . 1 ARG CG 1 1 1 6 1 1 1 ARG CZ C -3.956 -10.338 -4.191 1.00 . A A . 1 ARG CZ 1 1 1 7 1 1 1 ARG H1 H -7.999 -12.782 0.364 1.00 . A A . 1 ARG H1 1 1 1 8 1 1 1 ARG H2 H -6.977 -12.686 -1.011 1.00 . A A . 1 ARG H2 1 1 1 9 1 1 1 ARG H3 H -8.557 -12.017 -1.065 1.00 . A A . 1 ARG H3 1 1 1 10 1 1 1 ARG HA H -6.236 -11.096 0.478 1.00 . A A . 1 ARG HA 1 1 1 11 1 1 1 ARG HB2 H -7.973 -9.530 -1.410 1.00 . A A . 1 ARG HB2 1 1 1 12 1 1 1 ARG HB3 H -6.321 -9.203 -0.905 1.00 . A A . 1 ARG HB3 1 1 1 13 1 1 1 ARG HD2 H -6.656 -10.076 -4.463 1.00 . A A . 1 ARG HD2 1 1 1 14 1 1 1 ARG HD3 H -6.735 -8.747 -3.309 1.00 . A A . 1 ARG HD3 1 1 1 15 1 1 1 ARG HE H -4.483 -8.531 -3.531 1.00 . A A . 1 ARG HE 1 1 1 16 1 1 1 ARG HG2 H -5.575 -11.177 -2.189 1.00 . A A . 1 ARG HG2 1 1 1 17 1 1 1 ARG HG3 H -7.232 -11.393 -2.757 1.00 . A A . 1 ARG HG3 1 1 1 18 1 1 1 ARG HH11 H -5.331 -11.810 -4.370 1.00 . A A . 1 ARG HH11 1 1 1 19 1 1 1 ARG HH12 H -3.717 -12.244 -4.821 1.00 . A A . 1 ARG HH12 1 1 1 20 1 1 1 ARG HH21 H -2.360 -9.099 -4.124 1.00 . A A . 1 ARG HH21 1 1 1 21 1 1 1 ARG HH22 H -2.029 -10.705 -4.679 1.00 . A A . 1 ARG HH22 1 1 1 22 1 1 1 ARG N N -7.731 -12.219 -0.467 1.00 . A A . 1 ARG N 1 1 1 23 1 1 1 ARG NE N -4.817 -9.427 -3.743 1.00 . A A . 1 ARG NE 1 1 1 24 1 1 1 ARG NH1 N -4.369 -11.565 -4.484 1.00 . A A . 1 ARG NH1 1 1 1 25 1 1 1 ARG NH2 N -2.677 -10.022 -4.344 1.00 . A A . 1 ARG NH2 1 1 1 26 1 1 1 ARG O O -9.355 -10.415 0.946 1.00 . A A . 1 ARG O 1 1 1 27 1 1 2 PRO C C -9.353 -7.962 2.582 1.00 . A A . 2 PRO C 1 1 1 28 1 1 2 PRO CA C -8.373 -8.994 3.136 1.00 . A A . 2 PRO CA 1 1 1 29 1 1 2 PRO CB C -7.330 -8.321 4.036 1.00 . A A . 2 PRO CB 1 1 1 30 1 1 2 PRO CD C -6.127 -9.451 2.298 1.00 . A A . 2 PRO CD 1 1 1 31 1 1 2 PRO CG C -6.041 -9.006 3.730 1.00 . A A . 2 PRO CG 1 1 1 32 1 1 2 PRO HA H -8.920 -9.731 3.707 1.00 . A A . 2 PRO HA 1 1 1 33 1 1 2 PRO HB2 H -7.282 -7.266 3.803 1.00 . A A . 2 PRO HB2 1 1 1 34 1 1 2 PRO HB3 H -7.609 -8.457 5.073 1.00 . A A . 2 PRO HB3 1 1 1 35 1 1 2 PRO HD2 H -5.726 -8.692 1.642 1.00 . A A . 2 PRO HD2 1 1 1 36 1 1 2 PRO HD3 H -5.599 -10.385 2.165 1.00 . A A . 2 PRO HD3 1 1 1 37 1 1 2 PRO HG2 H -5.220 -8.316 3.857 1.00 . A A . 2 PRO HG2 1 1 1 38 1 1 2 PRO HG3 H -5.917 -9.859 4.380 1.00 . A A . 2 PRO HG3 1 1 1 39 1 1 2 PRO N N -7.574 -9.628 2.081 1.00 . A A . 2 PRO N 1 1 1 40 1 1 2 PRO O O -9.014 -7.169 1.707 1.00 . A A . 2 PRO O 1 1 1 41 1 1 3 ASP C C -11.120 -5.630 2.566 1.00 . A A . 3 ASP C 1 1 1 42 1 1 3 ASP CA C -11.623 -7.069 2.643 1.00 . A A . 3 ASP CA 1 1 1 43 1 1 3 ASP CB C -12.828 -7.135 3.586 1.00 . A A . 3 ASP CB 1 1 1 44 1 1 3 ASP CG C -14.102 -7.539 2.870 1.00 . A A . 3 ASP CG 1 1 1 45 1 1 3 ASP H H -10.794 -8.653 3.780 1.00 . A A . 3 ASP H 1 1 1 46 1 1 3 ASP HA H -11.936 -7.379 1.656 1.00 . A A . 3 ASP HA 1 1 1 47 1 1 3 ASP HB2 H -12.629 -7.857 4.365 1.00 . A A . 3 ASP HB2 1 1 1 48 1 1 3 ASP HB3 H -12.981 -6.162 4.035 1.00 . A A . 3 ASP HB3 1 1 1 49 1 1 3 ASP N N -10.581 -7.990 3.091 1.00 . A A . 3 ASP N 1 1 1 50 1 1 3 ASP O O -11.155 -5.007 1.505 1.00 . A A . 3 ASP O 1 1 1 51 1 1 3 ASP OD1 O -14.294 -7.107 1.714 1.00 . A A . 3 ASP OD1 1 1 1 52 1 1 3 ASP OD2 O -14.906 -8.288 3.465 1.00 . A A . 3 ASP OD2 1 1 1 53 1 1 4 PHE C C -9.146 -3.421 2.701 1.00 . A A . 4 PHE C 1 1 1 54 1 1 4 PHE CA C -10.195 -3.725 3.767 1.00 . A A . 4 PHE CA 1 1 1 55 1 1 4 PHE CB C -9.613 -3.423 5.148 1.00 . A A . 4 PHE CB 1 1 1 56 1 1 4 PHE CD1 C -8.988 -5.584 6.257 1.00 . A A . 4 PHE CD1 1 1 1 57 1 1 4 PHE CD2 C -7.244 -4.185 5.434 1.00 . A A . 4 PHE CD2 1 1 1 58 1 1 4 PHE CE1 C -8.051 -6.497 6.697 1.00 . A A . 4 PHE CE1 1 1 1 59 1 1 4 PHE CE2 C -6.303 -5.094 5.875 1.00 . A A . 4 PHE CE2 1 1 1 60 1 1 4 PHE CG C -8.596 -4.421 5.620 1.00 . A A . 4 PHE CG 1 1 1 61 1 1 4 PHE CZ C -6.707 -6.252 6.506 1.00 . A A . 4 PHE CZ 1 1 1 62 1 1 4 PHE H H -10.691 -5.643 4.514 1.00 . A A . 4 PHE H 1 1 1 63 1 1 4 PHE HA H -11.046 -3.077 3.606 1.00 . A A . 4 PHE HA 1 1 1 64 1 1 4 PHE HB2 H -9.131 -2.460 5.112 1.00 . A A . 4 PHE HB2 1 1 1 65 1 1 4 PHE HB3 H -10.418 -3.396 5.872 1.00 . A A . 4 PHE HB3 1 1 1 66 1 1 4 PHE HD1 H -10.040 -5.778 6.407 1.00 . A A . 4 PHE HD1 1 1 1 67 1 1 4 PHE HD2 H -6.927 -3.280 4.939 1.00 . A A . 4 PHE HD2 1 1 1 68 1 1 4 PHE HE1 H -8.370 -7.403 7.191 1.00 . A A . 4 PHE HE1 1 1 1 69 1 1 4 PHE HE2 H -5.251 -4.900 5.724 1.00 . A A . 4 PHE HE2 1 1 1 70 1 1 4 PHE HZ H -5.973 -6.964 6.851 1.00 . A A . 4 PHE HZ 1 1 1 71 1 1 4 PHE N N -10.676 -5.102 3.699 1.00 . A A . 4 PHE N 1 1 1 72 1 1 4 PHE O O -9.040 -2.290 2.236 1.00 . A A . 4 PHE O 1 1 1 73 1 1 5 CYS C C -7.971 -3.737 -0.013 1.00 . A A . 5 CYS C 1 1 1 74 1 1 5 CYS CA C -7.354 -4.235 1.286 1.00 . A A . 5 CYS CA 1 1 1 75 1 1 5 CYS CB C -6.576 -5.518 1.033 1.00 . A A . 5 CYS CB 1 1 1 76 1 1 5 CYS H H -8.519 -5.316 2.686 1.00 . A A . 5 CYS H 1 1 1 77 1 1 5 CYS HA H -6.669 -3.490 1.648 1.00 . A A . 5 CYS HA 1 1 1 78 1 1 5 CYS HB2 H -7.262 -6.333 0.890 1.00 . A A . 5 CYS HB2 1 1 1 79 1 1 5 CYS HB3 H -5.987 -5.387 0.140 1.00 . A A . 5 CYS HB3 1 1 1 80 1 1 5 CYS N N -8.381 -4.430 2.303 1.00 . A A . 5 CYS N 1 1 1 81 1 1 5 CYS O O -7.294 -3.141 -0.848 1.00 . A A . 5 CYS O 1 1 1 82 1 1 5 CYS SG S -5.439 -5.969 2.380 1.00 . A A . 5 CYS SG 1 1 1 83 1 1 6 LEU C C -10.387 -2.075 -1.268 1.00 . A A . 6 LEU C 1 1 1 84 1 1 6 LEU CA C -9.986 -3.547 -1.360 1.00 . A A . 6 LEU CA 1 1 1 85 1 1 6 LEU CB C -11.240 -4.404 -1.564 1.00 . A A . 6 LEU CB 1 1 1 86 1 1 6 LEU CD1 C -12.398 -6.615 -1.323 1.00 . A A . 6 LEU CD1 1 1 1 87 1 1 6 LEU CD2 C -10.144 -6.496 -2.401 1.00 . A A . 6 LEU CD2 1 1 1 88 1 1 6 LEU CG C -11.053 -5.905 -1.333 1.00 . A A . 6 LEU CG 1 1 1 89 1 1 6 LEU H H -9.749 -4.446 0.549 1.00 . A A . 6 LEU H 1 1 1 90 1 1 6 LEU HA H -9.331 -3.679 -2.212 1.00 . A A . 6 LEU HA 1 1 1 91 1 1 6 LEU HB2 H -12.005 -4.052 -0.887 1.00 . A A . 6 LEU HB2 1 1 1 92 1 1 6 LEU HB3 H -11.587 -4.261 -2.576 1.00 . A A . 6 LEU HB3 1 1 1 93 1 1 6 LEU HD11 H -12.868 -6.512 -2.290 1.00 . A A . 6 LEU HD11 1 1 1 94 1 1 6 LEU HD12 H -13.030 -6.175 -0.566 1.00 . A A . 6 LEU HD12 1 1 1 95 1 1 6 LEU HD13 H -12.251 -7.663 -1.105 1.00 . A A . 6 LEU HD13 1 1 1 96 1 1 6 LEU HD21 H -10.385 -6.060 -3.360 1.00 . A A . 6 LEU HD21 1 1 1 97 1 1 6 LEU HD22 H -10.288 -7.566 -2.445 1.00 . A A . 6 LEU HD22 1 1 1 98 1 1 6 LEU HD23 H -9.116 -6.282 -2.156 1.00 . A A . 6 LEU HD23 1 1 1 99 1 1 6 LEU HG H -10.589 -6.061 -0.371 1.00 . A A . 6 LEU HG 1 1 1 100 1 1 6 LEU N N -9.266 -3.974 -0.165 1.00 . A A . 6 LEU N 1 1 1 101 1 1 6 LEU O O -10.821 -1.481 -2.256 1.00 . A A . 6 LEU O 1 1 1 102 1 1 7 GLU C C -9.594 0.847 -0.537 1.00 . A A . 7 GLU C 1 1 1 103 1 1 7 GLU CA C -10.602 -0.089 0.127 1.00 . A A . 7 GLU CA 1 1 1 104 1 1 7 GLU CB C -10.685 0.236 1.622 1.00 . A A . 7 GLU CB 1 1 1 105 1 1 7 GLU CD C -12.585 0.355 3.281 1.00 . A A . 7 GLU CD 1 1 1 106 1 1 7 GLU CG C -11.773 -0.530 2.355 1.00 . A A . 7 GLU CG 1 1 1 107 1 1 7 GLU H H -9.903 -2.015 0.675 1.00 . A A . 7 GLU H 1 1 1 108 1 1 7 GLU HA H -11.568 0.072 -0.318 1.00 . A A . 7 GLU HA 1 1 1 109 1 1 7 GLU HB2 H -9.735 0.005 2.084 1.00 . A A . 7 GLU HB2 1 1 1 110 1 1 7 GLU HB3 H -10.881 1.292 1.734 1.00 . A A . 7 GLU HB3 1 1 1 111 1 1 7 GLU HG2 H -12.439 -0.972 1.630 1.00 . A A . 7 GLU HG2 1 1 1 112 1 1 7 GLU HG3 H -11.311 -1.309 2.941 1.00 . A A . 7 GLU HG3 1 1 1 113 1 1 7 GLU N N -10.248 -1.492 -0.079 1.00 . A A . 7 GLU N 1 1 1 114 1 1 7 GLU O O -8.430 0.897 -0.142 1.00 . A A . 7 GLU O 1 1 1 115 1 1 7 GLU OE1 O -12.090 1.441 3.650 1.00 . A A . 7 GLU OE1 1 1 1 116 1 1 7 GLU OE2 O -13.715 -0.038 3.639 1.00 . A A . 7 GLU OE2 1 1 1 117 1 1 8 PRO C C -9.146 3.922 -1.583 1.00 . A A . 8 PRO C 1 1 1 118 1 1 8 PRO CA C -9.163 2.552 -2.257 1.00 . A A . 8 PRO CA 1 1 1 119 1 1 8 PRO CB C -9.819 2.635 -3.630 1.00 . A A . 8 PRO CB 1 1 1 120 1 1 8 PRO CD C -11.399 1.632 -2.103 1.00 . A A . 8 PRO CD 1 1 1 121 1 1 8 PRO CG C -11.280 2.476 -3.353 1.00 . A A . 8 PRO CG 1 1 1 122 1 1 8 PRO HA H -8.157 2.177 -2.350 1.00 . A A . 8 PRO HA 1 1 1 123 1 1 8 PRO HB2 H -9.601 3.593 -4.079 1.00 . A A . 8 PRO HB2 1 1 1 124 1 1 8 PRO HB3 H -9.449 1.841 -4.259 1.00 . A A . 8 PRO HB3 1 1 1 125 1 1 8 PRO HD2 H -12.083 2.090 -1.405 1.00 . A A . 8 PRO HD2 1 1 1 126 1 1 8 PRO HD3 H -11.728 0.634 -2.355 1.00 . A A . 8 PRO HD3 1 1 1 127 1 1 8 PRO HG2 H -11.727 3.445 -3.190 1.00 . A A . 8 PRO HG2 1 1 1 128 1 1 8 PRO HG3 H -11.756 1.979 -4.185 1.00 . A A . 8 PRO HG3 1 1 1 129 1 1 8 PRO N N -10.029 1.612 -1.556 1.00 . A A . 8 PRO N 1 1 1 130 1 1 8 PRO O O -10.076 4.273 -0.856 1.00 . A A . 8 PRO O 1 1 1 131 1 1 9 PRO C C -8.869 7.080 -1.948 1.00 . A A . 9 PRO C 1 1 1 132 1 1 9 PRO CA C -7.985 6.063 -1.240 1.00 . A A . 9 PRO CA 1 1 1 133 1 1 9 PRO CB C -6.516 6.409 -1.454 1.00 . A A . 9 PRO CB 1 1 1 134 1 1 9 PRO CD C -6.946 4.408 -2.696 1.00 . A A . 9 PRO CD 1 1 1 135 1 1 9 PRO CG C -6.154 5.692 -2.707 1.00 . A A . 9 PRO CG 1 1 1 136 1 1 9 PRO HA H -8.212 6.059 -0.187 1.00 . A A . 9 PRO HA 1 1 1 137 1 1 9 PRO HB2 H -6.409 7.480 -1.559 1.00 . A A . 9 PRO HB2 1 1 1 138 1 1 9 PRO HB3 H -5.933 6.062 -0.614 1.00 . A A . 9 PRO HB3 1 1 1 139 1 1 9 PRO HD2 H -7.274 4.161 -3.696 1.00 . A A . 9 PRO HD2 1 1 1 140 1 1 9 PRO HD3 H -6.358 3.604 -2.280 1.00 . A A . 9 PRO HD3 1 1 1 141 1 1 9 PRO HG2 H -6.424 6.290 -3.564 1.00 . A A . 9 PRO HG2 1 1 1 142 1 1 9 PRO HG3 H -5.097 5.481 -2.718 1.00 . A A . 9 PRO HG3 1 1 1 143 1 1 9 PRO N N -8.097 4.725 -1.824 1.00 . A A . 9 PRO N 1 1 1 144 1 1 9 PRO O O -9.019 7.041 -3.169 1.00 . A A . 9 PRO O 1 1 1 145 1 1 10 TYR C C -9.485 10.247 -2.174 1.00 . A A . 10 TYR C 1 1 1 146 1 1 10 TYR CA C -10.301 9.033 -1.741 1.00 . A A . 10 TYR CA 1 1 1 147 1 1 10 TYR CB C -11.394 9.444 -0.745 1.00 . A A . 10 TYR CB 1 1 1 148 1 1 10 TYR CD1 C -10.442 9.083 1.572 1.00 . A A . 10 TYR CD1 1 1 1 149 1 1 10 TYR CD2 C -10.890 11.319 0.874 1.00 . A A . 10 TYR CD2 1 1 1 150 1 1 10 TYR CE1 C -10.003 9.550 2.799 1.00 . A A . 10 TYR CE1 1 1 1 151 1 1 10 TYR CE2 C -10.457 11.793 2.099 1.00 . A A . 10 TYR CE2 1 1 1 152 1 1 10 TYR CG C -10.890 9.958 0.588 1.00 . A A . 10 TYR CG 1 1 1 153 1 1 10 TYR CZ C -10.016 10.904 3.058 1.00 . A A . 10 TYR CZ 1 1 1 154 1 1 10 TYR H H -9.267 7.985 -0.216 1.00 . A A . 10 TYR H 1 1 1 155 1 1 10 TYR HA H -10.778 8.613 -2.619 1.00 . A A . 10 TYR HA 1 1 1 156 1 1 10 TYR HB2 H -11.992 10.226 -1.188 1.00 . A A . 10 TYR HB2 1 1 1 157 1 1 10 TYR HB3 H -12.026 8.589 -0.553 1.00 . A A . 10 TYR HB3 1 1 1 158 1 1 10 TYR HD1 H -10.433 8.022 1.367 1.00 . A A . 10 TYR HD1 1 1 1 159 1 1 10 TYR HD2 H -11.236 12.012 0.121 1.00 . A A . 10 TYR HD2 1 1 1 160 1 1 10 TYR HE1 H -9.658 8.854 3.548 1.00 . A A . 10 TYR HE1 1 1 1 161 1 1 10 TYR HE2 H -10.465 12.854 2.301 1.00 . A A . 10 TYR HE2 1 1 1 162 1 1 10 TYR HH H -10.257 11.198 4.942 1.00 . A A . 10 TYR HH 1 1 1 163 1 1 10 TYR N N -9.438 7.999 -1.178 1.00 . A A . 10 TYR N 1 1 1 164 1 1 10 TYR O O -8.654 10.753 -1.418 1.00 . A A . 10 TYR O 1 1 1 165 1 1 10 TYR OH O -9.586 11.371 4.278 1.00 . A A . 10 TYR OH 1 1 1 166 1 1 11 ALA C C -9.824 13.128 -3.810 1.00 . A A . 11 ALA C 1 1 1 167 1 1 11 ALA CA C -9.002 11.851 -3.940 1.00 . A A . 11 ALA CA 1 1 1 168 1 1 11 ALA CB C -8.637 11.603 -5.397 1.00 . A A . 11 ALA CB 1 1 1 169 1 1 11 ALA H H -10.389 10.253 -3.957 1.00 . A A . 11 ALA H 1 1 1 170 1 1 11 ALA HA H -8.088 11.966 -3.378 1.00 . A A . 11 ALA HA 1 1 1 171 1 1 11 ALA HB1 H -8.655 10.543 -5.597 1.00 . A A . 11 ALA HB1 1 1 1 172 1 1 11 ALA HB2 H -7.646 11.989 -5.589 1.00 . A A . 11 ALA HB2 1 1 1 173 1 1 11 ALA HB3 H -9.349 12.104 -6.037 1.00 . A A . 11 ALA HB3 1 1 1 174 1 1 11 ALA N N -9.719 10.704 -3.400 1.00 . A A . 11 ALA N 1 1 1 175 1 1 11 ALA O O -10.643 13.443 -4.674 1.00 . A A . 11 ALA O 1 1 1 176 1 1 12 GLY C C -9.399 16.302 -2.443 1.00 . A A . 12 GLY C 1 1 1 177 1 1 12 GLY CA C -10.319 15.100 -2.502 1.00 . A A . 12 GLY CA 1 1 1 178 1 1 12 GLY H H -8.929 13.562 -2.074 1.00 . A A . 12 GLY H 1 1 1 179 1 1 12 GLY HA2 H -11.029 15.242 -3.303 1.00 . A A . 12 GLY HA2 1 1 1 180 1 1 12 GLY HA3 H -10.857 15.026 -1.567 1.00 . A A . 12 GLY HA3 1 1 1 181 1 1 12 GLY N N -9.595 13.862 -2.727 1.00 . A A . 12 GLY N 1 1 1 182 1 1 12 GLY O O -9.028 16.859 -3.475 1.00 . A A . 12 GLY O 1 1 1 183 1 1 13 ALA C C -7.507 17.796 0.350 1.00 . A A . 13 ALA C 1 1 1 184 1 1 13 ALA CA C -8.136 17.815 -1.040 1.00 . A A . 13 ALA CA 1 1 1 185 1 1 13 ALA CB C -8.865 19.126 -1.287 1.00 . A A . 13 ALA CB 1 1 1 186 1 1 13 ALA H H -9.328 16.213 -0.459 1.00 . A A . 13 ALA H 1 1 1 187 1 1 13 ALA HA H -7.364 17.719 -1.765 1.00 . A A . 13 ALA HA 1 1 1 188 1 1 13 ALA HB1 H -8.146 19.907 -1.487 1.00 . A A . 13 ALA HB1 1 1 1 189 1 1 13 ALA HB2 H -9.445 19.386 -0.412 1.00 . A A . 13 ALA HB2 1 1 1 190 1 1 13 ALA HB3 H -9.525 19.018 -2.135 1.00 . A A . 13 ALA HB3 1 1 1 191 1 1 13 ALA N N -9.020 16.695 -1.233 1.00 . A A . 13 ALA N 1 1 1 192 1 1 13 ALA O O -8.116 18.236 1.324 1.00 . A A . 13 ALA O 1 1 1 193 1 1 14 CYS C C -4.082 16.939 1.466 1.00 . A A . 14 CYS C 1 1 1 194 1 1 14 CYS CA C -5.563 17.218 1.699 1.00 . A A . 14 CYS CA 1 1 1 195 1 1 14 CYS CB C -6.165 16.140 2.604 1.00 . A A . 14 CYS CB 1 1 1 196 1 1 14 CYS H H -5.848 16.955 -0.380 1.00 . A A . 14 CYS H 1 1 1 197 1 1 14 CYS HA H -5.660 18.179 2.186 1.00 . A A . 14 CYS HA 1 1 1 198 1 1 14 CYS HB2 H -5.529 16.009 3.466 1.00 . A A . 14 CYS HB2 1 1 1 199 1 1 14 CYS HB3 H -7.142 16.465 2.933 1.00 . A A . 14 CYS HB3 1 1 1 200 1 1 14 CYS N N -6.282 17.288 0.432 1.00 . A A . 14 CYS N 1 1 1 201 1 1 14 CYS O O -3.721 16.012 0.740 1.00 . A A . 14 CYS O 1 1 1 202 1 1 14 CYS SG S -6.362 14.509 1.814 1.00 . A A . 14 CYS SG 1 1 1 203 1 1 15 ARG C C -1.274 16.472 2.862 1.00 . A A . 15 ARG C 1 1 1 204 1 1 15 ARG CA C -1.784 17.584 1.951 1.00 . A A . 15 ARG CA 1 1 1 205 1 1 15 ARG CB C -1.061 18.895 2.282 1.00 . A A . 15 ARG CB 1 1 1 206 1 1 15 ARG CD C -1.565 20.389 0.319 1.00 . A A . 15 ARG CD 1 1 1 207 1 1 15 ARG CG C -1.786 20.146 1.803 1.00 . A A . 15 ARG CG 1 1 1 208 1 1 15 ARG CZ C -2.238 22.105 -1.319 1.00 . A A . 15 ARG CZ 1 1 1 209 1 1 15 ARG H H -3.578 18.458 2.663 1.00 . A A . 15 ARG H 1 1 1 210 1 1 15 ARG HA H -1.577 17.319 0.923 1.00 . A A . 15 ARG HA 1 1 1 211 1 1 15 ARG HB2 H -0.943 18.966 3.354 1.00 . A A . 15 ARG HB2 1 1 1 212 1 1 15 ARG HB3 H -0.083 18.876 1.825 1.00 . A A . 15 ARG HB3 1 1 1 213 1 1 15 ARG HD2 H -0.544 20.704 0.167 1.00 . A A . 15 ARG HD2 1 1 1 214 1 1 15 ARG HD3 H -1.740 19.465 -0.214 1.00 . A A . 15 ARG HD3 1 1 1 215 1 1 15 ARG HE H -3.278 21.607 0.310 1.00 . A A . 15 ARG HE 1 1 1 216 1 1 15 ARG HG2 H -2.844 20.032 1.983 1.00 . A A . 15 ARG HG2 1 1 1 217 1 1 15 ARG HG3 H -1.416 20.996 2.355 1.00 . A A . 15 ARG HG3 1 1 1 218 1 1 15 ARG HH11 H -0.491 21.181 -1.750 1.00 . A A . 15 ARG HH11 1 1 1 219 1 1 15 ARG HH12 H -0.986 22.395 -2.880 1.00 . A A . 15 ARG HH12 1 1 1 220 1 1 15 ARG HH21 H -3.930 23.202 -1.175 1.00 . A A . 15 ARG HH21 1 1 1 221 1 1 15 ARG HH22 H -2.939 23.544 -2.554 1.00 . A A . 15 ARG HH22 1 1 1 222 1 1 15 ARG N N -3.229 17.742 2.093 1.00 . A A . 15 ARG N 1 1 1 223 1 1 15 ARG NE N -2.464 21.417 -0.202 1.00 . A A . 15 ARG NE 1 1 1 224 1 1 15 ARG NH1 N -1.149 21.874 -2.042 1.00 . A A . 15 ARG NH1 1 1 1 225 1 1 15 ARG NH2 N -3.107 23.025 -1.716 1.00 . A A . 15 ARG NH2 1 1 1 226 1 1 15 ARG O O -1.544 16.467 4.063 1.00 . A A . 15 ARG O 1 1 1 227 1 1 16 ALA C C 1.067 13.671 2.232 1.00 . A A . 16 ALA C 1 1 1 228 1 1 16 ALA CA C 0.010 14.411 3.040 1.00 . A A . 16 ALA CA 1 1 1 229 1 1 16 ALA CB C -1.100 13.460 3.461 1.00 . A A . 16 ALA CB 1 1 1 230 1 1 16 ALA H H -0.361 15.587 1.321 1.00 . A A . 16 ALA H 1 1 1 231 1 1 16 ALA HA H 0.469 14.808 3.934 1.00 . A A . 16 ALA HA 1 1 1 232 1 1 16 ALA HB1 H -1.873 14.012 3.974 1.00 . A A . 16 ALA HB1 1 1 1 233 1 1 16 ALA HB2 H -0.696 12.708 4.123 1.00 . A A . 16 ALA HB2 1 1 1 234 1 1 16 ALA HB3 H -1.517 12.983 2.588 1.00 . A A . 16 ALA HB3 1 1 1 235 1 1 16 ALA N N -0.540 15.529 2.282 1.00 . A A . 16 ALA N 1 1 1 236 1 1 16 ALA O O 0.977 13.584 1.007 1.00 . A A . 16 ALA O 1 1 1 237 1 1 17 ALA C C 3.871 11.524 3.276 1.00 . A A . 17 ALA C 1 1 1 238 1 1 17 ALA CA C 3.127 12.398 2.278 1.00 . A A . 17 ALA CA 1 1 1 239 1 1 17 ALA CB C 4.077 13.344 1.559 1.00 . A A . 17 ALA CB 1 1 1 240 1 1 17 ALA H H 2.078 13.226 3.887 1.00 . A A . 17 ALA H 1 1 1 241 1 1 17 ALA HA H 2.665 11.765 1.556 1.00 . A A . 17 ALA HA 1 1 1 242 1 1 17 ALA HB1 H 3.784 14.366 1.754 1.00 . A A . 17 ALA HB1 1 1 1 243 1 1 17 ALA HB2 H 4.036 13.156 0.496 1.00 . A A . 17 ALA HB2 1 1 1 244 1 1 17 ALA HB3 H 5.084 13.185 1.913 1.00 . A A . 17 ALA HB3 1 1 1 245 1 1 17 ALA N N 2.064 13.135 2.924 1.00 . A A . 17 ALA N 1 1 1 246 1 1 17 ALA O O 5.101 11.459 3.274 1.00 . A A . 17 ALA O 1 1 1 247 1 1 18 ALA C C 4.246 8.702 4.482 1.00 . A A . 18 ALA C 1 1 1 248 1 1 18 ALA CA C 3.680 9.961 5.126 1.00 . A A . 18 ALA CA 1 1 1 249 1 1 18 ALA CB C 2.633 9.600 6.169 1.00 . A A . 18 ALA CB 1 1 1 250 1 1 18 ALA H H 2.135 10.941 4.058 1.00 . A A . 18 ALA H 1 1 1 251 1 1 18 ALA HA H 4.480 10.491 5.621 1.00 . A A . 18 ALA HA 1 1 1 252 1 1 18 ALA HB1 H 1.810 9.089 5.691 1.00 . A A . 18 ALA HB1 1 1 1 253 1 1 18 ALA HB2 H 2.272 10.500 6.644 1.00 . A A . 18 ALA HB2 1 1 1 254 1 1 18 ALA HB3 H 3.074 8.953 6.913 1.00 . A A . 18 ALA HB3 1 1 1 255 1 1 18 ALA N N 3.109 10.847 4.120 1.00 . A A . 18 ALA N 1 1 1 256 1 1 18 ALA O O 3.908 8.370 3.346 1.00 . A A . 18 ALA O 1 1 1 257 1 1 19 ALA C C 4.760 5.586 4.823 1.00 . A A . 19 ALA C 1 1 1 258 1 1 19 ALA CA C 5.717 6.774 4.704 1.00 . A A . 19 ALA CA 1 1 1 259 1 1 19 ALA CB C 7.022 6.493 5.438 1.00 . A A . 19 ALA CB 1 1 1 260 1 1 19 ALA H H 5.341 8.313 6.109 1.00 . A A . 19 ALA H 1 1 1 261 1 1 19 ALA HA H 5.948 6.928 3.661 1.00 . A A . 19 ALA HA 1 1 1 262 1 1 19 ALA HB1 H 7.062 7.086 6.341 1.00 . A A . 19 ALA HB1 1 1 1 263 1 1 19 ALA HB2 H 7.855 6.751 4.802 1.00 . A A . 19 ALA HB2 1 1 1 264 1 1 19 ALA HB3 H 7.076 5.445 5.694 1.00 . A A . 19 ALA HB3 1 1 1 265 1 1 19 ALA N N 5.109 8.000 5.210 1.00 . A A . 19 ALA N 1 1 1 266 1 1 19 ALA O O 5.153 4.503 5.259 1.00 . A A . 19 ALA O 1 1 1 267 1 1 20 ARG C C 2.250 4.125 3.128 1.00 . A A . 20 ARG C 1 1 1 268 1 1 20 ARG CA C 2.501 4.737 4.503 1.00 . A A . 20 ARG CA 1 1 1 269 1 1 20 ARG CB C 1.190 5.284 5.072 1.00 . A A . 20 ARG CB 1 1 1 270 1 1 20 ARG CD C 0.013 6.030 7.162 1.00 . A A . 20 ARG CD 1 1 1 271 1 1 20 ARG CG C 1.343 5.949 6.429 1.00 . A A . 20 ARG CG 1 1 1 272 1 1 20 ARG CZ C -0.478 5.889 9.578 1.00 . A A . 20 ARG CZ 1 1 1 273 1 1 20 ARG H H 3.244 6.671 4.095 1.00 . A A . 20 ARG H 1 1 1 274 1 1 20 ARG HA H 2.873 3.967 5.162 1.00 . A A . 20 ARG HA 1 1 1 275 1 1 20 ARG HB2 H 0.789 6.014 4.381 1.00 . A A . 20 ARG HB2 1 1 1 276 1 1 20 ARG HB3 H 0.486 4.466 5.172 1.00 . A A . 20 ARG HB3 1 1 1 277 1 1 20 ARG HD2 H -0.248 7.069 7.287 1.00 . A A . 20 ARG HD2 1 1 1 278 1 1 20 ARG HD3 H -0.744 5.538 6.569 1.00 . A A . 20 ARG HD3 1 1 1 279 1 1 20 ARG HE H 0.569 4.546 8.538 1.00 . A A . 20 ARG HE 1 1 1 280 1 1 20 ARG HG2 H 2.036 5.374 7.025 1.00 . A A . 20 ARG HG2 1 1 1 281 1 1 20 ARG HG3 H 1.726 6.948 6.287 1.00 . A A . 20 ARG HG3 1 1 1 282 1 1 20 ARG HH11 H -1.280 7.512 8.675 1.00 . A A . 20 ARG HH11 1 1 1 283 1 1 20 ARG HH12 H -1.580 7.386 10.373 1.00 . A A . 20 ARG HH12 1 1 1 284 1 1 20 ARG HH21 H 0.165 4.387 10.768 1.00 . A A . 20 ARG HH21 1 1 1 285 1 1 20 ARG HH22 H -0.762 5.616 11.561 1.00 . A A . 20 ARG HH22 1 1 1 286 1 1 20 ARG N N 3.503 5.792 4.436 1.00 . A A . 20 ARG N 1 1 1 287 1 1 20 ARG NE N 0.078 5.391 8.474 1.00 . A A . 20 ARG NE 1 1 1 288 1 1 20 ARG NH1 N -1.170 7.022 9.537 1.00 . A A . 20 ARG NH1 1 1 1 289 1 1 20 ARG NH2 N -0.348 5.244 10.730 1.00 . A A . 20 ARG NH2 1 1 1 290 1 1 20 ARG O O 2.618 4.695 2.101 1.00 . A A . 20 ARG O 1 1 1 291 1 1 21 TYR C C -0.103 1.703 1.893 1.00 . A A . 21 TYR C 1 1 1 292 1 1 21 TYR CA C 1.313 2.267 1.871 1.00 . A A . 21 TYR CA 1 1 1 293 1 1 21 TYR CB C 2.301 1.123 1.634 1.00 . A A . 21 TYR CB 1 1 1 294 1 1 21 TYR CD1 C 4.454 1.799 2.770 1.00 . A A . 21 TYR CD1 1 1 1 295 1 1 21 TYR CD2 C 4.430 1.658 0.393 1.00 . A A . 21 TYR CD2 1 1 1 296 1 1 21 TYR CE1 C 5.788 2.158 2.739 1.00 . A A . 21 TYR CE1 1 1 1 297 1 1 21 TYR CE2 C 5.763 2.019 0.354 1.00 . A A . 21 TYR CE2 1 1 1 298 1 1 21 TYR CG C 3.753 1.542 1.599 1.00 . A A . 21 TYR CG 1 1 1 299 1 1 21 TYR CZ C 6.436 2.268 1.529 1.00 . A A . 21 TYR CZ 1 1 1 300 1 1 21 TYR H H 1.348 2.551 3.966 1.00 . A A . 21 TYR H 1 1 1 301 1 1 21 TYR HA H 1.397 2.978 1.064 1.00 . A A . 21 TYR HA 1 1 1 302 1 1 21 TYR HB2 H 2.190 0.396 2.424 1.00 . A A . 21 TYR HB2 1 1 1 303 1 1 21 TYR HB3 H 2.070 0.653 0.689 1.00 . A A . 21 TYR HB3 1 1 1 304 1 1 21 TYR HD1 H 3.941 1.713 3.719 1.00 . A A . 21 TYR HD1 1 1 1 305 1 1 21 TYR HD2 H 3.899 1.463 -0.527 1.00 . A A . 21 TYR HD2 1 1 1 306 1 1 21 TYR HE1 H 6.315 2.354 3.662 1.00 . A A . 21 TYR HE1 1 1 1 307 1 1 21 TYR HE2 H 6.270 2.104 -0.596 1.00 . A A . 21 TYR HE2 1 1 1 308 1 1 21 TYR HH H 7.924 3.194 0.738 1.00 . A A . 21 TYR HH 1 1 1 309 1 1 21 TYR N N 1.618 2.958 3.116 1.00 . A A . 21 TYR N 1 1 1 310 1 1 21 TYR O O -0.661 1.445 2.959 1.00 . A A . 21 TYR O 1 1 1 311 1 1 21 TYR OH O 7.765 2.625 1.493 1.00 . A A . 21 TYR OH 1 1 1 312 1 1 22 PHE C C -2.108 0.000 -0.608 1.00 . A A . 22 PHE C 1 1 1 313 1 1 22 PHE CA C -2.013 0.915 0.602 1.00 . A A . 22 PHE CA 1 1 1 314 1 1 22 PHE CB C -3.084 2.003 0.529 1.00 . A A . 22 PHE CB 1 1 1 315 1 1 22 PHE CD1 C -3.261 2.424 -1.938 1.00 . A A . 22 PHE CD1 1 1 1 316 1 1 22 PHE CD2 C -2.616 4.229 -0.525 1.00 . A A . 22 PHE CD2 1 1 1 317 1 1 22 PHE CE1 C -3.177 3.253 -3.039 1.00 . A A . 22 PHE CE1 1 1 1 318 1 1 22 PHE CE2 C -2.529 5.061 -1.621 1.00 . A A . 22 PHE CE2 1 1 1 319 1 1 22 PHE CG C -2.981 2.903 -0.670 1.00 . A A . 22 PHE CG 1 1 1 320 1 1 22 PHE CZ C -2.811 4.573 -2.881 1.00 . A A . 22 PHE CZ 1 1 1 321 1 1 22 PHE H H -0.168 1.695 -0.108 1.00 . A A . 22 PHE H 1 1 1 322 1 1 22 PHE HA H -2.184 0.319 1.489 1.00 . A A . 22 PHE HA 1 1 1 323 1 1 22 PHE HB2 H -4.052 1.535 0.503 1.00 . A A . 22 PHE HB2 1 1 1 324 1 1 22 PHE HB3 H -3.019 2.610 1.411 1.00 . A A . 22 PHE HB3 1 1 1 325 1 1 22 PHE HD1 H -3.548 1.391 -2.065 1.00 . A A . 22 PHE HD1 1 1 1 326 1 1 22 PHE HD2 H -2.396 4.612 0.460 1.00 . A A . 22 PHE HD2 1 1 1 327 1 1 22 PHE HE1 H -3.397 2.869 -4.024 1.00 . A A . 22 PHE HE1 1 1 1 328 1 1 22 PHE HE2 H -2.244 6.094 -1.495 1.00 . A A . 22 PHE HE2 1 1 1 329 1 1 22 PHE HZ H -2.743 5.223 -3.740 1.00 . A A . 22 PHE HZ 1 1 1 330 1 1 22 PHE N N -0.671 1.486 0.710 1.00 . A A . 22 PHE N 1 1 1 331 1 1 22 PHE O O -1.293 0.078 -1.521 1.00 . A A . 22 PHE O 1 1 1 332 1 1 23 TYR C C -4.125 -1.251 -2.819 1.00 . A A . 23 TYR C 1 1 1 333 1 1 23 TYR CA C -3.283 -1.840 -1.690 1.00 . A A . 23 TYR CA 1 1 1 334 1 1 23 TYR CB C -3.935 -3.129 -1.177 1.00 . A A . 23 TYR CB 1 1 1 335 1 1 23 TYR CD1 C -2.948 -4.801 -2.797 1.00 . A A . 23 TYR CD1 1 1 1 336 1 1 23 TYR CD2 C -5.321 -4.594 -2.703 1.00 . A A . 23 TYR CD2 1 1 1 337 1 1 23 TYR CE1 C -3.069 -5.770 -3.775 1.00 . A A . 23 TYR CE1 1 1 1 338 1 1 23 TYR CE2 C -5.448 -5.562 -3.679 1.00 . A A . 23 TYR CE2 1 1 1 339 1 1 23 TYR CG C -4.072 -4.196 -2.244 1.00 . A A . 23 TYR CG 1 1 1 340 1 1 23 TYR CZ C -4.321 -6.147 -4.212 1.00 . A A . 23 TYR CZ 1 1 1 341 1 1 23 TYR H H -3.710 -0.894 0.172 1.00 . A A . 23 TYR H 1 1 1 342 1 1 23 TYR HA H -2.299 -2.089 -2.082 1.00 . A A . 23 TYR HA 1 1 1 343 1 1 23 TYR HB2 H -3.330 -3.538 -0.376 1.00 . A A . 23 TYR HB2 1 1 1 344 1 1 23 TYR HB3 H -4.925 -2.902 -0.802 1.00 . A A . 23 TYR HB3 1 1 1 345 1 1 23 TYR HD1 H -1.969 -4.503 -2.451 1.00 . A A . 23 TYR HD1 1 1 1 346 1 1 23 TYR HD2 H -6.203 -4.136 -2.288 1.00 . A A . 23 TYR HD2 1 1 1 347 1 1 23 TYR HE1 H -2.184 -6.228 -4.192 1.00 . A A . 23 TYR HE1 1 1 1 348 1 1 23 TYR HE2 H -6.430 -5.857 -4.022 1.00 . A A . 23 TYR HE2 1 1 1 349 1 1 23 TYR HH H -5.160 -6.876 -5.780 1.00 . A A . 23 TYR HH 1 1 1 350 1 1 23 TYR N N -3.097 -0.881 -0.595 1.00 . A A . 23 TYR N 1 1 1 351 1 1 23 TYR O O -5.060 -0.487 -2.579 1.00 . A A . 23 TYR O 1 1 1 352 1 1 23 TYR OH O -4.446 -7.113 -5.182 1.00 . A A . 23 TYR OH 1 1 1 353 1 1 24 ASN C C -5.234 -2.348 -5.881 1.00 . A A . 24 ASN C 1 1 1 354 1 1 24 ASN CA C -4.524 -1.172 -5.224 1.00 . A A . 24 ASN CA 1 1 1 355 1 1 24 ASN CB C -3.562 -0.515 -6.219 1.00 . A A . 24 ASN CB 1 1 1 356 1 1 24 ASN CG C -4.262 -0.026 -7.469 1.00 . A A . 24 ASN CG 1 1 1 357 1 1 24 ASN H H -3.051 -2.258 -4.166 1.00 . A A . 24 ASN H 1 1 1 358 1 1 24 ASN HA H -5.260 -0.446 -4.906 1.00 . A A . 24 ASN HA 1 1 1 359 1 1 24 ASN HB2 H -3.083 0.332 -5.746 1.00 . A A . 24 ASN HB2 1 1 1 360 1 1 24 ASN HB3 H -2.811 -1.232 -6.513 1.00 . A A . 24 ASN HB3 1 1 1 361 1 1 24 ASN HD21 H -2.899 1.406 -7.685 1.00 . A A . 24 ASN HD21 1 1 1 362 1 1 24 ASN HD22 H -4.140 1.349 -8.893 1.00 . A A . 24 ASN HD22 1 1 1 363 1 1 24 ASN N N -3.798 -1.633 -4.048 1.00 . A A . 24 ASN N 1 1 1 364 1 1 24 ASN ND2 N -3.713 1.016 -8.076 1.00 . A A . 24 ASN ND2 1 1 1 365 1 1 24 ASN O O -4.687 -2.993 -6.770 1.00 . A A . 24 ASN O 1 1 1 366 1 1 24 ASN OD1 O -5.277 -0.581 -7.888 1.00 . A A . 24 ASN OD1 1 1 1 367 1 1 25 ALA C C -7.319 -3.678 -7.497 1.00 . A A . 25 ALA C 1 1 1 368 1 1 25 ALA CA C -7.231 -3.738 -5.973 1.00 . A A . 25 ALA CA 1 1 1 369 1 1 25 ALA CB C -8.624 -3.745 -5.362 1.00 . A A . 25 ALA CB 1 1 1 370 1 1 25 ALA H H -6.837 -2.079 -4.717 1.00 . A A . 25 ALA H 1 1 1 371 1 1 25 ALA HA H -6.736 -4.656 -5.689 1.00 . A A . 25 ALA HA 1 1 1 372 1 1 25 ALA HB1 H -8.558 -4.010 -4.315 1.00 . A A . 25 ALA HB1 1 1 1 373 1 1 25 ALA HB2 H -9.240 -4.466 -5.879 1.00 . A A . 25 ALA HB2 1 1 1 374 1 1 25 ALA HB3 H -9.063 -2.763 -5.456 1.00 . A A . 25 ALA HB3 1 1 1 375 1 1 25 ALA N N -6.454 -2.627 -5.434 1.00 . A A . 25 ALA N 1 1 1 376 1 1 25 ALA O O -7.530 -4.698 -8.154 1.00 . A A . 25 ALA O 1 1 1 377 1 1 26 LYS C C -5.857 -2.493 -10.171 1.00 . A A . 26 LYS C 1 1 1 378 1 1 26 LYS CA C -7.222 -2.298 -9.502 1.00 . A A . 26 LYS CA 1 1 1 379 1 1 26 LYS CB C -7.763 -0.904 -9.829 1.00 . A A . 26 LYS CB 1 1 1 380 1 1 26 LYS CD C -8.405 -0.894 -12.261 1.00 . A A . 26 LYS CD 1 1 1 381 1 1 26 LYS CE C -9.231 0.041 -13.130 1.00 . A A . 26 LYS CE 1 1 1 382 1 1 26 LYS CG C -8.911 -0.914 -10.826 1.00 . A A . 26 LYS CG 1 1 1 383 1 1 26 LYS H H -6.990 -1.705 -7.482 1.00 . A A . 26 LYS H 1 1 1 384 1 1 26 LYS HA H -7.907 -3.034 -9.896 1.00 . A A . 26 LYS HA 1 1 1 385 1 1 26 LYS HB2 H -8.112 -0.444 -8.916 1.00 . A A . 26 LYS HB2 1 1 1 386 1 1 26 LYS HB3 H -6.964 -0.305 -10.240 1.00 . A A . 26 LYS HB3 1 1 1 387 1 1 26 LYS HD2 H -7.380 -0.560 -12.266 1.00 . A A . 26 LYS HD2 1 1 1 388 1 1 26 LYS HD3 H -8.462 -1.894 -12.667 1.00 . A A . 26 LYS HD3 1 1 1 389 1 1 26 LYS HE2 H -10.186 0.205 -12.655 1.00 . A A . 26 LYS HE2 1 1 1 390 1 1 26 LYS HE3 H -8.707 0.981 -13.221 1.00 . A A . 26 LYS HE3 1 1 1 391 1 1 26 LYS HG2 H -9.500 -1.806 -10.674 1.00 . A A . 26 LYS HG2 1 1 1 392 1 1 26 LYS HG3 H -9.527 -0.043 -10.658 1.00 . A A . 26 LYS HG3 1 1 1 393 1 1 26 LYS HZ1 H -9.494 0.245 -15.192 1.00 . A A . 26 LYS HZ1 1 1 1 394 1 1 26 LYS HZ2 H -10.356 -1.043 -14.517 1.00 . A A . 26 LYS HZ2 1 1 1 395 1 1 26 LYS HZ3 H -8.685 -1.171 -14.742 1.00 . A A . 26 LYS HZ3 1 1 1 396 1 1 26 LYS N N -7.155 -2.482 -8.054 1.00 . A A . 26 LYS N 1 1 1 397 1 1 26 LYS NZ N -9.457 -0.521 -14.490 1.00 . A A . 26 LYS NZ 1 1 1 398 1 1 26 LYS O O -5.746 -2.380 -11.391 1.00 . A A . 26 LYS O 1 1 1 399 1 1 27 ALA C C -2.698 -4.088 -9.257 1.00 . A A . 27 ALA C 1 1 1 400 1 1 27 ALA CA C -3.480 -2.965 -9.947 1.00 . A A . 27 ALA CA 1 1 1 401 1 1 27 ALA CB C -2.696 -1.663 -9.881 1.00 . A A . 27 ALA CB 1 1 1 402 1 1 27 ALA H H -4.949 -2.840 -8.414 1.00 . A A . 27 ALA H 1 1 1 403 1 1 27 ALA HA H -3.600 -3.223 -10.988 1.00 . A A . 27 ALA HA 1 1 1 404 1 1 27 ALA HB1 H -3.362 -0.855 -9.621 1.00 . A A . 27 ALA HB1 1 1 1 405 1 1 27 ALA HB2 H -2.248 -1.464 -10.844 1.00 . A A . 27 ALA HB2 1 1 1 406 1 1 27 ALA HB3 H -1.921 -1.746 -9.134 1.00 . A A . 27 ALA HB3 1 1 1 407 1 1 27 ALA N N -4.818 -2.774 -9.382 1.00 . A A . 27 ALA N 1 1 1 408 1 1 27 ALA O O -1.575 -4.400 -9.655 1.00 . A A . 27 ALA O 1 1 1 409 1 1 28 GLY C C -1.399 -5.381 -6.753 1.00 . A A . 28 GLY C 1 1 1 410 1 1 28 GLY CA C -2.635 -5.791 -7.541 1.00 . A A . 28 GLY CA 1 1 1 411 1 1 28 GLY H H -4.181 -4.441 -7.968 1.00 . A A . 28 GLY H 1 1 1 412 1 1 28 GLY HA2 H -3.341 -6.244 -6.863 1.00 . A A . 28 GLY HA2 1 1 1 413 1 1 28 GLY HA3 H -2.351 -6.516 -8.272 1.00 . A A . 28 GLY HA3 1 1 1 414 1 1 28 GLY N N -3.290 -4.706 -8.237 1.00 . A A . 28 GLY N 1 1 1 415 1 1 28 GLY O O -0.792 -6.212 -6.076 1.00 . A A . 28 GLY O 1 1 1 416 1 1 29 LEU C C -0.228 -2.525 -5.133 1.00 . A A . 29 LEU C 1 1 1 417 1 1 29 LEU CA C 0.155 -3.619 -6.128 1.00 . A A . 29 LEU CA 1 1 1 418 1 1 29 LEU CB C 1.186 -3.083 -7.125 1.00 . A A . 29 LEU CB 1 1 1 419 1 1 29 LEU CD1 C 2.591 -4.618 -8.529 1.00 . A A . 29 LEU CD1 1 1 1 420 1 1 29 LEU CD2 C 3.691 -2.968 -7.006 1.00 . A A . 29 LEU CD2 1 1 1 421 1 1 29 LEU CG C 2.490 -3.883 -7.201 1.00 . A A . 29 LEU CG 1 1 1 422 1 1 29 LEU H H -1.537 -3.502 -7.394 1.00 . A A . 29 LEU H 1 1 1 423 1 1 29 LEU HA H 0.587 -4.446 -5.587 1.00 . A A . 29 LEU HA 1 1 1 424 1 1 29 LEU HB2 H 0.733 -3.076 -8.106 1.00 . A A . 29 LEU HB2 1 1 1 425 1 1 29 LEU HB3 H 1.428 -2.066 -6.853 1.00 . A A . 29 LEU HB3 1 1 1 426 1 1 29 LEU HD11 H 2.424 -3.924 -9.339 1.00 . A A . 29 LEU HD11 1 1 1 427 1 1 29 LEU HD12 H 1.847 -5.401 -8.564 1.00 . A A . 29 LEU HD12 1 1 1 428 1 1 29 LEU HD13 H 3.576 -5.053 -8.625 1.00 . A A . 29 LEU HD13 1 1 1 429 1 1 29 LEU HD21 H 3.919 -2.894 -5.954 1.00 . A A . 29 LEU HD21 1 1 1 430 1 1 29 LEU HD22 H 3.463 -1.987 -7.396 1.00 . A A . 29 LEU HD22 1 1 1 431 1 1 29 LEU HD23 H 4.543 -3.375 -7.531 1.00 . A A . 29 LEU HD23 1 1 1 432 1 1 29 LEU HG H 2.499 -4.619 -6.412 1.00 . A A . 29 LEU HG 1 1 1 433 1 1 29 LEU N N -1.021 -4.115 -6.840 1.00 . A A . 29 LEU N 1 1 1 434 1 1 29 LEU O O -1.367 -2.063 -5.115 1.00 . A A . 29 LEU O 1 1 1 435 1 1 30 CYS C C 1.015 0.274 -3.787 1.00 . A A . 30 CYS C 1 1 1 436 1 1 30 CYS CA C 0.479 -1.070 -3.320 1.00 . A A . 30 CYS CA 1 1 1 437 1 1 30 CYS CB C 1.103 -1.420 -1.971 1.00 . A A . 30 CYS CB 1 1 1 438 1 1 30 CYS H H 1.623 -2.514 -4.367 1.00 . A A . 30 CYS H 1 1 1 439 1 1 30 CYS HA H -0.588 -0.990 -3.201 1.00 . A A . 30 CYS HA 1 1 1 440 1 1 30 CYS HB2 H 2.170 -1.264 -2.027 1.00 . A A . 30 CYS HB2 1 1 1 441 1 1 30 CYS HB3 H 0.690 -0.763 -1.219 1.00 . A A . 30 CYS HB3 1 1 1 442 1 1 30 CYS N N 0.731 -2.112 -4.308 1.00 . A A . 30 CYS N 1 1 1 443 1 1 30 CYS O O 1.619 0.385 -4.854 1.00 . A A . 30 CYS O 1 1 1 444 1 1 30 CYS SG S 0.813 -3.136 -1.430 1.00 . A A . 30 CYS SG 1 1 1 445 1 1 31 GLN C C 1.558 3.429 -2.013 1.00 . A A . 31 GLN C 1 1 1 446 1 1 31 GLN CA C 1.244 2.643 -3.281 1.00 . A A . 31 GLN CA 1 1 1 447 1 1 31 GLN CB C 0.191 3.385 -4.104 1.00 . A A . 31 GLN CB 1 1 1 448 1 1 31 GLN CD C 1.577 3.988 -6.128 1.00 . A A . 31 GLN CD 1 1 1 449 1 1 31 GLN CG C 0.765 4.506 -4.956 1.00 . A A . 31 GLN CG 1 1 1 450 1 1 31 GLN H H 0.305 1.131 -2.133 1.00 . A A . 31 GLN H 1 1 1 451 1 1 31 GLN HA H 2.144 2.555 -3.865 1.00 . A A . 31 GLN HA 1 1 1 452 1 1 31 GLN HB2 H -0.301 2.681 -4.759 1.00 . A A . 31 GLN HB2 1 1 1 453 1 1 31 GLN HB3 H -0.540 3.811 -3.433 1.00 . A A . 31 GLN HB3 1 1 1 454 1 1 31 GLN HE21 H 0.556 5.148 -7.379 1.00 . A A . 31 GLN HE21 1 1 1 455 1 1 31 GLN HE22 H 1.784 4.168 -8.098 1.00 . A A . 31 GLN HE22 1 1 1 456 1 1 31 GLN HG2 H -0.048 5.104 -5.336 1.00 . A A . 31 GLN HG2 1 1 1 457 1 1 31 GLN HG3 H 1.404 5.119 -4.337 1.00 . A A . 31 GLN HG3 1 1 1 458 1 1 31 GLN N N 0.787 1.294 -2.970 1.00 . A A . 31 GLN N 1 1 1 459 1 1 31 GLN NE2 N 1.275 4.485 -7.322 1.00 . A A . 31 GLN NE2 1 1 1 460 1 1 31 GLN O O 0.818 3.364 -1.029 1.00 . A A . 31 GLN O 1 1 1 461 1 1 31 GLN OE1 O 2.464 3.151 -5.963 1.00 . A A . 31 GLN OE1 1 1 1 462 1 1 32 THR C C 2.323 6.352 -0.909 1.00 . A A . 32 THR C 1 1 1 463 1 1 32 THR CA C 3.061 5.011 -0.915 1.00 . A A . 32 THR CA 1 1 1 464 1 1 32 THR CB C 4.575 5.233 -0.940 1.00 . A A . 32 THR CB 1 1 1 465 1 1 32 THR CG2 C 5.028 6.243 -1.977 1.00 . A A . 32 THR CG2 1 1 1 466 1 1 32 THR H H 3.193 4.200 -2.866 1.00 . A A . 32 THR H 1 1 1 467 1 1 32 THR HA H 2.799 4.481 -0.016 1.00 . A A . 32 THR HA 1 1 1 468 1 1 32 THR HB H 5.052 4.293 -1.167 1.00 . A A . 32 THR HB 1 1 1 469 1 1 32 THR HG1 H 5.897 5.282 0.505 1.00 . A A . 32 THR HG1 1 1 1 470 1 1 32 THR HG21 H 5.076 7.224 -1.529 1.00 . A A . 32 THR HG21 1 1 1 471 1 1 32 THR HG22 H 4.329 6.254 -2.801 1.00 . A A . 32 THR HG22 1 1 1 472 1 1 32 THR HG23 H 6.008 5.968 -2.341 1.00 . A A . 32 THR HG23 1 1 1 473 1 1 32 THR N N 2.654 4.184 -2.049 1.00 . A A . 32 THR N 1 1 1 474 1 1 32 THR O O 2.866 7.370 -0.479 1.00 . A A . 32 THR O 1 1 1 475 1 1 32 THR OG1 O 5.039 5.675 0.323 1.00 . A A . 32 THR OG1 1 1 1 476 1 1 33 PHE C C 0.856 8.577 -2.429 1.00 . A A . 33 PHE C 1 1 1 477 1 1 33 PHE CA C 0.264 7.549 -1.467 1.00 . A A . 33 PHE CA 1 1 1 478 1 1 33 PHE CB C 0.100 8.176 -0.078 1.00 . A A . 33 PHE CB 1 1 1 479 1 1 33 PHE CD1 C -2.120 7.486 0.864 1.00 . A A . 33 PHE CD1 1 1 1 480 1 1 33 PHE CD2 C -0.152 6.454 1.728 1.00 . A A . 33 PHE CD2 1 1 1 481 1 1 33 PHE CE1 C -2.896 6.730 1.721 1.00 . A A . 33 PHE CE1 1 1 1 482 1 1 33 PHE CE2 C -0.923 5.695 2.587 1.00 . A A . 33 PHE CE2 1 1 1 483 1 1 33 PHE CG C -0.740 7.358 0.858 1.00 . A A . 33 PHE CG 1 1 1 484 1 1 33 PHE CZ C -2.297 5.834 2.584 1.00 . A A . 33 PHE CZ 1 1 1 485 1 1 33 PHE H H 0.721 5.503 -1.734 1.00 . A A . 33 PHE H 1 1 1 486 1 1 33 PHE HA H -0.710 7.255 -1.833 1.00 . A A . 33 PHE HA 1 1 1 487 1 1 33 PHE HB2 H 1.071 8.302 0.373 1.00 . A A . 33 PHE HB2 1 1 1 488 1 1 33 PHE HB3 H -0.368 9.144 -0.183 1.00 . A A . 33 PHE HB3 1 1 1 489 1 1 33 PHE HD1 H -2.589 8.187 0.189 1.00 . A A . 33 PHE HD1 1 1 1 490 1 1 33 PHE HD2 H 0.922 6.346 1.733 1.00 . A A . 33 PHE HD2 1 1 1 491 1 1 33 PHE HE1 H -3.970 6.840 1.716 1.00 . A A . 33 PHE HE1 1 1 1 492 1 1 33 PHE HE2 H -0.453 4.992 3.257 1.00 . A A . 33 PHE HE2 1 1 1 493 1 1 33 PHE HZ H -2.901 5.241 3.254 1.00 . A A . 33 PHE HZ 1 1 1 494 1 1 33 PHE N N 1.089 6.343 -1.401 1.00 . A A . 33 PHE N 1 1 1 495 1 1 33 PHE O O 2.042 8.534 -2.752 1.00 . A A . 33 PHE O 1 1 1 496 1 1 34 ALA C C -0.634 11.629 -3.914 1.00 . A A . 34 ALA C 1 1 1 497 1 1 34 ALA CA C 0.433 10.542 -3.810 1.00 . A A . 34 ALA CA 1 1 1 498 1 1 34 ALA CB C 0.722 9.951 -5.181 1.00 . A A . 34 ALA CB 1 1 1 499 1 1 34 ALA H H -0.922 9.473 -2.588 1.00 . A A . 34 ALA H 1 1 1 500 1 1 34 ALA HA H 1.345 10.980 -3.429 1.00 . A A . 34 ALA HA 1 1 1 501 1 1 34 ALA HB1 H 1.041 10.735 -5.852 1.00 . A A . 34 ALA HB1 1 1 1 502 1 1 34 ALA HB2 H -0.173 9.487 -5.569 1.00 . A A . 34 ALA HB2 1 1 1 503 1 1 34 ALA HB3 H 1.504 9.210 -5.096 1.00 . A A . 34 ALA HB3 1 1 1 504 1 1 34 ALA N N 0.013 9.497 -2.884 1.00 . A A . 34 ALA N 1 1 1 505 1 1 34 ALA O O -1.732 11.486 -3.368 1.00 . A A . 34 ALA O 1 1 1 506 1 1 35 TYR C C -1.946 14.133 -3.453 1.00 . A A . 35 TYR C 1 1 1 507 1 1 35 TYR CA C -1.262 13.823 -4.770 1.00 . A A . 35 TYR CA 1 1 1 508 1 1 35 TYR CB C -2.306 13.473 -5.834 1.00 . A A . 35 TYR CB 1 1 1 509 1 1 35 TYR CD1 C -2.399 15.869 -6.639 1.00 . A A . 35 TYR CD1 1 1 1 510 1 1 35 TYR CD2 C -2.548 14.126 -8.260 1.00 . A A . 35 TYR CD2 1 1 1 511 1 1 35 TYR CE1 C -2.499 16.813 -7.643 1.00 . A A . 35 TYR CE1 1 1 1 512 1 1 35 TYR CE2 C -2.648 15.066 -9.267 1.00 . A A . 35 TYR CE2 1 1 1 513 1 1 35 TYR CG C -2.422 14.508 -6.931 1.00 . A A . 35 TYR CG 1 1 1 514 1 1 35 TYR CZ C -2.624 16.408 -8.953 1.00 . A A . 35 TYR CZ 1 1 1 515 1 1 35 TYR H H 0.574 12.785 -5.024 1.00 . A A . 35 TYR H 1 1 1 516 1 1 35 TYR HA H -0.735 14.703 -5.089 1.00 . A A . 35 TYR HA 1 1 1 517 1 1 35 TYR HB2 H -2.038 12.535 -6.292 1.00 . A A . 35 TYR HB2 1 1 1 518 1 1 35 TYR HB3 H -3.271 13.376 -5.363 1.00 . A A . 35 TYR HB3 1 1 1 519 1 1 35 TYR HD1 H -2.296 16.187 -5.612 1.00 . A A . 35 TYR HD1 1 1 1 520 1 1 35 TYR HD2 H -2.569 13.073 -8.503 1.00 . A A . 35 TYR HD2 1 1 1 521 1 1 35 TYR HE1 H -2.480 17.866 -7.397 1.00 . A A . 35 TYR HE1 1 1 1 522 1 1 35 TYR HE2 H -2.746 14.748 -10.294 1.00 . A A . 35 TYR HE2 1 1 1 523 1 1 35 TYR HH H -1.848 17.551 -10.290 1.00 . A A . 35 TYR HH 1 1 1 524 1 1 35 TYR N N -0.313 12.720 -4.613 1.00 . A A . 35 TYR N 1 1 1 525 1 1 35 TYR O O -1.514 13.696 -2.387 1.00 . A A . 35 TYR O 1 1 1 526 1 1 35 TYR OH O -2.724 17.346 -9.954 1.00 . A A . 35 TYR OH 1 1 1 527 1 1 36 GLY C C -4.564 14.100 -1.780 1.00 . A A . 36 GLY C 1 1 1 528 1 1 36 GLY CA C -3.766 15.261 -2.359 1.00 . A A . 36 GLY CA 1 1 1 529 1 1 36 GLY H H -3.288 15.206 -4.424 1.00 . A A . 36 GLY H 1 1 1 530 1 1 36 GLY HA2 H -3.079 15.624 -1.606 1.00 . A A . 36 GLY HA2 1 1 1 531 1 1 36 GLY HA3 H -4.449 16.058 -2.618 1.00 . A A . 36 GLY HA3 1 1 1 532 1 1 36 GLY N N -3.012 14.891 -3.541 1.00 . A A . 36 GLY N 1 1 1 533 1 1 36 GLY O O -5.540 14.319 -1.063 1.00 . A A . 36 GLY O 1 1 1 534 1 1 37 ALA C C -4.736 11.595 -0.062 1.00 . A A . 37 ALA C 1 1 1 535 1 1 37 ALA CA C -4.863 11.690 -1.576 1.00 . A A . 37 ALA CA 1 1 1 536 1 1 37 ALA CB C -4.335 10.421 -2.231 1.00 . A A . 37 ALA CB 1 1 1 537 1 1 37 ALA H H -3.377 12.732 -2.662 1.00 . A A . 37 ALA H 1 1 1 538 1 1 37 ALA HA H -5.907 11.791 -1.832 1.00 . A A . 37 ALA HA 1 1 1 539 1 1 37 ALA HB1 H -4.194 10.593 -3.288 1.00 . A A . 37 ALA HB1 1 1 1 540 1 1 37 ALA HB2 H -5.048 9.620 -2.089 1.00 . A A . 37 ALA HB2 1 1 1 541 1 1 37 ALA HB3 H -3.392 10.147 -1.780 1.00 . A A . 37 ALA HB3 1 1 1 542 1 1 37 ALA N N -4.160 12.862 -2.086 1.00 . A A . 37 ALA N 1 1 1 543 1 1 37 ALA O O -3.640 11.696 0.489 1.00 . A A . 37 ALA O 1 1 1 544 1 1 38 CYS C C -5.569 9.864 2.509 1.00 . A A . 38 CYS C 1 1 1 545 1 1 38 CYS CA C -5.889 11.287 2.058 1.00 . A A . 38 CYS CA 1 1 1 546 1 1 38 CYS CB C -7.257 11.704 2.596 1.00 . A A . 38 CYS CB 1 1 1 547 1 1 38 CYS H H -6.707 11.322 0.108 1.00 . A A . 38 CYS H 1 1 1 548 1 1 38 CYS HA H -5.138 11.955 2.454 1.00 . A A . 38 CYS HA 1 1 1 549 1 1 38 CYS HB2 H -7.992 11.613 1.808 1.00 . A A . 38 CYS HB2 1 1 1 550 1 1 38 CYS HB3 H -7.530 11.045 3.408 1.00 . A A . 38 CYS HB3 1 1 1 551 1 1 38 CYS N N -5.866 11.396 0.605 1.00 . A A . 38 CYS N 1 1 1 552 1 1 38 CYS O O -5.809 8.901 1.781 1.00 . A A . 38 CYS O 1 1 1 553 1 1 38 CYS SG S -7.328 13.414 3.226 1.00 . A A . 38 CYS SG 1 1 1 554 1 1 39 ALA C C -5.952 7.628 4.590 1.00 . A A . 39 ALA C 1 1 1 555 1 1 39 ALA CA C -4.695 8.435 4.276 1.00 . A A . 39 ALA CA 1 1 1 556 1 1 39 ALA CB C -3.841 8.602 5.525 1.00 . A A . 39 ALA CB 1 1 1 557 1 1 39 ALA H H -4.882 10.544 4.259 1.00 . A A . 39 ALA H 1 1 1 558 1 1 39 ALA HA H -4.113 7.902 3.539 1.00 . A A . 39 ALA HA 1 1 1 559 1 1 39 ALA HB1 H -3.641 9.651 5.685 1.00 . A A . 39 ALA HB1 1 1 1 560 1 1 39 ALA HB2 H -2.909 8.074 5.396 1.00 . A A . 39 ALA HB2 1 1 1 561 1 1 39 ALA HB3 H -4.367 8.202 6.379 1.00 . A A . 39 ALA HB3 1 1 1 562 1 1 39 ALA N N -5.038 9.740 3.721 1.00 . A A . 39 ALA N 1 1 1 563 1 1 39 ALA O O -6.890 8.137 5.204 1.00 . A A . 39 ALA O 1 1 1 564 1 1 40 ALA C C -7.076 4.914 5.812 1.00 . A A . 40 ALA C 1 1 1 565 1 1 40 ALA CA C -7.106 5.492 4.401 1.00 . A A . 40 ALA CA 1 1 1 566 1 1 40 ALA CB C -7.134 4.372 3.372 1.00 . A A . 40 ALA CB 1 1 1 567 1 1 40 ALA H H -5.187 6.020 3.681 1.00 . A A . 40 ALA H 1 1 1 568 1 1 40 ALA HA H -8.006 6.079 4.283 1.00 . A A . 40 ALA HA 1 1 1 569 1 1 40 ALA HB1 H -7.593 3.495 3.806 1.00 . A A . 40 ALA HB1 1 1 1 570 1 1 40 ALA HB2 H -6.124 4.136 3.070 1.00 . A A . 40 ALA HB2 1 1 1 571 1 1 40 ALA HB3 H -7.703 4.688 2.511 1.00 . A A . 40 ALA HB3 1 1 1 572 1 1 40 ALA N N -5.964 6.368 4.165 1.00 . A A . 40 ALA N 1 1 1 573 1 1 40 ALA O O -6.008 4.738 6.399 1.00 . A A . 40 ALA O 1 1 1 574 1 1 41 LYS C C -7.704 2.687 7.772 1.00 . A A . 41 LYS C 1 1 1 575 1 1 41 LYS CA C -8.364 4.064 7.696 1.00 . A A . 41 LYS CA 1 1 1 576 1 1 41 LYS CB C -9.833 3.964 8.116 1.00 . A A . 41 LYS CB 1 1 1 577 1 1 41 LYS CD C -11.533 5.174 9.520 1.00 . A A . 41 LYS CD 1 1 1 578 1 1 41 LYS CE C -12.277 4.714 10.764 1.00 . A A . 41 LYS CE 1 1 1 579 1 1 41 LYS CG C -10.126 4.599 9.466 1.00 . A A . 41 LYS CG 1 1 1 580 1 1 41 LYS H H -9.071 4.787 5.836 1.00 . A A . 41 LYS H 1 1 1 581 1 1 41 LYS HA H -7.851 4.732 8.373 1.00 . A A . 41 LYS HA 1 1 1 582 1 1 41 LYS HB2 H -10.443 4.456 7.372 1.00 . A A . 41 LYS HB2 1 1 1 583 1 1 41 LYS HB3 H -10.113 2.922 8.165 1.00 . A A . 41 LYS HB3 1 1 1 584 1 1 41 LYS HD2 H -11.472 6.252 9.528 1.00 . A A . 41 LYS HD2 1 1 1 585 1 1 41 LYS HD3 H -12.078 4.849 8.646 1.00 . A A . 41 LYS HD3 1 1 1 586 1 1 41 LYS HE2 H -12.625 3.704 10.607 1.00 . A A . 41 LYS HE2 1 1 1 587 1 1 41 LYS HE3 H -11.597 4.733 11.603 1.00 . A A . 41 LYS HE3 1 1 1 588 1 1 41 LYS HG2 H -10.023 3.849 10.235 1.00 . A A . 41 LYS HG2 1 1 1 589 1 1 41 LYS HG3 H -9.415 5.395 9.639 1.00 . A A . 41 LYS HG3 1 1 1 590 1 1 41 LYS HZ1 H -13.124 6.551 11.284 1.00 . A A . 41 LYS HZ1 1 1 1 591 1 1 41 LYS HZ2 H -13.965 5.214 11.889 1.00 . A A . 41 LYS HZ2 1 1 1 592 1 1 41 LYS HZ3 H -14.088 5.620 10.251 1.00 . A A . 41 LYS HZ3 1 1 1 593 1 1 41 LYS N N -8.255 4.622 6.352 1.00 . A A . 41 LYS N 1 1 1 594 1 1 41 LYS NZ N -13.445 5.586 11.069 1.00 . A A . 41 LYS NZ 1 1 1 595 1 1 41 LYS O O -6.711 2.501 8.474 1.00 . A A . 41 LYS O 1 1 1 596 1 1 42 ARG C C -6.635 0.201 6.011 1.00 . A A . 42 ARG C 1 1 1 597 1 1 42 ARG CA C -7.751 0.363 7.039 1.00 . A A . 42 ARG CA 1 1 1 598 1 1 42 ARG CB C -8.870 -0.637 6.732 1.00 . A A . 42 ARG CB 1 1 1 599 1 1 42 ARG CD C -9.670 -1.005 9.087 1.00 . A A . 42 ARG CD 1 1 1 600 1 1 42 ARG CG C -10.051 -0.557 7.685 1.00 . A A . 42 ARG CG 1 1 1 601 1 1 42 ARG CZ C -10.600 0.709 10.597 1.00 . A A . 42 ARG CZ 1 1 1 602 1 1 42 ARG H H -9.063 1.931 6.518 1.00 . A A . 42 ARG H 1 1 1 603 1 1 42 ARG HA H -7.357 0.153 8.020 1.00 . A A . 42 ARG HA 1 1 1 604 1 1 42 ARG HB2 H -9.231 -0.456 5.730 1.00 . A A . 42 ARG HB2 1 1 1 605 1 1 42 ARG HB3 H -8.463 -1.636 6.782 1.00 . A A . 42 ARG HB3 1 1 1 606 1 1 42 ARG HD2 H -10.426 -1.684 9.452 1.00 . A A . 42 ARG HD2 1 1 1 607 1 1 42 ARG HD3 H -8.720 -1.518 9.041 1.00 . A A . 42 ARG HD3 1 1 1 608 1 1 42 ARG HE H -8.658 0.454 10.212 1.00 . A A . 42 ARG HE 1 1 1 609 1 1 42 ARG HG2 H -10.400 0.463 7.727 1.00 . A A . 42 ARG HG2 1 1 1 610 1 1 42 ARG HG3 H -10.841 -1.198 7.315 1.00 . A A . 42 ARG HG3 1 1 1 611 1 1 42 ARG HH11 H -11.985 -0.474 9.714 1.00 . A A . 42 ARG HH11 1 1 1 612 1 1 42 ARG HH12 H -12.614 0.733 10.785 1.00 . A A . 42 ARG HH12 1 1 1 613 1 1 42 ARG HH21 H -9.482 2.040 11.629 1.00 . A A . 42 ARG HH21 1 1 1 614 1 1 42 ARG HH22 H -11.193 2.161 11.871 1.00 . A A . 42 ARG HH22 1 1 1 615 1 1 42 ARG N N -8.272 1.724 7.050 1.00 . A A . 42 ARG N 1 1 1 616 1 1 42 ARG NE N -9.557 0.121 10.013 1.00 . A A . 42 ARG NE 1 1 1 617 1 1 42 ARG NH1 N -11.834 0.288 10.344 1.00 . A A . 42 ARG NH1 1 1 1 618 1 1 42 ARG NH2 N -10.409 1.720 11.434 1.00 . A A . 42 ARG NH2 1 1 1 619 1 1 42 ARG O O -5.641 -0.480 6.261 1.00 . A A . 42 ARG O 1 1 1 620 1 1 43 ASN C C -4.656 1.550 4.025 1.00 . A A . 43 ASN C 1 1 1 621 1 1 43 ASN CA C -5.871 0.670 3.752 1.00 . A A . 43 ASN CA 1 1 1 622 1 1 43 ASN CB C -6.542 1.096 2.447 1.00 . A A . 43 ASN CB 1 1 1 623 1 1 43 ASN CG C -6.314 0.089 1.356 1.00 . A A . 43 ASN CG 1 1 1 624 1 1 43 ASN H H -7.665 1.265 4.668 1.00 . A A . 43 ASN H 1 1 1 625 1 1 43 ASN HA H -5.558 -0.359 3.681 1.00 . A A . 43 ASN HA 1 1 1 626 1 1 43 ASN HB2 H -7.605 1.193 2.608 1.00 . A A . 43 ASN HB2 1 1 1 627 1 1 43 ASN HB3 H -6.139 2.046 2.129 1.00 . A A . 43 ASN HB3 1 1 1 628 1 1 43 ASN HD21 H -7.381 -1.189 2.425 1.00 . A A . 43 ASN HD21 1 1 1 629 1 1 43 ASN HD22 H -6.766 -1.788 0.912 1.00 . A A . 43 ASN HD22 1 1 1 630 1 1 43 ASN N N -6.833 0.785 4.834 1.00 . A A . 43 ASN N 1 1 1 631 1 1 43 ASN ND2 N -6.873 -1.082 1.582 1.00 . A A . 43 ASN ND2 1 1 1 632 1 1 43 ASN O O -4.443 2.566 3.362 1.00 . A A . 43 ASN O 1 1 1 633 1 1 43 ASN OD1 O -5.680 0.356 0.334 1.00 . A A . 43 ASN OD1 1 1 1 634 1 1 44 ASN C C -1.667 1.020 6.116 1.00 . A A . 44 ASN C 1 1 1 635 1 1 44 ASN CA C -2.680 1.910 5.399 1.00 . A A . 44 ASN CA 1 1 1 636 1 1 44 ASN CB C -3.074 3.080 6.304 1.00 . A A . 44 ASN CB 1 1 1 637 1 1 44 ASN CG C -3.744 2.621 7.585 1.00 . A A . 44 ASN CG 1 1 1 638 1 1 44 ASN H H -4.101 0.343 5.514 1.00 . A A . 44 ASN H 1 1 1 639 1 1 44 ASN HA H -2.229 2.299 4.498 1.00 . A A . 44 ASN HA 1 1 1 640 1 1 44 ASN HB2 H -2.189 3.643 6.563 1.00 . A A . 44 ASN HB2 1 1 1 641 1 1 44 ASN HB3 H -3.760 3.723 5.770 1.00 . A A . 44 ASN HB3 1 1 1 642 1 1 44 ASN HD21 H -3.511 4.426 8.386 1.00 . A A . 44 ASN HD21 1 1 1 643 1 1 44 ASN HD22 H -4.289 3.256 9.389 1.00 . A A . 44 ASN HD22 1 1 1 644 1 1 44 ASN N N -3.870 1.157 5.019 1.00 . A A . 44 ASN N 1 1 1 645 1 1 44 ASN ND2 N -3.859 3.526 8.551 1.00 . A A . 44 ASN ND2 1 1 1 646 1 1 44 ASN O O -1.857 0.666 7.279 1.00 . A A . 44 ASN O 1 1 1 647 1 1 44 ASN OD1 O -4.152 1.466 7.707 1.00 . A A . 44 ASN OD1 1 1 1 648 1 1 45 PHE C C 1.713 0.632 6.270 1.00 . A A . 45 PHE C 1 1 1 649 1 1 45 PHE CA C 0.449 -0.177 6.006 1.00 . A A . 45 PHE CA 1 1 1 650 1 1 45 PHE CB C 0.754 -1.349 5.076 1.00 . A A . 45 PHE CB 1 1 1 651 1 1 45 PHE CD1 C -1.425 -2.140 4.131 1.00 . A A . 45 PHE CD1 1 1 1 652 1 1 45 PHE CD2 C -0.381 -3.457 5.825 1.00 . A A . 45 PHE CD2 1 1 1 653 1 1 45 PHE CE1 C -2.473 -3.038 4.075 1.00 . A A . 45 PHE CE1 1 1 1 654 1 1 45 PHE CE2 C -1.426 -4.361 5.771 1.00 . A A . 45 PHE CE2 1 1 1 655 1 1 45 PHE CG C -0.369 -2.339 5.004 1.00 . A A . 45 PHE CG 1 1 1 656 1 1 45 PHE CZ C -2.475 -4.151 4.895 1.00 . A A . 45 PHE CZ 1 1 1 657 1 1 45 PHE H H -0.481 0.972 4.500 1.00 . A A . 45 PHE H 1 1 1 658 1 1 45 PHE HA H 0.077 -0.563 6.946 1.00 . A A . 45 PHE HA 1 1 1 659 1 1 45 PHE HB2 H 0.936 -0.974 4.077 1.00 . A A . 45 PHE HB2 1 1 1 660 1 1 45 PHE HB3 H 1.634 -1.862 5.433 1.00 . A A . 45 PHE HB3 1 1 1 661 1 1 45 PHE HD1 H -1.425 -1.273 3.488 1.00 . A A . 45 PHE HD1 1 1 1 662 1 1 45 PHE HD2 H 0.438 -3.621 6.509 1.00 . A A . 45 PHE HD2 1 1 1 663 1 1 45 PHE HE1 H -3.291 -2.868 3.392 1.00 . A A . 45 PHE HE1 1 1 1 664 1 1 45 PHE HE2 H -1.424 -5.229 6.414 1.00 . A A . 45 PHE HE2 1 1 1 665 1 1 45 PHE HZ H -3.294 -4.853 4.852 1.00 . A A . 45 PHE HZ 1 1 1 666 1 1 45 PHE N N -0.586 0.664 5.423 1.00 . A A . 45 PHE N 1 1 1 667 1 1 45 PHE O O 2.065 1.523 5.496 1.00 . A A . 45 PHE O 1 1 1 668 1 1 46 LYS C C 4.710 0.812 6.705 1.00 . A A . 46 LYS C 1 1 1 669 1 1 46 LYS CA C 3.610 1.029 7.741 1.00 . A A . 46 LYS CA 1 1 1 670 1 1 46 LYS CB C 4.091 0.565 9.117 1.00 . A A . 46 LYS CB 1 1 1 671 1 1 46 LYS CD C 3.827 0.717 11.612 1.00 . A A . 46 LYS CD 1 1 1 672 1 1 46 LYS CE C 3.070 1.386 12.748 1.00 . A A . 46 LYS CE 1 1 1 673 1 1 46 LYS CG C 3.231 1.077 10.261 1.00 . A A . 46 LYS CG 1 1 1 674 1 1 46 LYS H H 2.053 -0.389 7.954 1.00 . A A . 46 LYS H 1 1 1 675 1 1 46 LYS HA H 3.382 2.082 7.788 1.00 . A A . 46 LYS HA 1 1 1 676 1 1 46 LYS HB2 H 4.084 -0.514 9.144 1.00 . A A . 46 LYS HB2 1 1 1 677 1 1 46 LYS HB3 H 5.101 0.915 9.269 1.00 . A A . 46 LYS HB3 1 1 1 678 1 1 46 LYS HD2 H 3.777 -0.354 11.742 1.00 . A A . 46 LYS HD2 1 1 1 679 1 1 46 LYS HD3 H 4.858 1.038 11.637 1.00 . A A . 46 LYS HD3 1 1 1 680 1 1 46 LYS HE2 H 3.723 1.454 13.606 1.00 . A A . 46 LYS HE2 1 1 1 681 1 1 46 LYS HE3 H 2.783 2.380 12.436 1.00 . A A . 46 LYS HE3 1 1 1 682 1 1 46 LYS HG2 H 3.155 2.152 10.188 1.00 . A A . 46 LYS HG2 1 1 1 683 1 1 46 LYS HG3 H 2.247 0.638 10.183 1.00 . A A . 46 LYS HG3 1 1 1 684 1 1 46 LYS HZ1 H 1.145 1.265 13.548 1.00 . A A . 46 LYS HZ1 1 1 1 685 1 1 46 LYS HZ2 H 2.087 -0.114 13.818 1.00 . A A . 46 LYS HZ2 1 1 1 686 1 1 46 LYS HZ3 H 1.433 0.176 12.286 1.00 . A A . 46 LYS HZ3 1 1 1 687 1 1 46 LYS N N 2.387 0.325 7.372 1.00 . A A . 46 LYS N 1 1 1 688 1 1 46 LYS NZ N 1.848 0.625 13.127 1.00 . A A . 46 LYS NZ 1 1 1 689 1 1 46 LYS O O 5.695 1.550 6.672 1.00 . A A . 46 LYS O 1 1 1 690 1 1 47 SER C C 4.884 -1.225 3.655 1.00 . A A . 47 SER C 1 1 1 691 1 1 47 SER CA C 5.524 -0.503 4.829 1.00 . A A . 47 SER CA 1 1 1 692 1 1 47 SER CB C 6.653 -1.362 5.398 1.00 . A A . 47 SER CB 1 1 1 693 1 1 47 SER H H 3.738 -0.757 5.931 1.00 . A A . 47 SER H 1 1 1 694 1 1 47 SER HA H 5.936 0.430 4.482 1.00 . A A . 47 SER HA 1 1 1 695 1 1 47 SER HB2 H 6.864 -2.175 4.714 1.00 . A A . 47 SER HB2 1 1 1 696 1 1 47 SER HB3 H 7.535 -0.754 5.516 1.00 . A A . 47 SER HB3 1 1 1 697 1 1 47 SER HG H 6.258 -1.210 7.311 1.00 . A A . 47 SER HG 1 1 1 698 1 1 47 SER N N 4.540 -0.200 5.860 1.00 . A A . 47 SER N 1 1 1 699 1 1 47 SER O O 3.941 -1.998 3.826 1.00 . A A . 47 SER O 1 1 1 700 1 1 47 SER OG O 6.297 -1.910 6.656 1.00 . A A . 47 SER OG 1 1 1 701 1 1 48 ALA C C 5.001 -3.138 1.408 1.00 . A A . 48 ALA C 1 1 1 702 1 1 48 ALA CA C 4.893 -1.633 1.266 1.00 . A A . 48 ALA CA 1 1 1 703 1 1 48 ALA CB C 5.625 -1.151 0.021 1.00 . A A . 48 ALA CB 1 1 1 704 1 1 48 ALA H H 6.175 -0.373 2.388 1.00 . A A . 48 ALA H 1 1 1 705 1 1 48 ALA HA H 3.846 -1.372 1.178 1.00 . A A . 48 ALA HA 1 1 1 706 1 1 48 ALA HB1 H 4.957 -0.554 -0.581 1.00 . A A . 48 ALA HB1 1 1 1 707 1 1 48 ALA HB2 H 5.961 -2.002 -0.553 1.00 . A A . 48 ALA HB2 1 1 1 708 1 1 48 ALA HB3 H 6.478 -0.556 0.312 1.00 . A A . 48 ALA HB3 1 1 1 709 1 1 48 ALA N N 5.413 -0.986 2.462 1.00 . A A . 48 ALA N 1 1 1 710 1 1 48 ALA O O 4.106 -3.878 1.000 1.00 . A A . 48 ALA O 1 1 1 711 1 1 49 GLU C C 5.139 -5.503 3.123 1.00 . A A . 49 GLU C 1 1 1 712 1 1 49 GLU CA C 6.281 -5.005 2.257 1.00 . A A . 49 GLU CA 1 1 1 713 1 1 49 GLU CB C 7.626 -5.265 2.940 1.00 . A A . 49 GLU CB 1 1 1 714 1 1 49 GLU CD C 9.344 -6.982 3.631 1.00 . A A . 49 GLU CD 1 1 1 715 1 1 49 GLU CG C 7.927 -6.740 3.147 1.00 . A A . 49 GLU CG 1 1 1 716 1 1 49 GLU H H 6.755 -2.950 2.353 1.00 . A A . 49 GLU H 1 1 1 717 1 1 49 GLU HA H 6.254 -5.511 1.303 1.00 . A A . 49 GLU HA 1 1 1 718 1 1 49 GLU HB2 H 8.413 -4.842 2.333 1.00 . A A . 49 GLU HB2 1 1 1 719 1 1 49 GLU HB3 H 7.627 -4.780 3.904 1.00 . A A . 49 GLU HB3 1 1 1 720 1 1 49 GLU HG2 H 7.242 -7.135 3.882 1.00 . A A . 49 GLU HG2 1 1 1 721 1 1 49 GLU HG3 H 7.788 -7.259 2.211 1.00 . A A . 49 GLU HG3 1 1 1 722 1 1 49 GLU N N 6.089 -3.588 2.025 1.00 . A A . 49 GLU N 1 1 1 723 1 1 49 GLU O O 4.605 -6.590 2.910 1.00 . A A . 49 GLU O 1 1 1 724 1 1 49 GLU OE1 O 9.868 -6.134 4.383 1.00 . A A . 49 GLU OE1 1 1 1 725 1 1 49 GLU OE2 O 9.929 -8.020 3.256 1.00 . A A . 49 GLU OE2 1 1 1 726 1 1 50 ASP C C 2.341 -5.083 4.183 1.00 . A A . 50 ASP C 1 1 1 727 1 1 50 ASP CA C 3.643 -4.990 4.973 1.00 . A A . 50 ASP CA 1 1 1 728 1 1 50 ASP CB C 3.522 -3.941 6.079 1.00 . A A . 50 ASP CB 1 1 1 729 1 1 50 ASP CG C 3.371 -4.566 7.453 1.00 . A A . 50 ASP CG 1 1 1 730 1 1 50 ASP H H 5.203 -3.801 4.181 1.00 . A A . 50 ASP H 1 1 1 731 1 1 50 ASP HA H 3.848 -5.951 5.421 1.00 . A A . 50 ASP HA 1 1 1 732 1 1 50 ASP HB2 H 4.408 -3.323 6.081 1.00 . A A . 50 ASP HB2 1 1 1 733 1 1 50 ASP HB3 H 2.658 -3.324 5.888 1.00 . A A . 50 ASP HB3 1 1 1 734 1 1 50 ASP N N 4.748 -4.667 4.084 1.00 . A A . 50 ASP N 1 1 1 735 1 1 50 ASP O O 1.566 -6.023 4.365 1.00 . A A . 50 ASP O 1 1 1 736 1 1 50 ASP OD1 O 3.955 -5.646 7.680 1.00 . A A . 50 ASP OD1 1 1 1 737 1 1 50 ASP OD2 O 2.671 -3.975 8.301 1.00 . A A . 50 ASP OD2 1 1 1 738 1 1 51 CYS C C 0.858 -5.378 1.613 1.00 . A A . 51 CYS C 1 1 1 739 1 1 51 CYS CA C 0.892 -4.121 2.478 1.00 . A A . 51 CYS CA 1 1 1 740 1 1 51 CYS CB C 0.847 -2.865 1.596 1.00 . A A . 51 CYS CB 1 1 1 741 1 1 51 CYS H H 2.755 -3.379 3.173 1.00 . A A . 51 CYS H 1 1 1 742 1 1 51 CYS HA H 0.034 -4.125 3.141 1.00 . A A . 51 CYS HA 1 1 1 743 1 1 51 CYS HB2 H 0.587 -2.014 2.212 1.00 . A A . 51 CYS HB2 1 1 1 744 1 1 51 CYS HB3 H 1.828 -2.705 1.167 1.00 . A A . 51 CYS HB3 1 1 1 745 1 1 51 CYS N N 2.102 -4.113 3.292 1.00 . A A . 51 CYS N 1 1 1 746 1 1 51 CYS O O -0.099 -6.151 1.657 1.00 . A A . 51 CYS O 1 1 1 747 1 1 51 CYS SG S -0.353 -2.935 0.223 1.00 . A A . 51 CYS SG 1 1 1 748 1 1 52 LEU C C 1.877 -8.049 0.761 1.00 . A A . 52 LEU C 1 1 1 749 1 1 52 LEU CA C 2.024 -6.751 -0.029 1.00 . A A . 52 LEU CA 1 1 1 750 1 1 52 LEU CB C 3.365 -6.746 -0.766 1.00 . A A . 52 LEU CB 1 1 1 751 1 1 52 LEU CD1 C 4.963 -5.637 -2.340 1.00 . A A . 52 LEU CD1 1 1 1 752 1 1 52 LEU CD2 C 2.506 -5.494 -2.762 1.00 . A A . 52 LEU CD2 1 1 1 753 1 1 52 LEU CG C 3.590 -5.554 -1.696 1.00 . A A . 52 LEU CG 1 1 1 754 1 1 52 LEU H H 2.657 -4.937 0.860 1.00 . A A . 52 LEU H 1 1 1 755 1 1 52 LEU HA H 1.227 -6.694 -0.755 1.00 . A A . 52 LEU HA 1 1 1 756 1 1 52 LEU HB2 H 4.157 -6.757 -0.030 1.00 . A A . 52 LEU HB2 1 1 1 757 1 1 52 LEU HB3 H 3.431 -7.649 -1.354 1.00 . A A . 52 LEU HB3 1 1 1 758 1 1 52 LEU HD11 H 5.133 -4.758 -2.944 1.00 . A A . 52 LEU HD11 1 1 1 759 1 1 52 LEU HD12 H 5.015 -6.518 -2.963 1.00 . A A . 52 LEU HD12 1 1 1 760 1 1 52 LEU HD13 H 5.720 -5.697 -1.571 1.00 . A A . 52 LEU HD13 1 1 1 761 1 1 52 LEU HD21 H 1.536 -5.549 -2.293 1.00 . A A . 52 LEU HD21 1 1 1 762 1 1 52 LEU HD22 H 2.625 -6.324 -3.443 1.00 . A A . 52 LEU HD22 1 1 1 763 1 1 52 LEU HD23 H 2.591 -4.566 -3.309 1.00 . A A . 52 LEU HD23 1 1 1 764 1 1 52 LEU HG H 3.546 -4.642 -1.119 1.00 . A A . 52 LEU HG 1 1 1 765 1 1 52 LEU N N 1.920 -5.584 0.841 1.00 . A A . 52 LEU N 1 1 1 766 1 1 52 LEU O O 1.266 -9.003 0.291 1.00 . A A . 52 LEU O 1 1 1 767 1 1 53 ARG C C 0.908 -9.628 3.113 1.00 . A A . 53 ARG C 1 1 1 768 1 1 53 ARG CA C 2.359 -9.277 2.796 1.00 . A A . 53 ARG CA 1 1 1 769 1 1 53 ARG CB C 3.139 -9.075 4.097 1.00 . A A . 53 ARG CB 1 1 1 770 1 1 53 ARG CD C 5.000 -10.132 5.406 1.00 . A A . 53 ARG CD 1 1 1 771 1 1 53 ARG CG C 3.681 -10.365 4.688 1.00 . A A . 53 ARG CG 1 1 1 772 1 1 53 ARG CZ C 5.530 -8.700 7.349 1.00 . A A . 53 ARG CZ 1 1 1 773 1 1 53 ARG H H 2.917 -7.296 2.295 1.00 . A A . 53 ARG H 1 1 1 774 1 1 53 ARG HA H 2.802 -10.094 2.246 1.00 . A A . 53 ARG HA 1 1 1 775 1 1 53 ARG HB2 H 3.972 -8.417 3.907 1.00 . A A . 53 ARG HB2 1 1 1 776 1 1 53 ARG HB3 H 2.488 -8.616 4.826 1.00 . A A . 53 ARG HB3 1 1 1 777 1 1 53 ARG HD2 H 5.549 -11.062 5.436 1.00 . A A . 53 ARG HD2 1 1 1 778 1 1 53 ARG HD3 H 5.566 -9.397 4.855 1.00 . A A . 53 ARG HD3 1 1 1 779 1 1 53 ARG HE H 4.077 -10.067 7.293 1.00 . A A . 53 ARG HE 1 1 1 780 1 1 53 ARG HG2 H 2.962 -10.757 5.392 1.00 . A A . 53 ARG HG2 1 1 1 781 1 1 53 ARG HG3 H 3.836 -11.077 3.890 1.00 . A A . 53 ARG HG3 1 1 1 782 1 1 53 ARG HH11 H 6.735 -8.394 5.753 1.00 . A A . 53 ARG HH11 1 1 1 783 1 1 53 ARG HH12 H 7.065 -7.402 7.132 1.00 . A A . 53 ARG HH12 1 1 1 784 1 1 53 ARG HH21 H 4.521 -8.764 9.098 1.00 . A A . 53 ARG HH21 1 1 1 785 1 1 53 ARG HH22 H 5.813 -7.612 9.028 1.00 . A A . 53 ARG HH22 1 1 1 786 1 1 53 ARG N N 2.438 -8.084 1.963 1.00 . A A . 53 ARG N 1 1 1 787 1 1 53 ARG NE N 4.800 -9.655 6.774 1.00 . A A . 53 ARG NE 1 1 1 788 1 1 53 ARG NH1 N 6.525 -8.119 6.689 1.00 . A A . 53 ARG NH1 1 1 1 789 1 1 53 ARG NH2 N 5.267 -8.328 8.594 1.00 . A A . 53 ARG NH2 1 1 1 790 1 1 53 ARG O O 0.466 -10.753 2.881 1.00 . A A . 53 ARG O 1 1 1 791 1 1 54 THR C C -2.140 -8.778 2.793 1.00 . A A . 54 THR C 1 1 1 792 1 1 54 THR CA C -1.222 -8.862 4.010 1.00 . A A . 54 THR CA 1 1 1 793 1 1 54 THR CB C -1.654 -7.828 5.050 1.00 . A A . 54 THR CB 1 1 1 794 1 1 54 THR CG2 C -3.015 -8.113 5.648 1.00 . A A . 54 THR CG2 1 1 1 795 1 1 54 THR H H 0.589 -7.785 3.815 1.00 . A A . 54 THR H 1 1 1 796 1 1 54 THR HA H -1.312 -9.847 4.444 1.00 . A A . 54 THR HA 1 1 1 797 1 1 54 THR HB H -1.696 -6.854 4.581 1.00 . A A . 54 THR HB 1 1 1 798 1 1 54 THR HG1 H -1.018 -7.133 6.768 1.00 . A A . 54 THR HG1 1 1 1 799 1 1 54 THR HG21 H -2.917 -8.262 6.713 1.00 . A A . 54 THR HG21 1 1 1 800 1 1 54 THR HG22 H -3.427 -9.004 5.196 1.00 . A A . 54 THR HG22 1 1 1 801 1 1 54 THR HG23 H -3.672 -7.277 5.460 1.00 . A A . 54 THR HG23 1 1 1 802 1 1 54 THR N N 0.176 -8.658 3.650 1.00 . A A . 54 THR N 1 1 1 803 1 1 54 THR O O -2.915 -9.696 2.523 1.00 . A A . 54 THR O 1 1 1 804 1 1 54 THR OG1 O -0.720 -7.769 6.115 1.00 . A A . 54 THR OG1 1 1 1 805 1 1 55 CYS C C -2.427 -8.221 -0.303 1.00 . A A . 55 CYS C 1 1 1 806 1 1 55 CYS CA C -2.918 -7.445 0.914 1.00 . A A . 55 CYS CA 1 1 1 807 1 1 55 CYS CB C -3.001 -5.955 0.586 1.00 . A A . 55 CYS CB 1 1 1 808 1 1 55 CYS H H -1.457 -6.947 2.361 1.00 . A A . 55 CYS H 1 1 1 809 1 1 55 CYS HA H -3.903 -7.797 1.165 1.00 . A A . 55 CYS HA 1 1 1 810 1 1 55 CYS HB2 H -2.006 -5.574 0.398 1.00 . A A . 55 CYS HB2 1 1 1 811 1 1 55 CYS HB3 H -3.604 -5.822 -0.299 1.00 . A A . 55 CYS HB3 1 1 1 812 1 1 55 CYS N N -2.073 -7.657 2.082 1.00 . A A . 55 CYS N 1 1 1 813 1 1 55 CYS O O -3.226 -8.790 -1.045 1.00 . A A . 55 CYS O 1 1 1 814 1 1 55 CYS SG S -3.740 -4.958 1.915 1.00 . A A . 55 CYS SG 1 1 1 815 1 1 56 GLY C C -0.369 -10.428 -1.360 1.00 . A A . 56 GLY C 1 1 1 816 1 1 56 GLY CA C -0.558 -8.950 -1.648 1.00 . A A . 56 GLY CA 1 1 1 817 1 1 56 GLY H H -0.519 -7.766 0.109 1.00 . A A . 56 GLY H 1 1 1 818 1 1 56 GLY HA2 H -1.224 -8.840 -2.492 1.00 . A A . 56 GLY HA2 1 1 1 819 1 1 56 GLY HA3 H 0.401 -8.515 -1.899 1.00 . A A . 56 GLY HA3 1 1 1 820 1 1 56 GLY N N -1.116 -8.238 -0.511 1.00 . A A . 56 GLY N 1 1 1 821 1 1 56 GLY O O -1.084 -11.001 -0.538 1.00 . A A . 56 GLY O 1 1 1 822 1 1 57 GLY C C 1.118 -13.198 -3.121 1.00 . A A . 57 GLY C 1 1 1 823 1 1 57 GLY CA C 0.860 -12.460 -1.823 1.00 . A A . 57 GLY CA 1 1 1 824 1 1 57 GLY H H 1.141 -10.537 -2.669 1.00 . A A . 57 GLY H 1 1 1 825 1 1 57 GLY HA2 H 1.725 -12.566 -1.185 1.00 . A A . 57 GLY HA2 1 1 1 826 1 1 57 GLY HA3 H 0.008 -12.909 -1.331 1.00 . A A . 57 GLY HA3 1 1 1 827 1 1 57 GLY N N 0.599 -11.045 -2.030 1.00 . A A . 57 GLY N 1 1 1 828 1 1 57 GLY O O 2.141 -13.864 -3.272 1.00 . A A . 57 GLY O 1 1 1 829 1 1 58 ALA C C 1.304 -13.013 -6.246 1.00 . A A . 58 ALA C 1 1 1 830 1 1 58 ALA CA C 0.309 -13.743 -5.350 1.00 . A A . 58 ALA CA 1 1 1 831 1 1 58 ALA CB C -1.049 -13.835 -6.030 1.00 . A A . 58 ALA CB 1 1 1 832 1 1 58 ALA H H -0.612 -12.537 -3.876 1.00 . A A . 58 ALA H 1 1 1 833 1 1 58 ALA HA H 0.667 -14.747 -5.176 1.00 . A A . 58 ALA HA 1 1 1 834 1 1 58 ALA HB1 H -1.828 -13.764 -5.287 1.00 . A A . 58 ALA HB1 1 1 1 835 1 1 58 ALA HB2 H -1.130 -14.780 -6.547 1.00 . A A . 58 ALA HB2 1 1 1 836 1 1 58 ALA HB3 H -1.152 -13.027 -6.740 1.00 . A A . 58 ALA HB3 1 1 1 837 1 1 58 ALA N N 0.183 -13.081 -4.058 1.00 . A A . 58 ALA N 1 1 1 838 1 1 58 ALA O O 1.757 -11.918 -5.855 1.00 . A A . 58 ALA O 1 1 1 839 1 1 58 ALA OXT O 1.622 -13.544 -7.331 1.00 . A A . 58 ALA OXT 1 1 2 840 1 1 1 ARG C C -8.205 -11.184 1.056 1.00 . A A . 1 ARG C 1 1 2 841 1 1 1 ARG CA C -7.369 -11.957 0.037 1.00 . A A . 1 ARG CA 1 1 2 842 1 1 1 ARG CB C -7.965 -11.803 -1.361 1.00 . A A . 1 ARG CB 1 1 2 843 1 1 1 ARG CD C -8.755 -10.252 -3.182 1.00 . A A . 1 ARG CD 1 1 2 844 1 1 1 ARG CG C -8.115 -10.357 -1.805 1.00 . A A . 1 ARG CG 1 1 2 845 1 1 1 ARG CZ C -8.797 -12.484 -4.235 1.00 . A A . 1 ARG CZ 1 1 2 846 1 1 1 ARG H1 H -7.150 -13.488 1.395 1.00 . A A . 1 ARG H1 1 1 2 847 1 1 1 ARG H2 H -6.540 -13.829 -0.173 1.00 . A A . 1 ARG H2 1 1 2 848 1 1 1 ARG H3 H -8.234 -13.823 0.111 1.00 . A A . 1 ARG H3 1 1 2 849 1 1 1 ARG HA H -6.364 -11.570 0.037 1.00 . A A . 1 ARG HA 1 1 2 850 1 1 1 ARG HB2 H -7.320 -12.307 -2.066 1.00 . A A . 1 ARG HB2 1 1 2 851 1 1 1 ARG HB3 H -8.938 -12.268 -1.379 1.00 . A A . 1 ARG HB3 1 1 2 852 1 1 1 ARG HD2 H -9.823 -10.364 -3.079 1.00 . A A . 1 ARG HD2 1 1 2 853 1 1 1 ARG HD3 H -8.536 -9.277 -3.591 1.00 . A A . 1 ARG HD3 1 1 2 854 1 1 1 ARG HE H -7.476 -11.046 -4.650 1.00 . A A . 1 ARG HE 1 1 2 855 1 1 1 ARG HG2 H -8.736 -9.835 -1.093 1.00 . A A . 1 ARG HG2 1 1 2 856 1 1 1 ARG HG3 H -7.137 -9.897 -1.837 1.00 . A A . 1 ARG HG3 1 1 2 857 1 1 1 ARG HH11 H -10.251 -12.190 -2.860 1.00 . A A . 1 ARG HH11 1 1 2 858 1 1 1 ARG HH12 H -10.252 -13.745 -3.619 1.00 . A A . 1 ARG HH12 1 1 2 859 1 1 1 ARG HH21 H -7.481 -13.091 -5.644 1.00 . A A . 1 ARG HH21 1 1 2 860 1 1 1 ARG HH22 H -8.681 -14.257 -5.197 1.00 . A A . 1 ARG HH22 1 1 2 861 1 1 1 ARG N N -7.320 -13.405 0.372 1.00 . A A . 1 ARG N 1 1 2 862 1 1 1 ARG NE N -8.256 -11.274 -4.102 1.00 . A A . 1 ARG NE 1 1 2 863 1 1 1 ARG NH1 N -9.854 -12.834 -3.512 1.00 . A A . 1 ARG NH1 1 1 2 864 1 1 1 ARG NH2 N -8.277 -13.349 -5.096 1.00 . A A . 1 ARG NH2 1 1 2 865 1 1 1 ARG O O -9.427 -11.327 1.102 1.00 . A A . 1 ARG O 1 1 2 866 1 1 2 PRO C C -9.223 -8.559 2.279 1.00 . A A . 2 PRO C 1 1 2 867 1 1 2 PRO CA C -8.259 -9.566 2.909 1.00 . A A . 2 PRO CA 1 1 2 868 1 1 2 PRO CB C -7.139 -8.852 3.678 1.00 . A A . 2 PRO CB 1 1 2 869 1 1 2 PRO CD C -6.103 -10.126 1.918 1.00 . A A . 2 PRO CD 1 1 2 870 1 1 2 PRO CG C -5.860 -9.498 3.253 1.00 . A A . 2 PRO CG 1 1 2 871 1 1 2 PRO HA H -8.810 -10.205 3.584 1.00 . A A . 2 PRO HA 1 1 2 872 1 1 2 PRO HB2 H -7.148 -7.803 3.429 1.00 . A A . 2 PRO HB2 1 1 2 873 1 1 2 PRO HB3 H -7.303 -8.977 4.741 1.00 . A A . 2 PRO HB3 1 1 2 874 1 1 2 PRO HD2 H -5.805 -9.454 1.140 1.00 . A A . 2 PRO HD2 1 1 2 875 1 1 2 PRO HD3 H -5.566 -11.060 1.839 1.00 . A A . 2 PRO HD3 1 1 2 876 1 1 2 PRO HG2 H -5.082 -8.752 3.174 1.00 . A A . 2 PRO HG2 1 1 2 877 1 1 2 PRO HG3 H -5.579 -10.250 3.961 1.00 . A A . 2 PRO HG3 1 1 2 878 1 1 2 PRO N N -7.556 -10.354 1.895 1.00 . A A . 2 PRO N 1 1 2 879 1 1 2 PRO O O -8.868 -7.839 1.347 1.00 . A A . 2 PRO O 1 1 2 880 1 1 3 ASP C C -11.056 -6.200 2.155 1.00 . A A . 3 ASP C 1 1 2 881 1 1 3 ASP CA C -11.501 -7.660 2.258 1.00 . A A . 3 ASP CA 1 1 2 882 1 1 3 ASP CB C -12.749 -7.752 3.137 1.00 . A A . 3 ASP CB 1 1 2 883 1 1 3 ASP CG C -13.296 -9.164 3.219 1.00 . A A . 3 ASP CG 1 1 2 884 1 1 3 ASP H H -10.678 -9.163 3.504 1.00 . A A . 3 ASP H 1 1 2 885 1 1 3 ASP HA H -11.755 -8.005 1.266 1.00 . A A . 3 ASP HA 1 1 2 886 1 1 3 ASP HB2 H -12.503 -7.424 4.136 1.00 . A A . 3 ASP HB2 1 1 2 887 1 1 3 ASP HB3 H -13.517 -7.110 2.730 1.00 . A A . 3 ASP HB3 1 1 2 888 1 1 3 ASP N N -10.456 -8.544 2.777 1.00 . A A . 3 ASP N 1 1 2 889 1 1 3 ASP O O -11.231 -5.572 1.114 1.00 . A A . 3 ASP O 1 1 2 890 1 1 3 ASP OD1 O -12.554 -10.063 3.666 1.00 . A A . 3 ASP OD1 1 1 2 891 1 1 3 ASP OD2 O -14.467 -9.370 2.835 1.00 . A A . 3 ASP OD2 1 1 2 892 1 1 4 PHE C C -9.188 -3.910 2.061 1.00 . A A . 4 PHE C 1 1 2 893 1 1 4 PHE CA C -10.097 -4.245 3.246 1.00 . A A . 4 PHE CA 1 1 2 894 1 1 4 PHE CB C -9.388 -3.884 4.553 1.00 . A A . 4 PHE CB 1 1 2 895 1 1 4 PHE CD1 C -8.915 -5.957 5.881 1.00 . A A . 4 PHE CD1 1 1 2 896 1 1 4 PHE CD2 C -7.110 -4.908 4.733 1.00 . A A . 4 PHE CD2 1 1 2 897 1 1 4 PHE CE1 C -8.055 -6.925 6.355 1.00 . A A . 4 PHE CE1 1 1 2 898 1 1 4 PHE CE2 C -6.245 -5.873 5.206 1.00 . A A . 4 PHE CE2 1 1 2 899 1 1 4 PHE CG C -8.453 -4.941 5.064 1.00 . A A . 4 PHE CG 1 1 2 900 1 1 4 PHE CZ C -6.718 -6.883 6.017 1.00 . A A . 4 PHE CZ 1 1 2 901 1 1 4 PHE H H -10.425 -6.184 4.052 1.00 . A A . 4 PHE H 1 1 2 902 1 1 4 PHE HA H -10.992 -3.645 3.168 1.00 . A A . 4 PHE HA 1 1 2 903 1 1 4 PHE HB2 H -8.806 -2.989 4.392 1.00 . A A . 4 PHE HB2 1 1 2 904 1 1 4 PHE HB3 H -10.132 -3.697 5.317 1.00 . A A . 4 PHE HB3 1 1 2 905 1 1 4 PHE HD1 H -9.962 -5.990 6.145 1.00 . A A . 4 PHE HD1 1 1 2 906 1 1 4 PHE HD2 H -6.739 -4.119 4.097 1.00 . A A . 4 PHE HD2 1 1 2 907 1 1 4 PHE HE1 H -8.428 -7.716 6.989 1.00 . A A . 4 PHE HE1 1 1 2 908 1 1 4 PHE HE2 H -5.199 -5.839 4.941 1.00 . A A . 4 PHE HE2 1 1 2 909 1 1 4 PHE HZ H -6.043 -7.639 6.388 1.00 . A A . 4 PHE HZ 1 1 2 910 1 1 4 PHE N N -10.518 -5.649 3.239 1.00 . A A . 4 PHE N 1 1 2 911 1 1 4 PHE O O -9.111 -2.759 1.638 1.00 . A A . 4 PHE O 1 1 2 912 1 1 5 CYS C C -8.406 -4.165 -0.813 1.00 . A A . 5 CYS C 1 1 2 913 1 1 5 CYS CA C -7.635 -4.722 0.375 1.00 . A A . 5 CYS CA 1 1 2 914 1 1 5 CYS CB C -6.970 -6.036 -0.012 1.00 . A A . 5 CYS CB 1 1 2 915 1 1 5 CYS H H -8.636 -5.816 1.879 1.00 . A A . 5 CYS H 1 1 2 916 1 1 5 CYS HA H -6.870 -4.017 0.660 1.00 . A A . 5 CYS HA 1 1 2 917 1 1 5 CYS HB2 H -7.730 -6.738 -0.319 1.00 . A A . 5 CYS HB2 1 1 2 918 1 1 5 CYS HB3 H -6.298 -5.857 -0.834 1.00 . A A . 5 CYS HB3 1 1 2 919 1 1 5 CYS N N -8.521 -4.919 1.518 1.00 . A A . 5 CYS N 1 1 2 920 1 1 5 CYS O O -7.827 -3.592 -1.735 1.00 . A A . 5 CYS O 1 1 2 921 1 1 5 CYS SG S -6.012 -6.805 1.330 1.00 . A A . 5 CYS SG 1 1 2 922 1 1 6 LEU C C -10.925 -2.382 -1.669 1.00 . A A . 6 LEU C 1 1 2 923 1 1 6 LEU CA C -10.582 -3.861 -1.853 1.00 . A A . 6 LEU CA 1 1 2 924 1 1 6 LEU CB C -11.872 -4.685 -1.904 1.00 . A A . 6 LEU CB 1 1 2 925 1 1 6 LEU CD1 C -13.037 -6.880 -1.564 1.00 . A A . 6 LEU CD1 1 1 2 926 1 1 6 LEU CD2 C -10.988 -6.762 -2.993 1.00 . A A . 6 LEU CD2 1 1 2 927 1 1 6 LEU CG C -11.692 -6.200 -1.768 1.00 . A A . 6 LEU CG 1 1 2 928 1 1 6 LEU H H -10.115 -4.806 -0.016 1.00 . A A . 6 LEU H 1 1 2 929 1 1 6 LEU HA H -10.050 -3.983 -2.788 1.00 . A A . 6 LEU HA 1 1 2 930 1 1 6 LEU HB2 H -12.518 -4.348 -1.106 1.00 . A A . 6 LEU HB2 1 1 2 931 1 1 6 LEU HB3 H -12.361 -4.488 -2.846 1.00 . A A . 6 LEU HB3 1 1 2 932 1 1 6 LEU HD11 H -12.951 -7.622 -0.783 1.00 . A A . 6 LEU HD11 1 1 2 933 1 1 6 LEU HD12 H -13.342 -7.361 -2.483 1.00 . A A . 6 LEU HD12 1 1 2 934 1 1 6 LEU HD13 H -13.776 -6.145 -1.281 1.00 . A A . 6 LEU HD13 1 1 2 935 1 1 6 LEU HD21 H -10.471 -7.672 -2.727 1.00 . A A . 6 LEU HD21 1 1 2 936 1 1 6 LEU HD22 H -10.275 -6.039 -3.364 1.00 . A A . 6 LEU HD22 1 1 2 937 1 1 6 LEU HD23 H -11.717 -6.974 -3.761 1.00 . A A . 6 LEU HD23 1 1 2 938 1 1 6 LEU HG H -11.079 -6.410 -0.902 1.00 . A A . 6 LEU HG 1 1 2 939 1 1 6 LEU N N -9.718 -4.340 -0.781 1.00 . A A . 6 LEU N 1 1 2 940 1 1 6 LEU O O -11.468 -1.748 -2.573 1.00 . A A . 6 LEU O 1 1 2 941 1 1 7 GLU C C -9.956 0.489 -0.988 1.00 . A A . 7 GLU C 1 1 2 942 1 1 7 GLU CA C -10.894 -0.431 -0.208 1.00 . A A . 7 GLU CA 1 1 2 943 1 1 7 GLU CB C -10.760 -0.141 1.289 1.00 . A A . 7 GLU CB 1 1 2 944 1 1 7 GLU CD C -11.693 -0.556 3.599 1.00 . A A . 7 GLU CD 1 1 2 945 1 1 7 GLU CG C -11.595 -1.054 2.169 1.00 . A A . 7 GLU CG 1 1 2 946 1 1 7 GLU H H -10.183 -2.388 0.193 1.00 . A A . 7 GLU H 1 1 2 947 1 1 7 GLU HA H -11.906 -0.233 -0.514 1.00 . A A . 7 GLU HA 1 1 2 948 1 1 7 GLU HB2 H -9.723 -0.248 1.575 1.00 . A A . 7 GLU HB2 1 1 2 949 1 1 7 GLU HB3 H -11.068 0.878 1.472 1.00 . A A . 7 GLU HB3 1 1 2 950 1 1 7 GLU HG2 H -12.592 -1.116 1.758 1.00 . A A . 7 GLU HG2 1 1 2 951 1 1 7 GLU HG3 H -11.148 -2.036 2.174 1.00 . A A . 7 GLU HG3 1 1 2 952 1 1 7 GLU N N -10.611 -1.836 -0.494 1.00 . A A . 7 GLU N 1 1 2 953 1 1 7 GLU O O -8.738 0.432 -0.817 1.00 . A A . 7 GLU O 1 1 2 954 1 1 7 GLU OE1 O -10.825 0.244 4.011 1.00 . A A . 7 GLU OE1 1 1 2 955 1 1 7 GLU OE2 O -12.634 -0.968 4.309 1.00 . A A . 7 GLU OE2 1 1 2 956 1 1 8 PRO C C -9.476 3.610 -1.901 1.00 . A A . 8 PRO C 1 1 2 957 1 1 8 PRO CA C -9.721 2.297 -2.641 1.00 . A A . 8 PRO CA 1 1 2 958 1 1 8 PRO CB C -10.609 2.525 -3.859 1.00 . A A . 8 PRO CB 1 1 2 959 1 1 8 PRO CD C -11.953 1.515 -2.120 1.00 . A A . 8 PRO CD 1 1 2 960 1 1 8 PRO CG C -12.004 2.421 -3.332 1.00 . A A . 8 PRO CG 1 1 2 961 1 1 8 PRO HA H -8.779 1.870 -2.945 1.00 . A A . 8 PRO HA 1 1 2 962 1 1 8 PRO HB2 H -10.413 3.502 -4.273 1.00 . A A . 8 PRO HB2 1 1 2 963 1 1 8 PRO HB3 H -10.412 1.765 -4.599 1.00 . A A . 8 PRO HB3 1 1 2 964 1 1 8 PRO HD2 H -12.452 1.982 -1.282 1.00 . A A . 8 PRO HD2 1 1 2 965 1 1 8 PRO HD3 H -12.407 0.562 -2.346 1.00 . A A . 8 PRO HD3 1 1 2 966 1 1 8 PRO HG2 H -12.361 3.401 -3.049 1.00 . A A . 8 PRO HG2 1 1 2 967 1 1 8 PRO HG3 H -12.647 1.994 -4.088 1.00 . A A . 8 PRO HG3 1 1 2 968 1 1 8 PRO N N -10.511 1.362 -1.849 1.00 . A A . 8 PRO N 1 1 2 969 1 1 8 PRO O O -10.283 4.016 -1.064 1.00 . A A . 8 PRO O 1 1 2 970 1 1 9 PRO C C -8.869 6.719 -2.075 1.00 . A A . 9 PRO C 1 1 2 971 1 1 9 PRO CA C -8.025 5.566 -1.549 1.00 . A A . 9 PRO CA 1 1 2 972 1 1 9 PRO CB C -6.555 5.769 -1.913 1.00 . A A . 9 PRO CB 1 1 2 973 1 1 9 PRO CD C -7.330 3.892 -3.181 1.00 . A A . 9 PRO CD 1 1 2 974 1 1 9 PRO CG C -6.394 5.071 -3.219 1.00 . A A . 9 PRO CG 1 1 2 975 1 1 9 PRO HA H -8.131 5.504 -0.477 1.00 . A A . 9 PRO HA 1 1 2 976 1 1 9 PRO HB2 H -6.343 6.825 -2.000 1.00 . A A . 9 PRO HB2 1 1 2 977 1 1 9 PRO HB3 H -5.930 5.331 -1.151 1.00 . A A . 9 PRO HB3 1 1 2 978 1 1 9 PRO HD2 H -7.770 3.732 -4.157 1.00 . A A . 9 PRO HD2 1 1 2 979 1 1 9 PRO HD3 H -6.802 3.008 -2.849 1.00 . A A . 9 PRO HD3 1 1 2 980 1 1 9 PRO HG2 H -6.662 5.738 -4.025 1.00 . A A . 9 PRO HG2 1 1 2 981 1 1 9 PRO HG3 H -5.376 4.736 -3.332 1.00 . A A . 9 PRO HG3 1 1 2 982 1 1 9 PRO N N -8.357 4.295 -2.195 1.00 . A A . 9 PRO N 1 1 2 983 1 1 9 PRO O O -9.809 6.513 -2.843 1.00 . A A . 9 PRO O 1 1 2 984 1 1 10 TYR C C -8.336 10.346 -2.075 1.00 . A A . 10 TYR C 1 1 2 985 1 1 10 TYR CA C -9.244 9.120 -2.091 1.00 . A A . 10 TYR CA 1 1 2 986 1 1 10 TYR CB C -10.456 9.345 -1.190 1.00 . A A . 10 TYR CB 1 1 2 987 1 1 10 TYR CD1 C -9.284 8.974 1.022 1.00 . A A . 10 TYR CD1 1 1 2 988 1 1 10 TYR CD2 C -10.642 10.920 0.778 1.00 . A A . 10 TYR CD2 1 1 2 989 1 1 10 TYR CE1 C -8.986 9.340 2.322 1.00 . A A . 10 TYR CE1 1 1 2 990 1 1 10 TYR CE2 C -10.346 11.294 2.077 1.00 . A A . 10 TYR CE2 1 1 2 991 1 1 10 TYR CG C -10.117 9.756 0.229 1.00 . A A . 10 TYR CG 1 1 2 992 1 1 10 TYR CZ C -9.520 10.500 2.844 1.00 . A A . 10 TYR CZ 1 1 2 993 1 1 10 TYR H H -7.769 8.031 -1.052 1.00 . A A . 10 TYR H 1 1 2 994 1 1 10 TYR HA H -9.583 8.954 -3.105 1.00 . A A . 10 TYR HA 1 1 2 995 1 1 10 TYR HB2 H -11.076 10.117 -1.618 1.00 . A A . 10 TYR HB2 1 1 2 996 1 1 10 TYR HB3 H -11.018 8.426 -1.140 1.00 . A A . 10 TYR HB3 1 1 2 997 1 1 10 TYR HD1 H -8.868 8.066 0.612 1.00 . A A . 10 TYR HD1 1 1 2 998 1 1 10 TYR HD2 H -11.289 11.539 0.175 1.00 . A A . 10 TYR HD2 1 1 2 999 1 1 10 TYR HE1 H -8.337 8.719 2.922 1.00 . A A . 10 TYR HE1 1 1 2 1000 1 1 10 TYR HE2 H -10.765 12.201 2.485 1.00 . A A . 10 TYR HE2 1 1 2 1001 1 1 10 TYR HH H -8.941 11.784 4.152 1.00 . A A . 10 TYR HH 1 1 2 1002 1 1 10 TYR N N -8.524 7.932 -1.662 1.00 . A A . 10 TYR N 1 1 2 1003 1 1 10 TYR O O -7.327 10.375 -1.371 1.00 . A A . 10 TYR O 1 1 2 1004 1 1 10 TYR OH O -9.225 10.868 4.137 1.00 . A A . 10 TYR OH 1 1 2 1005 1 1 11 ALA C C -8.583 13.703 -2.176 1.00 . A A . 11 ALA C 1 1 2 1006 1 1 11 ALA CA C -7.914 12.573 -2.947 1.00 . A A . 11 ALA CA 1 1 2 1007 1 1 11 ALA CB C -7.702 12.971 -4.400 1.00 . A A . 11 ALA CB 1 1 2 1008 1 1 11 ALA H H -9.508 11.264 -3.410 1.00 . A A . 11 ALA H 1 1 2 1009 1 1 11 ALA HA H -6.951 12.374 -2.507 1.00 . A A . 11 ALA HA 1 1 2 1010 1 1 11 ALA HB1 H -7.808 12.099 -5.031 1.00 . A A . 11 ALA HB1 1 1 2 1011 1 1 11 ALA HB2 H -6.711 13.384 -4.519 1.00 . A A . 11 ALA HB2 1 1 2 1012 1 1 11 ALA HB3 H -8.438 13.710 -4.682 1.00 . A A . 11 ALA HB3 1 1 2 1013 1 1 11 ALA N N -8.697 11.351 -2.865 1.00 . A A . 11 ALA N 1 1 2 1014 1 1 11 ALA O O -9.170 14.611 -2.765 1.00 . A A . 11 ALA O 1 1 2 1015 1 1 12 GLY C C -8.157 15.828 0.232 1.00 . A A . 12 GLY C 1 1 2 1016 1 1 12 GLY CA C -9.090 14.665 -0.019 1.00 . A A . 12 GLY CA 1 1 2 1017 1 1 12 GLY H H -8.010 12.892 -0.439 1.00 . A A . 12 GLY H 1 1 2 1018 1 1 12 GLY HA2 H -9.981 15.033 -0.506 1.00 . A A . 12 GLY HA2 1 1 2 1019 1 1 12 GLY HA3 H -9.365 14.231 0.930 1.00 . A A . 12 GLY HA3 1 1 2 1020 1 1 12 GLY N N -8.490 13.641 -0.852 1.00 . A A . 12 GLY N 1 1 2 1021 1 1 12 GLY O O -7.154 15.993 -0.462 1.00 . A A . 12 GLY O 1 1 2 1022 1 1 13 ALA C C -6.499 17.417 2.418 1.00 . A A . 13 ALA C 1 1 2 1023 1 1 13 ALA CA C -7.707 17.797 1.568 1.00 . A A . 13 ALA CA 1 1 2 1024 1 1 13 ALA CB C -8.564 18.827 2.288 1.00 . A A . 13 ALA CB 1 1 2 1025 1 1 13 ALA H H -9.299 16.467 1.719 1.00 . A A . 13 ALA H 1 1 2 1026 1 1 13 ALA HA H -7.375 18.223 0.653 1.00 . A A . 13 ALA HA 1 1 2 1027 1 1 13 ALA HB1 H -7.933 19.618 2.668 1.00 . A A . 13 ALA HB1 1 1 2 1028 1 1 13 ALA HB2 H -9.082 18.355 3.109 1.00 . A A . 13 ALA HB2 1 1 2 1029 1 1 13 ALA HB3 H -9.284 19.242 1.597 1.00 . A A . 13 ALA HB3 1 1 2 1030 1 1 13 ALA N N -8.496 16.641 1.222 1.00 . A A . 13 ALA N 1 1 2 1031 1 1 13 ALA O O -6.503 17.607 3.635 1.00 . A A . 13 ALA O 1 1 2 1032 1 1 14 CYS C C -3.073 16.418 1.488 1.00 . A A . 14 CYS C 1 1 2 1033 1 1 14 CYS CA C -4.243 16.475 2.464 1.00 . A A . 14 CYS CA 1 1 2 1034 1 1 14 CYS CB C -4.409 15.104 3.131 1.00 . A A . 14 CYS CB 1 1 2 1035 1 1 14 CYS H H -5.526 16.758 0.800 1.00 . A A . 14 CYS H 1 1 2 1036 1 1 14 CYS HA H -4.030 17.213 3.223 1.00 . A A . 14 CYS HA 1 1 2 1037 1 1 14 CYS HB2 H -4.231 14.335 2.396 1.00 . A A . 14 CYS HB2 1 1 2 1038 1 1 14 CYS HB3 H -3.676 15.015 3.919 1.00 . A A . 14 CYS HB3 1 1 2 1039 1 1 14 CYS N N -5.466 16.882 1.771 1.00 . A A . 14 CYS N 1 1 2 1040 1 1 14 CYS O O -3.070 15.622 0.549 1.00 . A A . 14 CYS O 1 1 2 1041 1 1 14 CYS SG S -6.054 14.794 3.862 1.00 . A A . 14 CYS SG 1 1 2 1042 1 1 15 ARG C C 0.175 16.336 1.279 1.00 . A A . 15 ARG C 1 1 2 1043 1 1 15 ARG CA C -0.899 17.335 0.856 1.00 . A A . 15 ARG CA 1 1 2 1044 1 1 15 ARG CB C -0.317 18.750 0.860 1.00 . A A . 15 ARG CB 1 1 2 1045 1 1 15 ARG CD C -0.740 21.224 0.742 1.00 . A A . 15 ARG CD 1 1 2 1046 1 1 15 ARG CG C -1.360 19.838 0.658 1.00 . A A . 15 ARG CG 1 1 2 1047 1 1 15 ARG CZ C -0.855 22.128 -1.548 1.00 . A A . 15 ARG CZ 1 1 2 1048 1 1 15 ARG H H -2.147 17.877 2.484 1.00 . A A . 15 ARG H 1 1 2 1049 1 1 15 ARG HA H -1.214 17.092 -0.146 1.00 . A A . 15 ARG HA 1 1 2 1050 1 1 15 ARG HB2 H 0.174 18.924 1.806 1.00 . A A . 15 ARG HB2 1 1 2 1051 1 1 15 ARG HB3 H 0.411 18.829 0.066 1.00 . A A . 15 ARG HB3 1 1 2 1052 1 1 15 ARG HD2 H -1.508 21.931 1.020 1.00 . A A . 15 ARG HD2 1 1 2 1053 1 1 15 ARG HD3 H 0.030 21.214 1.498 1.00 . A A . 15 ARG HD3 1 1 2 1054 1 1 15 ARG HE H 0.820 21.549 -0.629 1.00 . A A . 15 ARG HE 1 1 2 1055 1 1 15 ARG HG2 H -1.813 19.715 -0.314 1.00 . A A . 15 ARG HG2 1 1 2 1056 1 1 15 ARG HG3 H -2.116 19.745 1.424 1.00 . A A . 15 ARG HG3 1 1 2 1057 1 1 15 ARG HH11 H -2.642 21.997 -0.610 1.00 . A A . 15 ARG HH11 1 1 2 1058 1 1 15 ARG HH12 H -2.694 22.631 -2.220 1.00 . A A . 15 ARG HH12 1 1 2 1059 1 1 15 ARG HH21 H 0.752 22.384 -2.747 1.00 . A A . 15 ARG HH21 1 1 2 1060 1 1 15 ARG HH22 H -0.769 22.851 -3.433 1.00 . A A . 15 ARG HH22 1 1 2 1061 1 1 15 ARG N N -2.081 17.272 1.718 1.00 . A A . 15 ARG N 1 1 2 1062 1 1 15 ARG NE N -0.152 21.639 -0.529 1.00 . A A . 15 ARG NE 1 1 2 1063 1 1 15 ARG NH1 N -2.172 22.264 -1.451 1.00 . A A . 15 ARG NH1 1 1 2 1064 1 1 15 ARG NH2 N -0.240 22.483 -2.668 1.00 . A A . 15 ARG NH2 1 1 2 1065 1 1 15 ARG O O 1.353 16.516 0.970 1.00 . A A . 15 ARG O 1 1 2 1066 1 1 16 ALA C C 1.115 13.351 1.273 1.00 . A A . 16 ALA C 1 1 2 1067 1 1 16 ALA CA C 0.707 14.263 2.425 1.00 . A A . 16 ALA CA 1 1 2 1068 1 1 16 ALA CB C 0.099 13.449 3.557 1.00 . A A . 16 ALA CB 1 1 2 1069 1 1 16 ALA H H -1.180 15.188 2.186 1.00 . A A . 16 ALA H 1 1 2 1070 1 1 16 ALA HA H 1.587 14.763 2.805 1.00 . A A . 16 ALA HA 1 1 2 1071 1 1 16 ALA HB1 H -0.616 14.056 4.093 1.00 . A A . 16 ALA HB1 1 1 2 1072 1 1 16 ALA HB2 H 0.880 13.133 4.233 1.00 . A A . 16 ALA HB2 1 1 2 1073 1 1 16 ALA HB3 H -0.398 12.581 3.150 1.00 . A A . 16 ALA HB3 1 1 2 1074 1 1 16 ALA N N -0.231 15.284 1.975 1.00 . A A . 16 ALA N 1 1 2 1075 1 1 16 ALA O O 0.292 12.999 0.427 1.00 . A A . 16 ALA O 1 1 2 1076 1 1 17 ALA C C 4.181 11.405 0.648 1.00 . A A . 17 ALA C 1 1 2 1077 1 1 17 ALA CA C 2.889 12.080 0.216 1.00 . A A . 17 ALA CA 1 1 2 1078 1 1 17 ALA CB C 3.075 12.834 -1.092 1.00 . A A . 17 ALA CB 1 1 2 1079 1 1 17 ALA H H 2.987 13.251 1.947 1.00 . A A . 17 ALA H 1 1 2 1080 1 1 17 ALA HA H 2.152 11.323 0.074 1.00 . A A . 17 ALA HA 1 1 2 1081 1 1 17 ALA HB1 H 4.124 12.855 -1.351 1.00 . A A . 17 ALA HB1 1 1 2 1082 1 1 17 ALA HB2 H 2.714 13.846 -0.979 1.00 . A A . 17 ALA HB2 1 1 2 1083 1 1 17 ALA HB3 H 2.520 12.340 -1.876 1.00 . A A . 17 ALA HB3 1 1 2 1084 1 1 17 ALA N N 2.384 12.958 1.250 1.00 . A A . 17 ALA N 1 1 2 1085 1 1 17 ALA O O 5.119 11.258 -0.136 1.00 . A A . 17 ALA O 1 1 2 1086 1 1 18 ALA C C 5.073 9.865 3.897 1.00 . A A . 18 ALA C 1 1 2 1087 1 1 18 ALA CA C 5.366 10.317 2.472 1.00 . A A . 18 ALA CA 1 1 2 1088 1 1 18 ALA CB C 6.580 11.234 2.440 1.00 . A A . 18 ALA CB 1 1 2 1089 1 1 18 ALA H H 3.416 11.134 2.460 1.00 . A A . 18 ALA H 1 1 2 1090 1 1 18 ALA HA H 5.580 9.450 1.864 1.00 . A A . 18 ALA HA 1 1 2 1091 1 1 18 ALA HB1 H 7.256 10.909 1.662 1.00 . A A . 18 ALA HB1 1 1 2 1092 1 1 18 ALA HB2 H 7.085 11.199 3.394 1.00 . A A . 18 ALA HB2 1 1 2 1093 1 1 18 ALA HB3 H 6.261 12.246 2.239 1.00 . A A . 18 ALA HB3 1 1 2 1094 1 1 18 ALA N N 4.207 10.991 1.903 1.00 . A A . 18 ALA N 1 1 2 1095 1 1 18 ALA O O 5.461 10.532 4.857 1.00 . A A . 18 ALA O 1 1 2 1096 1 1 19 ALA C C 3.613 6.769 5.325 1.00 . A A . 19 ALA C 1 1 2 1097 1 1 19 ALA CA C 4.038 8.234 5.360 1.00 . A A . 19 ALA CA 1 1 2 1098 1 1 19 ALA CB C 2.939 9.086 5.976 1.00 . A A . 19 ALA CB 1 1 2 1099 1 1 19 ALA H H 4.084 8.250 3.241 1.00 . A A . 19 ALA H 1 1 2 1100 1 1 19 ALA HA H 4.915 8.325 5.982 1.00 . A A . 19 ALA HA 1 1 2 1101 1 1 19 ALA HB1 H 2.294 8.462 6.578 1.00 . A A . 19 ALA HB1 1 1 2 1102 1 1 19 ALA HB2 H 2.362 9.550 5.192 1.00 . A A . 19 ALA HB2 1 1 2 1103 1 1 19 ALA HB3 H 3.383 9.849 6.598 1.00 . A A . 19 ALA HB3 1 1 2 1104 1 1 19 ALA N N 4.379 8.740 4.037 1.00 . A A . 19 ALA N 1 1 2 1105 1 1 19 ALA O O 4.172 5.941 6.045 1.00 . A A . 19 ALA O 1 1 2 1106 1 1 20 ARG C C 1.792 4.685 2.971 1.00 . A A . 20 ARG C 1 1 2 1107 1 1 20 ARG CA C 2.116 5.079 4.411 1.00 . A A . 20 ARG CA 1 1 2 1108 1 1 20 ARG CB C 0.872 4.913 5.288 1.00 . A A . 20 ARG CB 1 1 2 1109 1 1 20 ARG CD C 0.871 4.034 7.649 1.00 . A A . 20 ARG CD 1 1 2 1110 1 1 20 ARG CG C 1.115 5.237 6.756 1.00 . A A . 20 ARG CG 1 1 2 1111 1 1 20 ARG CZ C -0.920 4.708 9.201 1.00 . A A . 20 ARG CZ 1 1 2 1112 1 1 20 ARG H H 2.194 7.152 3.962 1.00 . A A . 20 ARG H 1 1 2 1113 1 1 20 ARG HA H 2.887 4.422 4.779 1.00 . A A . 20 ARG HA 1 1 2 1114 1 1 20 ARG HB2 H 0.096 5.573 4.922 1.00 . A A . 20 ARG HB2 1 1 2 1115 1 1 20 ARG HB3 H 0.530 3.889 5.218 1.00 . A A . 20 ARG HB3 1 1 2 1116 1 1 20 ARG HD2 H 1.059 3.138 7.079 1.00 . A A . 20 ARG HD2 1 1 2 1117 1 1 20 ARG HD3 H 1.556 4.076 8.484 1.00 . A A . 20 ARG HD3 1 1 2 1118 1 1 20 ARG HE H -1.133 3.406 7.704 1.00 . A A . 20 ARG HE 1 1 2 1119 1 1 20 ARG HG2 H 2.138 5.555 6.878 1.00 . A A . 20 ARG HG2 1 1 2 1120 1 1 20 ARG HG3 H 0.451 6.036 7.053 1.00 . A A . 20 ARG HG3 1 1 2 1121 1 1 20 ARG HH11 H 0.863 5.598 9.545 1.00 . A A . 20 ARG HH11 1 1 2 1122 1 1 20 ARG HH12 H -0.412 6.053 10.624 1.00 . A A . 20 ARG HH12 1 1 2 1123 1 1 20 ARG HH21 H -2.814 4.003 9.123 1.00 . A A . 20 ARG HH21 1 1 2 1124 1 1 20 ARG HH22 H -2.499 5.147 10.385 1.00 . A A . 20 ARG HH22 1 1 2 1125 1 1 20 ARG N N 2.613 6.451 4.504 1.00 . A A . 20 ARG N 1 1 2 1126 1 1 20 ARG NE N -0.497 3.995 8.159 1.00 . A A . 20 ARG NE 1 1 2 1127 1 1 20 ARG NH1 N -0.087 5.519 9.843 1.00 . A A . 20 ARG NH1 1 1 2 1128 1 1 20 ARG NH2 N -2.181 4.612 9.602 1.00 . A A . 20 ARG NH2 1 1 2 1129 1 1 20 ARG O O 2.012 5.453 2.034 1.00 . A A . 20 ARG O 1 1 2 1130 1 1 21 TYR C C -0.497 2.368 1.505 1.00 . A A . 21 TYR C 1 1 2 1131 1 1 21 TYR CA C 0.916 2.944 1.496 1.00 . A A . 21 TYR CA 1 1 2 1132 1 1 21 TYR CB C 1.898 1.850 1.072 1.00 . A A . 21 TYR CB 1 1 2 1133 1 1 21 TYR CD1 C 4.018 2.549 2.254 1.00 . A A . 21 TYR CD1 1 1 2 1134 1 1 21 TYR CD2 C 4.045 2.412 -0.124 1.00 . A A . 21 TYR CD2 1 1 2 1135 1 1 21 TYR CE1 C 5.347 2.931 2.251 1.00 . A A . 21 TYR CE1 1 1 2 1136 1 1 21 TYR CE2 C 5.372 2.794 -0.137 1.00 . A A . 21 TYR CE2 1 1 2 1137 1 1 21 TYR CG C 3.346 2.284 1.068 1.00 . A A . 21 TYR CG 1 1 2 1138 1 1 21 TYR CZ C 6.019 3.053 1.053 1.00 . A A . 21 TYR CZ 1 1 2 1139 1 1 21 TYR H H 1.137 2.910 3.604 1.00 . A A . 21 TYR H 1 1 2 1140 1 1 21 TYR HA H 0.960 3.752 0.780 1.00 . A A . 21 TYR HA 1 1 2 1141 1 1 21 TYR HB2 H 1.809 1.015 1.751 1.00 . A A . 21 TYR HB2 1 1 2 1142 1 1 21 TYR HB3 H 1.648 1.522 0.074 1.00 . A A . 21 TYR HB3 1 1 2 1143 1 1 21 TYR HD1 H 3.488 2.454 3.191 1.00 . A A . 21 TYR HD1 1 1 2 1144 1 1 21 TYR HD2 H 3.536 2.210 -1.055 1.00 . A A . 21 TYR HD2 1 1 2 1145 1 1 21 TYR HE1 H 5.852 3.133 3.184 1.00 . A A . 21 TYR HE1 1 1 2 1146 1 1 21 TYR HE2 H 5.898 2.890 -1.075 1.00 . A A . 21 TYR HE2 1 1 2 1147 1 1 21 TYR HH H 7.534 3.914 0.237 1.00 . A A . 21 TYR HH 1 1 2 1148 1 1 21 TYR N N 1.276 3.471 2.812 1.00 . A A . 21 TYR N 1 1 2 1149 1 1 21 TYR O O -1.144 2.297 2.550 1.00 . A A . 21 TYR O 1 1 2 1150 1 1 21 TYR OH O 7.342 3.432 1.046 1.00 . A A . 21 TYR OH 1 1 2 1151 1 1 22 PHE C C -2.277 0.292 -0.891 1.00 . A A . 22 PHE C 1 1 2 1152 1 1 22 PHE CA C -2.288 1.351 0.192 1.00 . A A . 22 PHE CA 1 1 2 1153 1 1 22 PHE CB C -3.333 2.402 -0.155 1.00 . A A . 22 PHE CB 1 1 2 1154 1 1 22 PHE CD1 C -2.069 4.303 -1.196 1.00 . A A . 22 PHE CD1 1 1 2 1155 1 1 22 PHE CD2 C -3.473 2.976 -2.590 1.00 . A A . 22 PHE CD2 1 1 2 1156 1 1 22 PHE CE1 C -1.709 5.070 -2.286 1.00 . A A . 22 PHE CE1 1 1 2 1157 1 1 22 PHE CE2 C -3.119 3.742 -3.683 1.00 . A A . 22 PHE CE2 1 1 2 1158 1 1 22 PHE CG C -2.954 3.249 -1.336 1.00 . A A . 22 PHE CG 1 1 2 1159 1 1 22 PHE CZ C -2.236 4.790 -3.531 1.00 . A A . 22 PHE CZ 1 1 2 1160 1 1 22 PHE H H -0.386 2.024 -0.460 1.00 . A A . 22 PHE H 1 1 2 1161 1 1 22 PHE HA H -2.554 0.886 1.131 1.00 . A A . 22 PHE HA 1 1 2 1162 1 1 22 PHE HB2 H -4.260 1.905 -0.388 1.00 . A A . 22 PHE HB2 1 1 2 1163 1 1 22 PHE HB3 H -3.480 3.040 0.692 1.00 . A A . 22 PHE HB3 1 1 2 1164 1 1 22 PHE HD1 H -1.657 4.524 -0.222 1.00 . A A . 22 PHE HD1 1 1 2 1165 1 1 22 PHE HD2 H -4.165 2.155 -2.711 1.00 . A A . 22 PHE HD2 1 1 2 1166 1 1 22 PHE HE1 H -1.017 5.890 -2.164 1.00 . A A . 22 PHE HE1 1 1 2 1167 1 1 22 PHE HE2 H -3.533 3.521 -4.656 1.00 . A A . 22 PHE HE2 1 1 2 1168 1 1 22 PHE HZ H -1.955 5.389 -4.383 1.00 . A A . 22 PHE HZ 1 1 2 1169 1 1 22 PHE N N -0.960 1.946 0.333 1.00 . A A . 22 PHE N 1 1 2 1170 1 1 22 PHE O O -1.515 0.380 -1.850 1.00 . A A . 22 PHE O 1 1 2 1171 1 1 23 TYR C C -4.151 -1.400 -2.864 1.00 . A A . 23 TYR C 1 1 2 1172 1 1 23 TYR CA C -3.213 -1.779 -1.727 1.00 . A A . 23 TYR CA 1 1 2 1173 1 1 23 TYR CB C -3.674 -3.085 -1.086 1.00 . A A . 23 TYR CB 1 1 2 1174 1 1 23 TYR CD1 C -2.558 -4.833 -2.524 1.00 . A A . 23 TYR CD1 1 1 2 1175 1 1 23 TYR CD2 C -4.938 -4.734 -2.521 1.00 . A A . 23 TYR CD2 1 1 2 1176 1 1 23 TYR CE1 C -2.599 -5.885 -3.419 1.00 . A A . 23 TYR CE1 1 1 2 1177 1 1 23 TYR CE2 C -4.988 -5.786 -3.416 1.00 . A A . 23 TYR CE2 1 1 2 1178 1 1 23 TYR CG C -3.726 -4.241 -2.059 1.00 . A A . 23 TYR CG 1 1 2 1179 1 1 23 TYR CZ C -3.816 -6.358 -3.862 1.00 . A A . 23 TYR CZ 1 1 2 1180 1 1 23 TYR H H -3.723 -0.707 0.040 1.00 . A A . 23 TYR H 1 1 2 1181 1 1 23 TYR HA H -2.216 -1.931 -2.134 1.00 . A A . 23 TYR HA 1 1 2 1182 1 1 23 TYR HB2 H -2.982 -3.351 -0.302 1.00 . A A . 23 TYR HB2 1 1 2 1183 1 1 23 TYR HB3 H -4.664 -2.950 -0.668 1.00 . A A . 23 TYR HB3 1 1 2 1184 1 1 23 TYR HD1 H -1.606 -4.461 -2.175 1.00 . A A . 23 TYR HD1 1 1 2 1185 1 1 23 TYR HD2 H -5.853 -4.285 -2.170 1.00 . A A . 23 TYR HD2 1 1 2 1186 1 1 23 TYR HE1 H -1.680 -6.333 -3.767 1.00 . A A . 23 TYR HE1 1 1 2 1187 1 1 23 TYR HE2 H -5.942 -6.155 -3.764 1.00 . A A . 23 TYR HE2 1 1 2 1188 1 1 23 TYR HH H -4.574 -8.001 -4.510 1.00 . A A . 23 TYR HH 1 1 2 1189 1 1 23 TYR N N -3.131 -0.703 -0.742 1.00 . A A . 23 TYR N 1 1 2 1190 1 1 23 TYR O O -5.256 -0.909 -2.637 1.00 . A A . 23 TYR O 1 1 2 1191 1 1 23 TYR OH O -3.861 -7.406 -4.753 1.00 . A A . 23 TYR OH 1 1 2 1192 1 1 24 ASN C C -5.077 -2.615 -5.867 1.00 . A A . 24 ASN C 1 1 2 1193 1 1 24 ASN CA C -4.492 -1.340 -5.269 1.00 . A A . 24 ASN CA 1 1 2 1194 1 1 24 ASN CB C -3.624 -0.615 -6.302 1.00 . A A . 24 ASN CB 1 1 2 1195 1 1 24 ASN CG C -4.390 -0.243 -7.551 1.00 . A A . 24 ASN CG 1 1 2 1196 1 1 24 ASN H H -2.817 -2.052 -4.186 1.00 . A A . 24 ASN H 1 1 2 1197 1 1 24 ASN HA H -5.303 -0.689 -4.974 1.00 . A A . 24 ASN HA 1 1 2 1198 1 1 24 ASN HB2 H -3.232 0.292 -5.861 1.00 . A A . 24 ASN HB2 1 1 2 1199 1 1 24 ASN HB3 H -2.803 -1.255 -6.591 1.00 . A A . 24 ASN HB3 1 1 2 1200 1 1 24 ASN HD21 H -3.344 1.439 -7.706 1.00 . A A . 24 ASN HD21 1 1 2 1201 1 1 24 ASN HD22 H -4.530 1.163 -8.938 1.00 . A A . 24 ASN HD22 1 1 2 1202 1 1 24 ASN N N -3.703 -1.646 -4.082 1.00 . A A . 24 ASN N 1 1 2 1203 1 1 24 ASN ND2 N -4.056 0.904 -8.121 1.00 . A A . 24 ASN ND2 1 1 2 1204 1 1 24 ASN O O -4.439 -3.273 -6.683 1.00 . A A . 24 ASN O 1 1 2 1205 1 1 24 ASN OD1 O -5.267 -0.979 -8.000 1.00 . A A . 24 ASN OD1 1 1 2 1206 1 1 25 ALA C C -7.004 -4.176 -7.481 1.00 . A A . 25 ALA C 1 1 2 1207 1 1 25 ALA CA C -6.959 -4.159 -5.954 1.00 . A A . 25 ALA CA 1 1 2 1208 1 1 25 ALA CB C -8.367 -4.258 -5.382 1.00 . A A . 25 ALA CB 1 1 2 1209 1 1 25 ALA H H -6.756 -2.392 -4.803 1.00 . A A . 25 ALA H 1 1 2 1210 1 1 25 ALA HA H -6.397 -5.016 -5.610 1.00 . A A . 25 ALA HA 1 1 2 1211 1 1 25 ALA HB1 H -8.348 -4.024 -4.325 1.00 . A A . 25 ALA HB1 1 1 2 1212 1 1 25 ALA HB2 H -8.744 -5.261 -5.521 1.00 . A A . 25 ALA HB2 1 1 2 1213 1 1 25 ALA HB3 H -9.013 -3.558 -5.893 1.00 . A A . 25 ALA HB3 1 1 2 1214 1 1 25 ALA N N -6.295 -2.959 -5.457 1.00 . A A . 25 ALA N 1 1 2 1215 1 1 25 ALA O O -7.026 -5.240 -8.100 1.00 . A A . 25 ALA O 1 1 2 1216 1 1 26 LYS C C -5.663 -3.018 -10.162 1.00 . A A . 26 LYS C 1 1 2 1217 1 1 26 LYS CA C -7.052 -2.861 -9.534 1.00 . A A . 26 LYS CA 1 1 2 1218 1 1 26 LYS CB C -7.646 -1.502 -9.921 1.00 . A A . 26 LYS CB 1 1 2 1219 1 1 26 LYS CD C -8.491 -0.763 -12.174 1.00 . A A . 26 LYS CD 1 1 2 1220 1 1 26 LYS CE C -8.955 0.675 -12.000 1.00 . A A . 26 LYS CE 1 1 2 1221 1 1 26 LYS CG C -8.777 -1.596 -10.934 1.00 . A A . 26 LYS CG 1 1 2 1222 1 1 26 LYS H H -6.988 -2.179 -7.531 1.00 . A A . 26 LYS H 1 1 2 1223 1 1 26 LYS HA H -7.695 -3.640 -9.916 1.00 . A A . 26 LYS HA 1 1 2 1224 1 1 26 LYS HB2 H -8.028 -1.024 -9.032 1.00 . A A . 26 LYS HB2 1 1 2 1225 1 1 26 LYS HB3 H -6.864 -0.886 -10.342 1.00 . A A . 26 LYS HB3 1 1 2 1226 1 1 26 LYS HD2 H -7.428 -0.766 -12.361 1.00 . A A . 26 LYS HD2 1 1 2 1227 1 1 26 LYS HD3 H -9.009 -1.199 -13.017 1.00 . A A . 26 LYS HD3 1 1 2 1228 1 1 26 LYS HE2 H -8.602 1.041 -11.048 1.00 . A A . 26 LYS HE2 1 1 2 1229 1 1 26 LYS HE3 H -8.533 1.273 -12.794 1.00 . A A . 26 LYS HE3 1 1 2 1230 1 1 26 LYS HG2 H -8.900 -2.628 -11.227 1.00 . A A . 26 LYS HG2 1 1 2 1231 1 1 26 LYS HG3 H -9.687 -1.240 -10.474 1.00 . A A . 26 LYS HG3 1 1 2 1232 1 1 26 LYS HZ1 H -10.839 0.046 -12.649 1.00 . A A . 26 LYS HZ1 1 1 2 1233 1 1 26 LYS HZ2 H -10.715 1.717 -12.421 1.00 . A A . 26 LYS HZ2 1 1 2 1234 1 1 26 LYS HZ3 H -10.832 0.689 -11.084 1.00 . A A . 26 LYS HZ3 1 1 2 1235 1 1 26 LYS N N -7.011 -2.989 -8.080 1.00 . A A . 26 LYS N 1 1 2 1236 1 1 26 LYS NZ N -10.439 0.790 -12.042 1.00 . A A . 26 LYS NZ 1 1 2 1237 1 1 26 LYS O O -5.522 -2.947 -11.383 1.00 . A A . 26 LYS O 1 1 2 1238 1 1 27 ALA C C -2.490 -4.460 -9.106 1.00 . A A . 27 ALA C 1 1 2 1239 1 1 27 ALA CA C -3.274 -3.368 -9.843 1.00 . A A . 27 ALA CA 1 1 2 1240 1 1 27 ALA CB C -2.535 -2.042 -9.752 1.00 . A A . 27 ALA CB 1 1 2 1241 1 1 27 ALA H H -4.799 -3.251 -8.368 1.00 . A A . 27 ALA H 1 1 2 1242 1 1 27 ALA HA H -3.341 -3.638 -10.886 1.00 . A A . 27 ALA HA 1 1 2 1243 1 1 27 ALA HB1 H -2.605 -1.658 -8.746 1.00 . A A . 27 ALA HB1 1 1 2 1244 1 1 27 ALA HB2 H -2.979 -1.336 -10.439 1.00 . A A . 27 ALA HB2 1 1 2 1245 1 1 27 ALA HB3 H -1.496 -2.191 -10.010 1.00 . A A . 27 ALA HB3 1 1 2 1246 1 1 27 ALA N N -4.639 -3.218 -9.333 1.00 . A A . 27 ALA N 1 1 2 1247 1 1 27 ALA O O -1.349 -4.753 -9.461 1.00 . A A . 27 ALA O 1 1 2 1248 1 1 28 GLY C C -1.260 -5.672 -6.520 1.00 . A A . 28 GLY C 1 1 2 1249 1 1 28 GLY CA C -2.453 -6.125 -7.351 1.00 . A A . 28 GLY CA 1 1 2 1250 1 1 28 GLY H H -4.008 -4.817 -7.859 1.00 . A A . 28 GLY H 1 1 2 1251 1 1 28 GLY HA2 H -3.176 -6.581 -6.694 1.00 . A A . 28 GLY HA2 1 1 2 1252 1 1 28 GLY HA3 H -2.123 -6.855 -8.056 1.00 . A A . 28 GLY HA3 1 1 2 1253 1 1 28 GLY N N -3.103 -5.069 -8.093 1.00 . A A . 28 GLY N 1 1 2 1254 1 1 28 GLY O O -0.676 -6.471 -5.790 1.00 . A A . 28 GLY O 1 1 2 1255 1 1 29 LEU C C -0.158 -2.666 -5.038 1.00 . A A . 29 LEU C 1 1 2 1256 1 1 29 LEU CA C 0.244 -3.874 -5.880 1.00 . A A . 29 LEU CA 1 1 2 1257 1 1 29 LEU CB C 1.371 -3.485 -6.839 1.00 . A A . 29 LEU CB 1 1 2 1258 1 1 29 LEU CD1 C 2.166 -5.317 -8.355 1.00 . A A . 29 LEU CD1 1 1 2 1259 1 1 29 LEU CD2 C 3.825 -3.943 -7.083 1.00 . A A . 29 LEU CD2 1 1 2 1260 1 1 29 LEU CG C 2.435 -4.562 -7.062 1.00 . A A . 29 LEU CG 1 1 2 1261 1 1 29 LEU H H -1.389 -3.813 -7.226 1.00 . A A . 29 LEU H 1 1 2 1262 1 1 29 LEU HA H 0.598 -4.654 -5.223 1.00 . A A . 29 LEU HA 1 1 2 1263 1 1 29 LEU HB2 H 0.932 -3.237 -7.794 1.00 . A A . 29 LEU HB2 1 1 2 1264 1 1 29 LEU HB3 H 1.859 -2.604 -6.449 1.00 . A A . 29 LEU HB3 1 1 2 1265 1 1 29 LEU HD11 H 1.220 -5.830 -8.283 1.00 . A A . 29 LEU HD11 1 1 2 1266 1 1 29 LEU HD12 H 2.954 -6.036 -8.521 1.00 . A A . 29 LEU HD12 1 1 2 1267 1 1 29 LEU HD13 H 2.136 -4.619 -9.179 1.00 . A A . 29 LEU HD13 1 1 2 1268 1 1 29 LEU HD21 H 4.122 -3.691 -6.076 1.00 . A A . 29 LEU HD21 1 1 2 1269 1 1 29 LEU HD22 H 3.812 -3.051 -7.690 1.00 . A A . 29 LEU HD22 1 1 2 1270 1 1 29 LEU HD23 H 4.527 -4.651 -7.499 1.00 . A A . 29 LEU HD23 1 1 2 1271 1 1 29 LEU HG H 2.395 -5.271 -6.248 1.00 . A A . 29 LEU HG 1 1 2 1272 1 1 29 LEU N N -0.893 -4.404 -6.630 1.00 . A A . 29 LEU N 1 1 2 1273 1 1 29 LEU O O -1.255 -2.129 -5.187 1.00 . A A . 29 LEU O 1 1 2 1274 1 1 30 CYS C C 1.189 0.150 -3.830 1.00 . A A . 30 CYS C 1 1 2 1275 1 1 30 CYS CA C 0.483 -1.089 -3.303 1.00 . A A . 30 CYS CA 1 1 2 1276 1 1 30 CYS CB C 0.925 -1.341 -1.861 1.00 . A A . 30 CYS CB 1 1 2 1277 1 1 30 CYS H H 1.605 -2.705 -4.086 1.00 . A A . 30 CYS H 1 1 2 1278 1 1 30 CYS HA H -0.579 -0.910 -3.316 1.00 . A A . 30 CYS HA 1 1 2 1279 1 1 30 CYS HB2 H 1.936 -0.982 -1.740 1.00 . A A . 30 CYS HB2 1 1 2 1280 1 1 30 CYS HB3 H 0.276 -0.787 -1.203 1.00 . A A . 30 CYS HB3 1 1 2 1281 1 1 30 CYS N N 0.744 -2.240 -4.157 1.00 . A A . 30 CYS N 1 1 2 1282 1 1 30 CYS O O 2.073 0.063 -4.684 1.00 . A A . 30 CYS O 1 1 2 1283 1 1 30 CYS SG S 0.881 -3.088 -1.339 1.00 . A A . 30 CYS SG 1 1 2 1284 1 1 31 GLN C C 1.359 3.567 -2.561 1.00 . A A . 31 GLN C 1 1 2 1285 1 1 31 GLN CA C 1.380 2.568 -3.711 1.00 . A A . 31 GLN CA 1 1 2 1286 1 1 31 GLN CB C 0.630 3.144 -4.916 1.00 . A A . 31 GLN CB 1 1 2 1287 1 1 31 GLN CD C 0.391 1.567 -6.878 1.00 . A A . 31 GLN CD 1 1 2 1288 1 1 31 GLN CG C 1.189 2.700 -6.258 1.00 . A A . 31 GLN CG 1 1 2 1289 1 1 31 GLN H H 0.097 1.292 -2.618 1.00 . A A . 31 GLN H 1 1 2 1290 1 1 31 GLN HA H 2.403 2.381 -3.993 1.00 . A A . 31 GLN HA 1 1 2 1291 1 1 31 GLN HB2 H -0.403 2.835 -4.864 1.00 . A A . 31 GLN HB2 1 1 2 1292 1 1 31 GLN HB3 H 0.676 4.222 -4.871 1.00 . A A . 31 GLN HB3 1 1 2 1293 1 1 31 GLN HE21 H -1.303 2.570 -6.599 1.00 . A A . 31 GLN HE21 1 1 2 1294 1 1 31 GLN HE22 H -1.462 1.018 -7.340 1.00 . A A . 31 GLN HE22 1 1 2 1295 1 1 31 GLN HG2 H 1.173 3.540 -6.935 1.00 . A A . 31 GLN HG2 1 1 2 1296 1 1 31 GLN HG3 H 2.208 2.371 -6.119 1.00 . A A . 31 GLN HG3 1 1 2 1297 1 1 31 GLN N N 0.794 1.299 -3.306 1.00 . A A . 31 GLN N 1 1 2 1298 1 1 31 GLN NE2 N -0.924 1.736 -6.946 1.00 . A A . 31 GLN NE2 1 1 2 1299 1 1 31 GLN O O 0.480 3.517 -1.699 1.00 . A A . 31 GLN O 1 1 2 1300 1 1 31 GLN OE1 O 0.953 0.553 -7.295 1.00 . A A . 31 GLN OE1 1 1 2 1301 1 1 32 THR C C 1.362 6.606 -1.816 1.00 . A A . 32 THR C 1 1 2 1302 1 1 32 THR CA C 2.385 5.510 -1.532 1.00 . A A . 32 THR CA 1 1 2 1303 1 1 32 THR CB C 3.806 6.089 -1.439 1.00 . A A . 32 THR CB 1 1 2 1304 1 1 32 THR CG2 C 3.925 7.528 -1.908 1.00 . A A . 32 THR CG2 1 1 2 1305 1 1 32 THR H H 2.984 4.483 -3.281 1.00 . A A . 32 THR H 1 1 2 1306 1 1 32 THR HA H 2.130 5.048 -0.593 1.00 . A A . 32 THR HA 1 1 2 1307 1 1 32 THR HB H 4.465 5.489 -2.052 1.00 . A A . 32 THR HB 1 1 2 1308 1 1 32 THR HG1 H 3.702 6.556 0.459 1.00 . A A . 32 THR HG1 1 1 2 1309 1 1 32 THR HG21 H 3.431 7.638 -2.861 1.00 . A A . 32 THR HG21 1 1 2 1310 1 1 32 THR HG22 H 4.968 7.788 -2.009 1.00 . A A . 32 THR HG22 1 1 2 1311 1 1 32 THR HG23 H 3.460 8.182 -1.184 1.00 . A A . 32 THR HG23 1 1 2 1312 1 1 32 THR N N 2.318 4.485 -2.561 1.00 . A A . 32 THR N 1 1 2 1313 1 1 32 THR O O 1.201 7.035 -2.958 1.00 . A A . 32 THR O 1 1 2 1314 1 1 32 THR OG1 O 4.278 6.036 -0.106 1.00 . A A . 32 THR OG1 1 1 2 1315 1 1 33 PHE C C 0.189 9.261 -1.769 1.00 . A A . 33 PHE C 1 1 2 1316 1 1 33 PHE CA C -0.329 8.110 -0.909 1.00 . A A . 33 PHE CA 1 1 2 1317 1 1 33 PHE CB C -0.741 8.628 0.469 1.00 . A A . 33 PHE CB 1 1 2 1318 1 1 33 PHE CD1 C -0.909 6.673 2.030 1.00 . A A . 33 PHE CD1 1 1 2 1319 1 1 33 PHE CD2 C -2.926 7.640 1.205 1.00 . A A . 33 PHE CD2 1 1 2 1320 1 1 33 PHE CE1 C -1.641 5.745 2.744 1.00 . A A . 33 PHE CE1 1 1 2 1321 1 1 33 PHE CE2 C -3.664 6.715 1.919 1.00 . A A . 33 PHE CE2 1 1 2 1322 1 1 33 PHE CG C -1.542 7.630 1.254 1.00 . A A . 33 PHE CG 1 1 2 1323 1 1 33 PHE CZ C -3.020 5.766 2.689 1.00 . A A . 33 PHE CZ 1 1 2 1324 1 1 33 PHE H H 0.859 6.685 0.116 1.00 . A A . 33 PHE H 1 1 2 1325 1 1 33 PHE HA H -1.197 7.672 -1.390 1.00 . A A . 33 PHE HA 1 1 2 1326 1 1 33 PHE HB2 H 0.145 8.868 1.039 1.00 . A A . 33 PHE HB2 1 1 2 1327 1 1 33 PHE HB3 H -1.340 9.519 0.350 1.00 . A A . 33 PHE HB3 1 1 2 1328 1 1 33 PHE HD1 H 0.169 6.658 2.076 1.00 . A A . 33 PHE HD1 1 1 2 1329 1 1 33 PHE HD2 H -3.430 8.382 0.602 1.00 . A A . 33 PHE HD2 1 1 2 1330 1 1 33 PHE HE1 H -1.136 5.003 3.345 1.00 . A A . 33 PHE HE1 1 1 2 1331 1 1 33 PHE HE2 H -4.741 6.731 1.874 1.00 . A A . 33 PHE HE2 1 1 2 1332 1 1 33 PHE HZ H -3.595 5.042 3.246 1.00 . A A . 33 PHE HZ 1 1 2 1333 1 1 33 PHE N N 0.680 7.062 -0.770 1.00 . A A . 33 PHE N 1 1 2 1334 1 1 33 PHE O O 1.022 10.050 -1.328 1.00 . A A . 33 PHE O 1 1 2 1335 1 1 34 ALA C C -0.512 11.738 -3.523 1.00 . A A . 34 ALA C 1 1 2 1336 1 1 34 ALA CA C 0.108 10.402 -3.915 1.00 . A A . 34 ALA CA 1 1 2 1337 1 1 34 ALA CB C -0.267 10.039 -5.343 1.00 . A A . 34 ALA CB 1 1 2 1338 1 1 34 ALA H H -0.966 8.687 -3.298 1.00 . A A . 34 ALA H 1 1 2 1339 1 1 34 ALA HA H 1.184 10.487 -3.859 1.00 . A A . 34 ALA HA 1 1 2 1340 1 1 34 ALA HB1 H -0.015 10.856 -6.002 1.00 . A A . 34 ALA HB1 1 1 2 1341 1 1 34 ALA HB2 H -1.329 9.846 -5.399 1.00 . A A . 34 ALA HB2 1 1 2 1342 1 1 34 ALA HB3 H 0.275 9.153 -5.643 1.00 . A A . 34 ALA HB3 1 1 2 1343 1 1 34 ALA N N -0.307 9.348 -3.000 1.00 . A A . 34 ALA N 1 1 2 1344 1 1 34 ALA O O -1.205 11.836 -2.511 1.00 . A A . 34 ALA O 1 1 2 1345 1 1 35 TYR C C -2.267 14.043 -3.646 1.00 . A A . 35 TYR C 1 1 2 1346 1 1 35 TYR CA C -0.800 14.102 -4.079 1.00 . A A . 35 TYR CA 1 1 2 1347 1 1 35 TYR CB C -0.663 14.973 -5.331 1.00 . A A . 35 TYR CB 1 1 2 1348 1 1 35 TYR CD1 C -0.314 13.499 -7.352 1.00 . A A . 35 TYR CD1 1 1 2 1349 1 1 35 TYR CD2 C -2.466 14.473 -7.029 1.00 . A A . 35 TYR CD2 1 1 2 1350 1 1 35 TYR CE1 C -0.762 12.883 -8.506 1.00 . A A . 35 TYR CE1 1 1 2 1351 1 1 35 TYR CE2 C -2.921 13.860 -8.180 1.00 . A A . 35 TYR CE2 1 1 2 1352 1 1 35 TYR CG C -1.156 14.304 -6.596 1.00 . A A . 35 TYR CG 1 1 2 1353 1 1 35 TYR CZ C -2.065 13.066 -8.914 1.00 . A A . 35 TYR CZ 1 1 2 1354 1 1 35 TYR H H 0.288 12.616 -5.131 1.00 . A A . 35 TYR H 1 1 2 1355 1 1 35 TYR HA H -0.210 14.541 -3.281 1.00 . A A . 35 TYR HA 1 1 2 1356 1 1 35 TYR HB2 H -1.234 15.880 -5.193 1.00 . A A . 35 TYR HB2 1 1 2 1357 1 1 35 TYR HB3 H 0.376 15.228 -5.473 1.00 . A A . 35 TYR HB3 1 1 2 1358 1 1 35 TYR HD1 H 0.706 13.358 -7.030 1.00 . A A . 35 TYR HD1 1 1 2 1359 1 1 35 TYR HD2 H -3.133 15.097 -6.452 1.00 . A A . 35 TYR HD2 1 1 2 1360 1 1 35 TYR HE1 H -0.092 12.261 -9.080 1.00 . A A . 35 TYR HE1 1 1 2 1361 1 1 35 TYR HE2 H -3.942 14.004 -8.501 1.00 . A A . 35 TYR HE2 1 1 2 1362 1 1 35 TYR HH H -3.084 11.715 -9.829 1.00 . A A . 35 TYR HH 1 1 2 1363 1 1 35 TYR N N -0.267 12.763 -4.337 1.00 . A A . 35 TYR N 1 1 2 1364 1 1 35 TYR O O -3.054 13.269 -4.190 1.00 . A A . 35 TYR O 1 1 2 1365 1 1 35 TYR OH O -2.515 12.453 -10.062 1.00 . A A . 35 TYR OH 1 1 2 1366 1 1 36 GLY C C -4.501 13.600 -1.618 1.00 . A A . 36 GLY C 1 1 2 1367 1 1 36 GLY CA C -3.976 14.920 -2.176 1.00 . A A . 36 GLY CA 1 1 2 1368 1 1 36 GLY H H -1.971 15.462 -2.284 1.00 . A A . 36 GLY H 1 1 2 1369 1 1 36 GLY HA2 H -4.033 15.668 -1.399 1.00 . A A . 36 GLY HA2 1 1 2 1370 1 1 36 GLY HA3 H -4.594 15.230 -2.987 1.00 . A A . 36 GLY HA3 1 1 2 1371 1 1 36 GLY N N -2.625 14.869 -2.666 1.00 . A A . 36 GLY N 1 1 2 1372 1 1 36 GLY O O -5.585 13.566 -1.037 1.00 . A A . 36 GLY O 1 1 2 1373 1 1 37 ALA C C -4.069 11.138 0.233 1.00 . A A . 37 ALA C 1 1 2 1374 1 1 37 ALA CA C -4.163 11.207 -1.288 1.00 . A A . 37 ALA CA 1 1 2 1375 1 1 37 ALA CB C -3.320 10.109 -1.917 1.00 . A A . 37 ALA CB 1 1 2 1376 1 1 37 ALA H H -2.895 12.589 -2.256 1.00 . A A . 37 ALA H 1 1 2 1377 1 1 37 ALA HA H -5.191 11.049 -1.582 1.00 . A A . 37 ALA HA 1 1 2 1378 1 1 37 ALA HB1 H -2.317 10.154 -1.519 1.00 . A A . 37 ALA HB1 1 1 2 1379 1 1 37 ALA HB2 H -3.289 10.247 -2.987 1.00 . A A . 37 ALA HB2 1 1 2 1380 1 1 37 ALA HB3 H -3.754 9.147 -1.691 1.00 . A A . 37 ALA HB3 1 1 2 1381 1 1 37 ALA N N -3.748 12.514 -1.790 1.00 . A A . 37 ALA N 1 1 2 1382 1 1 37 ALA O O -2.975 11.027 0.787 1.00 . A A . 37 ALA O 1 1 2 1383 1 1 38 CYS C C -5.296 9.676 2.846 1.00 . A A . 38 CYS C 1 1 2 1384 1 1 38 CYS CA C -5.229 11.123 2.367 1.00 . A A . 38 CYS CA 1 1 2 1385 1 1 38 CYS CB C -6.402 11.919 2.939 1.00 . A A . 38 CYS CB 1 1 2 1386 1 1 38 CYS H H -6.059 11.273 0.421 1.00 . A A . 38 CYS H 1 1 2 1387 1 1 38 CYS HA H -4.307 11.558 2.723 1.00 . A A . 38 CYS HA 1 1 2 1388 1 1 38 CYS HB2 H -6.750 12.626 2.199 1.00 . A A . 38 CYS HB2 1 1 2 1389 1 1 38 CYS HB3 H -7.202 11.239 3.186 1.00 . A A . 38 CYS HB3 1 1 2 1390 1 1 38 CYS N N -5.212 11.192 0.910 1.00 . A A . 38 CYS N 1 1 2 1391 1 1 38 CYS O O -5.477 8.757 2.049 1.00 . A A . 38 CYS O 1 1 2 1392 1 1 38 CYS SG S -5.984 12.853 4.449 1.00 . A A . 38 CYS SG 1 1 2 1393 1 1 39 ALA C C -6.598 7.568 4.733 1.00 . A A . 39 ALA C 1 1 2 1394 1 1 39 ALA CA C -5.190 8.150 4.745 1.00 . A A . 39 ALA CA 1 1 2 1395 1 1 39 ALA CB C -4.646 8.187 6.166 1.00 . A A . 39 ALA CB 1 1 2 1396 1 1 39 ALA H H -5.009 10.261 4.734 1.00 . A A . 39 ALA H 1 1 2 1397 1 1 39 ALA HA H -4.551 7.510 4.161 1.00 . A A . 39 ALA HA 1 1 2 1398 1 1 39 ALA HB1 H -5.192 8.920 6.742 1.00 . A A . 39 ALA HB1 1 1 2 1399 1 1 39 ALA HB2 H -3.600 8.454 6.144 1.00 . A A . 39 ALA HB2 1 1 2 1400 1 1 39 ALA HB3 H -4.761 7.214 6.622 1.00 . A A . 39 ALA HB3 1 1 2 1401 1 1 39 ALA N N -5.149 9.485 4.152 1.00 . A A . 39 ALA N 1 1 2 1402 1 1 39 ALA O O -7.579 8.274 4.969 1.00 . A A . 39 ALA O 1 1 2 1403 1 1 40 ALA C C -8.250 4.876 5.759 1.00 . A A . 40 ALA C 1 1 2 1404 1 1 40 ALA CA C -7.968 5.575 4.432 1.00 . A A . 40 ALA CA 1 1 2 1405 1 1 40 ALA CB C -7.996 4.572 3.288 1.00 . A A . 40 ALA CB 1 1 2 1406 1 1 40 ALA H H -5.866 5.760 4.297 1.00 . A A . 40 ALA H 1 1 2 1407 1 1 40 ALA HA H -8.739 6.311 4.253 1.00 . A A . 40 ALA HA 1 1 2 1408 1 1 40 ALA HB1 H -7.241 4.833 2.561 1.00 . A A . 40 ALA HB1 1 1 2 1409 1 1 40 ALA HB2 H -8.969 4.589 2.819 1.00 . A A . 40 ALA HB2 1 1 2 1410 1 1 40 ALA HB3 H -7.801 3.582 3.673 1.00 . A A . 40 ALA HB3 1 1 2 1411 1 1 40 ALA N N -6.686 6.268 4.467 1.00 . A A . 40 ALA N 1 1 2 1412 1 1 40 ALA O O -7.406 4.860 6.655 1.00 . A A . 40 ALA O 1 1 2 1413 1 1 41 LYS C C -8.952 2.397 7.374 1.00 . A A . 41 LYS C 1 1 2 1414 1 1 41 LYS CA C -9.843 3.608 7.099 1.00 . A A . 41 LYS CA 1 1 2 1415 1 1 41 LYS CB C -11.310 3.173 7.008 1.00 . A A . 41 LYS CB 1 1 2 1416 1 1 41 LYS CD C -13.584 3.172 8.076 1.00 . A A . 41 LYS CD 1 1 2 1417 1 1 41 LYS CE C -14.421 3.680 9.238 1.00 . A A . 41 LYS CE 1 1 2 1418 1 1 41 LYS CG C -12.197 3.794 8.074 1.00 . A A . 41 LYS CG 1 1 2 1419 1 1 41 LYS H H -10.074 4.355 5.131 1.00 . A A . 41 LYS H 1 1 2 1420 1 1 41 LYS HA H -9.739 4.305 7.919 1.00 . A A . 41 LYS HA 1 1 2 1421 1 1 41 LYS HB2 H -11.698 3.453 6.041 1.00 . A A . 41 LYS HB2 1 1 2 1422 1 1 41 LYS HB3 H -11.364 2.098 7.110 1.00 . A A . 41 LYS HB3 1 1 2 1423 1 1 41 LYS HD2 H -14.082 3.424 7.152 1.00 . A A . 41 LYS HD2 1 1 2 1424 1 1 41 LYS HD3 H -13.486 2.100 8.155 1.00 . A A . 41 LYS HD3 1 1 2 1425 1 1 41 LYS HE2 H -14.225 3.064 10.104 1.00 . A A . 41 LYS HE2 1 1 2 1426 1 1 41 LYS HE3 H -14.137 4.700 9.451 1.00 . A A . 41 LYS HE3 1 1 2 1427 1 1 41 LYS HG2 H -11.742 3.639 9.041 1.00 . A A . 41 LYS HG2 1 1 2 1428 1 1 41 LYS HG3 H -12.286 4.854 7.882 1.00 . A A . 41 LYS HG3 1 1 2 1429 1 1 41 LYS HZ1 H -16.071 2.913 8.211 1.00 . A A . 41 LYS HZ1 1 1 2 1430 1 1 41 LYS HZ2 H -16.198 4.560 8.578 1.00 . A A . 41 LYS HZ2 1 1 2 1431 1 1 41 LYS HZ3 H -16.416 3.404 9.794 1.00 . A A . 41 LYS HZ3 1 1 2 1432 1 1 41 LYS N N -9.443 4.304 5.879 1.00 . A A . 41 LYS N 1 1 2 1433 1 1 41 LYS NZ N -15.878 3.636 8.934 1.00 . A A . 41 LYS NZ 1 1 2 1434 1 1 41 LYS O O -8.064 2.449 8.223 1.00 . A A . 41 LYS O 1 1 2 1435 1 1 42 ARG C C -7.238 -0.014 5.941 1.00 . A A . 42 ARG C 1 1 2 1436 1 1 42 ARG CA C -8.460 0.063 6.855 1.00 . A A . 42 ARG CA 1 1 2 1437 1 1 42 ARG CB C -9.365 -1.144 6.602 1.00 . A A . 42 ARG CB 1 1 2 1438 1 1 42 ARG CD C -10.453 -1.469 8.845 1.00 . A A . 42 ARG CD 1 1 2 1439 1 1 42 ARG CG C -10.666 -1.099 7.386 1.00 . A A . 42 ARG CG 1 1 2 1440 1 1 42 ARG CZ C -11.193 -3.813 9.018 1.00 . A A . 42 ARG CZ 1 1 2 1441 1 1 42 ARG H H -9.946 1.311 6.024 1.00 . A A . 42 ARG H 1 1 2 1442 1 1 42 ARG HA H -8.129 0.035 7.879 1.00 . A A . 42 ARG HA 1 1 2 1443 1 1 42 ARG HB2 H -9.604 -1.190 5.549 1.00 . A A . 42 ARG HB2 1 1 2 1444 1 1 42 ARG HB3 H -8.833 -2.042 6.881 1.00 . A A . 42 ARG HB3 1 1 2 1445 1 1 42 ARG HD2 H -9.596 -0.929 9.218 1.00 . A A . 42 ARG HD2 1 1 2 1446 1 1 42 ARG HD3 H -11.330 -1.182 9.407 1.00 . A A . 42 ARG HD3 1 1 2 1447 1 1 42 ARG HE H -9.299 -3.199 9.146 1.00 . A A . 42 ARG HE 1 1 2 1448 1 1 42 ARG HG2 H -11.071 -0.099 7.335 1.00 . A A . 42 ARG HG2 1 1 2 1449 1 1 42 ARG HG3 H -11.365 -1.794 6.945 1.00 . A A . 42 ARG HG3 1 1 2 1450 1 1 42 ARG HH11 H -12.688 -2.483 8.724 1.00 . A A . 42 ARG HH11 1 1 2 1451 1 1 42 ARG HH12 H -13.182 -4.137 8.848 1.00 . A A . 42 ARG HH12 1 1 2 1452 1 1 42 ARG HH21 H -9.947 -5.377 9.311 1.00 . A A . 42 ARG HH21 1 1 2 1453 1 1 42 ARG HH22 H -11.626 -5.781 9.181 1.00 . A A . 42 ARG HH22 1 1 2 1454 1 1 42 ARG N N -9.214 1.298 6.669 1.00 . A A . 42 ARG N 1 1 2 1455 1 1 42 ARG NE N -10.223 -2.901 9.020 1.00 . A A . 42 ARG NE 1 1 2 1456 1 1 42 ARG NH1 N -12.458 -3.447 8.850 1.00 . A A . 42 ARG NH1 1 1 2 1457 1 1 42 ARG NH2 N -10.898 -5.095 9.183 1.00 . A A . 42 ARG NH2 1 1 2 1458 1 1 42 ARG O O -6.221 -0.604 6.305 1.00 . A A . 42 ARG O 1 1 2 1459 1 1 43 ASN C C -5.162 1.444 4.132 1.00 . A A . 43 ASN C 1 1 2 1460 1 1 43 ASN CA C -6.283 0.474 3.765 1.00 . A A . 43 ASN CA 1 1 2 1461 1 1 43 ASN CB C -6.840 0.829 2.389 1.00 . A A . 43 ASN CB 1 1 2 1462 1 1 43 ASN CG C -6.413 -0.169 1.352 1.00 . A A . 43 ASN CG 1 1 2 1463 1 1 43 ASN H H -8.207 0.936 4.474 1.00 . A A . 43 ASN H 1 1 2 1464 1 1 43 ASN HA H -5.894 -0.531 3.746 1.00 . A A . 43 ASN HA 1 1 2 1465 1 1 43 ASN HB2 H -7.919 0.840 2.433 1.00 . A A . 43 ASN HB2 1 1 2 1466 1 1 43 ASN HB3 H -6.483 1.805 2.095 1.00 . A A . 43 ASN HB3 1 1 2 1467 1 1 43 ASN HD21 H -7.518 -1.513 2.298 1.00 . A A . 43 ASN HD21 1 1 2 1468 1 1 43 ASN HD22 H -6.682 -2.080 0.883 1.00 . A A . 43 ASN HD22 1 1 2 1469 1 1 43 ASN N N -7.359 0.532 4.737 1.00 . A A . 43 ASN N 1 1 2 1470 1 1 43 ASN ND2 N -6.918 -1.378 1.523 1.00 . A A . 43 ASN ND2 1 1 2 1471 1 1 43 ASN O O -5.061 2.536 3.573 1.00 . A A . 43 ASN O 1 1 2 1472 1 1 43 ASN OD1 O -5.659 0.130 0.426 1.00 . A A . 43 ASN OD1 1 1 2 1473 1 1 44 ASN C C -2.107 1.049 6.175 1.00 . A A . 44 ASN C 1 1 2 1474 1 1 44 ASN CA C -3.215 1.879 5.525 1.00 . A A . 44 ASN CA 1 1 2 1475 1 1 44 ASN CB C -3.717 2.938 6.509 1.00 . A A . 44 ASN CB 1 1 2 1476 1 1 44 ASN CG C -4.316 2.329 7.762 1.00 . A A . 44 ASN CG 1 1 2 1477 1 1 44 ASN H H -4.457 0.164 5.500 1.00 . A A . 44 ASN H 1 1 2 1478 1 1 44 ASN HA H -2.810 2.375 4.656 1.00 . A A . 44 ASN HA 1 1 2 1479 1 1 44 ASN HB2 H -2.894 3.575 6.799 1.00 . A A . 44 ASN HB2 1 1 2 1480 1 1 44 ASN HB3 H -4.476 3.536 6.025 1.00 . A A . 44 ASN HB3 1 1 2 1481 1 1 44 ASN HD21 H -6.083 2.166 6.867 1.00 . A A . 44 ASN HD21 1 1 2 1482 1 1 44 ASN HD22 H -6.013 1.603 8.499 1.00 . A A . 44 ASN HD22 1 1 2 1483 1 1 44 ASN N N -4.324 1.041 5.084 1.00 . A A . 44 ASN N 1 1 2 1484 1 1 44 ASN ND2 N -5.600 1.999 7.704 1.00 . A A . 44 ASN ND2 1 1 2 1485 1 1 44 ASN O O -2.182 0.721 7.358 1.00 . A A . 44 ASN O 1 1 2 1486 1 1 44 ASN OD1 O -3.631 2.155 8.770 1.00 . A A . 44 ASN OD1 1 1 2 1487 1 1 45 PHE C C 1.255 0.853 6.137 1.00 . A A . 45 PHE C 1 1 2 1488 1 1 45 PHE CA C 0.047 -0.054 5.921 1.00 . A A . 45 PHE CA 1 1 2 1489 1 1 45 PHE CB C 0.385 -1.188 4.957 1.00 . A A . 45 PHE CB 1 1 2 1490 1 1 45 PHE CD1 C -0.825 -3.232 5.764 1.00 . A A . 45 PHE CD1 1 1 2 1491 1 1 45 PHE CD2 C -1.650 -2.117 3.821 1.00 . A A . 45 PHE CD2 1 1 2 1492 1 1 45 PHE CE1 C -1.847 -4.159 5.671 1.00 . A A . 45 PHE CE1 1 1 2 1493 1 1 45 PHE CE2 C -2.673 -3.043 3.722 1.00 . A A . 45 PHE CE2 1 1 2 1494 1 1 45 PHE CG C -0.715 -2.202 4.843 1.00 . A A . 45 PHE CG 1 1 2 1495 1 1 45 PHE CZ C -2.773 -4.065 4.648 1.00 . A A . 45 PHE CZ 1 1 2 1496 1 1 45 PHE H H -1.051 1.009 4.468 1.00 . A A . 45 PHE H 1 1 2 1497 1 1 45 PHE HA H -0.252 -0.476 6.873 1.00 . A A . 45 PHE HA 1 1 2 1498 1 1 45 PHE HB2 H 0.567 -0.776 3.972 1.00 . A A . 45 PHE HB2 1 1 2 1499 1 1 45 PHE HB3 H 1.272 -1.693 5.305 1.00 . A A . 45 PHE HB3 1 1 2 1500 1 1 45 PHE HD1 H -0.103 -3.307 6.564 1.00 . A A . 45 PHE HD1 1 1 2 1501 1 1 45 PHE HD2 H -1.573 -1.320 3.098 1.00 . A A . 45 PHE HD2 1 1 2 1502 1 1 45 PHE HE1 H -1.922 -4.958 6.395 1.00 . A A . 45 PHE HE1 1 1 2 1503 1 1 45 PHE HE2 H -3.394 -2.968 2.921 1.00 . A A . 45 PHE HE2 1 1 2 1504 1 1 45 PHE HZ H -3.570 -4.787 4.571 1.00 . A A . 45 PHE HZ 1 1 2 1505 1 1 45 PHE N N -1.071 0.721 5.403 1.00 . A A . 45 PHE N 1 1 2 1506 1 1 45 PHE O O 1.511 1.756 5.339 1.00 . A A . 45 PHE O 1 1 2 1507 1 1 46 LYS C C 4.217 1.366 6.479 1.00 . A A . 46 LYS C 1 1 2 1508 1 1 46 LYS CA C 3.146 1.439 7.564 1.00 . A A . 46 LYS CA 1 1 2 1509 1 1 46 LYS CB C 3.734 0.995 8.904 1.00 . A A . 46 LYS CB 1 1 2 1510 1 1 46 LYS CD C 5.749 2.208 9.800 1.00 . A A . 46 LYS CD 1 1 2 1511 1 1 46 LYS CE C 6.246 2.985 11.008 1.00 . A A . 46 LYS CE 1 1 2 1512 1 1 46 LYS CG C 4.230 2.149 9.763 1.00 . A A . 46 LYS CG 1 1 2 1513 1 1 46 LYS H H 1.711 -0.096 7.838 1.00 . A A . 46 LYS H 1 1 2 1514 1 1 46 LYS HA H 2.817 2.463 7.652 1.00 . A A . 46 LYS HA 1 1 2 1515 1 1 46 LYS HB2 H 2.976 0.462 9.459 1.00 . A A . 46 LYS HB2 1 1 2 1516 1 1 46 LYS HB3 H 4.565 0.330 8.718 1.00 . A A . 46 LYS HB3 1 1 2 1517 1 1 46 LYS HD2 H 6.139 1.203 9.847 1.00 . A A . 46 LYS HD2 1 1 2 1518 1 1 46 LYS HD3 H 6.104 2.693 8.901 1.00 . A A . 46 LYS HD3 1 1 2 1519 1 1 46 LYS HE2 H 6.324 4.029 10.742 1.00 . A A . 46 LYS HE2 1 1 2 1520 1 1 46 LYS HE3 H 5.532 2.872 11.811 1.00 . A A . 46 LYS HE3 1 1 2 1521 1 1 46 LYS HG2 H 3.854 3.076 9.355 1.00 . A A . 46 LYS HG2 1 1 2 1522 1 1 46 LYS HG3 H 3.859 2.021 10.769 1.00 . A A . 46 LYS HG3 1 1 2 1523 1 1 46 LYS HZ1 H 8.090 2.060 10.682 1.00 . A A . 46 LYS HZ1 1 1 2 1524 1 1 46 LYS HZ2 H 7.458 1.801 12.230 1.00 . A A . 46 LYS HZ2 1 1 2 1525 1 1 46 LYS HZ3 H 8.139 3.298 11.836 1.00 . A A . 46 LYS HZ3 1 1 2 1526 1 1 46 LYS N N 1.978 0.626 7.231 1.00 . A A . 46 LYS N 1 1 2 1527 1 1 46 LYS NZ N 7.575 2.503 11.471 1.00 . A A . 46 LYS NZ 1 1 2 1528 1 1 46 LYS O O 5.104 2.216 6.416 1.00 . A A . 46 LYS O 1 1 2 1529 1 1 47 SER C C 4.548 -0.683 3.442 1.00 . A A . 47 SER C 1 1 2 1530 1 1 47 SER CA C 5.107 0.185 4.556 1.00 . A A . 47 SER CA 1 1 2 1531 1 1 47 SER CB C 6.393 -0.442 5.097 1.00 . A A . 47 SER CB 1 1 2 1532 1 1 47 SER H H 3.409 -0.301 5.719 1.00 . A A . 47 SER H 1 1 2 1533 1 1 47 SER HA H 5.334 1.162 4.158 1.00 . A A . 47 SER HA 1 1 2 1534 1 1 47 SER HB2 H 6.717 -1.230 4.428 1.00 . A A . 47 SER HB2 1 1 2 1535 1 1 47 SER HB3 H 7.160 0.313 5.160 1.00 . A A . 47 SER HB3 1 1 2 1536 1 1 47 SER HG H 6.991 -0.903 6.905 1.00 . A A . 47 SER HG 1 1 2 1537 1 1 47 SER N N 4.135 0.351 5.627 1.00 . A A . 47 SER N 1 1 2 1538 1 1 47 SER O O 3.722 -1.563 3.683 1.00 . A A . 47 SER O 1 1 2 1539 1 1 47 SER OG O 6.189 -0.998 6.384 1.00 . A A . 47 SER OG 1 1 2 1540 1 1 48 ALA C C 4.836 -2.706 1.340 1.00 . A A . 48 ALA C 1 1 2 1541 1 1 48 ALA CA C 4.565 -1.236 1.084 1.00 . A A . 48 ALA CA 1 1 2 1542 1 1 48 ALA CB C 5.238 -0.775 -0.200 1.00 . A A . 48 ALA CB 1 1 2 1543 1 1 48 ALA H H 5.689 0.251 2.087 1.00 . A A . 48 ALA H 1 1 2 1544 1 1 48 ALA HA H 3.495 -1.093 0.989 1.00 . A A . 48 ALA HA 1 1 2 1545 1 1 48 ALA HB1 H 5.457 -1.633 -0.819 1.00 . A A . 48 ALA HB1 1 1 2 1546 1 1 48 ALA HB2 H 6.158 -0.262 0.039 1.00 . A A . 48 ALA HB2 1 1 2 1547 1 1 48 ALA HB3 H 4.579 -0.106 -0.734 1.00 . A A . 48 ALA HB3 1 1 2 1548 1 1 48 ALA N N 5.018 -0.451 2.221 1.00 . A A . 48 ALA N 1 1 2 1549 1 1 48 ALA O O 4.014 -3.563 1.019 1.00 . A A . 48 ALA O 1 1 2 1550 1 1 49 GLU C C 5.260 -4.880 3.256 1.00 . A A . 49 GLU C 1 1 2 1551 1 1 49 GLU CA C 6.318 -4.355 2.302 1.00 . A A . 49 GLU CA 1 1 2 1552 1 1 49 GLU CB C 7.705 -4.423 2.945 1.00 . A A . 49 GLU CB 1 1 2 1553 1 1 49 GLU CD C 9.194 -6.296 2.134 1.00 . A A . 49 GLU CD 1 1 2 1554 1 1 49 GLU CG C 8.196 -5.842 3.183 1.00 . A A . 49 GLU CG 1 1 2 1555 1 1 49 GLU H H 6.578 -2.262 2.218 1.00 . A A . 49 GLU H 1 1 2 1556 1 1 49 GLU HA H 6.308 -4.943 1.398 1.00 . A A . 49 GLU HA 1 1 2 1557 1 1 49 GLU HB2 H 8.413 -3.923 2.302 1.00 . A A . 49 GLU HB2 1 1 2 1558 1 1 49 GLU HB3 H 7.673 -3.913 3.897 1.00 . A A . 49 GLU HB3 1 1 2 1559 1 1 49 GLU HG2 H 8.671 -5.889 4.151 1.00 . A A . 49 GLU HG2 1 1 2 1560 1 1 49 GLU HG3 H 7.348 -6.511 3.166 1.00 . A A . 49 GLU HG3 1 1 2 1561 1 1 49 GLU N N 5.975 -2.989 1.959 1.00 . A A . 49 GLU N 1 1 2 1562 1 1 49 GLU O O 4.835 -6.031 3.166 1.00 . A A . 49 GLU O 1 1 2 1563 1 1 49 GLU OE1 O 10.058 -5.482 1.745 1.00 . A A . 49 GLU OE1 1 1 2 1564 1 1 49 GLU OE2 O 9.111 -7.465 1.703 1.00 . A A . 49 GLU OE2 1 1 2 1565 1 1 50 ASP C C 2.463 -4.608 4.379 1.00 . A A . 50 ASP C 1 1 2 1566 1 1 50 ASP CA C 3.776 -4.337 5.109 1.00 . A A . 50 ASP CA 1 1 2 1567 1 1 50 ASP CB C 3.599 -3.211 6.129 1.00 . A A . 50 ASP CB 1 1 2 1568 1 1 50 ASP CG C 3.391 -3.736 7.536 1.00 . A A . 50 ASP CG 1 1 2 1569 1 1 50 ASP H H 5.183 -3.086 4.149 1.00 . A A . 50 ASP H 1 1 2 1570 1 1 50 ASP HA H 4.081 -5.236 5.624 1.00 . A A . 50 ASP HA 1 1 2 1571 1 1 50 ASP HB2 H 4.481 -2.588 6.125 1.00 . A A . 50 ASP HB2 1 1 2 1572 1 1 50 ASP HB3 H 2.742 -2.617 5.855 1.00 . A A . 50 ASP HB3 1 1 2 1573 1 1 50 ASP N N 4.816 -3.998 4.151 1.00 . A A . 50 ASP N 1 1 2 1574 1 1 50 ASP O O 1.780 -5.591 4.666 1.00 . A A . 50 ASP O 1 1 2 1575 1 1 50 ASP OD1 O 4.390 -4.114 8.183 1.00 . A A . 50 ASP OD1 1 1 2 1576 1 1 50 ASP OD2 O 2.228 -3.768 7.992 1.00 . A A . 50 ASP OD2 1 1 2 1577 1 1 51 CYS C C 0.925 -5.237 1.899 1.00 . A A . 51 CYS C 1 1 2 1578 1 1 51 CYS CA C 0.889 -3.912 2.655 1.00 . A A . 51 CYS CA 1 1 2 1579 1 1 51 CYS CB C 0.717 -2.741 1.675 1.00 . A A . 51 CYS CB 1 1 2 1580 1 1 51 CYS H H 2.698 -2.965 3.224 1.00 . A A . 51 CYS H 1 1 2 1581 1 1 51 CYS HA H 0.057 -3.923 3.345 1.00 . A A . 51 CYS HA 1 1 2 1582 1 1 51 CYS HB2 H 0.303 -1.897 2.208 1.00 . A A . 51 CYS HB2 1 1 2 1583 1 1 51 CYS HB3 H 1.689 -2.471 1.282 1.00 . A A . 51 CYS HB3 1 1 2 1584 1 1 51 CYS N N 2.116 -3.739 3.422 1.00 . A A . 51 CYS N 1 1 2 1585 1 1 51 CYS O O 0.035 -6.073 2.046 1.00 . A A . 51 CYS O 1 1 2 1586 1 1 51 CYS SG S -0.379 -3.081 0.255 1.00 . A A . 51 CYS SG 1 1 2 1587 1 1 52 LEU C C 2.037 -7.890 1.207 1.00 . A A . 52 LEU C 1 1 2 1588 1 1 52 LEU CA C 2.128 -6.649 0.320 1.00 . A A . 52 LEU CA 1 1 2 1589 1 1 52 LEU CB C 3.469 -6.637 -0.414 1.00 . A A . 52 LEU CB 1 1 2 1590 1 1 52 LEU CD1 C 4.947 -5.687 -2.202 1.00 . A A . 52 LEU CD1 1 1 2 1591 1 1 52 LEU CD2 C 2.471 -5.748 -2.534 1.00 . A A . 52 LEU CD2 1 1 2 1592 1 1 52 LEU CG C 3.592 -5.588 -1.519 1.00 . A A . 52 LEU CG 1 1 2 1593 1 1 52 LEU H H 2.651 -4.726 1.031 1.00 . A A . 52 LEU H 1 1 2 1594 1 1 52 LEU HA H 1.331 -6.682 -0.409 1.00 . A A . 52 LEU HA 1 1 2 1595 1 1 52 LEU HB2 H 4.252 -6.460 0.310 1.00 . A A . 52 LEU HB2 1 1 2 1596 1 1 52 LEU HB3 H 3.623 -7.610 -0.855 1.00 . A A . 52 LEU HB3 1 1 2 1597 1 1 52 LEU HD11 H 5.704 -5.255 -1.564 1.00 . A A . 52 LEU HD11 1 1 2 1598 1 1 52 LEU HD12 H 4.918 -5.153 -3.140 1.00 . A A . 52 LEU HD12 1 1 2 1599 1 1 52 LEU HD13 H 5.182 -6.725 -2.386 1.00 . A A . 52 LEU HD13 1 1 2 1600 1 1 52 LEU HD21 H 2.600 -5.031 -3.330 1.00 . A A . 52 LEU HD21 1 1 2 1601 1 1 52 LEU HD22 H 1.520 -5.582 -2.049 1.00 . A A . 52 LEU HD22 1 1 2 1602 1 1 52 LEU HD23 H 2.496 -6.748 -2.943 1.00 . A A . 52 LEU HD23 1 1 2 1603 1 1 52 LEU HG H 3.511 -4.603 -1.081 1.00 . A A . 52 LEU HG 1 1 2 1604 1 1 52 LEU N N 1.968 -5.426 1.099 1.00 . A A . 52 LEU N 1 1 2 1605 1 1 52 LEU O O 1.394 -8.872 0.847 1.00 . A A . 52 LEU O 1 1 2 1606 1 1 53 ARG C C 1.242 -9.328 3.708 1.00 . A A . 53 ARG C 1 1 2 1607 1 1 53 ARG CA C 2.667 -8.978 3.284 1.00 . A A . 53 ARG CA 1 1 2 1608 1 1 53 ARG CB C 3.516 -8.672 4.522 1.00 . A A . 53 ARG CB 1 1 2 1609 1 1 53 ARG CD C 5.976 -9.214 4.521 1.00 . A A . 53 ARG CD 1 1 2 1610 1 1 53 ARG CG C 4.574 -9.727 4.810 1.00 . A A . 53 ARG CG 1 1 2 1611 1 1 53 ARG CZ C 7.424 -10.265 6.218 1.00 . A A . 53 ARG CZ 1 1 2 1612 1 1 53 ARG H H 3.181 -7.037 2.607 1.00 . A A . 53 ARG H 1 1 2 1613 1 1 53 ARG HA H 3.094 -9.826 2.769 1.00 . A A . 53 ARG HA 1 1 2 1614 1 1 53 ARG HB2 H 4.013 -7.724 4.380 1.00 . A A . 53 ARG HB2 1 1 2 1615 1 1 53 ARG HB3 H 2.867 -8.601 5.383 1.00 . A A . 53 ARG HB3 1 1 2 1616 1 1 53 ARG HD2 H 6.437 -9.857 3.787 1.00 . A A . 53 ARG HD2 1 1 2 1617 1 1 53 ARG HD3 H 5.906 -8.212 4.125 1.00 . A A . 53 ARG HD3 1 1 2 1618 1 1 53 ARG HE H 6.918 -8.334 6.182 1.00 . A A . 53 ARG HE 1 1 2 1619 1 1 53 ARG HG2 H 4.513 -10.008 5.852 1.00 . A A . 53 ARG HG2 1 1 2 1620 1 1 53 ARG HG3 H 4.381 -10.592 4.192 1.00 . A A . 53 ARG HG3 1 1 2 1621 1 1 53 ARG HH11 H 6.743 -11.534 4.797 1.00 . A A . 53 ARG HH11 1 1 2 1622 1 1 53 ARG HH12 H 7.765 -12.246 6.000 1.00 . A A . 53 ARG HH12 1 1 2 1623 1 1 53 ARG HH21 H 8.261 -9.270 7.765 1.00 . A A . 53 ARG HH21 1 1 2 1624 1 1 53 ARG HH22 H 8.626 -10.961 7.686 1.00 . A A . 53 ARG HH22 1 1 2 1625 1 1 53 ARG N N 2.681 -7.844 2.365 1.00 . A A . 53 ARG N 1 1 2 1626 1 1 53 ARG NE N 6.809 -9.192 5.721 1.00 . A A . 53 ARG NE 1 1 2 1627 1 1 53 ARG NH1 N 7.300 -11.445 5.623 1.00 . A A . 53 ARG NH1 1 1 2 1628 1 1 53 ARG NH2 N 8.165 -10.156 7.313 1.00 . A A . 53 ARG NH2 1 1 2 1629 1 1 53 ARG O O 0.821 -10.481 3.610 1.00 . A A . 53 ARG O 1 1 2 1630 1 1 54 THR C C -1.854 -8.596 3.485 1.00 . A A . 54 THR C 1 1 2 1631 1 1 54 THR CA C -0.862 -8.533 4.645 1.00 . A A . 54 THR CA 1 1 2 1632 1 1 54 THR CB C -1.264 -7.408 5.597 1.00 . A A . 54 THR CB 1 1 2 1633 1 1 54 THR CG2 C -2.455 -7.755 6.465 1.00 . A A . 54 THR CG2 1 1 2 1634 1 1 54 THR H H 0.906 -7.436 4.249 1.00 . A A . 54 THR H 1 1 2 1635 1 1 54 THR HA H -0.895 -9.469 5.182 1.00 . A A . 54 THR HA 1 1 2 1636 1 1 54 THR HB H -1.523 -6.533 5.015 1.00 . A A . 54 THR HB 1 1 2 1637 1 1 54 THR HG1 H 0.182 -7.870 6.834 1.00 . A A . 54 THR HG1 1 1 2 1638 1 1 54 THR HG21 H -2.240 -8.651 7.029 1.00 . A A . 54 THR HG21 1 1 2 1639 1 1 54 THR HG22 H -3.320 -7.922 5.840 1.00 . A A . 54 THR HG22 1 1 2 1640 1 1 54 THR HG23 H -2.655 -6.940 7.146 1.00 . A A . 54 THR HG23 1 1 2 1641 1 1 54 THR N N 0.511 -8.330 4.189 1.00 . A A . 54 THR N 1 1 2 1642 1 1 54 THR O O -2.607 -9.562 3.350 1.00 . A A . 54 THR O 1 1 2 1643 1 1 54 THR OG1 O -0.190 -7.069 6.456 1.00 . A A . 54 THR OG1 1 1 2 1644 1 1 55 CYS C C -2.304 -8.195 0.320 1.00 . A A . 55 CYS C 1 1 2 1645 1 1 55 CYS CA C -2.811 -7.459 1.558 1.00 . A A . 55 CYS CA 1 1 2 1646 1 1 55 CYS CB C -3.092 -5.993 1.213 1.00 . A A . 55 CYS CB 1 1 2 1647 1 1 55 CYS H H -1.285 -6.791 2.855 1.00 . A A . 55 CYS H 1 1 2 1648 1 1 55 CYS HA H -3.727 -7.921 1.875 1.00 . A A . 55 CYS HA 1 1 2 1649 1 1 55 CYS HB2 H -2.304 -5.373 1.620 1.00 . A A . 55 CYS HB2 1 1 2 1650 1 1 55 CYS HB3 H -3.109 -5.881 0.139 1.00 . A A . 55 CYS HB3 1 1 2 1651 1 1 55 CYS N N -1.883 -7.543 2.677 1.00 . A A . 55 CYS N 1 1 2 1652 1 1 55 CYS O O -3.090 -8.799 -0.410 1.00 . A A . 55 CYS O 1 1 2 1653 1 1 55 CYS SG S -4.678 -5.370 1.860 1.00 . A A . 55 CYS SG 1 1 2 1654 1 1 56 GLY C C -0.465 -10.309 -0.974 1.00 . A A . 56 GLY C 1 1 2 1655 1 1 56 GLY CA C -0.440 -8.797 -1.090 1.00 . A A . 56 GLY CA 1 1 2 1656 1 1 56 GLY H H -0.413 -7.638 0.683 1.00 . A A . 56 GLY H 1 1 2 1657 1 1 56 GLY HA2 H -1.009 -8.505 -1.961 1.00 . A A . 56 GLY HA2 1 1 2 1658 1 1 56 GLY HA3 H 0.583 -8.473 -1.219 1.00 . A A . 56 GLY HA3 1 1 2 1659 1 1 56 GLY N N -1.001 -8.135 0.075 1.00 . A A . 56 GLY N 1 1 2 1660 1 1 56 GLY O O -0.364 -10.857 0.123 1.00 . A A . 56 GLY O 1 1 2 1661 1 1 57 GLY C C -0.446 -13.011 -3.506 1.00 . A A . 57 GLY C 1 1 2 1662 1 1 57 GLY CA C -0.633 -12.433 -2.116 1.00 . A A . 57 GLY CA 1 1 2 1663 1 1 57 GLY H H -0.676 -10.490 -2.956 1.00 . A A . 57 GLY H 1 1 2 1664 1 1 57 GLY HA2 H 0.155 -12.802 -1.477 1.00 . A A . 57 GLY HA2 1 1 2 1665 1 1 57 GLY HA3 H -1.584 -12.763 -1.726 1.00 . A A . 57 GLY HA3 1 1 2 1666 1 1 57 GLY N N -0.601 -10.983 -2.112 1.00 . A A . 57 GLY N 1 1 2 1667 1 1 57 GLY O O -0.959 -14.088 -3.812 1.00 . A A . 57 GLY O 1 1 2 1668 1 1 58 ALA C C 1.602 -13.839 -5.741 1.00 . A A . 58 ALA C 1 1 2 1669 1 1 58 ALA CA C 0.545 -12.741 -5.713 1.00 . A A . 58 ALA CA 1 1 2 1670 1 1 58 ALA CB C 0.974 -11.567 -6.582 1.00 . A A . 58 ALA CB 1 1 2 1671 1 1 58 ALA H H 0.673 -11.444 -4.045 1.00 . A A . 58 ALA H 1 1 2 1672 1 1 58 ALA HA H -0.379 -13.134 -6.112 1.00 . A A . 58 ALA HA 1 1 2 1673 1 1 58 ALA HB1 H 1.712 -11.899 -7.297 1.00 . A A . 58 ALA HB1 1 1 2 1674 1 1 58 ALA HB2 H 1.400 -10.794 -5.959 1.00 . A A . 58 ALA HB2 1 1 2 1675 1 1 58 ALA HB3 H 0.116 -11.174 -7.107 1.00 . A A . 58 ALA HB3 1 1 2 1676 1 1 58 ALA N N 0.290 -12.293 -4.348 1.00 . A A . 58 ALA N 1 1 2 1677 1 1 58 ALA O O 1.278 -14.959 -6.190 1.00 . A A . 58 ALA O 1 1 2 1678 1 1 58 ALA OXT O 2.746 -13.571 -5.316 1.00 . A A . 58 ALA OXT 1 1 3 1679 1 1 1 ARG C C -8.054 -10.586 0.669 1.00 . A A . 1 ARG C 1 1 3 1680 1 1 1 ARG CA C -7.179 -11.067 -0.487 1.00 . A A . 1 ARG CA 1 1 3 1681 1 1 1 ARG CB C -7.133 -10.008 -1.589 1.00 . A A . 1 ARG CB 1 1 3 1682 1 1 1 ARG CD C -8.645 -10.401 -3.559 1.00 . A A . 1 ARG CD 1 1 3 1683 1 1 1 ARG CG C -8.490 -9.717 -2.211 1.00 . A A . 1 ARG CG 1 1 3 1684 1 1 1 ARG CZ C -10.170 -10.343 -5.496 1.00 . A A . 1 ARG CZ 1 1 3 1685 1 1 1 ARG H1 H -8.730 -12.220 -1.192 1.00 . A A . 1 ARG H1 1 1 3 1686 1 1 1 ARG H2 H -7.485 -13.099 -0.405 1.00 . A A . 1 ARG H2 1 1 3 1687 1 1 1 ARG H3 H -7.232 -12.476 -1.984 1.00 . A A . 1 ARG H3 1 1 3 1688 1 1 1 ARG HA H -6.180 -11.244 -0.122 1.00 . A A . 1 ARG HA 1 1 3 1689 1 1 1 ARG HB2 H -6.746 -9.089 -1.173 1.00 . A A . 1 ARG HB2 1 1 3 1690 1 1 1 ARG HB3 H -6.467 -10.347 -2.370 1.00 . A A . 1 ARG HB3 1 1 3 1691 1 1 1 ARG HD2 H -7.790 -10.159 -4.173 1.00 . A A . 1 ARG HD2 1 1 3 1692 1 1 1 ARG HD3 H -8.685 -11.469 -3.405 1.00 . A A . 1 ARG HD3 1 1 3 1693 1 1 1 ARG HE H -10.478 -9.391 -3.767 1.00 . A A . 1 ARG HE 1 1 3 1694 1 1 1 ARG HG2 H -9.262 -10.076 -1.547 1.00 . A A . 1 ARG HG2 1 1 3 1695 1 1 1 ARG HG3 H -8.592 -8.651 -2.343 1.00 . A A . 1 ARG HG3 1 1 3 1696 1 1 1 ARG HH11 H -8.508 -11.462 -5.769 1.00 . A A . 1 ARG HH11 1 1 3 1697 1 1 1 ARG HH12 H -9.595 -11.407 -7.115 1.00 . A A . 1 ARG HH12 1 1 3 1698 1 1 1 ARG HH21 H -11.912 -9.318 -5.540 1.00 . A A . 1 ARG HH21 1 1 3 1699 1 1 1 ARG HH22 H -11.527 -10.189 -6.987 1.00 . A A . 1 ARG HH22 1 1 3 1700 1 1 1 ARG N N -7.704 -12.330 -1.069 1.00 . A A . 1 ARG N 1 1 3 1701 1 1 1 ARG NE N -9.861 -9.977 -4.253 1.00 . A A . 1 ARG NE 1 1 3 1702 1 1 1 ARG NH1 N -9.357 -11.135 -6.182 1.00 . A A . 1 ARG NH1 1 1 3 1703 1 1 1 ARG NH2 N -11.295 -9.915 -6.053 1.00 . A A . 1 ARG NH2 1 1 3 1704 1 1 1 ARG O O -9.261 -10.827 0.684 1.00 . A A . 1 ARG O 1 1 3 1705 1 1 2 PRO C C -9.239 -8.349 2.410 1.00 . A A . 2 PRO C 1 1 3 1706 1 1 2 PRO CA C -8.194 -9.386 2.816 1.00 . A A . 2 PRO CA 1 1 3 1707 1 1 2 PRO CB C -7.112 -8.755 3.704 1.00 . A A . 2 PRO CB 1 1 3 1708 1 1 2 PRO CD C -6.024 -9.564 1.728 1.00 . A A . 2 PRO CD 1 1 3 1709 1 1 2 PRO CG C -5.812 -9.281 3.187 1.00 . A A . 2 PRO CG 1 1 3 1710 1 1 2 PRO HA H -8.681 -10.186 3.353 1.00 . A A . 2 PRO HA 1 1 3 1711 1 1 2 PRO HB2 H -7.164 -7.682 3.623 1.00 . A A . 2 PRO HB2 1 1 3 1712 1 1 2 PRO HB3 H -7.274 -9.054 4.732 1.00 . A A . 2 PRO HB3 1 1 3 1713 1 1 2 PRO HD2 H -5.800 -8.689 1.135 1.00 . A A . 2 PRO HD2 1 1 3 1714 1 1 2 PRO HD3 H -5.417 -10.402 1.415 1.00 . A A . 2 PRO HD3 1 1 3 1715 1 1 2 PRO HG2 H -5.037 -8.539 3.316 1.00 . A A . 2 PRO HG2 1 1 3 1716 1 1 2 PRO HG3 H -5.552 -10.189 3.710 1.00 . A A . 2 PRO HG3 1 1 3 1717 1 1 2 PRO N N -7.455 -9.897 1.658 1.00 . A A . 2 PRO N 1 1 3 1718 1 1 2 PRO O O -8.983 -7.478 1.579 1.00 . A A . 2 PRO O 1 1 3 1719 1 1 3 ASP C C -11.110 -6.101 2.625 1.00 . A A . 3 ASP C 1 1 3 1720 1 1 3 ASP CA C -11.538 -7.566 2.683 1.00 . A A . 3 ASP CA 1 1 3 1721 1 1 3 ASP CB C -12.649 -7.729 3.721 1.00 . A A . 3 ASP CB 1 1 3 1722 1 1 3 ASP CG C -14.029 -7.737 3.092 1.00 . A A . 3 ASP CG 1 1 3 1723 1 1 3 ASP H H -10.571 -9.194 3.631 1.00 . A A . 3 ASP H 1 1 3 1724 1 1 3 ASP HA H -11.927 -7.846 1.714 1.00 . A A . 3 ASP HA 1 1 3 1725 1 1 3 ASP HB2 H -12.509 -8.661 4.249 1.00 . A A . 3 ASP HB2 1 1 3 1726 1 1 3 ASP HB3 H -12.599 -6.908 4.426 1.00 . A A . 3 ASP HB3 1 1 3 1727 1 1 3 ASP N N -10.428 -8.467 2.990 1.00 . A A . 3 ASP N 1 1 3 1728 1 1 3 ASP O O -11.255 -5.446 1.595 1.00 . A A . 3 ASP O 1 1 3 1729 1 1 3 ASP OD1 O -14.145 -8.153 1.921 1.00 . A A . 3 ASP OD1 1 1 3 1730 1 1 3 ASP OD2 O -14.994 -7.328 3.772 1.00 . A A . 3 ASP OD2 1 1 3 1731 1 1 4 PHE C C -9.262 -3.779 2.693 1.00 . A A . 4 PHE C 1 1 3 1732 1 1 4 PHE CA C -10.206 -4.183 3.826 1.00 . A A . 4 PHE CA 1 1 3 1733 1 1 4 PHE CB C -9.540 -3.894 5.168 1.00 . A A . 4 PHE CB 1 1 3 1734 1 1 4 PHE CD1 C -8.694 -6.023 6.186 1.00 . A A . 4 PHE CD1 1 1 3 1735 1 1 4 PHE CD2 C -7.121 -4.544 5.177 1.00 . A A . 4 PHE CD2 1 1 3 1736 1 1 4 PHE CE1 C -7.671 -6.891 6.512 1.00 . A A . 4 PHE CE1 1 1 3 1737 1 1 4 PHE CE2 C -6.095 -5.410 5.499 1.00 . A A . 4 PHE CE2 1 1 3 1738 1 1 4 PHE CG C -8.430 -4.842 5.516 1.00 . A A . 4 PHE CG 1 1 3 1739 1 1 4 PHE CZ C -6.371 -6.585 6.167 1.00 . A A . 4 PHE CZ 1 1 3 1740 1 1 4 PHE H H -10.547 -6.148 4.541 1.00 . A A . 4 PHE H 1 1 3 1741 1 1 4 PHE HA H -11.102 -3.582 3.754 1.00 . A A . 4 PHE HA 1 1 3 1742 1 1 4 PHE HB2 H -9.120 -2.902 5.137 1.00 . A A . 4 PHE HB2 1 1 3 1743 1 1 4 PHE HB3 H -10.284 -3.947 5.951 1.00 . A A . 4 PHE HB3 1 1 3 1744 1 1 4 PHE HD1 H -9.711 -6.264 6.455 1.00 . A A . 4 PHE HD1 1 1 3 1745 1 1 4 PHE HD2 H -6.904 -3.624 4.654 1.00 . A A . 4 PHE HD2 1 1 3 1746 1 1 4 PHE HE1 H -7.890 -7.811 7.036 1.00 . A A . 4 PHE HE1 1 1 3 1747 1 1 4 PHE HE2 H -5.079 -5.168 5.228 1.00 . A A . 4 PHE HE2 1 1 3 1748 1 1 4 PHE HZ H -5.570 -7.264 6.421 1.00 . A A . 4 PHE HZ 1 1 3 1749 1 1 4 PHE N N -10.616 -5.583 3.744 1.00 . A A . 4 PHE N 1 1 3 1750 1 1 4 PHE O O -9.261 -2.627 2.263 1.00 . A A . 4 PHE O 1 1 3 1751 1 1 5 CYS C C -8.286 -3.968 -0.124 1.00 . A A . 5 CYS C 1 1 3 1752 1 1 5 CYS CA C -7.538 -4.435 1.118 1.00 . A A . 5 CYS CA 1 1 3 1753 1 1 5 CYS CB C -6.690 -5.660 0.791 1.00 . A A . 5 CYS CB 1 1 3 1754 1 1 5 CYS H H -8.523 -5.627 2.565 1.00 . A A . 5 CYS H 1 1 3 1755 1 1 5 CYS HA H -6.883 -3.644 1.446 1.00 . A A . 5 CYS HA 1 1 3 1756 1 1 5 CYS HB2 H -7.337 -6.475 0.505 1.00 . A A . 5 CYS HB2 1 1 3 1757 1 1 5 CYS HB3 H -6.037 -5.419 -0.033 1.00 . A A . 5 CYS HB3 1 1 3 1758 1 1 5 CYS N N -8.471 -4.723 2.202 1.00 . A A . 5 CYS N 1 1 3 1759 1 1 5 CYS O O -7.718 -3.323 -1.002 1.00 . A A . 5 CYS O 1 1 3 1760 1 1 5 CYS SG S -5.650 -6.231 2.172 1.00 . A A . 5 CYS SG 1 1 3 1761 1 1 6 LEU C C -10.859 -2.449 -1.193 1.00 . A A . 6 LEU C 1 1 3 1762 1 1 6 LEU CA C -10.406 -3.902 -1.313 1.00 . A A . 6 LEU CA 1 1 3 1763 1 1 6 LEU CB C -11.630 -4.815 -1.410 1.00 . A A . 6 LEU CB 1 1 3 1764 1 1 6 LEU CD1 C -12.646 -7.073 -1.017 1.00 . A A . 6 LEU CD1 1 1 3 1765 1 1 6 LEU CD2 C -10.590 -6.859 -2.420 1.00 . A A . 6 LEU CD2 1 1 3 1766 1 1 6 LEU CG C -11.350 -6.307 -1.223 1.00 . A A . 6 LEU CG 1 1 3 1767 1 1 6 LEU H H -9.965 -4.796 0.559 1.00 . A A . 6 LEU H 1 1 3 1768 1 1 6 LEU HA H -9.816 -4.010 -2.213 1.00 . A A . 6 LEU HA 1 1 3 1769 1 1 6 LEU HB2 H -12.342 -4.507 -0.659 1.00 . A A . 6 LEU HB2 1 1 3 1770 1 1 6 LEU HB3 H -12.079 -4.677 -2.383 1.00 . A A . 6 LEU HB3 1 1 3 1771 1 1 6 LEU HD11 H -12.930 -7.028 0.025 1.00 . A A . 6 LEU HD11 1 1 3 1772 1 1 6 LEU HD12 H -12.506 -8.103 -1.308 1.00 . A A . 6 LEU HD12 1 1 3 1773 1 1 6 LEU HD13 H -13.426 -6.631 -1.621 1.00 . A A . 6 LEU HD13 1 1 3 1774 1 1 6 LEU HD21 H -9.626 -6.378 -2.489 1.00 . A A . 6 LEU HD21 1 1 3 1775 1 1 6 LEU HD22 H -11.153 -6.667 -3.322 1.00 . A A . 6 LEU HD22 1 1 3 1776 1 1 6 LEU HD23 H -10.455 -7.923 -2.300 1.00 . A A . 6 LEU HD23 1 1 3 1777 1 1 6 LEU HG H -10.739 -6.445 -0.343 1.00 . A A . 6 LEU HG 1 1 3 1778 1 1 6 LEU N N -9.570 -4.288 -0.180 1.00 . A A . 6 LEU N 1 1 3 1779 1 1 6 LEU O O -11.357 -1.866 -2.157 1.00 . A A . 6 LEU O 1 1 3 1780 1 1 7 GLU C C -10.132 0.483 -0.500 1.00 . A A . 7 GLU C 1 1 3 1781 1 1 7 GLU CA C -11.078 -0.479 0.218 1.00 . A A . 7 GLU CA 1 1 3 1782 1 1 7 GLU CB C -11.093 -0.161 1.714 1.00 . A A . 7 GLU CB 1 1 3 1783 1 1 7 GLU CD C -12.442 -0.448 3.831 1.00 . A A . 7 GLU CD 1 1 3 1784 1 1 7 GLU CG C -12.004 -1.072 2.520 1.00 . A A . 7 GLU CG 1 1 3 1785 1 1 7 GLU H H -10.284 -2.379 0.724 1.00 . A A . 7 GLU H 1 1 3 1786 1 1 7 GLU HA H -12.070 -0.349 -0.179 1.00 . A A . 7 GLU HA 1 1 3 1787 1 1 7 GLU HB2 H -10.089 -0.254 2.104 1.00 . A A . 7 GLU HB2 1 1 3 1788 1 1 7 GLU HB3 H -11.428 0.857 1.850 1.00 . A A . 7 GLU HB3 1 1 3 1789 1 1 7 GLU HG2 H -12.884 -1.290 1.933 1.00 . A A . 7 GLU HG2 1 1 3 1790 1 1 7 GLU HG3 H -11.477 -1.989 2.733 1.00 . A A . 7 GLU HG3 1 1 3 1791 1 1 7 GLU N N -10.686 -1.866 -0.010 1.00 . A A . 7 GLU N 1 1 3 1792 1 1 7 GLU O O -8.950 0.563 -0.166 1.00 . A A . 7 GLU O 1 1 3 1793 1 1 7 GLU OE1 O -12.204 0.763 4.021 1.00 . A A . 7 GLU OE1 1 1 3 1794 1 1 7 GLU OE2 O -13.021 -1.172 4.668 1.00 . A A . 7 GLU OE2 1 1 3 1795 1 1 8 PRO C C -9.738 3.546 -1.561 1.00 . A A . 8 PRO C 1 1 3 1796 1 1 8 PRO CA C -9.831 2.186 -2.252 1.00 . A A . 8 PRO CA 1 1 3 1797 1 1 8 PRO CB C -10.598 2.305 -3.564 1.00 . A A . 8 PRO CB 1 1 3 1798 1 1 8 PRO CD C -12.039 1.214 -1.973 1.00 . A A . 8 PRO CD 1 1 3 1799 1 1 8 PRO CG C -12.027 2.135 -3.172 1.00 . A A . 8 PRO CG 1 1 3 1800 1 1 8 PRO HA H -8.841 1.805 -2.440 1.00 . A A . 8 PRO HA 1 1 3 1801 1 1 8 PRO HB2 H -10.418 3.276 -4.004 1.00 . A A . 8 PRO HB2 1 1 3 1802 1 1 8 PRO HB3 H -10.282 1.528 -4.244 1.00 . A A . 8 PRO HB3 1 1 3 1803 1 1 8 PRO HD2 H -12.707 1.594 -1.215 1.00 . A A . 8 PRO HD2 1 1 3 1804 1 1 8 PRO HD3 H -12.332 0.217 -2.270 1.00 . A A . 8 PRO HD3 1 1 3 1805 1 1 8 PRO HG2 H -12.449 3.094 -2.909 1.00 . A A . 8 PRO HG2 1 1 3 1806 1 1 8 PRO HG3 H -12.580 1.694 -3.987 1.00 . A A . 8 PRO HG3 1 1 3 1807 1 1 8 PRO N N -10.640 1.232 -1.498 1.00 . A A . 8 PRO N 1 1 3 1808 1 1 8 PRO O O -10.643 3.939 -0.826 1.00 . A A . 8 PRO O 1 1 3 1809 1 1 9 PRO C C -8.975 6.707 -2.093 1.00 . A A . 9 PRO C 1 1 3 1810 1 1 9 PRO CA C -8.426 5.597 -1.205 1.00 . A A . 9 PRO CA 1 1 3 1811 1 1 9 PRO CB C -6.897 5.694 -1.105 1.00 . A A . 9 PRO CB 1 1 3 1812 1 1 9 PRO CD C -7.507 3.916 -2.649 1.00 . A A . 9 PRO CD 1 1 3 1813 1 1 9 PRO CG C -6.345 4.622 -2.003 1.00 . A A . 9 PRO CG 1 1 3 1814 1 1 9 PRO HA H -8.864 5.669 -0.222 1.00 . A A . 9 PRO HA 1 1 3 1815 1 1 9 PRO HB2 H -6.573 6.674 -1.424 1.00 . A A . 9 PRO HB2 1 1 3 1816 1 1 9 PRO HB3 H -6.596 5.533 -0.080 1.00 . A A . 9 PRO HB3 1 1 3 1817 1 1 9 PRO HD2 H -7.652 4.276 -3.659 1.00 . A A . 9 PRO HD2 1 1 3 1818 1 1 9 PRO HD3 H -7.341 2.849 -2.644 1.00 . A A . 9 PRO HD3 1 1 3 1819 1 1 9 PRO HG2 H -5.724 5.071 -2.761 1.00 . A A . 9 PRO HG2 1 1 3 1820 1 1 9 PRO HG3 H -5.771 3.922 -1.415 1.00 . A A . 9 PRO HG3 1 1 3 1821 1 1 9 PRO N N -8.638 4.285 -1.793 1.00 . A A . 9 PRO N 1 1 3 1822 1 1 9 PRO O O -9.690 6.441 -3.060 1.00 . A A . 9 PRO O 1 1 3 1823 1 1 10 TYR C C -8.132 10.261 -2.449 1.00 . A A . 10 TYR C 1 1 3 1824 1 1 10 TYR CA C -9.106 9.090 -2.542 1.00 . A A . 10 TYR CA 1 1 3 1825 1 1 10 TYR CB C -10.490 9.510 -2.057 1.00 . A A . 10 TYR CB 1 1 3 1826 1 1 10 TYR CD1 C -10.521 9.250 0.456 1.00 . A A . 10 TYR CD1 1 1 3 1827 1 1 10 TYR CD2 C -10.534 11.457 -0.446 1.00 . A A . 10 TYR CD2 1 1 3 1828 1 1 10 TYR CE1 C -10.556 9.768 1.737 1.00 . A A . 10 TYR CE1 1 1 3 1829 1 1 10 TYR CE2 C -10.565 11.984 0.833 1.00 . A A . 10 TYR CE2 1 1 3 1830 1 1 10 TYR CG C -10.510 10.085 -0.656 1.00 . A A . 10 TYR CG 1 1 3 1831 1 1 10 TYR CZ C -10.578 11.134 1.921 1.00 . A A . 10 TYR CZ 1 1 3 1832 1 1 10 TYR H H -8.075 8.105 -0.987 1.00 . A A . 10 TYR H 1 1 3 1833 1 1 10 TYR HA H -9.177 8.781 -3.577 1.00 . A A . 10 TYR HA 1 1 3 1834 1 1 10 TYR HB2 H -10.888 10.255 -2.727 1.00 . A A . 10 TYR HB2 1 1 3 1835 1 1 10 TYR HB3 H -11.131 8.645 -2.066 1.00 . A A . 10 TYR HB3 1 1 3 1836 1 1 10 TYR HD1 H -10.503 8.181 0.309 1.00 . A A . 10 TYR HD1 1 1 3 1837 1 1 10 TYR HD2 H -10.524 12.119 -1.299 1.00 . A A . 10 TYR HD2 1 1 3 1838 1 1 10 TYR HE1 H -10.562 9.103 2.588 1.00 . A A . 10 TYR HE1 1 1 3 1839 1 1 10 TYR HE2 H -10.583 13.054 0.975 1.00 . A A . 10 TYR HE2 1 1 3 1840 1 1 10 TYR HH H -10.226 12.531 3.199 1.00 . A A . 10 TYR HH 1 1 3 1841 1 1 10 TYR N N -8.641 7.951 -1.766 1.00 . A A . 10 TYR N 1 1 3 1842 1 1 10 TYR O O -7.672 10.616 -1.363 1.00 . A A . 10 TYR O 1 1 3 1843 1 1 10 TYR OH O -10.614 11.652 3.197 1.00 . A A . 10 TYR OH 1 1 3 1844 1 1 11 ALA C C -7.626 13.268 -4.017 1.00 . A A . 11 ALA C 1 1 3 1845 1 1 11 ALA CA C -6.898 11.979 -3.658 1.00 . A A . 11 ALA CA 1 1 3 1846 1 1 11 ALA CB C -5.786 11.701 -4.660 1.00 . A A . 11 ALA CB 1 1 3 1847 1 1 11 ALA H H -8.215 10.516 -4.430 1.00 . A A . 11 ALA H 1 1 3 1848 1 1 11 ALA HA H -6.452 12.095 -2.685 1.00 . A A . 11 ALA HA 1 1 3 1849 1 1 11 ALA HB1 H -6.143 11.015 -5.414 1.00 . A A . 11 ALA HB1 1 1 3 1850 1 1 11 ALA HB2 H -4.941 11.266 -4.149 1.00 . A A . 11 ALA HB2 1 1 3 1851 1 1 11 ALA HB3 H -5.486 12.626 -5.131 1.00 . A A . 11 ALA HB3 1 1 3 1852 1 1 11 ALA N N -7.818 10.851 -3.600 1.00 . A A . 11 ALA N 1 1 3 1853 1 1 11 ALA O O -8.099 13.436 -5.141 1.00 . A A . 11 ALA O 1 1 3 1854 1 1 12 GLY C C -7.983 16.498 -2.270 1.00 . A A . 12 GLY C 1 1 3 1855 1 1 12 GLY CA C -8.383 15.439 -3.278 1.00 . A A . 12 GLY CA 1 1 3 1856 1 1 12 GLY H H -7.313 13.985 -2.176 1.00 . A A . 12 GLY H 1 1 3 1857 1 1 12 GLY HA2 H -8.140 15.791 -4.270 1.00 . A A . 12 GLY HA2 1 1 3 1858 1 1 12 GLY HA3 H -9.451 15.281 -3.215 1.00 . A A . 12 GLY HA3 1 1 3 1859 1 1 12 GLY N N -7.711 14.176 -3.051 1.00 . A A . 12 GLY N 1 1 3 1860 1 1 12 GLY O O -6.857 16.996 -2.296 1.00 . A A . 12 GLY O 1 1 3 1861 1 1 13 ALA C C -7.886 17.303 0.802 1.00 . A A . 13 ALA C 1 1 3 1862 1 1 13 ALA CA C -8.667 17.857 -0.386 1.00 . A A . 13 ALA CA 1 1 3 1863 1 1 13 ALA CB C -9.982 18.464 0.080 1.00 . A A . 13 ALA CB 1 1 3 1864 1 1 13 ALA H H -9.778 16.440 -1.424 1.00 . A A . 13 ALA H 1 1 3 1865 1 1 13 ALA HA H -8.100 18.624 -0.855 1.00 . A A . 13 ALA HA 1 1 3 1866 1 1 13 ALA HB1 H -10.620 18.641 -0.774 1.00 . A A . 13 ALA HB1 1 1 3 1867 1 1 13 ALA HB2 H -9.788 19.400 0.584 1.00 . A A . 13 ALA HB2 1 1 3 1868 1 1 13 ALA HB3 H -10.473 17.784 0.761 1.00 . A A . 13 ALA HB3 1 1 3 1869 1 1 13 ALA N N -8.910 16.850 -1.388 1.00 . A A . 13 ALA N 1 1 3 1870 1 1 13 ALA O O -8.460 17.029 1.857 1.00 . A A . 13 ALA O 1 1 3 1871 1 1 14 CYS C C -4.273 17.103 1.481 1.00 . A A . 14 CYS C 1 1 3 1872 1 1 14 CYS CA C -5.712 16.645 1.699 1.00 . A A . 14 CYS CA 1 1 3 1873 1 1 14 CYS CB C -5.748 15.113 1.771 1.00 . A A . 14 CYS CB 1 1 3 1874 1 1 14 CYS H H -6.171 17.395 -0.231 1.00 . A A . 14 CYS H 1 1 3 1875 1 1 14 CYS HA H -6.066 17.049 2.635 1.00 . A A . 14 CYS HA 1 1 3 1876 1 1 14 CYS HB2 H -5.093 14.715 1.014 1.00 . A A . 14 CYS HB2 1 1 3 1877 1 1 14 CYS HB3 H -5.389 14.806 2.741 1.00 . A A . 14 CYS HB3 1 1 3 1878 1 1 14 CYS N N -6.574 17.153 0.632 1.00 . A A . 14 CYS N 1 1 3 1879 1 1 14 CYS O O -3.957 17.729 0.470 1.00 . A A . 14 CYS O 1 1 3 1880 1 1 14 CYS SG S -7.390 14.360 1.527 1.00 . A A . 14 CYS SG 1 1 3 1881 1 1 15 ARG C C -1.128 16.234 3.166 1.00 . A A . 15 ARG C 1 1 3 1882 1 1 15 ARG CA C -2.004 17.177 2.353 1.00 . A A . 15 ARG CA 1 1 3 1883 1 1 15 ARG CB C -1.817 18.616 2.841 1.00 . A A . 15 ARG CB 1 1 3 1884 1 1 15 ARG CD C -1.992 20.214 4.776 1.00 . A A . 15 ARG CD 1 1 3 1885 1 1 15 ARG CG C -2.477 18.900 4.182 1.00 . A A . 15 ARG CG 1 1 3 1886 1 1 15 ARG CZ C -3.104 22.421 4.770 1.00 . A A . 15 ARG CZ 1 1 3 1887 1 1 15 ARG H H -3.721 16.296 3.224 1.00 . A A . 15 ARG H 1 1 3 1888 1 1 15 ARG HA H -1.709 17.118 1.316 1.00 . A A . 15 ARG HA 1 1 3 1889 1 1 15 ARG HB2 H -0.760 18.817 2.935 1.00 . A A . 15 ARG HB2 1 1 3 1890 1 1 15 ARG HB3 H -2.238 19.290 2.108 1.00 . A A . 15 ARG HB3 1 1 3 1891 1 1 15 ARG HD2 H -1.460 20.005 5.692 1.00 . A A . 15 ARG HD2 1 1 3 1892 1 1 15 ARG HD3 H -1.325 20.686 4.073 1.00 . A A . 15 ARG HD3 1 1 3 1893 1 1 15 ARG HE H -3.888 20.742 5.509 1.00 . A A . 15 ARG HE 1 1 3 1894 1 1 15 ARG HG2 H -3.545 18.954 4.043 1.00 . A A . 15 ARG HG2 1 1 3 1895 1 1 15 ARG HG3 H -2.241 18.098 4.865 1.00 . A A . 15 ARG HG3 1 1 3 1896 1 1 15 ARG HH11 H -1.254 22.434 3.949 1.00 . A A . 15 ARG HH11 1 1 3 1897 1 1 15 ARG HH12 H -2.073 23.958 3.957 1.00 . A A . 15 ARG HH12 1 1 3 1898 1 1 15 ARG HH21 H -4.952 22.747 5.518 1.00 . A A . 15 ARG HH21 1 1 3 1899 1 1 15 ARG HH22 H -4.166 24.138 4.848 1.00 . A A . 15 ARG HH22 1 1 3 1900 1 1 15 ARG N N -3.408 16.791 2.439 1.00 . A A . 15 ARG N 1 1 3 1901 1 1 15 ARG NE N -3.100 21.121 5.068 1.00 . A A . 15 ARG NE 1 1 3 1902 1 1 15 ARG NH1 N -2.057 22.983 4.177 1.00 . A A . 15 ARG NH1 1 1 3 1903 1 1 15 ARG NH2 N -4.161 23.162 5.070 1.00 . A A . 15 ARG NH2 1 1 3 1904 1 1 15 ARG O O -0.854 16.478 4.341 1.00 . A A . 15 ARG O 1 1 3 1905 1 1 16 ALA C C 0.829 13.258 2.169 1.00 . A A . 16 ALA C 1 1 3 1906 1 1 16 ALA CA C 0.164 14.174 3.187 1.00 . A A . 16 ALA CA 1 1 3 1907 1 1 16 ALA CB C -0.644 13.357 4.184 1.00 . A A . 16 ALA CB 1 1 3 1908 1 1 16 ALA H H -0.936 15.020 1.592 1.00 . A A . 16 ALA H 1 1 3 1909 1 1 16 ALA HA H 0.928 14.706 3.731 1.00 . A A . 16 ALA HA 1 1 3 1910 1 1 16 ALA HB1 H -1.262 14.018 4.774 1.00 . A A . 16 ALA HB1 1 1 3 1911 1 1 16 ALA HB2 H 0.029 12.818 4.835 1.00 . A A . 16 ALA HB2 1 1 3 1912 1 1 16 ALA HB3 H -1.269 12.655 3.652 1.00 . A A . 16 ALA HB3 1 1 3 1913 1 1 16 ALA N N -0.686 15.156 2.529 1.00 . A A . 16 ALA N 1 1 3 1914 1 1 16 ALA O O 0.223 12.882 1.165 1.00 . A A . 16 ALA O 1 1 3 1915 1 1 17 ALA C C 3.973 11.366 2.323 1.00 . A A . 17 ALA C 1 1 3 1916 1 1 17 ALA CA C 2.825 12.022 1.571 1.00 . A A . 17 ALA CA 1 1 3 1917 1 1 17 ALA CB C 3.327 12.781 0.351 1.00 . A A . 17 ALA CB 1 1 3 1918 1 1 17 ALA H H 2.495 13.213 3.254 1.00 . A A . 17 ALA H 1 1 3 1919 1 1 17 ALA HA H 2.152 11.260 1.245 1.00 . A A . 17 ALA HA 1 1 3 1920 1 1 17 ALA HB1 H 3.051 13.822 0.437 1.00 . A A . 17 ALA HB1 1 1 3 1921 1 1 17 ALA HB2 H 2.882 12.363 -0.540 1.00 . A A . 17 ALA HB2 1 1 3 1922 1 1 17 ALA HB3 H 4.402 12.699 0.288 1.00 . A A . 17 ALA HB3 1 1 3 1923 1 1 17 ALA N N 2.075 12.895 2.443 1.00 . A A . 17 ALA N 1 1 3 1924 1 1 17 ALA O O 5.108 11.329 1.849 1.00 . A A . 17 ALA O 1 1 3 1925 1 1 18 ALA C C 5.047 8.838 3.743 1.00 . A A . 18 ALA C 1 1 3 1926 1 1 18 ALA CA C 4.651 10.183 4.335 1.00 . A A . 18 ALA CA 1 1 3 1927 1 1 18 ALA CB C 4.118 10.007 5.751 1.00 . A A . 18 ALA CB 1 1 3 1928 1 1 18 ALA H H 2.734 10.909 3.817 1.00 . A A . 18 ALA H 1 1 3 1929 1 1 18 ALA HA H 5.526 10.815 4.381 1.00 . A A . 18 ALA HA 1 1 3 1930 1 1 18 ALA HB1 H 4.135 8.961 6.016 1.00 . A A . 18 ALA HB1 1 1 3 1931 1 1 18 ALA HB2 H 3.104 10.375 5.801 1.00 . A A . 18 ALA HB2 1 1 3 1932 1 1 18 ALA HB3 H 4.736 10.563 6.439 1.00 . A A . 18 ALA HB3 1 1 3 1933 1 1 18 ALA N N 3.660 10.847 3.501 1.00 . A A . 18 ALA N 1 1 3 1934 1 1 18 ALA O O 4.593 8.466 2.660 1.00 . A A . 18 ALA O 1 1 3 1935 1 1 19 ALA C C 5.287 5.735 4.245 1.00 . A A . 19 ALA C 1 1 3 1936 1 1 19 ALA CA C 6.349 6.804 4.004 1.00 . A A . 19 ALA CA 1 1 3 1937 1 1 19 ALA CB C 7.651 6.428 4.696 1.00 . A A . 19 ALA CB 1 1 3 1938 1 1 19 ALA H H 6.220 8.459 5.313 1.00 . A A . 19 ALA H 1 1 3 1939 1 1 19 ALA HA H 6.540 6.871 2.944 1.00 . A A . 19 ALA HA 1 1 3 1940 1 1 19 ALA HB1 H 7.570 6.632 5.753 1.00 . A A . 19 ALA HB1 1 1 3 1941 1 1 19 ALA HB2 H 8.461 7.009 4.279 1.00 . A A . 19 ALA HB2 1 1 3 1942 1 1 19 ALA HB3 H 7.848 5.377 4.545 1.00 . A A . 19 ALA HB3 1 1 3 1943 1 1 19 ALA N N 5.894 8.110 4.459 1.00 . A A . 19 ALA N 1 1 3 1944 1 1 19 ALA O O 5.506 4.792 5.006 1.00 . A A . 19 ALA O 1 1 3 1945 1 1 20 ARG C C 2.510 4.510 2.364 1.00 . A A . 20 ARG C 1 1 3 1946 1 1 20 ARG CA C 3.053 4.917 3.727 1.00 . A A . 20 ARG CA 1 1 3 1947 1 1 20 ARG CB C 1.919 5.474 4.584 1.00 . A A . 20 ARG CB 1 1 3 1948 1 1 20 ARG CD C 1.829 6.987 6.597 1.00 . A A . 20 ARG CD 1 1 3 1949 1 1 20 ARG CG C 2.289 5.644 6.050 1.00 . A A . 20 ARG CG 1 1 3 1950 1 1 20 ARG CZ C 0.405 7.776 8.446 1.00 . A A . 20 ARG CZ 1 1 3 1951 1 1 20 ARG H H 4.024 6.652 2.990 1.00 . A A . 20 ARG H 1 1 3 1952 1 1 20 ARG HA H 3.457 4.040 4.211 1.00 . A A . 20 ARG HA 1 1 3 1953 1 1 20 ARG HB2 H 1.625 6.433 4.188 1.00 . A A . 20 ARG HB2 1 1 3 1954 1 1 20 ARG HB3 H 1.078 4.797 4.526 1.00 . A A . 20 ARG HB3 1 1 3 1955 1 1 20 ARG HD2 H 2.666 7.472 7.077 1.00 . A A . 20 ARG HD2 1 1 3 1956 1 1 20 ARG HD3 H 1.483 7.597 5.776 1.00 . A A . 20 ARG HD3 1 1 3 1957 1 1 20 ARG HE H 0.252 5.992 7.564 1.00 . A A . 20 ARG HE 1 1 3 1958 1 1 20 ARG HG2 H 1.818 4.858 6.620 1.00 . A A . 20 ARG HG2 1 1 3 1959 1 1 20 ARG HG3 H 3.361 5.570 6.153 1.00 . A A . 20 ARG HG3 1 1 3 1960 1 1 20 ARG HH11 H 1.794 9.110 7.830 1.00 . A A . 20 ARG HH11 1 1 3 1961 1 1 20 ARG HH12 H 0.786 9.638 9.136 1.00 . A A . 20 ARG HH12 1 1 3 1962 1 1 20 ARG HH21 H -1.075 6.683 9.282 1.00 . A A . 20 ARG HH21 1 1 3 1963 1 1 20 ARG HH22 H -0.844 8.260 9.960 1.00 . A A . 20 ARG HH22 1 1 3 1964 1 1 20 ARG N N 4.139 5.882 3.587 1.00 . A A . 20 ARG N 1 1 3 1965 1 1 20 ARG NE N 0.747 6.838 7.566 1.00 . A A . 20 ARG NE 1 1 3 1966 1 1 20 ARG NH1 N 1.048 8.937 8.472 1.00 . A A . 20 ARG NH1 1 1 3 1967 1 1 20 ARG NH2 N -0.587 7.555 9.299 1.00 . A A . 20 ARG NH2 1 1 3 1968 1 1 20 ARG O O 2.781 5.155 1.349 1.00 . A A . 20 ARG O 1 1 3 1969 1 1 21 TYR C C -0.204 2.320 1.331 1.00 . A A . 21 TYR C 1 1 3 1970 1 1 21 TYR CA C 1.188 2.905 1.110 1.00 . A A . 21 TYR CA 1 1 3 1971 1 1 21 TYR CB C 2.105 1.836 0.515 1.00 . A A . 21 TYR CB 1 1 3 1972 1 1 21 TYR CD1 C 4.297 2.340 1.668 1.00 . A A . 21 TYR CD1 1 1 3 1973 1 1 21 TYR CD2 C 4.222 2.460 -0.708 1.00 . A A . 21 TYR CD2 1 1 3 1974 1 1 21 TYR CE1 C 5.634 2.682 1.647 1.00 . A A . 21 TYR CE1 1 1 3 1975 1 1 21 TYR CE2 C 5.559 2.800 -0.738 1.00 . A A . 21 TYR CE2 1 1 3 1976 1 1 21 TYR CG C 3.568 2.224 0.492 1.00 . A A . 21 TYR CG 1 1 3 1977 1 1 21 TYR CZ C 6.260 2.910 0.442 1.00 . A A . 21 TYR CZ 1 1 3 1978 1 1 21 TYR H H 1.592 2.947 3.188 1.00 . A A . 21 TYR H 1 1 3 1979 1 1 21 TYR HA H 1.113 3.726 0.414 1.00 . A A . 21 TYR HA 1 1 3 1980 1 1 21 TYR HB2 H 2.013 0.931 1.097 1.00 . A A . 21 TYR HB2 1 1 3 1981 1 1 21 TYR HB3 H 1.797 1.636 -0.500 1.00 . A A . 21 TYR HB3 1 1 3 1982 1 1 21 TYR HD1 H 3.803 2.160 2.612 1.00 . A A . 21 TYR HD1 1 1 3 1983 1 1 21 TYR HD2 H 3.669 2.374 -1.633 1.00 . A A . 21 TYR HD2 1 1 3 1984 1 1 21 TYR HE1 H 6.184 2.770 2.573 1.00 . A A . 21 TYR HE1 1 1 3 1985 1 1 21 TYR HE2 H 6.049 2.980 -1.684 1.00 . A A . 21 TYR HE2 1 1 3 1986 1 1 21 TYR HH H 8.080 2.590 -0.086 1.00 . A A . 21 TYR HH 1 1 3 1987 1 1 21 TYR N N 1.759 3.420 2.348 1.00 . A A . 21 TYR N 1 1 3 1988 1 1 21 TYR O O -0.701 2.270 2.455 1.00 . A A . 21 TYR O 1 1 3 1989 1 1 21 TYR OH O 7.593 3.248 0.415 1.00 . A A . 21 TYR OH 1 1 3 1990 1 1 22 PHE C C -2.275 0.214 -0.817 1.00 . A A . 22 PHE C 1 1 3 1991 1 1 22 PHE CA C -2.144 1.255 0.284 1.00 . A A . 22 PHE CA 1 1 3 1992 1 1 22 PHE CB C -3.234 2.309 0.140 1.00 . A A . 22 PHE CB 1 1 3 1993 1 1 22 PHE CD1 C -3.341 2.879 -2.300 1.00 . A A . 22 PHE CD1 1 1 3 1994 1 1 22 PHE CD2 C -2.512 4.523 -0.791 1.00 . A A . 22 PHE CD2 1 1 3 1995 1 1 22 PHE CE1 C -3.155 3.749 -3.356 1.00 . A A . 22 PHE CE1 1 1 3 1996 1 1 22 PHE CE2 C -2.323 5.398 -1.842 1.00 . A A . 22 PHE CE2 1 1 3 1997 1 1 22 PHE CG C -3.022 3.256 -1.008 1.00 . A A . 22 PHE CG 1 1 3 1998 1 1 22 PHE CZ C -2.645 5.010 -3.126 1.00 . A A . 22 PHE CZ 1 1 3 1999 1 1 22 PHE H H -0.353 1.930 -0.621 1.00 . A A . 22 PHE H 1 1 3 2000 1 1 22 PHE HA H -2.257 0.763 1.240 1.00 . A A . 22 PHE HA 1 1 3 2001 1 1 22 PHE HB2 H -4.176 1.811 -0.012 1.00 . A A . 22 PHE HB2 1 1 3 2002 1 1 22 PHE HB3 H -3.284 2.885 1.047 1.00 . A A . 22 PHE HB3 1 1 3 2003 1 1 22 PHE HD1 H -3.740 1.892 -2.481 1.00 . A A . 22 PHE HD1 1 1 3 2004 1 1 22 PHE HD2 H -2.259 4.829 0.213 1.00 . A A . 22 PHE HD2 1 1 3 2005 1 1 22 PHE HE1 H -3.407 3.443 -4.361 1.00 . A A . 22 PHE HE1 1 1 3 2006 1 1 22 PHE HE2 H -1.924 6.384 -1.660 1.00 . A A . 22 PHE HE2 1 1 3 2007 1 1 22 PHE HZ H -2.498 5.693 -3.950 1.00 . A A . 22 PHE HZ 1 1 3 2008 1 1 22 PHE N N -0.816 1.865 0.241 1.00 . A A . 22 PHE N 1 1 3 2009 1 1 22 PHE O O -1.551 0.259 -1.805 1.00 . A A . 22 PHE O 1 1 3 2010 1 1 23 TYR C C -4.301 -1.323 -2.772 1.00 . A A . 23 TYR C 1 1 3 2011 1 1 23 TYR CA C -3.378 -1.784 -1.647 1.00 . A A . 23 TYR CA 1 1 3 2012 1 1 23 TYR CB C -3.938 -3.059 -1.013 1.00 . A A . 23 TYR CB 1 1 3 2013 1 1 23 TYR CD1 C -2.934 -4.767 -2.582 1.00 . A A . 23 TYR CD1 1 1 3 2014 1 1 23 TYR CD2 C -5.304 -4.712 -2.350 1.00 . A A . 23 TYR CD2 1 1 3 2015 1 1 23 TYR CE1 C -3.044 -5.803 -3.489 1.00 . A A . 23 TYR CE1 1 1 3 2016 1 1 23 TYR CE2 C -5.421 -5.748 -3.254 1.00 . A A . 23 TYR CE2 1 1 3 2017 1 1 23 TYR CG C -4.062 -4.203 -1.997 1.00 . A A . 23 TYR CG 1 1 3 2018 1 1 23 TYR CZ C -4.290 -6.291 -3.821 1.00 . A A . 23 TYR CZ 1 1 3 2019 1 1 23 TYR H H -3.747 -0.722 0.164 1.00 . A A . 23 TYR H 1 1 3 2020 1 1 23 TYR HA H -2.402 -2.013 -2.070 1.00 . A A . 23 TYR HA 1 1 3 2021 1 1 23 TYR HB2 H -3.279 -3.378 -0.215 1.00 . A A . 23 TYR HB2 1 1 3 2022 1 1 23 TYR HB3 H -4.922 -2.855 -0.611 1.00 . A A . 23 TYR HB3 1 1 3 2023 1 1 23 TYR HD1 H -1.960 -4.383 -2.320 1.00 . A A . 23 TYR HD1 1 1 3 2024 1 1 23 TYR HD2 H -6.188 -4.286 -1.907 1.00 . A A . 23 TYR HD2 1 1 3 2025 1 1 23 TYR HE1 H -2.156 -6.228 -3.932 1.00 . A A . 23 TYR HE1 1 1 3 2026 1 1 23 TYR HE2 H -6.399 -6.129 -3.512 1.00 . A A . 23 TYR HE2 1 1 3 2027 1 1 23 TYR HH H -5.260 -7.284 -5.154 1.00 . A A . 23 TYR HH 1 1 3 2028 1 1 23 TYR N N -3.191 -0.730 -0.646 1.00 . A A . 23 TYR N 1 1 3 2029 1 1 23 TYR O O -5.263 -0.592 -2.541 1.00 . A A . 23 TYR O 1 1 3 2030 1 1 23 TYR OH O -4.404 -7.326 -4.721 1.00 . A A . 23 TYR OH 1 1 3 2031 1 1 24 ASN C C -5.445 -2.677 -5.742 1.00 . A A . 24 ASN C 1 1 3 2032 1 1 24 ASN CA C -4.807 -1.425 -5.151 1.00 . A A . 24 ASN CA 1 1 3 2033 1 1 24 ASN CB C -3.933 -0.728 -6.199 1.00 . A A . 24 ASN CB 1 1 3 2034 1 1 24 ASN CG C -4.712 -0.322 -7.430 1.00 . A A . 24 ASN CG 1 1 3 2035 1 1 24 ASN H H -3.232 -2.363 -4.099 1.00 . A A . 24 ASN H 1 1 3 2036 1 1 24 ASN HA H -5.588 -0.747 -4.836 1.00 . A A . 24 ASN HA 1 1 3 2037 1 1 24 ASN HB2 H -3.500 0.163 -5.764 1.00 . A A . 24 ASN HB2 1 1 3 2038 1 1 24 ASN HB3 H -3.143 -1.396 -6.507 1.00 . A A . 24 ASN HB3 1 1 3 2039 1 1 24 ASN HD21 H -3.541 1.268 -7.661 1.00 . A A . 24 ASN HD21 1 1 3 2040 1 1 24 ASN HD22 H -4.791 1.065 -8.843 1.00 . A A . 24 ASN HD22 1 1 3 2041 1 1 24 ASN N N -4.007 -1.773 -3.985 1.00 . A A . 24 ASN N 1 1 3 2042 1 1 24 ASN ND2 N -4.310 0.782 -8.039 1.00 . A A . 24 ASN ND2 1 1 3 2043 1 1 24 ASN O O -4.868 -3.328 -6.608 1.00 . A A . 24 ASN O 1 1 3 2044 1 1 24 ASN OD1 O -5.658 -0.999 -7.834 1.00 . A A . 24 ASN OD1 1 1 3 2045 1 1 25 ALA C C -7.482 -4.192 -7.262 1.00 . A A . 25 ALA C 1 1 3 2046 1 1 25 ALA CA C -7.355 -4.192 -5.740 1.00 . A A . 25 ALA CA 1 1 3 2047 1 1 25 ALA CB C -8.733 -4.268 -5.096 1.00 . A A . 25 ALA CB 1 1 3 2048 1 1 25 ALA H H -7.051 -2.453 -4.570 1.00 . A A . 25 ALA H 1 1 3 2049 1 1 25 ALA HA H -6.794 -5.063 -5.435 1.00 . A A . 25 ALA HA 1 1 3 2050 1 1 25 ALA HB1 H -9.186 -3.288 -5.098 1.00 . A A . 25 ALA HB1 1 1 3 2051 1 1 25 ALA HB2 H -8.637 -4.619 -4.078 1.00 . A A . 25 ALA HB2 1 1 3 2052 1 1 25 ALA HB3 H -9.354 -4.952 -5.655 1.00 . A A . 25 ALA HB3 1 1 3 2053 1 1 25 ALA N N -6.641 -3.010 -5.264 1.00 . A A . 25 ALA N 1 1 3 2054 1 1 25 ALA O O -7.625 -5.246 -7.882 1.00 . A A . 25 ALA O 1 1 3 2055 1 1 26 LYS C C -6.190 -3.079 -10.009 1.00 . A A . 26 LYS C 1 1 3 2056 1 1 26 LYS CA C -7.537 -2.868 -9.308 1.00 . A A . 26 LYS CA 1 1 3 2057 1 1 26 LYS CB C -8.099 -1.487 -9.660 1.00 . A A . 26 LYS CB 1 1 3 2058 1 1 26 LYS CD C -10.569 -1.007 -9.613 1.00 . A A . 26 LYS CD 1 1 3 2059 1 1 26 LYS CE C -11.906 -1.437 -10.192 1.00 . A A . 26 LYS CE 1 1 3 2060 1 1 26 LYS CG C -9.407 -1.544 -10.434 1.00 . A A . 26 LYS CG 1 1 3 2061 1 1 26 LYS H H -7.308 -2.201 -7.312 1.00 . A A . 26 LYS H 1 1 3 2062 1 1 26 LYS HA H -8.229 -3.620 -9.657 1.00 . A A . 26 LYS HA 1 1 3 2063 1 1 26 LYS HB2 H -8.268 -0.937 -8.746 1.00 . A A . 26 LYS HB2 1 1 3 2064 1 1 26 LYS HB3 H -7.373 -0.956 -10.259 1.00 . A A . 26 LYS HB3 1 1 3 2065 1 1 26 LYS HD2 H -10.487 -1.383 -8.604 1.00 . A A . 26 LYS HD2 1 1 3 2066 1 1 26 LYS HD3 H -10.521 0.073 -9.602 1.00 . A A . 26 LYS HD3 1 1 3 2067 1 1 26 LYS HE2 H -12.585 -0.598 -10.161 1.00 . A A . 26 LYS HE2 1 1 3 2068 1 1 26 LYS HE3 H -11.760 -1.742 -11.218 1.00 . A A . 26 LYS HE3 1 1 3 2069 1 1 26 LYS HG2 H -9.309 -0.949 -11.330 1.00 . A A . 26 LYS HG2 1 1 3 2070 1 1 26 LYS HG3 H -9.611 -2.570 -10.702 1.00 . A A . 26 LYS HG3 1 1 3 2071 1 1 26 LYS HZ1 H -13.541 -2.508 -9.452 1.00 . A A . 26 LYS HZ1 1 1 3 2072 1 1 26 LYS HZ2 H -12.185 -2.542 -8.442 1.00 . A A . 26 LYS HZ2 1 1 3 2073 1 1 26 LYS HZ3 H -12.211 -3.476 -9.852 1.00 . A A . 26 LYS HZ3 1 1 3 2074 1 1 26 LYS N N -7.425 -3.006 -7.858 1.00 . A A . 26 LYS N 1 1 3 2075 1 1 26 LYS NZ N -12.502 -2.570 -9.431 1.00 . A A . 26 LYS NZ 1 1 3 2076 1 1 26 LYS O O -6.122 -3.061 -11.237 1.00 . A A . 26 LYS O 1 1 3 2077 1 1 27 ALA C C -3.002 -4.578 -9.105 1.00 . A A . 27 ALA C 1 1 3 2078 1 1 27 ALA CA C -3.794 -3.477 -9.820 1.00 . A A . 27 ALA CA 1 1 3 2079 1 1 27 ALA CB C -3.004 -2.176 -9.815 1.00 . A A . 27 ALA CB 1 1 3 2080 1 1 27 ALA H H -5.224 -3.266 -8.260 1.00 . A A . 27 ALA H 1 1 3 2081 1 1 27 ALA HA H -3.934 -3.772 -10.849 1.00 . A A . 27 ALA HA 1 1 3 2082 1 1 27 ALA HB1 H -3.426 -1.502 -9.088 1.00 . A A . 27 ALA HB1 1 1 3 2083 1 1 27 ALA HB2 H -3.050 -1.724 -10.795 1.00 . A A . 27 ALA HB2 1 1 3 2084 1 1 27 ALA HB3 H -1.974 -2.381 -9.562 1.00 . A A . 27 ALA HB3 1 1 3 2085 1 1 27 ALA N N -5.121 -3.271 -9.234 1.00 . A A . 27 ALA N 1 1 3 2086 1 1 27 ALA O O -1.890 -4.909 -9.514 1.00 . A A . 27 ALA O 1 1 3 2087 1 1 28 GLY C C -1.698 -5.794 -6.540 1.00 . A A . 28 GLY C 1 1 3 2088 1 1 28 GLY CA C -2.920 -6.223 -7.336 1.00 . A A . 28 GLY CA 1 1 3 2089 1 1 28 GLY H H -4.465 -4.878 -7.781 1.00 . A A . 28 GLY H 1 1 3 2090 1 1 28 GLY HA2 H -3.630 -6.672 -6.659 1.00 . A A . 28 GLY HA2 1 1 3 2091 1 1 28 GLY HA3 H -2.622 -6.954 -8.052 1.00 . A A . 28 GLY HA3 1 1 3 2092 1 1 28 GLY N N -3.580 -5.156 -8.055 1.00 . A A . 28 GLY N 1 1 3 2093 1 1 28 GLY O O -1.092 -6.612 -5.848 1.00 . A A . 28 GLY O 1 1 3 2094 1 1 29 LEU C C -0.505 -2.790 -5.081 1.00 . A A . 29 LEU C 1 1 3 2095 1 1 29 LEU CA C -0.158 -4.024 -5.910 1.00 . A A . 29 LEU CA 1 1 3 2096 1 1 29 LEU CB C 0.973 -3.702 -6.889 1.00 . A A . 29 LEU CB 1 1 3 2097 1 1 29 LEU CD1 C 2.273 -5.168 -8.462 1.00 . A A . 29 LEU CD1 1 1 3 2098 1 1 29 LEU CD2 C 3.351 -4.318 -6.371 1.00 . A A . 29 LEU CD2 1 1 3 2099 1 1 29 LEU CG C 2.050 -4.786 -7.006 1.00 . A A . 29 LEU CG 1 1 3 2100 1 1 29 LEU H H -1.837 -3.921 -7.201 1.00 . A A . 29 LEU H 1 1 3 2101 1 1 29 LEU HA H 0.171 -4.806 -5.243 1.00 . A A . 29 LEU HA 1 1 3 2102 1 1 29 LEU HB2 H 0.540 -3.545 -7.866 1.00 . A A . 29 LEU HB2 1 1 3 2103 1 1 29 LEU HB3 H 1.447 -2.785 -6.572 1.00 . A A . 29 LEU HB3 1 1 3 2104 1 1 29 LEU HD11 H 2.605 -6.194 -8.518 1.00 . A A . 29 LEU HD11 1 1 3 2105 1 1 29 LEU HD12 H 3.025 -4.522 -8.892 1.00 . A A . 29 LEU HD12 1 1 3 2106 1 1 29 LEU HD13 H 1.349 -5.057 -9.008 1.00 . A A . 29 LEU HD13 1 1 3 2107 1 1 29 LEU HD21 H 3.738 -3.474 -6.923 1.00 . A A . 29 LEU HD21 1 1 3 2108 1 1 29 LEU HD22 H 4.072 -5.121 -6.392 1.00 . A A . 29 LEU HD22 1 1 3 2109 1 1 29 LEU HD23 H 3.168 -4.025 -5.348 1.00 . A A . 29 LEU HD23 1 1 3 2110 1 1 29 LEU HG H 1.720 -5.669 -6.479 1.00 . A A . 29 LEU HG 1 1 3 2111 1 1 29 LEU N N -1.325 -4.527 -6.634 1.00 . A A . 29 LEU N 1 1 3 2112 1 1 29 LEU O O -1.629 -2.292 -5.133 1.00 . A A . 29 LEU O 1 1 3 2113 1 1 30 CYS C C 0.843 0.126 -4.107 1.00 . A A . 30 CYS C 1 1 3 2114 1 1 30 CYS CA C 0.259 -1.129 -3.472 1.00 . A A . 30 CYS CA 1 1 3 2115 1 1 30 CYS CB C 0.876 -1.322 -2.086 1.00 . A A . 30 CYS CB 1 1 3 2116 1 1 30 CYS H H 1.344 -2.744 -4.310 1.00 . A A . 30 CYS H 1 1 3 2117 1 1 30 CYS HA H -0.805 -0.995 -3.362 1.00 . A A . 30 CYS HA 1 1 3 2118 1 1 30 CYS HB2 H 1.929 -1.089 -2.136 1.00 . A A . 30 CYS HB2 1 1 3 2119 1 1 30 CYS HB3 H 0.399 -0.640 -1.399 1.00 . A A . 30 CYS HB3 1 1 3 2120 1 1 30 CYS N N 0.468 -2.303 -4.312 1.00 . A A . 30 CYS N 1 1 3 2121 1 1 30 CYS O O 1.519 0.067 -5.133 1.00 . A A . 30 CYS O 1 1 3 2122 1 1 30 CYS SG S 0.706 -3.006 -1.407 1.00 . A A . 30 CYS SG 1 1 3 2123 1 1 31 GLN C C 1.290 3.513 -2.789 1.00 . A A . 31 GLN C 1 1 3 2124 1 1 31 GLN CA C 1.056 2.550 -3.953 1.00 . A A . 31 GLN CA 1 1 3 2125 1 1 31 GLN CB C 0.059 3.156 -4.945 1.00 . A A . 31 GLN CB 1 1 3 2126 1 1 31 GLN CD C 0.418 2.717 -7.407 1.00 . A A . 31 GLN CD 1 1 3 2127 1 1 31 GLN CG C 0.704 3.638 -6.235 1.00 . A A . 31 GLN CG 1 1 3 2128 1 1 31 GLN H H 0.031 1.227 -2.659 1.00 . A A . 31 GLN H 1 1 3 2129 1 1 31 GLN HA H 1.992 2.381 -4.458 1.00 . A A . 31 GLN HA 1 1 3 2130 1 1 31 GLN HB2 H -0.681 2.410 -5.195 1.00 . A A . 31 GLN HB2 1 1 3 2131 1 1 31 GLN HB3 H -0.433 3.997 -4.478 1.00 . A A . 31 GLN HB3 1 1 3 2132 1 1 31 GLN HE21 H -1.527 2.764 -7.000 1.00 . A A . 31 GLN HE21 1 1 3 2133 1 1 31 GLN HE22 H -1.068 1.802 -8.360 1.00 . A A . 31 GLN HE22 1 1 3 2134 1 1 31 GLN HG2 H 0.322 4.620 -6.468 1.00 . A A . 31 GLN HG2 1 1 3 2135 1 1 31 GLN HG3 H 1.773 3.693 -6.089 1.00 . A A . 31 GLN HG3 1 1 3 2136 1 1 31 GLN N N 0.569 1.261 -3.475 1.00 . A A . 31 GLN N 1 1 3 2137 1 1 31 GLN NE2 N -0.854 2.395 -7.610 1.00 . A A . 31 GLN NE2 1 1 3 2138 1 1 31 GLN O O 0.625 3.424 -1.756 1.00 . A A . 31 GLN O 1 1 3 2139 1 1 31 GLN OE1 O 1.330 2.301 -8.123 1.00 . A A . 31 GLN OE1 1 1 3 2140 1 1 32 THR C C 1.463 6.529 -1.921 1.00 . A A . 32 THR C 1 1 3 2141 1 1 32 THR CA C 2.523 5.431 -1.935 1.00 . A A . 32 THR CA 1 1 3 2142 1 1 32 THR CB C 3.916 6.035 -2.155 1.00 . A A . 32 THR CB 1 1 3 2143 1 1 32 THR CG2 C 3.938 7.158 -3.174 1.00 . A A . 32 THR CG2 1 1 3 2144 1 1 32 THR H H 2.717 4.471 -3.814 1.00 . A A . 32 THR H 1 1 3 2145 1 1 32 THR HA H 2.502 4.931 -0.982 1.00 . A A . 32 THR HA 1 1 3 2146 1 1 32 THR HB H 4.580 5.259 -2.506 1.00 . A A . 32 THR HB 1 1 3 2147 1 1 32 THR HG1 H 3.738 6.977 -0.444 1.00 . A A . 32 THR HG1 1 1 3 2148 1 1 32 THR HG21 H 3.344 7.986 -2.811 1.00 . A A . 32 THR HG21 1 1 3 2149 1 1 32 THR HG22 H 3.528 6.804 -4.108 1.00 . A A . 32 THR HG22 1 1 3 2150 1 1 32 THR HG23 H 4.955 7.485 -3.329 1.00 . A A . 32 THR HG23 1 1 3 2151 1 1 32 THR N N 2.227 4.440 -2.966 1.00 . A A . 32 THR N 1 1 3 2152 1 1 32 THR O O 0.896 6.873 -2.958 1.00 . A A . 32 THR O 1 1 3 2153 1 1 32 THR OG1 O 4.440 6.550 -0.942 1.00 . A A . 32 THR OG1 1 1 3 2154 1 1 33 PHE C C 0.684 9.425 -1.327 1.00 . A A . 33 PHE C 1 1 3 2155 1 1 33 PHE CA C 0.231 8.160 -0.600 1.00 . A A . 33 PHE CA 1 1 3 2156 1 1 33 PHE CB C -0.004 8.467 0.882 1.00 . A A . 33 PHE CB 1 1 3 2157 1 1 33 PHE CD1 C -2.406 7.895 1.341 1.00 . A A . 33 PHE CD1 1 1 3 2158 1 1 33 PHE CD2 C -0.709 6.480 2.235 1.00 . A A . 33 PHE CD2 1 1 3 2159 1 1 33 PHE CE1 C -3.376 7.086 1.897 1.00 . A A . 33 PHE CE1 1 1 3 2160 1 1 33 PHE CE2 C -1.676 5.670 2.795 1.00 . A A . 33 PHE CE2 1 1 3 2161 1 1 33 PHE CG C -1.060 7.601 1.503 1.00 . A A . 33 PHE CG 1 1 3 2162 1 1 33 PHE CZ C -3.012 5.973 2.625 1.00 . A A . 33 PHE CZ 1 1 3 2163 1 1 33 PHE H H 1.711 6.789 0.046 1.00 . A A . 33 PHE H 1 1 3 2164 1 1 33 PHE HA H -0.700 7.810 -1.034 1.00 . A A . 33 PHE HA 1 1 3 2165 1 1 33 PHE HB2 H 0.915 8.314 1.427 1.00 . A A . 33 PHE HB2 1 1 3 2166 1 1 33 PHE HB3 H -0.313 9.497 0.985 1.00 . A A . 33 PHE HB3 1 1 3 2167 1 1 33 PHE HD1 H -2.694 8.765 0.769 1.00 . A A . 33 PHE HD1 1 1 3 2168 1 1 33 PHE HD2 H 0.336 6.242 2.370 1.00 . A A . 33 PHE HD2 1 1 3 2169 1 1 33 PHE HE1 H -4.419 7.326 1.763 1.00 . A A . 33 PHE HE1 1 1 3 2170 1 1 33 PHE HE2 H -1.389 4.799 3.365 1.00 . A A . 33 PHE HE2 1 1 3 2171 1 1 33 PHE HZ H -3.770 5.340 3.060 1.00 . A A . 33 PHE HZ 1 1 3 2172 1 1 33 PHE N N 1.216 7.093 -0.744 1.00 . A A . 33 PHE N 1 1 3 2173 1 1 33 PHE O O 1.646 10.075 -0.916 1.00 . A A . 33 PHE O 1 1 3 2174 1 1 34 ALA C C -0.056 12.236 -2.406 1.00 . A A . 34 ALA C 1 1 3 2175 1 1 34 ALA CA C 0.318 10.971 -3.172 1.00 . A A . 34 ALA CA 1 1 3 2176 1 1 34 ALA CB C -0.388 10.944 -4.519 1.00 . A A . 34 ALA CB 1 1 3 2177 1 1 34 ALA H H -0.779 9.226 -2.678 1.00 . A A . 34 ALA H 1 1 3 2178 1 1 34 ALA HA H 1.384 10.967 -3.348 1.00 . A A . 34 ALA HA 1 1 3 2179 1 1 34 ALA HB1 H -0.460 11.948 -4.907 1.00 . A A . 34 ALA HB1 1 1 3 2180 1 1 34 ALA HB2 H -1.381 10.534 -4.397 1.00 . A A . 34 ALA HB2 1 1 3 2181 1 1 34 ALA HB3 H 0.173 10.330 -5.207 1.00 . A A . 34 ALA HB3 1 1 3 2182 1 1 34 ALA N N -0.017 9.778 -2.401 1.00 . A A . 34 ALA N 1 1 3 2183 1 1 34 ALA O O -0.900 12.199 -1.510 1.00 . A A . 34 ALA O 1 1 3 2184 1 1 35 TYR C C -1.116 15.104 -2.350 1.00 . A A . 35 TYR C 1 1 3 2185 1 1 35 TYR CA C 0.316 14.637 -2.106 1.00 . A A . 35 TYR CA 1 1 3 2186 1 1 35 TYR CB C 1.303 15.698 -2.596 1.00 . A A . 35 TYR CB 1 1 3 2187 1 1 35 TYR CD1 C 0.679 17.636 -1.107 1.00 . A A . 35 TYR CD1 1 1 3 2188 1 1 35 TYR CD2 C 2.907 16.796 -0.986 1.00 . A A . 35 TYR CD2 1 1 3 2189 1 1 35 TYR CE1 C 0.977 18.575 -0.138 1.00 . A A . 35 TYR CE1 1 1 3 2190 1 1 35 TYR CE2 C 3.212 17.734 -0.019 1.00 . A A . 35 TYR CE2 1 1 3 2191 1 1 35 TYR CG C 1.637 16.732 -1.546 1.00 . A A . 35 TYR CG 1 1 3 2192 1 1 35 TYR CZ C 2.244 18.620 0.402 1.00 . A A . 35 TYR CZ 1 1 3 2193 1 1 35 TYR H H 1.240 13.317 -3.485 1.00 . A A . 35 TYR H 1 1 3 2194 1 1 35 TYR HA H 0.457 14.496 -1.041 1.00 . A A . 35 TYR HA 1 1 3 2195 1 1 35 TYR HB2 H 2.222 15.217 -2.892 1.00 . A A . 35 TYR HB2 1 1 3 2196 1 1 35 TYR HB3 H 0.878 16.211 -3.446 1.00 . A A . 35 TYR HB3 1 1 3 2197 1 1 35 TYR HD1 H -0.312 17.599 -1.532 1.00 . A A . 35 TYR HD1 1 1 3 2198 1 1 35 TYR HD2 H 3.663 16.102 -1.318 1.00 . A A . 35 TYR HD2 1 1 3 2199 1 1 35 TYR HE1 H 0.217 19.270 0.191 1.00 . A A . 35 TYR HE1 1 1 3 2200 1 1 35 TYR HE2 H 4.205 17.769 0.406 1.00 . A A . 35 TYR HE2 1 1 3 2201 1 1 35 TYR HH H 2.348 19.190 2.236 1.00 . A A . 35 TYR HH 1 1 3 2202 1 1 35 TYR N N 0.578 13.354 -2.763 1.00 . A A . 35 TYR N 1 1 3 2203 1 1 35 TYR O O -1.353 16.121 -3.003 1.00 . A A . 35 TYR O 1 1 3 2204 1 1 35 TYR OH O 2.542 19.553 1.369 1.00 . A A . 35 TYR OH 1 1 3 2205 1 1 36 GLY C C -4.325 13.521 -1.460 1.00 . A A . 36 GLY C 1 1 3 2206 1 1 36 GLY CA C -3.450 14.644 -1.977 1.00 . A A . 36 GLY CA 1 1 3 2207 1 1 36 GLY H H -1.812 13.557 -1.334 1.00 . A A . 36 GLY H 1 1 3 2208 1 1 36 GLY HA2 H -3.684 15.557 -1.452 1.00 . A A . 36 GLY HA2 1 1 3 2209 1 1 36 GLY HA3 H -3.638 14.773 -3.014 1.00 . A A . 36 GLY HA3 1 1 3 2210 1 1 36 GLY N N -2.062 14.342 -1.823 1.00 . A A . 36 GLY N 1 1 3 2211 1 1 36 GLY O O -5.409 13.758 -0.929 1.00 . A A . 36 GLY O 1 1 3 2212 1 1 37 ALA C C -4.693 11.108 0.359 1.00 . A A . 37 ALA C 1 1 3 2213 1 1 37 ALA CA C -4.577 11.118 -1.158 1.00 . A A . 37 ALA CA 1 1 3 2214 1 1 37 ALA CB C -3.909 9.842 -1.653 1.00 . A A . 37 ALA CB 1 1 3 2215 1 1 37 ALA H H -2.968 12.169 -2.043 1.00 . A A . 37 ALA H 1 1 3 2216 1 1 37 ALA HA H -5.567 11.162 -1.578 1.00 . A A . 37 ALA HA 1 1 3 2217 1 1 37 ALA HB1 H -3.721 9.923 -2.714 1.00 . A A . 37 ALA HB1 1 1 3 2218 1 1 37 ALA HB2 H -4.560 9.000 -1.467 1.00 . A A . 37 ALA HB2 1 1 3 2219 1 1 37 ALA HB3 H -2.975 9.698 -1.132 1.00 . A A . 37 ALA HB3 1 1 3 2220 1 1 37 ALA N N -3.844 12.290 -1.616 1.00 . A A . 37 ALA N 1 1 3 2221 1 1 37 ALA O O -3.690 11.166 1.070 1.00 . A A . 37 ALA O 1 1 3 2222 1 1 38 CYS C C -5.981 9.613 2.843 1.00 . A A . 38 CYS C 1 1 3 2223 1 1 38 CYS CA C -6.171 11.017 2.284 1.00 . A A . 38 CYS CA 1 1 3 2224 1 1 38 CYS CB C -7.586 11.514 2.589 1.00 . A A . 38 CYS CB 1 1 3 2225 1 1 38 CYS H H -6.685 10.990 0.232 1.00 . A A . 38 CYS H 1 1 3 2226 1 1 38 CYS HA H -5.457 11.679 2.752 1.00 . A A . 38 CYS HA 1 1 3 2227 1 1 38 CYS HB2 H -8.183 11.457 1.691 1.00 . A A . 38 CYS HB2 1 1 3 2228 1 1 38 CYS HB3 H -8.023 10.881 3.348 1.00 . A A . 38 CYS HB3 1 1 3 2229 1 1 38 CYS N N -5.924 11.034 0.849 1.00 . A A . 38 CYS N 1 1 3 2230 1 1 38 CYS O O -6.138 8.624 2.129 1.00 . A A . 38 CYS O 1 1 3 2231 1 1 38 CYS SG S -7.655 13.233 3.195 1.00 . A A . 38 CYS SG 1 1 3 2232 1 1 39 ALA C C -6.731 7.471 4.909 1.00 . A A . 39 ALA C 1 1 3 2233 1 1 39 ALA CA C -5.428 8.250 4.778 1.00 . A A . 39 ALA CA 1 1 3 2234 1 1 39 ALA CB C -4.792 8.454 6.145 1.00 . A A . 39 ALA CB 1 1 3 2235 1 1 39 ALA H H -5.538 10.360 4.641 1.00 . A A . 39 ALA H 1 1 3 2236 1 1 39 ALA HA H -4.743 7.678 4.171 1.00 . A A . 39 ALA HA 1 1 3 2237 1 1 39 ALA HB1 H -5.560 8.457 6.904 1.00 . A A . 39 ALA HB1 1 1 3 2238 1 1 39 ALA HB2 H -4.265 9.397 6.160 1.00 . A A . 39 ALA HB2 1 1 3 2239 1 1 39 ALA HB3 H -4.096 7.651 6.341 1.00 . A A . 39 ALA HB3 1 1 3 2240 1 1 39 ALA N N -5.644 9.534 4.124 1.00 . A A . 39 ALA N 1 1 3 2241 1 1 39 ALA O O -7.671 7.917 5.566 1.00 . A A . 39 ALA O 1 1 3 2242 1 1 40 ALA C C -8.112 4.809 5.698 1.00 . A A . 40 ALA C 1 1 3 2243 1 1 40 ALA CA C -7.961 5.455 4.326 1.00 . A A . 40 ALA CA 1 1 3 2244 1 1 40 ALA CB C -7.893 4.387 3.243 1.00 . A A . 40 ALA CB 1 1 3 2245 1 1 40 ALA H H -5.994 6.001 3.772 1.00 . A A . 40 ALA H 1 1 3 2246 1 1 40 ALA HA H -8.823 6.075 4.135 1.00 . A A . 40 ALA HA 1 1 3 2247 1 1 40 ALA HB1 H -7.540 3.461 3.672 1.00 . A A . 40 ALA HB1 1 1 3 2248 1 1 40 ALA HB2 H -7.215 4.706 2.465 1.00 . A A . 40 ALA HB2 1 1 3 2249 1 1 40 ALA HB3 H -8.878 4.238 2.823 1.00 . A A . 40 ALA HB3 1 1 3 2250 1 1 40 ALA N N -6.777 6.301 4.278 1.00 . A A . 40 ALA N 1 1 3 2251 1 1 40 ALA O O -7.194 4.848 6.517 1.00 . A A . 40 ALA O 1 1 3 2252 1 1 41 LYS C C -8.558 2.423 7.470 1.00 . A A . 41 LYS C 1 1 3 2253 1 1 41 LYS CA C -9.540 3.566 7.221 1.00 . A A . 41 LYS CA 1 1 3 2254 1 1 41 LYS CB C -10.979 3.044 7.267 1.00 . A A . 41 LYS CB 1 1 3 2255 1 1 41 LYS CD C -13.228 3.109 8.382 1.00 . A A . 41 LYS CD 1 1 3 2256 1 1 41 LYS CE C -13.766 2.919 9.791 1.00 . A A . 41 LYS CE 1 1 3 2257 1 1 41 LYS CG C -11.803 3.640 8.396 1.00 . A A . 41 LYS CG 1 1 3 2258 1 1 41 LYS H H -9.969 4.217 5.253 1.00 . A A . 41 LYS H 1 1 3 2259 1 1 41 LYS HA H -9.414 4.306 7.999 1.00 . A A . 41 LYS HA 1 1 3 2260 1 1 41 LYS HB2 H -11.468 3.280 6.333 1.00 . A A . 41 LYS HB2 1 1 3 2261 1 1 41 LYS HB3 H -10.960 1.971 7.393 1.00 . A A . 41 LYS HB3 1 1 3 2262 1 1 41 LYS HD2 H -13.858 3.814 7.860 1.00 . A A . 41 LYS HD2 1 1 3 2263 1 1 41 LYS HD3 H -13.243 2.160 7.869 1.00 . A A . 41 LYS HD3 1 1 3 2264 1 1 41 LYS HE2 H -14.436 2.071 9.795 1.00 . A A . 41 LYS HE2 1 1 3 2265 1 1 41 LYS HE3 H -12.939 2.725 10.456 1.00 . A A . 41 LYS HE3 1 1 3 2266 1 1 41 LYS HG2 H -11.344 3.384 9.338 1.00 . A A . 41 LYS HG2 1 1 3 2267 1 1 41 LYS HG3 H -11.827 4.714 8.283 1.00 . A A . 41 LYS HG3 1 1 3 2268 1 1 41 LYS HZ1 H -14.348 4.920 9.629 1.00 . A A . 41 LYS HZ1 1 1 3 2269 1 1 41 LYS HZ2 H -14.177 4.384 11.222 1.00 . A A . 41 LYS HZ2 1 1 3 2270 1 1 41 LYS HZ3 H -15.525 3.917 10.315 1.00 . A A . 41 LYS HZ3 1 1 3 2271 1 1 41 LYS N N -9.274 4.217 5.944 1.00 . A A . 41 LYS N 1 1 3 2272 1 1 41 LYS NZ N -14.506 4.119 10.273 1.00 . A A . 41 LYS NZ 1 1 3 2273 1 1 41 LYS O O -7.623 2.558 8.257 1.00 . A A . 41 LYS O 1 1 3 2274 1 1 42 ARG C C -6.820 0.081 5.920 1.00 . A A . 42 ARG C 1 1 3 2275 1 1 42 ARG CA C -7.935 0.120 6.963 1.00 . A A . 42 ARG CA 1 1 3 2276 1 1 42 ARG CB C -8.771 -1.159 6.871 1.00 . A A . 42 ARG CB 1 1 3 2277 1 1 42 ARG CD C -8.513 -1.888 9.267 1.00 . A A . 42 ARG CD 1 1 3 2278 1 1 42 ARG CG C -9.491 -1.518 8.162 1.00 . A A . 42 ARG CG 1 1 3 2279 1 1 42 ARG CZ C -8.166 -4.308 9.621 1.00 . A A . 42 ARG CZ 1 1 3 2280 1 1 42 ARG H H -9.554 1.242 6.204 1.00 . A A . 42 ARG H 1 1 3 2281 1 1 42 ARG HA H -7.491 0.172 7.943 1.00 . A A . 42 ARG HA 1 1 3 2282 1 1 42 ARG HB2 H -9.512 -1.036 6.095 1.00 . A A . 42 ARG HB2 1 1 3 2283 1 1 42 ARG HB3 H -8.120 -1.980 6.607 1.00 . A A . 42 ARG HB3 1 1 3 2284 1 1 42 ARG HD2 H -7.761 -1.116 9.338 1.00 . A A . 42 ARG HD2 1 1 3 2285 1 1 42 ARG HD3 H -9.050 -1.949 10.199 1.00 . A A . 42 ARG HD3 1 1 3 2286 1 1 42 ARG HE H -7.132 -3.175 8.345 1.00 . A A . 42 ARG HE 1 1 3 2287 1 1 42 ARG HG2 H -10.077 -0.671 8.483 1.00 . A A . 42 ARG HG2 1 1 3 2288 1 1 42 ARG HG3 H -10.144 -2.360 7.974 1.00 . A A . 42 ARG HG3 1 1 3 2289 1 1 42 ARG HH11 H -9.645 -3.520 10.755 1.00 . A A . 42 ARG HH11 1 1 3 2290 1 1 42 ARG HH12 H -9.362 -5.212 10.977 1.00 . A A . 42 ARG HH12 1 1 3 2291 1 1 42 ARG HH21 H -6.772 -5.396 8.642 1.00 . A A . 42 ARG HH21 1 1 3 2292 1 1 42 ARG HH22 H -7.737 -6.277 9.779 1.00 . A A . 42 ARG HH22 1 1 3 2293 1 1 42 ARG N N -8.787 1.293 6.806 1.00 . A A . 42 ARG N 1 1 3 2294 1 1 42 ARG NE N -7.853 -3.167 9.009 1.00 . A A . 42 ARG NE 1 1 3 2295 1 1 42 ARG NH1 N -9.138 -4.349 10.525 1.00 . A A . 42 ARG NH1 1 1 3 2296 1 1 42 ARG NH2 N -7.504 -5.419 9.323 1.00 . A A . 42 ARG NH2 1 1 3 2297 1 1 42 ARG O O -5.762 -0.503 6.155 1.00 . A A . 42 ARG O 1 1 3 2298 1 1 43 ASN C C -4.986 1.629 3.912 1.00 . A A . 43 ASN C 1 1 3 2299 1 1 43 ASN CA C -6.122 0.637 3.659 1.00 . A A . 43 ASN CA 1 1 3 2300 1 1 43 ASN CB C -6.844 1.000 2.364 1.00 . A A . 43 ASN CB 1 1 3 2301 1 1 43 ASN CG C -6.529 0.029 1.263 1.00 . A A . 43 ASN CG 1 1 3 2302 1 1 43 ASN H H -7.958 1.053 4.592 1.00 . A A . 43 ASN H 1 1 3 2303 1 1 43 ASN HA H -5.715 -0.357 3.579 1.00 . A A . 43 ASN HA 1 1 3 2304 1 1 43 ASN HB2 H -7.911 0.987 2.536 1.00 . A A . 43 ASN HB2 1 1 3 2305 1 1 43 ASN HB3 H -6.545 1.988 2.048 1.00 . A A . 43 ASN HB3 1 1 3 2306 1 1 43 ASN HD21 H -7.643 -1.297 2.224 1.00 . A A . 43 ASN HD21 1 1 3 2307 1 1 43 ASN HD22 H -6.924 -1.844 0.737 1.00 . A A . 43 ASN HD22 1 1 3 2308 1 1 43 ASN N N -7.081 0.654 4.749 1.00 . A A . 43 ASN N 1 1 3 2309 1 1 43 ASN ND2 N -7.084 -1.159 1.418 1.00 . A A . 43 ASN ND2 1 1 3 2310 1 1 43 ASN O O -4.904 2.677 3.271 1.00 . A A . 43 ASN O 1 1 3 2311 1 1 43 ASN OD1 O -5.820 0.331 0.301 1.00 . A A . 43 ASN OD1 1 1 3 2312 1 1 44 ASN C C -1.880 1.371 5.908 1.00 . A A . 44 ASN C 1 1 3 2313 1 1 44 ASN CA C -2.986 2.152 5.196 1.00 . A A . 44 ASN CA 1 1 3 2314 1 1 44 ASN CB C -3.455 3.313 6.077 1.00 . A A . 44 ASN CB 1 1 3 2315 1 1 44 ASN CG C -4.004 2.844 7.409 1.00 . A A . 44 ASN CG 1 1 3 2316 1 1 44 ASN H H -4.236 0.447 5.337 1.00 . A A . 44 ASN H 1 1 3 2317 1 1 44 ASN HA H -2.589 2.553 4.275 1.00 . A A . 44 ASN HA 1 1 3 2318 1 1 44 ASN HB2 H -2.623 3.977 6.265 1.00 . A A . 44 ASN HB2 1 1 3 2319 1 1 44 ASN HB3 H -4.234 3.854 5.559 1.00 . A A . 44 ASN HB3 1 1 3 2320 1 1 44 ASN HD21 H -5.740 2.390 6.557 1.00 . A A . 44 ASN HD21 1 1 3 2321 1 1 44 ASN HD22 H -5.633 2.083 8.254 1.00 . A A . 44 ASN HD22 1 1 3 2322 1 1 44 ASN N N -4.116 1.291 4.857 1.00 . A A . 44 ASN N 1 1 3 2323 1 1 44 ASN ND2 N -5.251 2.394 7.407 1.00 . A A . 44 ASN ND2 1 1 3 2324 1 1 44 ASN O O -1.980 1.093 7.103 1.00 . A A . 44 ASN O 1 1 3 2325 1 1 44 ASN OD1 O -3.314 2.885 8.428 1.00 . A A . 44 ASN OD1 1 1 3 2326 1 1 45 PHE C C 1.508 1.199 5.912 1.00 . A A . 45 PHE C 1 1 3 2327 1 1 45 PHE CA C 0.295 0.289 5.753 1.00 . A A . 45 PHE CA 1 1 3 2328 1 1 45 PHE CB C 0.645 -0.905 4.869 1.00 . A A . 45 PHE CB 1 1 3 2329 1 1 45 PHE CD1 C -0.464 -2.960 5.788 1.00 . A A . 45 PHE CD1 1 1 3 2330 1 1 45 PHE CD2 C -1.428 -1.904 3.879 1.00 . A A . 45 PHE CD2 1 1 3 2331 1 1 45 PHE CE1 C -1.466 -3.913 5.770 1.00 . A A . 45 PHE CE1 1 1 3 2332 1 1 45 PHE CE2 C -2.432 -2.851 3.856 1.00 . A A . 45 PHE CE2 1 1 3 2333 1 1 45 PHE CG C -0.434 -1.947 4.841 1.00 . A A . 45 PHE CG 1 1 3 2334 1 1 45 PHE CZ C -2.451 -3.859 4.802 1.00 . A A . 45 PHE CZ 1 1 3 2335 1 1 45 PHE H H -0.786 1.271 4.229 1.00 . A A . 45 PHE H 1 1 3 2336 1 1 45 PHE HA H -0.007 -0.070 6.729 1.00 . A A . 45 PHE HA 1 1 3 2337 1 1 45 PHE HB2 H 0.805 -0.564 3.855 1.00 . A A . 45 PHE HB2 1 1 3 2338 1 1 45 PHE HB3 H 1.547 -1.366 5.239 1.00 . A A . 45 PHE HB3 1 1 3 2339 1 1 45 PHE HD1 H 0.306 -3.003 6.543 1.00 . A A . 45 PHE HD1 1 1 3 2340 1 1 45 PHE HD2 H -1.412 -1.119 3.137 1.00 . A A . 45 PHE HD2 1 1 3 2341 1 1 45 PHE HE1 H -1.478 -4.699 6.511 1.00 . A A . 45 PHE HE1 1 1 3 2342 1 1 45 PHE HE2 H -3.201 -2.803 3.101 1.00 . A A . 45 PHE HE2 1 1 3 2343 1 1 45 PHE HZ H -3.235 -4.601 4.787 1.00 . A A . 45 PHE HZ 1 1 3 2344 1 1 45 PHE N N -0.822 1.025 5.176 1.00 . A A . 45 PHE N 1 1 3 2345 1 1 45 PHE O O 1.826 1.984 5.019 1.00 . A A . 45 PHE O 1 1 3 2346 1 1 46 LYS C C 4.494 1.595 6.364 1.00 . A A . 46 LYS C 1 1 3 2347 1 1 46 LYS CA C 3.352 1.917 7.328 1.00 . A A . 46 LYS CA 1 1 3 2348 1 1 46 LYS CB C 3.812 1.721 8.775 1.00 . A A . 46 LYS CB 1 1 3 2349 1 1 46 LYS CD C 4.737 2.780 10.862 1.00 . A A . 46 LYS CD 1 1 3 2350 1 1 46 LYS CE C 6.195 3.212 10.880 1.00 . A A . 46 LYS CE 1 1 3 2351 1 1 46 LYS CG C 4.098 3.025 9.503 1.00 . A A . 46 LYS CG 1 1 3 2352 1 1 46 LYS H H 1.870 0.459 7.733 1.00 . A A . 46 LYS H 1 1 3 2353 1 1 46 LYS HA H 3.068 2.950 7.192 1.00 . A A . 46 LYS HA 1 1 3 2354 1 1 46 LYS HB2 H 3.042 1.194 9.318 1.00 . A A . 46 LYS HB2 1 1 3 2355 1 1 46 LYS HB3 H 4.714 1.127 8.779 1.00 . A A . 46 LYS HB3 1 1 3 2356 1 1 46 LYS HD2 H 4.198 3.342 11.609 1.00 . A A . 46 LYS HD2 1 1 3 2357 1 1 46 LYS HD3 H 4.682 1.726 11.091 1.00 . A A . 46 LYS HD3 1 1 3 2358 1 1 46 LYS HE2 H 6.340 3.979 10.133 1.00 . A A . 46 LYS HE2 1 1 3 2359 1 1 46 LYS HE3 H 6.426 3.613 11.855 1.00 . A A . 46 LYS HE3 1 1 3 2360 1 1 46 LYS HG2 H 4.770 3.622 8.903 1.00 . A A . 46 LYS HG2 1 1 3 2361 1 1 46 LYS HG3 H 3.169 3.558 9.643 1.00 . A A . 46 LYS HG3 1 1 3 2362 1 1 46 LYS HZ1 H 8.049 2.259 11.008 1.00 . A A . 46 LYS HZ1 1 1 3 2363 1 1 46 LYS HZ2 H 7.221 1.956 9.564 1.00 . A A . 46 LYS HZ2 1 1 3 2364 1 1 46 LYS HZ3 H 6.731 1.197 10.994 1.00 . A A . 46 LYS HZ3 1 1 3 2365 1 1 46 LYS N N 2.176 1.098 7.056 1.00 . A A . 46 LYS N 1 1 3 2366 1 1 46 LYS NZ N 7.113 2.077 10.591 1.00 . A A . 46 LYS NZ 1 1 3 2367 1 1 46 LYS O O 5.479 2.330 6.294 1.00 . A A . 46 LYS O 1 1 3 2368 1 1 47 SER C C 4.815 -0.753 3.555 1.00 . A A . 47 SER C 1 1 3 2369 1 1 47 SER CA C 5.394 0.094 4.675 1.00 . A A . 47 SER CA 1 1 3 2370 1 1 47 SER CB C 6.498 -0.690 5.383 1.00 . A A . 47 SER CB 1 1 3 2371 1 1 47 SER H H 3.562 -0.058 5.721 1.00 . A A . 47 SER H 1 1 3 2372 1 1 47 SER HA H 5.819 0.990 4.248 1.00 . A A . 47 SER HA 1 1 3 2373 1 1 47 SER HB2 H 6.743 -1.570 4.801 1.00 . A A . 47 SER HB2 1 1 3 2374 1 1 47 SER HB3 H 7.372 -0.068 5.475 1.00 . A A . 47 SER HB3 1 1 3 2375 1 1 47 SER HG H 6.551 -0.588 7.339 1.00 . A A . 47 SER HG 1 1 3 2376 1 1 47 SER N N 4.364 0.495 5.625 1.00 . A A . 47 SER N 1 1 3 2377 1 1 47 SER O O 3.878 -1.525 3.765 1.00 . A A . 47 SER O 1 1 3 2378 1 1 47 SER OG O 6.087 -1.103 6.675 1.00 . A A . 47 SER OG 1 1 3 2379 1 1 48 ALA C C 5.093 -2.875 1.518 1.00 . A A . 48 ALA C 1 1 3 2380 1 1 48 ALA CA C 4.945 -1.398 1.222 1.00 . A A . 48 ALA CA 1 1 3 2381 1 1 48 ALA CB C 5.719 -1.022 -0.033 1.00 . A A . 48 ALA CB 1 1 3 2382 1 1 48 ALA H H 6.151 -0.007 2.269 1.00 . A A . 48 ALA H 1 1 3 2383 1 1 48 ALA HA H 3.894 -1.181 1.065 1.00 . A A . 48 ALA HA 1 1 3 2384 1 1 48 ALA HB1 H 5.076 -0.473 -0.703 1.00 . A A . 48 ALA HB1 1 1 3 2385 1 1 48 ALA HB2 H 6.066 -1.920 -0.523 1.00 . A A . 48 ALA HB2 1 1 3 2386 1 1 48 ALA HB3 H 6.567 -0.411 0.239 1.00 . A A . 48 ALA HB3 1 1 3 2387 1 1 48 ALA N N 5.395 -0.623 2.367 1.00 . A A . 48 ALA N 1 1 3 2388 1 1 48 ALA O O 4.237 -3.677 1.161 1.00 . A A . 48 ALA O 1 1 3 2389 1 1 49 GLU C C 5.219 -5.076 3.415 1.00 . A A . 49 GLU C 1 1 3 2390 1 1 49 GLU CA C 6.397 -4.605 2.582 1.00 . A A . 49 GLU CA 1 1 3 2391 1 1 49 GLU CB C 7.698 -4.749 3.375 1.00 . A A . 49 GLU CB 1 1 3 2392 1 1 49 GLU CD C 10.209 -5.004 3.292 1.00 . A A . 49 GLU CD 1 1 3 2393 1 1 49 GLU CG C 8.913 -5.036 2.507 1.00 . A A . 49 GLU CG 1 1 3 2394 1 1 49 GLU H H 6.809 -2.536 2.491 1.00 . A A . 49 GLU H 1 1 3 2395 1 1 49 GLU HA H 6.454 -5.196 1.680 1.00 . A A . 49 GLU HA 1 1 3 2396 1 1 49 GLU HB2 H 7.880 -3.834 3.918 1.00 . A A . 49 GLU HB2 1 1 3 2397 1 1 49 GLU HB3 H 7.589 -5.560 4.080 1.00 . A A . 49 GLU HB3 1 1 3 2398 1 1 49 GLU HG2 H 8.801 -6.015 2.066 1.00 . A A . 49 GLU HG2 1 1 3 2399 1 1 49 GLU HG3 H 8.964 -4.293 1.724 1.00 . A A . 49 GLU HG3 1 1 3 2400 1 1 49 GLU N N 6.171 -3.224 2.208 1.00 . A A . 49 GLU N 1 1 3 2401 1 1 49 GLU O O 4.755 -6.205 3.278 1.00 . A A . 49 GLU O 1 1 3 2402 1 1 49 GLU OE1 O 10.401 -5.884 4.157 1.00 . A A . 49 GLU OE1 1 1 3 2403 1 1 49 GLU OE2 O 11.031 -4.099 3.043 1.00 . A A . 49 GLU OE2 1 1 3 2404 1 1 50 ASP C C 2.309 -4.647 4.297 1.00 . A A . 50 ASP C 1 1 3 2405 1 1 50 ASP CA C 3.586 -4.466 5.121 1.00 . A A . 50 ASP CA 1 1 3 2406 1 1 50 ASP CB C 3.397 -3.350 6.151 1.00 . A A . 50 ASP CB 1 1 3 2407 1 1 50 ASP CG C 3.352 -3.878 7.572 1.00 . A A . 50 ASP CG 1 1 3 2408 1 1 50 ASP H H 5.144 -3.283 4.312 1.00 . A A . 50 ASP H 1 1 3 2409 1 1 50 ASP HA H 3.794 -5.389 5.643 1.00 . A A . 50 ASP HA 1 1 3 2410 1 1 50 ASP HB2 H 4.218 -2.652 6.073 1.00 . A A . 50 ASP HB2 1 1 3 2411 1 1 50 ASP HB3 H 2.470 -2.835 5.950 1.00 . A A . 50 ASP HB3 1 1 3 2412 1 1 50 ASP N N 4.728 -4.175 4.266 1.00 . A A . 50 ASP N 1 1 3 2413 1 1 50 ASP O O 1.558 -5.601 4.514 1.00 . A A . 50 ASP O 1 1 3 2414 1 1 50 ASP OD1 O 2.700 -4.920 7.799 1.00 . A A . 50 ASP OD1 1 1 3 2415 1 1 50 ASP OD2 O 3.966 -3.249 8.459 1.00 . A A . 50 ASP OD2 1 1 3 2416 1 1 51 CYS C C 0.930 -5.097 1.674 1.00 . A A . 51 CYS C 1 1 3 2417 1 1 51 CYS CA C 0.867 -3.829 2.511 1.00 . A A . 51 CYS CA 1 1 3 2418 1 1 51 CYS CB C 0.762 -2.596 1.604 1.00 . A A . 51 CYS CB 1 1 3 2419 1 1 51 CYS H H 2.690 -2.988 3.199 1.00 . A A . 51 CYS H 1 1 3 2420 1 1 51 CYS HA H 0.002 -3.875 3.158 1.00 . A A . 51 CYS HA 1 1 3 2421 1 1 51 CYS HB2 H 0.472 -1.744 2.203 1.00 . A A . 51 CYS HB2 1 1 3 2422 1 1 51 CYS HB3 H 1.731 -2.406 1.161 1.00 . A A . 51 CYS HB3 1 1 3 2423 1 1 51 CYS N N 2.060 -3.735 3.348 1.00 . A A . 51 CYS N 1 1 3 2424 1 1 51 CYS O O 0.023 -5.926 1.695 1.00 . A A . 51 CYS O 1 1 3 2425 1 1 51 CYS SG S -0.447 -2.750 0.246 1.00 . A A . 51 CYS SG 1 1 3 2426 1 1 52 LEU C C 2.113 -7.699 0.871 1.00 . A A . 52 LEU C 1 1 3 2427 1 1 52 LEU CA C 2.263 -6.388 0.100 1.00 . A A . 52 LEU CA 1 1 3 2428 1 1 52 LEU CB C 3.666 -6.290 -0.497 1.00 . A A . 52 LEU CB 1 1 3 2429 1 1 52 LEU CD1 C 5.209 -5.371 -2.249 1.00 . A A . 52 LEU CD1 1 1 3 2430 1 1 52 LEU CD2 C 2.790 -5.742 -2.782 1.00 . A A . 52 LEU CD2 1 1 3 2431 1 1 52 LEU CG C 3.790 -5.355 -1.701 1.00 . A A . 52 LEU CG 1 1 3 2432 1 1 52 LEU H H 2.712 -4.539 0.998 1.00 . A A . 52 LEU H 1 1 3 2433 1 1 52 LEU HA H 1.539 -6.363 -0.702 1.00 . A A . 52 LEU HA 1 1 3 2434 1 1 52 LEU HB2 H 4.334 -5.935 0.278 1.00 . A A . 52 LEU HB2 1 1 3 2435 1 1 52 LEU HB3 H 3.979 -7.277 -0.799 1.00 . A A . 52 LEU HB3 1 1 3 2436 1 1 52 LEU HD11 H 5.865 -4.849 -1.568 1.00 . A A . 52 LEU HD11 1 1 3 2437 1 1 52 LEU HD12 H 5.228 -4.883 -3.212 1.00 . A A . 52 LEU HD12 1 1 3 2438 1 1 52 LEU HD13 H 5.542 -6.392 -2.358 1.00 . A A . 52 LEU HD13 1 1 3 2439 1 1 52 LEU HD21 H 2.373 -6.712 -2.557 1.00 . A A . 52 LEU HD21 1 1 3 2440 1 1 52 LEU HD22 H 3.290 -5.778 -3.740 1.00 . A A . 52 LEU HD22 1 1 3 2441 1 1 52 LEU HD23 H 1.999 -5.008 -2.818 1.00 . A A . 52 LEU HD23 1 1 3 2442 1 1 52 LEU HG H 3.567 -4.346 -1.384 1.00 . A A . 52 LEU HG 1 1 3 2443 1 1 52 LEU N N 2.029 -5.236 0.952 1.00 . A A . 52 LEU N 1 1 3 2444 1 1 52 LEU O O 1.522 -8.654 0.376 1.00 . A A . 52 LEU O 1 1 3 2445 1 1 53 ARG C C 1.128 -9.328 3.213 1.00 . A A . 53 ARG C 1 1 3 2446 1 1 53 ARG CA C 2.574 -8.954 2.901 1.00 . A A . 53 ARG CA 1 1 3 2447 1 1 53 ARG CB C 3.349 -8.775 4.211 1.00 . A A . 53 ARG CB 1 1 3 2448 1 1 53 ARG CD C 4.370 -10.761 5.363 1.00 . A A . 53 ARG CD 1 1 3 2449 1 1 53 ARG CG C 4.572 -9.671 4.321 1.00 . A A . 53 ARG CG 1 1 3 2450 1 1 53 ARG CZ C 5.472 -12.847 6.070 1.00 . A A . 53 ARG CZ 1 1 3 2451 1 1 53 ARG H H 3.117 -6.957 2.434 1.00 . A A . 53 ARG H 1 1 3 2452 1 1 53 ARG HA H 3.025 -9.758 2.339 1.00 . A A . 53 ARG HA 1 1 3 2453 1 1 53 ARG HB2 H 3.673 -7.749 4.291 1.00 . A A . 53 ARG HB2 1 1 3 2454 1 1 53 ARG HB3 H 2.691 -8.997 5.038 1.00 . A A . 53 ARG HB3 1 1 3 2455 1 1 53 ARG HD2 H 4.517 -10.335 6.344 1.00 . A A . 53 ARG HD2 1 1 3 2456 1 1 53 ARG HD3 H 3.360 -11.136 5.282 1.00 . A A . 53 ARG HD3 1 1 3 2457 1 1 53 ARG HE H 5.834 -11.885 4.359 1.00 . A A . 53 ARG HE 1 1 3 2458 1 1 53 ARG HG2 H 4.755 -10.134 3.363 1.00 . A A . 53 ARG HG2 1 1 3 2459 1 1 53 ARG HG3 H 5.423 -9.070 4.602 1.00 . A A . 53 ARG HG3 1 1 3 2460 1 1 53 ARG HH11 H 4.118 -12.124 7.388 1.00 . A A . 53 ARG HH11 1 1 3 2461 1 1 53 ARG HH12 H 4.901 -13.592 7.860 1.00 . A A . 53 ARG HH12 1 1 3 2462 1 1 53 ARG HH21 H 6.869 -13.816 4.979 1.00 . A A . 53 ARG HH21 1 1 3 2463 1 1 53 ARG HH22 H 6.467 -14.554 6.494 1.00 . A A . 53 ARG HH22 1 1 3 2464 1 1 53 ARG N N 2.652 -7.746 2.085 1.00 . A A . 53 ARG N 1 1 3 2465 1 1 53 ARG NE N 5.304 -11.869 5.184 1.00 . A A . 53 ARG NE 1 1 3 2466 1 1 53 ARG NH1 N 4.773 -12.854 7.199 1.00 . A A . 53 ARG NH1 1 1 3 2467 1 1 53 ARG NH2 N 6.340 -13.819 5.827 1.00 . A A . 53 ARG NH2 1 1 3 2468 1 1 53 ARG O O 0.701 -10.455 2.960 1.00 . A A . 53 ARG O 1 1 3 2469 1 1 54 THR C C -1.947 -8.580 2.961 1.00 . A A . 54 THR C 1 1 3 2470 1 1 54 THR CA C -1.005 -8.635 4.160 1.00 . A A . 54 THR CA 1 1 3 2471 1 1 54 THR CB C -1.454 -7.617 5.209 1.00 . A A . 54 THR CB 1 1 3 2472 1 1 54 THR CG2 C -2.748 -7.997 5.896 1.00 . A A . 54 THR CG2 1 1 3 2473 1 1 54 THR H H 0.786 -7.512 3.980 1.00 . A A . 54 THR H 1 1 3 2474 1 1 54 THR HA H -1.057 -9.622 4.593 1.00 . A A . 54 THR HA 1 1 3 2475 1 1 54 THR HB H -1.604 -6.660 4.728 1.00 . A A . 54 THR HB 1 1 3 2476 1 1 54 THR HG1 H -0.288 -8.313 6.620 1.00 . A A . 54 THR HG1 1 1 3 2477 1 1 54 THR HG21 H -3.487 -8.257 5.154 1.00 . A A . 54 THR HG21 1 1 3 2478 1 1 54 THR HG22 H -3.104 -7.161 6.481 1.00 . A A . 54 THR HG22 1 1 3 2479 1 1 54 THR HG23 H -2.576 -8.843 6.545 1.00 . A A . 54 THR HG23 1 1 3 2480 1 1 54 THR N N 0.385 -8.388 3.786 1.00 . A A . 54 THR N 1 1 3 2481 1 1 54 THR O O -2.770 -9.474 2.768 1.00 . A A . 54 THR O 1 1 3 2482 1 1 54 THR OG1 O -0.466 -7.462 6.212 1.00 . A A . 54 THR OG1 1 1 3 2483 1 1 55 CYS C C -2.181 -7.973 -0.236 1.00 . A A . 55 CYS C 1 1 3 2484 1 1 55 CYS CA C -2.732 -7.328 1.035 1.00 . A A . 55 CYS CA 1 1 3 2485 1 1 55 CYS CB C -2.982 -5.839 0.795 1.00 . A A . 55 CYS CB 1 1 3 2486 1 1 55 CYS H H -1.212 -6.811 2.404 1.00 . A A . 55 CYS H 1 1 3 2487 1 1 55 CYS HA H -3.667 -7.798 1.275 1.00 . A A . 55 CYS HA 1 1 3 2488 1 1 55 CYS HB2 H -2.035 -5.318 0.759 1.00 . A A . 55 CYS HB2 1 1 3 2489 1 1 55 CYS HB3 H -3.486 -5.717 -0.148 1.00 . A A . 55 CYS HB3 1 1 3 2490 1 1 55 CYS N N -1.858 -7.508 2.185 1.00 . A A . 55 CYS N 1 1 3 2491 1 1 55 CYS O O -2.943 -8.504 -1.045 1.00 . A A . 55 CYS O 1 1 3 2492 1 1 55 CYS SG S -4.007 -5.045 2.072 1.00 . A A . 55 CYS SG 1 1 3 2493 1 1 56 GLY C C -0.298 -10.008 -1.629 1.00 . A A . 56 GLY C 1 1 3 2494 1 1 56 GLY CA C -0.266 -8.490 -1.619 1.00 . A A . 56 GLY CA 1 1 3 2495 1 1 56 GLY H H -0.299 -7.473 0.244 1.00 . A A . 56 GLY H 1 1 3 2496 1 1 56 GLY HA2 H -0.798 -8.125 -2.485 1.00 . A A . 56 GLY HA2 1 1 3 2497 1 1 56 GLY HA3 H 0.763 -8.163 -1.683 1.00 . A A . 56 GLY HA3 1 1 3 2498 1 1 56 GLY N N -0.867 -7.916 -0.424 1.00 . A A . 56 GLY N 1 1 3 2499 1 1 56 GLY O O 0.683 -10.658 -1.268 1.00 . A A . 56 GLY O 1 1 3 2500 1 1 57 GLY C C -1.312 -12.573 -3.506 1.00 . A A . 57 GLY C 1 1 3 2501 1 1 57 GLY CA C -1.554 -12.019 -2.114 1.00 . A A . 57 GLY CA 1 1 3 2502 1 1 57 GLY H H -2.168 -10.004 -2.342 1.00 . A A . 57 GLY H 1 1 3 2503 1 1 57 GLY HA2 H -0.844 -12.464 -1.432 1.00 . A A . 57 GLY HA2 1 1 3 2504 1 1 57 GLY HA3 H -2.552 -12.288 -1.803 1.00 . A A . 57 GLY HA3 1 1 3 2505 1 1 57 GLY N N -1.423 -10.573 -2.057 1.00 . A A . 57 GLY N 1 1 3 2506 1 1 57 GLY O O -1.835 -13.630 -3.859 1.00 . A A . 57 GLY O 1 1 3 2507 1 1 58 ALA C C 0.815 -13.418 -5.660 1.00 . A A . 58 ALA C 1 1 3 2508 1 1 58 ALA CA C -0.210 -12.290 -5.658 1.00 . A A . 58 ALA CA 1 1 3 2509 1 1 58 ALA CB C 0.292 -11.116 -6.485 1.00 . A A . 58 ALA CB 1 1 3 2510 1 1 58 ALA H H -0.130 -11.024 -3.962 1.00 . A A . 58 ALA H 1 1 3 2511 1 1 58 ALA HA H -1.125 -12.650 -6.108 1.00 . A A . 58 ALA HA 1 1 3 2512 1 1 58 ALA HB1 H 1.272 -10.823 -6.136 1.00 . A A . 58 ALA HB1 1 1 3 2513 1 1 58 ALA HB2 H -0.390 -10.284 -6.381 1.00 . A A . 58 ALA HB2 1 1 3 2514 1 1 58 ALA HB3 H 0.351 -11.406 -7.523 1.00 . A A . 58 ALA HB3 1 1 3 2515 1 1 58 ALA N N -0.518 -11.859 -4.299 1.00 . A A . 58 ALA N 1 1 3 2516 1 1 58 ALA O O 1.997 -13.142 -5.364 1.00 . A A . 58 ALA O 1 1 3 2517 1 1 58 ALA OXT O 0.430 -14.567 -5.958 1.00 . A A . 58 ALA OXT 1 1 4 2518 1 1 1 ARG C C -8.720 -10.539 1.186 1.00 . A A . 1 ARG C 1 1 4 2519 1 1 1 ARG CA C -7.894 -11.382 0.217 1.00 . A A . 1 ARG CA 1 1 4 2520 1 1 1 ARG CB C -7.828 -10.703 -1.152 1.00 . A A . 1 ARG CB 1 1 4 2521 1 1 1 ARG CD C -9.274 -11.023 -3.189 1.00 . A A . 1 ARG CD 1 1 4 2522 1 1 1 ARG CG C -9.192 -10.458 -1.779 1.00 . A A . 1 ARG CG 1 1 4 2523 1 1 1 ARG CZ C -8.144 -9.434 -4.702 1.00 . A A . 1 ARG CZ 1 1 4 2524 1 1 1 ARG H1 H -7.966 -13.214 -0.719 1.00 . A A . 1 ARG H1 1 1 4 2525 1 1 1 ARG H2 H -9.489 -12.616 -0.198 1.00 . A A . 1 ARG H2 1 1 4 2526 1 1 1 ARG H3 H -8.375 -13.246 0.945 1.00 . A A . 1 ARG H3 1 1 4 2527 1 1 1 ARG HA H -6.896 -11.492 0.607 1.00 . A A . 1 ARG HA 1 1 4 2528 1 1 1 ARG HB2 H -7.329 -9.751 -1.044 1.00 . A A . 1 ARG HB2 1 1 4 2529 1 1 1 ARG HB3 H -7.253 -11.326 -1.821 1.00 . A A . 1 ARG HB3 1 1 4 2530 1 1 1 ARG HD2 H -8.435 -11.682 -3.352 1.00 . A A . 1 ARG HD2 1 1 4 2531 1 1 1 ARG HD3 H -10.193 -11.584 -3.284 1.00 . A A . 1 ARG HD3 1 1 4 2532 1 1 1 ARG HE H -10.122 -9.647 -4.534 1.00 . A A . 1 ARG HE 1 1 4 2533 1 1 1 ARG HG2 H -9.948 -10.930 -1.170 1.00 . A A . 1 ARG HG2 1 1 4 2534 1 1 1 ARG HG3 H -9.373 -9.392 -1.818 1.00 . A A . 1 ARG HG3 1 1 4 2535 1 1 1 ARG HH11 H -6.883 -10.557 -3.590 1.00 . A A . 1 ARG HH11 1 1 4 2536 1 1 1 ARG HH12 H -6.123 -9.433 -4.663 1.00 . A A . 1 ARG HH12 1 1 4 2537 1 1 1 ARG HH21 H -9.119 -8.170 -5.942 1.00 . A A . 1 ARG HH21 1 1 4 2538 1 1 1 ARG HH22 H -7.390 -8.078 -5.997 1.00 . A A . 1 ARG HH22 1 1 4 2539 1 1 1 ARG N N -8.484 -12.736 0.046 1.00 . A A . 1 ARG N 1 1 4 2540 1 1 1 ARG NE N -9.257 -9.972 -4.204 1.00 . A A . 1 ARG NE 1 1 4 2541 1 1 1 ARG NH1 N -6.953 -9.842 -4.283 1.00 . A A . 1 ARG NH1 1 1 4 2542 1 1 1 ARG NH2 N -8.224 -8.483 -5.622 1.00 . A A . 1 ARG NH2 1 1 4 2543 1 1 1 ARG O O -9.948 -10.629 1.205 1.00 . A A . 1 ARG O 1 1 4 2544 1 1 2 PRO C C -9.622 -7.802 2.295 1.00 . A A . 2 PRO C 1 1 4 2545 1 1 2 PRO CA C -8.747 -8.853 2.980 1.00 . A A . 2 PRO CA 1 1 4 2546 1 1 2 PRO CB C -7.615 -8.187 3.774 1.00 . A A . 2 PRO CB 1 1 4 2547 1 1 2 PRO CD C -6.596 -9.537 2.065 1.00 . A A . 2 PRO CD 1 1 4 2548 1 1 2 PRO CG C -6.369 -8.933 3.422 1.00 . A A . 2 PRO CG 1 1 4 2549 1 1 2 PRO HA H -9.360 -9.439 3.649 1.00 . A A . 2 PRO HA 1 1 4 2550 1 1 2 PRO HB2 H -7.544 -7.149 3.492 1.00 . A A . 2 PRO HB2 1 1 4 2551 1 1 2 PRO HB3 H -7.830 -8.263 4.833 1.00 . A A . 2 PRO HB3 1 1 4 2552 1 1 2 PRO HD2 H -6.256 -8.868 1.290 1.00 . A A . 2 PRO HD2 1 1 4 2553 1 1 2 PRO HD3 H -6.094 -10.491 1.992 1.00 . A A . 2 PRO HD3 1 1 4 2554 1 1 2 PRO HG2 H -5.529 -8.252 3.390 1.00 . A A . 2 PRO HG2 1 1 4 2555 1 1 2 PRO HG3 H -6.191 -9.711 4.151 1.00 . A A . 2 PRO HG3 1 1 4 2556 1 1 2 PRO N N -8.057 -9.707 2.011 1.00 . A A . 2 PRO N 1 1 4 2557 1 1 2 PRO O O -9.189 -7.130 1.359 1.00 . A A . 2 PRO O 1 1 4 2558 1 1 3 ASP C C -11.237 -5.337 2.016 1.00 . A A . 3 ASP C 1 1 4 2559 1 1 3 ASP CA C -11.822 -6.740 2.187 1.00 . A A . 3 ASP CA 1 1 4 2560 1 1 3 ASP CB C -13.072 -6.669 3.068 1.00 . A A . 3 ASP CB 1 1 4 2561 1 1 3 ASP CG C -14.240 -7.436 2.477 1.00 . A A . 3 ASP CG 1 1 4 2562 1 1 3 ASP H H -11.148 -8.263 3.495 1.00 . A A . 3 ASP H 1 1 4 2563 1 1 3 ASP HA H -12.107 -7.111 1.213 1.00 . A A . 3 ASP HA 1 1 4 2564 1 1 3 ASP HB2 H -12.846 -7.088 4.038 1.00 . A A . 3 ASP HB2 1 1 4 2565 1 1 3 ASP HB3 H -13.367 -5.636 3.186 1.00 . A A . 3 ASP HB3 1 1 4 2566 1 1 3 ASP N N -10.862 -7.685 2.757 1.00 . A A . 3 ASP N 1 1 4 2567 1 1 3 ASP O O -11.272 -4.774 0.924 1.00 . A A . 3 ASP O 1 1 4 2568 1 1 3 ASP OD1 O -14.609 -7.155 1.318 1.00 . A A . 3 ASP OD1 1 1 4 2569 1 1 3 ASP OD2 O -14.785 -8.319 3.174 1.00 . A A . 3 ASP OD2 1 1 4 2570 1 1 4 PHE C C -9.160 -3.224 1.947 1.00 . A A . 4 PHE C 1 1 4 2571 1 1 4 PHE CA C -10.179 -3.411 3.070 1.00 . A A . 4 PHE CA 1 1 4 2572 1 1 4 PHE CB C -9.539 -3.046 4.411 1.00 . A A . 4 PHE CB 1 1 4 2573 1 1 4 PHE CD1 C -9.102 -5.176 5.668 1.00 . A A . 4 PHE CD1 1 1 4 2574 1 1 4 PHE CD2 C -7.241 -3.963 4.806 1.00 . A A . 4 PHE CD2 1 1 4 2575 1 1 4 PHE CE1 C -8.245 -6.125 6.188 1.00 . A A . 4 PHE CE1 1 1 4 2576 1 1 4 PHE CE2 C -6.380 -4.910 5.323 1.00 . A A . 4 PHE CE2 1 1 4 2577 1 1 4 PHE CG C -8.610 -4.086 4.970 1.00 . A A . 4 PHE CG 1 1 4 2578 1 1 4 PHE CZ C -6.883 -5.993 6.015 1.00 . A A . 4 PHE CZ 1 1 4 2579 1 1 4 PHE H H -10.756 -5.252 3.950 1.00 . A A . 4 PHE H 1 1 4 2580 1 1 4 PHE HA H -11.004 -2.734 2.894 1.00 . A A . 4 PHE HA 1 1 4 2581 1 1 4 PHE HB2 H -8.967 -2.141 4.281 1.00 . A A . 4 PHE HB2 1 1 4 2582 1 1 4 PHE HB3 H -10.323 -2.872 5.139 1.00 . A A . 4 PHE HB3 1 1 4 2583 1 1 4 PHE HD1 H -10.167 -5.282 5.804 1.00 . A A . 4 PHE HD1 1 1 4 2584 1 1 4 PHE HD2 H -6.845 -3.117 4.265 1.00 . A A . 4 PHE HD2 1 1 4 2585 1 1 4 PHE HE1 H -8.642 -6.970 6.731 1.00 . A A . 4 PHE HE1 1 1 4 2586 1 1 4 PHE HE2 H -5.314 -4.805 5.187 1.00 . A A . 4 PHE HE2 1 1 4 2587 1 1 4 PHE HZ H -6.212 -6.734 6.421 1.00 . A A . 4 PHE HZ 1 1 4 2588 1 1 4 PHE N N -10.732 -4.766 3.104 1.00 . A A . 4 PHE N 1 1 4 2589 1 1 4 PHE O O -8.987 -2.116 1.440 1.00 . A A . 4 PHE O 1 1 4 2590 1 1 5 CYS C C -8.156 -3.731 -0.805 1.00 . A A . 5 CYS C 1 1 4 2591 1 1 5 CYS CA C -7.510 -4.230 0.477 1.00 . A A . 5 CYS CA 1 1 4 2592 1 1 5 CYS CB C -6.865 -5.592 0.241 1.00 . A A . 5 CYS CB 1 1 4 2593 1 1 5 CYS H H -8.685 -5.160 1.973 1.00 . A A . 5 CYS H 1 1 4 2594 1 1 5 CYS HA H -6.745 -3.531 0.775 1.00 . A A . 5 CYS HA 1 1 4 2595 1 1 5 CYS HB2 H -7.630 -6.302 -0.031 1.00 . A A . 5 CYS HB2 1 1 4 2596 1 1 5 CYS HB3 H -6.156 -5.503 -0.566 1.00 . A A . 5 CYS HB3 1 1 4 2597 1 1 5 CYS N N -8.498 -4.303 1.549 1.00 . A A . 5 CYS N 1 1 4 2598 1 1 5 CYS O O -7.491 -3.177 -1.679 1.00 . A A . 5 CYS O 1 1 4 2599 1 1 5 CYS SG S -5.980 -6.252 1.687 1.00 . A A . 5 CYS SG 1 1 4 2600 1 1 6 LEU C C -10.533 -1.993 -1.976 1.00 . A A . 6 LEU C 1 1 4 2601 1 1 6 LEU CA C -10.216 -3.485 -2.068 1.00 . A A . 6 LEU CA 1 1 4 2602 1 1 6 LEU CB C -11.517 -4.283 -2.198 1.00 . A A . 6 LEU CB 1 1 4 2603 1 1 6 LEU CD1 C -12.776 -6.415 -1.802 1.00 . A A . 6 LEU CD1 1 1 4 2604 1 1 6 LEU CD2 C -10.574 -6.466 -2.986 1.00 . A A . 6 LEU CD2 1 1 4 2605 1 1 6 LEU CG C -11.398 -5.780 -1.906 1.00 . A A . 6 LEU CG 1 1 4 2606 1 1 6 LEU H H -9.933 -4.364 -0.159 1.00 . A A . 6 LEU H 1 1 4 2607 1 1 6 LEU HA H -9.606 -3.660 -2.944 1.00 . A A . 6 LEU HA 1 1 4 2608 1 1 6 LEU HB2 H -12.241 -3.861 -1.515 1.00 . A A . 6 LEU HB2 1 1 4 2609 1 1 6 LEU HB3 H -11.888 -4.164 -3.205 1.00 . A A . 6 LEU HB3 1 1 4 2610 1 1 6 LEU HD11 H -13.355 -6.164 -2.679 1.00 . A A . 6 LEU HD11 1 1 4 2611 1 1 6 LEU HD12 H -13.278 -6.045 -0.921 1.00 . A A . 6 LEU HD12 1 1 4 2612 1 1 6 LEU HD13 H -12.674 -7.488 -1.734 1.00 . A A . 6 LEU HD13 1 1 4 2613 1 1 6 LEU HD21 H -11.236 -6.909 -3.716 1.00 . A A . 6 LEU HD21 1 1 4 2614 1 1 6 LEU HD22 H -9.964 -7.236 -2.539 1.00 . A A . 6 LEU HD22 1 1 4 2615 1 1 6 LEU HD23 H -9.939 -5.739 -3.471 1.00 . A A . 6 LEU HD23 1 1 4 2616 1 1 6 LEU HG H -10.895 -5.919 -0.959 1.00 . A A . 6 LEU HG 1 1 4 2617 1 1 6 LEU N N -9.464 -3.923 -0.899 1.00 . A A . 6 LEU N 1 1 4 2618 1 1 6 LEU O O -10.939 -1.373 -2.960 1.00 . A A . 6 LEU O 1 1 4 2619 1 1 7 GLU C C -9.525 0.852 -1.229 1.00 . A A . 7 GLU C 1 1 4 2620 1 1 7 GLU CA C -10.605 -0.003 -0.570 1.00 . A A . 7 GLU CA 1 1 4 2621 1 1 7 GLU CB C -10.665 0.309 0.929 1.00 . A A . 7 GLU CB 1 1 4 2622 1 1 7 GLU CD C -12.287 1.333 2.577 1.00 . A A . 7 GLU CD 1 1 4 2623 1 1 7 GLU CG C -11.542 1.504 1.266 1.00 . A A . 7 GLU CG 1 1 4 2624 1 1 7 GLU H H -10.022 -1.965 -0.039 1.00 . A A . 7 GLU H 1 1 4 2625 1 1 7 GLU HA H -11.556 0.231 -1.017 1.00 . A A . 7 GLU HA 1 1 4 2626 1 1 7 GLU HB2 H -11.053 -0.554 1.449 1.00 . A A . 7 GLU HB2 1 1 4 2627 1 1 7 GLU HB3 H -9.664 0.515 1.282 1.00 . A A . 7 GLU HB3 1 1 4 2628 1 1 7 GLU HG2 H -10.918 2.383 1.337 1.00 . A A . 7 GLU HG2 1 1 4 2629 1 1 7 GLU HG3 H -12.263 1.639 0.474 1.00 . A A . 7 GLU HG3 1 1 4 2630 1 1 7 GLU N N -10.345 -1.422 -0.787 1.00 . A A . 7 GLU N 1 1 4 2631 1 1 7 GLU O O -8.356 0.782 -0.851 1.00 . A A . 7 GLU O 1 1 4 2632 1 1 7 GLU OE1 O -12.920 0.273 2.765 1.00 . A A . 7 GLU OE1 1 1 4 2633 1 1 7 GLU OE2 O -12.235 2.257 3.416 1.00 . A A . 7 GLU OE2 1 1 4 2634 1 1 8 PRO C C -8.507 3.722 -2.028 1.00 . A A . 8 PRO C 1 1 4 2635 1 1 8 PRO CA C -8.947 2.554 -2.906 1.00 . A A . 8 PRO CA 1 1 4 2636 1 1 8 PRO CB C -9.735 3.056 -4.116 1.00 . A A . 8 PRO CB 1 1 4 2637 1 1 8 PRO CD C -11.276 1.853 -2.731 1.00 . A A . 8 PRO CD 1 1 4 2638 1 1 8 PRO CG C -11.159 3.012 -3.685 1.00 . A A . 8 PRO CG 1 1 4 2639 1 1 8 PRO HA H -8.078 2.007 -3.236 1.00 . A A . 8 PRO HA 1 1 4 2640 1 1 8 PRO HB2 H -9.425 4.063 -4.359 1.00 . A A . 8 PRO HB2 1 1 4 2641 1 1 8 PRO HB3 H -9.558 2.406 -4.960 1.00 . A A . 8 PRO HB3 1 1 4 2642 1 1 8 PRO HD2 H -11.960 2.093 -1.929 1.00 . A A . 8 PRO HD2 1 1 4 2643 1 1 8 PRO HD3 H -11.603 0.966 -3.254 1.00 . A A . 8 PRO HD3 1 1 4 2644 1 1 8 PRO HG2 H -11.421 3.934 -3.187 1.00 . A A . 8 PRO HG2 1 1 4 2645 1 1 8 PRO HG3 H -11.797 2.856 -4.543 1.00 . A A . 8 PRO HG3 1 1 4 2646 1 1 8 PRO N N -9.900 1.684 -2.218 1.00 . A A . 8 PRO N 1 1 4 2647 1 1 8 PRO O O -9.183 4.064 -1.059 1.00 . A A . 8 PRO O 1 1 4 2648 1 1 9 PRO C C -7.916 6.474 -1.177 1.00 . A A . 9 PRO C 1 1 4 2649 1 1 9 PRO CA C -6.836 5.488 -1.605 1.00 . A A . 9 PRO CA 1 1 4 2650 1 1 9 PRO CB C -5.864 6.170 -2.580 1.00 . A A . 9 PRO CB 1 1 4 2651 1 1 9 PRO CD C -6.502 4.022 -3.500 1.00 . A A . 9 PRO CD 1 1 4 2652 1 1 9 PRO CG C -5.836 5.331 -3.822 1.00 . A A . 9 PRO CG 1 1 4 2653 1 1 9 PRO HA H -6.298 5.161 -0.731 1.00 . A A . 9 PRO HA 1 1 4 2654 1 1 9 PRO HB2 H -6.216 7.167 -2.797 1.00 . A A . 9 PRO HB2 1 1 4 2655 1 1 9 PRO HB3 H -4.887 6.229 -2.124 1.00 . A A . 9 PRO HB3 1 1 4 2656 1 1 9 PRO HD2 H -7.086 3.683 -4.345 1.00 . A A . 9 PRO HD2 1 1 4 2657 1 1 9 PRO HD3 H -5.766 3.280 -3.226 1.00 . A A . 9 PRO HD3 1 1 4 2658 1 1 9 PRO HG2 H -6.376 5.834 -4.609 1.00 . A A . 9 PRO HG2 1 1 4 2659 1 1 9 PRO HG3 H -4.813 5.165 -4.126 1.00 . A A . 9 PRO HG3 1 1 4 2660 1 1 9 PRO N N -7.365 4.354 -2.360 1.00 . A A . 9 PRO N 1 1 4 2661 1 1 9 PRO O O -9.062 6.401 -1.621 1.00 . A A . 9 PRO O 1 1 4 2662 1 1 10 TYR C C -8.614 9.542 -0.846 1.00 . A A . 10 TYR C 1 1 4 2663 1 1 10 TYR CA C -8.434 8.429 0.179 1.00 . A A . 10 TYR CA 1 1 4 2664 1 1 10 TYR CB C -7.877 9.004 1.476 1.00 . A A . 10 TYR CB 1 1 4 2665 1 1 10 TYR CD1 C -8.970 11.229 1.962 1.00 . A A . 10 TYR CD1 1 1 4 2666 1 1 10 TYR CD2 C -9.598 9.350 3.289 1.00 . A A . 10 TYR CD2 1 1 4 2667 1 1 10 TYR CE1 C -9.837 12.030 2.681 1.00 . A A . 10 TYR CE1 1 1 4 2668 1 1 10 TYR CE2 C -10.468 10.143 4.009 1.00 . A A . 10 TYR CE2 1 1 4 2669 1 1 10 TYR CG C -8.837 9.876 2.253 1.00 . A A . 10 TYR CG 1 1 4 2670 1 1 10 TYR CZ C -10.584 11.483 3.702 1.00 . A A . 10 TYR CZ 1 1 4 2671 1 1 10 TYR H H -6.592 7.415 -0.022 1.00 . A A . 10 TYR H 1 1 4 2672 1 1 10 TYR HA H -9.387 7.966 0.377 1.00 . A A . 10 TYR HA 1 1 4 2673 1 1 10 TYR HB2 H -7.585 8.190 2.116 1.00 . A A . 10 TYR HB2 1 1 4 2674 1 1 10 TYR HB3 H -7.011 9.596 1.242 1.00 . A A . 10 TYR HB3 1 1 4 2675 1 1 10 TYR HD1 H -8.385 11.654 1.160 1.00 . A A . 10 TYR HD1 1 1 4 2676 1 1 10 TYR HD2 H -9.505 8.301 3.528 1.00 . A A . 10 TYR HD2 1 1 4 2677 1 1 10 TYR HE1 H -9.928 13.078 2.439 1.00 . A A . 10 TYR HE1 1 1 4 2678 1 1 10 TYR HE2 H -11.053 9.715 4.809 1.00 . A A . 10 TYR HE2 1 1 4 2679 1 1 10 TYR HH H -11.414 12.032 5.346 1.00 . A A . 10 TYR HH 1 1 4 2680 1 1 10 TYR N N -7.525 7.408 -0.323 1.00 . A A . 10 TYR N 1 1 4 2681 1 1 10 TYR O O -7.862 9.641 -1.814 1.00 . A A . 10 TYR O 1 1 4 2682 1 1 10 TYR OH O -11.449 12.277 4.419 1.00 . A A . 10 TYR OH 1 1 4 2683 1 1 11 ALA C C -10.245 12.754 -0.741 1.00 . A A . 11 ALA C 1 1 4 2684 1 1 11 ALA CA C -9.904 11.490 -1.521 1.00 . A A . 11 ALA CA 1 1 4 2685 1 1 11 ALA CB C -11.043 11.128 -2.464 1.00 . A A . 11 ALA CB 1 1 4 2686 1 1 11 ALA H H -10.177 10.240 0.170 1.00 . A A . 11 ALA H 1 1 4 2687 1 1 11 ALA HA H -9.021 11.675 -2.118 1.00 . A A . 11 ALA HA 1 1 4 2688 1 1 11 ALA HB1 H -11.256 11.968 -3.108 1.00 . A A . 11 ALA HB1 1 1 4 2689 1 1 11 ALA HB2 H -11.922 10.882 -1.888 1.00 . A A . 11 ALA HB2 1 1 4 2690 1 1 11 ALA HB3 H -10.756 10.277 -3.064 1.00 . A A . 11 ALA HB3 1 1 4 2691 1 1 11 ALA N N -9.618 10.376 -0.622 1.00 . A A . 11 ALA N 1 1 4 2692 1 1 11 ALA O O -11.405 12.998 -0.409 1.00 . A A . 11 ALA O 1 1 4 2693 1 1 12 GLY C C -8.535 15.915 -0.196 1.00 . A A . 12 GLY C 1 1 4 2694 1 1 12 GLY CA C -9.439 14.797 0.276 1.00 . A A . 12 GLY CA 1 1 4 2695 1 1 12 GLY H H -8.325 13.319 -0.755 1.00 . A A . 12 GLY H 1 1 4 2696 1 1 12 GLY HA2 H -10.467 15.106 0.155 1.00 . A A . 12 GLY HA2 1 1 4 2697 1 1 12 GLY HA3 H -9.249 14.618 1.325 1.00 . A A . 12 GLY HA3 1 1 4 2698 1 1 12 GLY N N -9.227 13.562 -0.459 1.00 . A A . 12 GLY N 1 1 4 2699 1 1 12 GLY O O -7.958 15.844 -1.282 1.00 . A A . 12 GLY O 1 1 4 2700 1 1 13 ALA C C -6.158 17.914 0.733 1.00 . A A . 13 ALA C 1 1 4 2701 1 1 13 ALA CA C -7.610 18.103 0.297 1.00 . A A . 13 ALA CA 1 1 4 2702 1 1 13 ALA CB C -8.194 19.361 0.926 1.00 . A A . 13 ALA CB 1 1 4 2703 1 1 13 ALA H H -8.914 16.960 1.443 1.00 . A A . 13 ALA H 1 1 4 2704 1 1 13 ALA HA H -7.647 18.214 -0.757 1.00 . A A . 13 ALA HA 1 1 4 2705 1 1 13 ALA HB1 H -8.504 19.147 1.938 1.00 . A A . 13 ALA HB1 1 1 4 2706 1 1 13 ALA HB2 H -9.047 19.687 0.349 1.00 . A A . 13 ALA HB2 1 1 4 2707 1 1 13 ALA HB3 H -7.446 20.139 0.935 1.00 . A A . 13 ALA HB3 1 1 4 2708 1 1 13 ALA N N -8.426 16.958 0.617 1.00 . A A . 13 ALA N 1 1 4 2709 1 1 13 ALA O O -5.503 18.864 1.160 1.00 . A A . 13 ALA O 1 1 4 2710 1 1 14 CYS C C -3.302 16.894 -0.048 1.00 . A A . 14 CYS C 1 1 4 2711 1 1 14 CYS CA C -4.281 16.389 1.009 1.00 . A A . 14 CYS CA 1 1 4 2712 1 1 14 CYS CB C -4.090 14.882 1.223 1.00 . A A . 14 CYS CB 1 1 4 2713 1 1 14 CYS H H -6.223 15.971 0.273 1.00 . A A . 14 CYS H 1 1 4 2714 1 1 14 CYS HA H -4.083 16.902 1.938 1.00 . A A . 14 CYS HA 1 1 4 2715 1 1 14 CYS HB2 H -3.811 14.427 0.285 1.00 . A A . 14 CYS HB2 1 1 4 2716 1 1 14 CYS HB3 H -3.293 14.731 1.937 1.00 . A A . 14 CYS HB3 1 1 4 2717 1 1 14 CYS N N -5.658 16.688 0.623 1.00 . A A . 14 CYS N 1 1 4 2718 1 1 14 CYS O O -3.668 17.077 -1.209 1.00 . A A . 14 CYS O 1 1 4 2719 1 1 14 CYS SG S -5.566 14.005 1.844 1.00 . A A . 14 CYS SG 1 1 4 2720 1 1 15 ARG C C 0.370 17.302 -0.037 1.00 . A A . 15 ARG C 1 1 4 2721 1 1 15 ARG CA C -1.033 17.608 -0.558 1.00 . A A . 15 ARG CA 1 1 4 2722 1 1 15 ARG CB C -1.191 19.113 -0.792 1.00 . A A . 15 ARG CB 1 1 4 2723 1 1 15 ARG CD C -0.351 21.192 0.345 1.00 . A A . 15 ARG CD 1 1 4 2724 1 1 15 ARG CG C -1.199 19.938 0.485 1.00 . A A . 15 ARG CG 1 1 4 2725 1 1 15 ARG CZ C -0.104 23.063 -1.242 1.00 . A A . 15 ARG CZ 1 1 4 2726 1 1 15 ARG H H -1.822 16.963 1.298 1.00 . A A . 15 ARG H 1 1 4 2727 1 1 15 ARG HA H -1.172 17.095 -1.496 1.00 . A A . 15 ARG HA 1 1 4 2728 1 1 15 ARG HB2 H -0.374 19.455 -1.410 1.00 . A A . 15 ARG HB2 1 1 4 2729 1 1 15 ARG HB3 H -2.120 19.288 -1.313 1.00 . A A . 15 ARG HB3 1 1 4 2730 1 1 15 ARG HD2 H -0.411 21.756 1.264 1.00 . A A . 15 ARG HD2 1 1 4 2731 1 1 15 ARG HD3 H 0.673 20.901 0.167 1.00 . A A . 15 ARG HD3 1 1 4 2732 1 1 15 ARG HE H -1.672 21.831 -1.161 1.00 . A A . 15 ARG HE 1 1 4 2733 1 1 15 ARG HG2 H -2.215 20.225 0.709 1.00 . A A . 15 ARG HG2 1 1 4 2734 1 1 15 ARG HG3 H -0.807 19.337 1.293 1.00 . A A . 15 ARG HG3 1 1 4 2735 1 1 15 ARG HH11 H 1.447 22.838 0.037 1.00 . A A . 15 ARG HH11 1 1 4 2736 1 1 15 ARG HH12 H 1.597 24.145 -1.089 1.00 . A A . 15 ARG HH12 1 1 4 2737 1 1 15 ARG HH21 H -1.476 23.549 -2.643 1.00 . A A . 15 ARG HH21 1 1 4 2738 1 1 15 ARG HH22 H -0.062 24.550 -2.610 1.00 . A A . 15 ARG HH22 1 1 4 2739 1 1 15 ARG N N -2.056 17.123 0.360 1.00 . A A . 15 ARG N 1 1 4 2740 1 1 15 ARG NE N -0.802 22.038 -0.759 1.00 . A A . 15 ARG NE 1 1 4 2741 1 1 15 ARG NH1 N 1.077 23.374 -0.722 1.00 . A A . 15 ARG NH1 1 1 4 2742 1 1 15 ARG NH2 N -0.587 23.780 -2.247 1.00 . A A . 15 ARG NH2 1 1 4 2743 1 1 15 ARG O O 0.863 17.965 0.876 1.00 . A A . 15 ARG O 1 1 4 2744 1 1 16 ALA C C 2.384 15.361 1.203 1.00 . A A . 16 ALA C 1 1 4 2745 1 1 16 ALA CA C 2.355 15.895 -0.226 1.00 . A A . 16 ALA CA 1 1 4 2746 1 1 16 ALA CB C 3.321 17.062 -0.372 1.00 . A A . 16 ALA CB 1 1 4 2747 1 1 16 ALA H H 0.561 15.803 -1.345 1.00 . A A . 16 ALA H 1 1 4 2748 1 1 16 ALA HA H 2.679 15.110 -0.894 1.00 . A A . 16 ALA HA 1 1 4 2749 1 1 16 ALA HB1 H 3.755 17.050 -1.361 1.00 . A A . 16 ALA HB1 1 1 4 2750 1 1 16 ALA HB2 H 4.105 16.974 0.366 1.00 . A A . 16 ALA HB2 1 1 4 2751 1 1 16 ALA HB3 H 2.791 17.990 -0.222 1.00 . A A . 16 ALA HB3 1 1 4 2752 1 1 16 ALA N N 1.008 16.293 -0.624 1.00 . A A . 16 ALA N 1 1 4 2753 1 1 16 ALA O O 2.489 16.128 2.160 1.00 . A A . 16 ALA O 1 1 4 2754 1 1 17 ALA C C 2.656 11.918 2.512 1.00 . A A . 17 ALA C 1 1 4 2755 1 1 17 ALA CA C 2.335 13.405 2.636 1.00 . A A . 17 ALA CA 1 1 4 2756 1 1 17 ALA CB C 1.022 13.614 3.374 1.00 . A A . 17 ALA CB 1 1 4 2757 1 1 17 ALA H H 2.239 13.486 0.549 1.00 . A A . 17 ALA H 1 1 4 2758 1 1 17 ALA HA H 3.113 13.877 3.193 1.00 . A A . 17 ALA HA 1 1 4 2759 1 1 17 ALA HB1 H 1.031 13.045 4.292 1.00 . A A . 17 ALA HB1 1 1 4 2760 1 1 17 ALA HB2 H 0.203 13.284 2.752 1.00 . A A . 17 ALA HB2 1 1 4 2761 1 1 17 ALA HB3 H 0.902 14.663 3.603 1.00 . A A . 17 ALA HB3 1 1 4 2762 1 1 17 ALA N N 2.303 14.041 1.338 1.00 . A A . 17 ALA N 1 1 4 2763 1 1 17 ALA O O 1.951 11.071 3.060 1.00 . A A . 17 ALA O 1 1 4 2764 1 1 18 ALA C C 4.694 9.613 2.862 1.00 . A A . 18 ALA C 1 1 4 2765 1 1 18 ALA CA C 4.146 10.230 1.580 1.00 . A A . 18 ALA CA 1 1 4 2766 1 1 18 ALA CB C 5.188 10.157 0.473 1.00 . A A . 18 ALA CB 1 1 4 2767 1 1 18 ALA H H 4.246 12.335 1.378 1.00 . A A . 18 ALA H 1 1 4 2768 1 1 18 ALA HA H 3.280 9.665 1.261 1.00 . A A . 18 ALA HA 1 1 4 2769 1 1 18 ALA HB1 H 6.146 10.478 0.859 1.00 . A A . 18 ALA HB1 1 1 4 2770 1 1 18 ALA HB2 H 4.895 10.801 -0.341 1.00 . A A . 18 ALA HB2 1 1 4 2771 1 1 18 ALA HB3 H 5.266 9.140 0.119 1.00 . A A . 18 ALA HB3 1 1 4 2772 1 1 18 ALA N N 3.727 11.613 1.787 1.00 . A A . 18 ALA N 1 1 4 2773 1 1 18 ALA O O 5.635 10.134 3.462 1.00 . A A . 18 ALA O 1 1 4 2774 1 1 19 ALA C C 3.970 6.385 4.531 1.00 . A A . 19 ALA C 1 1 4 2775 1 1 19 ALA CA C 4.536 7.800 4.478 1.00 . A A . 19 ALA CA 1 1 4 2776 1 1 19 ALA CB C 4.123 8.582 5.715 1.00 . A A . 19 ALA CB 1 1 4 2777 1 1 19 ALA H H 3.364 8.125 2.747 1.00 . A A . 19 ALA H 1 1 4 2778 1 1 19 ALA HA H 5.615 7.745 4.462 1.00 . A A . 19 ALA HA 1 1 4 2779 1 1 19 ALA HB1 H 4.902 9.284 5.974 1.00 . A A . 19 ALA HB1 1 1 4 2780 1 1 19 ALA HB2 H 3.966 7.900 6.537 1.00 . A A . 19 ALA HB2 1 1 4 2781 1 1 19 ALA HB3 H 3.208 9.118 5.513 1.00 . A A . 19 ALA HB3 1 1 4 2782 1 1 19 ALA N N 4.104 8.494 3.272 1.00 . A A . 19 ALA N 1 1 4 2783 1 1 19 ALA O O 4.697 5.423 4.774 1.00 . A A . 19 ALA O 1 1 4 2784 1 1 20 ARG C C 1.788 4.434 2.908 1.00 . A A . 20 ARG C 1 1 4 2785 1 1 20 ARG CA C 1.997 4.972 4.320 1.00 . A A . 20 ARG CA 1 1 4 2786 1 1 20 ARG CB C 0.649 5.088 5.038 1.00 . A A . 20 ARG CB 1 1 4 2787 1 1 20 ARG CD C -0.090 4.379 7.337 1.00 . A A . 20 ARG CD 1 1 4 2788 1 1 20 ARG CG C 0.774 5.338 6.534 1.00 . A A . 20 ARG CG 1 1 4 2789 1 1 20 ARG CZ C -1.364 5.669 9.011 1.00 . A A . 20 ARG CZ 1 1 4 2790 1 1 20 ARG H H 2.142 7.074 4.108 1.00 . A A . 20 ARG H 1 1 4 2791 1 1 20 ARG HA H 2.623 4.282 4.865 1.00 . A A . 20 ARG HA 1 1 4 2792 1 1 20 ARG HB2 H 0.090 5.907 4.605 1.00 . A A . 20 ARG HB2 1 1 4 2793 1 1 20 ARG HB3 H 0.098 4.168 4.893 1.00 . A A . 20 ARG HB3 1 1 4 2794 1 1 20 ARG HD2 H -0.377 3.556 6.701 1.00 . A A . 20 ARG HD2 1 1 4 2795 1 1 20 ARG HD3 H 0.487 4.005 8.169 1.00 . A A . 20 ARG HD3 1 1 4 2796 1 1 20 ARG HE H -2.106 4.972 7.294 1.00 . A A . 20 ARG HE 1 1 4 2797 1 1 20 ARG HG2 H 1.805 5.206 6.825 1.00 . A A . 20 ARG HG2 1 1 4 2798 1 1 20 ARG HG3 H 0.465 6.352 6.746 1.00 . A A . 20 ARG HG3 1 1 4 2799 1 1 20 ARG HH11 H 0.578 5.371 9.495 1.00 . A A . 20 ARG HH11 1 1 4 2800 1 1 20 ARG HH12 H -0.347 6.259 10.656 1.00 . A A . 20 ARG HH12 1 1 4 2801 1 1 20 ARG HH21 H -3.320 6.143 8.822 1.00 . A A . 20 ARG HH21 1 1 4 2802 1 1 20 ARG HH22 H -2.559 6.699 10.275 1.00 . A A . 20 ARG HH22 1 1 4 2803 1 1 20 ARG N N 2.666 6.269 4.299 1.00 . A A . 20 ARG N 1 1 4 2804 1 1 20 ARG NE N -1.298 5.025 7.847 1.00 . A A . 20 ARG NE 1 1 4 2805 1 1 20 ARG NH1 N -0.289 5.775 9.783 1.00 . A A . 20 ARG NH1 1 1 4 2806 1 1 20 ARG NH2 N -2.508 6.215 9.401 1.00 . A A . 20 ARG NH2 1 1 4 2807 1 1 20 ARG O O 2.156 5.074 1.924 1.00 . A A . 20 ARG O 1 1 4 2808 1 1 21 TYR C C -0.487 2.046 1.484 1.00 . A A . 21 TYR C 1 1 4 2809 1 1 21 TYR CA C 0.924 2.627 1.528 1.00 . A A . 21 TYR CA 1 1 4 2810 1 1 21 TYR CB C 1.937 1.516 1.250 1.00 . A A . 21 TYR CB 1 1 4 2811 1 1 21 TYR CD1 C 3.974 2.257 2.546 1.00 . A A . 21 TYR CD1 1 1 4 2812 1 1 21 TYR CD2 C 4.149 2.071 0.177 1.00 . A A . 21 TYR CD2 1 1 4 2813 1 1 21 TYR CE1 C 5.297 2.651 2.616 1.00 . A A . 21 TYR CE1 1 1 4 2814 1 1 21 TYR CE2 C 5.473 2.460 0.238 1.00 . A A . 21 TYR CE2 1 1 4 2815 1 1 21 TYR CG C 3.378 1.962 1.327 1.00 . A A . 21 TYR CG 1 1 4 2816 1 1 21 TYR CZ C 6.042 2.750 1.461 1.00 . A A . 21 TYR CZ 1 1 4 2817 1 1 21 TYR H H 0.919 2.791 3.639 1.00 . A A . 21 TYR H 1 1 4 2818 1 1 21 TYR HA H 1.014 3.385 0.766 1.00 . A A . 21 TYR HA 1 1 4 2819 1 1 21 TYR HB2 H 1.800 0.726 1.973 1.00 . A A . 21 TYR HB2 1 1 4 2820 1 1 21 TYR HB3 H 1.764 1.122 0.259 1.00 . A A . 21 TYR HB3 1 1 4 2821 1 1 21 TYR HD1 H 3.388 2.177 3.450 1.00 . A A . 21 TYR HD1 1 1 4 2822 1 1 21 TYR HD2 H 3.700 1.844 -0.780 1.00 . A A . 21 TYR HD2 1 1 4 2823 1 1 21 TYR HE1 H 5.742 2.877 3.574 1.00 . A A . 21 TYR HE1 1 1 4 2824 1 1 21 TYR HE2 H 6.055 2.540 -0.668 1.00 . A A . 21 TYR HE2 1 1 4 2825 1 1 21 TYR HH H 7.865 2.687 0.851 1.00 . A A . 21 TYR HH 1 1 4 2826 1 1 21 TYR N N 1.192 3.252 2.818 1.00 . A A . 21 TYR N 1 1 4 2827 1 1 21 TYR O O -1.153 1.929 2.511 1.00 . A A . 21 TYR O 1 1 4 2828 1 1 21 TYR OH O 7.360 3.142 1.528 1.00 . A A . 21 TYR OH 1 1 4 2829 1 1 22 PHE C C -2.211 0.016 -0.986 1.00 . A A . 22 PHE C 1 1 4 2830 1 1 22 PHE CA C -2.251 1.065 0.107 1.00 . A A . 22 PHE CA 1 1 4 2831 1 1 22 PHE CB C -3.304 2.115 -0.247 1.00 . A A . 22 PHE CB 1 1 4 2832 1 1 22 PHE CD1 C -2.260 4.048 -1.466 1.00 . A A . 22 PHE CD1 1 1 4 2833 1 1 22 PHE CD2 C -3.476 2.435 -2.729 1.00 . A A . 22 PHE CD2 1 1 4 2834 1 1 22 PHE CE1 C -1.989 4.752 -2.623 1.00 . A A . 22 PHE CE1 1 1 4 2835 1 1 22 PHE CE2 C -3.208 3.135 -3.889 1.00 . A A . 22 PHE CE2 1 1 4 2836 1 1 22 PHE CG C -3.005 2.883 -1.506 1.00 . A A . 22 PHE CG 1 1 4 2837 1 1 22 PHE CZ C -2.464 4.295 -3.835 1.00 . A A . 22 PHE CZ 1 1 4 2838 1 1 22 PHE H H -0.342 1.770 -0.492 1.00 . A A . 22 PHE H 1 1 4 2839 1 1 22 PHE HA H -2.529 0.584 1.036 1.00 . A A . 22 PHE HA 1 1 4 2840 1 1 22 PHE HB2 H -4.253 1.621 -0.387 1.00 . A A . 22 PHE HB2 1 1 4 2841 1 1 22 PHE HB3 H -3.387 2.811 0.564 1.00 . A A . 22 PHE HB3 1 1 4 2842 1 1 22 PHE HD1 H -1.886 4.405 -0.518 1.00 . A A . 22 PHE HD1 1 1 4 2843 1 1 22 PHE HD2 H -4.059 1.526 -2.772 1.00 . A A . 22 PHE HD2 1 1 4 2844 1 1 22 PHE HE1 H -1.406 5.660 -2.578 1.00 . A A . 22 PHE HE1 1 1 4 2845 1 1 22 PHE HE2 H -3.582 2.775 -4.836 1.00 . A A . 22 PHE HE2 1 1 4 2846 1 1 22 PHE HZ H -2.254 4.846 -4.741 1.00 . A A . 22 PHE HZ 1 1 4 2847 1 1 22 PHE N N -0.928 1.663 0.287 1.00 . A A . 22 PHE N 1 1 4 2848 1 1 22 PHE O O -1.344 0.042 -1.851 1.00 . A A . 22 PHE O 1 1 4 2849 1 1 23 TYR C C -3.988 -1.524 -3.169 1.00 . A A . 23 TYR C 1 1 4 2850 1 1 23 TYR CA C -3.213 -1.975 -1.940 1.00 . A A . 23 TYR CA 1 1 4 2851 1 1 23 TYR CB C -3.851 -3.241 -1.365 1.00 . A A . 23 TYR CB 1 1 4 2852 1 1 23 TYR CD1 C -2.689 -4.985 -2.776 1.00 . A A . 23 TYR CD1 1 1 4 2853 1 1 23 TYR CD2 C -5.068 -4.871 -2.868 1.00 . A A . 23 TYR CD2 1 1 4 2854 1 1 23 TYR CE1 C -2.701 -6.024 -3.687 1.00 . A A . 23 TYR CE1 1 1 4 2855 1 1 23 TYR CE2 C -5.086 -5.912 -3.777 1.00 . A A . 23 TYR CE2 1 1 4 2856 1 1 23 TYR CG C -3.872 -4.391 -2.351 1.00 . A A . 23 TYR CG 1 1 4 2857 1 1 23 TYR CZ C -3.901 -6.483 -4.183 1.00 . A A . 23 TYR CZ 1 1 4 2858 1 1 23 TYR H H -3.821 -0.873 -0.223 1.00 . A A . 23 TYR H 1 1 4 2859 1 1 23 TYR HA H -2.193 -2.209 -2.236 1.00 . A A . 23 TYR HA 1 1 4 2860 1 1 23 TYR HB2 H -3.288 -3.558 -0.499 1.00 . A A . 23 TYR HB2 1 1 4 2861 1 1 23 TYR HB3 H -4.872 -3.027 -1.077 1.00 . A A . 23 TYR HB3 1 1 4 2862 1 1 23 TYR HD1 H -1.750 -4.624 -2.384 1.00 . A A . 23 TYR HD1 1 1 4 2863 1 1 23 TYR HD2 H -5.994 -4.423 -2.549 1.00 . A A . 23 TYR HD2 1 1 4 2864 1 1 23 TYR HE1 H -1.771 -6.473 -4.005 1.00 . A A . 23 TYR HE1 1 1 4 2865 1 1 23 TYR HE2 H -6.027 -6.272 -4.166 1.00 . A A . 23 TYR HE2 1 1 4 2866 1 1 23 TYR HH H -4.232 -8.317 -4.660 1.00 . A A . 23 TYR HH 1 1 4 2867 1 1 23 TYR N N -3.153 -0.910 -0.941 1.00 . A A . 23 TYR N 1 1 4 2868 1 1 23 TYR O O -5.011 -0.847 -3.058 1.00 . A A . 23 TYR O 1 1 4 2869 1 1 23 TYR OH O -3.916 -7.518 -5.090 1.00 . A A . 23 TYR OH 1 1 4 2870 1 1 24 ASN C C -4.829 -2.801 -6.185 1.00 . A A . 24 ASN C 1 1 4 2871 1 1 24 ASN CA C -4.152 -1.572 -5.592 1.00 . A A . 24 ASN CA 1 1 4 2872 1 1 24 ASN CB C -3.129 -1.008 -6.579 1.00 . A A . 24 ASN CB 1 1 4 2873 1 1 24 ASN CG C -3.760 -0.584 -7.887 1.00 . A A . 24 ASN CG 1 1 4 2874 1 1 24 ASN H H -2.693 -2.468 -4.351 1.00 . A A . 24 ASN H 1 1 4 2875 1 1 24 ASN HA H -4.902 -0.820 -5.390 1.00 . A A . 24 ASN HA 1 1 4 2876 1 1 24 ASN HB2 H -2.647 -0.145 -6.138 1.00 . A A . 24 ASN HB2 1 1 4 2877 1 1 24 ASN HB3 H -2.386 -1.764 -6.792 1.00 . A A . 24 ASN HB3 1 1 4 2878 1 1 24 ASN HD21 H -2.269 0.694 -8.211 1.00 . A A . 24 ASN HD21 1 1 4 2879 1 1 24 ASN HD22 H -3.493 0.632 -9.436 1.00 . A A . 24 ASN HD22 1 1 4 2880 1 1 24 ASN N N -3.504 -1.918 -4.335 1.00 . A A . 24 ASN N 1 1 4 2881 1 1 24 ASN ND2 N -3.110 0.342 -8.581 1.00 . A A . 24 ASN ND2 1 1 4 2882 1 1 24 ASN O O -4.224 -3.535 -6.958 1.00 . A A . 24 ASN O 1 1 4 2883 1 1 24 ASN OD1 O -4.818 -1.083 -8.271 1.00 . A A . 24 ASN OD1 1 1 4 2884 1 1 25 ALA C C -6.795 -4.236 -7.843 1.00 . A A . 25 ALA C 1 1 4 2885 1 1 25 ALA CA C -6.831 -4.172 -6.317 1.00 . A A . 25 ALA CA 1 1 4 2886 1 1 25 ALA CB C -8.270 -4.125 -5.820 1.00 . A A . 25 ALA CB 1 1 4 2887 1 1 25 ALA H H -6.520 -2.404 -5.194 1.00 . A A . 25 ALA H 1 1 4 2888 1 1 25 ALA HA H -6.369 -5.065 -5.919 1.00 . A A . 25 ALA HA 1 1 4 2889 1 1 25 ALA HB1 H -8.805 -3.345 -6.342 1.00 . A A . 25 ALA HB1 1 1 4 2890 1 1 25 ALA HB2 H -8.280 -3.920 -4.758 1.00 . A A . 25 ALA HB2 1 1 4 2891 1 1 25 ALA HB3 H -8.746 -5.076 -6.007 1.00 . A A . 25 ALA HB3 1 1 4 2892 1 1 25 ALA N N -6.086 -3.022 -5.817 1.00 . A A . 25 ALA N 1 1 4 2893 1 1 25 ALA O O -6.936 -5.307 -8.432 1.00 . A A . 25 ALA O 1 1 4 2894 1 1 26 LYS C C -5.113 -3.125 -10.464 1.00 . A A . 26 LYS C 1 1 4 2895 1 1 26 LYS CA C -6.545 -3.003 -9.934 1.00 . A A . 26 LYS CA 1 1 4 2896 1 1 26 LYS CB C -7.156 -1.681 -10.411 1.00 . A A . 26 LYS CB 1 1 4 2897 1 1 26 LYS CD C -8.726 0.185 -9.804 1.00 . A A . 26 LYS CD 1 1 4 2898 1 1 26 LYS CE C -9.541 0.685 -8.622 1.00 . A A . 26 LYS CE 1 1 4 2899 1 1 26 LYS CG C -8.439 -1.303 -9.688 1.00 . A A . 26 LYS CG 1 1 4 2900 1 1 26 LYS H H -6.491 -2.262 -7.951 1.00 . A A . 26 LYS H 1 1 4 2901 1 1 26 LYS HA H -7.133 -3.818 -10.332 1.00 . A A . 26 LYS HA 1 1 4 2902 1 1 26 LYS HB2 H -6.436 -0.891 -10.259 1.00 . A A . 26 LYS HB2 1 1 4 2903 1 1 26 LYS HB3 H -7.372 -1.761 -11.466 1.00 . A A . 26 LYS HB3 1 1 4 2904 1 1 26 LYS HD2 H -7.789 0.722 -9.836 1.00 . A A . 26 LYS HD2 1 1 4 2905 1 1 26 LYS HD3 H -9.279 0.366 -10.713 1.00 . A A . 26 LYS HD3 1 1 4 2906 1 1 26 LYS HE2 H -10.504 0.197 -8.633 1.00 . A A . 26 LYS HE2 1 1 4 2907 1 1 26 LYS HE3 H -9.020 0.431 -7.709 1.00 . A A . 26 LYS HE3 1 1 4 2908 1 1 26 LYS HG2 H -9.261 -1.851 -10.123 1.00 . A A . 26 LYS HG2 1 1 4 2909 1 1 26 LYS HG3 H -8.343 -1.561 -8.645 1.00 . A A . 26 LYS HG3 1 1 4 2910 1 1 26 LYS HZ1 H -9.015 2.602 -9.263 1.00 . A A . 26 LYS HZ1 1 1 4 2911 1 1 26 LYS HZ2 H -9.686 2.560 -7.711 1.00 . A A . 26 LYS HZ2 1 1 4 2912 1 1 26 LYS HZ3 H -10.681 2.377 -9.068 1.00 . A A . 26 LYS HZ3 1 1 4 2913 1 1 26 LYS N N -6.600 -3.082 -8.476 1.00 . A A . 26 LYS N 1 1 4 2914 1 1 26 LYS NZ N -9.745 2.159 -8.669 1.00 . A A . 26 LYS NZ 1 1 4 2915 1 1 26 LYS O O -4.890 -3.032 -11.670 1.00 . A A . 26 LYS O 1 1 4 2916 1 1 27 ALA C C -1.978 -4.516 -9.224 1.00 . A A . 27 ALA C 1 1 4 2917 1 1 27 ALA CA C -2.745 -3.432 -9.992 1.00 . A A . 27 ALA CA 1 1 4 2918 1 1 27 ALA CB C -2.046 -2.090 -9.838 1.00 . A A . 27 ALA CB 1 1 4 2919 1 1 27 ALA H H -4.365 -3.370 -8.618 1.00 . A A . 27 ALA H 1 1 4 2920 1 1 27 ALA HA H -2.740 -3.687 -11.042 1.00 . A A . 27 ALA HA 1 1 4 2921 1 1 27 ALA HB1 H -1.818 -1.920 -8.796 1.00 . A A . 27 ALA HB1 1 1 4 2922 1 1 27 ALA HB2 H -2.694 -1.304 -10.197 1.00 . A A . 27 ALA HB2 1 1 4 2923 1 1 27 ALA HB3 H -1.130 -2.093 -10.412 1.00 . A A . 27 ALA HB3 1 1 4 2924 1 1 27 ALA N N -4.142 -3.319 -9.570 1.00 . A A . 27 ALA N 1 1 4 2925 1 1 27 ALA O O -0.802 -4.756 -9.496 1.00 . A A . 27 ALA O 1 1 4 2926 1 1 28 GLY C C -0.850 -5.766 -6.639 1.00 . A A . 28 GLY C 1 1 4 2927 1 1 28 GLY CA C -2.007 -6.228 -7.513 1.00 . A A . 28 GLY CA 1 1 4 2928 1 1 28 GLY H H -3.571 -4.964 -8.108 1.00 . A A . 28 GLY H 1 1 4 2929 1 1 28 GLY HA2 H -2.749 -6.693 -6.883 1.00 . A A . 28 GLY HA2 1 1 4 2930 1 1 28 GLY HA3 H -1.643 -6.956 -8.207 1.00 . A A . 28 GLY HA3 1 1 4 2931 1 1 28 GLY N N -2.641 -5.176 -8.278 1.00 . A A . 28 GLY N 1 1 4 2932 1 1 28 GLY O O -0.285 -6.560 -5.886 1.00 . A A . 28 GLY O 1 1 4 2933 1 1 29 LEU C C 0.146 -2.786 -5.075 1.00 . A A . 29 LEU C 1 1 4 2934 1 1 29 LEU CA C 0.614 -3.952 -5.942 1.00 . A A . 29 LEU CA 1 1 4 2935 1 1 29 LEU CB C 1.751 -3.496 -6.862 1.00 . A A . 29 LEU CB 1 1 4 2936 1 1 29 LEU CD1 C 3.109 -5.369 -7.827 1.00 . A A . 29 LEU CD1 1 1 4 2937 1 1 29 LEU CD2 C 4.257 -3.388 -6.818 1.00 . A A . 29 LEU CD2 1 1 4 2938 1 1 29 LEU CG C 3.044 -4.305 -6.742 1.00 . A A . 29 LEU CG 1 1 4 2939 1 1 29 LEU H H -0.966 -3.908 -7.348 1.00 . A A . 29 LEU H 1 1 4 2940 1 1 29 LEU HA H 0.977 -4.740 -5.301 1.00 . A A . 29 LEU HA 1 1 4 2941 1 1 29 LEU HB2 H 1.406 -3.557 -7.884 1.00 . A A . 29 LEU HB2 1 1 4 2942 1 1 29 LEU HB3 H 1.977 -2.464 -6.638 1.00 . A A . 29 LEU HB3 1 1 4 2943 1 1 29 LEU HD11 H 2.259 -6.028 -7.737 1.00 . A A . 29 LEU HD11 1 1 4 2944 1 1 29 LEU HD12 H 4.020 -5.939 -7.719 1.00 . A A . 29 LEU HD12 1 1 4 2945 1 1 29 LEU HD13 H 3.097 -4.894 -8.797 1.00 . A A . 29 LEU HD13 1 1 4 2946 1 1 29 LEU HD21 H 4.663 -3.412 -7.818 1.00 . A A . 29 LEU HD21 1 1 4 2947 1 1 29 LEU HD22 H 5.006 -3.724 -6.117 1.00 . A A . 29 LEU HD22 1 1 4 2948 1 1 29 LEU HD23 H 3.961 -2.378 -6.573 1.00 . A A . 29 LEU HD23 1 1 4 2949 1 1 29 LEU HG H 3.062 -4.805 -5.785 1.00 . A A . 29 LEU HG 1 1 4 2950 1 1 29 LEU N N -0.488 -4.494 -6.734 1.00 . A A . 29 LEU N 1 1 4 2951 1 1 29 LEU O O -0.986 -2.323 -5.202 1.00 . A A . 29 LEU O 1 1 4 2952 1 1 30 CYS C C 1.332 0.092 -3.805 1.00 . A A . 30 CYS C 1 1 4 2953 1 1 30 CYS CA C 0.691 -1.198 -3.321 1.00 . A A . 30 CYS CA 1 1 4 2954 1 1 30 CYS CB C 1.128 -1.462 -1.882 1.00 . A A . 30 CYS CB 1 1 4 2955 1 1 30 CYS H H 1.916 -2.718 -4.138 1.00 . A A . 30 CYS H 1 1 4 2956 1 1 30 CYS HA H -0.380 -1.078 -3.343 1.00 . A A . 30 CYS HA 1 1 4 2957 1 1 30 CYS HB2 H 2.166 -1.191 -1.778 1.00 . A A . 30 CYS HB2 1 1 4 2958 1 1 30 CYS HB3 H 0.537 -0.844 -1.224 1.00 . A A . 30 CYS HB3 1 1 4 2959 1 1 30 CYS N N 1.026 -2.313 -4.196 1.00 . A A . 30 CYS N 1 1 4 2960 1 1 30 CYS O O 2.171 0.091 -4.706 1.00 . A A . 30 CYS O 1 1 4 2961 1 1 30 CYS SG S 0.936 -3.190 -1.335 1.00 . A A . 30 CYS SG 1 1 4 2962 1 1 31 GLN C C 1.428 3.444 -2.330 1.00 . A A . 31 GLN C 1 1 4 2963 1 1 31 GLN CA C 1.454 2.505 -3.533 1.00 . A A . 31 GLN CA 1 1 4 2964 1 1 31 GLN CB C 0.651 3.106 -4.690 1.00 . A A . 31 GLN CB 1 1 4 2965 1 1 31 GLN CD C 1.745 4.582 -6.427 1.00 . A A . 31 GLN CD 1 1 4 2966 1 1 31 GLN CG C 1.078 4.516 -5.066 1.00 . A A . 31 GLN CG 1 1 4 2967 1 1 31 GLN H H 0.269 1.113 -2.469 1.00 . A A . 31 GLN H 1 1 4 2968 1 1 31 GLN HA H 2.476 2.376 -3.850 1.00 . A A . 31 GLN HA 1 1 4 2969 1 1 31 GLN HB2 H 0.768 2.475 -5.559 1.00 . A A . 31 GLN HB2 1 1 4 2970 1 1 31 GLN HB3 H -0.391 3.130 -4.413 1.00 . A A . 31 GLN HB3 1 1 4 2971 1 1 31 GLN HE21 H 3.487 4.053 -5.626 1.00 . A A . 31 GLN HE21 1 1 4 2972 1 1 31 GLN HE22 H 3.496 4.326 -7.333 1.00 . A A . 31 GLN HE22 1 1 4 2973 1 1 31 GLN HG2 H 0.204 5.151 -5.077 1.00 . A A . 31 GLN HG2 1 1 4 2974 1 1 31 GLN HG3 H 1.773 4.879 -4.323 1.00 . A A . 31 GLN HG3 1 1 4 2975 1 1 31 GLN N N 0.929 1.192 -3.187 1.00 . A A . 31 GLN N 1 1 4 2976 1 1 31 GLN NE2 N 3.040 4.291 -6.466 1.00 . A A . 31 GLN NE2 1 1 4 2977 1 1 31 GLN O O 0.494 3.413 -1.526 1.00 . A A . 31 GLN O 1 1 4 2978 1 1 31 GLN OE1 O 1.103 4.893 -7.431 1.00 . A A . 31 GLN OE1 1 1 4 2979 1 1 32 THR C C 1.560 6.420 -1.375 1.00 . A A . 32 THR C 1 1 4 2980 1 1 32 THR CA C 2.522 5.257 -1.134 1.00 . A A . 32 THR CA 1 1 4 2981 1 1 32 THR CB C 3.959 5.769 -0.971 1.00 . A A . 32 THR CB 1 1 4 2982 1 1 32 THR CG2 C 4.322 6.889 -1.924 1.00 . A A . 32 THR CG2 1 1 4 2983 1 1 32 THR H H 3.153 4.280 -2.902 1.00 . A A . 32 THR H 1 1 4 2984 1 1 32 THR HA H 2.223 4.756 -0.228 1.00 . A A . 32 THR HA 1 1 4 2985 1 1 32 THR HB H 4.640 4.950 -1.152 1.00 . A A . 32 THR HB 1 1 4 2986 1 1 32 THR HG1 H 3.634 7.022 0.498 1.00 . A A . 32 THR HG1 1 1 4 2987 1 1 32 THR HG21 H 3.734 6.801 -2.826 1.00 . A A . 32 THR HG21 1 1 4 2988 1 1 32 THR HG22 H 5.371 6.823 -2.171 1.00 . A A . 32 THR HG22 1 1 4 2989 1 1 32 THR HG23 H 4.122 7.840 -1.454 1.00 . A A . 32 THR HG23 1 1 4 2990 1 1 32 THR N N 2.446 4.291 -2.222 1.00 . A A . 32 THR N 1 1 4 2991 1 1 32 THR O O 1.546 7.012 -2.454 1.00 . A A . 32 THR O 1 1 4 2992 1 1 32 THR OG1 O 4.174 6.243 0.346 1.00 . A A . 32 THR OG1 1 1 4 2993 1 1 33 PHE C C 0.480 9.138 -0.874 1.00 . A A . 33 PHE C 1 1 4 2994 1 1 33 PHE CA C -0.200 7.839 -0.458 1.00 . A A . 33 PHE CA 1 1 4 2995 1 1 33 PHE CB C -0.917 8.038 0.877 1.00 . A A . 33 PHE CB 1 1 4 2996 1 1 33 PHE CD1 C -0.885 5.869 2.118 1.00 . A A . 33 PHE CD1 1 1 4 2997 1 1 33 PHE CD2 C -2.927 6.564 1.116 1.00 . A A . 33 PHE CD2 1 1 4 2998 1 1 33 PHE CE1 C -1.497 4.724 2.583 1.00 . A A . 33 PHE CE1 1 1 4 2999 1 1 33 PHE CE2 C -3.545 5.421 1.578 1.00 . A A . 33 PHE CE2 1 1 4 3000 1 1 33 PHE CG C -1.590 6.799 1.382 1.00 . A A . 33 PHE CG 1 1 4 3001 1 1 33 PHE CZ C -2.830 4.500 2.313 1.00 . A A . 33 PHE CZ 1 1 4 3002 1 1 33 PHE H H 0.834 6.242 0.477 1.00 . A A . 33 PHE H 1 1 4 3003 1 1 33 PHE HA H -0.930 7.564 -1.211 1.00 . A A . 33 PHE HA 1 1 4 3004 1 1 33 PHE HB2 H -0.201 8.353 1.622 1.00 . A A . 33 PHE HB2 1 1 4 3005 1 1 33 PHE HB3 H -1.670 8.803 0.764 1.00 . A A . 33 PHE HB3 1 1 4 3006 1 1 33 PHE HD1 H 0.157 6.046 2.331 1.00 . A A . 33 PHE HD1 1 1 4 3007 1 1 33 PHE HD2 H -3.489 7.286 0.541 1.00 . A A . 33 PHE HD2 1 1 4 3008 1 1 33 PHE HE1 H -0.934 4.006 3.159 1.00 . A A . 33 PHE HE1 1 1 4 3009 1 1 33 PHE HE2 H -4.591 5.249 1.365 1.00 . A A . 33 PHE HE2 1 1 4 3010 1 1 33 PHE HZ H -3.312 3.606 2.676 1.00 . A A . 33 PHE HZ 1 1 4 3011 1 1 33 PHE N N 0.768 6.747 -0.359 1.00 . A A . 33 PHE N 1 1 4 3012 1 1 33 PHE O O 1.697 9.281 -0.749 1.00 . A A . 33 PHE O 1 1 4 3013 1 1 34 ALA C C -0.862 12.417 -2.004 1.00 . A A . 34 ALA C 1 1 4 3014 1 1 34 ALA CA C 0.234 11.366 -1.800 1.00 . A A . 34 ALA CA 1 1 4 3015 1 1 34 ALA CB C 1.031 11.168 -3.082 1.00 . A A . 34 ALA CB 1 1 4 3016 1 1 34 ALA H H -1.272 9.923 -1.441 1.00 . A A . 34 ALA H 1 1 4 3017 1 1 34 ALA HA H 0.913 11.712 -1.038 1.00 . A A . 34 ALA HA 1 1 4 3018 1 1 34 ALA HB1 H 1.955 11.724 -3.023 1.00 . A A . 34 ALA HB1 1 1 4 3019 1 1 34 ALA HB2 H 0.452 11.520 -3.924 1.00 . A A . 34 ALA HB2 1 1 4 3020 1 1 34 ALA HB3 H 1.250 10.119 -3.211 1.00 . A A . 34 ALA HB3 1 1 4 3021 1 1 34 ALA N N -0.309 10.089 -1.366 1.00 . A A . 34 ALA N 1 1 4 3022 1 1 34 ALA O O -1.974 12.298 -1.466 1.00 . A A . 34 ALA O 1 1 4 3023 1 1 35 TYR C C -2.891 14.015 -3.225 1.00 . A A . 35 TYR C 1 1 4 3024 1 1 35 TYR CA C -1.467 14.535 -3.082 1.00 . A A . 35 TYR CA 1 1 4 3025 1 1 35 TYR CB C -1.052 15.259 -4.366 1.00 . A A . 35 TYR CB 1 1 4 3026 1 1 35 TYR CD1 C 1.388 15.816 -4.033 1.00 . A A . 35 TYR CD1 1 1 4 3027 1 1 35 TYR CD2 C -0.178 17.611 -4.105 1.00 . A A . 35 TYR CD2 1 1 4 3028 1 1 35 TYR CE1 C 2.419 16.717 -3.845 1.00 . A A . 35 TYR CE1 1 1 4 3029 1 1 35 TYR CE2 C 0.847 18.517 -3.917 1.00 . A A . 35 TYR CE2 1 1 4 3030 1 1 35 TYR CG C 0.075 16.247 -4.166 1.00 . A A . 35 TYR CG 1 1 4 3031 1 1 35 TYR CZ C 2.143 18.066 -3.787 1.00 . A A . 35 TYR CZ 1 1 4 3032 1 1 35 TYR H H 0.360 13.479 -3.183 1.00 . A A . 35 TYR H 1 1 4 3033 1 1 35 TYR HA H -1.427 15.233 -2.256 1.00 . A A . 35 TYR HA 1 1 4 3034 1 1 35 TYR HB2 H -0.728 14.531 -5.093 1.00 . A A . 35 TYR HB2 1 1 4 3035 1 1 35 TYR HB3 H -1.902 15.799 -4.757 1.00 . A A . 35 TYR HB3 1 1 4 3036 1 1 35 TYR HD1 H 1.601 14.758 -4.080 1.00 . A A . 35 TYR HD1 1 1 4 3037 1 1 35 TYR HD2 H -1.193 17.962 -4.207 1.00 . A A . 35 TYR HD2 1 1 4 3038 1 1 35 TYR HE1 H 3.434 16.362 -3.744 1.00 . A A . 35 TYR HE1 1 1 4 3039 1 1 35 TYR HE2 H 0.631 19.574 -3.871 1.00 . A A . 35 TYR HE2 1 1 4 3040 1 1 35 TYR HH H 3.333 19.071 -2.660 1.00 . A A . 35 TYR HH 1 1 4 3041 1 1 35 TYR N N -0.536 13.448 -2.790 1.00 . A A . 35 TYR N 1 1 4 3042 1 1 35 TYR O O -3.117 12.948 -3.796 1.00 . A A . 35 TYR O 1 1 4 3043 1 1 35 TYR OH O 3.166 18.967 -3.599 1.00 . A A . 35 TYR OH 1 1 4 3044 1 1 36 GLY C C -5.460 12.928 -2.467 1.00 . A A . 36 GLY C 1 1 4 3045 1 1 36 GLY CA C -5.226 14.394 -2.787 1.00 . A A . 36 GLY CA 1 1 4 3046 1 1 36 GLY H H -3.613 15.612 -2.281 1.00 . A A . 36 GLY H 1 1 4 3047 1 1 36 GLY HA2 H -5.793 14.996 -2.089 1.00 . A A . 36 GLY HA2 1 1 4 3048 1 1 36 GLY HA3 H -5.568 14.601 -3.778 1.00 . A A . 36 GLY HA3 1 1 4 3049 1 1 36 GLY N N -3.846 14.777 -2.708 1.00 . A A . 36 GLY N 1 1 4 3050 1 1 36 GLY O O -6.293 12.276 -3.097 1.00 . A A . 36 GLY O 1 1 4 3051 1 1 37 ALA C C -4.259 10.763 0.283 1.00 . A A . 37 ALA C 1 1 4 3052 1 1 37 ALA CA C -4.863 11.013 -1.096 1.00 . A A . 37 ALA CA 1 1 4 3053 1 1 37 ALA CB C -4.209 10.117 -2.137 1.00 . A A . 37 ALA CB 1 1 4 3054 1 1 37 ALA H H -4.065 12.972 -1.021 1.00 . A A . 37 ALA H 1 1 4 3055 1 1 37 ALA HA H -5.917 10.780 -1.066 1.00 . A A . 37 ALA HA 1 1 4 3056 1 1 37 ALA HB1 H -4.208 10.619 -3.094 1.00 . A A . 37 ALA HB1 1 1 4 3057 1 1 37 ALA HB2 H -4.762 9.193 -2.217 1.00 . A A . 37 ALA HB2 1 1 4 3058 1 1 37 ALA HB3 H -3.193 9.904 -1.841 1.00 . A A . 37 ALA HB3 1 1 4 3059 1 1 37 ALA N N -4.724 12.408 -1.485 1.00 . A A . 37 ALA N 1 1 4 3060 1 1 37 ALA O O -3.068 10.483 0.414 1.00 . A A . 37 ALA O 1 1 4 3061 1 1 38 CYS C C -4.816 9.214 3.102 1.00 . A A . 38 CYS C 1 1 4 3062 1 1 38 CYS CA C -4.682 10.679 2.697 1.00 . A A . 38 CYS CA 1 1 4 3063 1 1 38 CYS CB C -5.508 11.557 3.642 1.00 . A A . 38 CYS CB 1 1 4 3064 1 1 38 CYS H H -6.033 11.124 1.130 1.00 . A A . 38 CYS H 1 1 4 3065 1 1 38 CYS HA H -3.643 10.965 2.774 1.00 . A A . 38 CYS HA 1 1 4 3066 1 1 38 CYS HB2 H -6.549 11.520 3.349 1.00 . A A . 38 CYS HB2 1 1 4 3067 1 1 38 CYS HB3 H -5.412 11.175 4.648 1.00 . A A . 38 CYS HB3 1 1 4 3068 1 1 38 CYS N N -5.101 10.884 1.310 1.00 . A A . 38 CYS N 1 1 4 3069 1 1 38 CYS O O -5.325 8.391 2.340 1.00 . A A . 38 CYS O 1 1 4 3070 1 1 38 CYS SG S -4.998 13.308 3.664 1.00 . A A . 38 CYS SG 1 1 4 3071 1 1 39 ALA C C -5.846 7.144 5.209 1.00 . A A . 39 ALA C 1 1 4 3072 1 1 39 ALA CA C -4.429 7.537 4.824 1.00 . A A . 39 ALA CA 1 1 4 3073 1 1 39 ALA CB C -3.486 7.359 6.003 1.00 . A A . 39 ALA CB 1 1 4 3074 1 1 39 ALA H H -3.962 9.601 4.865 1.00 . A A . 39 ALA H 1 1 4 3075 1 1 39 ALA HA H -4.114 6.879 4.043 1.00 . A A . 39 ALA HA 1 1 4 3076 1 1 39 ALA HB1 H -2.762 8.161 6.009 1.00 . A A . 39 ALA HB1 1 1 4 3077 1 1 39 ALA HB2 H -2.974 6.412 5.913 1.00 . A A . 39 ALA HB2 1 1 4 3078 1 1 39 ALA HB3 H -4.052 7.378 6.923 1.00 . A A . 39 ALA HB3 1 1 4 3079 1 1 39 ALA N N -4.357 8.899 4.308 1.00 . A A . 39 ALA N 1 1 4 3080 1 1 39 ALA O O -6.516 7.841 5.972 1.00 . A A . 39 ALA O 1 1 4 3081 1 1 40 ALA C C -7.651 4.776 6.311 1.00 . A A . 40 ALA C 1 1 4 3082 1 1 40 ALA CA C -7.617 5.489 4.963 1.00 . A A . 40 ALA CA 1 1 4 3083 1 1 40 ALA CB C -8.066 4.548 3.855 1.00 . A A . 40 ALA CB 1 1 4 3084 1 1 40 ALA H H -5.693 5.497 4.089 1.00 . A A . 40 ALA H 1 1 4 3085 1 1 40 ALA HA H -8.299 6.325 4.993 1.00 . A A . 40 ALA HA 1 1 4 3086 1 1 40 ALA HB1 H -7.243 3.910 3.568 1.00 . A A . 40 ALA HB1 1 1 4 3087 1 1 40 ALA HB2 H -8.387 5.126 3.001 1.00 . A A . 40 ALA HB2 1 1 4 3088 1 1 40 ALA HB3 H -8.887 3.941 4.208 1.00 . A A . 40 ALA HB3 1 1 4 3089 1 1 40 ALA N N -6.285 6.006 4.681 1.00 . A A . 40 ALA N 1 1 4 3090 1 1 40 ALA O O -6.680 4.134 6.714 1.00 . A A . 40 ALA O 1 1 4 3091 1 1 41 LYS C C -8.871 2.754 8.229 1.00 . A A . 41 LYS C 1 1 4 3092 1 1 41 LYS CA C -8.935 4.278 8.317 1.00 . A A . 41 LYS CA 1 1 4 3093 1 1 41 LYS CB C -10.267 4.704 8.934 1.00 . A A . 41 LYS CB 1 1 4 3094 1 1 41 LYS CD C -9.380 6.690 10.193 1.00 . A A . 41 LYS CD 1 1 4 3095 1 1 41 LYS CE C -8.218 6.756 11.171 1.00 . A A . 41 LYS CE 1 1 4 3096 1 1 41 LYS CG C -10.123 5.367 10.295 1.00 . A A . 41 LYS CG 1 1 4 3097 1 1 41 LYS H H -9.508 5.430 6.637 1.00 . A A . 41 LYS H 1 1 4 3098 1 1 41 LYS HA H -8.133 4.622 8.950 1.00 . A A . 41 LYS HA 1 1 4 3099 1 1 41 LYS HB2 H -10.753 5.402 8.267 1.00 . A A . 41 LYS HB2 1 1 4 3100 1 1 41 LYS HB3 H -10.895 3.832 9.046 1.00 . A A . 41 LYS HB3 1 1 4 3101 1 1 41 LYS HD2 H -8.997 6.802 9.189 1.00 . A A . 41 LYS HD2 1 1 4 3102 1 1 41 LYS HD3 H -10.066 7.495 10.410 1.00 . A A . 41 LYS HD3 1 1 4 3103 1 1 41 LYS HE2 H -7.805 7.753 11.154 1.00 . A A . 41 LYS HE2 1 1 4 3104 1 1 41 LYS HE3 H -8.585 6.537 12.162 1.00 . A A . 41 LYS HE3 1 1 4 3105 1 1 41 LYS HG2 H -11.106 5.548 10.702 1.00 . A A . 41 LYS HG2 1 1 4 3106 1 1 41 LYS HG3 H -9.576 4.704 10.950 1.00 . A A . 41 LYS HG3 1 1 4 3107 1 1 41 LYS HZ1 H -6.813 5.945 9.854 1.00 . A A . 41 LYS HZ1 1 1 4 3108 1 1 41 LYS HZ2 H -7.506 4.810 10.900 1.00 . A A . 41 LYS HZ2 1 1 4 3109 1 1 41 LYS HZ3 H -6.340 5.891 11.478 1.00 . A A . 41 LYS HZ3 1 1 4 3110 1 1 41 LYS N N -8.771 4.900 7.009 1.00 . A A . 41 LYS N 1 1 4 3111 1 1 41 LYS NZ N -7.144 5.783 10.826 1.00 . A A . 41 LYS NZ 1 1 4 3112 1 1 41 LYS O O -8.406 2.090 9.156 1.00 . A A . 41 LYS O 1 1 4 3113 1 1 42 ARG C C -8.068 0.215 6.387 1.00 . A A . 42 ARG C 1 1 4 3114 1 1 42 ARG CA C -9.388 0.757 6.939 1.00 . A A . 42 ARG CA 1 1 4 3115 1 1 42 ARG CB C -10.549 0.361 6.020 1.00 . A A . 42 ARG CB 1 1 4 3116 1 1 42 ARG CD C -11.776 -1.179 7.588 1.00 . A A . 42 ARG CD 1 1 4 3117 1 1 42 ARG CG C -11.848 0.099 6.766 1.00 . A A . 42 ARG CG 1 1 4 3118 1 1 42 ARG CZ C -12.667 -1.895 9.776 1.00 . A A . 42 ARG CZ 1 1 4 3119 1 1 42 ARG H H -9.740 2.781 6.434 1.00 . A A . 42 ARG H 1 1 4 3120 1 1 42 ARG HA H -9.558 0.315 7.908 1.00 . A A . 42 ARG HA 1 1 4 3121 1 1 42 ARG HB2 H -10.724 1.157 5.307 1.00 . A A . 42 ARG HB2 1 1 4 3122 1 1 42 ARG HB3 H -10.279 -0.537 5.484 1.00 . A A . 42 ARG HB3 1 1 4 3123 1 1 42 ARG HD2 H -12.447 -1.905 7.155 1.00 . A A . 42 ARG HD2 1 1 4 3124 1 1 42 ARG HD3 H -10.765 -1.559 7.557 1.00 . A A . 42 ARG HD3 1 1 4 3125 1 1 42 ARG HE H -12.025 -0.053 9.346 1.00 . A A . 42 ARG HE 1 1 4 3126 1 1 42 ARG HG2 H -12.044 0.929 7.428 1.00 . A A . 42 ARG HG2 1 1 4 3127 1 1 42 ARG HG3 H -12.651 0.011 6.048 1.00 . A A . 42 ARG HG3 1 1 4 3128 1 1 42 ARG HH11 H -12.610 -3.361 8.383 1.00 . A A . 42 ARG HH11 1 1 4 3129 1 1 42 ARG HH12 H -13.236 -3.828 9.927 1.00 . A A . 42 ARG HH12 1 1 4 3130 1 1 42 ARG HH21 H -12.850 -0.673 11.375 1.00 . A A . 42 ARG HH21 1 1 4 3131 1 1 42 ARG HH22 H -13.373 -2.305 11.624 1.00 . A A . 42 ARG HH22 1 1 4 3132 1 1 42 ARG N N -9.364 2.204 7.126 1.00 . A A . 42 ARG N 1 1 4 3133 1 1 42 ARG NE N -12.156 -0.953 8.982 1.00 . A A . 42 ARG NE 1 1 4 3134 1 1 42 ARG NH1 N -12.853 -3.129 9.324 1.00 . A A . 42 ARG NH1 1 1 4 3135 1 1 42 ARG NH2 N -12.989 -1.600 11.029 1.00 . A A . 42 ARG NH2 1 1 4 3136 1 1 42 ARG O O -7.233 -0.286 7.139 1.00 . A A . 42 ARG O 1 1 4 3137 1 1 43 ASN C C -5.572 0.828 4.435 1.00 . A A . 43 ASN C 1 1 4 3138 1 1 43 ASN CA C -6.696 -0.210 4.420 1.00 . A A . 43 ASN CA 1 1 4 3139 1 1 43 ASN CB C -7.059 -0.659 2.996 1.00 . A A . 43 ASN CB 1 1 4 3140 1 1 43 ASN CG C -6.105 -0.166 1.933 1.00 . A A . 43 ASN CG 1 1 4 3141 1 1 43 ASN H H -8.603 0.686 4.513 1.00 . A A . 43 ASN H 1 1 4 3142 1 1 43 ASN HA H -6.366 -1.073 4.978 1.00 . A A . 43 ASN HA 1 1 4 3143 1 1 43 ASN HB2 H -7.065 -1.734 2.964 1.00 . A A . 43 ASN HB2 1 1 4 3144 1 1 43 ASN HB3 H -8.048 -0.296 2.759 1.00 . A A . 43 ASN HB3 1 1 4 3145 1 1 43 ASN HD21 H -7.226 1.458 1.716 1.00 . A A . 43 ASN HD21 1 1 4 3146 1 1 43 ASN HD22 H -5.828 1.366 0.697 1.00 . A A . 43 ASN HD22 1 1 4 3147 1 1 43 ASN N N -7.897 0.292 5.069 1.00 . A A . 43 ASN N 1 1 4 3148 1 1 43 ASN ND2 N -6.414 1.004 1.393 1.00 . A A . 43 ASN ND2 1 1 4 3149 1 1 43 ASN O O -5.586 1.797 3.676 1.00 . A A . 43 ASN O 1 1 4 3150 1 1 43 ASN OD1 O -5.117 -0.823 1.600 1.00 . A A . 43 ASN OD1 1 1 4 3151 1 1 44 ASN C C -2.288 0.815 6.136 1.00 . A A . 44 ASN C 1 1 4 3152 1 1 44 ASN CA C -3.466 1.518 5.456 1.00 . A A . 44 ASN CA 1 1 4 3153 1 1 44 ASN CB C -3.871 2.756 6.259 1.00 . A A . 44 ASN CB 1 1 4 3154 1 1 44 ASN CG C -4.299 2.413 7.674 1.00 . A A . 44 ASN CG 1 1 4 3155 1 1 44 ASN H H -4.656 -0.170 5.904 1.00 . A A . 44 ASN H 1 1 4 3156 1 1 44 ASN HA H -3.165 1.823 4.465 1.00 . A A . 44 ASN HA 1 1 4 3157 1 1 44 ASN HB2 H -3.033 3.437 6.311 1.00 . A A . 44 ASN HB2 1 1 4 3158 1 1 44 ASN HB3 H -4.696 3.243 5.761 1.00 . A A . 44 ASN HB3 1 1 4 3159 1 1 44 ASN HD21 H -3.835 4.248 8.285 1.00 . A A . 44 ASN HD21 1 1 4 3160 1 1 44 ASN HD22 H -4.454 3.186 9.499 1.00 . A A . 44 ASN HD22 1 1 4 3161 1 1 44 ASN N N -4.604 0.615 5.323 1.00 . A A . 44 ASN N 1 1 4 3162 1 1 44 ASN ND2 N -4.185 3.380 8.577 1.00 . A A . 44 ASN ND2 1 1 4 3163 1 1 44 ASN O O -2.321 0.570 7.342 1.00 . A A . 44 ASN O 1 1 4 3164 1 1 44 ASN OD1 O -4.727 1.293 7.951 1.00 . A A . 44 ASN OD1 1 1 4 3165 1 1 45 PHE C C 1.090 0.789 6.054 1.00 . A A . 45 PHE C 1 1 4 3166 1 1 45 PHE CA C -0.078 -0.180 5.919 1.00 . A A . 45 PHE CA 1 1 4 3167 1 1 45 PHE CB C 0.319 -1.360 5.036 1.00 . A A . 45 PHE CB 1 1 4 3168 1 1 45 PHE CD1 C -1.799 -2.413 4.208 1.00 . A A . 45 PHE CD1 1 1 4 3169 1 1 45 PHE CD2 C -0.559 -3.545 5.901 1.00 . A A . 45 PHE CD2 1 1 4 3170 1 1 45 PHE CE1 C -2.747 -3.419 4.224 1.00 . A A . 45 PHE CE1 1 1 4 3171 1 1 45 PHE CE2 C -1.502 -4.557 5.921 1.00 . A A . 45 PHE CE2 1 1 4 3172 1 1 45 PHE CG C -0.697 -2.464 5.044 1.00 . A A . 45 PHE CG 1 1 4 3173 1 1 45 PHE CZ C -2.599 -4.493 5.081 1.00 . A A . 45 PHE CZ 1 1 4 3174 1 1 45 PHE H H -1.265 0.702 4.411 1.00 . A A . 45 PHE H 1 1 4 3175 1 1 45 PHE HA H -0.341 -0.550 6.902 1.00 . A A . 45 PHE HA 1 1 4 3176 1 1 45 PHE HB2 H 0.437 -1.018 4.016 1.00 . A A . 45 PHE HB2 1 1 4 3177 1 1 45 PHE HB3 H 1.256 -1.763 5.388 1.00 . A A . 45 PHE HB3 1 1 4 3178 1 1 45 PHE HD1 H -1.916 -1.575 3.536 1.00 . A A . 45 PHE HD1 1 1 4 3179 1 1 45 PHE HD2 H 0.297 -3.596 6.558 1.00 . A A . 45 PHE HD2 1 1 4 3180 1 1 45 PHE HE1 H -3.602 -3.365 3.568 1.00 . A A . 45 PHE HE1 1 1 4 3181 1 1 45 PHE HE2 H -1.384 -5.394 6.592 1.00 . A A . 45 PHE HE2 1 1 4 3182 1 1 45 PHE HZ H -3.337 -5.281 5.095 1.00 . A A . 45 PHE HZ 1 1 4 3183 1 1 45 PHE N N -1.248 0.491 5.367 1.00 . A A . 45 PHE N 1 1 4 3184 1 1 45 PHE O O 1.351 1.592 5.158 1.00 . A A . 45 PHE O 1 1 4 3185 1 1 46 LYS C C 4.047 1.358 6.429 1.00 . A A . 46 LYS C 1 1 4 3186 1 1 46 LYS CA C 2.926 1.583 7.442 1.00 . A A . 46 LYS CA 1 1 4 3187 1 1 46 LYS CB C 3.454 1.358 8.860 1.00 . A A . 46 LYS CB 1 1 4 3188 1 1 46 LYS CD C 4.679 -0.302 10.298 1.00 . A A . 46 LYS CD 1 1 4 3189 1 1 46 LYS CE C 5.704 -1.349 9.891 1.00 . A A . 46 LYS CE 1 1 4 3190 1 1 46 LYS CG C 3.620 -0.108 9.223 1.00 . A A . 46 LYS CG 1 1 4 3191 1 1 46 LYS H H 1.525 0.053 7.861 1.00 . A A . 46 LYS H 1 1 4 3192 1 1 46 LYS HA H 2.584 2.603 7.356 1.00 . A A . 46 LYS HA 1 1 4 3193 1 1 46 LYS HB2 H 4.415 1.842 8.955 1.00 . A A . 46 LYS HB2 1 1 4 3194 1 1 46 LYS HB3 H 2.766 1.806 9.563 1.00 . A A . 46 LYS HB3 1 1 4 3195 1 1 46 LYS HD2 H 5.185 0.636 10.465 1.00 . A A . 46 LYS HD2 1 1 4 3196 1 1 46 LYS HD3 H 4.196 -0.620 11.211 1.00 . A A . 46 LYS HD3 1 1 4 3197 1 1 46 LYS HE2 H 5.288 -1.953 9.099 1.00 . A A . 46 LYS HE2 1 1 4 3198 1 1 46 LYS HE3 H 6.590 -0.845 9.532 1.00 . A A . 46 LYS HE3 1 1 4 3199 1 1 46 LYS HG2 H 2.677 -0.487 9.589 1.00 . A A . 46 LYS HG2 1 1 4 3200 1 1 46 LYS HG3 H 3.910 -0.656 8.338 1.00 . A A . 46 LYS HG3 1 1 4 3201 1 1 46 LYS HZ1 H 6.115 -1.684 11.912 1.00 . A A . 46 LYS HZ1 1 1 4 3202 1 1 46 LYS HZ2 H 7.010 -2.660 10.860 1.00 . A A . 46 LYS HZ2 1 1 4 3203 1 1 46 LYS HZ3 H 5.375 -2.993 11.137 1.00 . A A . 46 LYS HZ3 1 1 4 3204 1 1 46 LYS N N 1.787 0.712 7.183 1.00 . A A . 46 LYS N 1 1 4 3205 1 1 46 LYS NZ N 6.077 -2.233 11.029 1.00 . A A . 46 LYS NZ 1 1 4 3206 1 1 46 LYS O O 4.957 2.178 6.311 1.00 . A A . 46 LYS O 1 1 4 3207 1 1 47 SER C C 4.422 -0.887 3.567 1.00 . A A . 47 SER C 1 1 4 3208 1 1 47 SER CA C 4.996 -0.058 4.701 1.00 . A A . 47 SER CA 1 1 4 3209 1 1 47 SER CB C 6.167 -0.808 5.338 1.00 . A A . 47 SER CB 1 1 4 3210 1 1 47 SER H H 3.232 -0.371 5.822 1.00 . A A . 47 SER H 1 1 4 3211 1 1 47 SER HA H 5.357 0.876 4.301 1.00 . A A . 47 SER HA 1 1 4 3212 1 1 47 SER HB2 H 6.438 -1.648 4.711 1.00 . A A . 47 SER HB2 1 1 4 3213 1 1 47 SER HB3 H 7.008 -0.139 5.426 1.00 . A A . 47 SER HB3 1 1 4 3214 1 1 47 SER HG H 5.733 -0.558 7.232 1.00 . A A . 47 SER HG 1 1 4 3215 1 1 47 SER N N 3.980 0.250 5.695 1.00 . A A . 47 SER N 1 1 4 3216 1 1 47 SER O O 3.539 -1.720 3.774 1.00 . A A . 47 SER O 1 1 4 3217 1 1 47 SER OG O 5.826 -1.295 6.624 1.00 . A A . 47 SER OG 1 1 4 3218 1 1 48 ALA C C 4.703 -2.900 1.418 1.00 . A A . 48 ALA C 1 1 4 3219 1 1 48 ALA CA C 4.486 -1.414 1.204 1.00 . A A . 48 ALA CA 1 1 4 3220 1 1 48 ALA CB C 5.194 -0.940 -0.057 1.00 . A A . 48 ALA CB 1 1 4 3221 1 1 48 ALA H H 5.658 -0.005 2.268 1.00 . A A . 48 ALA H 1 1 4 3222 1 1 48 ALA HA H 3.424 -1.233 1.096 1.00 . A A . 48 ALA HA 1 1 4 3223 1 1 48 ALA HB1 H 4.556 -0.251 -0.592 1.00 . A A . 48 ALA HB1 1 1 4 3224 1 1 48 ALA HB2 H 5.413 -1.789 -0.688 1.00 . A A . 48 ALA HB2 1 1 4 3225 1 1 48 ALA HB3 H 6.115 -0.443 0.210 1.00 . A A . 48 ALA HB3 1 1 4 3226 1 1 48 ALA N N 4.944 -0.670 2.368 1.00 . A A . 48 ALA N 1 1 4 3227 1 1 48 ALA O O 3.854 -3.717 1.065 1.00 . A A . 48 ALA O 1 1 4 3228 1 1 49 GLU C C 5.024 -5.171 3.233 1.00 . A A . 49 GLU C 1 1 4 3229 1 1 49 GLU CA C 6.121 -4.633 2.329 1.00 . A A . 49 GLU CA 1 1 4 3230 1 1 49 GLU CB C 7.486 -4.770 3.007 1.00 . A A . 49 GLU CB 1 1 4 3231 1 1 49 GLU CD C 8.677 -3.966 0.928 1.00 . A A . 49 GLU CD 1 1 4 3232 1 1 49 GLU CG C 8.630 -5.002 2.033 1.00 . A A . 49 GLU CG 1 1 4 3233 1 1 49 GLU H H 6.458 -2.549 2.315 1.00 . A A . 49 GLU H 1 1 4 3234 1 1 49 GLU HA H 6.118 -5.185 1.401 1.00 . A A . 49 GLU HA 1 1 4 3235 1 1 49 GLU HB2 H 7.692 -3.866 3.562 1.00 . A A . 49 GLU HB2 1 1 4 3236 1 1 49 GLU HB3 H 7.452 -5.603 3.693 1.00 . A A . 49 GLU HB3 1 1 4 3237 1 1 49 GLU HG2 H 9.562 -4.967 2.577 1.00 . A A . 49 GLU HG2 1 1 4 3238 1 1 49 GLU HG3 H 8.513 -5.979 1.586 1.00 . A A . 49 GLU HG3 1 1 4 3239 1 1 49 GLU N N 5.829 -3.244 2.033 1.00 . A A . 49 GLU N 1 1 4 3240 1 1 49 GLU O O 4.571 -6.305 3.084 1.00 . A A . 49 GLU O 1 1 4 3241 1 1 49 GLU OE1 O 8.589 -2.760 1.240 1.00 . A A . 49 GLU OE1 1 1 4 3242 1 1 49 GLU OE2 O 8.803 -4.359 -0.251 1.00 . A A . 49 GLU OE2 1 1 4 3243 1 1 50 ASP C C 2.209 -4.870 4.306 1.00 . A A . 50 ASP C 1 1 4 3244 1 1 50 ASP CA C 3.515 -4.675 5.072 1.00 . A A . 50 ASP CA 1 1 4 3245 1 1 50 ASP CB C 3.348 -3.601 6.147 1.00 . A A . 50 ASP CB 1 1 4 3246 1 1 50 ASP CG C 3.236 -4.191 7.540 1.00 . A A . 50 ASP CG 1 1 4 3247 1 1 50 ASP H H 4.975 -3.420 4.204 1.00 . A A . 50 ASP H 1 1 4 3248 1 1 50 ASP HA H 3.783 -5.609 5.545 1.00 . A A . 50 ASP HA 1 1 4 3249 1 1 50 ASP HB2 H 4.203 -2.941 6.125 1.00 . A A . 50 ASP HB2 1 1 4 3250 1 1 50 ASP HB3 H 2.454 -3.033 5.944 1.00 . A A . 50 ASP HB3 1 1 4 3251 1 1 50 ASP N N 4.583 -4.319 4.155 1.00 . A A . 50 ASP N 1 1 4 3252 1 1 50 ASP O O 1.479 -5.831 4.548 1.00 . A A . 50 ASP O 1 1 4 3253 1 1 50 ASP OD1 O 4.229 -4.780 8.017 1.00 . A A . 50 ASP OD1 1 1 4 3254 1 1 50 ASP OD2 O 2.154 -4.068 8.152 1.00 . A A . 50 ASP OD2 1 1 4 3255 1 1 51 CYS C C 0.720 -5.346 1.749 1.00 . A A . 51 CYS C 1 1 4 3256 1 1 51 CYS CA C 0.703 -4.059 2.573 1.00 . A A . 51 CYS CA 1 1 4 3257 1 1 51 CYS CB C 0.579 -2.830 1.659 1.00 . A A . 51 CYS CB 1 1 4 3258 1 1 51 CYS H H 2.538 -3.207 3.205 1.00 . A A . 51 CYS H 1 1 4 3259 1 1 51 CYS HA H -0.140 -4.084 3.251 1.00 . A A . 51 CYS HA 1 1 4 3260 1 1 51 CYS HB2 H 0.129 -2.022 2.220 1.00 . A A . 51 CYS HB2 1 1 4 3261 1 1 51 CYS HB3 H 1.569 -2.531 1.340 1.00 . A A . 51 CYS HB3 1 1 4 3262 1 1 51 CYS N N 1.920 -3.960 3.369 1.00 . A A . 51 CYS N 1 1 4 3263 1 1 51 CYS O O -0.190 -6.169 1.846 1.00 . A A . 51 CYS O 1 1 4 3264 1 1 51 CYS SG S -0.434 -3.080 0.159 1.00 . A A . 51 CYS SG 1 1 4 3265 1 1 52 LEU C C 1.828 -7.985 0.940 1.00 . A A . 52 LEU C 1 1 4 3266 1 1 52 LEU CA C 1.911 -6.707 0.111 1.00 . A A . 52 LEU CA 1 1 4 3267 1 1 52 LEU CB C 3.242 -6.672 -0.640 1.00 . A A . 52 LEU CB 1 1 4 3268 1 1 52 LEU CD1 C 4.699 -5.673 -2.415 1.00 . A A . 52 LEU CD1 1 1 4 3269 1 1 52 LEU CD2 C 2.253 -5.970 -2.839 1.00 . A A . 52 LEU CD2 1 1 4 3270 1 1 52 LEU CG C 3.314 -5.665 -1.789 1.00 . A A . 52 LEU CG 1 1 4 3271 1 1 52 LEU H H 2.466 -4.832 0.923 1.00 . A A . 52 LEU H 1 1 4 3272 1 1 52 LEU HA H 1.103 -6.703 -0.606 1.00 . A A . 52 LEU HA 1 1 4 3273 1 1 52 LEU HB2 H 4.025 -6.436 0.067 1.00 . A A . 52 LEU HB2 1 1 4 3274 1 1 52 LEU HB3 H 3.430 -7.655 -1.043 1.00 . A A . 52 LEU HB3 1 1 4 3275 1 1 52 LEU HD11 H 4.826 -6.576 -2.994 1.00 . A A . 52 LEU HD11 1 1 4 3276 1 1 52 LEU HD12 H 5.446 -5.636 -1.637 1.00 . A A . 52 LEU HD12 1 1 4 3277 1 1 52 LEU HD13 H 4.808 -4.814 -3.060 1.00 . A A . 52 LEU HD13 1 1 4 3278 1 1 52 LEU HD21 H 2.731 -6.296 -3.751 1.00 . A A . 52 LEU HD21 1 1 4 3279 1 1 52 LEU HD22 H 1.675 -5.081 -3.035 1.00 . A A . 52 LEU HD22 1 1 4 3280 1 1 52 LEU HD23 H 1.600 -6.750 -2.477 1.00 . A A . 52 LEU HD23 1 1 4 3281 1 1 52 LEU HG H 3.129 -4.674 -1.400 1.00 . A A . 52 LEU HG 1 1 4 3282 1 1 52 LEU N N 1.768 -5.519 0.949 1.00 . A A . 52 LEU N 1 1 4 3283 1 1 52 LEU O O 1.205 -8.961 0.532 1.00 . A A . 52 LEU O 1 1 4 3284 1 1 53 ARG C C 1.026 -9.523 3.367 1.00 . A A . 53 ARG C 1 1 4 3285 1 1 53 ARG CA C 2.451 -9.141 2.977 1.00 . A A . 53 ARG CA 1 1 4 3286 1 1 53 ARG CB C 3.278 -8.863 4.232 1.00 . A A . 53 ARG CB 1 1 4 3287 1 1 53 ARG CD C 4.303 -9.764 6.340 1.00 . A A . 53 ARG CD 1 1 4 3288 1 1 53 ARG CG C 3.554 -10.102 5.061 1.00 . A A . 53 ARG CG 1 1 4 3289 1 1 53 ARG CZ C 5.944 -8.072 7.061 1.00 . A A . 53 ARG CZ 1 1 4 3290 1 1 53 ARG H H 2.943 -7.173 2.386 1.00 . A A . 53 ARG H 1 1 4 3291 1 1 53 ARG HA H 2.898 -9.962 2.438 1.00 . A A . 53 ARG HA 1 1 4 3292 1 1 53 ARG HB2 H 4.225 -8.434 3.937 1.00 . A A . 53 ARG HB2 1 1 4 3293 1 1 53 ARG HB3 H 2.747 -8.153 4.849 1.00 . A A . 53 ARG HB3 1 1 4 3294 1 1 53 ARG HD2 H 3.608 -9.335 7.045 1.00 . A A . 53 ARG HD2 1 1 4 3295 1 1 53 ARG HD3 H 4.717 -10.673 6.750 1.00 . A A . 53 ARG HD3 1 1 4 3296 1 1 53 ARG HE H 5.717 -8.719 5.187 1.00 . A A . 53 ARG HE 1 1 4 3297 1 1 53 ARG HG2 H 2.614 -10.567 5.318 1.00 . A A . 53 ARG HG2 1 1 4 3298 1 1 53 ARG HG3 H 4.149 -10.787 4.475 1.00 . A A . 53 ARG HG3 1 1 4 3299 1 1 53 ARG HH11 H 4.793 -8.812 8.551 1.00 . A A . 53 ARG HH11 1 1 4 3300 1 1 53 ARG HH12 H 5.951 -7.618 9.030 1.00 . A A . 53 ARG HH12 1 1 4 3301 1 1 53 ARG HH21 H 7.238 -7.147 5.814 1.00 . A A . 53 ARG HH21 1 1 4 3302 1 1 53 ARG HH22 H 7.340 -6.671 7.477 1.00 . A A . 53 ARG HH22 1 1 4 3303 1 1 53 ARG N N 2.458 -7.977 2.107 1.00 . A A . 53 ARG N 1 1 4 3304 1 1 53 ARG NE N 5.387 -8.813 6.105 1.00 . A A . 53 ARG NE 1 1 4 3305 1 1 53 ARG NH1 N 5.528 -8.175 8.317 1.00 . A A . 53 ARG NH1 1 1 4 3306 1 1 53 ARG NH2 N 6.921 -7.228 6.760 1.00 . A A . 53 ARG NH2 1 1 4 3307 1 1 53 ARG O O 0.622 -10.677 3.228 1.00 . A A . 53 ARG O 1 1 4 3308 1 1 54 THR C C -2.063 -8.797 3.081 1.00 . A A . 54 THR C 1 1 4 3309 1 1 54 THR CA C -1.108 -8.777 4.273 1.00 . A A . 54 THR CA 1 1 4 3310 1 1 54 THR CB C -1.542 -7.693 5.259 1.00 . A A . 54 THR CB 1 1 4 3311 1 1 54 THR CG2 C -2.823 -8.032 5.993 1.00 . A A . 54 THR CG2 1 1 4 3312 1 1 54 THR H H 0.653 -7.647 3.942 1.00 . A A . 54 THR H 1 1 4 3313 1 1 54 THR HA H -1.148 -9.735 4.769 1.00 . A A . 54 THR HA 1 1 4 3314 1 1 54 THR HB H -1.706 -6.772 4.716 1.00 . A A . 54 THR HB 1 1 4 3315 1 1 54 THR HG1 H -0.498 -8.209 6.836 1.00 . A A . 54 THR HG1 1 1 4 3316 1 1 54 THR HG21 H -3.662 -7.593 5.474 1.00 . A A . 54 THR HG21 1 1 4 3317 1 1 54 THR HG22 H -2.776 -7.640 6.997 1.00 . A A . 54 THR HG22 1 1 4 3318 1 1 54 THR HG23 H -2.943 -9.105 6.030 1.00 . A A . 54 THR HG23 1 1 4 3319 1 1 54 THR N N 0.272 -8.547 3.856 1.00 . A A . 54 THR N 1 1 4 3320 1 1 54 THR O O -2.783 -9.774 2.865 1.00 . A A . 54 THR O 1 1 4 3321 1 1 54 THR OG1 O -0.536 -7.465 6.231 1.00 . A A . 54 THR OG1 1 1 4 3322 1 1 55 CYS C C -2.504 -8.393 -0.009 1.00 . A A . 55 CYS C 1 1 4 3323 1 1 55 CYS CA C -2.977 -7.567 1.185 1.00 . A A . 55 CYS CA 1 1 4 3324 1 1 55 CYS CB C -3.096 -6.096 0.775 1.00 . A A . 55 CYS CB 1 1 4 3325 1 1 55 CYS H H -1.516 -6.946 2.580 1.00 . A A . 55 CYS H 1 1 4 3326 1 1 55 CYS HA H -3.947 -7.923 1.484 1.00 . A A . 55 CYS HA 1 1 4 3327 1 1 55 CYS HB2 H -2.129 -5.620 0.870 1.00 . A A . 55 CYS HB2 1 1 4 3328 1 1 55 CYS HB3 H -3.414 -6.045 -0.254 1.00 . A A . 55 CYS HB3 1 1 4 3329 1 1 55 CYS N N -2.091 -7.698 2.337 1.00 . A A . 55 CYS N 1 1 4 3330 1 1 55 CYS O O -3.308 -9.048 -0.671 1.00 . A A . 55 CYS O 1 1 4 3331 1 1 55 CYS SG S -4.285 -5.141 1.769 1.00 . A A . 55 CYS SG 1 1 4 3332 1 1 56 GLY C C -0.820 -10.594 -1.253 1.00 . A A . 56 GLY C 1 1 4 3333 1 1 56 GLY CA C -0.674 -9.094 -1.419 1.00 . A A . 56 GLY CA 1 1 4 3334 1 1 56 GLY H H -0.607 -7.805 0.262 1.00 . A A . 56 GLY H 1 1 4 3335 1 1 56 GLY HA2 H -1.198 -8.791 -2.314 1.00 . A A . 56 GLY HA2 1 1 4 3336 1 1 56 GLY HA3 H 0.375 -8.855 -1.533 1.00 . A A . 56 GLY HA3 1 1 4 3337 1 1 56 GLY N N -1.208 -8.350 -0.292 1.00 . A A . 56 GLY N 1 1 4 3338 1 1 56 GLY O O -0.902 -11.096 -0.132 1.00 . A A . 56 GLY O 1 1 4 3339 1 1 57 GLY C C -0.788 -13.394 -3.687 1.00 . A A . 57 GLY C 1 1 4 3340 1 1 57 GLY CA C -0.991 -12.753 -2.329 1.00 . A A . 57 GLY CA 1 1 4 3341 1 1 57 GLY H H -0.784 -10.852 -3.236 1.00 . A A . 57 GLY H 1 1 4 3342 1 1 57 GLY HA2 H -0.260 -13.153 -1.640 1.00 . A A . 57 GLY HA2 1 1 4 3343 1 1 57 GLY HA3 H -1.979 -12.999 -1.971 1.00 . A A . 57 GLY HA3 1 1 4 3344 1 1 57 GLY N N -0.854 -11.308 -2.372 1.00 . A A . 57 GLY N 1 1 4 3345 1 1 57 GLY O O 0.198 -14.098 -3.907 1.00 . A A . 57 GLY O 1 1 4 3346 1 1 58 ALA C C -1.275 -15.179 -5.933 1.00 . A A . 58 ALA C 1 1 4 3347 1 1 58 ALA CA C -1.646 -13.699 -5.953 1.00 . A A . 58 ALA CA 1 1 4 3348 1 1 58 ALA CB C -0.642 -12.913 -6.784 1.00 . A A . 58 ALA CB 1 1 4 3349 1 1 58 ALA H H -2.481 -12.573 -4.366 1.00 . A A . 58 ALA H 1 1 4 3350 1 1 58 ALA HA H -2.617 -13.588 -6.411 1.00 . A A . 58 ALA HA 1 1 4 3351 1 1 58 ALA HB1 H -0.131 -13.583 -7.459 1.00 . A A . 58 ALA HB1 1 1 4 3352 1 1 58 ALA HB2 H 0.077 -12.442 -6.130 1.00 . A A . 58 ALA HB2 1 1 4 3353 1 1 58 ALA HB3 H -1.161 -12.156 -7.354 1.00 . A A . 58 ALA HB3 1 1 4 3354 1 1 58 ALA N N -1.722 -13.145 -4.603 1.00 . A A . 58 ALA N 1 1 4 3355 1 1 58 ALA O O -0.767 -15.675 -6.961 1.00 . A A . 58 ALA O 1 1 4 3356 1 1 58 ALA OXT O -1.496 -15.830 -4.890 1.00 . A A . 58 ALA OXT 1 1 5 3357 1 1 1 ARG C C -8.014 -10.889 0.972 1.00 . A A . 1 ARG C 1 1 5 3358 1 1 1 ARG CA C -7.002 -11.545 0.033 1.00 . A A . 1 ARG CA 1 1 5 3359 1 1 1 ARG CB C -7.011 -10.844 -1.327 1.00 . A A . 1 ARG CB 1 1 5 3360 1 1 1 ARG CD C -8.441 -9.801 -3.107 1.00 . A A . 1 ARG CD 1 1 5 3361 1 1 1 ARG CG C -8.375 -10.834 -1.995 1.00 . A A . 1 ARG CG 1 1 5 3362 1 1 1 ARG CZ C -7.998 -11.032 -5.196 1.00 . A A . 1 ARG CZ 1 1 5 3363 1 1 1 ARG H1 H -6.487 -13.426 -0.622 1.00 . A A . 1 ARG H1 1 1 5 3364 1 1 1 ARG H2 H -8.148 -13.032 -0.804 1.00 . A A . 1 ARG H2 1 1 5 3365 1 1 1 ARG H3 H -7.518 -13.403 0.748 1.00 . A A . 1 ARG H3 1 1 5 3366 1 1 1 ARG HA H -6.017 -11.469 0.464 1.00 . A A . 1 ARG HA 1 1 5 3367 1 1 1 ARG HB2 H -6.689 -9.823 -1.195 1.00 . A A . 1 ARG HB2 1 1 5 3368 1 1 1 ARG HB3 H -6.318 -11.350 -1.983 1.00 . A A . 1 ARG HB3 1 1 5 3369 1 1 1 ARG HD2 H -9.465 -9.704 -3.431 1.00 . A A . 1 ARG HD2 1 1 5 3370 1 1 1 ARG HD3 H -8.094 -8.855 -2.721 1.00 . A A . 1 ARG HD3 1 1 5 3371 1 1 1 ARG HE H -6.726 -9.768 -4.322 1.00 . A A . 1 ARG HE 1 1 5 3372 1 1 1 ARG HG2 H -8.571 -11.810 -2.411 1.00 . A A . 1 ARG HG2 1 1 5 3373 1 1 1 ARG HG3 H -9.126 -10.599 -1.254 1.00 . A A . 1 ARG HG3 1 1 5 3374 1 1 1 ARG HH11 H -9.814 -11.397 -4.381 1.00 . A A . 1 ARG HH11 1 1 5 3375 1 1 1 ARG HH12 H -9.474 -12.250 -5.849 1.00 . A A . 1 ARG HH12 1 1 5 3376 1 1 1 ARG HH21 H -6.282 -10.882 -6.253 1.00 . A A . 1 ARG HH21 1 1 5 3377 1 1 1 ARG HH22 H -7.468 -11.957 -6.913 1.00 . A A . 1 ARG HH22 1 1 5 3378 1 1 1 ARG N N -7.317 -12.981 -0.180 1.00 . A A . 1 ARG N 1 1 5 3379 1 1 1 ARG NE N -7.614 -10.176 -4.252 1.00 . A A . 1 ARG NE 1 1 5 3380 1 1 1 ARG NH1 N -9.194 -11.607 -5.137 1.00 . A A . 1 ARG NH1 1 1 5 3381 1 1 1 ARG NH2 N -7.183 -11.313 -6.203 1.00 . A A . 1 ARG NH2 1 1 5 3382 1 1 1 ARG O O -9.204 -11.204 0.927 1.00 . A A . 1 ARG O 1 1 5 3383 1 1 2 PRO C C -9.417 -8.339 2.097 1.00 . A A . 2 PRO C 1 1 5 3384 1 1 2 PRO CA C -8.437 -9.283 2.797 1.00 . A A . 2 PRO CA 1 1 5 3385 1 1 2 PRO CB C -7.475 -8.501 3.705 1.00 . A A . 2 PRO CB 1 1 5 3386 1 1 2 PRO CD C -6.159 -9.535 1.989 1.00 . A A . 2 PRO CD 1 1 5 3387 1 1 2 PRO CG C -6.110 -9.030 3.400 1.00 . A A . 2 PRO CG 1 1 5 3388 1 1 2 PRO HA H -8.998 -9.989 3.391 1.00 . A A . 2 PRO HA 1 1 5 3389 1 1 2 PRO HB2 H -7.547 -7.447 3.484 1.00 . A A . 2 PRO HB2 1 1 5 3390 1 1 2 PRO HB3 H -7.738 -8.677 4.740 1.00 . A A . 2 PRO HB3 1 1 5 3391 1 1 2 PRO HD2 H -5.927 -8.742 1.294 1.00 . A A . 2 PRO HD2 1 1 5 3392 1 1 2 PRO HD3 H -5.480 -10.365 1.862 1.00 . A A . 2 PRO HD3 1 1 5 3393 1 1 2 PRO HG2 H -5.382 -8.237 3.489 1.00 . A A . 2 PRO HG2 1 1 5 3394 1 1 2 PRO HG3 H -5.872 -9.836 4.077 1.00 . A A . 2 PRO HG3 1 1 5 3395 1 1 2 PRO N N -7.557 -9.970 1.847 1.00 . A A . 2 PRO N 1 1 5 3396 1 1 2 PRO O O -9.038 -7.565 1.220 1.00 . A A . 2 PRO O 1 1 5 3397 1 1 3 ASP C C -11.380 -6.138 1.804 1.00 . A A . 3 ASP C 1 1 5 3398 1 1 3 ASP CA C -11.747 -7.618 1.889 1.00 . A A . 3 ASP CA 1 1 5 3399 1 1 3 ASP CB C -13.036 -7.774 2.702 1.00 . A A . 3 ASP CB 1 1 5 3400 1 1 3 ASP CG C -14.068 -8.629 1.993 1.00 . A A . 3 ASP CG 1 1 5 3401 1 1 3 ASP H H -10.921 -9.085 3.174 1.00 . A A . 3 ASP H 1 1 5 3402 1 1 3 ASP HA H -11.925 -7.983 0.890 1.00 . A A . 3 ASP HA 1 1 5 3403 1 1 3 ASP HB2 H -12.801 -8.236 3.649 1.00 . A A . 3 ASP HB2 1 1 5 3404 1 1 3 ASP HB3 H -13.464 -6.797 2.882 1.00 . A A . 3 ASP HB3 1 1 5 3405 1 1 3 ASP N N -10.685 -8.434 2.481 1.00 . A A . 3 ASP N 1 1 5 3406 1 1 3 ASP O O -11.409 -5.547 0.726 1.00 . A A . 3 ASP O 1 1 5 3407 1 1 3 ASP OD1 O -14.881 -8.067 1.229 1.00 . A A . 3 ASP OD1 1 1 5 3408 1 1 3 ASP OD2 O -14.063 -9.861 2.202 1.00 . A A . 3 ASP OD2 1 1 5 3409 1 1 4 PHE C C -9.673 -3.727 1.978 1.00 . A A . 4 PHE C 1 1 5 3410 1 1 4 PHE CA C -10.750 -4.113 2.989 1.00 . A A . 4 PHE CA 1 1 5 3411 1 1 4 PHE CB C -10.298 -3.713 4.387 1.00 . A A . 4 PHE CB 1 1 5 3412 1 1 4 PHE CD1 C -7.967 -4.590 4.617 1.00 . A A . 4 PHE CD1 1 1 5 3413 1 1 4 PHE CD2 C -9.686 -5.589 5.931 1.00 . A A . 4 PHE CD2 1 1 5 3414 1 1 4 PHE CE1 C -7.040 -5.449 5.170 1.00 . A A . 4 PHE CE1 1 1 5 3415 1 1 4 PHE CE2 C -8.762 -6.452 6.488 1.00 . A A . 4 PHE CE2 1 1 5 3416 1 1 4 PHE CG C -9.299 -4.652 4.989 1.00 . A A . 4 PHE CG 1 1 5 3417 1 1 4 PHE CZ C -7.438 -6.380 6.106 1.00 . A A . 4 PHE CZ 1 1 5 3418 1 1 4 PHE H H -11.097 -6.047 3.779 1.00 . A A . 4 PHE H 1 1 5 3419 1 1 4 PHE HA H -11.654 -3.568 2.753 1.00 . A A . 4 PHE HA 1 1 5 3420 1 1 4 PHE HB2 H -9.840 -2.740 4.334 1.00 . A A . 4 PHE HB2 1 1 5 3421 1 1 4 PHE HB3 H -11.159 -3.673 5.043 1.00 . A A . 4 PHE HB3 1 1 5 3422 1 1 4 PHE HD1 H -7.656 -3.860 3.883 1.00 . A A . 4 PHE HD1 1 1 5 3423 1 1 4 PHE HD2 H -10.723 -5.645 6.228 1.00 . A A . 4 PHE HD2 1 1 5 3424 1 1 4 PHE HE1 H -6.004 -5.393 4.870 1.00 . A A . 4 PHE HE1 1 1 5 3425 1 1 4 PHE HE2 H -9.075 -7.180 7.222 1.00 . A A . 4 PHE HE2 1 1 5 3426 1 1 4 PHE HZ H -6.713 -7.053 6.540 1.00 . A A . 4 PHE HZ 1 1 5 3427 1 1 4 PHE N N -11.076 -5.534 2.943 1.00 . A A . 4 PHE N 1 1 5 3428 1 1 4 PHE O O -9.628 -2.587 1.524 1.00 . A A . 4 PHE O 1 1 5 3429 1 1 5 CYS C C -8.355 -3.952 -0.684 1.00 . A A . 5 CYS C 1 1 5 3430 1 1 5 CYS CA C -7.758 -4.398 0.643 1.00 . A A . 5 CYS CA 1 1 5 3431 1 1 5 CYS CB C -6.871 -5.621 0.432 1.00 . A A . 5 CYS CB 1 1 5 3432 1 1 5 CYS H H -8.906 -5.570 1.985 1.00 . A A . 5 CYS H 1 1 5 3433 1 1 5 CYS HA H -7.151 -3.601 1.038 1.00 . A A . 5 CYS HA 1 1 5 3434 1 1 5 CYS HB2 H -7.478 -6.453 0.110 1.00 . A A . 5 CYS HB2 1 1 5 3435 1 1 5 CYS HB3 H -6.148 -5.390 -0.333 1.00 . A A . 5 CYS HB3 1 1 5 3436 1 1 5 CYS N N -8.817 -4.674 1.611 1.00 . A A . 5 CYS N 1 1 5 3437 1 1 5 CYS O O -7.687 -3.317 -1.500 1.00 . A A . 5 CYS O 1 1 5 3438 1 1 5 CYS SG S -5.954 -6.135 1.917 1.00 . A A . 5 CYS SG 1 1 5 3439 1 1 6 LEU C C -10.831 -2.461 -2.027 1.00 . A A . 6 LEU C 1 1 5 3440 1 1 6 LEU CA C -10.335 -3.905 -2.102 1.00 . A A . 6 LEU CA 1 1 5 3441 1 1 6 LEU CB C -11.522 -4.846 -2.328 1.00 . A A . 6 LEU CB 1 1 5 3442 1 1 6 LEU CD1 C -12.516 -7.143 -2.175 1.00 . A A . 6 LEU CD1 1 1 5 3443 1 1 6 LEU CD2 C -10.240 -6.829 -3.173 1.00 . A A . 6 LEU CD2 1 1 5 3444 1 1 6 LEU CG C -11.227 -6.335 -2.124 1.00 . A A . 6 LEU CG 1 1 5 3445 1 1 6 LEU H H -10.102 -4.769 -0.182 1.00 . A A . 6 LEU H 1 1 5 3446 1 1 6 LEU HA H -9.647 -3.998 -2.930 1.00 . A A . 6 LEU HA 1 1 5 3447 1 1 6 LEU HB2 H -12.313 -4.562 -1.648 1.00 . A A . 6 LEU HB2 1 1 5 3448 1 1 6 LEU HB3 H -11.874 -4.707 -3.338 1.00 . A A . 6 LEU HB3 1 1 5 3449 1 1 6 LEU HD11 H -12.686 -7.487 -3.185 1.00 . A A . 6 LEU HD11 1 1 5 3450 1 1 6 LEU HD12 H -13.342 -6.524 -1.861 1.00 . A A . 6 LEU HD12 1 1 5 3451 1 1 6 LEU HD13 H -12.432 -7.993 -1.515 1.00 . A A . 6 LEU HD13 1 1 5 3452 1 1 6 LEU HD21 H -10.758 -7.445 -3.895 1.00 . A A . 6 LEU HD21 1 1 5 3453 1 1 6 LEU HD22 H -9.467 -7.412 -2.694 1.00 . A A . 6 LEU HD22 1 1 5 3454 1 1 6 LEU HD23 H -9.793 -5.984 -3.675 1.00 . A A . 6 LEU HD23 1 1 5 3455 1 1 6 LEU HG H -10.784 -6.480 -1.149 1.00 . A A . 6 LEU HG 1 1 5 3456 1 1 6 LEU N N -9.626 -4.275 -0.880 1.00 . A A . 6 LEU N 1 1 5 3457 1 1 6 LEU O O -11.342 -1.919 -3.007 1.00 . A A . 6 LEU O 1 1 5 3458 1 1 7 GLU C C -10.203 0.510 -1.399 1.00 . A A . 7 GLU C 1 1 5 3459 1 1 7 GLU CA C -11.110 -0.466 -0.655 1.00 . A A . 7 GLU CA 1 1 5 3460 1 1 7 GLU CB C -11.118 -0.115 0.835 1.00 . A A . 7 GLU CB 1 1 5 3461 1 1 7 GLU CD C -13.478 -0.592 1.592 1.00 . A A . 7 GLU CD 1 1 5 3462 1 1 7 GLU CG C -12.021 -1.007 1.668 1.00 . A A . 7 GLU CG 1 1 5 3463 1 1 7 GLU H H -10.271 -2.332 -0.112 1.00 . A A . 7 GLU H 1 1 5 3464 1 1 7 GLU HA H -12.107 -0.373 -1.041 1.00 . A A . 7 GLU HA 1 1 5 3465 1 1 7 GLU HB2 H -10.112 -0.193 1.219 1.00 . A A . 7 GLU HB2 1 1 5 3466 1 1 7 GLU HB3 H -11.456 0.905 0.947 1.00 . A A . 7 GLU HB3 1 1 5 3467 1 1 7 GLU HG2 H -11.932 -2.021 1.312 1.00 . A A . 7 GLU HG2 1 1 5 3468 1 1 7 GLU HG3 H -11.701 -0.958 2.699 1.00 . A A . 7 GLU HG3 1 1 5 3469 1 1 7 GLU N N -10.680 -1.845 -0.856 1.00 . A A . 7 GLU N 1 1 5 3470 1 1 7 GLU O O -9.005 0.581 -1.126 1.00 . A A . 7 GLU O 1 1 5 3471 1 1 7 GLU OE1 O -13.770 0.597 1.839 1.00 . A A . 7 GLU OE1 1 1 5 3472 1 1 7 GLU OE2 O -14.326 -1.455 1.284 1.00 . A A . 7 GLU OE2 1 1 5 3473 1 1 8 PRO C C -9.571 3.460 -2.279 1.00 . A A . 8 PRO C 1 1 5 3474 1 1 8 PRO CA C -9.990 2.259 -3.125 1.00 . A A . 8 PRO CA 1 1 5 3475 1 1 8 PRO CB C -10.955 2.703 -4.237 1.00 . A A . 8 PRO CB 1 1 5 3476 1 1 8 PRO CD C -12.175 1.274 -2.754 1.00 . A A . 8 PRO CD 1 1 5 3477 1 1 8 PRO CG C -12.117 1.767 -4.169 1.00 . A A . 8 PRO CG 1 1 5 3478 1 1 8 PRO HA H -9.116 1.808 -3.561 1.00 . A A . 8 PRO HA 1 1 5 3479 1 1 8 PRO HB2 H -11.263 3.723 -4.059 1.00 . A A . 8 PRO HB2 1 1 5 3480 1 1 8 PRO HB3 H -10.456 2.638 -5.193 1.00 . A A . 8 PRO HB3 1 1 5 3481 1 1 8 PRO HD2 H -12.759 1.945 -2.140 1.00 . A A . 8 PRO HD2 1 1 5 3482 1 1 8 PRO HD3 H -12.582 0.274 -2.720 1.00 . A A . 8 PRO HD3 1 1 5 3483 1 1 8 PRO HG2 H -13.026 2.293 -4.420 1.00 . A A . 8 PRO HG2 1 1 5 3484 1 1 8 PRO HG3 H -11.961 0.942 -4.847 1.00 . A A . 8 PRO HG3 1 1 5 3485 1 1 8 PRO N N -10.761 1.282 -2.352 1.00 . A A . 8 PRO N 1 1 5 3486 1 1 8 PRO O O -10.263 3.832 -1.330 1.00 . A A . 8 PRO O 1 1 5 3487 1 1 9 PRO C C -8.631 6.537 -2.301 1.00 . A A . 9 PRO C 1 1 5 3488 1 1 9 PRO CA C -7.926 5.251 -1.880 1.00 . A A . 9 PRO CA 1 1 5 3489 1 1 9 PRO CB C -6.435 5.310 -2.255 1.00 . A A . 9 PRO CB 1 1 5 3490 1 1 9 PRO CD C -7.532 3.734 -3.716 1.00 . A A . 9 PRO CD 1 1 5 3491 1 1 9 PRO CG C -6.192 4.171 -3.200 1.00 . A A . 9 PRO CG 1 1 5 3492 1 1 9 PRO HA H -8.026 5.121 -0.813 1.00 . A A . 9 PRO HA 1 1 5 3493 1 1 9 PRO HB2 H -6.219 6.259 -2.725 1.00 . A A . 9 PRO HB2 1 1 5 3494 1 1 9 PRO HB3 H -5.838 5.209 -1.360 1.00 . A A . 9 PRO HB3 1 1 5 3495 1 1 9 PRO HD2 H -7.787 4.277 -4.616 1.00 . A A . 9 PRO HD2 1 1 5 3496 1 1 9 PRO HD3 H -7.533 2.669 -3.899 1.00 . A A . 9 PRO HD3 1 1 5 3497 1 1 9 PRO HG2 H -5.573 4.504 -4.019 1.00 . A A . 9 PRO HG2 1 1 5 3498 1 1 9 PRO HG3 H -5.713 3.358 -2.675 1.00 . A A . 9 PRO HG3 1 1 5 3499 1 1 9 PRO N N -8.428 4.090 -2.610 1.00 . A A . 9 PRO N 1 1 5 3500 1 1 9 PRO O O -9.552 6.508 -3.116 1.00 . A A . 9 PRO O 1 1 5 3501 1 1 10 TYR C C -7.803 10.093 -1.832 1.00 . A A . 10 TYR C 1 1 5 3502 1 1 10 TYR CA C -8.795 8.952 -2.056 1.00 . A A . 10 TYR CA 1 1 5 3503 1 1 10 TYR CB C -10.046 9.167 -1.208 1.00 . A A . 10 TYR CB 1 1 5 3504 1 1 10 TYR CD1 C -9.029 8.533 1.017 1.00 . A A . 10 TYR CD1 1 1 5 3505 1 1 10 TYR CD2 C -10.236 10.583 0.874 1.00 . A A . 10 TYR CD2 1 1 5 3506 1 1 10 TYR CE1 C -8.773 8.771 2.354 1.00 . A A . 10 TYR CE1 1 1 5 3507 1 1 10 TYR CE2 C -9.983 10.830 2.211 1.00 . A A . 10 TYR CE2 1 1 5 3508 1 1 10 TYR CG C -9.764 9.433 0.255 1.00 . A A . 10 TYR CG 1 1 5 3509 1 1 10 TYR CZ C -9.252 9.921 2.945 1.00 . A A . 10 TYR CZ 1 1 5 3510 1 1 10 TYR H H -7.470 7.620 -1.090 1.00 . A A . 10 TYR H 1 1 5 3511 1 1 10 TYR HA H -9.076 8.940 -3.101 1.00 . A A . 10 TYR HA 1 1 5 3512 1 1 10 TYR HB2 H -10.598 10.008 -1.598 1.00 . A A . 10 TYR HB2 1 1 5 3513 1 1 10 TYR HB3 H -10.658 8.281 -1.270 1.00 . A A . 10 TYR HB3 1 1 5 3514 1 1 10 TYR HD1 H -8.655 7.634 0.551 1.00 . A A . 10 TYR HD1 1 1 5 3515 1 1 10 TYR HD2 H -10.810 11.293 0.297 1.00 . A A . 10 TYR HD2 1 1 5 3516 1 1 10 TYR HE1 H -8.200 8.060 2.927 1.00 . A A . 10 TYR HE1 1 1 5 3517 1 1 10 TYR HE2 H -10.359 11.730 2.674 1.00 . A A . 10 TYR HE2 1 1 5 3518 1 1 10 TYR HH H -9.760 9.903 4.799 1.00 . A A . 10 TYR HH 1 1 5 3519 1 1 10 TYR N N -8.199 7.660 -1.736 1.00 . A A . 10 TYR N 1 1 5 3520 1 1 10 TYR O O -6.805 9.935 -1.127 1.00 . A A . 10 TYR O 1 1 5 3521 1 1 10 TYR OH O -8.999 10.163 4.276 1.00 . A A . 10 TYR OH 1 1 5 3522 1 1 11 ALA C C -8.046 13.670 -2.037 1.00 . A A . 11 ALA C 1 1 5 3523 1 1 11 ALA CA C -7.227 12.412 -2.306 1.00 . A A . 11 ALA CA 1 1 5 3524 1 1 11 ALA CB C -6.381 12.590 -3.557 1.00 . A A . 11 ALA CB 1 1 5 3525 1 1 11 ALA H H -8.897 11.306 -2.985 1.00 . A A . 11 ALA H 1 1 5 3526 1 1 11 ALA HA H -6.563 12.244 -1.471 1.00 . A A . 11 ALA HA 1 1 5 3527 1 1 11 ALA HB1 H -5.558 13.256 -3.342 1.00 . A A . 11 ALA HB1 1 1 5 3528 1 1 11 ALA HB2 H -6.988 13.010 -4.345 1.00 . A A . 11 ALA HB2 1 1 5 3529 1 1 11 ALA HB3 H -5.996 11.631 -3.869 1.00 . A A . 11 ALA HB3 1 1 5 3530 1 1 11 ALA N N -8.088 11.243 -2.437 1.00 . A A . 11 ALA N 1 1 5 3531 1 1 11 ALA O O -8.738 14.174 -2.922 1.00 . A A . 11 ALA O 1 1 5 3532 1 1 12 GLY C C -8.609 15.672 1.038 1.00 . A A . 12 GLY C 1 1 5 3533 1 1 12 GLY CA C -8.701 15.367 -0.444 1.00 . A A . 12 GLY CA 1 1 5 3534 1 1 12 GLY H H -7.395 13.728 -0.147 1.00 . A A . 12 GLY H 1 1 5 3535 1 1 12 GLY HA2 H -8.302 16.205 -0.997 1.00 . A A . 12 GLY HA2 1 1 5 3536 1 1 12 GLY HA3 H -9.739 15.232 -0.710 1.00 . A A . 12 GLY HA3 1 1 5 3537 1 1 12 GLY N N -7.963 14.172 -0.811 1.00 . A A . 12 GLY N 1 1 5 3538 1 1 12 GLY O O -8.590 14.761 1.867 1.00 . A A . 12 GLY O 1 1 5 3539 1 1 13 ALA C C -7.100 17.064 3.359 1.00 . A A . 13 ALA C 1 1 5 3540 1 1 13 ALA CA C -8.466 17.387 2.765 1.00 . A A . 13 ALA CA 1 1 5 3541 1 1 13 ALA CB C -9.574 16.748 3.592 1.00 . A A . 13 ALA CB 1 1 5 3542 1 1 13 ALA H H -8.576 17.635 0.666 1.00 . A A . 13 ALA H 1 1 5 3543 1 1 13 ALA HA H -8.609 18.457 2.786 1.00 . A A . 13 ALA HA 1 1 5 3544 1 1 13 ALA HB1 H -10.363 16.409 2.936 1.00 . A A . 13 ALA HB1 1 1 5 3545 1 1 13 ALA HB2 H -9.971 17.474 4.287 1.00 . A A . 13 ALA HB2 1 1 5 3546 1 1 13 ALA HB3 H -9.175 15.907 4.138 1.00 . A A . 13 ALA HB3 1 1 5 3547 1 1 13 ALA N N -8.555 16.957 1.374 1.00 . A A . 13 ALA N 1 1 5 3548 1 1 13 ALA O O -6.983 16.742 4.541 1.00 . A A . 13 ALA O 1 1 5 3549 1 1 14 CYS C C -3.717 17.503 1.959 1.00 . A A . 14 CYS C 1 1 5 3550 1 1 14 CYS CA C -4.698 16.897 2.955 1.00 . A A . 14 CYS CA 1 1 5 3551 1 1 14 CYS CB C -4.418 15.390 3.100 1.00 . A A . 14 CYS CB 1 1 5 3552 1 1 14 CYS H H -6.234 17.432 1.600 1.00 . A A . 14 CYS H 1 1 5 3553 1 1 14 CYS HA H -4.554 17.375 3.914 1.00 . A A . 14 CYS HA 1 1 5 3554 1 1 14 CYS HB2 H -3.639 15.112 2.404 1.00 . A A . 14 CYS HB2 1 1 5 3555 1 1 14 CYS HB3 H -4.070 15.198 4.105 1.00 . A A . 14 CYS HB3 1 1 5 3556 1 1 14 CYS N N -6.069 17.163 2.528 1.00 . A A . 14 CYS N 1 1 5 3557 1 1 14 CYS O O -4.104 17.882 0.854 1.00 . A A . 14 CYS O 1 1 5 3558 1 1 14 CYS SG S -5.840 14.285 2.791 1.00 . A A . 14 CYS SG 1 1 5 3559 1 1 15 ARG C C -0.023 17.740 1.881 1.00 . A A . 15 ARG C 1 1 5 3560 1 1 15 ARG CA C -1.431 18.169 1.476 1.00 . A A . 15 ARG CA 1 1 5 3561 1 1 15 ARG CB C -1.524 19.692 1.471 1.00 . A A . 15 ARG CB 1 1 5 3562 1 1 15 ARG CD C 0.660 20.735 0.791 1.00 . A A . 15 ARG CD 1 1 5 3563 1 1 15 ARG CG C -0.739 20.341 0.344 1.00 . A A . 15 ARG CG 1 1 5 3564 1 1 15 ARG CZ C 2.440 22.004 -0.355 1.00 . A A . 15 ARG CZ 1 1 5 3565 1 1 15 ARG H H -2.196 17.291 3.246 1.00 . A A . 15 ARG H 1 1 5 3566 1 1 15 ARG HA H -1.625 17.813 0.476 1.00 . A A . 15 ARG HA 1 1 5 3567 1 1 15 ARG HB2 H -2.559 19.974 1.369 1.00 . A A . 15 ARG HB2 1 1 5 3568 1 1 15 ARG HB3 H -1.145 20.067 2.410 1.00 . A A . 15 ARG HB3 1 1 5 3569 1 1 15 ARG HD2 H 0.630 20.996 1.838 1.00 . A A . 15 ARG HD2 1 1 5 3570 1 1 15 ARG HD3 H 1.315 19.891 0.649 1.00 . A A . 15 ARG HD3 1 1 5 3571 1 1 15 ARG HE H 0.535 22.577 -0.211 1.00 . A A . 15 ARG HE 1 1 5 3572 1 1 15 ARG HG2 H -0.660 19.643 -0.475 1.00 . A A . 15 ARG HG2 1 1 5 3573 1 1 15 ARG HG3 H -1.265 21.227 0.017 1.00 . A A . 15 ARG HG3 1 1 5 3574 1 1 15 ARG HH11 H 3.075 20.280 0.492 1.00 . A A . 15 ARG HH11 1 1 5 3575 1 1 15 ARG HH12 H 4.291 21.191 -0.336 1.00 . A A . 15 ARG HH12 1 1 5 3576 1 1 15 ARG HH21 H 2.138 23.767 -1.294 1.00 . A A . 15 ARG HH21 1 1 5 3577 1 1 15 ARG HH22 H 3.762 23.168 -1.346 1.00 . A A . 15 ARG HH22 1 1 5 3578 1 1 15 ARG N N -2.449 17.601 2.353 1.00 . A A . 15 ARG N 1 1 5 3579 1 1 15 ARG NE N 1.172 21.873 0.031 1.00 . A A . 15 ARG NE 1 1 5 3580 1 1 15 ARG NH1 N 3.342 21.083 -0.039 1.00 . A A . 15 ARG NH1 1 1 5 3581 1 1 15 ARG NH2 N 2.811 23.067 -1.056 1.00 . A A . 15 ARG NH2 1 1 5 3582 1 1 15 ARG O O 0.529 18.236 2.864 1.00 . A A . 15 ARG O 1 1 5 3583 1 1 16 ALA C C 1.984 15.444 2.572 1.00 . A A . 16 ALA C 1 1 5 3584 1 1 16 ALA CA C 1.916 16.353 1.349 1.00 . A A . 16 ALA CA 1 1 5 3585 1 1 16 ALA CB C 2.875 17.523 1.506 1.00 . A A . 16 ALA CB 1 1 5 3586 1 1 16 ALA H H 0.073 16.499 0.319 1.00 . A A . 16 ALA H 1 1 5 3587 1 1 16 ALA HA H 2.227 15.788 0.483 1.00 . A A . 16 ALA HA 1 1 5 3588 1 1 16 ALA HB1 H 2.842 17.881 2.525 1.00 . A A . 16 ALA HB1 1 1 5 3589 1 1 16 ALA HB2 H 2.585 18.319 0.836 1.00 . A A . 16 ALA HB2 1 1 5 3590 1 1 16 ALA HB3 H 3.879 17.203 1.270 1.00 . A A . 16 ALA HB3 1 1 5 3591 1 1 16 ALA N N 0.561 16.836 1.099 1.00 . A A . 16 ALA N 1 1 5 3592 1 1 16 ALA O O 2.014 15.915 3.709 1.00 . A A . 16 ALA O 1 1 5 3593 1 1 17 ALA C C 2.586 11.818 2.825 1.00 . A A . 17 ALA C 1 1 5 3594 1 1 17 ALA CA C 2.130 13.159 3.382 1.00 . A A . 17 ALA CA 1 1 5 3595 1 1 17 ALA CB C 0.808 13.021 4.125 1.00 . A A . 17 ALA CB 1 1 5 3596 1 1 17 ALA H H 2.032 13.834 1.406 1.00 . A A . 17 ALA H 1 1 5 3597 1 1 17 ALA HA H 2.868 13.513 4.064 1.00 . A A . 17 ALA HA 1 1 5 3598 1 1 17 ALA HB1 H 0.221 12.237 3.672 1.00 . A A . 17 ALA HB1 1 1 5 3599 1 1 17 ALA HB2 H 0.266 13.953 4.073 1.00 . A A . 17 ALA HB2 1 1 5 3600 1 1 17 ALA HB3 H 1.000 12.775 5.159 1.00 . A A . 17 ALA HB3 1 1 5 3601 1 1 17 ALA N N 2.035 14.140 2.324 1.00 . A A . 17 ALA N 1 1 5 3602 1 1 17 ALA O O 2.035 10.767 3.153 1.00 . A A . 17 ALA O 1 1 5 3603 1 1 18 ALA C C 4.925 9.818 2.325 1.00 . A A . 18 ALA C 1 1 5 3604 1 1 18 ALA CA C 4.145 10.678 1.337 1.00 . A A . 18 ALA CA 1 1 5 3605 1 1 18 ALA CB C 5.029 11.067 0.163 1.00 . A A . 18 ALA CB 1 1 5 3606 1 1 18 ALA H H 3.982 12.748 1.753 1.00 . A A . 18 ALA H 1 1 5 3607 1 1 18 ALA HA H 3.317 10.101 0.951 1.00 . A A . 18 ALA HA 1 1 5 3608 1 1 18 ALA HB1 H 5.785 10.309 0.014 1.00 . A A . 18 ALA HB1 1 1 5 3609 1 1 18 ALA HB2 H 5.505 12.014 0.369 1.00 . A A . 18 ALA HB2 1 1 5 3610 1 1 18 ALA HB3 H 4.427 11.154 -0.730 1.00 . A A . 18 ALA HB3 1 1 5 3611 1 1 18 ALA N N 3.598 11.874 1.970 1.00 . A A . 18 ALA N 1 1 5 3612 1 1 18 ALA O O 6.139 9.970 2.474 1.00 . A A . 18 ALA O 1 1 5 3613 1 1 19 ALA C C 3.953 6.804 4.246 1.00 . A A . 19 ALA C 1 1 5 3614 1 1 19 ALA CA C 4.847 8.005 3.951 1.00 . A A . 19 ALA CA 1 1 5 3615 1 1 19 ALA CB C 5.168 8.749 5.237 1.00 . A A . 19 ALA CB 1 1 5 3616 1 1 19 ALA H H 3.261 8.830 2.814 1.00 . A A . 19 ALA H 1 1 5 3617 1 1 19 ALA HA H 5.775 7.654 3.526 1.00 . A A . 19 ALA HA 1 1 5 3618 1 1 19 ALA HB1 H 5.781 8.124 5.870 1.00 . A A . 19 ALA HB1 1 1 5 3619 1 1 19 ALA HB2 H 4.249 8.991 5.751 1.00 . A A . 19 ALA HB2 1 1 5 3620 1 1 19 ALA HB3 H 5.700 9.659 5.004 1.00 . A A . 19 ALA HB3 1 1 5 3621 1 1 19 ALA N N 4.222 8.905 2.986 1.00 . A A . 19 ALA N 1 1 5 3622 1 1 19 ALA O O 4.096 6.154 5.283 1.00 . A A . 19 ALA O 1 1 5 3623 1 1 20 ARG C C 1.806 4.757 2.132 1.00 . A A . 20 ARG C 1 1 5 3624 1 1 20 ARG CA C 2.123 5.388 3.487 1.00 . A A . 20 ARG CA 1 1 5 3625 1 1 20 ARG CB C 0.835 5.848 4.177 1.00 . A A . 20 ARG CB 1 1 5 3626 1 1 20 ARG CD C -0.236 6.893 6.191 1.00 . A A . 20 ARG CD 1 1 5 3627 1 1 20 ARG CG C 1.064 6.424 5.563 1.00 . A A . 20 ARG CG 1 1 5 3628 1 1 20 ARG CZ C -1.112 6.917 8.492 1.00 . A A . 20 ARG CZ 1 1 5 3629 1 1 20 ARG H H 2.974 7.062 2.522 1.00 . A A . 20 ARG H 1 1 5 3630 1 1 20 ARG HA H 2.609 4.651 4.108 1.00 . A A . 20 ARG HA 1 1 5 3631 1 1 20 ARG HB2 H 0.365 6.611 3.570 1.00 . A A . 20 ARG HB2 1 1 5 3632 1 1 20 ARG HB3 H 0.163 5.005 4.274 1.00 . A A . 20 ARG HB3 1 1 5 3633 1 1 20 ARG HD2 H -0.214 7.968 6.269 1.00 . A A . 20 ARG HD2 1 1 5 3634 1 1 20 ARG HD3 H -1.057 6.592 5.558 1.00 . A A . 20 ARG HD3 1 1 5 3635 1 1 20 ARG HE H -0.016 5.450 7.689 1.00 . A A . 20 ARG HE 1 1 5 3636 1 1 20 ARG HG2 H 1.498 5.659 6.190 1.00 . A A . 20 ARG HG2 1 1 5 3637 1 1 20 ARG HG3 H 1.741 7.260 5.490 1.00 . A A . 20 ARG HG3 1 1 5 3638 1 1 20 ARG HH11 H -1.625 8.537 7.392 1.00 . A A . 20 ARG HH11 1 1 5 3639 1 1 20 ARG HH12 H -2.209 8.532 9.021 1.00 . A A . 20 ARG HH12 1 1 5 3640 1 1 20 ARG HH21 H -0.780 5.451 9.842 1.00 . A A . 20 ARG HH21 1 1 5 3641 1 1 20 ARG HH22 H -1.732 6.782 10.410 1.00 . A A . 20 ARG HH22 1 1 5 3642 1 1 20 ARG N N 3.036 6.511 3.328 1.00 . A A . 20 ARG N 1 1 5 3643 1 1 20 ARG NE N -0.427 6.322 7.516 1.00 . A A . 20 ARG NE 1 1 5 3644 1 1 20 ARG NH1 N -1.695 8.092 8.285 1.00 . A A . 20 ARG NH1 1 1 5 3645 1 1 20 ARG NH2 N -1.217 6.336 9.679 1.00 . A A . 20 ARG NH2 1 1 5 3646 1 1 20 ARG O O 2.123 5.322 1.083 1.00 . A A . 20 ARG O 1 1 5 3647 1 1 21 TYR C C -0.568 2.298 1.002 1.00 . A A . 21 TYR C 1 1 5 3648 1 1 21 TYR CA C 0.838 2.890 0.921 1.00 . A A . 21 TYR CA 1 1 5 3649 1 1 21 TYR CB C 1.855 1.787 0.628 1.00 . A A . 21 TYR CB 1 1 5 3650 1 1 21 TYR CD1 C 4.029 2.602 1.630 1.00 . A A . 21 TYR CD1 1 1 5 3651 1 1 21 TYR CD2 C 3.880 2.428 -0.742 1.00 . A A . 21 TYR CD2 1 1 5 3652 1 1 21 TYR CE1 C 5.334 3.046 1.517 1.00 . A A . 21 TYR CE1 1 1 5 3653 1 1 21 TYR CE2 C 5.182 2.870 -0.862 1.00 . A A . 21 TYR CE2 1 1 5 3654 1 1 21 TYR CG C 3.280 2.286 0.503 1.00 . A A . 21 TYR CG 1 1 5 3655 1 1 21 TYR CZ C 5.905 3.177 0.269 1.00 . A A . 21 TYR CZ 1 1 5 3656 1 1 21 TYR H H 0.964 3.174 3.018 1.00 . A A . 21 TYR H 1 1 5 3657 1 1 21 TYR HA H 0.865 3.610 0.118 1.00 . A A . 21 TYR HA 1 1 5 3658 1 1 21 TYR HB2 H 1.827 1.060 1.428 1.00 . A A . 21 TYR HB2 1 1 5 3659 1 1 21 TYR HB3 H 1.589 1.302 -0.300 1.00 . A A . 21 TYR HB3 1 1 5 3660 1 1 21 TYR HD1 H 3.580 2.499 2.606 1.00 . A A . 21 TYR HD1 1 1 5 3661 1 1 21 TYR HD2 H 3.312 2.187 -1.629 1.00 . A A . 21 TYR HD2 1 1 5 3662 1 1 21 TYR HE1 H 5.900 3.287 2.403 1.00 . A A . 21 TYR HE1 1 1 5 3663 1 1 21 TYR HE2 H 5.631 2.973 -1.839 1.00 . A A . 21 TYR HE2 1 1 5 3664 1 1 21 TYR HH H 7.255 4.270 -0.553 1.00 . A A . 21 TYR HH 1 1 5 3665 1 1 21 TYR N N 1.188 3.583 2.155 1.00 . A A . 21 TYR N 1 1 5 3666 1 1 21 TYR O O -1.205 2.323 2.055 1.00 . A A . 21 TYR O 1 1 5 3667 1 1 21 TYR OH O 7.202 3.617 0.150 1.00 . A A . 21 TYR OH 1 1 5 3668 1 1 22 PHE C C -2.372 0.000 -1.179 1.00 . A A . 22 PHE C 1 1 5 3669 1 1 22 PHE CA C -2.370 1.154 -0.190 1.00 . A A . 22 PHE CA 1 1 5 3670 1 1 22 PHE CB C -3.422 2.178 -0.607 1.00 . A A . 22 PHE CB 1 1 5 3671 1 1 22 PHE CD1 C -3.265 2.446 -3.093 1.00 . A A . 22 PHE CD1 1 1 5 3672 1 1 22 PHE CD2 C -2.484 4.226 -1.718 1.00 . A A . 22 PHE CD2 1 1 5 3673 1 1 22 PHE CE1 C -2.925 3.163 -4.221 1.00 . A A . 22 PHE CE1 1 1 5 3674 1 1 22 PHE CE2 C -2.144 4.946 -2.843 1.00 . A A . 22 PHE CE2 1 1 5 3675 1 1 22 PHE CG C -3.049 2.967 -1.830 1.00 . A A . 22 PHE CG 1 1 5 3676 1 1 22 PHE CZ C -2.363 4.415 -4.096 1.00 . A A . 22 PHE CZ 1 1 5 3677 1 1 22 PHE H H -0.483 1.780 -0.925 1.00 . A A . 22 PHE H 1 1 5 3678 1 1 22 PHE HA H -2.621 0.774 0.790 1.00 . A A . 22 PHE HA 1 1 5 3679 1 1 22 PHE HB2 H -4.341 1.662 -0.818 1.00 . A A . 22 PHE HB2 1 1 5 3680 1 1 22 PHE HB3 H -3.583 2.866 0.204 1.00 . A A . 22 PHE HB3 1 1 5 3681 1 1 22 PHE HD1 H -3.706 1.465 -3.193 1.00 . A A . 22 PHE HD1 1 1 5 3682 1 1 22 PHE HD2 H -2.311 4.644 -0.737 1.00 . A A . 22 PHE HD2 1 1 5 3683 1 1 22 PHE HE1 H -3.099 2.744 -5.202 1.00 . A A . 22 PHE HE1 1 1 5 3684 1 1 22 PHE HE2 H -1.705 5.926 -2.744 1.00 . A A . 22 PHE HE2 1 1 5 3685 1 1 22 PHE HZ H -2.095 4.979 -4.978 1.00 . A A . 22 PHE HZ 1 1 5 3686 1 1 22 PHE N N -1.042 1.766 -0.121 1.00 . A A . 22 PHE N 1 1 5 3687 1 1 22 PHE O O -1.565 -0.034 -2.099 1.00 . A A . 22 PHE O 1 1 5 3688 1 1 23 TYR C C -4.247 -1.771 -3.101 1.00 . A A . 23 TYR C 1 1 5 3689 1 1 23 TYR CA C -3.375 -2.094 -1.895 1.00 . A A . 23 TYR CA 1 1 5 3690 1 1 23 TYR CB C -3.918 -3.328 -1.173 1.00 . A A . 23 TYR CB 1 1 5 3691 1 1 23 TYR CD1 C -2.839 -5.255 -2.396 1.00 . A A . 23 TYR CD1 1 1 5 3692 1 1 23 TYR CD2 C -5.201 -4.995 -2.577 1.00 . A A . 23 TYR CD2 1 1 5 3693 1 1 23 TYR CE1 C -2.896 -6.365 -3.214 1.00 . A A . 23 TYR CE1 1 1 5 3694 1 1 23 TYR CE2 C -5.266 -6.105 -3.397 1.00 . A A . 23 TYR CE2 1 1 5 3695 1 1 23 TYR CG C -3.990 -4.552 -2.063 1.00 . A A . 23 TYR CG 1 1 5 3696 1 1 23 TYR CZ C -4.110 -6.787 -3.713 1.00 . A A . 23 TYR CZ 1 1 5 3697 1 1 23 TYR H H -3.918 -0.856 -0.246 1.00 . A A . 23 TYR H 1 1 5 3698 1 1 23 TYR HA H -2.368 -2.317 -2.244 1.00 . A A . 23 TYR HA 1 1 5 3699 1 1 23 TYR HB2 H -3.268 -3.565 -0.341 1.00 . A A . 23 TYR HB2 1 1 5 3700 1 1 23 TYR HB3 H -4.915 -3.119 -0.807 1.00 . A A . 23 TYR HB3 1 1 5 3701 1 1 23 TYR HD1 H -1.890 -4.923 -2.004 1.00 . A A . 23 TYR HD1 1 1 5 3702 1 1 23 TYR HD2 H -6.103 -4.461 -2.327 1.00 . A A . 23 TYR HD2 1 1 5 3703 1 1 23 TYR HE1 H -1.989 -6.899 -3.462 1.00 . A A . 23 TYR HE1 1 1 5 3704 1 1 23 TYR HE2 H -6.218 -6.433 -3.787 1.00 . A A . 23 TYR HE2 1 1 5 3705 1 1 23 TYR HH H -3.409 -8.456 -4.371 1.00 . A A . 23 TYR HH 1 1 5 3706 1 1 23 TYR N N -3.287 -0.941 -0.994 1.00 . A A . 23 TYR N 1 1 5 3707 1 1 23 TYR O O -5.284 -1.121 -2.975 1.00 . A A . 23 TYR O 1 1 5 3708 1 1 23 TYR OH O -4.169 -7.893 -4.533 1.00 . A A . 23 TYR OH 1 1 5 3709 1 1 24 ASN C C -5.072 -3.328 -6.070 1.00 . A A . 24 ASN C 1 1 5 3710 1 1 24 ASN CA C -4.562 -2.011 -5.500 1.00 . A A . 24 ASN CA 1 1 5 3711 1 1 24 ASN CB C -3.666 -1.305 -6.522 1.00 . A A . 24 ASN CB 1 1 5 3712 1 1 24 ASN CG C -4.387 -1.007 -7.818 1.00 . A A . 24 ASN CG 1 1 5 3713 1 1 24 ASN H H -2.992 -2.757 -4.296 1.00 . A A . 24 ASN H 1 1 5 3714 1 1 24 ASN HA H -5.408 -1.374 -5.276 1.00 . A A . 24 ASN HA 1 1 5 3715 1 1 24 ASN HB2 H -3.317 -0.370 -6.102 1.00 . A A . 24 ASN HB2 1 1 5 3716 1 1 24 ASN HB3 H -2.818 -1.935 -6.748 1.00 . A A . 24 ASN HB3 1 1 5 3717 1 1 24 ASN HD21 H -3.309 0.649 -8.046 1.00 . A A . 24 ASN HD21 1 1 5 3718 1 1 24 ASN HD22 H -4.461 0.311 -9.297 1.00 . A A . 24 ASN HD22 1 1 5 3719 1 1 24 ASN N N -3.824 -2.239 -4.266 1.00 . A A . 24 ASN N 1 1 5 3720 1 1 24 ASN ND2 N -4.017 0.096 -8.451 1.00 . A A . 24 ASN ND2 1 1 5 3721 1 1 24 ASN O O -4.388 -3.975 -6.858 1.00 . A A . 24 ASN O 1 1 5 3722 1 1 24 ASN OD1 O -5.261 -1.760 -8.246 1.00 . A A . 24 ASN OD1 1 1 5 3723 1 1 25 ALA C C -6.872 -5.022 -7.676 1.00 . A A . 25 ALA C 1 1 5 3724 1 1 25 ALA CA C -6.874 -4.963 -6.152 1.00 . A A . 25 ALA CA 1 1 5 3725 1 1 25 ALA CB C -8.290 -5.109 -5.617 1.00 . A A . 25 ALA CB 1 1 5 3726 1 1 25 ALA H H -6.781 -3.159 -5.044 1.00 . A A . 25 ALA H 1 1 5 3727 1 1 25 ALA HA H -6.282 -5.784 -5.767 1.00 . A A . 25 ALA HA 1 1 5 3728 1 1 25 ALA HB1 H -8.491 -6.150 -5.408 1.00 . A A . 25 ALA HB1 1 1 5 3729 1 1 25 ALA HB2 H -8.993 -4.750 -6.354 1.00 . A A . 25 ALA HB2 1 1 5 3730 1 1 25 ALA HB3 H -8.395 -4.533 -4.709 1.00 . A A . 25 ALA HB3 1 1 5 3731 1 1 25 ALA N N -6.279 -3.719 -5.673 1.00 . A A . 25 ALA N 1 1 5 3732 1 1 25 ALA O O -6.791 -6.098 -8.267 1.00 . A A . 25 ALA O 1 1 5 3733 1 1 26 LYS C C -5.540 -3.903 -10.334 1.00 . A A . 26 LYS C 1 1 5 3734 1 1 26 LYS CA C -6.952 -3.762 -9.761 1.00 . A A . 26 LYS CA 1 1 5 3735 1 1 26 LYS CB C -7.558 -2.429 -10.203 1.00 . A A . 26 LYS CB 1 1 5 3736 1 1 26 LYS CD C -9.214 -1.477 -11.835 1.00 . A A . 26 LYS CD 1 1 5 3737 1 1 26 LYS CE C -10.050 -1.860 -13.046 1.00 . A A . 26 LYS CE 1 1 5 3738 1 1 26 LYS CG C -8.043 -2.427 -11.643 1.00 . A A . 26 LYS CG 1 1 5 3739 1 1 26 LYS H H -7.004 -3.029 -7.777 1.00 . A A . 26 LYS H 1 1 5 3740 1 1 26 LYS HA H -7.564 -4.567 -10.143 1.00 . A A . 26 LYS HA 1 1 5 3741 1 1 26 LYS HB2 H -8.399 -2.200 -9.564 1.00 . A A . 26 LYS HB2 1 1 5 3742 1 1 26 LYS HB3 H -6.815 -1.655 -10.095 1.00 . A A . 26 LYS HB3 1 1 5 3743 1 1 26 LYS HD2 H -9.839 -1.509 -10.956 1.00 . A A . 26 LYS HD2 1 1 5 3744 1 1 26 LYS HD3 H -8.834 -0.475 -11.974 1.00 . A A . 26 LYS HD3 1 1 5 3745 1 1 26 LYS HE2 H -9.761 -1.236 -13.880 1.00 . A A . 26 LYS HE2 1 1 5 3746 1 1 26 LYS HE3 H -9.857 -2.895 -13.288 1.00 . A A . 26 LYS HE3 1 1 5 3747 1 1 26 LYS HG2 H -7.231 -2.116 -12.286 1.00 . A A . 26 LYS HG2 1 1 5 3748 1 1 26 LYS HG3 H -8.353 -3.427 -11.911 1.00 . A A . 26 LYS HG3 1 1 5 3749 1 1 26 LYS HZ1 H -12.049 -1.924 -13.649 1.00 . A A . 26 LYS HZ1 1 1 5 3750 1 1 26 LYS HZ2 H -11.711 -0.700 -12.533 1.00 . A A . 26 LYS HZ2 1 1 5 3751 1 1 26 LYS HZ3 H -11.813 -2.307 -12.018 1.00 . A A . 26 LYS HZ3 1 1 5 3752 1 1 26 LYS N N -6.949 -3.853 -8.304 1.00 . A A . 26 LYS N 1 1 5 3753 1 1 26 LYS NZ N -11.507 -1.685 -12.795 1.00 . A A . 26 LYS NZ 1 1 5 3754 1 1 26 LYS O O -5.356 -3.878 -11.550 1.00 . A A . 26 LYS O 1 1 5 3755 1 1 27 ALA C C -2.385 -5.238 -9.126 1.00 . A A . 27 ALA C 1 1 5 3756 1 1 27 ALA CA C -3.156 -4.169 -9.907 1.00 . A A . 27 ALA CA 1 1 5 3757 1 1 27 ALA CB C -2.445 -2.830 -9.793 1.00 . A A . 27 ALA CB 1 1 5 3758 1 1 27 ALA H H -4.739 -4.038 -8.500 1.00 . A A . 27 ALA H 1 1 5 3759 1 1 27 ALA HA H -3.170 -4.448 -10.949 1.00 . A A . 27 ALA HA 1 1 5 3760 1 1 27 ALA HB1 H -3.176 -2.034 -9.788 1.00 . A A . 27 ALA HB1 1 1 5 3761 1 1 27 ALA HB2 H -1.780 -2.702 -10.634 1.00 . A A . 27 ALA HB2 1 1 5 3762 1 1 27 ALA HB3 H -1.875 -2.801 -8.876 1.00 . A A . 27 ALA HB3 1 1 5 3763 1 1 27 ALA N N -4.542 -4.040 -9.460 1.00 . A A . 27 ALA N 1 1 5 3764 1 1 27 ALA O O -1.218 -5.499 -9.412 1.00 . A A . 27 ALA O 1 1 5 3765 1 1 28 GLY C C -1.275 -6.410 -6.468 1.00 . A A . 28 GLY C 1 1 5 3766 1 1 28 GLY CA C -2.400 -6.900 -7.368 1.00 . A A . 28 GLY CA 1 1 5 3767 1 1 28 GLY H H -3.963 -5.637 -7.968 1.00 . A A . 28 GLY H 1 1 5 3768 1 1 28 GLY HA2 H -3.149 -7.377 -6.753 1.00 . A A . 28 GLY HA2 1 1 5 3769 1 1 28 GLY HA3 H -2.008 -7.623 -8.049 1.00 . A A . 28 GLY HA3 1 1 5 3770 1 1 28 GLY N N -3.039 -5.864 -8.149 1.00 . A A . 28 GLY N 1 1 5 3771 1 1 28 GLY O O -0.763 -7.170 -5.647 1.00 . A A . 28 GLY O 1 1 5 3772 1 1 29 LEU C C -0.253 -3.318 -5.092 1.00 . A A . 29 LEU C 1 1 5 3773 1 1 29 LEU CA C 0.195 -4.591 -5.803 1.00 . A A . 29 LEU CA 1 1 5 3774 1 1 29 LEU CB C 1.419 -4.299 -6.675 1.00 . A A . 29 LEU CB 1 1 5 3775 1 1 29 LEU CD1 C 2.829 -5.958 -7.930 1.00 . A A . 29 LEU CD1 1 1 5 3776 1 1 29 LEU CD2 C 3.810 -4.689 -6.008 1.00 . A A . 29 LEU CD2 1 1 5 3777 1 1 29 LEU CG C 2.549 -5.330 -6.572 1.00 . A A . 29 LEU CG 1 1 5 3778 1 1 29 LEU H H -1.318 -4.588 -7.281 1.00 . A A . 29 LEU H 1 1 5 3779 1 1 29 LEU HA H 0.462 -5.326 -5.060 1.00 . A A . 29 LEU HA 1 1 5 3780 1 1 29 LEU HB2 H 1.095 -4.251 -7.706 1.00 . A A . 29 LEU HB2 1 1 5 3781 1 1 29 LEU HB3 H 1.814 -3.334 -6.396 1.00 . A A . 29 LEU HB3 1 1 5 3782 1 1 29 LEU HD11 H 3.878 -6.202 -8.003 1.00 . A A . 29 LEU HD11 1 1 5 3783 1 1 29 LEU HD12 H 2.565 -5.261 -8.711 1.00 . A A . 29 LEU HD12 1 1 5 3784 1 1 29 LEU HD13 H 2.242 -6.859 -8.037 1.00 . A A . 29 LEU HD13 1 1 5 3785 1 1 29 LEU HD21 H 3.567 -4.149 -5.105 1.00 . A A . 29 LEU HD21 1 1 5 3786 1 1 29 LEU HD22 H 4.224 -4.006 -6.736 1.00 . A A . 29 LEU HD22 1 1 5 3787 1 1 29 LEU HD23 H 4.534 -5.459 -5.784 1.00 . A A . 29 LEU HD23 1 1 5 3788 1 1 29 LEU HG H 2.245 -6.118 -5.897 1.00 . A A . 29 LEU HG 1 1 5 3789 1 1 29 LEU N N -0.881 -5.150 -6.615 1.00 . A A . 29 LEU N 1 1 5 3790 1 1 29 LEU O O -1.375 -2.848 -5.284 1.00 . A A . 29 LEU O 1 1 5 3791 1 1 30 CYS C C 0.875 -0.316 -4.251 1.00 . A A . 30 CYS C 1 1 5 3792 1 1 30 CYS CA C 0.325 -1.541 -3.540 1.00 . A A . 30 CYS CA 1 1 5 3793 1 1 30 CYS CB C 0.883 -1.588 -2.117 1.00 . A A . 30 CYS CB 1 1 5 3794 1 1 30 CYS H H 1.514 -3.178 -4.160 1.00 . A A . 30 CYS H 1 1 5 3795 1 1 30 CYS HA H -0.749 -1.456 -3.491 1.00 . A A . 30 CYS HA 1 1 5 3796 1 1 30 CYS HB2 H 1.913 -1.265 -2.136 1.00 . A A . 30 CYS HB2 1 1 5 3797 1 1 30 CYS HB3 H 0.315 -0.907 -1.502 1.00 . A A . 30 CYS HB3 1 1 5 3798 1 1 30 CYS N N 0.634 -2.761 -4.272 1.00 . A A . 30 CYS N 1 1 5 3799 1 1 30 CYS O O 1.627 -0.422 -5.221 1.00 . A A . 30 CYS O 1 1 5 3800 1 1 30 CYS SG S 0.824 -3.230 -1.326 1.00 . A A . 30 CYS SG 1 1 5 3801 1 1 31 GLN C C 1.078 3.170 -3.219 1.00 . A A . 31 GLN C 1 1 5 3802 1 1 31 GLN CA C 0.928 2.117 -4.315 1.00 . A A . 31 GLN CA 1 1 5 3803 1 1 31 GLN CB C -0.066 2.599 -5.378 1.00 . A A . 31 GLN CB 1 1 5 3804 1 1 31 GLN CD C -0.412 1.303 -7.524 1.00 . A A . 31 GLN CD 1 1 5 3805 1 1 31 GLN CG C 0.402 2.365 -6.806 1.00 . A A . 31 GLN CG 1 1 5 3806 1 1 31 GLN H H -0.103 0.852 -2.971 1.00 . A A . 31 GLN H 1 1 5 3807 1 1 31 GLN HA H 1.888 1.957 -4.779 1.00 . A A . 31 GLN HA 1 1 5 3808 1 1 31 GLN HB2 H -1.001 2.078 -5.243 1.00 . A A . 31 GLN HB2 1 1 5 3809 1 1 31 GLN HB3 H -0.232 3.658 -5.247 1.00 . A A . 31 GLN HB3 1 1 5 3810 1 1 31 GLN HE21 H -1.070 2.653 -8.827 1.00 . A A . 31 GLN HE21 1 1 5 3811 1 1 31 GLN HE22 H -1.647 1.042 -9.061 1.00 . A A . 31 GLN HE22 1 1 5 3812 1 1 31 GLN HG2 H 0.318 3.292 -7.353 1.00 . A A . 31 GLN HG2 1 1 5 3813 1 1 31 GLN HG3 H 1.436 2.052 -6.787 1.00 . A A . 31 GLN HG3 1 1 5 3814 1 1 31 GLN N N 0.489 0.848 -3.750 1.00 . A A . 31 GLN N 1 1 5 3815 1 1 31 GLN NE2 N -1.114 1.707 -8.577 1.00 . A A . 31 GLN NE2 1 1 5 3816 1 1 31 GLN O O 0.283 3.218 -2.280 1.00 . A A . 31 GLN O 1 1 5 3817 1 1 31 GLN OE1 O -0.413 0.133 -7.136 1.00 . A A . 31 GLN OE1 1 1 5 3818 1 1 32 THR C C 1.324 6.207 -2.554 1.00 . A A . 32 THR C 1 1 5 3819 1 1 32 THR CA C 2.327 5.071 -2.366 1.00 . A A . 32 THR CA 1 1 5 3820 1 1 32 THR CB C 3.767 5.593 -2.462 1.00 . A A . 32 THR CB 1 1 5 3821 1 1 32 THR CG2 C 3.963 6.667 -3.515 1.00 . A A . 32 THR CG2 1 1 5 3822 1 1 32 THR H H 2.698 3.934 -4.114 1.00 . A A . 32 THR H 1 1 5 3823 1 1 32 THR HA H 2.171 4.650 -1.390 1.00 . A A . 32 THR HA 1 1 5 3824 1 1 32 THR HB H 4.421 4.767 -2.711 1.00 . A A . 32 THR HB 1 1 5 3825 1 1 32 THR HG1 H 4.164 5.445 -0.552 1.00 . A A . 32 THR HG1 1 1 5 3826 1 1 32 THR HG21 H 4.994 6.987 -3.515 1.00 . A A . 32 THR HG21 1 1 5 3827 1 1 32 THR HG22 H 3.325 7.510 -3.294 1.00 . A A . 32 THR HG22 1 1 5 3828 1 1 32 THR HG23 H 3.710 6.270 -4.487 1.00 . A A . 32 THR HG23 1 1 5 3829 1 1 32 THR N N 2.096 4.015 -3.344 1.00 . A A . 32 THR N 1 1 5 3830 1 1 32 THR O O 1.033 6.616 -3.678 1.00 . A A . 32 THR O 1 1 5 3831 1 1 32 THR OG1 O 4.187 6.131 -1.222 1.00 . A A . 32 THR OG1 1 1 5 3832 1 1 33 PHE C C 0.345 8.998 -2.278 1.00 . A A . 33 PHE C 1 1 5 3833 1 1 33 PHE CA C -0.170 7.806 -1.473 1.00 . A A . 33 PHE CA 1 1 5 3834 1 1 33 PHE CB C -0.525 8.234 -0.048 1.00 . A A . 33 PHE CB 1 1 5 3835 1 1 33 PHE CD1 C -2.865 7.438 0.398 1.00 . A A . 33 PHE CD1 1 1 5 3836 1 1 33 PHE CD2 C -1.055 6.277 1.425 1.00 . A A . 33 PHE CD2 1 1 5 3837 1 1 33 PHE CE1 C -3.761 6.566 0.991 1.00 . A A . 33 PHE CE1 1 1 5 3838 1 1 33 PHE CE2 C -1.943 5.403 2.018 1.00 . A A . 33 PHE CE2 1 1 5 3839 1 1 33 PHE CG C -1.502 7.303 0.611 1.00 . A A . 33 PHE CG 1 1 5 3840 1 1 33 PHE CZ C -3.298 5.547 1.801 1.00 . A A . 33 PHE CZ 1 1 5 3841 1 1 33 PHE H H 1.085 6.352 -0.575 1.00 . A A . 33 PHE H 1 1 5 3842 1 1 33 PHE HA H -1.064 7.423 -1.949 1.00 . A A . 33 PHE HA 1 1 5 3843 1 1 33 PHE HB2 H 0.373 8.256 0.553 1.00 . A A . 33 PHE HB2 1 1 5 3844 1 1 33 PHE HB3 H -0.962 9.219 -0.071 1.00 . A A . 33 PHE HB3 1 1 5 3845 1 1 33 PHE HD1 H -3.229 8.235 -0.236 1.00 . A A . 33 PHE HD1 1 1 5 3846 1 1 33 PHE HD2 H 0.004 6.167 1.598 1.00 . A A . 33 PHE HD2 1 1 5 3847 1 1 33 PHE HE1 H -4.822 6.680 0.821 1.00 . A A . 33 PHE HE1 1 1 5 3848 1 1 33 PHE HE2 H -1.579 4.606 2.650 1.00 . A A . 33 PHE HE2 1 1 5 3849 1 1 33 PHE HZ H -3.994 4.864 2.265 1.00 . A A . 33 PHE HZ 1 1 5 3850 1 1 33 PHE N N 0.807 6.718 -1.441 1.00 . A A . 33 PHE N 1 1 5 3851 1 1 33 PHE O O 1.420 9.532 -2.001 1.00 . A A . 33 PHE O 1 1 5 3852 1 1 34 ALA C C -0.251 11.865 -3.452 1.00 . A A . 34 ALA C 1 1 5 3853 1 1 34 ALA CA C -0.060 10.518 -4.146 1.00 . A A . 34 ALA CA 1 1 5 3854 1 1 34 ALA CB C -0.869 10.472 -5.436 1.00 . A A . 34 ALA CB 1 1 5 3855 1 1 34 ALA H H -1.270 8.925 -3.456 1.00 . A A . 34 ALA H 1 1 5 3856 1 1 34 ALA HA H 0.981 10.406 -4.404 1.00 . A A . 34 ALA HA 1 1 5 3857 1 1 34 ALA HB1 H -0.257 10.815 -6.257 1.00 . A A . 34 ALA HB1 1 1 5 3858 1 1 34 ALA HB2 H -1.736 11.110 -5.342 1.00 . A A . 34 ALA HB2 1 1 5 3859 1 1 34 ALA HB3 H -1.188 9.457 -5.625 1.00 . A A . 34 ALA HB3 1 1 5 3860 1 1 34 ALA N N -0.429 9.400 -3.284 1.00 . A A . 34 ALA N 1 1 5 3861 1 1 34 ALA O O -0.527 11.932 -2.251 1.00 . A A . 34 ALA O 1 1 5 3862 1 1 35 TYR C C -1.556 14.474 -2.929 1.00 . A A . 35 TYR C 1 1 5 3863 1 1 35 TYR CA C -0.250 14.296 -3.703 1.00 . A A . 35 TYR CA 1 1 5 3864 1 1 35 TYR CB C -0.188 15.313 -4.845 1.00 . A A . 35 TYR CB 1 1 5 3865 1 1 35 TYR CD1 C -0.629 17.611 -3.900 1.00 . A A . 35 TYR CD1 1 1 5 3866 1 1 35 TYR CD2 C 1.614 17.041 -4.471 1.00 . A A . 35 TYR CD2 1 1 5 3867 1 1 35 TYR CE1 C -0.210 18.860 -3.482 1.00 . A A . 35 TYR CE1 1 1 5 3868 1 1 35 TYR CE2 C 2.041 18.288 -4.052 1.00 . A A . 35 TYR CE2 1 1 5 3869 1 1 35 TYR CG C 0.274 16.682 -4.402 1.00 . A A . 35 TYR CG 1 1 5 3870 1 1 35 TYR CZ C 1.126 19.193 -3.559 1.00 . A A . 35 TYR CZ 1 1 5 3871 1 1 35 TYR H H 0.109 12.817 -5.172 1.00 . A A . 35 TYR H 1 1 5 3872 1 1 35 TYR HA H 0.582 14.480 -3.030 1.00 . A A . 35 TYR HA 1 1 5 3873 1 1 35 TYR HB2 H 0.500 14.959 -5.599 1.00 . A A . 35 TYR HB2 1 1 5 3874 1 1 35 TYR HB3 H -1.172 15.417 -5.281 1.00 . A A . 35 TYR HB3 1 1 5 3875 1 1 35 TYR HD1 H -1.675 17.347 -3.840 1.00 . A A . 35 TYR HD1 1 1 5 3876 1 1 35 TYR HD2 H 2.329 16.330 -4.858 1.00 . A A . 35 TYR HD2 1 1 5 3877 1 1 35 TYR HE1 H -0.927 19.569 -3.095 1.00 . A A . 35 TYR HE1 1 1 5 3878 1 1 35 TYR HE2 H 3.088 18.548 -4.114 1.00 . A A . 35 TYR HE2 1 1 5 3879 1 1 35 TYR HH H 1.117 20.659 -2.313 1.00 . A A . 35 TYR HH 1 1 5 3880 1 1 35 TYR N N -0.107 12.940 -4.224 1.00 . A A . 35 TYR N 1 1 5 3881 1 1 35 TYR O O -2.599 13.938 -3.306 1.00 . A A . 35 TYR O 1 1 5 3882 1 1 35 TYR OH O 1.548 20.435 -3.141 1.00 . A A . 35 TYR OH 1 1 5 3883 1 1 36 GLY C C -3.497 14.324 -0.704 1.00 . A A . 36 GLY C 1 1 5 3884 1 1 36 GLY CA C -2.632 15.531 -1.030 1.00 . A A . 36 GLY CA 1 1 5 3885 1 1 36 GLY H H -0.638 15.658 -1.621 1.00 . A A . 36 GLY H 1 1 5 3886 1 1 36 GLY HA2 H -2.288 15.964 -0.105 1.00 . A A . 36 GLY HA2 1 1 5 3887 1 1 36 GLY HA3 H -3.222 16.260 -1.543 1.00 . A A . 36 GLY HA3 1 1 5 3888 1 1 36 GLY N N -1.483 15.250 -1.851 1.00 . A A . 36 GLY N 1 1 5 3889 1 1 36 GLY O O -4.642 14.484 -0.281 1.00 . A A . 36 GLY O 1 1 5 3890 1 1 37 ALA C C -3.915 11.778 0.936 1.00 . A A . 37 ALA C 1 1 5 3891 1 1 37 ALA CA C -3.729 11.912 -0.571 1.00 . A A . 37 ALA CA 1 1 5 3892 1 1 37 ALA CB C -3.045 10.680 -1.141 1.00 . A A . 37 ALA CB 1 1 5 3893 1 1 37 ALA H H -2.047 13.030 -1.211 1.00 . A A . 37 ALA H 1 1 5 3894 1 1 37 ALA HA H -4.699 12.005 -1.035 1.00 . A A . 37 ALA HA 1 1 5 3895 1 1 37 ALA HB1 H -2.469 10.200 -0.365 1.00 . A A . 37 ALA HB1 1 1 5 3896 1 1 37 ALA HB2 H -2.392 10.970 -1.949 1.00 . A A . 37 ALA HB2 1 1 5 3897 1 1 37 ALA HB3 H -3.792 9.993 -1.511 1.00 . A A . 37 ALA HB3 1 1 5 3898 1 1 37 ALA N N -2.967 13.115 -0.882 1.00 . A A . 37 ALA N 1 1 5 3899 1 1 37 ALA O O -3.451 12.625 1.701 1.00 . A A . 37 ALA O 1 1 5 3900 1 1 38 CYS C C -5.007 9.006 3.093 1.00 . A A . 38 CYS C 1 1 5 3901 1 1 38 CYS CA C -4.803 10.486 2.788 1.00 . A A . 38 CYS CA 1 1 5 3902 1 1 38 CYS CB C -6.016 11.280 3.266 1.00 . A A . 38 CYS CB 1 1 5 3903 1 1 38 CYS H H -4.915 10.060 0.714 1.00 . A A . 38 CYS H 1 1 5 3904 1 1 38 CYS HA H -3.928 10.832 3.318 1.00 . A A . 38 CYS HA 1 1 5 3905 1 1 38 CYS HB2 H -6.620 11.553 2.412 1.00 . A A . 38 CYS HB2 1 1 5 3906 1 1 38 CYS HB3 H -6.600 10.660 3.930 1.00 . A A . 38 CYS HB3 1 1 5 3907 1 1 38 CYS N N -4.577 10.710 1.365 1.00 . A A . 38 CYS N 1 1 5 3908 1 1 38 CYS O O -5.484 8.244 2.254 1.00 . A A . 38 CYS O 1 1 5 3909 1 1 38 CYS SG S -5.599 12.809 4.166 1.00 . A A . 38 CYS SG 1 1 5 3910 1 1 39 ALA C C -6.261 6.874 4.971 1.00 . A A . 39 ALA C 1 1 5 3911 1 1 39 ALA CA C -4.795 7.237 4.759 1.00 . A A . 39 ALA CA 1 1 5 3912 1 1 39 ALA CB C -4.004 7.014 6.040 1.00 . A A . 39 ALA CB 1 1 5 3913 1 1 39 ALA H H -4.293 9.284 4.934 1.00 . A A . 39 ALA H 1 1 5 3914 1 1 39 ALA HA H -4.383 6.593 3.994 1.00 . A A . 39 ALA HA 1 1 5 3915 1 1 39 ALA HB1 H -4.461 7.569 6.846 1.00 . A A . 39 ALA HB1 1 1 5 3916 1 1 39 ALA HB2 H -2.989 7.356 5.900 1.00 . A A . 39 ALA HB2 1 1 5 3917 1 1 39 ALA HB3 H -3.999 5.962 6.283 1.00 . A A . 39 ALA HB3 1 1 5 3918 1 1 39 ALA N N -4.652 8.618 4.312 1.00 . A A . 39 ALA N 1 1 5 3919 1 1 39 ALA O O -7.038 7.673 5.493 1.00 . A A . 39 ALA O 1 1 5 3920 1 1 40 ALA C C -8.181 4.436 6.037 1.00 . A A . 40 ALA C 1 1 5 3921 1 1 40 ALA CA C -8.004 5.196 4.727 1.00 . A A . 40 ALA CA 1 1 5 3922 1 1 40 ALA CB C -8.404 4.321 3.547 1.00 . A A . 40 ALA CB 1 1 5 3923 1 1 40 ALA H H -5.968 5.065 4.169 1.00 . A A . 40 ALA H 1 1 5 3924 1 1 40 ALA HA H -8.649 6.063 4.736 1.00 . A A . 40 ALA HA 1 1 5 3925 1 1 40 ALA HB1 H -8.944 4.916 2.825 1.00 . A A . 40 ALA HB1 1 1 5 3926 1 1 40 ALA HB2 H -9.035 3.515 3.893 1.00 . A A . 40 ALA HB2 1 1 5 3927 1 1 40 ALA HB3 H -7.518 3.911 3.087 1.00 . A A . 40 ALA HB3 1 1 5 3928 1 1 40 ALA N N -6.632 5.661 4.572 1.00 . A A . 40 ALA N 1 1 5 3929 1 1 40 ALA O O -7.264 4.366 6.854 1.00 . A A . 40 ALA O 1 1 5 3930 1 1 41 LYS C C -8.693 1.934 7.589 1.00 . A A . 41 LYS C 1 1 5 3931 1 1 41 LYS CA C -9.657 3.109 7.441 1.00 . A A . 41 LYS CA 1 1 5 3932 1 1 41 LYS CB C -11.107 2.612 7.427 1.00 . A A . 41 LYS CB 1 1 5 3933 1 1 41 LYS CD C -12.509 2.120 9.459 1.00 . A A . 41 LYS CD 1 1 5 3934 1 1 41 LYS CE C -13.961 1.797 9.140 1.00 . A A . 41 LYS CE 1 1 5 3935 1 1 41 LYS CG C -11.961 3.201 8.539 1.00 . A A . 41 LYS CG 1 1 5 3936 1 1 41 LYS H H -10.057 3.951 5.542 1.00 . A A . 41 LYS H 1 1 5 3937 1 1 41 LYS HA H -9.523 3.773 8.283 1.00 . A A . 41 LYS HA 1 1 5 3938 1 1 41 LYS HB2 H -11.557 2.874 6.480 1.00 . A A . 41 LYS HB2 1 1 5 3939 1 1 41 LYS HB3 H -11.112 1.536 7.530 1.00 . A A . 41 LYS HB3 1 1 5 3940 1 1 41 LYS HD2 H -11.919 1.224 9.338 1.00 . A A . 41 LYS HD2 1 1 5 3941 1 1 41 LYS HD3 H -12.441 2.462 10.481 1.00 . A A . 41 LYS HD3 1 1 5 3942 1 1 41 LYS HE2 H -14.562 2.001 10.015 1.00 . A A . 41 LYS HE2 1 1 5 3943 1 1 41 LYS HE3 H -14.288 2.428 8.326 1.00 . A A . 41 LYS HE3 1 1 5 3944 1 1 41 LYS HG2 H -11.358 3.882 9.120 1.00 . A A . 41 LYS HG2 1 1 5 3945 1 1 41 LYS HG3 H -12.788 3.737 8.097 1.00 . A A . 41 LYS HG3 1 1 5 3946 1 1 41 LYS HZ1 H -13.320 0.042 8.206 1.00 . A A . 41 LYS HZ1 1 1 5 3947 1 1 41 LYS HZ2 H -14.997 0.264 8.171 1.00 . A A . 41 LYS HZ2 1 1 5 3948 1 1 41 LYS HZ3 H -14.239 -0.221 9.601 1.00 . A A . 41 LYS HZ3 1 1 5 3949 1 1 41 LYS N N -9.366 3.864 6.230 1.00 . A A . 41 LYS N 1 1 5 3950 1 1 41 LYS NZ N -14.141 0.371 8.752 1.00 . A A . 41 LYS NZ 1 1 5 3951 1 1 41 LYS O O -7.714 2.016 8.330 1.00 . A A . 41 LYS O 1 1 5 3952 1 1 42 ARG C C -6.991 -0.251 5.918 1.00 . A A . 42 ARG C 1 1 5 3953 1 1 42 ARG CA C -8.119 -0.336 6.942 1.00 . A A . 42 ARG CA 1 1 5 3954 1 1 42 ARG CB C -8.925 -1.616 6.707 1.00 . A A . 42 ARG CB 1 1 5 3955 1 1 42 ARG CD C -10.202 -2.285 8.764 1.00 . A A . 42 ARG CD 1 1 5 3956 1 1 42 ARG CG C -10.284 -1.636 7.391 1.00 . A A . 42 ARG CG 1 1 5 3957 1 1 42 ARG CZ C -12.384 -2.355 9.923 1.00 . A A . 42 ARG CZ 1 1 5 3958 1 1 42 ARG H H -9.760 0.831 6.305 1.00 . A A . 42 ARG H 1 1 5 3959 1 1 42 ARG HA H -7.689 -0.373 7.927 1.00 . A A . 42 ARG HA 1 1 5 3960 1 1 42 ARG HB2 H -9.079 -1.738 5.647 1.00 . A A . 42 ARG HB2 1 1 5 3961 1 1 42 ARG HB3 H -8.352 -2.456 7.073 1.00 . A A . 42 ARG HB3 1 1 5 3962 1 1 42 ARG HD2 H -9.422 -3.033 8.745 1.00 . A A . 42 ARG HD2 1 1 5 3963 1 1 42 ARG HD3 H -9.952 -1.530 9.493 1.00 . A A . 42 ARG HD3 1 1 5 3964 1 1 42 ARG HE H -11.624 -3.832 8.815 1.00 . A A . 42 ARG HE 1 1 5 3965 1 1 42 ARG HG2 H -10.639 -0.624 7.503 1.00 . A A . 42 ARG HG2 1 1 5 3966 1 1 42 ARG HG3 H -10.975 -2.200 6.779 1.00 . A A . 42 ARG HG3 1 1 5 3967 1 1 42 ARG HH11 H -11.384 -0.613 10.158 1.00 . A A . 42 ARG HH11 1 1 5 3968 1 1 42 ARG HH12 H -12.908 -0.709 10.972 1.00 . A A . 42 ARG HH12 1 1 5 3969 1 1 42 ARG HH21 H -13.631 -3.945 9.879 1.00 . A A . 42 ARG HH21 1 1 5 3970 1 1 42 ARG HH22 H -14.184 -2.594 10.811 1.00 . A A . 42 ARG HH22 1 1 5 3971 1 1 42 ARG N N -8.971 0.842 6.880 1.00 . A A . 42 ARG N 1 1 5 3972 1 1 42 ARG NE N -11.460 -2.925 9.148 1.00 . A A . 42 ARG NE 1 1 5 3973 1 1 42 ARG NH1 N -12.210 -1.124 10.388 1.00 . A A . 42 ARG NH1 1 1 5 3974 1 1 42 ARG NH2 N -13.491 -3.020 10.229 1.00 . A A . 42 ARG NH2 1 1 5 3975 1 1 42 ARG O O -5.897 -0.767 6.145 1.00 . A A . 42 ARG O 1 1 5 3976 1 1 43 ASN C C -5.257 1.533 4.047 1.00 . A A . 43 ASN C 1 1 5 3977 1 1 43 ASN CA C -6.299 0.474 3.705 1.00 . A A . 43 ASN CA 1 1 5 3978 1 1 43 ASN CB C -7.020 0.862 2.420 1.00 . A A . 43 ASN CB 1 1 5 3979 1 1 43 ASN CG C -6.624 -0.020 1.273 1.00 . A A . 43 ASN CG 1 1 5 3980 1 1 43 ASN H H -8.176 0.709 4.618 1.00 . A A . 43 ASN H 1 1 5 3981 1 1 43 ASN HA H -5.814 -0.480 3.579 1.00 . A A . 43 ASN HA 1 1 5 3982 1 1 43 ASN HB2 H -8.086 0.771 2.568 1.00 . A A . 43 ASN HB2 1 1 5 3983 1 1 43 ASN HB3 H -6.781 1.884 2.165 1.00 . A A . 43 ASN HB3 1 1 5 3984 1 1 43 ASN HD21 H -7.893 -1.367 1.978 1.00 . A A . 43 ASN HD21 1 1 5 3985 1 1 43 ASN HD22 H -7.043 -1.810 0.525 1.00 . A A . 43 ASN HD22 1 1 5 3986 1 1 43 ASN N N -7.275 0.361 4.771 1.00 . A A . 43 ASN N 1 1 5 3987 1 1 43 ASN ND2 N -7.245 -1.185 1.253 1.00 . A A . 43 ASN ND2 1 1 5 3988 1 1 43 ASN O O -5.241 2.620 3.469 1.00 . A A . 43 ASN O 1 1 5 3989 1 1 43 ASN OD1 O -5.789 0.326 0.438 1.00 . A A . 43 ASN OD1 1 1 5 3990 1 1 44 ASN C C -2.169 1.426 6.051 1.00 . A A . 44 ASN C 1 1 5 3991 1 1 44 ASN CA C -3.356 2.148 5.423 1.00 . A A . 44 ASN CA 1 1 5 3992 1 1 44 ASN CB C -3.935 3.151 6.423 1.00 . A A . 44 ASN CB 1 1 5 3993 1 1 44 ASN CG C -4.492 2.476 7.661 1.00 . A A . 44 ASN CG 1 1 5 3994 1 1 44 ASN H H -4.455 0.337 5.432 1.00 . A A . 44 ASN H 1 1 5 3995 1 1 44 ASN HA H -3.015 2.683 4.548 1.00 . A A . 44 ASN HA 1 1 5 3996 1 1 44 ASN HB2 H -3.158 3.836 6.728 1.00 . A A . 44 ASN HB2 1 1 5 3997 1 1 44 ASN HB3 H -4.731 3.704 5.947 1.00 . A A . 44 ASN HB3 1 1 5 3998 1 1 44 ASN HD21 H -4.532 4.215 8.623 1.00 . A A . 44 ASN HD21 1 1 5 3999 1 1 44 ASN HD22 H -5.085 2.848 9.523 1.00 . A A . 44 ASN HD22 1 1 5 4000 1 1 44 ASN N N -4.392 1.214 5.001 1.00 . A A . 44 ASN N 1 1 5 4001 1 1 44 ASN ND2 N -4.728 3.258 8.707 1.00 . A A . 44 ASN ND2 1 1 5 4002 1 1 44 ASN O O -2.159 1.169 7.255 1.00 . A A . 44 ASN O 1 1 5 4003 1 1 44 ASN OD1 O -4.708 1.263 7.676 1.00 . A A . 44 ASN OD1 1 1 5 4004 1 1 45 PHE C C 1.197 1.410 5.776 1.00 . A A . 45 PHE C 1 1 5 4005 1 1 45 PHE CA C 0.024 0.435 5.732 1.00 . A A . 45 PHE CA 1 1 5 4006 1 1 45 PHE CB C 0.347 -0.761 4.838 1.00 . A A . 45 PHE CB 1 1 5 4007 1 1 45 PHE CD1 C -0.836 -2.757 5.797 1.00 . A A . 45 PHE CD1 1 1 5 4008 1 1 45 PHE CD2 C -1.712 -1.764 3.813 1.00 . A A . 45 PHE CD2 1 1 5 4009 1 1 45 PHE CE1 C -1.856 -3.691 5.785 1.00 . A A . 45 PHE CE1 1 1 5 4010 1 1 45 PHE CE2 C -2.734 -2.696 3.794 1.00 . A A . 45 PHE CE2 1 1 5 4011 1 1 45 PHE CG C -0.753 -1.784 4.813 1.00 . A A . 45 PHE CG 1 1 5 4012 1 1 45 PHE CZ C -2.807 -3.661 4.781 1.00 . A A . 45 PHE CZ 1 1 5 4013 1 1 45 PHE H H -1.215 1.340 4.290 1.00 . A A . 45 PHE H 1 1 5 4014 1 1 45 PHE HA H -0.182 0.081 6.735 1.00 . A A . 45 PHE HA 1 1 5 4015 1 1 45 PHE HB2 H 0.507 -0.415 3.825 1.00 . A A . 45 PHE HB2 1 1 5 4016 1 1 45 PHE HB3 H 1.243 -1.239 5.199 1.00 . A A . 45 PHE HB3 1 1 5 4017 1 1 45 PHE HD1 H -0.095 -2.784 6.581 1.00 . A A . 45 PHE HD1 1 1 5 4018 1 1 45 PHE HD2 H -1.658 -1.012 3.042 1.00 . A A . 45 PHE HD2 1 1 5 4019 1 1 45 PHE HE1 H -1.909 -4.443 6.556 1.00 . A A . 45 PHE HE1 1 1 5 4020 1 1 45 PHE HE2 H -3.475 -2.668 3.009 1.00 . A A . 45 PHE HE2 1 1 5 4021 1 1 45 PHE HZ H -3.604 -4.388 4.768 1.00 . A A . 45 PHE HZ 1 1 5 4022 1 1 45 PHE N N -1.163 1.111 5.240 1.00 . A A . 45 PHE N 1 1 5 4023 1 1 45 PHE O O 1.452 2.132 4.810 1.00 . A A . 45 PHE O 1 1 5 4024 1 1 46 LYS C C 4.149 2.052 6.094 1.00 . A A . 46 LYS C 1 1 5 4025 1 1 46 LYS CA C 3.026 2.350 7.085 1.00 . A A . 46 LYS CA 1 1 5 4026 1 1 46 LYS CB C 3.557 2.266 8.518 1.00 . A A . 46 LYS CB 1 1 5 4027 1 1 46 LYS CD C 2.705 0.386 9.958 1.00 . A A . 46 LYS CD 1 1 5 4028 1 1 46 LYS CE C 3.111 0.583 11.411 1.00 . A A . 46 LYS CE 1 1 5 4029 1 1 46 LYS CG C 3.797 0.845 9.002 1.00 . A A . 46 LYS CG 1 1 5 4030 1 1 46 LYS H H 1.632 0.858 7.650 1.00 . A A . 46 LYS H 1 1 5 4031 1 1 46 LYS HA H 2.672 3.354 6.906 1.00 . A A . 46 LYS HA 1 1 5 4032 1 1 46 LYS HB2 H 4.493 2.804 8.576 1.00 . A A . 46 LYS HB2 1 1 5 4033 1 1 46 LYS HB3 H 2.843 2.734 9.181 1.00 . A A . 46 LYS HB3 1 1 5 4034 1 1 46 LYS HD2 H 1.810 0.958 9.767 1.00 . A A . 46 LYS HD2 1 1 5 4035 1 1 46 LYS HD3 H 2.508 -0.661 9.787 1.00 . A A . 46 LYS HD3 1 1 5 4036 1 1 46 LYS HE2 H 3.118 1.639 11.632 1.00 . A A . 46 LYS HE2 1 1 5 4037 1 1 46 LYS HE3 H 2.386 0.089 12.043 1.00 . A A . 46 LYS HE3 1 1 5 4038 1 1 46 LYS HG2 H 3.815 0.183 8.150 1.00 . A A . 46 LYS HG2 1 1 5 4039 1 1 46 LYS HG3 H 4.749 0.805 9.512 1.00 . A A . 46 LYS HG3 1 1 5 4040 1 1 46 LYS HZ1 H 5.169 0.784 11.711 1.00 . A A . 46 LYS HZ1 1 1 5 4041 1 1 46 LYS HZ2 H 4.727 -0.663 10.959 1.00 . A A . 46 LYS HZ2 1 1 5 4042 1 1 46 LYS HZ3 H 4.464 -0.458 12.618 1.00 . A A . 46 LYS HZ3 1 1 5 4043 1 1 46 LYS N N 1.894 1.446 6.909 1.00 . A A . 46 LYS N 1 1 5 4044 1 1 46 LYS NZ N 4.462 0.022 11.694 1.00 . A A . 46 LYS NZ 1 1 5 4045 1 1 46 LYS O O 5.081 2.844 5.950 1.00 . A A . 46 LYS O 1 1 5 4046 1 1 47 SER C C 4.523 -0.428 3.408 1.00 . A A . 47 SER C 1 1 5 4047 1 1 47 SER CA C 5.081 0.533 4.444 1.00 . A A . 47 SER CA 1 1 5 4048 1 1 47 SER CB C 6.272 -0.117 5.148 1.00 . A A . 47 SER CB 1 1 5 4049 1 1 47 SER H H 3.303 0.316 5.565 1.00 . A A . 47 SER H 1 1 5 4050 1 1 47 SER HA H 5.416 1.428 3.944 1.00 . A A . 47 SER HA 1 1 5 4051 1 1 47 SER HB2 H 6.565 -1.009 4.610 1.00 . A A . 47 SER HB2 1 1 5 4052 1 1 47 SER HB3 H 7.095 0.579 5.167 1.00 . A A . 47 SER HB3 1 1 5 4053 1 1 47 SER HG H 5.796 -1.428 6.525 1.00 . A A . 47 SER HG 1 1 5 4054 1 1 47 SER N N 4.064 0.913 5.414 1.00 . A A . 47 SER N 1 1 5 4055 1 1 47 SER O O 3.640 -1.236 3.704 1.00 . A A . 47 SER O 1 1 5 4056 1 1 47 SER OG O 5.946 -0.480 6.480 1.00 . A A . 47 SER OG 1 1 5 4057 1 1 48 ALA C C 4.843 -2.683 1.546 1.00 . A A . 48 ALA C 1 1 5 4058 1 1 48 ALA CA C 4.619 -1.244 1.130 1.00 . A A . 48 ALA CA 1 1 5 4059 1 1 48 ALA CB C 5.347 -0.936 -0.171 1.00 . A A . 48 ALA CB 1 1 5 4060 1 1 48 ALA H H 5.774 0.291 2.023 1.00 . A A . 48 ALA H 1 1 5 4061 1 1 48 ALA HA H 3.557 -1.086 0.981 1.00 . A A . 48 ALA HA 1 1 5 4062 1 1 48 ALA HB1 H 5.803 -1.838 -0.550 1.00 . A A . 48 ALA HB1 1 1 5 4063 1 1 48 ALA HB2 H 6.113 -0.197 0.011 1.00 . A A . 48 ALA HB2 1 1 5 4064 1 1 48 ALA HB3 H 4.643 -0.556 -0.897 1.00 . A A . 48 ALA HB3 1 1 5 4065 1 1 48 ALA N N 5.059 -0.357 2.195 1.00 . A A . 48 ALA N 1 1 5 4066 1 1 48 ALA O O 4.029 -3.559 1.259 1.00 . A A . 48 ALA O 1 1 5 4067 1 1 49 GLU C C 5.099 -4.675 3.675 1.00 . A A . 49 GLU C 1 1 5 4068 1 1 49 GLU CA C 6.234 -4.241 2.764 1.00 . A A . 49 GLU CA 1 1 5 4069 1 1 49 GLU CB C 7.566 -4.253 3.519 1.00 . A A . 49 GLU CB 1 1 5 4070 1 1 49 GLU CD C 9.020 -6.109 4.432 1.00 . A A . 49 GLU CD 1 1 5 4071 1 1 49 GLU CG C 8.441 -5.453 3.194 1.00 . A A . 49 GLU CG 1 1 5 4072 1 1 49 GLU H H 6.530 -2.169 2.493 1.00 . A A . 49 GLU H 1 1 5 4073 1 1 49 GLU HA H 6.289 -4.913 1.921 1.00 . A A . 49 GLU HA 1 1 5 4074 1 1 49 GLU HB2 H 8.116 -3.357 3.269 1.00 . A A . 49 GLU HB2 1 1 5 4075 1 1 49 GLU HB3 H 7.367 -4.257 4.580 1.00 . A A . 49 GLU HB3 1 1 5 4076 1 1 49 GLU HG2 H 7.846 -6.182 2.664 1.00 . A A . 49 GLU HG2 1 1 5 4077 1 1 49 GLU HG3 H 9.256 -5.127 2.564 1.00 . A A . 49 GLU HG3 1 1 5 4078 1 1 49 GLU N N 5.935 -2.913 2.267 1.00 . A A . 49 GLU N 1 1 5 4079 1 1 49 GLU O O 4.674 -5.828 3.659 1.00 . A A . 49 GLU O 1 1 5 4080 1 1 49 GLU OE1 O 9.018 -5.462 5.501 1.00 . A A . 49 GLU OE1 1 1 5 4081 1 1 49 GLU OE2 O 9.471 -7.269 4.334 1.00 . A A . 49 GLU OE2 1 1 5 4082 1 1 50 ASP C C 2.215 -4.278 4.563 1.00 . A A . 50 ASP C 1 1 5 4083 1 1 50 ASP CA C 3.484 -3.966 5.356 1.00 . A A . 50 ASP CA 1 1 5 4084 1 1 50 ASP CB C 3.260 -2.766 6.279 1.00 . A A . 50 ASP CB 1 1 5 4085 1 1 50 ASP CG C 3.507 -3.105 7.736 1.00 . A A . 50 ASP CG 1 1 5 4086 1 1 50 ASP H H 4.970 -2.806 4.397 1.00 . A A . 50 ASP H 1 1 5 4087 1 1 50 ASP HA H 3.736 -4.828 5.955 1.00 . A A . 50 ASP HA 1 1 5 4088 1 1 50 ASP HB2 H 3.932 -1.969 5.996 1.00 . A A . 50 ASP HB2 1 1 5 4089 1 1 50 ASP HB3 H 2.239 -2.426 6.177 1.00 . A A . 50 ASP HB3 1 1 5 4090 1 1 50 ASP N N 4.594 -3.714 4.452 1.00 . A A . 50 ASP N 1 1 5 4091 1 1 50 ASP O O 1.507 -5.238 4.870 1.00 . A A . 50 ASP O 1 1 5 4092 1 1 50 ASP OD1 O 2.923 -4.097 8.221 1.00 . A A . 50 ASP OD1 1 1 5 4093 1 1 50 ASP OD2 O 4.282 -2.379 8.392 1.00 . A A . 50 ASP OD2 1 1 5 4094 1 1 51 CYS C C 0.814 -5.059 2.041 1.00 . A A . 51 CYS C 1 1 5 4095 1 1 51 CYS CA C 0.745 -3.688 2.707 1.00 . A A . 51 CYS CA 1 1 5 4096 1 1 51 CYS CB C 0.640 -2.584 1.646 1.00 . A A . 51 CYS CB 1 1 5 4097 1 1 51 CYS H H 2.528 -2.711 3.321 1.00 . A A . 51 CYS H 1 1 5 4098 1 1 51 CYS HA H -0.125 -3.651 3.347 1.00 . A A . 51 CYS HA 1 1 5 4099 1 1 51 CYS HB2 H 0.257 -1.688 2.112 1.00 . A A . 51 CYS HB2 1 1 5 4100 1 1 51 CYS HB3 H 1.630 -2.385 1.250 1.00 . A A . 51 CYS HB3 1 1 5 4101 1 1 51 CYS N N 1.930 -3.470 3.534 1.00 . A A . 51 CYS N 1 1 5 4102 1 1 51 CYS O O -0.085 -5.884 2.194 1.00 . A A . 51 CYS O 1 1 5 4103 1 1 51 CYS SG S -0.454 -2.975 0.235 1.00 . A A . 51 CYS SG 1 1 5 4104 1 1 52 LEU C C 1.961 -7.752 1.575 1.00 . A A . 52 LEU C 1 1 5 4105 1 1 52 LEU CA C 2.104 -6.566 0.624 1.00 . A A . 52 LEU CA 1 1 5 4106 1 1 52 LEU CB C 3.485 -6.591 -0.029 1.00 . A A . 52 LEU CB 1 1 5 4107 1 1 52 LEU CD1 C 5.031 -5.825 -1.843 1.00 . A A . 52 LEU CD1 1 1 5 4108 1 1 52 LEU CD2 C 2.574 -5.973 -2.280 1.00 . A A . 52 LEU CD2 1 1 5 4109 1 1 52 LEU CG C 3.644 -5.673 -1.240 1.00 . A A . 52 LEU CG 1 1 5 4110 1 1 52 LEU H H 2.585 -4.604 1.242 1.00 . A A . 52 LEU H 1 1 5 4111 1 1 52 LEU HA H 1.351 -6.646 -0.148 1.00 . A A . 52 LEU HA 1 1 5 4112 1 1 52 LEU HB2 H 4.217 -6.302 0.714 1.00 . A A . 52 LEU HB2 1 1 5 4113 1 1 52 LEU HB3 H 3.695 -7.601 -0.340 1.00 . A A . 52 LEU HB3 1 1 5 4114 1 1 52 LEU HD11 H 4.991 -5.593 -2.896 1.00 . A A . 52 LEU HD11 1 1 5 4115 1 1 52 LEU HD12 H 5.371 -6.840 -1.710 1.00 . A A . 52 LEU HD12 1 1 5 4116 1 1 52 LEU HD13 H 5.712 -5.148 -1.350 1.00 . A A . 52 LEU HD13 1 1 5 4117 1 1 52 LEU HD21 H 1.601 -5.746 -1.872 1.00 . A A . 52 LEU HD21 1 1 5 4118 1 1 52 LEU HD22 H 2.616 -7.017 -2.552 1.00 . A A . 52 LEU HD22 1 1 5 4119 1 1 52 LEU HD23 H 2.745 -5.366 -3.156 1.00 . A A . 52 LEU HD23 1 1 5 4120 1 1 52 LEU HG H 3.526 -4.647 -0.924 1.00 . A A . 52 LEU HG 1 1 5 4121 1 1 52 LEU N N 1.900 -5.299 1.314 1.00 . A A . 52 LEU N 1 1 5 4122 1 1 52 LEU O O 1.351 -8.760 1.234 1.00 . A A . 52 LEU O 1 1 5 4123 1 1 53 ARG C C 1.003 -9.034 4.103 1.00 . A A . 53 ARG C 1 1 5 4124 1 1 53 ARG CA C 2.452 -8.706 3.752 1.00 . A A . 53 ARG CA 1 1 5 4125 1 1 53 ARG CB C 3.221 -8.324 5.020 1.00 . A A . 53 ARG CB 1 1 5 4126 1 1 53 ARG CD C 5.172 -8.766 6.535 1.00 . A A . 53 ARG CD 1 1 5 4127 1 1 53 ARG CG C 4.399 -9.237 5.315 1.00 . A A . 53 ARG CG 1 1 5 4128 1 1 53 ARG CZ C 4.534 -7.810 8.718 1.00 . A A . 53 ARG CZ 1 1 5 4129 1 1 53 ARG H H 3.001 -6.803 2.994 1.00 . A A . 53 ARG H 1 1 5 4130 1 1 53 ARG HA H 2.910 -9.583 3.315 1.00 . A A . 53 ARG HA 1 1 5 4131 1 1 53 ARG HB2 H 3.595 -7.318 4.915 1.00 . A A . 53 ARG HB2 1 1 5 4132 1 1 53 ARG HB3 H 2.547 -8.361 5.864 1.00 . A A . 53 ARG HB3 1 1 5 4133 1 1 53 ARG HD2 H 5.962 -9.473 6.741 1.00 . A A . 53 ARG HD2 1 1 5 4134 1 1 53 ARG HD3 H 5.600 -7.799 6.319 1.00 . A A . 53 ARG HD3 1 1 5 4135 1 1 53 ARG HE H 3.531 -9.243 7.758 1.00 . A A . 53 ARG HE 1 1 5 4136 1 1 53 ARG HG2 H 4.033 -10.237 5.495 1.00 . A A . 53 ARG HG2 1 1 5 4137 1 1 53 ARG HG3 H 5.060 -9.242 4.461 1.00 . A A . 53 ARG HG3 1 1 5 4138 1 1 53 ARG HH11 H 6.229 -7.028 7.935 1.00 . A A . 53 ARG HH11 1 1 5 4139 1 1 53 ARG HH12 H 5.745 -6.370 9.460 1.00 . A A . 53 ARG HH12 1 1 5 4140 1 1 53 ARG HH21 H 2.902 -8.379 9.765 1.00 . A A . 53 ARG HH21 1 1 5 4141 1 1 53 ARG HH22 H 3.859 -7.136 10.501 1.00 . A A . 53 ARG HH22 1 1 5 4142 1 1 53 ARG N N 2.525 -7.629 2.769 1.00 . A A . 53 ARG N 1 1 5 4143 1 1 53 ARG NE N 4.314 -8.656 7.714 1.00 . A A . 53 ARG NE 1 1 5 4144 1 1 53 ARG NH1 N 5.590 -7.004 8.703 1.00 . A A . 53 ARG NH1 1 1 5 4145 1 1 53 ARG NH2 N 3.697 -7.772 9.746 1.00 . A A . 53 ARG NH2 1 1 5 4146 1 1 53 ARG O O 0.590 -10.192 4.058 1.00 . A A . 53 ARG O 1 1 5 4147 1 1 54 THR C C -2.065 -8.349 3.620 1.00 . A A . 54 THR C 1 1 5 4148 1 1 54 THR CA C -1.159 -8.188 4.839 1.00 . A A . 54 THR CA 1 1 5 4149 1 1 54 THR CB C -1.632 -7.001 5.680 1.00 . A A . 54 THR CB 1 1 5 4150 1 1 54 THR CG2 C -3.034 -7.177 6.226 1.00 . A A . 54 THR CG2 1 1 5 4151 1 1 54 THR H H 0.629 -7.109 4.485 1.00 . A A . 54 THR H 1 1 5 4152 1 1 54 THR HA H -1.225 -9.083 5.438 1.00 . A A . 54 THR HA 1 1 5 4153 1 1 54 THR HB H -1.625 -6.108 5.069 1.00 . A A . 54 THR HB 1 1 5 4154 1 1 54 THR HG1 H -1.100 -6.076 7.324 1.00 . A A . 54 THR HG1 1 1 5 4155 1 1 54 THR HG21 H -3.030 -7.949 6.982 1.00 . A A . 54 THR HG21 1 1 5 4156 1 1 54 THR HG22 H -3.701 -7.459 5.425 1.00 . A A . 54 THR HG22 1 1 5 4157 1 1 54 THR HG23 H -3.369 -6.248 6.665 1.00 . A A . 54 THR HG23 1 1 5 4158 1 1 54 THR N N 0.241 -8.009 4.463 1.00 . A A . 54 THR N 1 1 5 4159 1 1 54 THR O O -2.779 -9.344 3.492 1.00 . A A . 54 THR O 1 1 5 4160 1 1 54 THR OG1 O -0.766 -6.794 6.782 1.00 . A A . 54 THR OG1 1 1 5 4161 1 1 55 CYS C C -2.350 -8.287 0.471 1.00 . A A . 55 CYS C 1 1 5 4162 1 1 55 CYS CA C -2.902 -7.368 1.558 1.00 . A A . 55 CYS CA 1 1 5 4163 1 1 55 CYS CB C -3.069 -5.950 1.005 1.00 . A A . 55 CYS CB 1 1 5 4164 1 1 55 CYS H H -1.490 -6.570 2.915 1.00 . A A . 55 CYS H 1 1 5 4165 1 1 55 CYS HA H -3.865 -7.738 1.859 1.00 . A A . 55 CYS HA 1 1 5 4166 1 1 55 CYS HB2 H -2.122 -5.429 1.055 1.00 . A A . 55 CYS HB2 1 1 5 4167 1 1 55 CYS HB3 H -3.383 -6.012 -0.026 1.00 . A A . 55 CYS HB3 1 1 5 4168 1 1 55 CYS N N -2.058 -7.349 2.746 1.00 . A A . 55 CYS N 1 1 5 4169 1 1 55 CYS O O -3.110 -9.002 -0.185 1.00 . A A . 55 CYS O 1 1 5 4170 1 1 55 CYS SG S -4.303 -4.951 1.896 1.00 . A A . 55 CYS SG 1 1 5 4171 1 1 56 GLY C C -0.493 -10.576 -0.404 1.00 . A A . 56 GLY C 1 1 5 4172 1 1 56 GLY CA C -0.434 -9.100 -0.753 1.00 . A A . 56 GLY CA 1 1 5 4173 1 1 56 GLY H H -0.475 -7.670 0.815 1.00 . A A . 56 GLY H 1 1 5 4174 1 1 56 GLY HA2 H -0.959 -8.943 -1.683 1.00 . A A . 56 GLY HA2 1 1 5 4175 1 1 56 GLY HA3 H 0.601 -8.810 -0.883 1.00 . A A . 56 GLY HA3 1 1 5 4176 1 1 56 GLY N N -1.039 -8.262 0.270 1.00 . A A . 56 GLY N 1 1 5 4177 1 1 56 GLY O O -1.328 -11.311 -0.933 1.00 . A A . 56 GLY O 1 1 5 4178 1 1 57 GLY C C -0.952 -12.925 1.283 1.00 . A A . 57 GLY C 1 1 5 4179 1 1 57 GLY CA C 0.419 -12.406 0.892 1.00 . A A . 57 GLY CA 1 1 5 4180 1 1 57 GLY H H 1.033 -10.379 0.876 1.00 . A A . 57 GLY H 1 1 5 4181 1 1 57 GLY HA2 H 0.797 -13.000 0.072 1.00 . A A . 57 GLY HA2 1 1 5 4182 1 1 57 GLY HA3 H 1.085 -12.512 1.734 1.00 . A A . 57 GLY HA3 1 1 5 4183 1 1 57 GLY N N 0.392 -11.011 0.488 1.00 . A A . 57 GLY N 1 1 5 4184 1 1 57 GLY O O -1.630 -12.335 2.124 1.00 . A A . 57 GLY O 1 1 5 4185 1 1 58 ALA C C -2.722 -16.066 0.447 1.00 . A A . 58 ALA C 1 1 5 4186 1 1 58 ALA CA C -2.655 -14.632 0.958 1.00 . A A . 58 ALA CA 1 1 5 4187 1 1 58 ALA CB C -3.767 -13.798 0.341 1.00 . A A . 58 ALA CB 1 1 5 4188 1 1 58 ALA H H -0.772 -14.454 0.009 1.00 . A A . 58 ALA H 1 1 5 4189 1 1 58 ALA HA H -2.791 -14.633 2.029 1.00 . A A . 58 ALA HA 1 1 5 4190 1 1 58 ALA HB1 H -4.722 -14.151 0.699 1.00 . A A . 58 ALA HB1 1 1 5 4191 1 1 58 ALA HB2 H -3.729 -13.888 -0.734 1.00 . A A . 58 ALA HB2 1 1 5 4192 1 1 58 ALA HB3 H -3.637 -12.763 0.621 1.00 . A A . 58 ALA HB3 1 1 5 4193 1 1 58 ALA N N -1.358 -14.032 0.670 1.00 . A A . 58 ALA N 1 1 5 4194 1 1 58 ALA O O -3.427 -16.884 1.074 1.00 . A A . 58 ALA O 1 1 5 4195 1 1 58 ALA OXT O -2.069 -16.360 -0.577 1.00 . A A . 58 ALA OXT 1 1 6 4196 1 1 1 ARG C C -8.268 -9.963 1.207 1.00 . A A . 1 ARG C 1 1 6 4197 1 1 1 ARG CA C -7.340 -10.504 0.122 1.00 . A A . 1 ARG CA 1 1 6 4198 1 1 1 ARG CB C -7.120 -9.450 -0.965 1.00 . A A . 1 ARG CB 1 1 6 4199 1 1 1 ARG CD C -8.595 -9.530 -3.004 1.00 . A A . 1 ARG CD 1 1 6 4200 1 1 1 ARG CG C -8.409 -8.958 -1.607 1.00 . A A . 1 ARG CG 1 1 6 4201 1 1 1 ARG CZ C -9.819 -11.392 -4.055 1.00 . A A . 1 ARG CZ 1 1 6 4202 1 1 1 ARG H1 H -8.916 -11.551 -0.682 1.00 . A A . 1 ARG H1 1 1 6 4203 1 1 1 ARG H2 H -7.769 -12.516 0.154 1.00 . A A . 1 ARG H2 1 1 6 4204 1 1 1 ARG H3 H -7.397 -11.888 -1.399 1.00 . A A . 1 ARG H3 1 1 6 4205 1 1 1 ARG HA H -6.390 -10.757 0.568 1.00 . A A . 1 ARG HA 1 1 6 4206 1 1 1 ARG HB2 H -6.614 -8.602 -0.529 1.00 . A A . 1 ARG HB2 1 1 6 4207 1 1 1 ARG HB3 H -6.496 -9.873 -1.738 1.00 . A A . 1 ARG HB3 1 1 6 4208 1 1 1 ARG HD2 H -8.852 -8.725 -3.677 1.00 . A A . 1 ARG HD2 1 1 6 4209 1 1 1 ARG HD3 H -7.667 -9.981 -3.323 1.00 . A A . 1 ARG HD3 1 1 6 4210 1 1 1 ARG HE H -10.269 -10.578 -2.289 1.00 . A A . 1 ARG HE 1 1 6 4211 1 1 1 ARG HG2 H -9.243 -9.260 -0.993 1.00 . A A . 1 ARG HG2 1 1 6 4212 1 1 1 ARG HG3 H -8.377 -7.880 -1.670 1.00 . A A . 1 ARG HG3 1 1 6 4213 1 1 1 ARG HH11 H -8.249 -10.709 -5.132 1.00 . A A . 1 ARG HH11 1 1 6 4214 1 1 1 ARG HH12 H -9.131 -12.015 -5.851 1.00 . A A . 1 ARG HH12 1 1 6 4215 1 1 1 ARG HH21 H -11.430 -12.294 -3.234 1.00 . A A . 1 ARG HH21 1 1 6 4216 1 1 1 ARG HH22 H -10.937 -12.914 -4.774 1.00 . A A . 1 ARG HH22 1 1 6 4217 1 1 1 ARG N N -7.907 -11.725 -0.509 1.00 . A A . 1 ARG N 1 1 6 4218 1 1 1 ARG NE N -9.651 -10.537 -3.049 1.00 . A A . 1 ARG NE 1 1 6 4219 1 1 1 ARG NH1 N -8.999 -11.370 -5.098 1.00 . A A . 1 ARG NH1 1 1 6 4220 1 1 1 ARG NH2 N -10.810 -12.273 -4.018 1.00 . A A . 1 ARG NH2 1 1 6 4221 1 1 1 ARG O O -9.484 -10.143 1.139 1.00 . A A . 1 ARG O 1 1 6 4222 1 1 2 PRO C C -9.503 -7.691 2.837 1.00 . A A . 2 PRO C 1 1 6 4223 1 1 2 PRO CA C -8.498 -8.732 3.327 1.00 . A A . 2 PRO CA 1 1 6 4224 1 1 2 PRO CB C -7.454 -8.092 4.251 1.00 . A A . 2 PRO CB 1 1 6 4225 1 1 2 PRO CD C -6.267 -9.036 2.396 1.00 . A A . 2 PRO CD 1 1 6 4226 1 1 2 PRO CG C -6.148 -8.695 3.853 1.00 . A A . 2 PRO CG 1 1 6 4227 1 1 2 PRO HA H -9.027 -9.506 3.862 1.00 . A A . 2 PRO HA 1 1 6 4228 1 1 2 PRO HB2 H -7.454 -7.022 4.108 1.00 . A A . 2 PRO HB2 1 1 6 4229 1 1 2 PRO HB3 H -7.694 -8.326 5.280 1.00 . A A . 2 PRO HB3 1 1 6 4230 1 1 2 PRO HD2 H -5.949 -8.203 1.785 1.00 . A A . 2 PRO HD2 1 1 6 4231 1 1 2 PRO HD3 H -5.688 -9.919 2.167 1.00 . A A . 2 PRO HD3 1 1 6 4232 1 1 2 PRO HG2 H -5.351 -7.981 4.007 1.00 . A A . 2 PRO HG2 1 1 6 4233 1 1 2 PRO HG3 H -5.966 -9.590 4.432 1.00 . A A . 2 PRO HG3 1 1 6 4234 1 1 2 PRO N N -7.706 -9.293 2.229 1.00 . A A . 2 PRO N 1 1 6 4235 1 1 2 PRO O O -9.206 -6.881 1.959 1.00 . A A . 2 PRO O 1 1 6 4236 1 1 3 ASP C C -11.300 -5.379 2.902 1.00 . A A . 3 ASP C 1 1 6 4237 1 1 3 ASP CA C -11.780 -6.825 3.016 1.00 . A A . 3 ASP CA 1 1 6 4238 1 1 3 ASP CB C -12.922 -6.906 4.033 1.00 . A A . 3 ASP CB 1 1 6 4239 1 1 3 ASP CG C -14.267 -7.146 3.374 1.00 . A A . 3 ASP CG 1 1 6 4240 1 1 3 ASP H H -10.883 -8.420 4.079 1.00 . A A . 3 ASP H 1 1 6 4241 1 1 3 ASP HA H -12.153 -7.140 2.052 1.00 . A A . 3 ASP HA 1 1 6 4242 1 1 3 ASP HB2 H -12.728 -7.717 4.719 1.00 . A A . 3 ASP HB2 1 1 6 4243 1 1 3 ASP HB3 H -12.973 -5.978 4.586 1.00 . A A . 3 ASP HB3 1 1 6 4244 1 1 3 ASP N N -10.706 -7.740 3.397 1.00 . A A . 3 ASP N 1 1 6 4245 1 1 3 ASP O O -11.380 -4.772 1.836 1.00 . A A . 3 ASP O 1 1 6 4246 1 1 3 ASP OD1 O -14.539 -6.513 2.332 1.00 . A A . 3 ASP OD1 1 1 6 4247 1 1 3 ASP OD2 O -15.047 -7.968 3.899 1.00 . A A . 3 ASP OD2 1 1 6 4248 1 1 4 PHE C C -9.348 -3.139 2.937 1.00 . A A . 4 PHE C 1 1 6 4249 1 1 4 PHE CA C -10.362 -3.439 4.039 1.00 . A A . 4 PHE CA 1 1 6 4250 1 1 4 PHE CB C -9.745 -3.112 5.397 1.00 . A A . 4 PHE CB 1 1 6 4251 1 1 4 PHE CD1 C -7.450 -4.116 5.489 1.00 . A A . 4 PHE CD1 1 1 6 4252 1 1 4 PHE CD2 C -9.191 -5.152 6.744 1.00 . A A . 4 PHE CD2 1 1 6 4253 1 1 4 PHE CE1 C -6.556 -5.065 5.938 1.00 . A A . 4 PHE CE1 1 1 6 4254 1 1 4 PHE CE2 C -8.300 -6.105 7.196 1.00 . A A . 4 PHE CE2 1 1 6 4255 1 1 4 PHE CG C -8.776 -4.149 5.885 1.00 . A A . 4 PHE CG 1 1 6 4256 1 1 4 PHE CZ C -6.982 -6.061 6.792 1.00 . A A . 4 PHE CZ 1 1 6 4257 1 1 4 PHE H H -10.801 -5.353 4.835 1.00 . A A . 4 PHE H 1 1 6 4258 1 1 4 PHE HA H -11.226 -2.805 3.895 1.00 . A A . 4 PHE HA 1 1 6 4259 1 1 4 PHE HB2 H -9.212 -2.177 5.319 1.00 . A A . 4 PHE HB2 1 1 6 4260 1 1 4 PHE HB3 H -10.533 -3.017 6.131 1.00 . A A . 4 PHE HB3 1 1 6 4261 1 1 4 PHE HD1 H -7.117 -3.336 4.820 1.00 . A A . 4 PHE HD1 1 1 6 4262 1 1 4 PHE HD2 H -10.223 -5.186 7.060 1.00 . A A . 4 PHE HD2 1 1 6 4263 1 1 4 PHE HE1 H -5.523 -5.030 5.621 1.00 . A A . 4 PHE HE1 1 1 6 4264 1 1 4 PHE HE2 H -8.636 -6.883 7.864 1.00 . A A . 4 PHE HE2 1 1 6 4265 1 1 4 PHE HZ H -6.283 -6.806 7.145 1.00 . A A . 4 PHE HZ 1 1 6 4266 1 1 4 PHE N N -10.825 -4.825 4.010 1.00 . A A . 4 PHE N 1 1 6 4267 1 1 4 PHE O O -9.274 -2.014 2.450 1.00 . A A . 4 PHE O 1 1 6 4268 1 1 5 CYS C C -8.251 -3.537 0.179 1.00 . A A . 5 CYS C 1 1 6 4269 1 1 5 CYS CA C -7.584 -3.950 1.482 1.00 . A A . 5 CYS CA 1 1 6 4270 1 1 5 CYS CB C -6.751 -5.210 1.284 1.00 . A A . 5 CYS CB 1 1 6 4271 1 1 5 CYS H H -8.689 -5.027 2.934 1.00 . A A . 5 CYS H 1 1 6 4272 1 1 5 CYS HA H -6.926 -3.155 1.797 1.00 . A A . 5 CYS HA 1 1 6 4273 1 1 5 CYS HB2 H -7.401 -6.040 1.057 1.00 . A A . 5 CYS HB2 1 1 6 4274 1 1 5 CYS HB3 H -6.074 -5.052 0.461 1.00 . A A . 5 CYS HB3 1 1 6 4275 1 1 5 CYS N N -8.578 -4.143 2.533 1.00 . A A . 5 CYS N 1 1 6 4276 1 1 5 CYS O O -7.609 -2.994 -0.719 1.00 . A A . 5 CYS O 1 1 6 4277 1 1 5 CYS SG S -5.752 -5.661 2.740 1.00 . A A . 5 CYS SG 1 1 6 4278 1 1 6 LEU C C -10.704 -1.946 -1.079 1.00 . A A . 6 LEU C 1 1 6 4279 1 1 6 LEU CA C -10.318 -3.425 -1.099 1.00 . A A . 6 LEU CA 1 1 6 4280 1 1 6 LEU CB C -11.582 -4.282 -1.198 1.00 . A A . 6 LEU CB 1 1 6 4281 1 1 6 LEU CD1 C -12.716 -6.479 -0.792 1.00 . A A . 6 LEU CD1 1 1 6 4282 1 1 6 LEU CD2 C -10.567 -6.398 -2.072 1.00 . A A . 6 LEU CD2 1 1 6 4283 1 1 6 LEU CG C -11.375 -5.775 -0.943 1.00 . A A . 6 LEU CG 1 1 6 4284 1 1 6 LEU H H -10.008 -4.205 0.849 1.00 . A A . 6 LEU H 1 1 6 4285 1 1 6 LEU HA H -9.698 -3.612 -1.963 1.00 . A A . 6 LEU HA 1 1 6 4286 1 1 6 LEU HB2 H -12.300 -3.911 -0.481 1.00 . A A . 6 LEU HB2 1 1 6 4287 1 1 6 LEU HB3 H -11.995 -4.163 -2.188 1.00 . A A . 6 LEU HB3 1 1 6 4288 1 1 6 LEU HD11 H -13.374 -5.873 -0.188 1.00 . A A . 6 LEU HD11 1 1 6 4289 1 1 6 LEU HD12 H -12.567 -7.436 -0.314 1.00 . A A . 6 LEU HD12 1 1 6 4290 1 1 6 LEU HD13 H -13.155 -6.628 -1.767 1.00 . A A . 6 LEU HD13 1 1 6 4291 1 1 6 LEU HD21 H -10.809 -7.448 -2.151 1.00 . A A . 6 LEU HD21 1 1 6 4292 1 1 6 LEU HD22 H -9.513 -6.285 -1.864 1.00 . A A . 6 LEU HD22 1 1 6 4293 1 1 6 LEU HD23 H -10.806 -5.903 -3.001 1.00 . A A . 6 LEU HD23 1 1 6 4294 1 1 6 LEU HG H -10.827 -5.905 -0.022 1.00 . A A . 6 LEU HG 1 1 6 4295 1 1 6 LEU N N -9.553 -3.781 0.091 1.00 . A A . 6 LEU N 1 1 6 4296 1 1 6 LEU O O -11.157 -1.402 -2.086 1.00 . A A . 6 LEU O 1 1 6 4297 1 1 7 GLU C C -9.835 0.983 -0.524 1.00 . A A . 7 GLU C 1 1 6 4298 1 1 7 GLU CA C -10.849 0.112 0.215 1.00 . A A . 7 GLU CA 1 1 6 4299 1 1 7 GLU CB C -10.884 0.505 1.694 1.00 . A A . 7 GLU CB 1 1 6 4300 1 1 7 GLU CD C -13.287 0.076 2.350 1.00 . A A . 7 GLU CD 1 1 6 4301 1 1 7 GLU CG C -11.838 -0.337 2.526 1.00 . A A . 7 GLU CG 1 1 6 4302 1 1 7 GLU H H -10.161 -1.789 0.841 1.00 . A A . 7 GLU H 1 1 6 4303 1 1 7 GLU HA H -11.822 0.271 -0.215 1.00 . A A . 7 GLU HA 1 1 6 4304 1 1 7 GLU HB2 H -9.890 0.400 2.108 1.00 . A A . 7 GLU HB2 1 1 6 4305 1 1 7 GLU HB3 H -11.189 1.537 1.772 1.00 . A A . 7 GLU HB3 1 1 6 4306 1 1 7 GLU HG2 H -11.737 -1.371 2.231 1.00 . A A . 7 GLU HG2 1 1 6 4307 1 1 7 GLU HG3 H -11.574 -0.233 3.568 1.00 . A A . 7 GLU HG3 1 1 6 4308 1 1 7 GLU N N -10.524 -1.303 0.072 1.00 . A A . 7 GLU N 1 1 6 4309 1 1 7 GLU O O -8.663 1.025 -0.152 1.00 . A A . 7 GLU O 1 1 6 4310 1 1 7 GLU OE1 O -13.595 1.267 2.568 1.00 . A A . 7 GLU OE1 1 1 6 4311 1 1 7 GLU OE2 O -14.113 -0.790 1.994 1.00 . A A . 7 GLU OE2 1 1 6 4312 1 1 8 PRO C C -9.205 3.932 -1.707 1.00 . A A . 8 PRO C 1 1 6 4313 1 1 8 PRO CA C -9.389 2.563 -2.359 1.00 . A A . 8 PRO CA 1 1 6 4314 1 1 8 PRO CB C -10.130 2.694 -3.683 1.00 . A A . 8 PRO CB 1 1 6 4315 1 1 8 PRO CD C -11.653 1.716 -2.106 1.00 . A A . 8 PRO CD 1 1 6 4316 1 1 8 PRO CG C -11.568 2.635 -3.301 1.00 . A A . 8 PRO CG 1 1 6 4317 1 1 8 PRO HA H -8.425 2.106 -2.521 1.00 . A A . 8 PRO HA 1 1 6 4318 1 1 8 PRO HB2 H -9.879 3.636 -4.149 1.00 . A A . 8 PRO HB2 1 1 6 4319 1 1 8 PRO HB3 H -9.861 1.877 -4.335 1.00 . A A . 8 PRO HB3 1 1 6 4320 1 1 8 PRO HD2 H -12.337 2.117 -1.371 1.00 . A A . 8 PRO HD2 1 1 6 4321 1 1 8 PRO HD3 H -11.964 0.728 -2.412 1.00 . A A . 8 PRO HD3 1 1 6 4322 1 1 8 PRO HG2 H -11.914 3.624 -3.039 1.00 . A A . 8 PRO HG2 1 1 6 4323 1 1 8 PRO HG3 H -12.148 2.239 -4.121 1.00 . A A . 8 PRO HG3 1 1 6 4324 1 1 8 PRO N N -10.271 1.695 -1.581 1.00 . A A . 8 PRO N 1 1 6 4325 1 1 8 PRO O O -10.099 4.424 -1.018 1.00 . A A . 8 PRO O 1 1 6 4326 1 1 9 PRO C C -8.045 7.008 -2.292 1.00 . A A . 9 PRO C 1 1 6 4327 1 1 9 PRO CA C -7.731 5.865 -1.336 1.00 . A A . 9 PRO CA 1 1 6 4328 1 1 9 PRO CB C -6.228 5.772 -1.095 1.00 . A A . 9 PRO CB 1 1 6 4329 1 1 9 PRO CD C -6.899 4.060 -2.691 1.00 . A A . 9 PRO CD 1 1 6 4330 1 1 9 PRO CG C -5.715 4.825 -2.139 1.00 . A A . 9 PRO CG 1 1 6 4331 1 1 9 PRO HA H -8.243 6.022 -0.399 1.00 . A A . 9 PRO HA 1 1 6 4332 1 1 9 PRO HB2 H -5.785 6.752 -1.202 1.00 . A A . 9 PRO HB2 1 1 6 4333 1 1 9 PRO HB3 H -6.044 5.396 -0.101 1.00 . A A . 9 PRO HB3 1 1 6 4334 1 1 9 PRO HD2 H -7.032 4.279 -3.743 1.00 . A A . 9 PRO HD2 1 1 6 4335 1 1 9 PRO HD3 H -6.757 3.000 -2.538 1.00 . A A . 9 PRO HD3 1 1 6 4336 1 1 9 PRO HG2 H -5.231 5.380 -2.929 1.00 . A A . 9 PRO HG2 1 1 6 4337 1 1 9 PRO HG3 H -5.015 4.142 -1.686 1.00 . A A . 9 PRO HG3 1 1 6 4338 1 1 9 PRO N N -8.035 4.563 -1.905 1.00 . A A . 9 PRO N 1 1 6 4339 1 1 9 PRO O O -7.865 6.887 -3.503 1.00 . A A . 9 PRO O 1 1 6 4340 1 1 10 TYR C C -7.596 10.180 -2.733 1.00 . A A . 10 TYR C 1 1 6 4341 1 1 10 TYR CA C -8.828 9.300 -2.536 1.00 . A A . 10 TYR CA 1 1 6 4342 1 1 10 TYR CB C -9.958 10.103 -1.882 1.00 . A A . 10 TYR CB 1 1 6 4343 1 1 10 TYR CD1 C -9.979 9.502 0.575 1.00 . A A . 10 TYR CD1 1 1 6 4344 1 1 10 TYR CD2 C -9.277 11.693 -0.043 1.00 . A A . 10 TYR CD2 1 1 6 4345 1 1 10 TYR CE1 C -9.780 9.808 1.908 1.00 . A A . 10 TYR CE1 1 1 6 4346 1 1 10 TYR CE2 C -9.076 12.008 1.289 1.00 . A A . 10 TYR CE2 1 1 6 4347 1 1 10 TYR CG C -9.730 10.437 -0.423 1.00 . A A . 10 TYR CG 1 1 6 4348 1 1 10 TYR CZ C -9.329 11.063 2.260 1.00 . A A . 10 TYR CZ 1 1 6 4349 1 1 10 TYR H H -8.606 8.161 -0.764 1.00 . A A . 10 TYR H 1 1 6 4350 1 1 10 TYR HA H -9.164 8.953 -3.505 1.00 . A A . 10 TYR HA 1 1 6 4351 1 1 10 TYR HB2 H -10.079 11.035 -2.416 1.00 . A A . 10 TYR HB2 1 1 6 4352 1 1 10 TYR HB3 H -10.876 9.536 -1.953 1.00 . A A . 10 TYR HB3 1 1 6 4353 1 1 10 TYR HD1 H -10.332 8.519 0.297 1.00 . A A . 10 TYR HD1 1 1 6 4354 1 1 10 TYR HD2 H -9.078 12.432 -0.805 1.00 . A A . 10 TYR HD2 1 1 6 4355 1 1 10 TYR HE1 H -9.977 9.066 2.667 1.00 . A A . 10 TYR HE1 1 1 6 4356 1 1 10 TYR HE2 H -8.726 12.990 1.561 1.00 . A A . 10 TYR HE2 1 1 6 4357 1 1 10 TYR HH H -8.235 11.694 3.709 1.00 . A A . 10 TYR HH 1 1 6 4358 1 1 10 TYR N N -8.499 8.125 -1.735 1.00 . A A . 10 TYR N 1 1 6 4359 1 1 10 TYR O O -6.775 10.326 -1.827 1.00 . A A . 10 TYR O 1 1 6 4360 1 1 10 TYR OH O -9.131 11.372 3.585 1.00 . A A . 10 TYR OH 1 1 6 4361 1 1 11 ALA C C -6.792 13.039 -4.561 1.00 . A A . 11 ALA C 1 1 6 4362 1 1 11 ALA CA C -6.334 11.620 -4.238 1.00 . A A . 11 ALA CA 1 1 6 4363 1 1 11 ALA CB C -5.544 11.041 -5.401 1.00 . A A . 11 ALA CB 1 1 6 4364 1 1 11 ALA H H -8.153 10.601 -4.607 1.00 . A A . 11 ALA H 1 1 6 4365 1 1 11 ALA HA H -5.686 11.649 -3.373 1.00 . A A . 11 ALA HA 1 1 6 4366 1 1 11 ALA HB1 H -6.200 10.456 -6.027 1.00 . A A . 11 ALA HB1 1 1 6 4367 1 1 11 ALA HB2 H -4.753 10.411 -5.021 1.00 . A A . 11 ALA HB2 1 1 6 4368 1 1 11 ALA HB3 H -5.114 11.845 -5.980 1.00 . A A . 11 ALA HB3 1 1 6 4369 1 1 11 ALA N N -7.470 10.759 -3.922 1.00 . A A . 11 ALA N 1 1 6 4370 1 1 11 ALA O O -7.376 13.287 -5.615 1.00 . A A . 11 ALA O 1 1 6 4371 1 1 12 GLY C C -7.755 15.892 -2.718 1.00 . A A . 12 GLY C 1 1 6 4372 1 1 12 GLY CA C -6.907 15.352 -3.853 1.00 . A A . 12 GLY CA 1 1 6 4373 1 1 12 GLY H H -6.048 13.709 -2.828 1.00 . A A . 12 GLY H 1 1 6 4374 1 1 12 GLY HA2 H -6.016 15.955 -3.936 1.00 . A A . 12 GLY HA2 1 1 6 4375 1 1 12 GLY HA3 H -7.469 15.429 -4.773 1.00 . A A . 12 GLY HA3 1 1 6 4376 1 1 12 GLY N N -6.518 13.966 -3.648 1.00 . A A . 12 GLY N 1 1 6 4377 1 1 12 GLY O O -8.584 15.175 -2.156 1.00 . A A . 12 GLY O 1 1 6 4378 1 1 13 ALA C C -8.051 17.113 0.027 1.00 . A A . 13 ALA C 1 1 6 4379 1 1 13 ALA CA C -8.304 17.802 -1.311 1.00 . A A . 13 ALA CA 1 1 6 4380 1 1 13 ALA CB C -9.790 17.799 -1.640 1.00 . A A . 13 ALA CB 1 1 6 4381 1 1 13 ALA H H -6.879 17.682 -2.870 1.00 . A A . 13 ALA H 1 1 6 4382 1 1 13 ALA HA H -7.976 18.828 -1.242 1.00 . A A . 13 ALA HA 1 1 6 4383 1 1 13 ALA HB1 H -10.348 18.165 -0.792 1.00 . A A . 13 ALA HB1 1 1 6 4384 1 1 13 ALA HB2 H -10.106 16.793 -1.874 1.00 . A A . 13 ALA HB2 1 1 6 4385 1 1 13 ALA HB3 H -9.969 18.438 -2.493 1.00 . A A . 13 ALA HB3 1 1 6 4386 1 1 13 ALA N N -7.550 17.161 -2.383 1.00 . A A . 13 ALA N 1 1 6 4387 1 1 13 ALA O O -8.988 16.774 0.750 1.00 . A A . 13 ALA O 1 1 6 4388 1 1 14 CYS C C -4.928 16.447 1.904 1.00 . A A . 14 CYS C 1 1 6 4389 1 1 14 CYS CA C -6.409 16.248 1.597 1.00 . A A . 14 CYS CA 1 1 6 4390 1 1 14 CYS CB C -6.728 14.755 1.516 1.00 . A A . 14 CYS CB 1 1 6 4391 1 1 14 CYS H H -6.075 17.190 -0.269 1.00 . A A . 14 CYS H 1 1 6 4392 1 1 14 CYS HA H -6.994 16.690 2.390 1.00 . A A . 14 CYS HA 1 1 6 4393 1 1 14 CYS HB2 H -7.661 14.621 0.985 1.00 . A A . 14 CYS HB2 1 1 6 4394 1 1 14 CYS HB3 H -5.939 14.256 0.975 1.00 . A A . 14 CYS HB3 1 1 6 4395 1 1 14 CYS N N -6.779 16.902 0.349 1.00 . A A . 14 CYS N 1 1 6 4396 1 1 14 CYS O O -4.154 16.860 1.041 1.00 . A A . 14 CYS O 1 1 6 4397 1 1 14 CYS SG S -6.890 13.940 3.138 1.00 . A A . 14 CYS SG 1 1 6 4398 1 1 15 ARG C C -2.886 15.482 4.829 1.00 . A A . 15 ARG C 1 1 6 4399 1 1 15 ARG CA C -3.157 16.305 3.572 1.00 . A A . 15 ARG CA 1 1 6 4400 1 1 15 ARG CB C -2.837 17.777 3.836 1.00 . A A . 15 ARG CB 1 1 6 4401 1 1 15 ARG CD C -1.231 19.297 5.030 1.00 . A A . 15 ARG CD 1 1 6 4402 1 1 15 ARG CG C -1.385 18.025 4.212 1.00 . A A . 15 ARG CG 1 1 6 4403 1 1 15 ARG CZ C 0.079 21.381 4.957 1.00 . A A . 15 ARG CZ 1 1 6 4404 1 1 15 ARG H H -5.208 15.840 3.789 1.00 . A A . 15 ARG H 1 1 6 4405 1 1 15 ARG HA H -2.521 15.944 2.776 1.00 . A A . 15 ARG HA 1 1 6 4406 1 1 15 ARG HB2 H -3.059 18.347 2.946 1.00 . A A . 15 ARG HB2 1 1 6 4407 1 1 15 ARG HB3 H -3.460 18.129 4.644 1.00 . A A . 15 ARG HB3 1 1 6 4408 1 1 15 ARG HD2 H -2.159 19.848 4.995 1.00 . A A . 15 ARG HD2 1 1 6 4409 1 1 15 ARG HD3 H -1.012 19.026 6.053 1.00 . A A . 15 ARG HD3 1 1 6 4410 1 1 15 ARG HE H 0.419 19.776 3.820 1.00 . A A . 15 ARG HE 1 1 6 4411 1 1 15 ARG HG2 H -1.027 17.189 4.793 1.00 . A A . 15 ARG HG2 1 1 6 4412 1 1 15 ARG HG3 H -0.800 18.115 3.308 1.00 . A A . 15 ARG HG3 1 1 6 4413 1 1 15 ARG HH11 H -1.432 21.389 6.301 1.00 . A A . 15 ARG HH11 1 1 6 4414 1 1 15 ARG HH12 H -0.495 22.843 6.229 1.00 . A A . 15 ARG HH12 1 1 6 4415 1 1 15 ARG HH21 H 1.651 21.687 3.724 1.00 . A A . 15 ARG HH21 1 1 6 4416 1 1 15 ARG HH22 H 1.255 23.013 4.765 1.00 . A A . 15 ARG HH22 1 1 6 4417 1 1 15 ARG N N -4.543 16.158 3.144 1.00 . A A . 15 ARG N 1 1 6 4418 1 1 15 ARG NE N -0.157 20.145 4.523 1.00 . A A . 15 ARG NE 1 1 6 4419 1 1 15 ARG NH1 N -0.678 21.914 5.907 1.00 . A A . 15 ARG NH1 1 1 6 4420 1 1 15 ARG NH2 N 1.077 22.084 4.440 1.00 . A A . 15 ARG NH2 1 1 6 4421 1 1 15 ARG O O -2.901 16.011 5.940 1.00 . A A . 15 ARG O 1 1 6 4422 1 1 16 ALA C C -1.805 11.966 5.329 1.00 . A A . 16 ALA C 1 1 6 4423 1 1 16 ALA CA C -2.373 13.307 5.784 1.00 . A A . 16 ALA CA 1 1 6 4424 1 1 16 ALA CB C -3.641 13.096 6.600 1.00 . A A . 16 ALA CB 1 1 6 4425 1 1 16 ALA H H -2.646 13.816 3.745 1.00 . A A . 16 ALA H 1 1 6 4426 1 1 16 ALA HA H -1.647 13.796 6.416 1.00 . A A . 16 ALA HA 1 1 6 4427 1 1 16 ALA HB1 H -3.932 12.057 6.555 1.00 . A A . 16 ALA HB1 1 1 6 4428 1 1 16 ALA HB2 H -4.434 13.710 6.198 1.00 . A A . 16 ALA HB2 1 1 6 4429 1 1 16 ALA HB3 H -3.457 13.374 7.628 1.00 . A A . 16 ALA HB3 1 1 6 4430 1 1 16 ALA N N -2.643 14.187 4.652 1.00 . A A . 16 ALA N 1 1 6 4431 1 1 16 ALA O O -2.111 11.488 4.237 1.00 . A A . 16 ALA O 1 1 6 4432 1 1 17 ALA C C 0.707 10.215 4.804 1.00 . A A . 17 ALA C 1 1 6 4433 1 1 17 ALA CA C -0.356 10.078 5.889 1.00 . A A . 17 ALA CA 1 1 6 4434 1 1 17 ALA CB C -1.406 9.056 5.479 1.00 . A A . 17 ALA CB 1 1 6 4435 1 1 17 ALA H H -0.780 11.802 7.039 1.00 . A A . 17 ALA H 1 1 6 4436 1 1 17 ALA HA H 0.116 9.727 6.793 1.00 . A A . 17 ALA HA 1 1 6 4437 1 1 17 ALA HB1 H -0.942 8.087 5.374 1.00 . A A . 17 ALA HB1 1 1 6 4438 1 1 17 ALA HB2 H -1.843 9.350 4.536 1.00 . A A . 17 ALA HB2 1 1 6 4439 1 1 17 ALA HB3 H -2.176 9.007 6.234 1.00 . A A . 17 ALA HB3 1 1 6 4440 1 1 17 ALA N N -0.978 11.366 6.184 1.00 . A A . 17 ALA N 1 1 6 4441 1 1 17 ALA O O 0.587 9.637 3.723 1.00 . A A . 17 ALA O 1 1 6 4442 1 1 18 ALA C C 3.695 9.950 4.008 1.00 . A A . 18 ALA C 1 1 6 4443 1 1 18 ALA CA C 2.836 11.201 4.156 1.00 . A A . 18 ALA CA 1 1 6 4444 1 1 18 ALA CB C 3.691 12.380 4.596 1.00 . A A . 18 ALA CB 1 1 6 4445 1 1 18 ALA H H 1.784 11.422 5.978 1.00 . A A . 18 ALA H 1 1 6 4446 1 1 18 ALA HA H 2.402 11.440 3.196 1.00 . A A . 18 ALA HA 1 1 6 4447 1 1 18 ALA HB1 H 3.992 12.951 3.730 1.00 . A A . 18 ALA HB1 1 1 6 4448 1 1 18 ALA HB2 H 4.568 12.017 5.110 1.00 . A A . 18 ALA HB2 1 1 6 4449 1 1 18 ALA HB3 H 3.120 13.010 5.261 1.00 . A A . 18 ALA HB3 1 1 6 4450 1 1 18 ALA N N 1.748 10.987 5.100 1.00 . A A . 18 ALA N 1 1 6 4451 1 1 18 ALA O O 3.691 9.080 4.880 1.00 . A A . 18 ALA O 1 1 6 4452 1 1 19 ALA C C 4.773 7.424 3.178 1.00 . A A . 19 ALA C 1 1 6 4453 1 1 19 ALA CA C 5.313 8.737 2.612 1.00 . A A . 19 ALA CA 1 1 6 4454 1 1 19 ALA CB C 6.707 9.010 3.156 1.00 . A A . 19 ALA CB 1 1 6 4455 1 1 19 ALA H H 4.380 10.605 2.249 1.00 . A A . 19 ALA H 1 1 6 4456 1 1 19 ALA HA H 5.390 8.643 1.538 1.00 . A A . 19 ALA HA 1 1 6 4457 1 1 19 ALA HB1 H 7.197 9.747 2.536 1.00 . A A . 19 ALA HB1 1 1 6 4458 1 1 19 ALA HB2 H 7.282 8.096 3.151 1.00 . A A . 19 ALA HB2 1 1 6 4459 1 1 19 ALA HB3 H 6.632 9.384 4.167 1.00 . A A . 19 ALA HB3 1 1 6 4460 1 1 19 ALA N N 4.430 9.872 2.897 1.00 . A A . 19 ALA N 1 1 6 4461 1 1 19 ALA O O 5.291 6.908 4.169 1.00 . A A . 19 ALA O 1 1 6 4462 1 1 20 ARG C C 2.689 4.791 1.802 1.00 . A A . 20 ARG C 1 1 6 4463 1 1 20 ARG CA C 3.135 5.637 2.992 1.00 . A A . 20 ARG CA 1 1 6 4464 1 1 20 ARG CB C 1.958 5.914 3.932 1.00 . A A . 20 ARG CB 1 1 6 4465 1 1 20 ARG CD C 2.528 5.225 6.280 1.00 . A A . 20 ARG CD 1 1 6 4466 1 1 20 ARG CG C 2.388 6.385 5.311 1.00 . A A . 20 ARG CG 1 1 6 4467 1 1 20 ARG CZ C 2.208 5.653 8.692 1.00 . A A . 20 ARG CZ 1 1 6 4468 1 1 20 ARG H H 3.364 7.344 1.760 1.00 . A A . 20 ARG H 1 1 6 4469 1 1 20 ARG HA H 3.889 5.089 3.535 1.00 . A A . 20 ARG HA 1 1 6 4470 1 1 20 ARG HB2 H 1.332 6.679 3.497 1.00 . A A . 20 ARG HB2 1 1 6 4471 1 1 20 ARG HB3 H 1.382 5.005 4.051 1.00 . A A . 20 ARG HB3 1 1 6 4472 1 1 20 ARG HD2 H 2.214 4.318 5.786 1.00 . A A . 20 ARG HD2 1 1 6 4473 1 1 20 ARG HD3 H 3.563 5.136 6.569 1.00 . A A . 20 ARG HD3 1 1 6 4474 1 1 20 ARG HE H 0.741 5.383 7.362 1.00 . A A . 20 ARG HE 1 1 6 4475 1 1 20 ARG HG2 H 3.338 6.888 5.230 1.00 . A A . 20 ARG HG2 1 1 6 4476 1 1 20 ARG HG3 H 1.646 7.072 5.692 1.00 . A A . 20 ARG HG3 1 1 6 4477 1 1 20 ARG HH11 H 4.151 5.582 8.126 1.00 . A A . 20 ARG HH11 1 1 6 4478 1 1 20 ARG HH12 H 3.879 5.886 9.807 1.00 . A A . 20 ARG HH12 1 1 6 4479 1 1 20 ARG HH21 H 0.398 5.795 9.578 1.00 . A A . 20 ARG HH21 1 1 6 4480 1 1 20 ARG HH22 H 1.757 6.006 10.630 1.00 . A A . 20 ARG HH22 1 1 6 4481 1 1 20 ARG N N 3.734 6.890 2.545 1.00 . A A . 20 ARG N 1 1 6 4482 1 1 20 ARG NE N 1.713 5.420 7.475 1.00 . A A . 20 ARG NE 1 1 6 4483 1 1 20 ARG NH1 N 3.521 5.712 8.890 1.00 . A A . 20 ARG NH1 1 1 6 4484 1 1 20 ARG NH2 N 1.387 5.832 9.717 1.00 . A A . 20 ARG NH2 1 1 6 4485 1 1 20 ARG O O 2.856 5.185 0.646 1.00 . A A . 20 ARG O 1 1 6 4486 1 1 21 TYR C C 0.272 2.234 1.251 1.00 . A A . 21 TYR C 1 1 6 4487 1 1 21 TYR CA C 1.704 2.710 1.033 1.00 . A A . 21 TYR CA 1 1 6 4488 1 1 21 TYR CB C 2.635 1.500 0.959 1.00 . A A . 21 TYR CB 1 1 6 4489 1 1 21 TYR CD1 C 4.980 2.440 0.962 1.00 . A A . 21 TYR CD1 1 1 6 4490 1 1 21 TYR CD2 C 4.194 1.377 -1.019 1.00 . A A . 21 TYR CD2 1 1 6 4491 1 1 21 TYR CE1 C 6.196 2.686 0.352 1.00 . A A . 21 TYR CE1 1 1 6 4492 1 1 21 TYR CE2 C 5.405 1.620 -1.635 1.00 . A A . 21 TYR CE2 1 1 6 4493 1 1 21 TYR CG C 3.961 1.782 0.287 1.00 . A A . 21 TYR CG 1 1 6 4494 1 1 21 TYR CZ C 6.402 2.274 -0.946 1.00 . A A . 21 TYR CZ 1 1 6 4495 1 1 21 TYR H H 2.056 3.343 3.025 1.00 . A A . 21 TYR H 1 1 6 4496 1 1 21 TYR HA H 1.753 3.245 0.099 1.00 . A A . 21 TYR HA 1 1 6 4497 1 1 21 TYR HB2 H 2.843 1.153 1.961 1.00 . A A . 21 TYR HB2 1 1 6 4498 1 1 21 TYR HB3 H 2.145 0.710 0.408 1.00 . A A . 21 TYR HB3 1 1 6 4499 1 1 21 TYR HD1 H 4.815 2.762 1.980 1.00 . A A . 21 TYR HD1 1 1 6 4500 1 1 21 TYR HD2 H 3.410 0.866 -1.558 1.00 . A A . 21 TYR HD2 1 1 6 4501 1 1 21 TYR HE1 H 6.976 3.199 0.894 1.00 . A A . 21 TYR HE1 1 1 6 4502 1 1 21 TYR HE2 H 5.567 1.297 -2.652 1.00 . A A . 21 TYR HE2 1 1 6 4503 1 1 21 TYR HH H 7.819 1.797 -2.156 1.00 . A A . 21 TYR HH 1 1 6 4504 1 1 21 TYR N N 2.145 3.616 2.088 1.00 . A A . 21 TYR N 1 1 6 4505 1 1 21 TYR O O -0.221 2.194 2.379 1.00 . A A . 21 TYR O 1 1 6 4506 1 1 21 TYR OH O 7.612 2.517 -1.556 1.00 . A A . 21 TYR OH 1 1 6 4507 1 1 22 PHE C C -1.961 0.281 -0.859 1.00 . A A . 22 PHE C 1 1 6 4508 1 1 22 PHE CA C -1.757 1.350 0.200 1.00 . A A . 22 PHE CA 1 1 6 4509 1 1 22 PHE CB C -2.755 2.472 -0.030 1.00 . A A . 22 PHE CB 1 1 6 4510 1 1 22 PHE CD1 C -1.498 4.311 -1.169 1.00 . A A . 22 PHE CD1 1 1 6 4511 1 1 22 PHE CD2 C -3.060 3.049 -2.447 1.00 . A A . 22 PHE CD2 1 1 6 4512 1 1 22 PHE CE1 C -1.190 5.062 -2.284 1.00 . A A . 22 PHE CE1 1 1 6 4513 1 1 22 PHE CE2 C -2.758 3.798 -3.566 1.00 . A A . 22 PHE CE2 1 1 6 4514 1 1 22 PHE CG C -2.435 3.299 -1.237 1.00 . A A . 22 PHE CG 1 1 6 4515 1 1 22 PHE CZ C -1.820 4.806 -3.484 1.00 . A A . 22 PHE CZ 1 1 6 4516 1 1 22 PHE H H 0.079 1.906 -0.714 1.00 . A A . 22 PHE H 1 1 6 4517 1 1 22 PHE HA H -1.930 0.917 1.174 1.00 . A A . 22 PHE HA 1 1 6 4518 1 1 22 PHE HB2 H -3.734 2.044 -0.167 1.00 . A A . 22 PHE HB2 1 1 6 4519 1 1 22 PHE HB3 H -2.766 3.112 0.832 1.00 . A A . 22 PHE HB3 1 1 6 4520 1 1 22 PHE HD1 H -1.004 4.514 -0.230 1.00 . A A . 22 PHE HD1 1 1 6 4521 1 1 22 PHE HD2 H -3.795 2.260 -2.510 1.00 . A A . 22 PHE HD2 1 1 6 4522 1 1 22 PHE HE1 H -0.459 5.849 -2.217 1.00 . A A . 22 PHE HE1 1 1 6 4523 1 1 22 PHE HE2 H -3.254 3.595 -4.503 1.00 . A A . 22 PHE HE2 1 1 6 4524 1 1 22 PHE HZ H -1.578 5.394 -4.358 1.00 . A A . 22 PHE HZ 1 1 6 4525 1 1 22 PHE N N -0.382 1.855 0.155 1.00 . A A . 22 PHE N 1 1 6 4526 1 1 22 PHE O O -1.294 0.282 -1.888 1.00 . A A . 22 PHE O 1 1 6 4527 1 1 23 TYR C C -4.141 -1.263 -2.642 1.00 . A A . 23 TYR C 1 1 6 4528 1 1 23 TYR CA C -3.162 -1.707 -1.560 1.00 . A A . 23 TYR CA 1 1 6 4529 1 1 23 TYR CB C -3.709 -2.946 -0.850 1.00 . A A . 23 TYR CB 1 1 6 4530 1 1 23 TYR CD1 C -2.848 -4.762 -2.375 1.00 . A A . 23 TYR CD1 1 1 6 4531 1 1 23 TYR CD2 C -5.203 -4.561 -2.089 1.00 . A A . 23 TYR CD2 1 1 6 4532 1 1 23 TYR CE1 C -3.039 -5.822 -3.241 1.00 . A A . 23 TYR CE1 1 1 6 4533 1 1 23 TYR CE2 C -5.403 -5.621 -2.951 1.00 . A A . 23 TYR CE2 1 1 6 4534 1 1 23 TYR CG C -3.925 -4.114 -1.785 1.00 . A A . 23 TYR CG 1 1 6 4535 1 1 23 TYR CZ C -4.319 -6.248 -3.524 1.00 . A A . 23 TYR CZ 1 1 6 4536 1 1 23 TYR H H -3.398 -0.572 0.228 1.00 . A A . 23 TYR H 1 1 6 4537 1 1 23 TYR HA H -2.221 -1.975 -2.033 1.00 . A A . 23 TYR HA 1 1 6 4538 1 1 23 TYR HB2 H -3.003 -3.256 -0.092 1.00 . A A . 23 TYR HB2 1 1 6 4539 1 1 23 TYR HB3 H -4.656 -2.704 -0.387 1.00 . A A . 23 TYR HB3 1 1 6 4540 1 1 23 TYR HD1 H -1.845 -4.427 -2.150 1.00 . A A . 23 TYR HD1 1 1 6 4541 1 1 23 TYR HD2 H -6.050 -4.070 -1.640 1.00 . A A . 23 TYR HD2 1 1 6 4542 1 1 23 TYR HE1 H -2.189 -6.312 -3.689 1.00 . A A . 23 TYR HE1 1 1 6 4543 1 1 23 TYR HE2 H -6.406 -5.955 -3.173 1.00 . A A . 23 TYR HE2 1 1 6 4544 1 1 23 TYR HH H -3.860 -7.983 -4.212 1.00 . A A . 23 TYR HH 1 1 6 4545 1 1 23 TYR N N -2.888 -0.628 -0.608 1.00 . A A . 23 TYR N 1 1 6 4546 1 1 23 TYR O O -5.126 -0.580 -2.364 1.00 . A A . 23 TYR O 1 1 6 4547 1 1 23 TYR OH O -4.515 -7.303 -4.385 1.00 . A A . 23 TYR OH 1 1 6 4548 1 1 24 ASN C C -5.409 -2.601 -5.539 1.00 . A A . 24 ASN C 1 1 6 4549 1 1 24 ASN CA C -4.719 -1.348 -5.009 1.00 . A A . 24 ASN CA 1 1 6 4550 1 1 24 ASN CB C -3.881 -0.697 -6.117 1.00 . A A . 24 ASN CB 1 1 6 4551 1 1 24 ASN CG C -4.695 -0.351 -7.346 1.00 . A A . 24 ASN CG 1 1 6 4552 1 1 24 ASN H H -3.075 -2.237 -4.015 1.00 . A A . 24 ASN H 1 1 6 4553 1 1 24 ASN HA H -5.471 -0.647 -4.677 1.00 . A A . 24 ASN HA 1 1 6 4554 1 1 24 ASN HB2 H -3.439 0.215 -5.738 1.00 . A A . 24 ASN HB2 1 1 6 4555 1 1 24 ASN HB3 H -3.097 -1.377 -6.415 1.00 . A A . 24 ASN HB3 1 1 6 4556 1 1 24 ASN HD21 H -3.442 1.133 -7.771 1.00 . A A . 24 ASN HD21 1 1 6 4557 1 1 24 ASN HD22 H -4.760 0.912 -8.876 1.00 . A A . 24 ASN HD22 1 1 6 4558 1 1 24 ASN N N -3.869 -1.680 -3.871 1.00 . A A . 24 ASN N 1 1 6 4559 1 1 24 ASN ND2 N -4.256 0.668 -8.071 1.00 . A A . 24 ASN ND2 1 1 6 4560 1 1 24 ASN O O -4.899 -3.264 -6.439 1.00 . A A . 24 ASN O 1 1 6 4561 1 1 24 ASN OD1 O -5.700 -0.996 -7.647 1.00 . A A . 24 ASN OD1 1 1 6 4562 1 1 25 ALA C C -7.566 -4.093 -6.904 1.00 . A A . 25 ALA C 1 1 6 4563 1 1 25 ALA CA C -7.327 -4.096 -5.396 1.00 . A A . 25 ALA CA 1 1 6 4564 1 1 25 ALA CB C -8.652 -4.162 -4.652 1.00 . A A . 25 ALA CB 1 1 6 4565 1 1 25 ALA H H -6.930 -2.350 -4.265 1.00 . A A . 25 ALA H 1 1 6 4566 1 1 25 ALA HA H -6.750 -4.971 -5.135 1.00 . A A . 25 ALA HA 1 1 6 4567 1 1 25 ALA HB1 H -9.389 -3.571 -5.176 1.00 . A A . 25 ALA HB1 1 1 6 4568 1 1 25 ALA HB2 H -8.523 -3.774 -3.653 1.00 . A A . 25 ALA HB2 1 1 6 4569 1 1 25 ALA HB3 H -8.985 -5.188 -4.600 1.00 . A A . 25 ALA HB3 1 1 6 4570 1 1 25 ALA N N -6.572 -2.918 -4.978 1.00 . A A . 25 ALA N 1 1 6 4571 1 1 25 ALA O O -7.739 -5.147 -7.517 1.00 . A A . 25 ALA O 1 1 6 4572 1 1 26 LYS C C -6.505 -3.069 -9.726 1.00 . A A . 26 LYS C 1 1 6 4573 1 1 26 LYS CA C -7.779 -2.763 -8.933 1.00 . A A . 26 LYS CA 1 1 6 4574 1 1 26 LYS CB C -8.265 -1.347 -9.256 1.00 . A A . 26 LYS CB 1 1 6 4575 1 1 26 LYS CD C -10.141 0.087 -10.119 1.00 . A A . 26 LYS CD 1 1 6 4576 1 1 26 LYS CE C -10.249 0.044 -11.634 1.00 . A A . 26 LYS CE 1 1 6 4577 1 1 26 LYS CG C -9.755 -1.269 -9.549 1.00 . A A . 26 LYS CG 1 1 6 4578 1 1 26 LYS H H -7.417 -2.101 -6.956 1.00 . A A . 26 LYS H 1 1 6 4579 1 1 26 LYS HA H -8.545 -3.467 -9.224 1.00 . A A . 26 LYS HA 1 1 6 4580 1 1 26 LYS HB2 H -8.052 -0.705 -8.414 1.00 . A A . 26 LYS HB2 1 1 6 4581 1 1 26 LYS HB3 H -7.731 -0.981 -10.121 1.00 . A A . 26 LYS HB3 1 1 6 4582 1 1 26 LYS HD2 H -11.095 0.380 -9.708 1.00 . A A . 26 LYS HD2 1 1 6 4583 1 1 26 LYS HD3 H -9.389 0.811 -9.840 1.00 . A A . 26 LYS HD3 1 1 6 4584 1 1 26 LYS HE2 H -10.259 1.056 -12.010 1.00 . A A . 26 LYS HE2 1 1 6 4585 1 1 26 LYS HE3 H -9.389 -0.477 -12.029 1.00 . A A . 26 LYS HE3 1 1 6 4586 1 1 26 LYS HG2 H -10.012 -2.034 -10.266 1.00 . A A . 26 LYS HG2 1 1 6 4587 1 1 26 LYS HG3 H -10.302 -1.433 -8.632 1.00 . A A . 26 LYS HG3 1 1 6 4588 1 1 26 LYS HZ1 H -11.349 -1.681 -12.055 1.00 . A A . 26 LYS HZ1 1 1 6 4589 1 1 26 LYS HZ2 H -11.719 -0.371 -13.058 1.00 . A A . 26 LYS HZ2 1 1 6 4590 1 1 26 LYS HZ3 H -12.282 -0.401 -11.463 1.00 . A A . 26 LYS HZ3 1 1 6 4591 1 1 26 LYS N N -7.565 -2.904 -7.497 1.00 . A A . 26 LYS N 1 1 6 4592 1 1 26 LYS NZ N -11.487 -0.651 -12.084 1.00 . A A . 26 LYS NZ 1 1 6 4593 1 1 26 LYS O O -6.525 -3.078 -10.957 1.00 . A A . 26 LYS O 1 1 6 4594 1 1 27 ALA C C -3.335 -4.708 -8.982 1.00 . A A . 27 ALA C 1 1 6 4595 1 1 27 ALA CA C -4.130 -3.608 -9.695 1.00 . A A . 27 ALA CA 1 1 6 4596 1 1 27 ALA CB C -3.292 -2.342 -9.812 1.00 . A A . 27 ALA CB 1 1 6 4597 1 1 27 ALA H H -5.429 -3.281 -8.046 1.00 . A A . 27 ALA H 1 1 6 4598 1 1 27 ALA HA H -4.360 -3.944 -10.696 1.00 . A A . 27 ALA HA 1 1 6 4599 1 1 27 ALA HB1 H -3.038 -2.173 -10.849 1.00 . A A . 27 ALA HB1 1 1 6 4600 1 1 27 ALA HB2 H -2.386 -2.453 -9.234 1.00 . A A . 27 ALA HB2 1 1 6 4601 1 1 27 ALA HB3 H -3.856 -1.501 -9.438 1.00 . A A . 27 ALA HB3 1 1 6 4602 1 1 27 ALA N N -5.397 -3.312 -9.026 1.00 . A A . 27 ALA N 1 1 6 4603 1 1 27 ALA O O -2.244 -5.071 -9.421 1.00 . A A . 27 ALA O 1 1 6 4604 1 1 28 GLY C C -1.949 -5.900 -6.457 1.00 . A A . 28 GLY C 1 1 6 4605 1 1 28 GLY CA C -3.228 -6.313 -7.173 1.00 . A A . 28 GLY CA 1 1 6 4606 1 1 28 GLY H H -4.758 -4.946 -7.602 1.00 . A A . 28 GLY H 1 1 6 4607 1 1 28 GLY HA2 H -3.915 -6.711 -6.443 1.00 . A A . 28 GLY HA2 1 1 6 4608 1 1 28 GLY HA3 H -2.994 -7.083 -7.876 1.00 . A A . 28 GLY HA3 1 1 6 4609 1 1 28 GLY N N -3.888 -5.250 -7.899 1.00 . A A . 28 GLY N 1 1 6 4610 1 1 28 GLY O O -1.368 -6.697 -5.721 1.00 . A A . 28 GLY O 1 1 6 4611 1 1 29 LEU C C -0.540 -2.938 -5.197 1.00 . A A . 29 LEU C 1 1 6 4612 1 1 29 LEU CA C -0.277 -4.189 -6.031 1.00 . A A . 29 LEU CA 1 1 6 4613 1 1 29 LEU CB C 0.789 -3.895 -7.089 1.00 . A A . 29 LEU CB 1 1 6 4614 1 1 29 LEU CD1 C 1.445 -6.209 -7.793 1.00 . A A . 29 LEU CD1 1 1 6 4615 1 1 29 LEU CD2 C 3.102 -4.341 -7.944 1.00 . A A . 29 LEU CD2 1 1 6 4616 1 1 29 LEU CG C 1.929 -4.912 -7.162 1.00 . A A . 29 LEU CG 1 1 6 4617 1 1 29 LEU H H -1.994 -4.078 -7.266 1.00 . A A . 29 LEU H 1 1 6 4618 1 1 29 LEU HA H 0.083 -4.971 -5.379 1.00 . A A . 29 LEU HA 1 1 6 4619 1 1 29 LEU HB2 H 0.306 -3.856 -8.054 1.00 . A A . 29 LEU HB2 1 1 6 4620 1 1 29 LEU HB3 H 1.218 -2.925 -6.882 1.00 . A A . 29 LEU HB3 1 1 6 4621 1 1 29 LEU HD11 H 2.282 -6.878 -7.927 1.00 . A A . 29 LEU HD11 1 1 6 4622 1 1 29 LEU HD12 H 0.997 -5.996 -8.752 1.00 . A A . 29 LEU HD12 1 1 6 4623 1 1 29 LEU HD13 H 0.713 -6.672 -7.148 1.00 . A A . 29 LEU HD13 1 1 6 4624 1 1 29 LEU HD21 H 3.969 -4.969 -7.802 1.00 . A A . 29 LEU HD21 1 1 6 4625 1 1 29 LEU HD22 H 3.318 -3.344 -7.592 1.00 . A A . 29 LEU HD22 1 1 6 4626 1 1 29 LEU HD23 H 2.852 -4.306 -8.994 1.00 . A A . 29 LEU HD23 1 1 6 4627 1 1 29 LEU HG H 2.269 -5.135 -6.161 1.00 . A A . 29 LEU HG 1 1 6 4628 1 1 29 LEU N N -1.501 -4.670 -6.669 1.00 . A A . 29 LEU N 1 1 6 4629 1 1 29 LEU O O -1.641 -2.393 -5.209 1.00 . A A . 29 LEU O 1 1 6 4630 1 1 30 CYS C C 1.021 -0.098 -4.316 1.00 . A A . 30 CYS C 1 1 6 4631 1 1 30 CYS CA C 0.362 -1.294 -3.648 1.00 . A A . 30 CYS CA 1 1 6 4632 1 1 30 CYS CB C 0.984 -1.502 -2.268 1.00 . A A . 30 CYS CB 1 1 6 4633 1 1 30 CYS H H 1.341 -2.960 -4.511 1.00 . A A . 30 CYS H 1 1 6 4634 1 1 30 CYS HA H -0.689 -1.085 -3.529 1.00 . A A . 30 CYS HA 1 1 6 4635 1 1 30 CYS HB2 H 2.027 -1.226 -2.311 1.00 . A A . 30 CYS HB2 1 1 6 4636 1 1 30 CYS HB3 H 0.482 -0.859 -1.565 1.00 . A A . 30 CYS HB3 1 1 6 4637 1 1 30 CYS N N 0.484 -2.486 -4.477 1.00 . A A . 30 CYS N 1 1 6 4638 1 1 30 CYS O O 1.755 -0.241 -5.295 1.00 . A A . 30 CYS O 1 1 6 4639 1 1 30 CYS SG S 0.878 -3.208 -1.631 1.00 . A A . 30 CYS SG 1 1 6 4640 1 1 31 GLN C C 1.559 3.344 -3.208 1.00 . A A . 31 GLN C 1 1 6 4641 1 1 31 GLN CA C 1.323 2.309 -4.307 1.00 . A A . 31 GLN CA 1 1 6 4642 1 1 31 GLN CB C 0.404 2.897 -5.381 1.00 . A A . 31 GLN CB 1 1 6 4643 1 1 31 GLN CD C -0.404 2.806 -7.770 1.00 . A A . 31 GLN CD 1 1 6 4644 1 1 31 GLN CG C 0.561 2.244 -6.744 1.00 . A A . 31 GLN CG 1 1 6 4645 1 1 31 GLN H H 0.176 1.117 -2.987 1.00 . A A . 31 GLN H 1 1 6 4646 1 1 31 GLN HA H 2.268 2.062 -4.758 1.00 . A A . 31 GLN HA 1 1 6 4647 1 1 31 GLN HB2 H -0.621 2.780 -5.069 1.00 . A A . 31 GLN HB2 1 1 6 4648 1 1 31 GLN HB3 H 0.621 3.950 -5.484 1.00 . A A . 31 GLN HB3 1 1 6 4649 1 1 31 GLN HE21 H -1.952 2.289 -6.634 1.00 . A A . 31 GLN HE21 1 1 6 4650 1 1 31 GLN HE22 H -2.343 3.067 -8.126 1.00 . A A . 31 GLN HE22 1 1 6 4651 1 1 31 GLN HG2 H 1.569 2.406 -7.094 1.00 . A A . 31 GLN HG2 1 1 6 4652 1 1 31 GLN HG3 H 0.381 1.184 -6.644 1.00 . A A . 31 GLN HG3 1 1 6 4653 1 1 31 GLN N N 0.757 1.078 -3.772 1.00 . A A . 31 GLN N 1 1 6 4654 1 1 31 GLN NE2 N -1.697 2.711 -7.480 1.00 . A A . 31 GLN NE2 1 1 6 4655 1 1 31 GLN O O 0.913 3.311 -2.154 1.00 . A A . 31 GLN O 1 1 6 4656 1 1 31 GLN OE1 O 0.006 3.321 -8.810 1.00 . A A . 31 GLN OE1 1 1 6 4657 1 1 32 THR C C 1.737 6.447 -2.656 1.00 . A A . 32 THR C 1 1 6 4658 1 1 32 THR CA C 2.789 5.350 -2.548 1.00 . A A . 32 THR CA 1 1 6 4659 1 1 32 THR CB C 4.179 5.926 -2.833 1.00 . A A . 32 THR CB 1 1 6 4660 1 1 32 THR CG2 C 4.235 6.779 -4.084 1.00 . A A . 32 THR CG2 1 1 6 4661 1 1 32 THR H H 2.940 4.242 -4.342 1.00 . A A . 32 THR H 1 1 6 4662 1 1 32 THR HA H 2.764 4.951 -1.547 1.00 . A A . 32 THR HA 1 1 6 4663 1 1 32 THR HB H 4.876 5.111 -2.960 1.00 . A A . 32 THR HB 1 1 6 4664 1 1 32 THR HG1 H 4.086 7.521 -1.702 1.00 . A A . 32 THR HG1 1 1 6 4665 1 1 32 THR HG21 H 5.249 6.804 -4.458 1.00 . A A . 32 THR HG21 1 1 6 4666 1 1 32 THR HG22 H 3.913 7.783 -3.850 1.00 . A A . 32 THR HG22 1 1 6 4667 1 1 32 THR HG23 H 3.584 6.359 -4.837 1.00 . A A . 32 THR HG23 1 1 6 4668 1 1 32 THR N N 2.477 4.271 -3.478 1.00 . A A . 32 THR N 1 1 6 4669 1 1 32 THR O O 1.187 6.686 -3.730 1.00 . A A . 32 THR O 1 1 6 4670 1 1 32 THR OG1 O 4.621 6.725 -1.751 1.00 . A A . 32 THR OG1 1 1 6 4671 1 1 33 PHE C C 0.909 9.366 -2.394 1.00 . A A . 33 PHE C 1 1 6 4672 1 1 33 PHE CA C 0.468 8.185 -1.533 1.00 . A A . 33 PHE CA 1 1 6 4673 1 1 33 PHE CB C 0.202 8.636 -0.099 1.00 . A A . 33 PHE CB 1 1 6 4674 1 1 33 PHE CD1 C -2.077 7.709 0.382 1.00 . A A . 33 PHE CD1 1 1 6 4675 1 1 33 PHE CD2 C -0.212 6.802 1.551 1.00 . A A . 33 PHE CD2 1 1 6 4676 1 1 33 PHE CE1 C -2.920 6.835 1.040 1.00 . A A . 33 PHE CE1 1 1 6 4677 1 1 33 PHE CE2 C -1.048 5.924 2.211 1.00 . A A . 33 PHE CE2 1 1 6 4678 1 1 33 PHE CG C -0.716 7.702 0.632 1.00 . A A . 33 PHE CG 1 1 6 4679 1 1 33 PHE CZ C -2.404 5.941 1.956 1.00 . A A . 33 PHE CZ 1 1 6 4680 1 1 33 PHE H H 1.935 6.890 -0.718 1.00 . A A . 33 PHE H 1 1 6 4681 1 1 33 PHE HA H -0.452 7.779 -1.941 1.00 . A A . 33 PHE HA 1 1 6 4682 1 1 33 PHE HB2 H 1.137 8.680 0.441 1.00 . A A . 33 PHE HB2 1 1 6 4683 1 1 33 PHE HB3 H -0.252 9.615 -0.109 1.00 . A A . 33 PHE HB3 1 1 6 4684 1 1 33 PHE HD1 H -2.481 8.408 -0.335 1.00 . A A . 33 PHE HD1 1 1 6 4685 1 1 33 PHE HD2 H 0.848 6.789 1.749 1.00 . A A . 33 PHE HD2 1 1 6 4686 1 1 33 PHE HE1 H -3.980 6.851 0.838 1.00 . A A . 33 PHE HE1 1 1 6 4687 1 1 33 PHE HE2 H -0.642 5.226 2.927 1.00 . A A . 33 PHE HE2 1 1 6 4688 1 1 33 PHE HZ H -3.059 5.255 2.471 1.00 . A A . 33 PHE HZ 1 1 6 4689 1 1 33 PHE N N 1.462 7.117 -1.546 1.00 . A A . 33 PHE N 1 1 6 4690 1 1 33 PHE O O 1.922 10.009 -2.118 1.00 . A A . 33 PHE O 1 1 6 4691 1 1 34 ALA C C 0.118 12.085 -3.707 1.00 . A A . 34 ALA C 1 1 6 4692 1 1 34 ALA CA C 0.432 10.738 -4.352 1.00 . A A . 34 ALA CA 1 1 6 4693 1 1 34 ALA CB C -0.354 10.567 -5.644 1.00 . A A . 34 ALA CB 1 1 6 4694 1 1 34 ALA H H -0.656 9.087 -3.605 1.00 . A A . 34 ALA H 1 1 6 4695 1 1 34 ALA HA H 1.484 10.701 -4.588 1.00 . A A . 34 ALA HA 1 1 6 4696 1 1 34 ALA HB1 H 0.186 9.909 -6.310 1.00 . A A . 34 ALA HB1 1 1 6 4697 1 1 34 ALA HB2 H -0.487 11.527 -6.119 1.00 . A A . 34 ALA HB2 1 1 6 4698 1 1 34 ALA HB3 H -1.321 10.139 -5.424 1.00 . A A . 34 ALA HB3 1 1 6 4699 1 1 34 ALA N N 0.137 9.640 -3.441 1.00 . A A . 34 ALA N 1 1 6 4700 1 1 34 ALA O O -0.190 12.157 -2.518 1.00 . A A . 34 ALA O 1 1 6 4701 1 1 35 TYR C C -1.331 14.545 -3.136 1.00 . A A . 35 TYR C 1 1 6 4702 1 1 35 TYR CA C -0.081 14.500 -4.018 1.00 . A A . 35 TYR CA 1 1 6 4703 1 1 35 TYR CB C -0.242 15.466 -5.193 1.00 . A A . 35 TYR CB 1 1 6 4704 1 1 35 TYR CD1 C 0.078 17.633 -3.946 1.00 . A A . 35 TYR CD1 1 1 6 4705 1 1 35 TYR CD2 C 1.509 17.179 -5.798 1.00 . A A . 35 TYR CD2 1 1 6 4706 1 1 35 TYR CE1 C 0.726 18.835 -3.735 1.00 . A A . 35 TYR CE1 1 1 6 4707 1 1 35 TYR CE2 C 2.160 18.382 -5.595 1.00 . A A . 35 TYR CE2 1 1 6 4708 1 1 35 TYR CG C 0.459 16.786 -4.978 1.00 . A A . 35 TYR CG 1 1 6 4709 1 1 35 TYR CZ C 1.765 19.205 -4.562 1.00 . A A . 35 TYR CZ 1 1 6 4710 1 1 35 TYR H H 0.438 13.025 -5.443 1.00 . A A . 35 TYR H 1 1 6 4711 1 1 35 TYR HA H 0.774 14.815 -3.432 1.00 . A A . 35 TYR HA 1 1 6 4712 1 1 35 TYR HB2 H 0.170 15.011 -6.080 1.00 . A A . 35 TYR HB2 1 1 6 4713 1 1 35 TYR HB3 H -1.292 15.664 -5.348 1.00 . A A . 35 TYR HB3 1 1 6 4714 1 1 35 TYR HD1 H -0.737 17.342 -3.300 1.00 . A A . 35 TYR HD1 1 1 6 4715 1 1 35 TYR HD2 H 1.815 16.531 -6.606 1.00 . A A . 35 TYR HD2 1 1 6 4716 1 1 35 TYR HE1 H 0.417 19.481 -2.927 1.00 . A A . 35 TYR HE1 1 1 6 4717 1 1 35 TYR HE2 H 2.974 18.671 -6.243 1.00 . A A . 35 TYR HE2 1 1 6 4718 1 1 35 TYR HH H 2.426 20.905 -5.173 1.00 . A A . 35 TYR HH 1 1 6 4719 1 1 35 TYR N N 0.191 13.150 -4.504 1.00 . A A . 35 TYR N 1 1 6 4720 1 1 35 TYR O O -2.371 13.986 -3.485 1.00 . A A . 35 TYR O 1 1 6 4721 1 1 35 TYR OH O 2.413 20.402 -4.356 1.00 . A A . 35 TYR OH 1 1 6 4722 1 1 36 GLY C C -3.178 14.138 -0.899 1.00 . A A . 36 GLY C 1 1 6 4723 1 1 36 GLY CA C -2.315 15.379 -1.072 1.00 . A A . 36 GLY CA 1 1 6 4724 1 1 36 GLY H H -0.374 15.663 -1.794 1.00 . A A . 36 GLY H 1 1 6 4725 1 1 36 GLY HA2 H -1.912 15.650 -0.106 1.00 . A A . 36 GLY HA2 1 1 6 4726 1 1 36 GLY HA3 H -2.926 16.187 -1.425 1.00 . A A . 36 GLY HA3 1 1 6 4727 1 1 36 GLY N N -1.216 15.230 -1.999 1.00 . A A . 36 GLY N 1 1 6 4728 1 1 36 GLY O O -4.349 14.245 -0.540 1.00 . A A . 36 GLY O 1 1 6 4729 1 1 37 ALA C C -3.637 11.449 0.495 1.00 . A A . 37 ALA C 1 1 6 4730 1 1 37 ALA CA C -3.346 11.715 -0.980 1.00 . A A . 37 ALA CA 1 1 6 4731 1 1 37 ALA CB C -2.576 10.558 -1.593 1.00 . A A . 37 ALA CB 1 1 6 4732 1 1 37 ALA H H -1.666 12.929 -1.408 1.00 . A A . 37 ALA H 1 1 6 4733 1 1 37 ALA HA H -4.284 11.815 -1.508 1.00 . A A . 37 ALA HA 1 1 6 4734 1 1 37 ALA HB1 H -1.874 10.172 -0.870 1.00 . A A . 37 ALA HB1 1 1 6 4735 1 1 37 ALA HB2 H -2.041 10.904 -2.465 1.00 . A A . 37 ALA HB2 1 1 6 4736 1 1 37 ALA HB3 H -3.264 9.777 -1.880 1.00 . A A . 37 ALA HB3 1 1 6 4737 1 1 37 ALA N N -2.606 12.962 -1.137 1.00 . A A . 37 ALA N 1 1 6 4738 1 1 37 ALA O O -3.074 12.107 1.369 1.00 . A A . 37 ALA O 1 1 6 4739 1 1 38 CYS C C -5.336 8.717 2.294 1.00 . A A . 38 CYS C 1 1 6 4740 1 1 38 CYS CA C -4.842 10.151 2.155 1.00 . A A . 38 CYS CA 1 1 6 4741 1 1 38 CYS CB C -5.913 11.103 2.683 1.00 . A A . 38 CYS CB 1 1 6 4742 1 1 38 CYS H H -4.921 9.979 0.041 1.00 . A A . 38 CYS H 1 1 6 4743 1 1 38 CYS HA H -3.949 10.270 2.749 1.00 . A A . 38 CYS HA 1 1 6 4744 1 1 38 CYS HB2 H -6.646 11.279 1.907 1.00 . A A . 38 CYS HB2 1 1 6 4745 1 1 38 CYS HB3 H -6.397 10.642 3.532 1.00 . A A . 38 CYS HB3 1 1 6 4746 1 1 38 CYS N N -4.504 10.479 0.774 1.00 . A A . 38 CYS N 1 1 6 4747 1 1 38 CYS O O -6.021 8.191 1.417 1.00 . A A . 38 CYS O 1 1 6 4748 1 1 38 CYS SG S -5.270 12.720 3.222 1.00 . A A . 38 CYS SG 1 1 6 4749 1 1 39 ALA C C -6.921 6.668 3.967 1.00 . A A . 39 ALA C 1 1 6 4750 1 1 39 ALA CA C -5.419 6.735 3.712 1.00 . A A . 39 ALA CA 1 1 6 4751 1 1 39 ALA CB C -4.653 6.192 4.910 1.00 . A A . 39 ALA CB 1 1 6 4752 1 1 39 ALA H H -4.479 8.592 4.092 1.00 . A A . 39 ALA H 1 1 6 4753 1 1 39 ALA HA H -5.179 6.126 2.852 1.00 . A A . 39 ALA HA 1 1 6 4754 1 1 39 ALA HB1 H -5.042 5.221 5.177 1.00 . A A . 39 ALA HB1 1 1 6 4755 1 1 39 ALA HB2 H -4.765 6.867 5.746 1.00 . A A . 39 ALA HB2 1 1 6 4756 1 1 39 ALA HB3 H -3.606 6.104 4.658 1.00 . A A . 39 ALA HB3 1 1 6 4757 1 1 39 ALA N N -5.005 8.104 3.425 1.00 . A A . 39 ALA N 1 1 6 4758 1 1 39 ALA O O -7.597 7.694 4.013 1.00 . A A . 39 ALA O 1 1 6 4759 1 1 40 ALA C C -9.104 4.492 5.674 1.00 . A A . 40 ALA C 1 1 6 4760 1 1 40 ALA CA C -8.865 5.270 4.389 1.00 . A A . 40 ALA CA 1 1 6 4761 1 1 40 ALA CB C -9.527 4.576 3.209 1.00 . A A . 40 ALA CB 1 1 6 4762 1 1 40 ALA H H -6.854 4.671 4.091 1.00 . A A . 40 ALA H 1 1 6 4763 1 1 40 ALA HA H -9.307 6.247 4.497 1.00 . A A . 40 ALA HA 1 1 6 4764 1 1 40 ALA HB1 H -8.793 3.983 2.682 1.00 . A A . 40 ALA HB1 1 1 6 4765 1 1 40 ALA HB2 H -9.937 5.317 2.540 1.00 . A A . 40 ALA HB2 1 1 6 4766 1 1 40 ALA HB3 H -10.319 3.934 3.567 1.00 . A A . 40 ALA HB3 1 1 6 4767 1 1 40 ALA N N -7.439 5.455 4.136 1.00 . A A . 40 ALA N 1 1 6 4768 1 1 40 ALA O O -10.066 3.732 5.783 1.00 . A A . 40 ALA O 1 1 6 4769 1 1 41 LYS C C -7.507 2.766 7.991 1.00 . A A . 41 LYS C 1 1 6 4770 1 1 41 LYS CA C -8.299 4.070 7.960 1.00 . A A . 41 LYS CA 1 1 6 4771 1 1 41 LYS CB C -9.750 3.812 8.364 1.00 . A A . 41 LYS CB 1 1 6 4772 1 1 41 LYS CD C -9.895 5.096 10.524 1.00 . A A . 41 LYS CD 1 1 6 4773 1 1 41 LYS CE C -8.601 5.281 11.302 1.00 . A A . 41 LYS CE 1 1 6 4774 1 1 41 LYS CG C -9.959 3.726 9.867 1.00 . A A . 41 LYS CG 1 1 6 4775 1 1 41 LYS H H -7.504 5.349 6.479 1.00 . A A . 41 LYS H 1 1 6 4776 1 1 41 LYS HA H -7.859 4.749 8.675 1.00 . A A . 41 LYS HA 1 1 6 4777 1 1 41 LYS HB2 H -10.359 4.615 7.981 1.00 . A A . 41 LYS HB2 1 1 6 4778 1 1 41 LYS HB3 H -10.075 2.882 7.924 1.00 . A A . 41 LYS HB3 1 1 6 4779 1 1 41 LYS HD2 H -9.954 5.855 9.759 1.00 . A A . 41 LYS HD2 1 1 6 4780 1 1 41 LYS HD3 H -10.729 5.199 11.202 1.00 . A A . 41 LYS HD3 1 1 6 4781 1 1 41 LYS HE2 H -8.520 4.491 12.033 1.00 . A A . 41 LYS HE2 1 1 6 4782 1 1 41 LYS HE3 H -7.771 5.220 10.614 1.00 . A A . 41 LYS HE3 1 1 6 4783 1 1 41 LYS HG2 H -10.928 3.291 10.062 1.00 . A A . 41 LYS HG2 1 1 6 4784 1 1 41 LYS HG3 H -9.190 3.096 10.292 1.00 . A A . 41 LYS HG3 1 1 6 4785 1 1 41 LYS HZ1 H -9.504 6.843 12.356 1.00 . A A . 41 LYS HZ1 1 1 6 4786 1 1 41 LYS HZ2 H -8.239 7.338 11.348 1.00 . A A . 41 LYS HZ2 1 1 6 4787 1 1 41 LYS HZ3 H -7.899 6.549 12.805 1.00 . A A . 41 LYS HZ3 1 1 6 4788 1 1 41 LYS N N -8.222 4.714 6.645 1.00 . A A . 41 LYS N 1 1 6 4789 1 1 41 LYS NZ N -8.558 6.594 12.001 1.00 . A A . 41 LYS NZ 1 1 6 4790 1 1 41 LYS O O -6.495 2.659 8.683 1.00 . A A . 41 LYS O 1 1 6 4791 1 1 42 ARG C C -6.263 0.395 6.139 1.00 . A A . 42 ARG C 1 1 6 4792 1 1 42 ARG CA C -7.340 0.462 7.218 1.00 . A A . 42 ARG CA 1 1 6 4793 1 1 42 ARG CB C -8.374 -0.640 6.972 1.00 . A A . 42 ARG CB 1 1 6 4794 1 1 42 ARG CD C -10.490 0.002 8.170 1.00 . A A . 42 ARG CD 1 1 6 4795 1 1 42 ARG CG C -9.278 -0.916 8.163 1.00 . A A . 42 ARG CG 1 1 6 4796 1 1 42 ARG CZ C -12.759 -0.974 8.024 1.00 . A A . 42 ARG CZ 1 1 6 4797 1 1 42 ARG H H -8.807 1.905 6.743 1.00 . A A . 42 ARG H 1 1 6 4798 1 1 42 ARG HA H -6.883 0.297 8.179 1.00 . A A . 42 ARG HA 1 1 6 4799 1 1 42 ARG HB2 H -8.994 -0.356 6.135 1.00 . A A . 42 ARG HB2 1 1 6 4800 1 1 42 ARG HB3 H -7.853 -1.554 6.725 1.00 . A A . 42 ARG HB3 1 1 6 4801 1 1 42 ARG HD2 H -10.260 0.873 8.766 1.00 . A A . 42 ARG HD2 1 1 6 4802 1 1 42 ARG HD3 H -10.700 0.307 7.159 1.00 . A A . 42 ARG HD3 1 1 6 4803 1 1 42 ARG HE H -11.654 -0.876 9.684 1.00 . A A . 42 ARG HE 1 1 6 4804 1 1 42 ARG HG2 H -9.617 -1.941 8.114 1.00 . A A . 42 ARG HG2 1 1 6 4805 1 1 42 ARG HG3 H -8.716 -0.765 9.073 1.00 . A A . 42 ARG HG3 1 1 6 4806 1 1 42 ARG HH11 H -12.069 -0.250 6.263 1.00 . A A . 42 ARG HH11 1 1 6 4807 1 1 42 ARG HH12 H -13.653 -0.943 6.211 1.00 . A A . 42 ARG HH12 1 1 6 4808 1 1 42 ARG HH21 H -13.734 -1.785 9.598 1.00 . A A . 42 ARG HH21 1 1 6 4809 1 1 42 ARG HH22 H -14.596 -1.812 8.096 1.00 . A A . 42 ARG HH22 1 1 6 4810 1 1 42 ARG N N -7.989 1.768 7.256 1.00 . A A . 42 ARG N 1 1 6 4811 1 1 42 ARG NE N -11.671 -0.656 8.729 1.00 . A A . 42 ARG NE 1 1 6 4812 1 1 42 ARG NH1 N -12.832 -0.699 6.726 1.00 . A A . 42 ARG NH1 1 1 6 4813 1 1 42 ARG NH2 N -13.780 -1.573 8.622 1.00 . A A . 42 ARG NH2 1 1 6 4814 1 1 42 ARG O O -5.218 -0.228 6.333 1.00 . A A . 42 ARG O 1 1 6 4815 1 1 43 ASN C C -4.457 1.901 4.095 1.00 . A A . 43 ASN C 1 1 6 4816 1 1 43 ASN CA C -5.624 0.945 3.861 1.00 . A A . 43 ASN CA 1 1 6 4817 1 1 43 ASN CB C -6.381 1.353 2.599 1.00 . A A . 43 ASN CB 1 1 6 4818 1 1 43 ASN CG C -6.158 0.382 1.477 1.00 . A A . 43 ASN CG 1 1 6 4819 1 1 43 ASN H H -7.416 1.411 4.858 1.00 . A A . 43 ASN H 1 1 6 4820 1 1 43 ASN HA H -5.252 -0.060 3.755 1.00 . A A . 43 ASN HA 1 1 6 4821 1 1 43 ASN HB2 H -7.438 1.389 2.815 1.00 . A A . 43 ASN HB2 1 1 6 4822 1 1 43 ASN HB3 H -6.050 2.330 2.280 1.00 . A A . 43 ASN HB3 1 1 6 4823 1 1 43 ASN HD21 H -7.504 -0.790 2.338 1.00 . A A . 43 ASN HD21 1 1 6 4824 1 1 43 ASN HD22 H -6.802 -1.396 0.865 1.00 . A A . 43 ASN HD22 1 1 6 4825 1 1 43 ASN N N -6.546 0.984 4.981 1.00 . A A . 43 ASN N 1 1 6 4826 1 1 43 ASN ND2 N -6.892 -0.713 1.562 1.00 . A A . 43 ASN ND2 1 1 6 4827 1 1 43 ASN O O -4.367 2.960 3.473 1.00 . A A . 43 ASN O 1 1 6 4828 1 1 43 ASN OD1 O -5.360 0.602 0.565 1.00 . A A . 43 ASN OD1 1 1 6 4829 1 1 44 ASN C C -1.272 1.544 5.925 1.00 . A A . 44 ASN C 1 1 6 4830 1 1 44 ASN CA C -2.421 2.363 5.337 1.00 . A A . 44 ASN CA 1 1 6 4831 1 1 44 ASN CB C -2.845 3.452 6.329 1.00 . A A . 44 ASN CB 1 1 6 4832 1 1 44 ASN CG C -1.676 4.263 6.853 1.00 . A A . 44 ASN CG 1 1 6 4833 1 1 44 ASN H H -3.700 0.678 5.483 1.00 . A A . 44 ASN H 1 1 6 4834 1 1 44 ASN HA H -2.083 2.834 4.427 1.00 . A A . 44 ASN HA 1 1 6 4835 1 1 44 ASN HB2 H -3.535 4.124 5.843 1.00 . A A . 44 ASN HB2 1 1 6 4836 1 1 44 ASN HB3 H -3.338 2.986 7.169 1.00 . A A . 44 ASN HB3 1 1 6 4837 1 1 44 ASN HD21 H -1.777 3.316 8.598 1.00 . A A . 44 ASN HD21 1 1 6 4838 1 1 44 ASN HD22 H -0.541 4.512 8.466 1.00 . A A . 44 ASN HD22 1 1 6 4839 1 1 44 ASN N N -3.571 1.527 5.010 1.00 . A A . 44 ASN N 1 1 6 4840 1 1 44 ASN ND2 N -1.291 4.005 8.097 1.00 . A A . 44 ASN ND2 1 1 6 4841 1 1 44 ASN O O -1.217 1.326 7.136 1.00 . A A . 44 ASN O 1 1 6 4842 1 1 44 ASN OD1 O -1.128 5.112 6.151 1.00 . A A . 44 ASN OD1 1 1 6 4843 1 1 45 PHE C C 2.053 1.211 5.509 1.00 . A A . 45 PHE C 1 1 6 4844 1 1 45 PHE CA C 0.801 0.340 5.527 1.00 . A A . 45 PHE CA 1 1 6 4845 1 1 45 PHE CB C 1.003 -0.881 4.634 1.00 . A A . 45 PHE CB 1 1 6 4846 1 1 45 PHE CD1 C -0.244 -2.790 5.684 1.00 . A A . 45 PHE CD1 1 1 6 4847 1 1 45 PHE CD2 C -1.147 -1.791 3.716 1.00 . A A . 45 PHE CD2 1 1 6 4848 1 1 45 PHE CE1 C -1.310 -3.670 5.730 1.00 . A A . 45 PHE CE1 1 1 6 4849 1 1 45 PHE CE2 C -2.214 -2.668 3.755 1.00 . A A . 45 PHE CE2 1 1 6 4850 1 1 45 PHE CG C -0.150 -1.842 4.676 1.00 . A A . 45 PHE CG 1 1 6 4851 1 1 45 PHE CZ C -2.297 -3.608 4.764 1.00 . A A . 45 PHE CZ 1 1 6 4852 1 1 45 PHE H H -0.427 1.316 4.119 1.00 . A A . 45 PHE H 1 1 6 4853 1 1 45 PHE HA H 0.610 0.011 6.540 1.00 . A A . 45 PHE HA 1 1 6 4854 1 1 45 PHE HB2 H 1.131 -0.554 3.610 1.00 . A A . 45 PHE HB2 1 1 6 4855 1 1 45 PHE HB3 H 1.888 -1.405 4.953 1.00 . A A . 45 PHE HB3 1 1 6 4856 1 1 45 PHE HD1 H 0.527 -2.838 6.438 1.00 . A A . 45 PHE HD1 1 1 6 4857 1 1 45 PHE HD2 H -1.084 -1.056 2.926 1.00 . A A . 45 PHE HD2 1 1 6 4858 1 1 45 PHE HE1 H -1.371 -4.402 6.520 1.00 . A A . 45 PHE HE1 1 1 6 4859 1 1 45 PHE HE2 H -2.983 -2.617 2.999 1.00 . A A . 45 PHE HE2 1 1 6 4860 1 1 45 PHE HZ H -3.130 -4.295 4.798 1.00 . A A . 45 PHE HZ 1 1 6 4861 1 1 45 PHE N N -0.345 1.110 5.073 1.00 . A A . 45 PHE N 1 1 6 4862 1 1 45 PHE O O 2.343 1.875 4.513 1.00 . A A . 45 PHE O 1 1 6 4863 1 1 46 LYS C C 5.055 1.555 5.708 1.00 . A A . 46 LYS C 1 1 6 4864 1 1 46 LYS CA C 4.004 2.012 6.719 1.00 . A A . 46 LYS CA 1 1 6 4865 1 1 46 LYS CB C 4.575 1.933 8.135 1.00 . A A . 46 LYS CB 1 1 6 4866 1 1 46 LYS CD C 6.110 2.943 9.848 1.00 . A A . 46 LYS CD 1 1 6 4867 1 1 46 LYS CE C 7.165 4.006 10.116 1.00 . A A . 46 LYS CE 1 1 6 4868 1 1 46 LYS CG C 5.734 2.887 8.376 1.00 . A A . 46 LYS CG 1 1 6 4869 1 1 46 LYS H H 2.506 0.670 7.380 1.00 . A A . 46 LYS H 1 1 6 4870 1 1 46 LYS HA H 3.743 3.037 6.504 1.00 . A A . 46 LYS HA 1 1 6 4871 1 1 46 LYS HB2 H 3.791 2.169 8.840 1.00 . A A . 46 LYS HB2 1 1 6 4872 1 1 46 LYS HB3 H 4.921 0.927 8.317 1.00 . A A . 46 LYS HB3 1 1 6 4873 1 1 46 LYS HD2 H 5.229 3.173 10.427 1.00 . A A . 46 LYS HD2 1 1 6 4874 1 1 46 LYS HD3 H 6.498 1.980 10.147 1.00 . A A . 46 LYS HD3 1 1 6 4875 1 1 46 LYS HE2 H 7.452 4.459 9.178 1.00 . A A . 46 LYS HE2 1 1 6 4876 1 1 46 LYS HE3 H 6.742 4.759 10.764 1.00 . A A . 46 LYS HE3 1 1 6 4877 1 1 46 LYS HG2 H 6.589 2.551 7.809 1.00 . A A . 46 LYS HG2 1 1 6 4878 1 1 46 LYS HG3 H 5.448 3.876 8.048 1.00 . A A . 46 LYS HG3 1 1 6 4879 1 1 46 LYS HZ1 H 8.103 2.696 11.446 1.00 . A A . 46 LYS HZ1 1 1 6 4880 1 1 46 LYS HZ2 H 8.897 4.178 11.270 1.00 . A A . 46 LYS HZ2 1 1 6 4881 1 1 46 LYS HZ3 H 9.002 3.013 10.048 1.00 . A A . 46 LYS HZ3 1 1 6 4882 1 1 46 LYS N N 2.788 1.214 6.616 1.00 . A A . 46 LYS N 1 1 6 4883 1 1 46 LYS NZ N 8.377 3.434 10.765 1.00 . A A . 46 LYS NZ 1 1 6 4884 1 1 46 LYS O O 6.046 2.249 5.477 1.00 . A A . 46 LYS O 1 1 6 4885 1 1 47 SER C C 5.065 -1.001 3.096 1.00 . A A . 47 SER C 1 1 6 4886 1 1 47 SER CA C 5.772 -0.141 4.125 1.00 . A A . 47 SER CA 1 1 6 4887 1 1 47 SER CB C 6.860 -0.967 4.810 1.00 . A A . 47 SER CB 1 1 6 4888 1 1 47 SER H H 4.033 -0.125 5.322 1.00 . A A . 47 SER H 1 1 6 4889 1 1 47 SER HA H 6.234 0.695 3.624 1.00 . A A . 47 SER HA 1 1 6 4890 1 1 47 SER HB2 H 7.000 -1.893 4.268 1.00 . A A . 47 SER HB2 1 1 6 4891 1 1 47 SER HB3 H 7.781 -0.409 4.809 1.00 . A A . 47 SER HB3 1 1 6 4892 1 1 47 SER HG H 6.475 -0.469 6.665 1.00 . A A . 47 SER HG 1 1 6 4893 1 1 47 SER N N 4.838 0.389 5.105 1.00 . A A . 47 SER N 1 1 6 4894 1 1 47 SER O O 4.112 -1.713 3.413 1.00 . A A . 47 SER O 1 1 6 4895 1 1 47 SER OG O 6.507 -1.276 6.147 1.00 . A A . 47 SER OG 1 1 6 4896 1 1 48 ALA C C 5.073 -3.220 1.151 1.00 . A A . 48 ALA C 1 1 6 4897 1 1 48 ALA CA C 4.973 -1.750 0.798 1.00 . A A . 48 ALA CA 1 1 6 4898 1 1 48 ALA CB C 5.656 -1.465 -0.533 1.00 . A A . 48 ALA CB 1 1 6 4899 1 1 48 ALA H H 6.330 -0.382 1.680 1.00 . A A . 48 ALA H 1 1 6 4900 1 1 48 ALA HA H 3.925 -1.486 0.717 1.00 . A A . 48 ALA HA 1 1 6 4901 1 1 48 ALA HB1 H 6.503 -0.815 -0.371 1.00 . A A . 48 ALA HB1 1 1 6 4902 1 1 48 ALA HB2 H 4.955 -0.985 -1.202 1.00 . A A . 48 ALA HB2 1 1 6 4903 1 1 48 ALA HB3 H 5.993 -2.392 -0.972 1.00 . A A . 48 ALA HB3 1 1 6 4904 1 1 48 ALA N N 5.553 -0.952 1.865 1.00 . A A . 48 ALA N 1 1 6 4905 1 1 48 ALA O O 4.176 -4.005 0.848 1.00 . A A . 48 ALA O 1 1 6 4906 1 1 49 GLU C C 5.187 -5.326 3.174 1.00 . A A . 49 GLU C 1 1 6 4907 1 1 49 GLU CA C 6.340 -4.955 2.260 1.00 . A A . 49 GLU CA 1 1 6 4908 1 1 49 GLU CB C 7.674 -5.122 2.991 1.00 . A A . 49 GLU CB 1 1 6 4909 1 1 49 GLU CD C 9.131 -3.735 1.467 1.00 . A A . 49 GLU CD 1 1 6 4910 1 1 49 GLU CG C 8.881 -5.104 2.068 1.00 . A A . 49 GLU CG 1 1 6 4911 1 1 49 GLU H H 6.826 -2.910 2.069 1.00 . A A . 49 GLU H 1 1 6 4912 1 1 49 GLU HA H 6.323 -5.589 1.387 1.00 . A A . 49 GLU HA 1 1 6 4913 1 1 49 GLU HB2 H 7.782 -4.320 3.707 1.00 . A A . 49 GLU HB2 1 1 6 4914 1 1 49 GLU HB3 H 7.666 -6.065 3.518 1.00 . A A . 49 GLU HB3 1 1 6 4915 1 1 49 GLU HG2 H 9.754 -5.400 2.630 1.00 . A A . 49 GLU HG2 1 1 6 4916 1 1 49 GLU HG3 H 8.714 -5.808 1.266 1.00 . A A . 49 GLU HG3 1 1 6 4917 1 1 49 GLU N N 6.156 -3.583 1.830 1.00 . A A . 49 GLU N 1 1 6 4918 1 1 49 GLU O O 4.650 -6.430 3.105 1.00 . A A . 49 GLU O 1 1 6 4919 1 1 49 GLU OE1 O 8.431 -3.374 0.498 1.00 . A A . 49 GLU OE1 1 1 6 4920 1 1 49 GLU OE2 O 10.029 -3.024 1.967 1.00 . A A . 49 GLU OE2 1 1 6 4921 1 1 50 ASP C C 2.378 -4.749 4.153 1.00 . A A . 50 ASP C 1 1 6 4922 1 1 50 ASP CA C 3.683 -4.568 4.928 1.00 . A A . 50 ASP CA 1 1 6 4923 1 1 50 ASP CB C 3.567 -3.388 5.895 1.00 . A A . 50 ASP CB 1 1 6 4924 1 1 50 ASP CG C 3.444 -3.834 7.338 1.00 . A A . 50 ASP CG 1 1 6 4925 1 1 50 ASP H H 5.257 -3.501 4.000 1.00 . A A . 50 ASP H 1 1 6 4926 1 1 50 ASP HA H 3.878 -5.466 5.494 1.00 . A A . 50 ASP HA 1 1 6 4927 1 1 50 ASP HB2 H 4.447 -2.767 5.803 1.00 . A A . 50 ASP HB2 1 1 6 4928 1 1 50 ASP HB3 H 2.694 -2.809 5.642 1.00 . A A . 50 ASP HB3 1 1 6 4929 1 1 50 ASP N N 4.794 -4.370 4.012 1.00 . A A . 50 ASP N 1 1 6 4930 1 1 50 ASP O O 1.614 -5.674 4.430 1.00 . A A . 50 ASP O 1 1 6 4931 1 1 50 ASP OD1 O 4.492 -4.011 7.997 1.00 . A A . 50 ASP OD1 1 1 6 4932 1 1 50 ASP OD2 O 2.301 -4.008 7.811 1.00 . A A . 50 ASP OD2 1 1 6 4933 1 1 51 CYS C C 0.866 -5.302 1.632 1.00 . A A . 51 CYS C 1 1 6 4934 1 1 51 CYS CA C 0.907 -3.968 2.376 1.00 . A A . 51 CYS CA 1 1 6 4935 1 1 51 CYS CB C 0.842 -2.802 1.380 1.00 . A A . 51 CYS CB 1 1 6 4936 1 1 51 CYS H H 2.766 -3.142 2.985 1.00 . A A . 51 CYS H 1 1 6 4937 1 1 51 CYS HA H 0.057 -3.914 3.044 1.00 . A A . 51 CYS HA 1 1 6 4938 1 1 51 CYS HB2 H 0.542 -1.907 1.907 1.00 . A A . 51 CYS HB2 1 1 6 4939 1 1 51 CYS HB3 H 1.827 -2.650 0.955 1.00 . A A . 51 CYS HB3 1 1 6 4940 1 1 51 CYS N N 2.123 -3.870 3.176 1.00 . A A . 51 CYS N 1 1 6 4941 1 1 51 CYS O O -0.109 -6.048 1.724 1.00 . A A . 51 CYS O 1 1 6 4942 1 1 51 CYS SG S -0.326 -3.038 -0.003 1.00 . A A . 51 CYS SG 1 1 6 4943 1 1 52 LEU C C 1.837 -8.060 1.035 1.00 . A A . 52 LEU C 1 1 6 4944 1 1 52 LEU CA C 2.027 -6.836 0.139 1.00 . A A . 52 LEU CA 1 1 6 4945 1 1 52 LEU CB C 3.378 -6.918 -0.574 1.00 . A A . 52 LEU CB 1 1 6 4946 1 1 52 LEU CD1 C 5.003 -5.971 -2.234 1.00 . A A . 52 LEU CD1 1 1 6 4947 1 1 52 LEU CD2 C 2.567 -6.073 -2.790 1.00 . A A . 52 LEU CD2 1 1 6 4948 1 1 52 LEU CG C 3.589 -5.882 -1.680 1.00 . A A . 52 LEU CG 1 1 6 4949 1 1 52 LEU H H 2.679 -4.964 0.873 1.00 . A A . 52 LEU H 1 1 6 4950 1 1 52 LEU HA H 1.242 -6.823 -0.605 1.00 . A A . 52 LEU HA 1 1 6 4951 1 1 52 LEU HB2 H 4.160 -6.794 0.162 1.00 . A A . 52 LEU HB2 1 1 6 4952 1 1 52 LEU HB3 H 3.471 -7.901 -1.012 1.00 . A A . 52 LEU HB3 1 1 6 4953 1 1 52 LEU HD11 H 5.712 -5.729 -1.456 1.00 . A A . 52 LEU HD11 1 1 6 4954 1 1 52 LEU HD12 H 5.114 -5.274 -3.051 1.00 . A A . 52 LEU HD12 1 1 6 4955 1 1 52 LEU HD13 H 5.188 -6.974 -2.589 1.00 . A A . 52 LEU HD13 1 1 6 4956 1 1 52 LEU HD21 H 2.463 -7.125 -3.007 1.00 . A A . 52 LEU HD21 1 1 6 4957 1 1 52 LEU HD22 H 2.899 -5.554 -3.678 1.00 . A A . 52 LEU HD22 1 1 6 4958 1 1 52 LEU HD23 H 1.614 -5.674 -2.475 1.00 . A A . 52 LEU HD23 1 1 6 4959 1 1 52 LEU HG H 3.455 -4.893 -1.267 1.00 . A A . 52 LEU HG 1 1 6 4960 1 1 52 LEU N N 1.934 -5.597 0.901 1.00 . A A . 52 LEU N 1 1 6 4961 1 1 52 LEU O O 1.111 -8.987 0.686 1.00 . A A . 52 LEU O 1 1 6 4962 1 1 53 ARG C C 0.934 -9.411 3.536 1.00 . A A . 53 ARG C 1 1 6 4963 1 1 53 ARG CA C 2.382 -9.189 3.109 1.00 . A A . 53 ARG CA 1 1 6 4964 1 1 53 ARG CB C 3.259 -8.962 4.345 1.00 . A A . 53 ARG CB 1 1 6 4965 1 1 53 ARG CD C 2.901 -11.154 5.522 1.00 . A A . 53 ARG CD 1 1 6 4966 1 1 53 ARG CG C 3.914 -10.230 4.866 1.00 . A A . 53 ARG CG 1 1 6 4967 1 1 53 ARG CZ C 2.886 -13.209 4.158 1.00 . A A . 53 ARG CZ 1 1 6 4968 1 1 53 ARG H H 3.060 -7.302 2.423 1.00 . A A . 53 ARG H 1 1 6 4969 1 1 53 ARG HA H 2.729 -10.072 2.593 1.00 . A A . 53 ARG HA 1 1 6 4970 1 1 53 ARG HB2 H 4.038 -8.259 4.097 1.00 . A A . 53 ARG HB2 1 1 6 4971 1 1 53 ARG HB3 H 2.649 -8.548 5.134 1.00 . A A . 53 ARG HB3 1 1 6 4972 1 1 53 ARG HD2 H 3.398 -11.721 6.294 1.00 . A A . 53 ARG HD2 1 1 6 4973 1 1 53 ARG HD3 H 2.119 -10.553 5.963 1.00 . A A . 53 ARG HD3 1 1 6 4974 1 1 53 ARG HE H 1.424 -11.848 4.197 1.00 . A A . 53 ARG HE 1 1 6 4975 1 1 53 ARG HG2 H 4.379 -10.750 4.041 1.00 . A A . 53 ARG HG2 1 1 6 4976 1 1 53 ARG HG3 H 4.667 -9.961 5.593 1.00 . A A . 53 ARG HG3 1 1 6 4977 1 1 53 ARG HH11 H 4.547 -12.970 5.289 1.00 . A A . 53 ARG HH11 1 1 6 4978 1 1 53 ARG HH12 H 4.507 -14.405 4.322 1.00 . A A . 53 ARG HH12 1 1 6 4979 1 1 53 ARG HH21 H 1.375 -13.735 2.925 1.00 . A A . 53 ARG HH21 1 1 6 4980 1 1 53 ARG HH22 H 2.708 -14.840 2.979 1.00 . A A . 53 ARG HH22 1 1 6 4981 1 1 53 ARG N N 2.491 -8.064 2.189 1.00 . A A . 53 ARG N 1 1 6 4982 1 1 53 ARG NE N 2.305 -12.080 4.561 1.00 . A A . 53 ARG NE 1 1 6 4983 1 1 53 ARG NH1 N 4.078 -13.555 4.629 1.00 . A A . 53 ARG NH1 1 1 6 4984 1 1 53 ARG NH2 N 2.272 -13.992 3.282 1.00 . A A . 53 ARG NH2 1 1 6 4985 1 1 53 ARG O O 0.451 -10.543 3.560 1.00 . A A . 53 ARG O 1 1 6 4986 1 1 54 THR C C -2.119 -8.507 3.149 1.00 . A A . 54 THR C 1 1 6 4987 1 1 54 THR CA C -1.142 -8.407 4.321 1.00 . A A . 54 THR CA 1 1 6 4988 1 1 54 THR CB C -1.489 -7.196 5.188 1.00 . A A . 54 THR CB 1 1 6 4989 1 1 54 THR CG2 C -2.881 -7.265 5.779 1.00 . A A . 54 THR CG2 1 1 6 4990 1 1 54 THR H H 0.689 -7.452 3.848 1.00 . A A . 54 THR H 1 1 6 4991 1 1 54 THR HA H -1.239 -9.299 4.923 1.00 . A A . 54 THR HA 1 1 6 4992 1 1 54 THR HB H -1.429 -6.301 4.585 1.00 . A A . 54 THR HB 1 1 6 4993 1 1 54 THR HG1 H -0.550 -6.165 6.562 1.00 . A A . 54 THR HG1 1 1 6 4994 1 1 54 THR HG21 H -3.157 -8.298 5.933 1.00 . A A . 54 THR HG21 1 1 6 4995 1 1 54 THR HG22 H -3.583 -6.802 5.102 1.00 . A A . 54 THR HG22 1 1 6 4996 1 1 54 THR HG23 H -2.896 -6.743 6.726 1.00 . A A . 54 THR HG23 1 1 6 4997 1 1 54 THR N N 0.248 -8.327 3.881 1.00 . A A . 54 THR N 1 1 6 4998 1 1 54 THR O O -2.853 -9.488 3.027 1.00 . A A . 54 THR O 1 1 6 4999 1 1 54 THR OG1 O -0.574 -7.075 6.262 1.00 . A A . 54 THR OG1 1 1 6 5000 1 1 55 CYS C C -2.528 -8.152 -0.054 1.00 . A A . 55 CYS C 1 1 6 5001 1 1 55 CYS CA C -3.080 -7.446 1.182 1.00 . A A . 55 CYS CA 1 1 6 5002 1 1 55 CYS CB C -3.446 -6.007 0.831 1.00 . A A . 55 CYS CB 1 1 6 5003 1 1 55 CYS H H -1.574 -6.703 2.472 1.00 . A A . 55 CYS H 1 1 6 5004 1 1 55 CYS HA H -3.971 -7.960 1.492 1.00 . A A . 55 CYS HA 1 1 6 5005 1 1 55 CYS HB2 H -2.610 -5.534 0.337 1.00 . A A . 55 CYS HB2 1 1 6 5006 1 1 55 CYS HB3 H -4.293 -6.016 0.163 1.00 . A A . 55 CYS HB3 1 1 6 5007 1 1 55 CYS N N -2.157 -7.474 2.311 1.00 . A A . 55 CYS N 1 1 6 5008 1 1 55 CYS O O -3.293 -8.680 -0.861 1.00 . A A . 55 CYS O 1 1 6 5009 1 1 55 CYS SG S -3.896 -4.992 2.271 1.00 . A A . 55 CYS SG 1 1 6 5010 1 1 56 GLY C C -0.848 -10.301 -1.380 1.00 . A A . 56 GLY C 1 1 6 5011 1 1 56 GLY CA C -0.616 -8.802 -1.372 1.00 . A A . 56 GLY CA 1 1 6 5012 1 1 56 GLY H H -0.636 -7.719 0.452 1.00 . A A . 56 GLY H 1 1 6 5013 1 1 56 GLY HA2 H -1.052 -8.378 -2.265 1.00 . A A . 56 GLY HA2 1 1 6 5014 1 1 56 GLY HA3 H 0.448 -8.607 -1.380 1.00 . A A . 56 GLY HA3 1 1 6 5015 1 1 56 GLY N N -1.210 -8.156 -0.213 1.00 . A A . 56 GLY N 1 1 6 5016 1 1 56 GLY O O -1.989 -10.758 -1.314 1.00 . A A . 56 GLY O 1 1 6 5017 1 1 57 GLY C C -0.132 -13.058 -2.867 1.00 . A A . 57 GLY C 1 1 6 5018 1 1 57 GLY CA C 0.118 -12.515 -1.475 1.00 . A A . 57 GLY CA 1 1 6 5019 1 1 57 GLY H H 1.119 -10.648 -1.509 1.00 . A A . 57 GLY H 1 1 6 5020 1 1 57 GLY HA2 H 1.033 -12.942 -1.092 1.00 . A A . 57 GLY HA2 1 1 6 5021 1 1 57 GLY HA3 H -0.700 -12.808 -0.832 1.00 . A A . 57 GLY HA3 1 1 6 5022 1 1 57 GLY N N 0.235 -11.068 -1.460 1.00 . A A . 57 GLY N 1 1 6 5023 1 1 57 GLY O O 0.655 -13.853 -3.380 1.00 . A A . 57 GLY O 1 1 6 5024 1 1 58 ALA C C -0.713 -12.374 -5.873 1.00 . A A . 58 ALA C 1 1 6 5025 1 1 58 ALA CA C -1.575 -13.072 -4.826 1.00 . A A . 58 ALA CA 1 1 6 5026 1 1 58 ALA CB C -3.053 -12.828 -5.101 1.00 . A A . 58 ALA CB 1 1 6 5027 1 1 58 ALA H H -1.816 -11.990 -3.023 1.00 . A A . 58 ALA H 1 1 6 5028 1 1 58 ALA HA H -1.394 -14.136 -4.879 1.00 . A A . 58 ALA HA 1 1 6 5029 1 1 58 ALA HB1 H -3.470 -12.220 -4.313 1.00 . A A . 58 ALA HB1 1 1 6 5030 1 1 58 ALA HB2 H -3.572 -13.775 -5.138 1.00 . A A . 58 ALA HB2 1 1 6 5031 1 1 58 ALA HB3 H -3.165 -12.319 -6.047 1.00 . A A . 58 ALA HB3 1 1 6 5032 1 1 58 ALA N N -1.228 -12.626 -3.482 1.00 . A A . 58 ALA N 1 1 6 5033 1 1 58 ALA O O -0.687 -12.847 -7.028 1.00 . A A . 58 ALA O 1 1 6 5034 1 1 58 ALA OXT O -0.071 -11.359 -5.528 1.00 . A A . 58 ALA OXT 1 1 7 5035 1 1 1 ARG C C -8.141 -10.830 0.872 1.00 . A A . 1 ARG C 1 1 7 5036 1 1 1 ARG CA C -7.260 -11.455 -0.210 1.00 . A A . 1 ARG CA 1 1 7 5037 1 1 1 ARG CB C -7.426 -10.701 -1.534 1.00 . A A . 1 ARG CB 1 1 7 5038 1 1 1 ARG CD C -9.019 -10.314 -3.442 1.00 . A A . 1 ARG CD 1 1 7 5039 1 1 1 ARG CG C -8.877 -10.477 -1.937 1.00 . A A . 1 ARG CG 1 1 7 5040 1 1 1 ARG CZ C -9.633 -11.751 -5.348 1.00 . A A . 1 ARG CZ 1 1 7 5041 1 1 1 ARG H1 H -7.780 -13.315 0.500 1.00 . A A . 1 ARG H1 1 1 7 5042 1 1 1 ARG H2 H -6.811 -13.334 -0.916 1.00 . A A . 1 ARG H2 1 1 7 5043 1 1 1 ARG H3 H -8.471 -12.911 -1.016 1.00 . A A . 1 ARG H3 1 1 7 5044 1 1 1 ARG HA H -6.228 -11.402 0.101 1.00 . A A . 1 ARG HA 1 1 7 5045 1 1 1 ARG HB2 H -6.947 -9.737 -1.448 1.00 . A A . 1 ARG HB2 1 1 7 5046 1 1 1 ARG HB3 H -6.942 -11.265 -2.317 1.00 . A A . 1 ARG HB3 1 1 7 5047 1 1 1 ARG HD2 H -9.904 -9.731 -3.645 1.00 . A A . 1 ARG HD2 1 1 7 5048 1 1 1 ARG HD3 H -8.151 -9.794 -3.818 1.00 . A A . 1 ARG HD3 1 1 7 5049 1 1 1 ARG HE H -8.822 -12.397 -3.644 1.00 . A A . 1 ARG HE 1 1 7 5050 1 1 1 ARG HG2 H -9.465 -11.325 -1.620 1.00 . A A . 1 ARG HG2 1 1 7 5051 1 1 1 ARG HG3 H -9.240 -9.583 -1.451 1.00 . A A . 1 ARG HG3 1 1 7 5052 1 1 1 ARG HH11 H -10.015 -9.784 -5.625 1.00 . A A . 1 ARG HH11 1 1 7 5053 1 1 1 ARG HH12 H -10.438 -10.816 -6.950 1.00 . A A . 1 ARG HH12 1 1 7 5054 1 1 1 ARG HH21 H -9.377 -13.755 -5.387 1.00 . A A . 1 ARG HH21 1 1 7 5055 1 1 1 ARG HH22 H -10.076 -13.070 -6.815 1.00 . A A . 1 ARG HH22 1 1 7 5056 1 1 1 ARG N N -7.613 -12.882 -0.430 1.00 . A A . 1 ARG N 1 1 7 5057 1 1 1 ARG NE N -9.133 -11.602 -4.123 1.00 . A A . 1 ARG NE 1 1 7 5058 1 1 1 ARG NH1 N -10.064 -10.696 -6.030 1.00 . A A . 1 ARG NH1 1 1 7 5059 1 1 1 ARG NH2 N -9.700 -12.957 -5.894 1.00 . A A . 1 ARG NH2 1 1 7 5060 1 1 1 ARG O O -9.355 -11.037 0.883 1.00 . A A . 1 ARG O 1 1 7 5061 1 1 2 PRO C C -9.353 -8.443 2.324 1.00 . A A . 2 PRO C 1 1 7 5062 1 1 2 PRO CA C -8.304 -9.411 2.874 1.00 . A A . 2 PRO CA 1 1 7 5063 1 1 2 PRO CB C -7.245 -8.666 3.694 1.00 . A A . 2 PRO CB 1 1 7 5064 1 1 2 PRO CD C -6.108 -9.753 1.873 1.00 . A A . 2 PRO CD 1 1 7 5065 1 1 2 PRO CG C -5.928 -9.235 3.273 1.00 . A A . 2 PRO CG 1 1 7 5066 1 1 2 PRO HA H -8.797 -10.144 3.498 1.00 . A A . 2 PRO HA 1 1 7 5067 1 1 2 PRO HB2 H -7.303 -7.609 3.483 1.00 . A A . 2 PRO HB2 1 1 7 5068 1 1 2 PRO HB3 H -7.423 -8.840 4.748 1.00 . A A . 2 PRO HB3 1 1 7 5069 1 1 2 PRO HD2 H -5.836 -8.998 1.152 1.00 . A A . 2 PRO HD2 1 1 7 5070 1 1 2 PRO HD3 H -5.518 -10.646 1.726 1.00 . A A . 2 PRO HD3 1 1 7 5071 1 1 2 PRO HG2 H -5.171 -8.461 3.293 1.00 . A A . 2 PRO HG2 1 1 7 5072 1 1 2 PRO HG3 H -5.653 -10.042 3.936 1.00 . A A . 2 PRO HG3 1 1 7 5073 1 1 2 PRO N N -7.546 -10.056 1.800 1.00 . A A . 2 PRO N 1 1 7 5074 1 1 2 PRO O O -9.093 -7.694 1.386 1.00 . A A . 2 PRO O 1 1 7 5075 1 1 3 ASP C C -11.272 -6.171 2.321 1.00 . A A . 3 ASP C 1 1 7 5076 1 1 3 ASP CA C -11.660 -7.645 2.459 1.00 . A A . 3 ASP CA 1 1 7 5077 1 1 3 ASP CB C -12.833 -7.776 3.431 1.00 . A A . 3 ASP CB 1 1 7 5078 1 1 3 ASP CG C -13.394 -9.184 3.471 1.00 . A A . 3 ASP CG 1 1 7 5079 1 1 3 ASP H H -10.699 -9.125 3.629 1.00 . A A . 3 ASP H 1 1 7 5080 1 1 3 ASP HA H -11.976 -8.003 1.490 1.00 . A A . 3 ASP HA 1 1 7 5081 1 1 3 ASP HB2 H -12.502 -7.513 4.425 1.00 . A A . 3 ASP HB2 1 1 7 5082 1 1 3 ASP HB3 H -13.621 -7.102 3.129 1.00 . A A . 3 ASP HB3 1 1 7 5083 1 1 3 ASP N N -10.549 -8.490 2.899 1.00 . A A . 3 ASP N 1 1 7 5084 1 1 3 ASP O O -11.458 -5.576 1.261 1.00 . A A . 3 ASP O 1 1 7 5085 1 1 3 ASP OD1 O -12.599 -10.136 3.615 1.00 . A A . 3 ASP OD1 1 1 7 5086 1 1 3 ASP OD2 O -14.630 -9.335 3.358 1.00 . A A . 3 ASP OD2 1 1 7 5087 1 1 4 PHE C C -9.474 -3.813 2.213 1.00 . A A . 4 PHE C 1 1 7 5088 1 1 4 PHE CA C -10.396 -4.157 3.380 1.00 . A A . 4 PHE CA 1 1 7 5089 1 1 4 PHE CB C -9.729 -3.749 4.693 1.00 . A A . 4 PHE CB 1 1 7 5090 1 1 4 PHE CD1 C -9.171 -5.749 6.099 1.00 . A A . 4 PHE CD1 1 1 7 5091 1 1 4 PHE CD2 C -7.417 -4.690 4.881 1.00 . A A . 4 PHE CD2 1 1 7 5092 1 1 4 PHE CE1 C -8.271 -6.665 6.604 1.00 . A A . 4 PHE CE1 1 1 7 5093 1 1 4 PHE CE2 C -6.513 -5.605 5.382 1.00 . A A . 4 PHE CE2 1 1 7 5094 1 1 4 PHE CG C -8.755 -4.753 5.232 1.00 . A A . 4 PHE CG 1 1 7 5095 1 1 4 PHE CZ C -6.941 -6.594 6.243 1.00 . A A . 4 PHE CZ 1 1 7 5096 1 1 4 PHE H H -10.663 -6.089 4.223 1.00 . A A . 4 PHE H 1 1 7 5097 1 1 4 PHE HA H -11.309 -3.588 3.269 1.00 . A A . 4 PHE HA 1 1 7 5098 1 1 4 PHE HB2 H -9.188 -2.829 4.530 1.00 . A A . 4 PHE HB2 1 1 7 5099 1 1 4 PHE HB3 H -10.494 -3.588 5.442 1.00 . A A . 4 PHE HB3 1 1 7 5100 1 1 4 PHE HD1 H -10.213 -5.807 6.378 1.00 . A A . 4 PHE HD1 1 1 7 5101 1 1 4 PHE HD2 H -7.081 -3.916 4.207 1.00 . A A . 4 PHE HD2 1 1 7 5102 1 1 4 PHE HE1 H -8.608 -7.438 7.279 1.00 . A A . 4 PHE HE1 1 1 7 5103 1 1 4 PHE HE2 H -5.472 -5.547 5.099 1.00 . A A . 4 PHE HE2 1 1 7 5104 1 1 4 PHE HZ H -6.233 -7.310 6.637 1.00 . A A . 4 PHE HZ 1 1 7 5105 1 1 4 PHE N N -10.767 -5.575 3.397 1.00 . A A . 4 PHE N 1 1 7 5106 1 1 4 PHE O O -9.414 -2.665 1.779 1.00 . A A . 4 PHE O 1 1 7 5107 1 1 5 CYS C C -8.630 -4.106 -0.648 1.00 . A A . 5 CYS C 1 1 7 5108 1 1 5 CYS CA C -7.859 -4.581 0.575 1.00 . A A . 5 CYS CA 1 1 7 5109 1 1 5 CYS CB C -7.085 -5.849 0.245 1.00 . A A . 5 CYS CB 1 1 7 5110 1 1 5 CYS H H -8.857 -5.701 2.070 1.00 . A A . 5 CYS H 1 1 7 5111 1 1 5 CYS HA H -7.157 -3.815 0.861 1.00 . A A . 5 CYS HA 1 1 7 5112 1 1 5 CYS HB2 H -7.776 -6.640 0.008 1.00 . A A . 5 CYS HB2 1 1 7 5113 1 1 5 CYS HB3 H -6.463 -5.656 -0.608 1.00 . A A . 5 CYS HB3 1 1 7 5114 1 1 5 CYS N N -8.763 -4.805 1.698 1.00 . A A . 5 CYS N 1 1 7 5115 1 1 5 CYS O O -8.053 -3.561 -1.588 1.00 . A A . 5 CYS O 1 1 7 5116 1 1 5 CYS SG S -6.009 -6.422 1.594 1.00 . A A . 5 CYS SG 1 1 7 5117 1 1 6 LEU C C -11.181 -2.436 -1.625 1.00 . A A . 6 LEU C 1 1 7 5118 1 1 6 LEU CA C -10.800 -3.913 -1.732 1.00 . A A . 6 LEU CA 1 1 7 5119 1 1 6 LEU CB C -12.068 -4.771 -1.759 1.00 . A A . 6 LEU CB 1 1 7 5120 1 1 6 LEU CD1 C -13.170 -7.017 -1.606 1.00 . A A . 6 LEU CD1 1 1 7 5121 1 1 6 LEU CD2 C -11.005 -6.774 -2.832 1.00 . A A . 6 LEU CD2 1 1 7 5122 1 1 6 LEU CG C -11.840 -6.282 -1.658 1.00 . A A . 6 LEU CG 1 1 7 5123 1 1 6 LEU H H -10.336 -4.759 0.155 1.00 . A A . 6 LEU H 1 1 7 5124 1 1 6 LEU HA H -10.252 -4.067 -2.652 1.00 . A A . 6 LEU HA 1 1 7 5125 1 1 6 LEU HB2 H -12.699 -4.468 -0.936 1.00 . A A . 6 LEU HB2 1 1 7 5126 1 1 6 LEU HB3 H -12.590 -4.571 -2.683 1.00 . A A . 6 LEU HB3 1 1 7 5127 1 1 6 LEU HD11 H -13.471 -7.143 -0.577 1.00 . A A . 6 LEU HD11 1 1 7 5128 1 1 6 LEU HD12 H -13.066 -7.985 -2.072 1.00 . A A . 6 LEU HD12 1 1 7 5129 1 1 6 LEU HD13 H -13.919 -6.444 -2.133 1.00 . A A . 6 LEU HD13 1 1 7 5130 1 1 6 LEU HD21 H -11.659 -7.119 -3.619 1.00 . A A . 6 LEU HD21 1 1 7 5131 1 1 6 LEU HD22 H -10.372 -7.586 -2.507 1.00 . A A . 6 LEU HD22 1 1 7 5132 1 1 6 LEU HD23 H -10.392 -5.965 -3.202 1.00 . A A . 6 LEU HD23 1 1 7 5133 1 1 6 LEU HG H -11.303 -6.502 -0.746 1.00 . A A . 6 LEU HG 1 1 7 5134 1 1 6 LEU N N -9.939 -4.318 -0.626 1.00 . A A . 6 LEU N 1 1 7 5135 1 1 6 LEU O O -11.676 -1.846 -2.586 1.00 . A A . 6 LEU O 1 1 7 5136 1 1 7 GLU C C -10.297 0.476 -0.974 1.00 . A A . 7 GLU C 1 1 7 5137 1 1 7 GLU CA C -11.276 -0.436 -0.237 1.00 . A A . 7 GLU CA 1 1 7 5138 1 1 7 GLU CB C -11.266 -0.105 1.259 1.00 . A A . 7 GLU CB 1 1 7 5139 1 1 7 GLU CD C -13.134 -1.527 2.184 1.00 . A A . 7 GLU CD 1 1 7 5140 1 1 7 GLU CG C -12.645 -0.122 1.895 1.00 . A A . 7 GLU CG 1 1 7 5141 1 1 7 GLU H H -10.560 -2.361 0.279 1.00 . A A . 7 GLU H 1 1 7 5142 1 1 7 GLU HA H -12.266 -0.265 -0.625 1.00 . A A . 7 GLU HA 1 1 7 5143 1 1 7 GLU HB2 H -10.647 -0.823 1.774 1.00 . A A . 7 GLU HB2 1 1 7 5144 1 1 7 GLU HB3 H -10.844 0.880 1.395 1.00 . A A . 7 GLU HB3 1 1 7 5145 1 1 7 GLU HG2 H -12.606 0.427 2.825 1.00 . A A . 7 GLU HG2 1 1 7 5146 1 1 7 GLU HG3 H -13.343 0.356 1.225 1.00 . A A . 7 GLU HG3 1 1 7 5147 1 1 7 GLU N N -10.953 -1.843 -0.455 1.00 . A A . 7 GLU N 1 1 7 5148 1 1 7 GLU O O -9.095 0.448 -0.707 1.00 . A A . 7 GLU O 1 1 7 5149 1 1 7 GLU OE1 O -12.855 -2.432 1.370 1.00 . A A . 7 GLU OE1 1 1 7 5150 1 1 7 GLU OE2 O -13.794 -1.725 3.226 1.00 . A A . 7 GLU OE2 1 1 7 5151 1 1 8 PRO C C -9.742 3.550 -1.947 1.00 . A A . 8 PRO C 1 1 7 5152 1 1 8 PRO CA C -9.959 2.225 -2.675 1.00 . A A . 8 PRO CA 1 1 7 5153 1 1 8 PRO CB C -10.779 2.437 -3.943 1.00 . A A . 8 PRO CB 1 1 7 5154 1 1 8 PRO CD C -12.218 1.417 -2.297 1.00 . A A . 8 PRO CD 1 1 7 5155 1 1 8 PRO CG C -12.200 2.340 -3.494 1.00 . A A . 8 PRO CG 1 1 7 5156 1 1 8 PRO HA H -9.006 1.786 -2.923 1.00 . A A . 8 PRO HA 1 1 7 5157 1 1 8 PRO HB2 H -10.559 3.412 -4.358 1.00 . A A . 8 PRO HB2 1 1 7 5158 1 1 8 PRO HB3 H -10.539 1.670 -4.664 1.00 . A A . 8 PRO HB3 1 1 7 5159 1 1 8 PRO HD2 H -12.798 1.853 -1.497 1.00 . A A . 8 PRO HD2 1 1 7 5160 1 1 8 PRO HD3 H -12.619 0.453 -2.572 1.00 . A A . 8 PRO HD3 1 1 7 5161 1 1 8 PRO HG2 H -12.563 3.318 -3.216 1.00 . A A . 8 PRO HG2 1 1 7 5162 1 1 8 PRO HG3 H -12.804 1.929 -4.289 1.00 . A A . 8 PRO HG3 1 1 7 5163 1 1 8 PRO N N -10.796 1.305 -1.911 1.00 . A A . 8 PRO N 1 1 7 5164 1 1 8 PRO O O -10.539 3.935 -1.092 1.00 . A A . 8 PRO O 1 1 7 5165 1 1 9 PRO C C -8.987 6.715 -2.395 1.00 . A A . 9 PRO C 1 1 7 5166 1 1 9 PRO CA C -8.339 5.548 -1.658 1.00 . A A . 9 PRO CA 1 1 7 5167 1 1 9 PRO CB C -6.819 5.610 -1.773 1.00 . A A . 9 PRO CB 1 1 7 5168 1 1 9 PRO CD C -7.639 3.897 -3.283 1.00 . A A . 9 PRO CD 1 1 7 5169 1 1 9 PRO CG C -6.489 4.841 -3.014 1.00 . A A . 9 PRO CG 1 1 7 5170 1 1 9 PRO HA H -8.631 5.570 -0.620 1.00 . A A . 9 PRO HA 1 1 7 5171 1 1 9 PRO HB2 H -6.500 6.640 -1.851 1.00 . A A . 9 PRO HB2 1 1 7 5172 1 1 9 PRO HB3 H -6.372 5.156 -0.901 1.00 . A A . 9 PRO HB3 1 1 7 5173 1 1 9 PRO HD2 H -8.019 4.046 -4.286 1.00 . A A . 9 PRO HD2 1 1 7 5174 1 1 9 PRO HD3 H -7.317 2.873 -3.149 1.00 . A A . 9 PRO HD3 1 1 7 5175 1 1 9 PRO HG2 H -6.363 5.523 -3.842 1.00 . A A . 9 PRO HG2 1 1 7 5176 1 1 9 PRO HG3 H -5.581 4.278 -2.860 1.00 . A A . 9 PRO HG3 1 1 7 5177 1 1 9 PRO N N -8.653 4.270 -2.277 1.00 . A A . 9 PRO N 1 1 7 5178 1 1 9 PRO O O -9.712 6.517 -3.370 1.00 . A A . 9 PRO O 1 1 7 5179 1 1 10 TYR C C -8.380 10.336 -2.324 1.00 . A A . 10 TYR C 1 1 7 5180 1 1 10 TYR CA C -9.280 9.125 -2.552 1.00 . A A . 10 TYR CA 1 1 7 5181 1 1 10 TYR CB C -10.685 9.391 -2.006 1.00 . A A . 10 TYR CB 1 1 7 5182 1 1 10 TYR CD1 C -10.701 9.153 0.511 1.00 . A A . 10 TYR CD1 1 1 7 5183 1 1 10 TYR CD2 C -10.739 11.351 -0.411 1.00 . A A . 10 TYR CD2 1 1 7 5184 1 1 10 TYR CE1 C -10.726 9.684 1.788 1.00 . A A . 10 TYR CE1 1 1 7 5185 1 1 10 TYR CE2 C -10.764 11.889 0.862 1.00 . A A . 10 TYR CE2 1 1 7 5186 1 1 10 TYR CG C -10.708 9.977 -0.609 1.00 . A A . 10 TYR CG 1 1 7 5187 1 1 10 TYR CZ C -10.758 11.052 1.958 1.00 . A A . 10 TYR CZ 1 1 7 5188 1 1 10 TYR H H -8.139 8.028 -1.151 1.00 . A A . 10 TYR H 1 1 7 5189 1 1 10 TYR HA H -9.347 8.941 -3.617 1.00 . A A . 10 TYR HA 1 1 7 5190 1 1 10 TYR HB2 H -11.194 10.080 -2.661 1.00 . A A . 10 TYR HB2 1 1 7 5191 1 1 10 TYR HB3 H -11.227 8.458 -1.981 1.00 . A A . 10 TYR HB3 1 1 7 5192 1 1 10 TYR HD1 H -10.676 8.082 0.374 1.00 . A A . 10 TYR HD1 1 1 7 5193 1 1 10 TYR HD2 H -10.744 12.005 -1.271 1.00 . A A . 10 TYR HD2 1 1 7 5194 1 1 10 TYR HE1 H -10.721 9.027 2.645 1.00 . A A . 10 TYR HE1 1 1 7 5195 1 1 10 TYR HE2 H -10.789 12.960 0.995 1.00 . A A . 10 TYR HE2 1 1 7 5196 1 1 10 TYR HH H -9.958 11.378 3.676 1.00 . A A . 10 TYR HH 1 1 7 5197 1 1 10 TYR N N -8.721 7.930 -1.929 1.00 . A A . 10 TYR N 1 1 7 5198 1 1 10 TYR O O -7.652 10.405 -1.335 1.00 . A A . 10 TYR O 1 1 7 5199 1 1 10 TYR OH O -10.782 11.583 3.227 1.00 . A A . 10 TYR OH 1 1 7 5200 1 1 11 ALA C C -8.483 13.749 -3.250 1.00 . A A . 11 ALA C 1 1 7 5201 1 1 11 ALA CA C -7.622 12.496 -3.161 1.00 . A A . 11 ALA CA 1 1 7 5202 1 1 11 ALA CB C -6.563 12.504 -4.252 1.00 . A A . 11 ALA CB 1 1 7 5203 1 1 11 ALA H H -9.030 11.171 -4.023 1.00 . A A . 11 ALA H 1 1 7 5204 1 1 11 ALA HA H -7.119 12.487 -2.205 1.00 . A A . 11 ALA HA 1 1 7 5205 1 1 11 ALA HB1 H -6.393 13.520 -4.581 1.00 . A A . 11 ALA HB1 1 1 7 5206 1 1 11 ALA HB2 H -6.901 11.909 -5.087 1.00 . A A . 11 ALA HB2 1 1 7 5207 1 1 11 ALA HB3 H -5.643 12.093 -3.864 1.00 . A A . 11 ALA HB3 1 1 7 5208 1 1 11 ALA N N -8.433 11.287 -3.254 1.00 . A A . 11 ALA N 1 1 7 5209 1 1 11 ALA O O -9.228 13.939 -4.212 1.00 . A A . 11 ALA O 1 1 7 5210 1 1 12 GLY C C -8.836 16.675 -0.997 1.00 . A A . 12 GLY C 1 1 7 5211 1 1 12 GLY CA C -9.142 15.833 -2.216 1.00 . A A . 12 GLY CA 1 1 7 5212 1 1 12 GLY H H -7.760 14.400 -1.504 1.00 . A A . 12 GLY H 1 1 7 5213 1 1 12 GLY HA2 H -8.908 16.408 -3.100 1.00 . A A . 12 GLY HA2 1 1 7 5214 1 1 12 GLY HA3 H -10.194 15.591 -2.220 1.00 . A A . 12 GLY HA3 1 1 7 5215 1 1 12 GLY N N -8.373 14.605 -2.240 1.00 . A A . 12 GLY N 1 1 7 5216 1 1 12 GLY O O -9.486 16.544 0.040 1.00 . A A . 12 GLY O 1 1 7 5217 1 1 13 ALA C C -7.077 17.604 1.216 1.00 . A A . 13 ALA C 1 1 7 5218 1 1 13 ALA CA C -7.434 18.412 -0.029 1.00 . A A . 13 ALA CA 1 1 7 5219 1 1 13 ALA CB C -8.540 19.410 0.282 1.00 . A A . 13 ALA CB 1 1 7 5220 1 1 13 ALA H H -7.360 17.591 -1.978 1.00 . A A . 13 ALA H 1 1 7 5221 1 1 13 ALA HA H -6.563 18.965 -0.348 1.00 . A A . 13 ALA HA 1 1 7 5222 1 1 13 ALA HB1 H -8.102 20.352 0.577 1.00 . A A . 13 ALA HB1 1 1 7 5223 1 1 13 ALA HB2 H -9.153 19.030 1.087 1.00 . A A . 13 ALA HB2 1 1 7 5224 1 1 13 ALA HB3 H -9.149 19.557 -0.598 1.00 . A A . 13 ALA HB3 1 1 7 5225 1 1 13 ALA N N -7.838 17.540 -1.125 1.00 . A A . 13 ALA N 1 1 7 5226 1 1 13 ALA O O -7.947 17.257 2.014 1.00 . A A . 13 ALA O 1 1 7 5227 1 1 14 CYS C C -3.797 16.735 2.687 1.00 . A A . 14 CYS C 1 1 7 5228 1 1 14 CYS CA C -5.302 16.552 2.520 1.00 . A A . 14 CYS CA 1 1 7 5229 1 1 14 CYS CB C -5.626 15.067 2.358 1.00 . A A . 14 CYS CB 1 1 7 5230 1 1 14 CYS H H -5.145 17.625 0.701 1.00 . A A . 14 CYS H 1 1 7 5231 1 1 14 CYS HA H -5.798 16.925 3.403 1.00 . A A . 14 CYS HA 1 1 7 5232 1 1 14 CYS HB2 H -5.539 14.799 1.317 1.00 . A A . 14 CYS HB2 1 1 7 5233 1 1 14 CYS HB3 H -4.917 14.493 2.933 1.00 . A A . 14 CYS HB3 1 1 7 5234 1 1 14 CYS N N -5.788 17.315 1.374 1.00 . A A . 14 CYS N 1 1 7 5235 1 1 14 CYS O O -3.136 17.327 1.834 1.00 . A A . 14 CYS O 1 1 7 5236 1 1 14 CYS SG S -7.297 14.594 2.913 1.00 . A A . 14 CYS SG 1 1 7 5237 1 1 15 ARG C C -1.375 15.241 5.022 1.00 . A A . 15 ARG C 1 1 7 5238 1 1 15 ARG CA C -1.837 16.343 4.074 1.00 . A A . 15 ARG CA 1 1 7 5239 1 1 15 ARG CB C -1.521 17.713 4.678 1.00 . A A . 15 ARG CB 1 1 7 5240 1 1 15 ARG CD C -1.754 18.692 6.986 1.00 . A A . 15 ARG CD 1 1 7 5241 1 1 15 ARG CG C -2.486 18.133 5.776 1.00 . A A . 15 ARG CG 1 1 7 5242 1 1 15 ARG CZ C -3.078 17.634 8.775 1.00 . A A . 15 ARG CZ 1 1 7 5243 1 1 15 ARG H H -3.841 15.773 4.440 1.00 . A A . 15 ARG H 1 1 7 5244 1 1 15 ARG HA H -1.307 16.243 3.139 1.00 . A A . 15 ARG HA 1 1 7 5245 1 1 15 ARG HB2 H -0.524 17.689 5.094 1.00 . A A . 15 ARG HB2 1 1 7 5246 1 1 15 ARG HB3 H -1.555 18.456 3.894 1.00 . A A . 15 ARG HB3 1 1 7 5247 1 1 15 ARG HD2 H -0.703 18.771 6.752 1.00 . A A . 15 ARG HD2 1 1 7 5248 1 1 15 ARG HD3 H -2.147 19.674 7.207 1.00 . A A . 15 ARG HD3 1 1 7 5249 1 1 15 ARG HE H -1.111 17.404 8.518 1.00 . A A . 15 ARG HE 1 1 7 5250 1 1 15 ARG HG2 H -3.149 18.891 5.388 1.00 . A A . 15 ARG HG2 1 1 7 5251 1 1 15 ARG HG3 H -3.063 17.271 6.081 1.00 . A A . 15 ARG HG3 1 1 7 5252 1 1 15 ARG HH11 H -4.148 18.807 7.523 1.00 . A A . 15 ARG HH11 1 1 7 5253 1 1 15 ARG HH12 H -5.056 18.050 8.788 1.00 . A A . 15 ARG HH12 1 1 7 5254 1 1 15 ARG HH21 H -2.304 16.407 10.183 1.00 . A A . 15 ARG HH21 1 1 7 5255 1 1 15 ARG HH22 H -4.010 16.688 10.299 1.00 . A A . 15 ARG HH22 1 1 7 5256 1 1 15 ARG N N -3.263 16.229 3.794 1.00 . A A . 15 ARG N 1 1 7 5257 1 1 15 ARG NE N -1.913 17.842 8.164 1.00 . A A . 15 ARG NE 1 1 7 5258 1 1 15 ARG NH1 N -4.185 18.211 8.325 1.00 . A A . 15 ARG NH1 1 1 7 5259 1 1 15 ARG NH2 N -3.135 16.845 9.840 1.00 . A A . 15 ARG NH2 1 1 7 5260 1 1 15 ARG O O -2.192 14.507 5.579 1.00 . A A . 15 ARG O 1 1 7 5261 1 1 16 ALA C C 0.601 12.767 5.408 1.00 . A A . 16 ALA C 1 1 7 5262 1 1 16 ALA CA C 0.527 14.131 6.086 1.00 . A A . 16 ALA CA 1 1 7 5263 1 1 16 ALA CB C -0.252 14.034 7.392 1.00 . A A . 16 ALA CB 1 1 7 5264 1 1 16 ALA H H 0.534 15.756 4.729 1.00 . A A . 16 ALA H 1 1 7 5265 1 1 16 ALA HA H 1.533 14.449 6.322 1.00 . A A . 16 ALA HA 1 1 7 5266 1 1 16 ALA HB1 H -0.828 13.121 7.403 1.00 . A A . 16 ALA HB1 1 1 7 5267 1 1 16 ALA HB2 H -0.919 14.880 7.477 1.00 . A A . 16 ALA HB2 1 1 7 5268 1 1 16 ALA HB3 H 0.438 14.035 8.224 1.00 . A A . 16 ALA HB3 1 1 7 5269 1 1 16 ALA N N -0.060 15.136 5.202 1.00 . A A . 16 ALA N 1 1 7 5270 1 1 16 ALA O O -0.327 11.963 5.503 1.00 . A A . 16 ALA O 1 1 7 5271 1 1 17 ALA C C 3.417 11.028 3.785 1.00 . A A . 17 ALA C 1 1 7 5272 1 1 17 ALA CA C 1.935 11.252 4.059 1.00 . A A . 17 ALA CA 1 1 7 5273 1 1 17 ALA CB C 1.131 11.184 2.769 1.00 . A A . 17 ALA CB 1 1 7 5274 1 1 17 ALA H H 2.420 13.175 4.714 1.00 . A A . 17 ALA H 1 1 7 5275 1 1 17 ALA HA H 1.585 10.485 4.713 1.00 . A A . 17 ALA HA 1 1 7 5276 1 1 17 ALA HB1 H 0.125 11.525 2.953 1.00 . A A . 17 ALA HB1 1 1 7 5277 1 1 17 ALA HB2 H 1.106 10.164 2.415 1.00 . A A . 17 ALA HB2 1 1 7 5278 1 1 17 ALA HB3 H 1.595 11.812 2.023 1.00 . A A . 17 ALA HB3 1 1 7 5279 1 1 17 ALA N N 1.719 12.510 4.737 1.00 . A A . 17 ALA N 1 1 7 5280 1 1 17 ALA O O 3.851 10.996 2.633 1.00 . A A . 17 ALA O 1 1 7 5281 1 1 18 ALA C C 5.937 9.282 4.200 1.00 . A A . 18 ALA C 1 1 7 5282 1 1 18 ALA CA C 5.628 10.676 4.737 1.00 . A A . 18 ALA CA 1 1 7 5283 1 1 18 ALA CB C 6.305 10.887 6.083 1.00 . A A . 18 ALA CB 1 1 7 5284 1 1 18 ALA H H 3.787 10.936 5.747 1.00 . A A . 18 ALA H 1 1 7 5285 1 1 18 ALA HA H 6.018 11.410 4.046 1.00 . A A . 18 ALA HA 1 1 7 5286 1 1 18 ALA HB1 H 7.340 11.154 5.928 1.00 . A A . 18 ALA HB1 1 1 7 5287 1 1 18 ALA HB2 H 6.251 9.976 6.660 1.00 . A A . 18 ALA HB2 1 1 7 5288 1 1 18 ALA HB3 H 5.804 11.682 6.617 1.00 . A A . 18 ALA HB3 1 1 7 5289 1 1 18 ALA N N 4.191 10.889 4.855 1.00 . A A . 18 ALA N 1 1 7 5290 1 1 18 ALA O O 6.224 8.360 4.964 1.00 . A A . 18 ALA O 1 1 7 5291 1 1 19 ALA C C 5.250 6.752 2.770 1.00 . A A . 19 ALA C 1 1 7 5292 1 1 19 ALA CA C 6.160 7.856 2.237 1.00 . A A . 19 ALA CA 1 1 7 5293 1 1 19 ALA CB C 7.622 7.479 2.438 1.00 . A A . 19 ALA CB 1 1 7 5294 1 1 19 ALA H H 5.651 9.910 2.323 1.00 . A A . 19 ALA H 1 1 7 5295 1 1 19 ALA HA H 5.987 7.971 1.176 1.00 . A A . 19 ALA HA 1 1 7 5296 1 1 19 ALA HB1 H 8.191 7.773 1.569 1.00 . A A . 19 ALA HB1 1 1 7 5297 1 1 19 ALA HB2 H 7.703 6.411 2.576 1.00 . A A . 19 ALA HB2 1 1 7 5298 1 1 19 ALA HB3 H 8.008 7.986 3.310 1.00 . A A . 19 ALA HB3 1 1 7 5299 1 1 19 ALA N N 5.882 9.136 2.880 1.00 . A A . 19 ALA N 1 1 7 5300 1 1 19 ALA O O 5.580 6.087 3.753 1.00 . A A . 19 ALA O 1 1 7 5301 1 1 20 ARG C C 2.644 4.772 1.262 1.00 . A A . 20 ARG C 1 1 7 5302 1 1 20 ARG CA C 3.168 5.506 2.493 1.00 . A A . 20 ARG CA 1 1 7 5303 1 1 20 ARG CB C 1.992 6.087 3.284 1.00 . A A . 20 ARG CB 1 1 7 5304 1 1 20 ARG CD C 1.539 6.709 5.672 1.00 . A A . 20 ARG CD 1 1 7 5305 1 1 20 ARG CG C 2.408 6.960 4.453 1.00 . A A . 20 ARG CG 1 1 7 5306 1 1 20 ARG CZ C 2.398 7.042 7.963 1.00 . A A . 20 ARG CZ 1 1 7 5307 1 1 20 ARG H H 3.919 7.102 1.317 1.00 . A A . 20 ARG H 1 1 7 5308 1 1 20 ARG HA H 3.695 4.799 3.117 1.00 . A A . 20 ARG HA 1 1 7 5309 1 1 20 ARG HB2 H 1.379 6.680 2.618 1.00 . A A . 20 ARG HB2 1 1 7 5310 1 1 20 ARG HB3 H 1.403 5.266 3.675 1.00 . A A . 20 ARG HB3 1 1 7 5311 1 1 20 ARG HD2 H 0.983 7.605 5.894 1.00 . A A . 20 ARG HD2 1 1 7 5312 1 1 20 ARG HD3 H 0.853 5.903 5.452 1.00 . A A . 20 ARG HD3 1 1 7 5313 1 1 20 ARG HE H 2.880 5.527 6.757 1.00 . A A . 20 ARG HE 1 1 7 5314 1 1 20 ARG HG2 H 3.433 6.735 4.705 1.00 . A A . 20 ARG HG2 1 1 7 5315 1 1 20 ARG HG3 H 2.320 7.997 4.166 1.00 . A A . 20 ARG HG3 1 1 7 5316 1 1 20 ARG HH11 H 1.087 8.466 7.372 1.00 . A A . 20 ARG HH11 1 1 7 5317 1 1 20 ARG HH12 H 1.728 8.664 8.966 1.00 . A A . 20 ARG HH12 1 1 7 5318 1 1 20 ARG HH21 H 3.721 5.800 8.852 1.00 . A A . 20 ARG HH21 1 1 7 5319 1 1 20 ARG HH22 H 3.221 7.157 9.805 1.00 . A A . 20 ARG HH22 1 1 7 5320 1 1 20 ARG N N 4.116 6.548 2.101 1.00 . A A . 20 ARG N 1 1 7 5321 1 1 20 ARG NE N 2.342 6.340 6.831 1.00 . A A . 20 ARG NE 1 1 7 5322 1 1 20 ARG NH1 N 1.678 8.148 8.112 1.00 . A A . 20 ARG NH1 1 1 7 5323 1 1 20 ARG NH2 N 3.177 6.633 8.955 1.00 . A A . 20 ARG NH2 1 1 7 5324 1 1 20 ARG O O 2.834 5.221 0.131 1.00 . A A . 20 ARG O 1 1 7 5325 1 1 21 TYR C C 0.056 2.338 0.672 1.00 . A A . 21 TYR C 1 1 7 5326 1 1 21 TYR CA C 1.467 2.842 0.378 1.00 . A A . 21 TYR CA 1 1 7 5327 1 1 21 TYR CB C 2.380 1.648 0.096 1.00 . A A . 21 TYR CB 1 1 7 5328 1 1 21 TYR CD1 C 4.644 2.767 0.020 1.00 . A A . 21 TYR CD1 1 1 7 5329 1 1 21 TYR CD2 C 3.912 1.575 -1.906 1.00 . A A . 21 TYR CD2 1 1 7 5330 1 1 21 TYR CE1 C 5.826 3.084 -0.621 1.00 . A A . 21 TYR CE1 1 1 7 5331 1 1 21 TYR CE2 C 5.089 1.888 -2.554 1.00 . A A . 21 TYR CE2 1 1 7 5332 1 1 21 TYR CG C 3.668 2.008 -0.611 1.00 . A A . 21 TYR CG 1 1 7 5333 1 1 21 TYR CZ C 6.043 2.641 -1.908 1.00 . A A . 21 TYR CZ 1 1 7 5334 1 1 21 TYR H H 1.885 3.313 2.400 1.00 . A A . 21 TYR H 1 1 7 5335 1 1 21 TYR HA H 1.437 3.472 -0.495 1.00 . A A . 21 TYR HA 1 1 7 5336 1 1 21 TYR HB2 H 2.639 1.175 1.031 1.00 . A A . 21 TYR HB2 1 1 7 5337 1 1 21 TYR HB3 H 1.850 0.938 -0.523 1.00 . A A . 21 TYR HB3 1 1 7 5338 1 1 21 TYR HD1 H 4.471 3.113 1.027 1.00 . A A . 21 TYR HD1 1 1 7 5339 1 1 21 TYR HD2 H 3.161 0.983 -2.412 1.00 . A A . 21 TYR HD2 1 1 7 5340 1 1 21 TYR HE1 H 6.574 3.675 -0.114 1.00 . A A . 21 TYR HE1 1 1 7 5341 1 1 21 TYR HE2 H 5.259 1.540 -3.562 1.00 . A A . 21 TYR HE2 1 1 7 5342 1 1 21 TYR HH H 7.498 2.208 -3.088 1.00 . A A . 21 TYR HH 1 1 7 5343 1 1 21 TYR N N 1.999 3.633 1.481 1.00 . A A . 21 TYR N 1 1 7 5344 1 1 21 TYR O O -0.395 2.352 1.816 1.00 . A A . 21 TYR O 1 1 7 5345 1 1 21 TYR OH O 7.219 2.953 -2.551 1.00 . A A . 21 TYR OH 1 1 7 5346 1 1 22 PHE C C -2.138 0.172 -1.239 1.00 . A A . 22 PHE C 1 1 7 5347 1 1 22 PHE CA C -1.973 1.323 -0.264 1.00 . A A . 22 PHE CA 1 1 7 5348 1 1 22 PHE CB C -3.034 2.385 -0.537 1.00 . A A . 22 PHE CB 1 1 7 5349 1 1 22 PHE CD1 C -1.894 4.240 -1.785 1.00 . A A . 22 PHE CD1 1 1 7 5350 1 1 22 PHE CD2 C -3.472 2.893 -2.955 1.00 . A A . 22 PHE CD2 1 1 7 5351 1 1 22 PHE CE1 C -1.673 4.979 -2.930 1.00 . A A . 22 PHE CE1 1 1 7 5352 1 1 22 PHE CE2 C -3.255 3.629 -4.104 1.00 . A A . 22 PHE CE2 1 1 7 5353 1 1 22 PHE CG C -2.795 3.189 -1.784 1.00 . A A . 22 PHE CG 1 1 7 5354 1 1 22 PHE CZ C -2.355 4.675 -4.090 1.00 . A A . 22 PHE CZ 1 1 7 5355 1 1 22 PHE H H -0.186 1.877 -1.256 1.00 . A A . 22 PHE H 1 1 7 5356 1 1 22 PHE HA H -2.103 0.942 0.741 1.00 . A A . 22 PHE HA 1 1 7 5357 1 1 22 PHE HB2 H -3.990 1.900 -0.639 1.00 . A A . 22 PHE HB2 1 1 7 5358 1 1 22 PHE HB3 H -3.073 3.061 0.297 1.00 . A A . 22 PHE HB3 1 1 7 5359 1 1 22 PHE HD1 H -1.360 4.480 -0.877 1.00 . A A . 22 PHE HD1 1 1 7 5360 1 1 22 PHE HD2 H -4.178 2.074 -2.967 1.00 . A A . 22 PHE HD2 1 1 7 5361 1 1 22 PHE HE1 H -0.970 5.797 -2.916 1.00 . A A . 22 PHE HE1 1 1 7 5362 1 1 22 PHE HE2 H -3.791 3.388 -5.011 1.00 . A A . 22 PHE HE2 1 1 7 5363 1 1 22 PHE HZ H -2.183 5.252 -4.987 1.00 . A A . 22 PHE HZ 1 1 7 5364 1 1 22 PHE N N -0.620 1.871 -0.377 1.00 . A A . 22 PHE N 1 1 7 5365 1 1 22 PHE O O -1.458 0.115 -2.257 1.00 . A A . 22 PHE O 1 1 7 5366 1 1 23 TYR C C -4.214 -1.613 -2.912 1.00 . A A . 23 TYR C 1 1 7 5367 1 1 23 TYR CA C -3.236 -1.919 -1.785 1.00 . A A . 23 TYR CA 1 1 7 5368 1 1 23 TYR CB C -3.731 -3.122 -0.985 1.00 . A A . 23 TYR CB 1 1 7 5369 1 1 23 TYR CD1 C -2.764 -5.107 -2.209 1.00 . A A . 23 TYR CD1 1 1 7 5370 1 1 23 TYR CD2 C -5.124 -4.796 -2.261 1.00 . A A . 23 TYR CD2 1 1 7 5371 1 1 23 TYR CE1 C -2.892 -6.238 -2.991 1.00 . A A . 23 TYR CE1 1 1 7 5372 1 1 23 TYR CE2 C -5.261 -5.928 -3.040 1.00 . A A . 23 TYR CE2 1 1 7 5373 1 1 23 TYR CG C -3.877 -4.368 -1.830 1.00 . A A . 23 TYR CG 1 1 7 5374 1 1 23 TYR CZ C -4.142 -6.645 -3.403 1.00 . A A . 23 TYR CZ 1 1 7 5375 1 1 23 TYR H H -3.540 -0.664 -0.087 1.00 . A A . 23 TYR H 1 1 7 5376 1 1 23 TYR HA H -2.275 -2.177 -2.224 1.00 . A A . 23 TYR HA 1 1 7 5377 1 1 23 TYR HB2 H -3.023 -3.339 -0.197 1.00 . A A . 23 TYR HB2 1 1 7 5378 1 1 23 TYR HB3 H -4.697 -2.892 -0.555 1.00 . A A . 23 TYR HB3 1 1 7 5379 1 1 23 TYR HD1 H -1.786 -4.788 -1.882 1.00 . A A . 23 TYR HD1 1 1 7 5380 1 1 23 TYR HD2 H -5.998 -4.231 -1.976 1.00 . A A . 23 TYR HD2 1 1 7 5381 1 1 23 TYR HE1 H -2.014 -6.800 -3.275 1.00 . A A . 23 TYR HE1 1 1 7 5382 1 1 23 TYR HE2 H -6.241 -6.246 -3.361 1.00 . A A . 23 TYR HE2 1 1 7 5383 1 1 23 TYR HH H -4.950 -7.624 -4.848 1.00 . A A . 23 TYR HH 1 1 7 5384 1 1 23 TYR N N -3.026 -0.757 -0.920 1.00 . A A . 23 TYR N 1 1 7 5385 1 1 23 TYR O O -5.231 -0.951 -2.710 1.00 . A A . 23 TYR O 1 1 7 5386 1 1 23 TYR OH O -4.274 -7.771 -4.182 1.00 . A A . 23 TYR OH 1 1 7 5387 1 1 24 ASN C C -5.295 -3.276 -5.739 1.00 . A A . 24 ASN C 1 1 7 5388 1 1 24 ASN CA C -4.740 -1.934 -5.271 1.00 . A A . 24 ASN CA 1 1 7 5389 1 1 24 ASN CB C -3.928 -1.273 -6.390 1.00 . A A . 24 ASN CB 1 1 7 5390 1 1 24 ASN CG C -4.718 -1.100 -7.669 1.00 . A A . 24 ASN CG 1 1 7 5391 1 1 24 ASN H H -3.081 -2.656 -4.178 1.00 . A A . 24 ASN H 1 1 7 5392 1 1 24 ASN HA H -5.563 -1.287 -5.000 1.00 . A A . 24 ASN HA 1 1 7 5393 1 1 24 ASN HB2 H -3.601 -0.296 -6.060 1.00 . A A . 24 ASN HB2 1 1 7 5394 1 1 24 ASN HB3 H -3.063 -1.883 -6.608 1.00 . A A . 24 ASN HB3 1 1 7 5395 1 1 24 ASN HD21 H -3.669 0.530 -8.106 1.00 . A A . 24 ASN HD21 1 1 7 5396 1 1 24 ASN HD22 H -4.882 0.074 -9.257 1.00 . A A . 24 ASN HD22 1 1 7 5397 1 1 24 ASN N N -3.900 -2.124 -4.096 1.00 . A A . 24 ASN N 1 1 7 5398 1 1 24 ASN ND2 N -4.392 -0.060 -8.420 1.00 . A A . 24 ASN ND2 1 1 7 5399 1 1 24 ASN O O -4.679 -3.958 -6.554 1.00 . A A . 24 ASN O 1 1 7 5400 1 1 24 ASN OD1 O -5.604 -1.895 -7.982 1.00 . A A . 24 ASN OD1 1 1 7 5401 1 1 25 ALA C C -7.208 -5.065 -7.100 1.00 . A A . 25 ALA C 1 1 7 5402 1 1 25 ALA CA C -7.088 -4.920 -5.587 1.00 . A A . 25 ALA CA 1 1 7 5403 1 1 25 ALA CB C -8.458 -5.039 -4.932 1.00 . A A . 25 ALA CB 1 1 7 5404 1 1 25 ALA H H -6.909 -3.066 -4.575 1.00 . A A . 25 ALA H 1 1 7 5405 1 1 25 ALA HA H -6.465 -5.717 -5.209 1.00 . A A . 25 ALA HA 1 1 7 5406 1 1 25 ALA HB1 H -8.574 -6.030 -4.520 1.00 . A A . 25 ALA HB1 1 1 7 5407 1 1 25 ALA HB2 H -9.227 -4.864 -5.669 1.00 . A A . 25 ALA HB2 1 1 7 5408 1 1 25 ALA HB3 H -8.545 -4.308 -4.141 1.00 . A A . 25 ALA HB3 1 1 7 5409 1 1 25 ALA N N -6.462 -3.651 -5.222 1.00 . A A . 25 ALA N 1 1 7 5410 1 1 25 ALA O O -7.192 -6.176 -7.630 1.00 . A A . 25 ALA O 1 1 7 5411 1 1 26 LYS C C -6.072 -4.146 -9.920 1.00 . A A . 26 LYS C 1 1 7 5412 1 1 26 LYS CA C -7.432 -3.939 -9.247 1.00 . A A . 26 LYS CA 1 1 7 5413 1 1 26 LYS CB C -8.058 -2.625 -9.725 1.00 . A A . 26 LYS CB 1 1 7 5414 1 1 26 LYS CD C -9.223 -2.633 -11.955 1.00 . A A . 26 LYS CD 1 1 7 5415 1 1 26 LYS CE C -9.263 -1.164 -12.347 1.00 . A A . 26 LYS CE 1 1 7 5416 1 1 26 LYS CG C -9.381 -2.814 -10.453 1.00 . A A . 26 LYS CG 1 1 7 5417 1 1 26 LYS H H -7.316 -3.082 -7.314 1.00 . A A . 26 LYS H 1 1 7 5418 1 1 26 LYS HA H -8.084 -4.755 -9.524 1.00 . A A . 26 LYS HA 1 1 7 5419 1 1 26 LYS HB2 H -8.232 -1.990 -8.870 1.00 . A A . 26 LYS HB2 1 1 7 5420 1 1 26 LYS HB3 H -7.370 -2.132 -10.395 1.00 . A A . 26 LYS HB3 1 1 7 5421 1 1 26 LYS HD2 H -8.275 -3.051 -12.261 1.00 . A A . 26 LYS HD2 1 1 7 5422 1 1 26 LYS HD3 H -10.025 -3.153 -12.457 1.00 . A A . 26 LYS HD3 1 1 7 5423 1 1 26 LYS HE2 H -9.872 -1.058 -13.233 1.00 . A A . 26 LYS HE2 1 1 7 5424 1 1 26 LYS HE3 H -9.703 -0.600 -11.539 1.00 . A A . 26 LYS HE3 1 1 7 5425 1 1 26 LYS HG2 H -9.750 -3.809 -10.258 1.00 . A A . 26 LYS HG2 1 1 7 5426 1 1 26 LYS HG3 H -10.089 -2.087 -10.085 1.00 . A A . 26 LYS HG3 1 1 7 5427 1 1 26 LYS HZ1 H -7.525 -0.152 -11.786 1.00 . A A . 26 LYS HZ1 1 1 7 5428 1 1 26 LYS HZ2 H -7.944 0.057 -13.411 1.00 . A A . 26 LYS HZ2 1 1 7 5429 1 1 26 LYS HZ3 H -7.261 -1.402 -12.896 1.00 . A A . 26 LYS HZ3 1 1 7 5430 1 1 26 LYS N N -7.317 -3.937 -7.792 1.00 . A A . 26 LYS N 1 1 7 5431 1 1 26 LYS NZ N -7.903 -0.628 -12.630 1.00 . A A . 26 LYS NZ 1 1 7 5432 1 1 26 LYS O O -5.987 -4.199 -11.147 1.00 . A A . 26 LYS O 1 1 7 5433 1 1 27 ALA C C -2.838 -5.442 -8.854 1.00 . A A . 27 ALA C 1 1 7 5434 1 1 27 ALA CA C -3.666 -4.442 -9.668 1.00 . A A . 27 ALA CA 1 1 7 5435 1 1 27 ALA CB C -2.942 -3.108 -9.745 1.00 . A A . 27 ALA CB 1 1 7 5436 1 1 27 ALA H H -5.129 -4.188 -8.150 1.00 . A A . 27 ALA H 1 1 7 5437 1 1 27 ALA HA H -3.772 -4.819 -10.674 1.00 . A A . 27 ALA HA 1 1 7 5438 1 1 27 ALA HB1 H -3.471 -2.448 -10.417 1.00 . A A . 27 ALA HB1 1 1 7 5439 1 1 27 ALA HB2 H -1.937 -3.264 -10.112 1.00 . A A . 27 ALA HB2 1 1 7 5440 1 1 27 ALA HB3 H -2.901 -2.662 -8.763 1.00 . A A . 27 ALA HB3 1 1 7 5441 1 1 27 ALA N N -5.010 -4.252 -9.120 1.00 . A A . 27 ALA N 1 1 7 5442 1 1 27 ALA O O -1.710 -5.764 -9.226 1.00 . A A . 27 ALA O 1 1 7 5443 1 1 28 GLY C C -1.474 -6.363 -6.222 1.00 . A A . 28 GLY C 1 1 7 5444 1 1 28 GLY CA C -2.702 -6.909 -6.934 1.00 . A A . 28 GLY CA 1 1 7 5445 1 1 28 GLY H H -4.296 -5.675 -7.508 1.00 . A A . 28 GLY H 1 1 7 5446 1 1 28 GLY HA2 H -3.388 -7.292 -6.193 1.00 . A A . 28 GLY HA2 1 1 7 5447 1 1 28 GLY HA3 H -2.402 -7.713 -7.569 1.00 . A A . 28 GLY HA3 1 1 7 5448 1 1 28 GLY N N -3.399 -5.945 -7.755 1.00 . A A . 28 GLY N 1 1 7 5449 1 1 28 GLY O O -0.839 -7.077 -5.447 1.00 . A A . 28 GLY O 1 1 7 5450 1 1 29 LEU C C -0.329 -3.196 -5.143 1.00 . A A . 29 LEU C 1 1 7 5451 1 1 29 LEU CA C 0.038 -4.497 -5.854 1.00 . A A . 29 LEU CA 1 1 7 5452 1 1 29 LEU CB C 1.124 -4.236 -6.901 1.00 . A A . 29 LEU CB 1 1 7 5453 1 1 29 LEU CD1 C 2.333 -6.178 -7.933 1.00 . A A . 29 LEU CD1 1 1 7 5454 1 1 29 LEU CD2 C 3.632 -4.342 -6.839 1.00 . A A . 29 LEU CD2 1 1 7 5455 1 1 29 LEU CG C 2.346 -5.155 -6.808 1.00 . A A . 29 LEU CG 1 1 7 5456 1 1 29 LEU H H -1.666 -4.589 -7.108 1.00 . A A . 29 LEU H 1 1 7 5457 1 1 29 LEU HA H 0.420 -5.193 -5.124 1.00 . A A . 29 LEU HA 1 1 7 5458 1 1 29 LEU HB2 H 0.684 -4.353 -7.881 1.00 . A A . 29 LEU HB2 1 1 7 5459 1 1 29 LEU HB3 H 1.461 -3.215 -6.797 1.00 . A A . 29 LEU HB3 1 1 7 5460 1 1 29 LEU HD11 H 1.717 -7.018 -7.651 1.00 . A A . 29 LEU HD11 1 1 7 5461 1 1 29 LEU HD12 H 3.342 -6.518 -8.122 1.00 . A A . 29 LEU HD12 1 1 7 5462 1 1 29 LEU HD13 H 1.934 -5.724 -8.829 1.00 . A A . 29 LEU HD13 1 1 7 5463 1 1 29 LEU HD21 H 3.863 -3.996 -5.843 1.00 . A A . 29 LEU HD21 1 1 7 5464 1 1 29 LEU HD22 H 3.504 -3.493 -7.495 1.00 . A A . 29 LEU HD22 1 1 7 5465 1 1 29 LEU HD23 H 4.440 -4.959 -7.202 1.00 . A A . 29 LEU HD23 1 1 7 5466 1 1 29 LEU HG H 2.312 -5.692 -5.871 1.00 . A A . 29 LEU HG 1 1 7 5467 1 1 29 LEU N N -1.130 -5.109 -6.481 1.00 . A A . 29 LEU N 1 1 7 5468 1 1 29 LEU O O -1.457 -2.713 -5.252 1.00 . A A . 29 LEU O 1 1 7 5469 1 1 30 CYS C C 0.977 -0.192 -4.433 1.00 . A A . 30 CYS C 1 1 7 5470 1 1 30 CYS CA C 0.404 -1.389 -3.685 1.00 . A A . 30 CYS CA 1 1 7 5471 1 1 30 CYS CB C 1.014 -1.449 -2.281 1.00 . A A . 30 CYS CB 1 1 7 5472 1 1 30 CYS H H 1.511 -3.064 -4.362 1.00 . A A . 30 CYS H 1 1 7 5473 1 1 30 CYS HA H -0.660 -1.259 -3.596 1.00 . A A . 30 CYS HA 1 1 7 5474 1 1 30 CYS HB2 H 2.040 -1.117 -2.332 1.00 . A A . 30 CYS HB2 1 1 7 5475 1 1 30 CYS HB3 H 0.462 -0.783 -1.636 1.00 . A A . 30 CYS HB3 1 1 7 5476 1 1 30 CYS N N 0.632 -2.632 -4.412 1.00 . A A . 30 CYS N 1 1 7 5477 1 1 30 CYS O O 1.705 -0.345 -5.416 1.00 . A A . 30 CYS O 1 1 7 5478 1 1 30 CYS SG S 0.998 -3.106 -1.512 1.00 . A A . 30 CYS SG 1 1 7 5479 1 1 31 GLN C C 1.295 3.342 -3.518 1.00 . A A . 31 GLN C 1 1 7 5480 1 1 31 GLN CA C 1.111 2.239 -4.563 1.00 . A A . 31 GLN CA 1 1 7 5481 1 1 31 GLN CB C 0.131 2.701 -5.645 1.00 . A A . 31 GLN CB 1 1 7 5482 1 1 31 GLN CD C 0.090 4.626 -7.284 1.00 . A A . 31 GLN CD 1 1 7 5483 1 1 31 GLN CG C 0.803 3.365 -6.836 1.00 . A A . 31 GLN CG 1 1 7 5484 1 1 31 GLN H H 0.066 1.043 -3.162 1.00 . A A . 31 GLN H 1 1 7 5485 1 1 31 GLN HA H 2.064 2.035 -5.024 1.00 . A A . 31 GLN HA 1 1 7 5486 1 1 31 GLN HB2 H -0.421 1.846 -6.004 1.00 . A A . 31 GLN HB2 1 1 7 5487 1 1 31 GLN HB3 H -0.561 3.407 -5.210 1.00 . A A . 31 GLN HB3 1 1 7 5488 1 1 31 GLN HE21 H 1.806 5.394 -7.930 1.00 . A A . 31 GLN HE21 1 1 7 5489 1 1 31 GLN HE22 H 0.411 6.391 -8.141 1.00 . A A . 31 GLN HE22 1 1 7 5490 1 1 31 GLN HG2 H 1.817 3.620 -6.565 1.00 . A A . 31 GLN HG2 1 1 7 5491 1 1 31 GLN HG3 H 0.816 2.665 -7.659 1.00 . A A . 31 GLN HG3 1 1 7 5492 1 1 31 GLN N N 0.641 0.999 -3.953 1.00 . A A . 31 GLN N 1 1 7 5493 1 1 31 GLN NE2 N 0.845 5.566 -7.841 1.00 . A A . 31 GLN NE2 1 1 7 5494 1 1 31 GLN O O 0.604 3.364 -2.500 1.00 . A A . 31 GLN O 1 1 7 5495 1 1 31 GLN OE1 O -1.125 4.755 -7.132 1.00 . A A . 31 GLN OE1 1 1 7 5496 1 1 32 THR C C 1.373 6.427 -2.948 1.00 . A A . 32 THR C 1 1 7 5497 1 1 32 THR CA C 2.483 5.381 -2.882 1.00 . A A . 32 THR CA 1 1 7 5498 1 1 32 THR CB C 3.830 6.032 -3.219 1.00 . A A . 32 THR CB 1 1 7 5499 1 1 32 THR CG2 C 3.752 7.044 -4.345 1.00 . A A . 32 THR CG2 1 1 7 5500 1 1 32 THR H H 2.728 4.195 -4.623 1.00 . A A . 32 THR H 1 1 7 5501 1 1 32 THR HA H 2.521 4.996 -1.878 1.00 . A A . 32 THR HA 1 1 7 5502 1 1 32 THR HB H 4.525 5.261 -3.519 1.00 . A A . 32 THR HB 1 1 7 5503 1 1 32 THR HG1 H 4.366 6.095 -1.336 1.00 . A A . 32 THR HG1 1 1 7 5504 1 1 32 THR HG21 H 3.348 6.571 -5.227 1.00 . A A . 32 THR HG21 1 1 7 5505 1 1 32 THR HG22 H 4.741 7.421 -4.559 1.00 . A A . 32 THR HG22 1 1 7 5506 1 1 32 THR HG23 H 3.110 7.863 -4.049 1.00 . A A . 32 THR HG23 1 1 7 5507 1 1 32 THR N N 2.218 4.262 -3.788 1.00 . A A . 32 THR N 1 1 7 5508 1 1 32 THR O O 0.784 6.660 -4.003 1.00 . A A . 32 THR O 1 1 7 5509 1 1 32 THR OG1 O 4.364 6.694 -2.086 1.00 . A A . 32 THR OG1 1 1 7 5510 1 1 33 PHE C C 0.578 9.396 -2.402 1.00 . A A . 33 PHE C 1 1 7 5511 1 1 33 PHE CA C 0.090 8.111 -1.737 1.00 . A A . 33 PHE CA 1 1 7 5512 1 1 33 PHE CB C -0.266 8.404 -0.275 1.00 . A A . 33 PHE CB 1 1 7 5513 1 1 33 PHE CD1 C -2.676 7.864 0.163 1.00 . A A . 33 PHE CD1 1 1 7 5514 1 1 33 PHE CD2 C -1.016 6.317 0.890 1.00 . A A . 33 PHE CD2 1 1 7 5515 1 1 33 PHE CE1 C -3.667 7.040 0.661 1.00 . A A . 33 PHE CE1 1 1 7 5516 1 1 33 PHE CE2 C -2.001 5.489 1.390 1.00 . A A . 33 PHE CE2 1 1 7 5517 1 1 33 PHE CG C -1.341 7.512 0.272 1.00 . A A . 33 PHE CG 1 1 7 5518 1 1 33 PHE CZ C -3.328 5.851 1.275 1.00 . A A . 33 PHE CZ 1 1 7 5519 1 1 33 PHE H H 1.633 6.854 -1.012 1.00 . A A . 33 PHE H 1 1 7 5520 1 1 33 PHE HA H -0.796 7.752 -2.250 1.00 . A A . 33 PHE HA 1 1 7 5521 1 1 33 PHE HB2 H 0.616 8.273 0.336 1.00 . A A . 33 PHE HB2 1 1 7 5522 1 1 33 PHE HB3 H -0.606 9.425 -0.193 1.00 . A A . 33 PHE HB3 1 1 7 5523 1 1 33 PHE HD1 H -2.942 8.794 -0.318 1.00 . A A . 33 PHE HD1 1 1 7 5524 1 1 33 PHE HD2 H 0.022 6.034 0.982 1.00 . A A . 33 PHE HD2 1 1 7 5525 1 1 33 PHE HE1 H -4.704 7.326 0.570 1.00 . A A . 33 PHE HE1 1 1 7 5526 1 1 33 PHE HE2 H -1.733 4.560 1.869 1.00 . A A . 33 PHE HE2 1 1 7 5527 1 1 33 PHE HZ H -4.100 5.205 1.666 1.00 . A A . 33 PHE HZ 1 1 7 5528 1 1 33 PHE N N 1.115 7.072 -1.814 1.00 . A A . 33 PHE N 1 1 7 5529 1 1 33 PHE O O 1.681 9.865 -2.122 1.00 . A A . 33 PHE O 1 1 7 5530 1 1 34 ALA C C 0.057 12.378 -2.977 1.00 . A A . 34 ALA C 1 1 7 5531 1 1 34 ALA CA C 0.114 11.206 -3.950 1.00 . A A . 34 ALA CA 1 1 7 5532 1 1 34 ALA CB C -0.811 11.452 -5.134 1.00 . A A . 34 ALA CB 1 1 7 5533 1 1 34 ALA H H -1.118 9.558 -3.450 1.00 . A A . 34 ALA H 1 1 7 5534 1 1 34 ALA HA H 1.123 11.104 -4.322 1.00 . A A . 34 ALA HA 1 1 7 5535 1 1 34 ALA HB1 H -0.542 10.791 -5.944 1.00 . A A . 34 ALA HB1 1 1 7 5536 1 1 34 ALA HB2 H -0.714 12.477 -5.459 1.00 . A A . 34 ALA HB2 1 1 7 5537 1 1 34 ALA HB3 H -1.832 11.262 -4.838 1.00 . A A . 34 ALA HB3 1 1 7 5538 1 1 34 ALA N N -0.247 9.969 -3.270 1.00 . A A . 34 ALA N 1 1 7 5539 1 1 34 ALA O O -0.626 12.307 -1.956 1.00 . A A . 34 ALA O 1 1 7 5540 1 1 35 TYR C C -0.566 15.314 -2.404 1.00 . A A . 35 TYR C 1 1 7 5541 1 1 35 TYR CA C 0.800 14.639 -2.436 1.00 . A A . 35 TYR CA 1 1 7 5542 1 1 35 TYR CB C 1.865 15.626 -2.919 1.00 . A A . 35 TYR CB 1 1 7 5543 1 1 35 TYR CD1 C 1.909 17.484 -1.211 1.00 . A A . 35 TYR CD1 1 1 7 5544 1 1 35 TYR CD2 C 3.779 16.010 -1.320 1.00 . A A . 35 TYR CD2 1 1 7 5545 1 1 35 TYR CE1 C 2.514 18.180 -0.181 1.00 . A A . 35 TYR CE1 1 1 7 5546 1 1 35 TYR CE2 C 4.387 16.700 -0.289 1.00 . A A . 35 TYR CE2 1 1 7 5547 1 1 35 TYR CG C 2.532 16.390 -1.798 1.00 . A A . 35 TYR CG 1 1 7 5548 1 1 35 TYR CZ C 3.751 17.783 0.277 1.00 . A A . 35 TYR CZ 1 1 7 5549 1 1 35 TYR H H 1.300 13.453 -4.122 1.00 . A A . 35 TYR H 1 1 7 5550 1 1 35 TYR HA H 1.050 14.317 -1.433 1.00 . A A . 35 TYR HA 1 1 7 5551 1 1 35 TYR HB2 H 2.631 15.084 -3.451 1.00 . A A . 35 TYR HB2 1 1 7 5552 1 1 35 TYR HB3 H 1.407 16.341 -3.584 1.00 . A A . 35 TYR HB3 1 1 7 5553 1 1 35 TYR HD1 H 0.939 17.793 -1.572 1.00 . A A . 35 TYR HD1 1 1 7 5554 1 1 35 TYR HD2 H 4.275 15.160 -1.765 1.00 . A A . 35 TYR HD2 1 1 7 5555 1 1 35 TYR HE1 H 2.014 19.029 0.262 1.00 . A A . 35 TYR HE1 1 1 7 5556 1 1 35 TYR HE2 H 5.358 16.388 0.070 1.00 . A A . 35 TYR HE2 1 1 7 5557 1 1 35 TYR HH H 5.296 18.550 1.128 1.00 . A A . 35 TYR HH 1 1 7 5558 1 1 35 TYR N N 0.775 13.455 -3.295 1.00 . A A . 35 TYR N 1 1 7 5559 1 1 35 TYR O O -0.729 16.446 -2.860 1.00 . A A . 35 TYR O 1 1 7 5560 1 1 35 TYR OH O 4.355 18.473 1.303 1.00 . A A . 35 TYR OH 1 1 7 5561 1 1 36 GLY C C -3.877 14.018 -1.404 1.00 . A A . 36 GLY C 1 1 7 5562 1 1 36 GLY CA C -2.882 15.095 -1.793 1.00 . A A . 36 GLY CA 1 1 7 5563 1 1 36 GLY H H -1.358 13.718 -1.546 1.00 . A A . 36 GLY H 1 1 7 5564 1 1 36 GLY HA2 H -2.926 15.902 -1.079 1.00 . A A . 36 GLY HA2 1 1 7 5565 1 1 36 GLY HA3 H -3.138 15.461 -2.756 1.00 . A A . 36 GLY HA3 1 1 7 5566 1 1 36 GLY N N -1.545 14.597 -1.872 1.00 . A A . 36 GLY N 1 1 7 5567 1 1 36 GLY O O -4.920 14.307 -0.817 1.00 . A A . 36 GLY O 1 1 7 5568 1 1 37 ALA C C -4.600 11.446 0.057 1.00 . A A . 37 ALA C 1 1 7 5569 1 1 37 ALA CA C -4.430 11.642 -1.446 1.00 . A A . 37 ALA CA 1 1 7 5570 1 1 37 ALA CB C -3.891 10.371 -2.086 1.00 . A A . 37 ALA CB 1 1 7 5571 1 1 37 ALA H H -2.715 12.607 -2.223 1.00 . A A . 37 ALA H 1 1 7 5572 1 1 37 ALA HA H -5.397 11.847 -1.878 1.00 . A A . 37 ALA HA 1 1 7 5573 1 1 37 ALA HB1 H -2.880 10.198 -1.749 1.00 . A A . 37 ALA HB1 1 1 7 5574 1 1 37 ALA HB2 H -3.898 10.479 -3.161 1.00 . A A . 37 ALA HB2 1 1 7 5575 1 1 37 ALA HB3 H -4.514 9.533 -1.805 1.00 . A A . 37 ALA HB3 1 1 7 5576 1 1 37 ALA N N -3.557 12.770 -1.746 1.00 . A A . 37 ALA N 1 1 7 5577 1 1 37 ALA O O -3.622 11.400 0.804 1.00 . A A . 37 ALA O 1 1 7 5578 1 1 38 CYS C C -6.060 9.662 2.286 1.00 . A A . 38 CYS C 1 1 7 5579 1 1 38 CYS CA C -6.168 11.136 1.899 1.00 . A A . 38 CYS CA 1 1 7 5580 1 1 38 CYS CB C -7.577 11.653 2.197 1.00 . A A . 38 CYS CB 1 1 7 5581 1 1 38 CYS H H -6.585 11.372 -0.161 1.00 . A A . 38 CYS H 1 1 7 5582 1 1 38 CYS HA H -5.456 11.703 2.480 1.00 . A A . 38 CYS HA 1 1 7 5583 1 1 38 CYS HB2 H -8.299 10.959 1.792 1.00 . A A . 38 CYS HB2 1 1 7 5584 1 1 38 CYS HB3 H -7.710 11.720 3.266 1.00 . A A . 38 CYS HB3 1 1 7 5585 1 1 38 CYS N N -5.852 11.330 0.488 1.00 . A A . 38 CYS N 1 1 7 5586 1 1 38 CYS O O -6.295 8.776 1.464 1.00 . A A . 38 CYS O 1 1 7 5587 1 1 38 CYS SG S -7.932 13.295 1.487 1.00 . A A . 38 CYS SG 1 1 7 5588 1 1 39 ALA C C -6.912 7.342 4.152 1.00 . A A . 39 ALA C 1 1 7 5589 1 1 39 ALA CA C -5.564 8.044 4.040 1.00 . A A . 39 ALA CA 1 1 7 5590 1 1 39 ALA CB C -4.854 8.046 5.385 1.00 . A A . 39 ALA CB 1 1 7 5591 1 1 39 ALA H H -5.532 10.159 4.149 1.00 . A A . 39 ALA H 1 1 7 5592 1 1 39 ALA HA H -4.950 7.500 3.339 1.00 . A A . 39 ALA HA 1 1 7 5593 1 1 39 ALA HB1 H -5.204 7.212 5.976 1.00 . A A . 39 ALA HB1 1 1 7 5594 1 1 39 ALA HB2 H -5.066 8.969 5.903 1.00 . A A . 39 ALA HB2 1 1 7 5595 1 1 39 ALA HB3 H -3.789 7.954 5.230 1.00 . A A . 39 ALA HB3 1 1 7 5596 1 1 39 ALA N N -5.704 9.410 3.542 1.00 . A A . 39 ALA N 1 1 7 5597 1 1 39 ALA O O -7.964 7.982 4.133 1.00 . A A . 39 ALA O 1 1 7 5598 1 1 40 ALA C C -8.181 4.578 5.780 1.00 . A A . 40 ALA C 1 1 7 5599 1 1 40 ALA CA C -8.080 5.215 4.396 1.00 . A A . 40 ALA CA 1 1 7 5600 1 1 40 ALA CB C -8.116 4.146 3.314 1.00 . A A . 40 ALA CB 1 1 7 5601 1 1 40 ALA H H -5.997 5.569 4.287 1.00 . A A . 40 ALA H 1 1 7 5602 1 1 40 ALA HA H -8.928 5.869 4.250 1.00 . A A . 40 ALA HA 1 1 7 5603 1 1 40 ALA HB1 H -8.001 4.610 2.346 1.00 . A A . 40 ALA HB1 1 1 7 5604 1 1 40 ALA HB2 H -9.061 3.626 3.354 1.00 . A A . 40 ALA HB2 1 1 7 5605 1 1 40 ALA HB3 H -7.311 3.445 3.475 1.00 . A A . 40 ALA HB3 1 1 7 5606 1 1 40 ALA N N -6.868 6.017 4.274 1.00 . A A . 40 ALA N 1 1 7 5607 1 1 40 ALA O O -7.224 4.594 6.554 1.00 . A A . 40 ALA O 1 1 7 5608 1 1 41 LYS C C -8.689 2.177 7.586 1.00 . A A . 41 LYS C 1 1 7 5609 1 1 41 LYS CA C -9.585 3.398 7.386 1.00 . A A . 41 LYS CA 1 1 7 5610 1 1 41 LYS CB C -11.057 3.000 7.530 1.00 . A A . 41 LYS CB 1 1 7 5611 1 1 41 LYS CD C -13.119 2.977 8.966 1.00 . A A . 41 LYS CD 1 1 7 5612 1 1 41 LYS CE C -13.847 3.689 10.094 1.00 . A A . 41 LYS CE 1 1 7 5613 1 1 41 LYS CG C -11.683 3.459 8.836 1.00 . A A . 41 LYS CG 1 1 7 5614 1 1 41 LYS H H -10.081 4.057 5.434 1.00 . A A . 41 LYS H 1 1 7 5615 1 1 41 LYS HA H -9.349 4.126 8.149 1.00 . A A . 41 LYS HA 1 1 7 5616 1 1 41 LYS HB2 H -11.619 3.434 6.716 1.00 . A A . 41 LYS HB2 1 1 7 5617 1 1 41 LYS HB3 H -11.138 1.923 7.477 1.00 . A A . 41 LYS HB3 1 1 7 5618 1 1 41 LYS HD2 H -13.638 3.169 8.039 1.00 . A A . 41 LYS HD2 1 1 7 5619 1 1 41 LYS HD3 H -13.115 1.915 9.164 1.00 . A A . 41 LYS HD3 1 1 7 5620 1 1 41 LYS HE2 H -14.848 3.292 10.166 1.00 . A A . 41 LYS HE2 1 1 7 5621 1 1 41 LYS HE3 H -13.319 3.504 11.018 1.00 . A A . 41 LYS HE3 1 1 7 5622 1 1 41 LYS HG2 H -11.107 3.064 9.659 1.00 . A A . 41 LYS HG2 1 1 7 5623 1 1 41 LYS HG3 H -11.671 4.539 8.870 1.00 . A A . 41 LYS HG3 1 1 7 5624 1 1 41 LYS HZ1 H -13.746 5.376 8.864 1.00 . A A . 41 LYS HZ1 1 1 7 5625 1 1 41 LYS HZ2 H -13.218 5.650 10.448 1.00 . A A . 41 LYS HZ2 1 1 7 5626 1 1 41 LYS HZ3 H -14.871 5.510 10.121 1.00 . A A . 41 LYS HZ3 1 1 7 5627 1 1 41 LYS N N -9.352 4.029 6.090 1.00 . A A . 41 LYS N 1 1 7 5628 1 1 41 LYS NZ N -13.926 5.159 9.865 1.00 . A A . 41 LYS NZ 1 1 7 5629 1 1 41 LYS O O -7.721 2.225 8.344 1.00 . A A . 41 LYS O 1 1 7 5630 1 1 42 ARG C C -7.094 -0.191 6.069 1.00 . A A . 42 ARG C 1 1 7 5631 1 1 42 ARG CA C -8.265 -0.160 7.042 1.00 . A A . 42 ARG CA 1 1 7 5632 1 1 42 ARG CB C -9.168 -1.373 6.803 1.00 . A A . 42 ARG CB 1 1 7 5633 1 1 42 ARG CD C -9.851 -2.038 9.125 1.00 . A A . 42 ARG CD 1 1 7 5634 1 1 42 ARG CG C -10.317 -1.475 7.793 1.00 . A A . 42 ARG CG 1 1 7 5635 1 1 42 ARG CZ C -11.906 -1.789 10.464 1.00 . A A . 42 ARG CZ 1 1 7 5636 1 1 42 ARG H H -9.817 1.090 6.343 1.00 . A A . 42 ARG H 1 1 7 5637 1 1 42 ARG HA H -7.882 -0.209 8.048 1.00 . A A . 42 ARG HA 1 1 7 5638 1 1 42 ARG HB2 H -9.580 -1.313 5.807 1.00 . A A . 42 ARG HB2 1 1 7 5639 1 1 42 ARG HB3 H -8.572 -2.270 6.883 1.00 . A A . 42 ARG HB3 1 1 7 5640 1 1 42 ARG HD2 H -9.960 -3.112 9.105 1.00 . A A . 42 ARG HD2 1 1 7 5641 1 1 42 ARG HD3 H -8.811 -1.784 9.264 1.00 . A A . 42 ARG HD3 1 1 7 5642 1 1 42 ARG HE H -10.163 -0.903 10.866 1.00 . A A . 42 ARG HE 1 1 7 5643 1 1 42 ARG HG2 H -10.730 -0.490 7.953 1.00 . A A . 42 ARG HG2 1 1 7 5644 1 1 42 ARG HG3 H -11.076 -2.123 7.382 1.00 . A A . 42 ARG HG3 1 1 7 5645 1 1 42 ARG HH11 H -12.095 -3.000 8.854 1.00 . A A . 42 ARG HH11 1 1 7 5646 1 1 42 ARG HH12 H -13.525 -2.810 9.813 1.00 . A A . 42 ARG HH12 1 1 7 5647 1 1 42 ARG HH21 H -12.041 -0.653 12.129 1.00 . A A . 42 ARG HH21 1 1 7 5648 1 1 42 ARG HH22 H -13.494 -1.478 11.672 1.00 . A A . 42 ARG HH22 1 1 7 5649 1 1 42 ARG N N -9.029 1.076 6.919 1.00 . A A . 42 ARG N 1 1 7 5650 1 1 42 ARG NE N -10.624 -1.504 10.244 1.00 . A A . 42 ARG NE 1 1 7 5651 1 1 42 ARG NH1 N -12.562 -2.599 9.642 1.00 . A A . 42 ARG NH1 1 1 7 5652 1 1 42 ARG NH2 N -12.531 -1.264 11.507 1.00 . A A . 42 ARG NH2 1 1 7 5653 1 1 42 ARG O O -6.063 -0.805 6.346 1.00 . A A . 42 ARG O 1 1 7 5654 1 1 43 ASN C C -5.115 1.386 4.316 1.00 . A A . 43 ASN C 1 1 7 5655 1 1 43 ASN CA C -6.238 0.454 3.899 1.00 . A A . 43 ASN CA 1 1 7 5656 1 1 43 ASN CB C -6.838 0.939 2.583 1.00 . A A . 43 ASN CB 1 1 7 5657 1 1 43 ASN CG C -6.485 0.024 1.445 1.00 . A A . 43 ASN CG 1 1 7 5658 1 1 43 ASN H H -8.123 0.871 4.721 1.00 . A A . 43 ASN H 1 1 7 5659 1 1 43 ASN HA H -5.842 -0.535 3.770 1.00 . A A . 43 ASN HA 1 1 7 5660 1 1 43 ASN HB2 H -7.913 0.976 2.675 1.00 . A A . 43 ASN HB2 1 1 7 5661 1 1 43 ASN HB3 H -6.463 1.926 2.359 1.00 . A A . 43 ASN HB3 1 1 7 5662 1 1 43 ASN HD21 H -7.952 -1.162 2.055 1.00 . A A . 43 ASN HD21 1 1 7 5663 1 1 43 ASN HD22 H -7.074 -1.701 0.652 1.00 . A A . 43 ASN HD22 1 1 7 5664 1 1 43 ASN N N -7.269 0.438 4.914 1.00 . A A . 43 ASN N 1 1 7 5665 1 1 43 ASN ND2 N -7.243 -1.057 1.370 1.00 . A A . 43 ASN ND2 1 1 7 5666 1 1 43 ASN O O -5.130 1.951 5.409 1.00 . A A . 43 ASN O 1 1 7 5667 1 1 43 ASN OD1 O -5.565 0.269 0.660 1.00 . A A . 43 ASN OD1 1 1 7 5668 1 1 44 ASN C C -2.029 1.776 4.691 1.00 . A A . 44 ASN C 1 1 7 5669 1 1 44 ASN CA C -2.992 2.394 3.681 1.00 . A A . 44 ASN CA 1 1 7 5670 1 1 44 ASN CB C -3.450 3.767 4.176 1.00 . A A . 44 ASN CB 1 1 7 5671 1 1 44 ASN CG C -2.306 4.759 4.270 1.00 . A A . 44 ASN CG 1 1 7 5672 1 1 44 ASN H H -4.204 1.033 2.593 1.00 . A A . 44 ASN H 1 1 7 5673 1 1 44 ASN HA H -2.481 2.528 2.742 1.00 . A A . 44 ASN HA 1 1 7 5674 1 1 44 ASN HB2 H -4.184 4.156 3.489 1.00 . A A . 44 ASN HB2 1 1 7 5675 1 1 44 ASN HB3 H -3.895 3.666 5.154 1.00 . A A . 44 ASN HB3 1 1 7 5676 1 1 44 ASN HD21 H -3.573 6.277 4.058 1.00 . A A . 44 ASN HD21 1 1 7 5677 1 1 44 ASN HD22 H -1.910 6.707 4.237 1.00 . A A . 44 ASN HD22 1 1 7 5678 1 1 44 ASN N N -4.143 1.529 3.436 1.00 . A A . 44 ASN N 1 1 7 5679 1 1 44 ASN ND2 N -2.629 6.044 4.179 1.00 . A A . 44 ASN ND2 1 1 7 5680 1 1 44 ASN O O -2.373 1.585 5.857 1.00 . A A . 44 ASN O 1 1 7 5681 1 1 44 ASN OD1 O -1.147 4.376 4.426 1.00 . A A . 44 ASN OD1 1 1 7 5682 1 1 45 PHE C C 1.419 1.811 5.142 1.00 . A A . 45 PHE C 1 1 7 5683 1 1 45 PHE CA C 0.206 0.886 5.085 1.00 . A A . 45 PHE CA 1 1 7 5684 1 1 45 PHE CB C 0.607 -0.487 4.552 1.00 . A A . 45 PHE CB 1 1 7 5685 1 1 45 PHE CD1 C -1.536 -1.610 3.879 1.00 . A A . 45 PHE CD1 1 1 7 5686 1 1 45 PHE CD2 C -0.370 -2.445 5.787 1.00 . A A . 45 PHE CD2 1 1 7 5687 1 1 45 PHE CE1 C -2.516 -2.570 4.054 1.00 . A A . 45 PHE CE1 1 1 7 5688 1 1 45 PHE CE2 C -1.348 -3.407 5.968 1.00 . A A . 45 PHE CE2 1 1 7 5689 1 1 45 PHE CG C -0.452 -1.536 4.743 1.00 . A A . 45 PHE CG 1 1 7 5690 1 1 45 PHE CZ C -2.423 -3.469 5.099 1.00 . A A . 45 PHE CZ 1 1 7 5691 1 1 45 PHE H H -0.602 1.646 3.294 1.00 . A A . 45 PHE H 1 1 7 5692 1 1 45 PHE HA H -0.204 0.776 6.081 1.00 . A A . 45 PHE HA 1 1 7 5693 1 1 45 PHE HB2 H 0.811 -0.410 3.492 1.00 . A A . 45 PHE HB2 1 1 7 5694 1 1 45 PHE HB3 H 1.497 -0.812 5.064 1.00 . A A . 45 PHE HB3 1 1 7 5695 1 1 45 PHE HD1 H -1.610 -0.908 3.062 1.00 . A A . 45 PHE HD1 1 1 7 5696 1 1 45 PHE HD2 H 0.468 -2.398 6.466 1.00 . A A . 45 PHE HD2 1 1 7 5697 1 1 45 PHE HE1 H -3.354 -2.617 3.374 1.00 . A A . 45 PHE HE1 1 1 7 5698 1 1 45 PHE HE2 H -1.273 -4.109 6.785 1.00 . A A . 45 PHE HE2 1 1 7 5699 1 1 45 PHE HZ H -3.188 -4.219 5.238 1.00 . A A . 45 PHE HZ 1 1 7 5700 1 1 45 PHE N N -0.818 1.470 4.233 1.00 . A A . 45 PHE N 1 1 7 5701 1 1 45 PHE O O 1.748 2.470 4.156 1.00 . A A . 45 PHE O 1 1 7 5702 1 1 46 LYS C C 4.381 2.315 5.537 1.00 . A A . 46 LYS C 1 1 7 5703 1 1 46 LYS CA C 3.237 2.739 6.460 1.00 . A A . 46 LYS CA 1 1 7 5704 1 1 46 LYS CB C 3.704 2.746 7.918 1.00 . A A . 46 LYS CB 1 1 7 5705 1 1 46 LYS CD C 4.831 1.528 9.808 1.00 . A A . 46 LYS CD 1 1 7 5706 1 1 46 LYS CE C 6.265 1.032 9.921 1.00 . A A . 46 LYS CE 1 1 7 5707 1 1 46 LYS CG C 4.311 1.431 8.381 1.00 . A A . 46 LYS CG 1 1 7 5708 1 1 46 LYS H H 1.761 1.338 7.057 1.00 . A A . 46 LYS H 1 1 7 5709 1 1 46 LYS HA H 2.937 3.738 6.188 1.00 . A A . 46 LYS HA 1 1 7 5710 1 1 46 LYS HB2 H 4.447 3.520 8.042 1.00 . A A . 46 LYS HB2 1 1 7 5711 1 1 46 LYS HB3 H 2.859 2.970 8.552 1.00 . A A . 46 LYS HB3 1 1 7 5712 1 1 46 LYS HD2 H 4.793 2.559 10.128 1.00 . A A . 46 LYS HD2 1 1 7 5713 1 1 46 LYS HD3 H 4.202 0.928 10.451 1.00 . A A . 46 LYS HD3 1 1 7 5714 1 1 46 LYS HE2 H 6.261 0.065 10.401 1.00 . A A . 46 LYS HE2 1 1 7 5715 1 1 46 LYS HE3 H 6.681 0.938 8.928 1.00 . A A . 46 LYS HE3 1 1 7 5716 1 1 46 LYS HG2 H 3.555 0.662 8.335 1.00 . A A . 46 LYS HG2 1 1 7 5717 1 1 46 LYS HG3 H 5.129 1.174 7.724 1.00 . A A . 46 LYS HG3 1 1 7 5718 1 1 46 LYS HZ1 H 7.386 2.782 10.136 1.00 . A A . 46 LYS HZ1 1 1 7 5719 1 1 46 LYS HZ2 H 7.977 1.476 11.034 1.00 . A A . 46 LYS HZ2 1 1 7 5720 1 1 46 LYS HZ3 H 6.592 2.299 11.550 1.00 . A A . 46 LYS HZ3 1 1 7 5721 1 1 46 LYS N N 2.072 1.875 6.297 1.00 . A A . 46 LYS N 1 1 7 5722 1 1 46 LYS NZ N 7.115 1.962 10.716 1.00 . A A . 46 LYS NZ 1 1 7 5723 1 1 46 LYS O O 5.315 3.082 5.303 1.00 . A A . 46 LYS O 1 1 7 5724 1 1 47 SER C C 4.752 -0.431 3.138 1.00 . A A . 47 SER C 1 1 7 5725 1 1 47 SER CA C 5.326 0.585 4.109 1.00 . A A . 47 SER CA 1 1 7 5726 1 1 47 SER CB C 6.477 -0.047 4.897 1.00 . A A . 47 SER CB 1 1 7 5727 1 1 47 SER H H 3.531 0.531 5.222 1.00 . A A . 47 SER H 1 1 7 5728 1 1 47 SER HA H 5.710 1.421 3.544 1.00 . A A . 47 SER HA 1 1 7 5729 1 1 47 SER HB2 H 6.730 -1.001 4.452 1.00 . A A . 47 SER HB2 1 1 7 5730 1 1 47 SER HB3 H 7.334 0.603 4.852 1.00 . A A . 47 SER HB3 1 1 7 5731 1 1 47 SER HG H 5.199 -0.477 6.323 1.00 . A A . 47 SER HG 1 1 7 5732 1 1 47 SER N N 4.300 1.097 5.008 1.00 . A A . 47 SER N 1 1 7 5733 1 1 47 SER O O 3.850 -1.196 3.480 1.00 . A A . 47 SER O 1 1 7 5734 1 1 47 SER OG O 6.130 -0.263 6.255 1.00 . A A . 47 SER OG 1 1 7 5735 1 1 48 ALA C C 4.999 -2.805 1.400 1.00 . A A . 48 ALA C 1 1 7 5736 1 1 48 ALA CA C 4.839 -1.383 0.908 1.00 . A A . 48 ALA CA 1 1 7 5737 1 1 48 ALA CB C 5.594 -1.181 -0.397 1.00 . A A . 48 ALA CB 1 1 7 5738 1 1 48 ALA H H 6.022 0.176 1.717 1.00 . A A . 48 ALA H 1 1 7 5739 1 1 48 ALA HA H 3.787 -1.194 0.734 1.00 . A A . 48 ALA HA 1 1 7 5740 1 1 48 ALA HB1 H 4.908 -0.851 -1.162 1.00 . A A . 48 ALA HB1 1 1 7 5741 1 1 48 ALA HB2 H 6.046 -2.114 -0.700 1.00 . A A . 48 ALA HB2 1 1 7 5742 1 1 48 ALA HB3 H 6.363 -0.437 -0.255 1.00 . A A . 48 ALA HB3 1 1 7 5743 1 1 48 ALA N N 5.295 -0.448 1.925 1.00 . A A . 48 ALA N 1 1 7 5744 1 1 48 ALA O O 4.125 -3.645 1.192 1.00 . A A . 48 ALA O 1 1 7 5745 1 1 49 GLU C C 5.195 -4.721 3.573 1.00 . A A . 49 GLU C 1 1 7 5746 1 1 49 GLU CA C 6.339 -4.384 2.634 1.00 . A A . 49 GLU CA 1 1 7 5747 1 1 49 GLU CB C 7.678 -4.435 3.376 1.00 . A A . 49 GLU CB 1 1 7 5748 1 1 49 GLU CD C 9.539 -5.978 4.109 1.00 . A A . 49 GLU CD 1 1 7 5749 1 1 49 GLU CG C 8.514 -5.660 3.039 1.00 . A A . 49 GLU CG 1 1 7 5750 1 1 49 GLU H H 6.755 -2.351 2.244 1.00 . A A . 49 GLU H 1 1 7 5751 1 1 49 GLU HA H 6.348 -5.093 1.818 1.00 . A A . 49 GLU HA 1 1 7 5752 1 1 49 GLU HB2 H 8.251 -3.555 3.122 1.00 . A A . 49 GLU HB2 1 1 7 5753 1 1 49 GLU HB3 H 7.489 -4.437 4.438 1.00 . A A . 49 GLU HB3 1 1 7 5754 1 1 49 GLU HG2 H 7.857 -6.509 2.928 1.00 . A A . 49 GLU HG2 1 1 7 5755 1 1 49 GLU HG3 H 9.030 -5.481 2.107 1.00 . A A . 49 GLU HG3 1 1 7 5756 1 1 49 GLU N N 6.104 -3.065 2.086 1.00 . A A . 49 GLU N 1 1 7 5757 1 1 49 GLU O O 4.690 -5.841 3.582 1.00 . A A . 49 GLU O 1 1 7 5758 1 1 49 GLU OE1 O 10.141 -5.029 4.657 1.00 . A A . 49 GLU OE1 1 1 7 5759 1 1 49 GLU OE2 O 9.743 -7.176 4.399 1.00 . A A . 49 GLU OE2 1 1 7 5760 1 1 50 ASP C C 2.362 -4.159 4.491 1.00 . A A . 50 ASP C 1 1 7 5761 1 1 50 ASP CA C 3.653 -3.886 5.258 1.00 . A A . 50 ASP CA 1 1 7 5762 1 1 50 ASP CB C 3.495 -2.646 6.138 1.00 . A A . 50 ASP CB 1 1 7 5763 1 1 50 ASP CG C 3.489 -2.984 7.617 1.00 . A A . 50 ASP CG 1 1 7 5764 1 1 50 ASP H H 5.196 -2.833 4.256 1.00 . A A . 50 ASP H 1 1 7 5765 1 1 50 ASP HA H 3.872 -4.737 5.886 1.00 . A A . 50 ASP HA 1 1 7 5766 1 1 50 ASP HB2 H 4.313 -1.972 5.946 1.00 . A A . 50 ASP HB2 1 1 7 5767 1 1 50 ASP HB3 H 2.564 -2.156 5.896 1.00 . A A . 50 ASP HB3 1 1 7 5768 1 1 50 ASP N N 4.765 -3.716 4.335 1.00 . A A . 50 ASP N 1 1 7 5769 1 1 50 ASP O O 1.582 -5.033 4.870 1.00 . A A . 50 ASP O 1 1 7 5770 1 1 50 ASP OD1 O 2.863 -3.999 7.991 1.00 . A A . 50 ASP OD1 1 1 7 5771 1 1 50 ASP OD2 O 4.110 -2.235 8.399 1.00 . A A . 50 ASP OD2 1 1 7 5772 1 1 51 CYS C C 0.925 -4.998 1.999 1.00 . A A . 51 CYS C 1 1 7 5773 1 1 51 CYS CA C 0.944 -3.591 2.592 1.00 . A A . 51 CYS CA 1 1 7 5774 1 1 51 CYS CB C 0.918 -2.535 1.474 1.00 . A A . 51 CYS CB 1 1 7 5775 1 1 51 CYS H H 2.801 -2.727 3.140 1.00 . A A . 51 CYS H 1 1 7 5776 1 1 51 CYS HA H 0.076 -3.462 3.230 1.00 . A A . 51 CYS HA 1 1 7 5777 1 1 51 CYS HB2 H 0.624 -1.584 1.897 1.00 . A A . 51 CYS HB2 1 1 7 5778 1 1 51 CYS HB3 H 1.913 -2.446 1.056 1.00 . A A . 51 CYS HB3 1 1 7 5779 1 1 51 CYS N N 2.142 -3.412 3.406 1.00 . A A . 51 CYS N 1 1 7 5780 1 1 51 CYS O O -0.001 -5.775 2.232 1.00 . A A . 51 CYS O 1 1 7 5781 1 1 51 CYS SG S -0.226 -2.896 0.097 1.00 . A A . 51 CYS SG 1 1 7 5782 1 1 52 LEU C C 1.967 -7.764 1.620 1.00 . A A . 52 LEU C 1 1 7 5783 1 1 52 LEU CA C 2.102 -6.624 0.610 1.00 . A A . 52 LEU CA 1 1 7 5784 1 1 52 LEU CB C 3.452 -6.723 -0.101 1.00 . A A . 52 LEU CB 1 1 7 5785 1 1 52 LEU CD1 C 4.903 -6.155 -2.062 1.00 . A A . 52 LEU CD1 1 1 7 5786 1 1 52 LEU CD2 C 2.417 -6.140 -2.310 1.00 . A A . 52 LEU CD2 1 1 7 5787 1 1 52 LEU CG C 3.581 -5.874 -1.368 1.00 . A A . 52 LEU CG 1 1 7 5788 1 1 52 LEU H H 2.677 -4.655 1.112 1.00 . A A . 52 LEU H 1 1 7 5789 1 1 52 LEU HA H 1.314 -6.713 -0.125 1.00 . A A . 52 LEU HA 1 1 7 5790 1 1 52 LEU HB2 H 4.224 -6.415 0.592 1.00 . A A . 52 LEU HB2 1 1 7 5791 1 1 52 LEU HB3 H 3.622 -7.754 -0.366 1.00 . A A . 52 LEU HB3 1 1 7 5792 1 1 52 LEU HD11 H 5.152 -5.327 -2.710 1.00 . A A . 52 LEU HD11 1 1 7 5793 1 1 52 LEU HD12 H 4.817 -7.058 -2.648 1.00 . A A . 52 LEU HD12 1 1 7 5794 1 1 52 LEU HD13 H 5.680 -6.278 -1.321 1.00 . A A . 52 LEU HD13 1 1 7 5795 1 1 52 LEU HD21 H 2.315 -7.204 -2.466 1.00 . A A . 52 LEU HD21 1 1 7 5796 1 1 52 LEU HD22 H 2.601 -5.654 -3.256 1.00 . A A . 52 LEU HD22 1 1 7 5797 1 1 52 LEU HD23 H 1.507 -5.751 -1.876 1.00 . A A . 52 LEU HD23 1 1 7 5798 1 1 52 LEU HG H 3.561 -4.829 -1.095 1.00 . A A . 52 LEU HG 1 1 7 5799 1 1 52 LEU N N 1.970 -5.318 1.245 1.00 . A A . 52 LEU N 1 1 7 5800 1 1 52 LEU O O 1.277 -8.747 1.366 1.00 . A A . 52 LEU O 1 1 7 5801 1 1 53 ARG C C 1.138 -8.921 4.250 1.00 . A A . 53 ARG C 1 1 7 5802 1 1 53 ARG CA C 2.572 -8.679 3.786 1.00 . A A . 53 ARG CA 1 1 7 5803 1 1 53 ARG CB C 3.449 -8.309 4.987 1.00 . A A . 53 ARG CB 1 1 7 5804 1 1 53 ARG CD C 3.223 -10.379 6.400 1.00 . A A . 53 ARG CD 1 1 7 5805 1 1 53 ARG CG C 4.170 -9.495 5.603 1.00 . A A . 53 ARG CG 1 1 7 5806 1 1 53 ARG CZ C 2.818 -9.447 8.650 1.00 . A A . 53 ARG CZ 1 1 7 5807 1 1 53 ARG H H 3.170 -6.835 2.922 1.00 . A A . 53 ARG H 1 1 7 5808 1 1 53 ARG HA H 2.952 -9.590 3.346 1.00 . A A . 53 ARG HA 1 1 7 5809 1 1 53 ARG HB2 H 4.192 -7.594 4.672 1.00 . A A . 53 ARG HB2 1 1 7 5810 1 1 53 ARG HB3 H 2.827 -7.858 5.747 1.00 . A A . 53 ARG HB3 1 1 7 5811 1 1 53 ARG HD2 H 2.207 -10.080 6.193 1.00 . A A . 53 ARG HD2 1 1 7 5812 1 1 53 ARG HD3 H 3.365 -11.404 6.091 1.00 . A A . 53 ARG HD3 1 1 7 5813 1 1 53 ARG HE H 4.146 -10.874 8.223 1.00 . A A . 53 ARG HE 1 1 7 5814 1 1 53 ARG HG2 H 4.614 -10.084 4.814 1.00 . A A . 53 ARG HG2 1 1 7 5815 1 1 53 ARG HG3 H 4.946 -9.130 6.260 1.00 . A A . 53 ARG HG3 1 1 7 5816 1 1 53 ARG HH11 H 1.677 -8.620 7.198 1.00 . A A . 53 ARG HH11 1 1 7 5817 1 1 53 ARG HH12 H 1.414 -8.000 8.792 1.00 . A A . 53 ARG HH12 1 1 7 5818 1 1 53 ARG HH21 H 3.799 -10.051 10.312 1.00 . A A . 53 ARG HH21 1 1 7 5819 1 1 53 ARG HH22 H 2.617 -8.808 10.558 1.00 . A A . 53 ARG HH22 1 1 7 5820 1 1 53 ARG N N 2.628 -7.636 2.764 1.00 . A A . 53 ARG N 1 1 7 5821 1 1 53 ARG NE N 3.465 -10.283 7.839 1.00 . A A . 53 ARG NE 1 1 7 5822 1 1 53 ARG NH1 N 1.894 -8.621 8.173 1.00 . A A . 53 ARG NH1 1 1 7 5823 1 1 53 ARG NH2 N 3.101 -9.434 9.947 1.00 . A A . 53 ARG NH2 1 1 7 5824 1 1 53 ARG O O 0.674 -10.060 4.291 1.00 . A A . 53 ARG O 1 1 7 5825 1 1 54 THR C C -1.922 -8.134 3.924 1.00 . A A . 54 THR C 1 1 7 5826 1 1 54 THR CA C -0.935 -7.944 5.074 1.00 . A A . 54 THR CA 1 1 7 5827 1 1 54 THR CB C -1.310 -6.692 5.870 1.00 . A A . 54 THR CB 1 1 7 5828 1 1 54 THR CG2 C -2.651 -6.806 6.565 1.00 . A A . 54 THR CG2 1 1 7 5829 1 1 54 THR H H 0.868 -6.964 4.552 1.00 . A A . 54 THR H 1 1 7 5830 1 1 54 THR HA H -0.997 -8.802 5.729 1.00 . A A . 54 THR HA 1 1 7 5831 1 1 54 THR HB H -1.358 -5.849 5.194 1.00 . A A . 54 THR HB 1 1 7 5832 1 1 54 THR HG1 H -0.284 -7.151 7.474 1.00 . A A . 54 THR HG1 1 1 7 5833 1 1 54 THR HG21 H -2.524 -6.629 7.623 1.00 . A A . 54 THR HG21 1 1 7 5834 1 1 54 THR HG22 H -3.054 -7.796 6.411 1.00 . A A . 54 THR HG22 1 1 7 5835 1 1 54 THR HG23 H -3.331 -6.074 6.157 1.00 . A A . 54 THR HG23 1 1 7 5836 1 1 54 THR N N 0.443 -7.846 4.603 1.00 . A A . 54 THR N 1 1 7 5837 1 1 54 THR O O -2.647 -9.127 3.874 1.00 . A A . 54 THR O 1 1 7 5838 1 1 54 THR OG1 O -0.336 -6.415 6.859 1.00 . A A . 54 THR OG1 1 1 7 5839 1 1 55 CYS C C -2.448 -8.190 0.820 1.00 . A A . 55 CYS C 1 1 7 5840 1 1 55 CYS CA C -2.890 -7.200 1.897 1.00 . A A . 55 CYS CA 1 1 7 5841 1 1 55 CYS CB C -3.051 -5.802 1.289 1.00 . A A . 55 CYS CB 1 1 7 5842 1 1 55 CYS H H -1.390 -6.379 3.135 1.00 . A A . 55 CYS H 1 1 7 5843 1 1 55 CYS HA H -3.840 -7.523 2.279 1.00 . A A . 55 CYS HA 1 1 7 5844 1 1 55 CYS HB2 H -2.233 -5.175 1.614 1.00 . A A . 55 CYS HB2 1 1 7 5845 1 1 55 CYS HB3 H -3.029 -5.882 0.214 1.00 . A A . 55 CYS HB3 1 1 7 5846 1 1 55 CYS N N -1.969 -7.158 3.025 1.00 . A A . 55 CYS N 1 1 7 5847 1 1 55 CYS O O -3.274 -8.908 0.255 1.00 . A A . 55 CYS O 1 1 7 5848 1 1 55 CYS SG S -4.604 -4.966 1.750 1.00 . A A . 55 CYS SG 1 1 7 5849 1 1 56 GLY C C -0.726 -10.583 -0.058 1.00 . A A . 56 GLY C 1 1 7 5850 1 1 56 GLY CA C -0.650 -9.130 -0.489 1.00 . A A . 56 GLY CA 1 1 7 5851 1 1 56 GLY H H -0.534 -7.625 1.002 1.00 . A A . 56 GLY H 1 1 7 5852 1 1 56 GLY HA2 H -1.237 -9.003 -1.387 1.00 . A A . 56 GLY HA2 1 1 7 5853 1 1 56 GLY HA3 H 0.379 -8.880 -0.710 1.00 . A A . 56 GLY HA3 1 1 7 5854 1 1 56 GLY N N -1.153 -8.222 0.529 1.00 . A A . 56 GLY N 1 1 7 5855 1 1 56 GLY O O -1.750 -11.239 -0.248 1.00 . A A . 56 GLY O 1 1 7 5856 1 1 57 GLY C C -0.674 -12.759 2.017 1.00 . A A . 57 GLY C 1 1 7 5857 1 1 57 GLY CA C 0.385 -12.468 0.971 1.00 . A A . 57 GLY CA 1 1 7 5858 1 1 57 GLY H H 1.146 -10.517 0.649 1.00 . A A . 57 GLY H 1 1 7 5859 1 1 57 GLY HA2 H 0.225 -13.114 0.121 1.00 . A A . 57 GLY HA2 1 1 7 5860 1 1 57 GLY HA3 H 1.357 -12.679 1.393 1.00 . A A . 57 GLY HA3 1 1 7 5861 1 1 57 GLY N N 0.358 -11.086 0.524 1.00 . A A . 57 GLY N 1 1 7 5862 1 1 57 GLY O O -0.433 -12.605 3.214 1.00 . A A . 57 GLY O 1 1 7 5863 1 1 58 ALA C C -2.725 -14.841 3.154 1.00 . A A . 58 ALA C 1 1 7 5864 1 1 58 ALA CA C -2.948 -13.495 2.471 1.00 . A A . 58 ALA CA 1 1 7 5865 1 1 58 ALA CB C -4.273 -13.490 1.722 1.00 . A A . 58 ALA CB 1 1 7 5866 1 1 58 ALA H H -1.984 -13.284 0.599 1.00 . A A . 58 ALA H 1 1 7 5867 1 1 58 ALA HA H -2.986 -12.724 3.227 1.00 . A A . 58 ALA HA 1 1 7 5868 1 1 58 ALA HB1 H -4.821 -12.591 1.965 1.00 . A A . 58 ALA HB1 1 1 7 5869 1 1 58 ALA HB2 H -4.855 -14.354 2.009 1.00 . A A . 58 ALA HB2 1 1 7 5870 1 1 58 ALA HB3 H -4.086 -13.520 0.659 1.00 . A A . 58 ALA HB3 1 1 7 5871 1 1 58 ALA N N -1.851 -13.181 1.565 1.00 . A A . 58 ALA N 1 1 7 5872 1 1 58 ALA O O -1.569 -15.312 3.167 1.00 . A A . 58 ALA O 1 1 7 5873 1 1 58 ALA OXT O -3.709 -15.412 3.669 1.00 . A A . 58 ALA OXT 1 1 8 5874 1 1 1 ARG C C -8.293 -10.794 0.102 1.00 . A A . 1 ARG C 1 1 8 5875 1 1 1 ARG CA C -7.492 -11.401 -1.049 1.00 . A A . 1 ARG CA 1 1 8 5876 1 1 1 ARG CB C -7.623 -10.531 -2.300 1.00 . A A . 1 ARG CB 1 1 8 5877 1 1 1 ARG CD C -9.546 -9.199 -3.229 1.00 . A A . 1 ARG CD 1 1 8 5878 1 1 1 ARG CG C -9.001 -10.590 -2.941 1.00 . A A . 1 ARG CG 1 1 8 5879 1 1 1 ARG CZ C -10.946 -9.488 -5.237 1.00 . A A . 1 ARG CZ 1 1 8 5880 1 1 1 ARG H1 H -7.613 -13.414 -0.639 1.00 . A A . 1 ARG H1 1 1 8 5881 1 1 1 ARG H2 H -7.600 -13.023 -2.311 1.00 . A A . 1 ARG H2 1 1 8 5882 1 1 1 ARG H3 H -9.012 -12.750 -1.374 1.00 . A A . 1 ARG H3 1 1 8 5883 1 1 1 ARG HA H -6.454 -11.461 -0.764 1.00 . A A . 1 ARG HA 1 1 8 5884 1 1 1 ARG HB2 H -7.416 -9.505 -2.033 1.00 . A A . 1 ARG HB2 1 1 8 5885 1 1 1 ARG HB3 H -6.897 -10.857 -3.029 1.00 . A A . 1 ARG HB3 1 1 8 5886 1 1 1 ARG HD2 H -9.683 -8.679 -2.292 1.00 . A A . 1 ARG HD2 1 1 8 5887 1 1 1 ARG HD3 H -8.832 -8.664 -3.837 1.00 . A A . 1 ARG HD3 1 1 8 5888 1 1 1 ARG HE H -11.638 -9.093 -3.407 1.00 . A A . 1 ARG HE 1 1 8 5889 1 1 1 ARG HG2 H -8.932 -11.137 -3.870 1.00 . A A . 1 ARG HG2 1 1 8 5890 1 1 1 ARG HG3 H -9.677 -11.101 -2.272 1.00 . A A . 1 ARG HG3 1 1 8 5891 1 1 1 ARG HH11 H -8.959 -9.678 -5.566 1.00 . A A . 1 ARG HH11 1 1 8 5892 1 1 1 ARG HH12 H -9.966 -9.880 -6.961 1.00 . A A . 1 ARG HH12 1 1 8 5893 1 1 1 ARG HH21 H -12.962 -9.359 -5.240 1.00 . A A . 1 ARG HH21 1 1 8 5894 1 1 1 ARG HH22 H -12.237 -9.697 -6.776 1.00 . A A . 1 ARG HH22 1 1 8 5895 1 1 1 ARG N N -7.972 -12.770 -1.372 1.00 . A A . 1 ARG N 1 1 8 5896 1 1 1 ARG NE N -10.825 -9.247 -3.933 1.00 . A A . 1 ARG NE 1 1 8 5897 1 1 1 ARG NH1 N -9.868 -9.699 -5.982 1.00 . A A . 1 ARG NH1 1 1 8 5898 1 1 1 ARG NH2 N -12.147 -9.517 -5.798 1.00 . A A . 1 ARG NH2 1 1 8 5899 1 1 1 ARG O O -9.524 -10.818 0.089 1.00 . A A . 1 ARG O 1 1 8 5900 1 1 2 PRO C C -9.307 -8.586 1.838 1.00 . A A . 2 PRO C 1 1 8 5901 1 1 2 PRO CA C -8.275 -9.631 2.270 1.00 . A A . 2 PRO CA 1 1 8 5902 1 1 2 PRO CB C -7.135 -8.987 3.064 1.00 . A A . 2 PRO CB 1 1 8 5903 1 1 2 PRO CD C -6.137 -10.170 1.217 1.00 . A A . 2 PRO CD 1 1 8 5904 1 1 2 PRO CG C -5.886 -9.674 2.615 1.00 . A A . 2 PRO CG 1 1 8 5905 1 1 2 PRO HA H -8.764 -10.378 2.878 1.00 . A A . 2 PRO HA 1 1 8 5906 1 1 2 PRO HB2 H -7.100 -7.930 2.853 1.00 . A A . 2 PRO HB2 1 1 8 5907 1 1 2 PRO HB3 H -7.304 -9.145 4.123 1.00 . A A . 2 PRO HB3 1 1 8 5908 1 1 2 PRO HD2 H -5.737 -9.478 0.494 1.00 . A A . 2 PRO HD2 1 1 8 5909 1 1 2 PRO HD3 H -5.697 -11.149 1.083 1.00 . A A . 2 PRO HD3 1 1 8 5910 1 1 2 PRO HG2 H -5.060 -8.975 2.617 1.00 . A A . 2 PRO HG2 1 1 8 5911 1 1 2 PRO HG3 H -5.672 -10.505 3.271 1.00 . A A . 2 PRO HG3 1 1 8 5912 1 1 2 PRO N N -7.605 -10.241 1.119 1.00 . A A . 2 PRO N 1 1 8 5913 1 1 2 PRO O O -9.038 -7.749 0.980 1.00 . A A . 2 PRO O 1 1 8 5914 1 1 3 ASP C C -11.171 -6.285 2.064 1.00 . A A . 3 ASP C 1 1 8 5915 1 1 3 ASP CA C -11.598 -7.753 2.085 1.00 . A A . 3 ASP CA 1 1 8 5916 1 1 3 ASP CB C -12.751 -7.939 3.071 1.00 . A A . 3 ASP CB 1 1 8 5917 1 1 3 ASP CG C -13.809 -8.894 2.551 1.00 . A A . 3 ASP CG 1 1 8 5918 1 1 3 ASP H H -10.657 -9.371 3.081 1.00 . A A . 3 ASP H 1 1 8 5919 1 1 3 ASP HA H -11.947 -8.014 1.096 1.00 . A A . 3 ASP HA 1 1 8 5920 1 1 3 ASP HB2 H -12.364 -8.332 4.000 1.00 . A A . 3 ASP HB2 1 1 8 5921 1 1 3 ASP HB3 H -13.217 -6.981 3.257 1.00 . A A . 3 ASP HB3 1 1 8 5922 1 1 3 ASP N N -10.500 -8.665 2.420 1.00 . A A . 3 ASP N 1 1 8 5923 1 1 3 ASP O O -11.442 -5.575 1.099 1.00 . A A . 3 ASP O 1 1 8 5924 1 1 3 ASP OD1 O -13.618 -10.120 2.685 1.00 . A A . 3 ASP OD1 1 1 8 5925 1 1 3 ASP OD2 O -14.826 -8.414 2.006 1.00 . A A . 3 ASP OD2 1 1 8 5926 1 1 4 PHE C C -9.315 -3.992 1.983 1.00 . A A . 4 PHE C 1 1 8 5927 1 1 4 PHE CA C -10.120 -4.414 3.210 1.00 . A A . 4 PHE CA 1 1 8 5928 1 1 4 PHE CB C -9.318 -4.123 4.482 1.00 . A A . 4 PHE CB 1 1 8 5929 1 1 4 PHE CD1 C -8.762 -6.338 5.526 1.00 . A A . 4 PHE CD1 1 1 8 5930 1 1 4 PHE CD2 C -6.987 -5.024 4.633 1.00 . A A . 4 PHE CD2 1 1 8 5931 1 1 4 PHE CE1 C -7.856 -7.307 5.907 1.00 . A A . 4 PHE CE1 1 1 8 5932 1 1 4 PHE CE2 C -6.077 -5.990 5.011 1.00 . A A . 4 PHE CE2 1 1 8 5933 1 1 4 PHE CG C -8.339 -5.189 4.883 1.00 . A A . 4 PHE CG 1 1 8 5934 1 1 4 PHE CZ C -6.513 -7.132 5.648 1.00 . A A . 4 PHE CZ 1 1 8 5935 1 1 4 PHE H H -10.363 -6.415 3.886 1.00 . A A . 4 PHE H 1 1 8 5936 1 1 4 PHE HA H -11.026 -3.820 3.238 1.00 . A A . 4 PHE HA 1 1 8 5937 1 1 4 PHE HB2 H -8.755 -3.218 4.324 1.00 . A A . 4 PHE HB2 1 1 8 5938 1 1 4 PHE HB3 H -10.006 -3.977 5.305 1.00 . A A . 4 PHE HB3 1 1 8 5939 1 1 4 PHE HD1 H -9.814 -6.478 5.728 1.00 . A A . 4 PHE HD1 1 1 8 5940 1 1 4 PHE HD2 H -6.645 -4.129 4.134 1.00 . A A . 4 PHE HD2 1 1 8 5941 1 1 4 PHE HE1 H -8.198 -8.200 6.407 1.00 . A A . 4 PHE HE1 1 1 8 5942 1 1 4 PHE HE2 H -5.026 -5.852 4.809 1.00 . A A . 4 PHE HE2 1 1 8 5943 1 1 4 PHE HZ H -5.802 -7.889 5.946 1.00 . A A . 4 PHE HZ 1 1 8 5944 1 1 4 PHE N N -10.534 -5.818 3.134 1.00 . A A . 4 PHE N 1 1 8 5945 1 1 4 PHE O O -9.255 -2.810 1.648 1.00 . A A . 4 PHE O 1 1 8 5946 1 1 5 CYS C C -8.804 -3.984 -0.943 1.00 . A A . 5 CYS C 1 1 8 5947 1 1 5 CYS CA C -7.946 -4.692 0.093 1.00 . A A . 5 CYS CA 1 1 8 5948 1 1 5 CYS CB C -7.408 -5.988 -0.499 1.00 . A A . 5 CYS CB 1 1 8 5949 1 1 5 CYS H H -8.828 -5.882 1.598 1.00 . A A . 5 CYS H 1 1 8 5950 1 1 5 CYS HA H -7.117 -4.057 0.359 1.00 . A A . 5 CYS HA 1 1 8 5951 1 1 5 CYS HB2 H -8.234 -6.637 -0.741 1.00 . A A . 5 CYS HB2 1 1 8 5952 1 1 5 CYS HB3 H -6.866 -5.757 -1.398 1.00 . A A . 5 CYS HB3 1 1 8 5953 1 1 5 CYS N N -8.723 -4.964 1.298 1.00 . A A . 5 CYS N 1 1 8 5954 1 1 5 CYS O O -8.294 -3.344 -1.863 1.00 . A A . 5 CYS O 1 1 8 5955 1 1 5 CYS SG S -6.286 -6.900 0.602 1.00 . A A . 5 CYS SG 1 1 8 5956 1 1 6 LEU C C -11.293 -2.026 -1.349 1.00 . A A . 6 LEU C 1 1 8 5957 1 1 6 LEU CA C -11.062 -3.497 -1.701 1.00 . A A . 6 LEU CA 1 1 8 5958 1 1 6 LEU CB C -12.394 -4.253 -1.667 1.00 . A A . 6 LEU CB 1 1 8 5959 1 1 6 LEU CD1 C -13.668 -6.412 -1.746 1.00 . A A . 6 LEU CD1 1 1 8 5960 1 1 6 LEU CD2 C -11.591 -6.143 -3.110 1.00 . A A . 6 LEU CD2 1 1 8 5961 1 1 6 LEU CG C -12.288 -5.776 -1.808 1.00 . A A . 6 LEU CG 1 1 8 5962 1 1 6 LEU H H -10.449 -4.645 -0.031 1.00 . A A . 6 LEU H 1 1 8 5963 1 1 6 LEU HA H -10.649 -3.556 -2.697 1.00 . A A . 6 LEU HA 1 1 8 5964 1 1 6 LEU HB2 H -12.884 -4.033 -0.730 1.00 . A A . 6 LEU HB2 1 1 8 5965 1 1 6 LEU HB3 H -13.013 -3.883 -2.472 1.00 . A A . 6 LEU HB3 1 1 8 5966 1 1 6 LEU HD11 H -14.227 -6.149 -2.631 1.00 . A A . 6 LEU HD11 1 1 8 5967 1 1 6 LEU HD12 H -14.190 -6.055 -0.871 1.00 . A A . 6 LEU HD12 1 1 8 5968 1 1 6 LEU HD13 H -13.567 -7.487 -1.690 1.00 . A A . 6 LEU HD13 1 1 8 5969 1 1 6 LEU HD21 H -10.835 -5.404 -3.333 1.00 . A A . 6 LEU HD21 1 1 8 5970 1 1 6 LEU HD22 H -12.315 -6.171 -3.910 1.00 . A A . 6 LEU HD22 1 1 8 5971 1 1 6 LEU HD23 H -11.127 -7.113 -3.008 1.00 . A A . 6 LEU HD23 1 1 8 5972 1 1 6 LEU HG H -11.703 -6.172 -0.988 1.00 . A A . 6 LEU HG 1 1 8 5973 1 1 6 LEU N N -10.113 -4.114 -0.784 1.00 . A A . 6 LEU N 1 1 8 5974 1 1 6 LEU O O -11.798 -1.258 -2.168 1.00 . A A . 6 LEU O 1 1 8 5975 1 1 7 GLU C C -10.047 0.663 -0.291 1.00 . A A . 7 GLU C 1 1 8 5976 1 1 7 GLU CA C -11.096 -0.262 0.327 1.00 . A A . 7 GLU CA 1 1 8 5977 1 1 7 GLU CB C -11.011 -0.187 1.852 1.00 . A A . 7 GLU CB 1 1 8 5978 1 1 7 GLU CD C -13.118 1.102 2.401 1.00 . A A . 7 GLU CD 1 1 8 5979 1 1 7 GLU CG C -11.601 1.091 2.430 1.00 . A A . 7 GLU CG 1 1 8 5980 1 1 7 GLU H H -10.533 -2.297 0.486 1.00 . A A . 7 GLU H 1 1 8 5981 1 1 7 GLU HA H -12.071 0.066 0.015 1.00 . A A . 7 GLU HA 1 1 8 5982 1 1 7 GLU HB2 H -11.543 -1.027 2.274 1.00 . A A . 7 GLU HB2 1 1 8 5983 1 1 7 GLU HB3 H -9.972 -0.242 2.148 1.00 . A A . 7 GLU HB3 1 1 8 5984 1 1 7 GLU HG2 H -11.276 1.190 3.454 1.00 . A A . 7 GLU HG2 1 1 8 5985 1 1 7 GLU HG3 H -11.238 1.930 1.855 1.00 . A A . 7 GLU HG3 1 1 8 5986 1 1 7 GLU N N -10.926 -1.641 -0.126 1.00 . A A . 7 GLU N 1 1 8 5987 1 1 7 GLU O O -8.864 0.566 0.031 1.00 . A A . 7 GLU O 1 1 8 5988 1 1 7 GLU OE1 O -13.716 0.029 2.177 1.00 . A A . 7 GLU OE1 1 1 8 5989 1 1 7 GLU OE2 O -13.705 2.184 2.603 1.00 . A A . 7 GLU OE2 1 1 8 5990 1 1 8 PRO C C -9.487 3.856 -1.105 1.00 . A A . 8 PRO C 1 1 8 5991 1 1 8 PRO CA C -9.561 2.515 -1.838 1.00 . A A . 8 PRO CA 1 1 8 5992 1 1 8 PRO CB C -10.203 2.695 -3.216 1.00 . A A . 8 PRO CB 1 1 8 5993 1 1 8 PRO CD C -11.839 1.788 -1.651 1.00 . A A . 8 PRO CD 1 1 8 5994 1 1 8 PRO CG C -11.653 2.330 -3.051 1.00 . A A . 8 PRO CG 1 1 8 5995 1 1 8 PRO HA H -8.570 2.106 -1.946 1.00 . A A . 8 PRO HA 1 1 8 5996 1 1 8 PRO HB2 H -10.092 3.721 -3.532 1.00 . A A . 8 PRO HB2 1 1 8 5997 1 1 8 PRO HB3 H -9.714 2.044 -3.925 1.00 . A A . 8 PRO HB3 1 1 8 5998 1 1 8 PRO HD2 H -12.348 2.513 -1.031 1.00 . A A . 8 PRO HD2 1 1 8 5999 1 1 8 PRO HD3 H -12.388 0.859 -1.677 1.00 . A A . 8 PRO HD3 1 1 8 6000 1 1 8 PRO HG2 H -12.266 3.208 -3.190 1.00 . A A . 8 PRO HG2 1 1 8 6001 1 1 8 PRO HG3 H -11.919 1.574 -3.778 1.00 . A A . 8 PRO HG3 1 1 8 6002 1 1 8 PRO N N -10.463 1.580 -1.187 1.00 . A A . 8 PRO N 1 1 8 6003 1 1 8 PRO O O -10.394 4.213 -0.354 1.00 . A A . 8 PRO O 1 1 8 6004 1 1 9 PRO C C -9.107 7.005 -1.320 1.00 . A A . 9 PRO C 1 1 8 6005 1 1 9 PRO CA C -8.221 5.936 -0.691 1.00 . A A . 9 PRO CA 1 1 8 6006 1 1 9 PRO CB C -6.748 6.243 -0.960 1.00 . A A . 9 PRO CB 1 1 8 6007 1 1 9 PRO CD C -7.274 4.288 -2.220 1.00 . A A . 9 PRO CD 1 1 8 6008 1 1 9 PRO CG C -6.464 5.555 -2.247 1.00 . A A . 9 PRO CG 1 1 8 6009 1 1 9 PRO HA H -8.402 5.894 0.371 1.00 . A A . 9 PRO HA 1 1 8 6010 1 1 9 PRO HB2 H -6.602 7.311 -1.042 1.00 . A A . 9 PRO HB2 1 1 8 6011 1 1 9 PRO HB3 H -6.141 5.850 -0.159 1.00 . A A . 9 PRO HB3 1 1 8 6012 1 1 9 PRO HD2 H -7.625 4.046 -3.214 1.00 . A A . 9 PRO HD2 1 1 8 6013 1 1 9 PRO HD3 H -6.686 3.477 -1.812 1.00 . A A . 9 PRO HD3 1 1 8 6014 1 1 9 PRO HG2 H -6.771 6.181 -3.073 1.00 . A A . 9 PRO HG2 1 1 8 6015 1 1 9 PRO HG3 H -5.413 5.327 -2.320 1.00 . A A . 9 PRO HG3 1 1 8 6016 1 1 9 PRO N N -8.403 4.625 -1.325 1.00 . A A . 9 PRO N 1 1 8 6017 1 1 9 PRO O O -10.064 6.694 -2.028 1.00 . A A . 9 PRO O 1 1 8 6018 1 1 10 TYR C C -8.636 10.602 -1.846 1.00 . A A . 10 TYR C 1 1 8 6019 1 1 10 TYR CA C -9.530 9.384 -1.625 1.00 . A A . 10 TYR CA 1 1 8 6020 1 1 10 TYR CB C -10.686 9.739 -0.693 1.00 . A A . 10 TYR CB 1 1 8 6021 1 1 10 TYR CD1 C -9.681 9.558 1.620 1.00 . A A . 10 TYR CD1 1 1 8 6022 1 1 10 TYR CD2 C -10.438 11.697 0.888 1.00 . A A . 10 TYR CD2 1 1 8 6023 1 1 10 TYR CE1 C -9.299 10.103 2.832 1.00 . A A . 10 TYR CE1 1 1 8 6024 1 1 10 TYR CE2 C -10.057 12.252 2.097 1.00 . A A . 10 TYR CE2 1 1 8 6025 1 1 10 TYR CG C -10.256 10.344 0.628 1.00 . A A . 10 TYR CG 1 1 8 6026 1 1 10 TYR CZ C -9.489 11.451 3.067 1.00 . A A . 10 TYR CZ 1 1 8 6027 1 1 10 TYR H H -7.998 8.457 -0.510 1.00 . A A . 10 TYR H 1 1 8 6028 1 1 10 TYR HA H -9.931 9.071 -2.581 1.00 . A A . 10 TYR HA 1 1 8 6029 1 1 10 TYR HB2 H -11.332 10.448 -1.186 1.00 . A A . 10 TYR HB2 1 1 8 6030 1 1 10 TYR HB3 H -11.242 8.840 -0.478 1.00 . A A . 10 TYR HB3 1 1 8 6031 1 1 10 TYR HD1 H -9.533 8.505 1.434 1.00 . A A . 10 TYR HD1 1 1 8 6032 1 1 10 TYR HD2 H -10.884 12.322 0.128 1.00 . A A . 10 TYR HD2 1 1 8 6033 1 1 10 TYR HE1 H -8.853 9.475 3.590 1.00 . A A . 10 TYR HE1 1 1 8 6034 1 1 10 TYR HE2 H -10.206 13.306 2.279 1.00 . A A . 10 TYR HE2 1 1 8 6035 1 1 10 TYR HH H -8.466 11.430 4.699 1.00 . A A . 10 TYR HH 1 1 8 6036 1 1 10 TYR N N -8.772 8.269 -1.073 1.00 . A A . 10 TYR N 1 1 8 6037 1 1 10 TYR O O -7.709 10.855 -1.078 1.00 . A A . 10 TYR O 1 1 8 6038 1 1 10 TYR OH O -9.111 11.999 4.272 1.00 . A A . 10 TYR OH 1 1 8 6039 1 1 11 ALA C C -8.981 13.799 -3.027 1.00 . A A . 11 ALA C 1 1 8 6040 1 1 11 ALA CA C -8.153 12.539 -3.245 1.00 . A A . 11 ALA CA 1 1 8 6041 1 1 11 ALA CB C -7.669 12.464 -4.686 1.00 . A A . 11 ALA CB 1 1 8 6042 1 1 11 ALA H H -9.672 11.088 -3.485 1.00 . A A . 11 ALA H 1 1 8 6043 1 1 11 ALA HA H -7.286 12.571 -2.600 1.00 . A A . 11 ALA HA 1 1 8 6044 1 1 11 ALA HB1 H -8.499 12.217 -5.331 1.00 . A A . 11 ALA HB1 1 1 8 6045 1 1 11 ALA HB2 H -6.908 11.703 -4.771 1.00 . A A . 11 ALA HB2 1 1 8 6046 1 1 11 ALA HB3 H -7.259 13.420 -4.978 1.00 . A A . 11 ALA HB3 1 1 8 6047 1 1 11 ALA N N -8.923 11.348 -2.910 1.00 . A A . 11 ALA N 1 1 8 6048 1 1 11 ALA O O -9.987 14.017 -3.703 1.00 . A A . 11 ALA O 1 1 8 6049 1 1 12 GLY C C -9.163 16.239 -0.318 1.00 . A A . 12 GLY C 1 1 8 6050 1 1 12 GLY CA C -9.272 15.853 -1.779 1.00 . A A . 12 GLY CA 1 1 8 6051 1 1 12 GLY H H -7.746 14.395 -1.571 1.00 . A A . 12 GLY H 1 1 8 6052 1 1 12 GLY HA2 H -8.867 16.651 -2.383 1.00 . A A . 12 GLY HA2 1 1 8 6053 1 1 12 GLY HA3 H -10.317 15.721 -2.027 1.00 . A A . 12 GLY HA3 1 1 8 6054 1 1 12 GLY N N -8.554 14.624 -2.078 1.00 . A A . 12 GLY N 1 1 8 6055 1 1 12 GLY O O -9.245 15.383 0.562 1.00 . A A . 12 GLY O 1 1 8 6056 1 1 13 ALA C C -7.643 17.377 1.991 1.00 . A A . 13 ALA C 1 1 8 6057 1 1 13 ALA CA C -8.851 18.010 1.312 1.00 . A A . 13 ALA CA 1 1 8 6058 1 1 13 ALA CB C -10.123 17.713 2.096 1.00 . A A . 13 ALA CB 1 1 8 6059 1 1 13 ALA H H -8.916 18.165 -0.797 1.00 . A A . 13 ALA H 1 1 8 6060 1 1 13 ALA HA H -8.715 19.081 1.278 1.00 . A A . 13 ALA HA 1 1 8 6061 1 1 13 ALA HB1 H -10.928 17.502 1.408 1.00 . A A . 13 ALA HB1 1 1 8 6062 1 1 13 ALA HB2 H -10.381 18.571 2.700 1.00 . A A . 13 ALA HB2 1 1 8 6063 1 1 13 ALA HB3 H -9.962 16.858 2.736 1.00 . A A . 13 ALA HB3 1 1 8 6064 1 1 13 ALA N N -8.975 17.527 -0.056 1.00 . A A . 13 ALA N 1 1 8 6065 1 1 13 ALA O O -7.725 16.912 3.128 1.00 . A A . 13 ALA O 1 1 8 6066 1 1 14 CYS C C -4.102 17.263 0.977 1.00 . A A . 14 CYS C 1 1 8 6067 1 1 14 CYS CA C -5.296 16.766 1.787 1.00 . A A . 14 CYS CA 1 1 8 6068 1 1 14 CYS CB C -5.396 15.243 1.726 1.00 . A A . 14 CYS CB 1 1 8 6069 1 1 14 CYS H H -6.527 17.727 0.366 1.00 . A A . 14 CYS H 1 1 8 6070 1 1 14 CYS HA H -5.174 17.073 2.813 1.00 . A A . 14 CYS HA 1 1 8 6071 1 1 14 CYS HB2 H -6.436 14.962 1.662 1.00 . A A . 14 CYS HB2 1 1 8 6072 1 1 14 CYS HB3 H -4.885 14.895 0.847 1.00 . A A . 14 CYS HB3 1 1 8 6073 1 1 14 CYS N N -6.524 17.352 1.275 1.00 . A A . 14 CYS N 1 1 8 6074 1 1 14 CYS O O -4.270 18.017 0.019 1.00 . A A . 14 CYS O 1 1 8 6075 1 1 14 CYS SG S -4.684 14.379 3.162 1.00 . A A . 14 CYS SG 1 1 8 6076 1 1 15 ARG C C -0.608 16.197 0.718 1.00 . A A . 15 ARG C 1 1 8 6077 1 1 15 ARG CA C -1.683 17.280 0.678 1.00 . A A . 15 ARG CA 1 1 8 6078 1 1 15 ARG CB C -1.138 18.564 1.314 1.00 . A A . 15 ARG CB 1 1 8 6079 1 1 15 ARG CD C -2.759 20.037 2.552 1.00 . A A . 15 ARG CD 1 1 8 6080 1 1 15 ARG CG C -2.082 19.753 1.219 1.00 . A A . 15 ARG CG 1 1 8 6081 1 1 15 ARG CZ C -4.761 21.393 2.065 1.00 . A A . 15 ARG CZ 1 1 8 6082 1 1 15 ARG H H -2.830 16.262 2.150 1.00 . A A . 15 ARG H 1 1 8 6083 1 1 15 ARG HA H -1.938 17.481 -0.351 1.00 . A A . 15 ARG HA 1 1 8 6084 1 1 15 ARG HB2 H -0.936 18.376 2.357 1.00 . A A . 15 ARG HB2 1 1 8 6085 1 1 15 ARG HB3 H -0.214 18.830 0.823 1.00 . A A . 15 ARG HB3 1 1 8 6086 1 1 15 ARG HD2 H -2.587 19.203 3.216 1.00 . A A . 15 ARG HD2 1 1 8 6087 1 1 15 ARG HD3 H -2.325 20.930 2.979 1.00 . A A . 15 ARG HD3 1 1 8 6088 1 1 15 ARG HE H -4.781 19.463 2.572 1.00 . A A . 15 ARG HE 1 1 8 6089 1 1 15 ARG HG2 H -1.518 20.624 0.922 1.00 . A A . 15 ARG HG2 1 1 8 6090 1 1 15 ARG HG3 H -2.837 19.543 0.477 1.00 . A A . 15 ARG HG3 1 1 8 6091 1 1 15 ARG HH11 H -3.012 22.398 1.898 1.00 . A A . 15 ARG HH11 1 1 8 6092 1 1 15 ARG HH12 H -4.436 23.326 1.571 1.00 . A A . 15 ARG HH12 1 1 8 6093 1 1 15 ARG HH21 H -6.651 20.685 2.140 1.00 . A A . 15 ARG HH21 1 1 8 6094 1 1 15 ARG HH22 H -6.501 22.355 1.708 1.00 . A A . 15 ARG HH22 1 1 8 6095 1 1 15 ARG N N -2.901 16.852 1.371 1.00 . A A . 15 ARG N 1 1 8 6096 1 1 15 ARG NE N -4.200 20.234 2.406 1.00 . A A . 15 ARG NE 1 1 8 6097 1 1 15 ARG NH1 N -4.007 22.459 1.825 1.00 . A A . 15 ARG NH1 1 1 8 6098 1 1 15 ARG NH2 N -6.079 21.485 1.963 1.00 . A A . 15 ARG NH2 1 1 8 6099 1 1 15 ARG O O -0.860 15.069 1.140 1.00 . A A . 15 ARG O 1 1 8 6100 1 1 16 ALA C C 2.218 15.305 1.636 1.00 . A A . 16 ALA C 1 1 8 6101 1 1 16 ALA CA C 1.711 15.616 0.235 1.00 . A A . 16 ALA CA 1 1 8 6102 1 1 16 ALA CB C 2.839 16.174 -0.622 1.00 . A A . 16 ALA CB 1 1 8 6103 1 1 16 ALA H H 0.730 17.465 -0.061 1.00 . A A . 16 ALA H 1 1 8 6104 1 1 16 ALA HA H 1.368 14.698 -0.221 1.00 . A A . 16 ALA HA 1 1 8 6105 1 1 16 ALA HB1 H 3.298 15.371 -1.181 1.00 . A A . 16 ALA HB1 1 1 8 6106 1 1 16 ALA HB2 H 3.579 16.638 0.013 1.00 . A A . 16 ALA HB2 1 1 8 6107 1 1 16 ALA HB3 H 2.442 16.908 -1.308 1.00 . A A . 16 ALA HB3 1 1 8 6108 1 1 16 ALA N N 0.594 16.551 0.267 1.00 . A A . 16 ALA N 1 1 8 6109 1 1 16 ALA O O 2.701 16.186 2.348 1.00 . A A . 16 ALA O 1 1 8 6110 1 1 17 ALA C C 2.777 12.070 3.282 1.00 . A A . 17 ALA C 1 1 8 6111 1 1 17 ALA CA C 2.568 13.577 3.303 1.00 . A A . 17 ALA CA 1 1 8 6112 1 1 17 ALA CB C 1.581 13.976 4.391 1.00 . A A . 17 ALA CB 1 1 8 6113 1 1 17 ALA H H 1.745 13.392 1.396 1.00 . A A . 17 ALA H 1 1 8 6114 1 1 17 ALA HA H 3.502 14.055 3.499 1.00 . A A . 17 ALA HA 1 1 8 6115 1 1 17 ALA HB1 H 0.605 13.577 4.155 1.00 . A A . 17 ALA HB1 1 1 8 6116 1 1 17 ALA HB2 H 1.526 15.052 4.450 1.00 . A A . 17 ALA HB2 1 1 8 6117 1 1 17 ALA HB3 H 1.912 13.579 5.339 1.00 . A A . 17 ALA HB3 1 1 8 6118 1 1 17 ALA N N 2.119 14.037 2.012 1.00 . A A . 17 ALA N 1 1 8 6119 1 1 17 ALA O O 2.136 11.328 4.029 1.00 . A A . 17 ALA O 1 1 8 6120 1 1 18 ALA C C 4.572 9.634 3.553 1.00 . A A . 18 ALA C 1 1 8 6121 1 1 18 ALA CA C 3.968 10.200 2.276 1.00 . A A . 18 ALA CA 1 1 8 6122 1 1 18 ALA CB C 4.909 9.965 1.103 1.00 . A A . 18 ALA CB 1 1 8 6123 1 1 18 ALA H H 4.148 12.265 1.841 1.00 . A A . 18 ALA H 1 1 8 6124 1 1 18 ALA HA H 3.039 9.689 2.068 1.00 . A A . 18 ALA HA 1 1 8 6125 1 1 18 ALA HB1 H 4.856 8.930 0.800 1.00 . A A . 18 ALA HB1 1 1 8 6126 1 1 18 ALA HB2 H 5.921 10.201 1.400 1.00 . A A . 18 ALA HB2 1 1 8 6127 1 1 18 ALA HB3 H 4.621 10.598 0.277 1.00 . A A . 18 ALA HB3 1 1 8 6128 1 1 18 ALA N N 3.677 11.622 2.413 1.00 . A A . 18 ALA N 1 1 8 6129 1 1 18 ALA O O 5.435 10.252 4.176 1.00 . A A . 18 ALA O 1 1 8 6130 1 1 19 ALA C C 4.206 6.314 5.148 1.00 . A A . 19 ALA C 1 1 8 6131 1 1 19 ALA CA C 4.594 7.789 5.139 1.00 . A A . 19 ALA CA 1 1 8 6132 1 1 19 ALA CB C 4.053 8.485 6.378 1.00 . A A . 19 ALA CB 1 1 8 6133 1 1 19 ALA H H 3.420 8.011 3.394 1.00 . A A . 19 ALA H 1 1 8 6134 1 1 19 ALA HA H 5.670 7.869 5.151 1.00 . A A . 19 ALA HA 1 1 8 6135 1 1 19 ALA HB1 H 3.959 9.543 6.185 1.00 . A A . 19 ALA HB1 1 1 8 6136 1 1 19 ALA HB2 H 4.732 8.330 7.204 1.00 . A A . 19 ALA HB2 1 1 8 6137 1 1 19 ALA HB3 H 3.085 8.077 6.628 1.00 . A A . 19 ALA HB3 1 1 8 6138 1 1 19 ALA N N 4.108 8.450 3.937 1.00 . A A . 19 ALA N 1 1 8 6139 1 1 19 ALA O O 4.992 5.458 5.556 1.00 . A A . 19 ALA O 1 1 8 6140 1 1 20 ARG C C 2.102 4.251 3.239 1.00 . A A . 20 ARG C 1 1 8 6141 1 1 20 ARG CA C 2.493 4.652 4.658 1.00 . A A . 20 ARG CA 1 1 8 6142 1 1 20 ARG CB C 1.291 4.486 5.596 1.00 . A A . 20 ARG CB 1 1 8 6143 1 1 20 ARG CD C 1.291 4.340 8.112 1.00 . A A . 20 ARG CD 1 1 8 6144 1 1 20 ARG CG C 1.418 5.255 6.905 1.00 . A A . 20 ARG CG 1 1 8 6145 1 1 20 ARG CZ C 2.900 5.010 9.859 1.00 . A A . 20 ARG CZ 1 1 8 6146 1 1 20 ARG H H 2.406 6.750 4.388 1.00 . A A . 20 ARG H 1 1 8 6147 1 1 20 ARG HA H 3.285 4.001 4.991 1.00 . A A . 20 ARG HA 1 1 8 6148 1 1 20 ARG HB2 H 0.401 4.833 5.088 1.00 . A A . 20 ARG HB2 1 1 8 6149 1 1 20 ARG HB3 H 1.179 3.436 5.830 1.00 . A A . 20 ARG HB3 1 1 8 6150 1 1 20 ARG HD2 H 0.536 4.737 8.774 1.00 . A A . 20 ARG HD2 1 1 8 6151 1 1 20 ARG HD3 H 0.991 3.359 7.776 1.00 . A A . 20 ARG HD3 1 1 8 6152 1 1 20 ARG HE H 3.173 3.526 8.557 1.00 . A A . 20 ARG HE 1 1 8 6153 1 1 20 ARG HG2 H 2.383 5.735 6.938 1.00 . A A . 20 ARG HG2 1 1 8 6154 1 1 20 ARG HG3 H 0.640 6.003 6.948 1.00 . A A . 20 ARG HG3 1 1 8 6155 1 1 20 ARG HH11 H 1.215 6.132 9.816 1.00 . A A . 20 ARG HH11 1 1 8 6156 1 1 20 ARG HH12 H 2.363 6.565 11.037 1.00 . A A . 20 ARG HH12 1 1 8 6157 1 1 20 ARG HH21 H 4.680 4.101 10.159 1.00 . A A . 20 ARG HH21 1 1 8 6158 1 1 20 ARG HH22 H 4.329 5.416 11.230 1.00 . A A . 20 ARG HH22 1 1 8 6159 1 1 20 ARG N N 2.987 6.025 4.698 1.00 . A A . 20 ARG N 1 1 8 6160 1 1 20 ARG NE N 2.552 4.225 8.842 1.00 . A A . 20 ARG NE 1 1 8 6161 1 1 20 ARG NH1 N 2.093 5.982 10.270 1.00 . A A . 20 ARG NH1 1 1 8 6162 1 1 20 ARG NH2 N 4.065 4.828 10.466 1.00 . A A . 20 ARG NH2 1 1 8 6163 1 1 20 ARG O O 2.262 5.020 2.292 1.00 . A A . 20 ARG O 1 1 8 6164 1 1 21 TYR C C -0.203 1.885 1.881 1.00 . A A . 21 TYR C 1 1 8 6165 1 1 21 TYR CA C 1.183 2.511 1.802 1.00 . A A . 21 TYR CA 1 1 8 6166 1 1 21 TYR CB C 2.186 1.469 1.306 1.00 . A A . 21 TYR CB 1 1 8 6167 1 1 21 TYR CD1 C 4.377 2.274 2.273 1.00 . A A . 21 TYR CD1 1 1 8 6168 1 1 21 TYR CD2 C 4.152 2.196 -0.099 1.00 . A A . 21 TYR CD2 1 1 8 6169 1 1 21 TYR CE1 C 5.670 2.744 2.137 1.00 . A A . 21 TYR CE1 1 1 8 6170 1 1 21 TYR CE2 C 5.444 2.663 -0.243 1.00 . A A . 21 TYR CE2 1 1 8 6171 1 1 21 TYR CG C 3.597 1.993 1.158 1.00 . A A . 21 TYR CG 1 1 8 6172 1 1 21 TYR CZ C 6.199 2.936 0.878 1.00 . A A . 21 TYR CZ 1 1 8 6173 1 1 21 TYR H H 1.502 2.465 3.897 1.00 . A A . 21 TYR H 1 1 8 6174 1 1 21 TYR HA H 1.155 3.332 1.100 1.00 . A A . 21 TYR HA 1 1 8 6175 1 1 21 TYR HB2 H 2.213 0.645 2.004 1.00 . A A . 21 TYR HB2 1 1 8 6176 1 1 21 TYR HB3 H 1.865 1.103 0.341 1.00 . A A . 21 TYR HB3 1 1 8 6177 1 1 21 TYR HD1 H 3.961 2.123 3.257 1.00 . A A . 21 TYR HD1 1 1 8 6178 1 1 21 TYR HD2 H 3.557 1.983 -0.976 1.00 . A A . 21 TYR HD2 1 1 8 6179 1 1 21 TYR HE1 H 6.262 2.957 3.015 1.00 . A A . 21 TYR HE1 1 1 8 6180 1 1 21 TYR HE2 H 5.856 2.815 -1.230 1.00 . A A . 21 TYR HE2 1 1 8 6181 1 1 21 TYR HH H 7.476 4.231 0.253 1.00 . A A . 21 TYR HH 1 1 8 6182 1 1 21 TYR N N 1.596 3.032 3.102 1.00 . A A . 21 TYR N 1 1 8 6183 1 1 21 TYR O O -0.720 1.634 2.970 1.00 . A A . 21 TYR O 1 1 8 6184 1 1 21 TYR OH O 7.486 3.402 0.739 1.00 . A A . 21 TYR OH 1 1 8 6185 1 1 22 PHE C C -2.195 0.043 -0.517 1.00 . A A . 22 PHE C 1 1 8 6186 1 1 22 PHE CA C -2.116 1.004 0.655 1.00 . A A . 22 PHE CA 1 1 8 6187 1 1 22 PHE CB C -3.215 2.052 0.529 1.00 . A A . 22 PHE CB 1 1 8 6188 1 1 22 PHE CD1 C -2.177 4.111 -0.459 1.00 . A A . 22 PHE CD1 1 1 8 6189 1 1 22 PHE CD2 C -3.645 2.818 -1.820 1.00 . A A . 22 PHE CD2 1 1 8 6190 1 1 22 PHE CE1 C -1.983 4.995 -1.502 1.00 . A A . 22 PHE CE1 1 1 8 6191 1 1 22 PHE CE2 C -3.456 3.700 -2.867 1.00 . A A . 22 PHE CE2 1 1 8 6192 1 1 22 PHE CG C -3.008 3.015 -0.606 1.00 . A A . 22 PHE CG 1 1 8 6193 1 1 22 PHE CZ C -2.624 4.790 -2.708 1.00 . A A . 22 PHE CZ 1 1 8 6194 1 1 22 PHE H H -0.325 1.840 -0.116 1.00 . A A . 22 PHE H 1 1 8 6195 1 1 22 PHE HA H -2.269 0.444 1.568 1.00 . A A . 22 PHE HA 1 1 8 6196 1 1 22 PHE HB2 H -4.156 1.550 0.371 1.00 . A A . 22 PHE HB2 1 1 8 6197 1 1 22 PHE HB3 H -3.267 2.611 1.444 1.00 . A A . 22 PHE HB3 1 1 8 6198 1 1 22 PHE HD1 H -1.675 4.275 0.483 1.00 . A A . 22 PHE HD1 1 1 8 6199 1 1 22 PHE HD2 H -4.296 1.966 -1.945 1.00 . A A . 22 PHE HD2 1 1 8 6200 1 1 22 PHE HE1 H -1.332 5.848 -1.375 1.00 . A A . 22 PHE HE1 1 1 8 6201 1 1 22 PHE HE2 H -3.959 3.536 -3.809 1.00 . A A . 22 PHE HE2 1 1 8 6202 1 1 22 PHE HZ H -2.474 5.480 -3.524 1.00 . A A . 22 PHE HZ 1 1 8 6203 1 1 22 PHE N N -0.794 1.623 0.720 1.00 . A A . 22 PHE N 1 1 8 6204 1 1 22 PHE O O -1.495 0.201 -1.514 1.00 . A A . 22 PHE O 1 1 8 6205 1 1 23 TYR C C -4.244 -1.497 -2.469 1.00 . A A . 23 TYR C 1 1 8 6206 1 1 23 TYR CA C -3.217 -1.956 -1.441 1.00 . A A . 23 TYR CA 1 1 8 6207 1 1 23 TYR CB C -3.632 -3.303 -0.849 1.00 . A A . 23 TYR CB 1 1 8 6208 1 1 23 TYR CD1 C -2.614 -5.082 -2.314 1.00 . A A . 23 TYR CD1 1 1 8 6209 1 1 23 TYR CD2 C -4.968 -4.734 -2.437 1.00 . A A . 23 TYR CD2 1 1 8 6210 1 1 23 TYR CE1 C -2.707 -6.079 -3.267 1.00 . A A . 23 TYR CE1 1 1 8 6211 1 1 23 TYR CE2 C -5.071 -5.732 -3.387 1.00 . A A . 23 TYR CE2 1 1 8 6212 1 1 23 TYR CG C -3.742 -4.394 -1.885 1.00 . A A . 23 TYR CG 1 1 8 6213 1 1 23 TYR CZ C -3.938 -6.400 -3.800 1.00 . A A . 23 TYR CZ 1 1 8 6214 1 1 23 TYR H H -3.580 -1.023 0.436 1.00 . A A . 23 TYR H 1 1 8 6215 1 1 23 TYR HA H -2.257 -2.081 -1.936 1.00 . A A . 23 TYR HA 1 1 8 6216 1 1 23 TYR HB2 H -2.892 -3.614 -0.122 1.00 . A A . 23 TYR HB2 1 1 8 6217 1 1 23 TYR HB3 H -4.593 -3.198 -0.366 1.00 . A A . 23 TYR HB3 1 1 8 6218 1 1 23 TYR HD1 H -1.652 -4.829 -1.894 1.00 . A A . 23 TYR HD1 1 1 8 6219 1 1 23 TYR HD2 H -5.854 -4.207 -2.113 1.00 . A A . 23 TYR HD2 1 1 8 6220 1 1 23 TYR HE1 H -1.819 -6.602 -3.588 1.00 . A A . 23 TYR HE1 1 1 8 6221 1 1 23 TYR HE2 H -6.035 -5.984 -3.805 1.00 . A A . 23 TYR HE2 1 1 8 6222 1 1 23 TYR HH H -3.191 -7.840 -4.844 1.00 . A A . 23 TYR HH 1 1 8 6223 1 1 23 TYR N N -3.049 -0.957 -0.386 1.00 . A A . 23 TYR N 1 1 8 6224 1 1 23 TYR O O -5.246 -0.871 -2.125 1.00 . A A . 23 TYR O 1 1 8 6225 1 1 23 TYR OH O -4.038 -7.394 -4.750 1.00 . A A . 23 TYR OH 1 1 8 6226 1 1 24 ASN C C -5.501 -2.694 -5.459 1.00 . A A . 24 ASN C 1 1 8 6227 1 1 24 ASN CA C -4.890 -1.451 -4.819 1.00 . A A . 24 ASN CA 1 1 8 6228 1 1 24 ASN CB C -4.125 -0.639 -5.865 1.00 . A A . 24 ASN CB 1 1 8 6229 1 1 24 ASN CG C -5.020 -0.130 -6.975 1.00 . A A . 24 ASN CG 1 1 8 6230 1 1 24 ASN H H -3.178 -2.329 -3.936 1.00 . A A . 24 ASN H 1 1 8 6231 1 1 24 ASN HA H -5.683 -0.840 -4.411 1.00 . A A . 24 ASN HA 1 1 8 6232 1 1 24 ASN HB2 H -3.662 0.214 -5.384 1.00 . A A . 24 ASN HB2 1 1 8 6233 1 1 24 ASN HB3 H -3.358 -1.260 -6.306 1.00 . A A . 24 ASN HB3 1 1 8 6234 1 1 24 ASN HD21 H -3.770 1.379 -7.313 1.00 . A A . 24 ASN HD21 1 1 8 6235 1 1 24 ASN HD22 H -5.174 1.314 -8.327 1.00 . A A . 24 ASN HD22 1 1 8 6236 1 1 24 ASN N N -3.992 -1.822 -3.731 1.00 . A A . 24 ASN N 1 1 8 6237 1 1 24 ASN ND2 N -4.616 0.965 -7.601 1.00 . A A . 24 ASN ND2 1 1 8 6238 1 1 24 ASN O O -4.850 -3.380 -6.240 1.00 . A A . 24 ASN O 1 1 8 6239 1 1 24 ASN OD1 O -6.060 -0.717 -7.266 1.00 . A A . 24 ASN OD1 1 1 8 6240 1 1 25 ALA C C -7.483 -4.148 -7.177 1.00 . A A . 25 ALA C 1 1 8 6241 1 1 25 ALA CA C -7.444 -4.152 -5.650 1.00 . A A . 25 ALA CA 1 1 8 6242 1 1 25 ALA CB C -8.856 -4.223 -5.090 1.00 . A A . 25 ALA CB 1 1 8 6243 1 1 25 ALA H H -7.220 -2.400 -4.483 1.00 . A A . 25 ALA H 1 1 8 6244 1 1 25 ALA HA H -6.910 -5.033 -5.318 1.00 . A A . 25 ALA HA 1 1 8 6245 1 1 25 ALA HB1 H -9.515 -3.621 -5.698 1.00 . A A . 25 ALA HB1 1 1 8 6246 1 1 25 ALA HB2 H -8.862 -3.849 -4.077 1.00 . A A . 25 ALA HB2 1 1 8 6247 1 1 25 ALA HB3 H -9.197 -5.247 -5.098 1.00 . A A . 25 ALA HB3 1 1 8 6248 1 1 25 ALA N N -6.752 -2.983 -5.117 1.00 . A A . 25 ALA N 1 1 8 6249 1 1 25 ALA O O -7.563 -5.202 -7.807 1.00 . A A . 25 ALA O 1 1 8 6250 1 1 26 LYS C C -6.092 -2.920 -9.860 1.00 . A A . 26 LYS C 1 1 8 6251 1 1 26 LYS CA C -7.481 -2.823 -9.223 1.00 . A A . 26 LYS CA 1 1 8 6252 1 1 26 LYS CB C -8.133 -1.492 -9.602 1.00 . A A . 26 LYS CB 1 1 8 6253 1 1 26 LYS CD C -8.751 -2.144 -11.950 1.00 . A A . 26 LYS CD 1 1 8 6254 1 1 26 LYS CE C -9.800 -1.998 -13.041 1.00 . A A . 26 LYS CE 1 1 8 6255 1 1 26 LYS CG C -9.261 -1.633 -10.611 1.00 . A A . 26 LYS CG 1 1 8 6256 1 1 26 LYS H H -7.377 -2.152 -7.216 1.00 . A A . 26 LYS H 1 1 8 6257 1 1 26 LYS HA H -8.093 -3.627 -9.609 1.00 . A A . 26 LYS HA 1 1 8 6258 1 1 26 LYS HB2 H -8.535 -1.034 -8.710 1.00 . A A . 26 LYS HB2 1 1 8 6259 1 1 26 LYS HB3 H -7.382 -0.840 -10.023 1.00 . A A . 26 LYS HB3 1 1 8 6260 1 1 26 LYS HD2 H -7.874 -1.579 -12.228 1.00 . A A . 26 LYS HD2 1 1 8 6261 1 1 26 LYS HD3 H -8.492 -3.187 -11.849 1.00 . A A . 26 LYS HD3 1 1 8 6262 1 1 26 LYS HE2 H -10.657 -1.481 -12.635 1.00 . A A . 26 LYS HE2 1 1 8 6263 1 1 26 LYS HE3 H -9.380 -1.417 -13.849 1.00 . A A . 26 LYS HE3 1 1 8 6264 1 1 26 LYS HG2 H -9.990 -2.330 -10.226 1.00 . A A . 26 LYS HG2 1 1 8 6265 1 1 26 LYS HG3 H -9.724 -0.668 -10.757 1.00 . A A . 26 LYS HG3 1 1 8 6266 1 1 26 LYS HZ1 H -11.226 -3.268 -13.888 1.00 . A A . 26 LYS HZ1 1 1 8 6267 1 1 26 LYS HZ2 H -10.161 -4.045 -12.829 1.00 . A A . 26 LYS HZ2 1 1 8 6268 1 1 26 LYS HZ3 H -9.640 -3.597 -14.375 1.00 . A A . 26 LYS HZ3 1 1 8 6269 1 1 26 LYS N N -7.434 -2.959 -7.769 1.00 . A A . 26 LYS N 1 1 8 6270 1 1 26 LYS NZ N -10.238 -3.320 -13.570 1.00 . A A . 26 LYS NZ 1 1 8 6271 1 1 26 LYS O O -5.976 -3.070 -11.076 1.00 . A A . 26 LYS O 1 1 8 6272 1 1 27 ALA C C -2.945 -4.138 -9.048 1.00 . A A . 27 ALA C 1 1 8 6273 1 1 27 ALA CA C -3.676 -2.901 -9.563 1.00 . A A . 27 ALA CA 1 1 8 6274 1 1 27 ALA CB C -2.907 -1.642 -9.197 1.00 . A A . 27 ALA CB 1 1 8 6275 1 1 27 ALA H H -5.185 -2.706 -8.086 1.00 . A A . 27 ALA H 1 1 8 6276 1 1 27 ALA HA H -3.732 -2.956 -10.641 1.00 . A A . 27 ALA HA 1 1 8 6277 1 1 27 ALA HB1 H -3.100 -0.876 -9.933 1.00 . A A . 27 ALA HB1 1 1 8 6278 1 1 27 ALA HB2 H -1.850 -1.860 -9.173 1.00 . A A . 27 ALA HB2 1 1 8 6279 1 1 27 ALA HB3 H -3.224 -1.296 -8.226 1.00 . A A . 27 ALA HB3 1 1 8 6280 1 1 27 ALA N N -5.042 -2.828 -9.048 1.00 . A A . 27 ALA N 1 1 8 6281 1 1 27 ALA O O -1.890 -4.503 -9.565 1.00 . A A . 27 ALA O 1 1 8 6282 1 1 28 GLY C C -1.681 -5.671 -6.611 1.00 . A A . 28 GLY C 1 1 8 6283 1 1 28 GLY CA C -2.904 -5.958 -7.467 1.00 . A A . 28 GLY CA 1 1 8 6284 1 1 28 GLY H H -4.340 -4.453 -7.659 1.00 . A A . 28 GLY H 1 1 8 6285 1 1 28 GLY HA2 H -3.638 -6.472 -6.866 1.00 . A A . 28 GLY HA2 1 1 8 6286 1 1 28 GLY HA3 H -2.622 -6.588 -8.278 1.00 . A A . 28 GLY HA3 1 1 8 6287 1 1 28 GLY N N -3.508 -4.778 -8.028 1.00 . A A . 28 GLY N 1 1 8 6288 1 1 28 GLY O O -1.140 -6.575 -5.974 1.00 . A A . 28 GLY O 1 1 8 6289 1 1 29 LEU C C -0.410 -2.835 -4.905 1.00 . A A . 29 LEU C 1 1 8 6290 1 1 29 LEU CA C -0.080 -4.023 -5.805 1.00 . A A . 29 LEU CA 1 1 8 6291 1 1 29 LEU CB C 1.088 -3.669 -6.728 1.00 . A A . 29 LEU CB 1 1 8 6292 1 1 29 LEU CD1 C 1.502 -5.320 -8.572 1.00 . A A . 29 LEU CD1 1 1 8 6293 1 1 29 LEU CD2 C 3.411 -4.499 -7.180 1.00 . A A . 29 LEU CD2 1 1 8 6294 1 1 29 LEU CG C 1.933 -4.860 -7.187 1.00 . A A . 29 LEU CG 1 1 8 6295 1 1 29 LEU H H -1.715 -3.742 -7.116 1.00 . A A . 29 LEU H 1 1 8 6296 1 1 29 LEU HA H 0.200 -4.861 -5.187 1.00 . A A . 29 LEU HA 1 1 8 6297 1 1 29 LEU HB2 H 0.690 -3.177 -7.604 1.00 . A A . 29 LEU HB2 1 1 8 6298 1 1 29 LEU HB3 H 1.733 -2.977 -6.209 1.00 . A A . 29 LEU HB3 1 1 8 6299 1 1 29 LEU HD11 H 0.503 -4.963 -8.775 1.00 . A A . 29 LEU HD11 1 1 8 6300 1 1 29 LEU HD12 H 1.515 -6.399 -8.614 1.00 . A A . 29 LEU HD12 1 1 8 6301 1 1 29 LEU HD13 H 2.183 -4.923 -9.311 1.00 . A A . 29 LEU HD13 1 1 8 6302 1 1 29 LEU HD21 H 3.562 -3.584 -7.734 1.00 . A A . 29 LEU HD21 1 1 8 6303 1 1 29 LEU HD22 H 3.979 -5.296 -7.638 1.00 . A A . 29 LEU HD22 1 1 8 6304 1 1 29 LEU HD23 H 3.744 -4.362 -6.162 1.00 . A A . 29 LEU HD23 1 1 8 6305 1 1 29 LEU HG H 1.785 -5.682 -6.503 1.00 . A A . 29 LEU HG 1 1 8 6306 1 1 29 LEU N N -1.245 -4.417 -6.591 1.00 . A A . 29 LEU N 1 1 8 6307 1 1 29 LEU O O -1.518 -2.298 -4.950 1.00 . A A . 29 LEU O 1 1 8 6308 1 1 30 CYS C C 1.010 -0.042 -3.721 1.00 . A A . 30 CYS C 1 1 8 6309 1 1 30 CYS CA C 0.357 -1.304 -3.182 1.00 . A A . 30 CYS CA 1 1 8 6310 1 1 30 CYS CB C 0.909 -1.604 -1.793 1.00 . A A . 30 CYS CB 1 1 8 6311 1 1 30 CYS H H 1.417 -2.894 -4.094 1.00 . A A . 30 CYS H 1 1 8 6312 1 1 30 CYS HA H -0.704 -1.133 -3.105 1.00 . A A . 30 CYS HA 1 1 8 6313 1 1 30 CYS HB2 H 1.941 -1.292 -1.752 1.00 . A A . 30 CYS HB2 1 1 8 6314 1 1 30 CYS HB3 H 0.342 -1.040 -1.069 1.00 . A A . 30 CYS HB3 1 1 8 6315 1 1 30 CYS N N 0.556 -2.429 -4.088 1.00 . A A . 30 CYS N 1 1 8 6316 1 1 30 CYS O O 1.791 -0.083 -4.671 1.00 . A A . 30 CYS O 1 1 8 6317 1 1 30 CYS SG S 0.829 -3.360 -1.310 1.00 . A A . 30 CYS SG 1 1 8 6318 1 1 31 GLN C C 1.285 3.339 -2.332 1.00 . A A . 31 GLN C 1 1 8 6319 1 1 31 GLN CA C 1.227 2.367 -3.504 1.00 . A A . 31 GLN CA 1 1 8 6320 1 1 31 GLN CB C 0.390 2.965 -4.635 1.00 . A A . 31 GLN CB 1 1 8 6321 1 1 31 GLN CD C 1.601 4.054 -6.569 1.00 . A A . 31 GLN CD 1 1 8 6322 1 1 31 GLN CG C 0.965 4.251 -5.204 1.00 . A A . 31 GLN CG 1 1 8 6323 1 1 31 GLN H H 0.060 1.040 -2.339 1.00 . A A . 31 GLN H 1 1 8 6324 1 1 31 GLN HA H 2.229 2.199 -3.864 1.00 . A A . 31 GLN HA 1 1 8 6325 1 1 31 GLN HB2 H 0.321 2.243 -5.435 1.00 . A A . 31 GLN HB2 1 1 8 6326 1 1 31 GLN HB3 H -0.601 3.172 -4.262 1.00 . A A . 31 GLN HB3 1 1 8 6327 1 1 31 GLN HE21 H 3.407 3.946 -5.745 1.00 . A A . 31 GLN HE21 1 1 8 6328 1 1 31 GLN HE22 H 3.356 3.785 -7.464 1.00 . A A . 31 GLN HE22 1 1 8 6329 1 1 31 GLN HG2 H 0.169 4.975 -5.296 1.00 . A A . 31 GLN HG2 1 1 8 6330 1 1 31 GLN HG3 H 1.716 4.627 -4.523 1.00 . A A . 31 GLN HG3 1 1 8 6331 1 1 31 GLN N N 0.680 1.081 -3.098 1.00 . A A . 31 GLN N 1 1 8 6332 1 1 31 GLN NE2 N 2.921 3.914 -6.595 1.00 . A A . 31 GLN NE2 1 1 8 6333 1 1 31 GLN O O 0.398 3.347 -1.472 1.00 . A A . 31 GLN O 1 1 8 6334 1 1 31 GLN OE1 O 0.910 4.028 -7.588 1.00 . A A . 31 GLN OE1 1 1 8 6335 1 1 32 THR C C 1.571 6.382 -1.549 1.00 . A A . 32 THR C 1 1 8 6336 1 1 32 THR CA C 2.470 5.179 -1.274 1.00 . A A . 32 THR CA 1 1 8 6337 1 1 32 THR CB C 3.939 5.609 -1.147 1.00 . A A . 32 THR CB 1 1 8 6338 1 1 32 THR CG2 C 4.258 6.932 -1.816 1.00 . A A . 32 THR CG2 1 1 8 6339 1 1 32 THR H H 2.975 4.134 -3.043 1.00 . A A . 32 THR H 1 1 8 6340 1 1 32 THR HA H 2.154 4.732 -0.345 1.00 . A A . 32 THR HA 1 1 8 6341 1 1 32 THR HB H 4.561 4.851 -1.602 1.00 . A A . 32 THR HB 1 1 8 6342 1 1 32 THR HG1 H 3.945 4.986 0.711 1.00 . A A . 32 THR HG1 1 1 8 6343 1 1 32 THR HG21 H 4.084 6.849 -2.879 1.00 . A A . 32 THR HG21 1 1 8 6344 1 1 32 THR HG22 H 5.293 7.182 -1.639 1.00 . A A . 32 THR HG22 1 1 8 6345 1 1 32 THR HG23 H 3.626 7.705 -1.406 1.00 . A A . 32 THR HG23 1 1 8 6346 1 1 32 THR N N 2.316 4.177 -2.319 1.00 . A A . 32 THR N 1 1 8 6347 1 1 32 THR O O 1.359 6.763 -2.700 1.00 . A A . 32 THR O 1 1 8 6348 1 1 32 THR OG1 O 4.309 5.724 0.216 1.00 . A A . 32 THR OG1 1 1 8 6349 1 1 33 PHE C C 0.880 9.296 -1.348 1.00 . A A . 33 PHE C 1 1 8 6350 1 1 33 PHE CA C 0.188 8.151 -0.608 1.00 . A A . 33 PHE CA 1 1 8 6351 1 1 33 PHE CB C -0.261 8.617 0.779 1.00 . A A . 33 PHE CB 1 1 8 6352 1 1 33 PHE CD1 C -0.493 6.533 2.154 1.00 . A A . 33 PHE CD1 1 1 8 6353 1 1 33 PHE CD2 C -2.474 7.677 1.485 1.00 . A A . 33 PHE CD2 1 1 8 6354 1 1 33 PHE CE1 C -1.257 5.578 2.797 1.00 . A A . 33 PHE CE1 1 1 8 6355 1 1 33 PHE CE2 C -3.242 6.722 2.122 1.00 . A A . 33 PHE CE2 1 1 8 6356 1 1 33 PHE CG C -1.093 7.593 1.494 1.00 . A A . 33 PHE CG 1 1 8 6357 1 1 33 PHE CZ C -2.633 5.672 2.780 1.00 . A A . 33 PHE CZ 1 1 8 6358 1 1 33 PHE H H 1.281 6.646 0.405 1.00 . A A . 33 PHE H 1 1 8 6359 1 1 33 PHE HA H -0.686 7.844 -1.170 1.00 . A A . 33 PHE HA 1 1 8 6360 1 1 33 PHE HB2 H 0.609 8.825 1.385 1.00 . A A . 33 PHE HB2 1 1 8 6361 1 1 33 PHE HB3 H -0.850 9.515 0.678 1.00 . A A . 33 PHE HB3 1 1 8 6362 1 1 33 PHE HD1 H 0.583 6.460 2.171 1.00 . A A . 33 PHE HD1 1 1 8 6363 1 1 33 PHE HD2 H -2.952 8.499 0.974 1.00 . A A . 33 PHE HD2 1 1 8 6364 1 1 33 PHE HE1 H -0.776 4.758 3.311 1.00 . A A . 33 PHE HE1 1 1 8 6365 1 1 33 PHE HE2 H -4.320 6.799 2.109 1.00 . A A . 33 PHE HE2 1 1 8 6366 1 1 33 PHE HZ H -3.233 4.924 3.277 1.00 . A A . 33 PHE HZ 1 1 8 6367 1 1 33 PHE N N 1.063 6.988 -0.486 1.00 . A A . 33 PHE N 1 1 8 6368 1 1 33 PHE O O 2.033 9.627 -1.065 1.00 . A A . 33 PHE O 1 1 8 6369 1 1 34 ALA C C -0.435 11.756 -3.788 1.00 . A A . 34 ALA C 1 1 8 6370 1 1 34 ALA CA C 0.689 11.015 -3.068 1.00 . A A . 34 ALA CA 1 1 8 6371 1 1 34 ALA CB C 1.723 10.517 -4.067 1.00 . A A . 34 ALA CB 1 1 8 6372 1 1 34 ALA H H -0.756 9.595 -2.459 1.00 . A A . 34 ALA H 1 1 8 6373 1 1 34 ALA HA H 1.179 11.696 -2.388 1.00 . A A . 34 ALA HA 1 1 8 6374 1 1 34 ALA HB1 H 1.964 11.307 -4.761 1.00 . A A . 34 ALA HB1 1 1 8 6375 1 1 34 ALA HB2 H 1.323 9.672 -4.607 1.00 . A A . 34 ALA HB2 1 1 8 6376 1 1 34 ALA HB3 H 2.617 10.215 -3.540 1.00 . A A . 34 ALA HB3 1 1 8 6377 1 1 34 ALA N N 0.159 9.902 -2.288 1.00 . A A . 34 ALA N 1 1 8 6378 1 1 34 ALA O O -1.582 11.310 -3.790 1.00 . A A . 34 ALA O 1 1 8 6379 1 1 35 TYR C C -2.269 14.026 -4.204 1.00 . A A . 35 TYR C 1 1 8 6380 1 1 35 TYR CA C -1.095 13.691 -5.117 1.00 . A A . 35 TYR CA 1 1 8 6381 1 1 35 TYR CB C -1.588 12.945 -6.358 1.00 . A A . 35 TYR CB 1 1 8 6382 1 1 35 TYR CD1 C -3.022 14.806 -7.282 1.00 . A A . 35 TYR CD1 1 1 8 6383 1 1 35 TYR CD2 C -1.434 13.779 -8.734 1.00 . A A . 35 TYR CD2 1 1 8 6384 1 1 35 TYR CE1 C -3.419 15.647 -8.305 1.00 . A A . 35 TYR CE1 1 1 8 6385 1 1 35 TYR CE2 C -1.825 14.617 -9.761 1.00 . A A . 35 TYR CE2 1 1 8 6386 1 1 35 TYR CG C -2.024 13.860 -7.479 1.00 . A A . 35 TYR CG 1 1 8 6387 1 1 35 TYR CZ C -2.818 15.548 -9.543 1.00 . A A . 35 TYR CZ 1 1 8 6388 1 1 35 TYR H H 0.826 13.200 -4.363 1.00 . A A . 35 TYR H 1 1 8 6389 1 1 35 TYR HA H -0.622 14.614 -5.422 1.00 . A A . 35 TYR HA 1 1 8 6390 1 1 35 TYR HB2 H -0.793 12.320 -6.732 1.00 . A A . 35 TYR HB2 1 1 8 6391 1 1 35 TYR HB3 H -2.431 12.325 -6.088 1.00 . A A . 35 TYR HB3 1 1 8 6392 1 1 35 TYR HD1 H -3.490 14.882 -6.312 1.00 . A A . 35 TYR HD1 1 1 8 6393 1 1 35 TYR HD2 H -0.657 13.049 -8.903 1.00 . A A . 35 TYR HD2 1 1 8 6394 1 1 35 TYR HE1 H -4.197 16.376 -8.133 1.00 . A A . 35 TYR HE1 1 1 8 6395 1 1 35 TYR HE2 H -1.354 14.538 -10.730 1.00 . A A . 35 TYR HE2 1 1 8 6396 1 1 35 TYR HH H -3.438 17.244 -10.205 1.00 . A A . 35 TYR HH 1 1 8 6397 1 1 35 TYR N N -0.103 12.891 -4.399 1.00 . A A . 35 TYR N 1 1 8 6398 1 1 35 TYR O O -3.409 13.639 -4.459 1.00 . A A . 35 TYR O 1 1 8 6399 1 1 35 TYR OH O -3.210 16.383 -10.564 1.00 . A A . 35 TYR OH 1 1 8 6400 1 1 36 GLY C C -3.814 14.030 -1.642 1.00 . A A . 36 GLY C 1 1 8 6401 1 1 36 GLY CA C -2.967 15.170 -2.193 1.00 . A A . 36 GLY CA 1 1 8 6402 1 1 36 GLY H H -1.058 15.051 -3.014 1.00 . A A . 36 GLY H 1 1 8 6403 1 1 36 GLY HA2 H -2.471 15.656 -1.371 1.00 . A A . 36 GLY HA2 1 1 8 6404 1 1 36 GLY HA3 H -3.603 15.881 -2.671 1.00 . A A . 36 GLY HA3 1 1 8 6405 1 1 36 GLY N N -1.970 14.763 -3.143 1.00 . A A . 36 GLY N 1 1 8 6406 1 1 36 GLY O O -4.750 14.275 -0.889 1.00 . A A . 36 GLY O 1 1 8 6407 1 1 37 ALA C C -4.113 11.517 0.032 1.00 . A A . 37 ALA C 1 1 8 6408 1 1 37 ALA CA C -4.249 11.644 -1.481 1.00 . A A . 37 ALA CA 1 1 8 6409 1 1 37 ALA CB C -3.801 10.361 -2.164 1.00 . A A . 37 ALA CB 1 1 8 6410 1 1 37 ALA H H -2.720 12.626 -2.570 1.00 . A A . 37 ALA H 1 1 8 6411 1 1 37 ALA HA H -5.289 11.809 -1.723 1.00 . A A . 37 ALA HA 1 1 8 6412 1 1 37 ALA HB1 H -4.019 10.419 -3.220 1.00 . A A . 37 ALA HB1 1 1 8 6413 1 1 37 ALA HB2 H -4.329 9.521 -1.734 1.00 . A A . 37 ALA HB2 1 1 8 6414 1 1 37 ALA HB3 H -2.738 10.229 -2.021 1.00 . A A . 37 ALA HB3 1 1 8 6415 1 1 37 ALA N N -3.488 12.785 -1.984 1.00 . A A . 37 ALA N 1 1 8 6416 1 1 37 ALA O O -3.004 11.466 0.566 1.00 . A A . 37 ALA O 1 1 8 6417 1 1 38 CYS C C -5.168 9.896 2.620 1.00 . A A . 38 CYS C 1 1 8 6418 1 1 38 CYS CA C -5.266 11.351 2.175 1.00 . A A . 38 CYS CA 1 1 8 6419 1 1 38 CYS CB C -6.542 11.979 2.747 1.00 . A A . 38 CYS CB 1 1 8 6420 1 1 38 CYS H H -6.101 11.513 0.235 1.00 . A A . 38 CYS H 1 1 8 6421 1 1 38 CYS HA H -4.411 11.885 2.558 1.00 . A A . 38 CYS HA 1 1 8 6422 1 1 38 CYS HB2 H -7.145 12.366 1.937 1.00 . A A . 38 CYS HB2 1 1 8 6423 1 1 38 CYS HB3 H -7.102 11.214 3.265 1.00 . A A . 38 CYS HB3 1 1 8 6424 1 1 38 CYS N N -5.251 11.468 0.719 1.00 . A A . 38 CYS N 1 1 8 6425 1 1 38 CYS O O -5.196 8.977 1.802 1.00 . A A . 38 CYS O 1 1 8 6426 1 1 38 CYS SG S -6.255 13.342 3.930 1.00 . A A . 38 CYS SG 1 1 8 6427 1 1 39 ALA C C -6.299 7.629 4.439 1.00 . A A . 39 ALA C 1 1 8 6428 1 1 39 ALA CA C -4.965 8.367 4.508 1.00 . A A . 39 ALA CA 1 1 8 6429 1 1 39 ALA CB C -4.475 8.452 5.948 1.00 . A A . 39 ALA CB 1 1 8 6430 1 1 39 ALA H H -5.049 10.480 4.526 1.00 . A A . 39 ALA H 1 1 8 6431 1 1 39 ALA HA H -4.237 7.815 3.943 1.00 . A A . 39 ALA HA 1 1 8 6432 1 1 39 ALA HB1 H -5.213 8.018 6.607 1.00 . A A . 39 ALA HB1 1 1 8 6433 1 1 39 ALA HB2 H -4.320 9.487 6.215 1.00 . A A . 39 ALA HB2 1 1 8 6434 1 1 39 ALA HB3 H -3.546 7.912 6.044 1.00 . A A . 39 ALA HB3 1 1 8 6435 1 1 39 ALA N N -5.060 9.702 3.931 1.00 . A A . 39 ALA N 1 1 8 6436 1 1 39 ALA O O -7.332 8.154 4.853 1.00 . A A . 39 ALA O 1 1 8 6437 1 1 40 ALA C C -7.899 5.086 5.195 1.00 . A A . 40 ALA C 1 1 8 6438 1 1 40 ALA CA C -7.473 5.589 3.819 1.00 . A A . 40 ALA CA 1 1 8 6439 1 1 40 ALA CB C -7.245 4.419 2.874 1.00 . A A . 40 ALA CB 1 1 8 6440 1 1 40 ALA H H -5.413 6.033 3.618 1.00 . A A . 40 ALA H 1 1 8 6441 1 1 40 ALA HA H -8.259 6.208 3.411 1.00 . A A . 40 ALA HA 1 1 8 6442 1 1 40 ALA HB1 H -6.341 3.899 3.157 1.00 . A A . 40 ALA HB1 1 1 8 6443 1 1 40 ALA HB2 H -7.147 4.786 1.863 1.00 . A A . 40 ALA HB2 1 1 8 6444 1 1 40 ALA HB3 H -8.083 3.739 2.931 1.00 . A A . 40 ALA HB3 1 1 8 6445 1 1 40 ALA N N -6.268 6.402 3.925 1.00 . A A . 40 ALA N 1 1 8 6446 1 1 40 ALA O O -7.127 5.149 6.151 1.00 . A A . 40 ALA O 1 1 8 6447 1 1 41 LYS C C -8.815 2.891 7.056 1.00 . A A . 41 LYS C 1 1 8 6448 1 1 41 LYS CA C -9.637 4.085 6.566 1.00 . A A . 41 LYS CA 1 1 8 6449 1 1 41 LYS CB C -11.120 3.708 6.445 1.00 . A A . 41 LYS CB 1 1 8 6450 1 1 41 LYS CD C -13.443 4.265 7.221 1.00 . A A . 41 LYS CD 1 1 8 6451 1 1 41 LYS CE C -14.209 5.253 8.086 1.00 . A A . 41 LYS CE 1 1 8 6452 1 1 41 LYS CG C -11.970 4.224 7.594 1.00 . A A . 41 LYS CG 1 1 8 6453 1 1 41 LYS H H -9.704 4.565 4.503 1.00 . A A . 41 LYS H 1 1 8 6454 1 1 41 LYS HA H -9.544 4.882 7.291 1.00 . A A . 41 LYS HA 1 1 8 6455 1 1 41 LYS HB2 H -11.510 4.116 5.525 1.00 . A A . 41 LYS HB2 1 1 8 6456 1 1 41 LYS HB3 H -11.211 2.632 6.418 1.00 . A A . 41 LYS HB3 1 1 8 6457 1 1 41 LYS HD2 H -13.535 4.561 6.187 1.00 . A A . 41 LYS HD2 1 1 8 6458 1 1 41 LYS HD3 H -13.866 3.281 7.355 1.00 . A A . 41 LYS HD3 1 1 8 6459 1 1 41 LYS HE2 H -13.973 5.064 9.123 1.00 . A A . 41 LYS HE2 1 1 8 6460 1 1 41 LYS HE3 H -13.901 6.256 7.824 1.00 . A A . 41 LYS HE3 1 1 8 6461 1 1 41 LYS HG2 H -11.843 3.572 8.445 1.00 . A A . 41 LYS HG2 1 1 8 6462 1 1 41 LYS HG3 H -11.644 5.222 7.849 1.00 . A A . 41 LYS HG3 1 1 8 6463 1 1 41 LYS HZ1 H -16.081 4.479 8.599 1.00 . A A . 41 LYS HZ1 1 1 8 6464 1 1 41 LYS HZ2 H -15.891 4.772 6.944 1.00 . A A . 41 LYS HZ2 1 1 8 6465 1 1 41 LYS HZ3 H -16.134 6.063 8.009 1.00 . A A . 41 LYS HZ3 1 1 8 6466 1 1 41 LYS N N -9.128 4.590 5.295 1.00 . A A . 41 LYS N 1 1 8 6467 1 1 41 LYS NZ N -15.682 5.134 7.896 1.00 . A A . 41 LYS NZ 1 1 8 6468 1 1 41 LYS O O -7.944 3.041 7.912 1.00 . A A . 41 LYS O 1 1 8 6469 1 1 42 ARG C C -7.218 0.191 6.003 1.00 . A A . 42 ARG C 1 1 8 6470 1 1 42 ARG CA C -8.398 0.491 6.923 1.00 . A A . 42 ARG CA 1 1 8 6471 1 1 42 ARG CB C -9.356 -0.704 6.952 1.00 . A A . 42 ARG CB 1 1 8 6472 1 1 42 ARG CD C -11.648 -0.903 5.929 1.00 . A A . 42 ARG CD 1 1 8 6473 1 1 42 ARG CG C -10.147 -0.896 5.668 1.00 . A A . 42 ARG CG 1 1 8 6474 1 1 42 ARG CZ C -13.592 -2.340 5.447 1.00 . A A . 42 ARG CZ 1 1 8 6475 1 1 42 ARG H H -9.811 1.641 5.856 1.00 . A A . 42 ARG H 1 1 8 6476 1 1 42 ARG HA H -8.023 0.652 7.921 1.00 . A A . 42 ARG HA 1 1 8 6477 1 1 42 ARG HB2 H -8.785 -1.604 7.135 1.00 . A A . 42 ARG HB2 1 1 8 6478 1 1 42 ARG HB3 H -10.055 -0.566 7.764 1.00 . A A . 42 ARG HB3 1 1 8 6479 1 1 42 ARG HD2 H -11.816 -0.984 6.992 1.00 . A A . 42 ARG HD2 1 1 8 6480 1 1 42 ARG HD3 H -12.069 0.024 5.568 1.00 . A A . 42 ARG HD3 1 1 8 6481 1 1 42 ARG HE H -11.781 -2.557 4.639 1.00 . A A . 42 ARG HE 1 1 8 6482 1 1 42 ARG HG2 H -9.914 -0.093 4.985 1.00 . A A . 42 ARG HG2 1 1 8 6483 1 1 42 ARG HG3 H -9.866 -1.839 5.225 1.00 . A A . 42 ARG HG3 1 1 8 6484 1 1 42 ARG HH11 H -13.954 -0.856 6.774 1.00 . A A . 42 ARG HH11 1 1 8 6485 1 1 42 ARG HH12 H -15.306 -1.878 6.418 1.00 . A A . 42 ARG HH12 1 1 8 6486 1 1 42 ARG HH21 H -13.557 -3.905 4.168 1.00 . A A . 42 ARG HH21 1 1 8 6487 1 1 42 ARG HH22 H -15.080 -3.611 4.938 1.00 . A A . 42 ARG HH22 1 1 8 6488 1 1 42 ARG N N -9.104 1.704 6.524 1.00 . A A . 42 ARG N 1 1 8 6489 1 1 42 ARG NE N -12.314 -2.019 5.260 1.00 . A A . 42 ARG NE 1 1 8 6490 1 1 42 ARG NH1 N -14.345 -1.633 6.281 1.00 . A A . 42 ARG NH1 1 1 8 6491 1 1 42 ARG NH2 N -14.119 -3.369 4.798 1.00 . A A . 42 ARG NH2 1 1 8 6492 1 1 42 ARG O O -6.284 -0.512 6.391 1.00 . A A . 42 ARG O 1 1 8 6493 1 1 43 ASN C C -5.003 1.282 4.110 1.00 . A A . 43 ASN C 1 1 8 6494 1 1 43 ASN CA C -6.234 0.436 3.796 1.00 . A A . 43 ASN CA 1 1 8 6495 1 1 43 ASN CB C -6.754 0.782 2.401 1.00 . A A . 43 ASN CB 1 1 8 6496 1 1 43 ASN CG C -6.461 -0.320 1.425 1.00 . A A . 43 ASN CG 1 1 8 6497 1 1 43 ASN H H -8.066 1.193 4.494 1.00 . A A . 43 ASN H 1 1 8 6498 1 1 43 ASN HA H -5.972 -0.608 3.835 1.00 . A A . 43 ASN HA 1 1 8 6499 1 1 43 ASN HB2 H -7.823 0.928 2.444 1.00 . A A . 43 ASN HB2 1 1 8 6500 1 1 43 ASN HB3 H -6.281 1.687 2.053 1.00 . A A . 43 ASN HB3 1 1 8 6501 1 1 43 ASN HD21 H -7.648 -1.481 2.503 1.00 . A A . 43 ASN HD21 1 1 8 6502 1 1 43 ASN HD22 H -6.924 -2.225 1.107 1.00 . A A . 43 ASN HD22 1 1 8 6503 1 1 43 ASN N N -7.281 0.686 4.770 1.00 . A A . 43 ASN N 1 1 8 6504 1 1 43 ASN ND2 N -7.069 -1.459 1.701 1.00 . A A . 43 ASN ND2 1 1 8 6505 1 1 43 ASN O O -4.785 2.331 3.505 1.00 . A A . 43 ASN O 1 1 8 6506 1 1 43 ASN OD1 O -5.723 -0.156 0.452 1.00 . A A . 43 ASN OD1 1 1 8 6507 1 1 44 ASN C C -1.991 0.627 6.133 1.00 . A A . 44 ASN C 1 1 8 6508 1 1 44 ASN CA C -3.015 1.556 5.489 1.00 . A A . 44 ASN CA 1 1 8 6509 1 1 44 ASN CB C -3.377 2.665 6.477 1.00 . A A . 44 ASN CB 1 1 8 6510 1 1 44 ASN CG C -4.395 3.643 5.922 1.00 . A A . 44 ASN CG 1 1 8 6511 1 1 44 ASN H H -4.449 -0.002 5.540 1.00 . A A . 44 ASN H 1 1 8 6512 1 1 44 ASN HA H -2.579 2.004 4.610 1.00 . A A . 44 ASN HA 1 1 8 6513 1 1 44 ASN HB2 H -3.785 2.221 7.372 1.00 . A A . 44 ASN HB2 1 1 8 6514 1 1 44 ASN HB3 H -2.482 3.212 6.729 1.00 . A A . 44 ASN HB3 1 1 8 6515 1 1 44 ASN HD21 H -3.015 5.075 5.857 1.00 . A A . 44 ASN HD21 1 1 8 6516 1 1 44 ASN HD22 H -4.593 5.526 5.316 1.00 . A A . 44 ASN HD22 1 1 8 6517 1 1 44 ASN N N -4.214 0.830 5.080 1.00 . A A . 44 ASN N 1 1 8 6518 1 1 44 ASN ND2 N -3.957 4.872 5.673 1.00 . A A . 44 ASN ND2 1 1 8 6519 1 1 44 ASN O O -2.153 0.219 7.283 1.00 . A A . 44 ASN O 1 1 8 6520 1 1 44 ASN OD1 O -5.560 3.303 5.725 1.00 . A A . 44 ASN OD1 1 1 8 6521 1 1 45 PHE C C 1.336 0.294 6.320 1.00 . A A . 45 PHE C 1 1 8 6522 1 1 45 PHE CA C 0.128 -0.550 5.927 1.00 . A A . 45 PHE CA 1 1 8 6523 1 1 45 PHE CB C 0.518 -1.600 4.888 1.00 . A A . 45 PHE CB 1 1 8 6524 1 1 45 PHE CD1 C -0.745 -3.673 5.526 1.00 . A A . 45 PHE CD1 1 1 8 6525 1 1 45 PHE CD2 C -1.413 -2.501 3.558 1.00 . A A . 45 PHE CD2 1 1 8 6526 1 1 45 PHE CE1 C -1.748 -4.601 5.317 1.00 . A A . 45 PHE CE1 1 1 8 6527 1 1 45 PHE CE2 C -2.419 -3.425 3.346 1.00 . A A . 45 PHE CE2 1 1 8 6528 1 1 45 PHE CG C -0.565 -2.615 4.649 1.00 . A A . 45 PHE CG 1 1 8 6529 1 1 45 PHE CZ C -2.586 -4.475 4.227 1.00 . A A . 45 PHE CZ 1 1 8 6530 1 1 45 PHE H H -0.830 0.671 4.496 1.00 . A A . 45 PHE H 1 1 8 6531 1 1 45 PHE HA H -0.256 -1.050 6.807 1.00 . A A . 45 PHE HA 1 1 8 6532 1 1 45 PHE HB2 H 0.732 -1.110 3.946 1.00 . A A . 45 PHE HB2 1 1 8 6533 1 1 45 PHE HB3 H 1.400 -2.124 5.228 1.00 . A A . 45 PHE HB3 1 1 8 6534 1 1 45 PHE HD1 H -0.090 -3.772 6.378 1.00 . A A . 45 PHE HD1 1 1 8 6535 1 1 45 PHE HD2 H -1.282 -1.681 2.868 1.00 . A A . 45 PHE HD2 1 1 8 6536 1 1 45 PHE HE1 H -1.879 -5.420 6.007 1.00 . A A . 45 PHE HE1 1 1 8 6537 1 1 45 PHE HE2 H -3.074 -3.325 2.493 1.00 . A A . 45 PHE HE2 1 1 8 6538 1 1 45 PHE HZ H -3.370 -5.198 4.062 1.00 . A A . 45 PHE HZ 1 1 8 6539 1 1 45 PHE N N -0.922 0.311 5.402 1.00 . A A . 45 PHE N 1 1 8 6540 1 1 45 PHE O O 1.674 1.262 5.635 1.00 . A A . 45 PHE O 1 1 8 6541 1 1 46 LYS C C 4.273 0.674 6.927 1.00 . A A . 46 LYS C 1 1 8 6542 1 1 46 LYS CA C 3.121 0.691 7.927 1.00 . A A . 46 LYS CA 1 1 8 6543 1 1 46 LYS CB C 3.586 0.130 9.272 1.00 . A A . 46 LYS CB 1 1 8 6544 1 1 46 LYS CD C 4.551 0.624 11.545 1.00 . A A . 46 LYS CD 1 1 8 6545 1 1 46 LYS CE C 3.742 0.901 12.802 1.00 . A A . 46 LYS CE 1 1 8 6546 1 1 46 LYS CG C 3.881 1.205 10.308 1.00 . A A . 46 LYS CG 1 1 8 6547 1 1 46 LYS H H 1.638 -0.823 7.950 1.00 . A A . 46 LYS H 1 1 8 6548 1 1 46 LYS HA H 2.808 1.713 8.068 1.00 . A A . 46 LYS HA 1 1 8 6549 1 1 46 LYS HB2 H 2.815 -0.516 9.666 1.00 . A A . 46 LYS HB2 1 1 8 6550 1 1 46 LYS HB3 H 4.485 -0.448 9.119 1.00 . A A . 46 LYS HB3 1 1 8 6551 1 1 46 LYS HD2 H 4.651 -0.445 11.422 1.00 . A A . 46 LYS HD2 1 1 8 6552 1 1 46 LYS HD3 H 5.530 1.067 11.653 1.00 . A A . 46 LYS HD3 1 1 8 6553 1 1 46 LYS HE2 H 2.748 0.500 12.670 1.00 . A A . 46 LYS HE2 1 1 8 6554 1 1 46 LYS HE3 H 4.219 0.409 13.637 1.00 . A A . 46 LYS HE3 1 1 8 6555 1 1 46 LYS HG2 H 4.537 1.942 9.870 1.00 . A A . 46 LYS HG2 1 1 8 6556 1 1 46 LYS HG3 H 2.953 1.674 10.599 1.00 . A A . 46 LYS HG3 1 1 8 6557 1 1 46 LYS HZ1 H 3.915 2.548 14.078 1.00 . A A . 46 LYS HZ1 1 1 8 6558 1 1 46 LYS HZ2 H 2.664 2.685 12.949 1.00 . A A . 46 LYS HZ2 1 1 8 6559 1 1 46 LYS HZ3 H 4.270 2.896 12.460 1.00 . A A . 46 LYS HZ3 1 1 8 6560 1 1 46 LYS N N 1.966 -0.056 7.436 1.00 . A A . 46 LYS N 1 1 8 6561 1 1 46 LYS NZ N 3.640 2.359 13.092 1.00 . A A . 46 LYS NZ 1 1 8 6562 1 1 46 LYS O O 5.210 1.467 7.037 1.00 . A A . 46 LYS O 1 1 8 6563 1 1 47 SER C C 4.800 -1.175 3.770 1.00 . A A . 47 SER C 1 1 8 6564 1 1 47 SER CA C 5.256 -0.331 4.948 1.00 . A A . 47 SER CA 1 1 8 6565 1 1 47 SER CB C 6.520 -0.944 5.558 1.00 . A A . 47 SER CB 1 1 8 6566 1 1 47 SER H H 3.444 -0.837 5.913 1.00 . A A . 47 SER H 1 1 8 6567 1 1 47 SER HA H 5.482 0.665 4.599 1.00 . A A . 47 SER HA 1 1 8 6568 1 1 47 SER HB2 H 6.906 -1.705 4.891 1.00 . A A . 47 SER HB2 1 1 8 6569 1 1 47 SER HB3 H 7.260 -0.176 5.692 1.00 . A A . 47 SER HB3 1 1 8 6570 1 1 47 SER HG H 5.667 -2.297 6.692 1.00 . A A . 47 SER HG 1 1 8 6571 1 1 47 SER N N 4.209 -0.227 5.954 1.00 . A A . 47 SER N 1 1 8 6572 1 1 47 SER O O 3.944 -2.049 3.912 1.00 . A A . 47 SER O 1 1 8 6573 1 1 47 SER OG O 6.248 -1.543 6.814 1.00 . A A . 47 SER OG 1 1 8 6574 1 1 48 ALA C C 5.295 -3.170 1.692 1.00 . A A . 48 ALA C 1 1 8 6575 1 1 48 ALA CA C 5.046 -1.702 1.421 1.00 . A A . 48 ALA CA 1 1 8 6576 1 1 48 ALA CB C 5.840 -1.228 0.212 1.00 . A A . 48 ALA CB 1 1 8 6577 1 1 48 ALA H H 6.082 -0.238 2.546 1.00 . A A . 48 ALA H 1 1 8 6578 1 1 48 ALA HA H 3.988 -1.558 1.226 1.00 . A A . 48 ALA HA 1 1 8 6579 1 1 48 ALA HB1 H 6.248 -2.082 -0.309 1.00 . A A . 48 ALA HB1 1 1 8 6580 1 1 48 ALA HB2 H 6.645 -0.587 0.539 1.00 . A A . 48 ALA HB2 1 1 8 6581 1 1 48 ALA HB3 H 5.191 -0.679 -0.453 1.00 . A A . 48 ALA HB3 1 1 8 6582 1 1 48 ALA N N 5.392 -0.933 2.605 1.00 . A A . 48 ALA N 1 1 8 6583 1 1 48 ALA O O 4.510 -4.027 1.296 1.00 . A A . 48 ALA O 1 1 8 6584 1 1 49 GLU C C 5.526 -5.358 3.611 1.00 . A A . 49 GLU C 1 1 8 6585 1 1 49 GLU CA C 6.682 -4.817 2.786 1.00 . A A . 49 GLU CA 1 1 8 6586 1 1 49 GLU CB C 7.985 -4.882 3.585 1.00 . A A . 49 GLU CB 1 1 8 6587 1 1 49 GLU CD C 10.485 -5.242 3.527 1.00 . A A . 49 GLU CD 1 1 8 6588 1 1 49 GLU CG C 9.228 -4.991 2.717 1.00 . A A . 49 GLU CG 1 1 8 6589 1 1 49 GLU H H 6.942 -2.724 2.737 1.00 . A A . 49 GLU H 1 1 8 6590 1 1 49 GLU HA H 6.780 -5.400 1.881 1.00 . A A . 49 GLU HA 1 1 8 6591 1 1 49 GLU HB2 H 8.070 -3.988 4.186 1.00 . A A . 49 GLU HB2 1 1 8 6592 1 1 49 GLU HB3 H 7.951 -5.741 4.238 1.00 . A A . 49 GLU HB3 1 1 8 6593 1 1 49 GLU HG2 H 9.096 -5.809 2.024 1.00 . A A . 49 GLU HG2 1 1 8 6594 1 1 49 GLU HG3 H 9.350 -4.070 2.167 1.00 . A A . 49 GLU HG3 1 1 8 6595 1 1 49 GLU N N 6.371 -3.452 2.417 1.00 . A A . 49 GLU N 1 1 8 6596 1 1 49 GLU O O 5.146 -6.523 3.491 1.00 . A A . 49 GLU O 1 1 8 6597 1 1 49 GLU OE1 O 10.427 -6.052 4.476 1.00 . A A . 49 GLU OE1 1 1 8 6598 1 1 49 GLU OE2 O 11.526 -4.629 3.212 1.00 . A A . 49 GLU OE2 1 1 8 6599 1 1 50 ASP C C 2.586 -5.115 4.404 1.00 . A A . 50 ASP C 1 1 8 6600 1 1 50 ASP CA C 3.816 -4.837 5.267 1.00 . A A . 50 ASP CA 1 1 8 6601 1 1 50 ASP CB C 3.516 -3.728 6.279 1.00 . A A . 50 ASP CB 1 1 8 6602 1 1 50 ASP CG C 4.024 -4.064 7.668 1.00 . A A . 50 ASP CG 1 1 8 6603 1 1 50 ASP H H 5.299 -3.555 4.468 1.00 . A A . 50 ASP H 1 1 8 6604 1 1 50 ASP HA H 4.073 -5.739 5.804 1.00 . A A . 50 ASP HA 1 1 8 6605 1 1 50 ASP HB2 H 3.990 -2.814 5.956 1.00 . A A . 50 ASP HB2 1 1 8 6606 1 1 50 ASP HB3 H 2.447 -3.576 6.333 1.00 . A A . 50 ASP HB3 1 1 8 6607 1 1 50 ASP N N 4.953 -4.478 4.435 1.00 . A A . 50 ASP N 1 1 8 6608 1 1 50 ASP O O 1.922 -6.136 4.575 1.00 . A A . 50 ASP O 1 1 8 6609 1 1 50 ASP OD1 O 5.235 -4.331 7.808 1.00 . A A . 50 ASP OD1 1 1 8 6610 1 1 50 ASP OD2 O 3.210 -4.061 8.616 1.00 . A A . 50 ASP OD2 1 1 8 6611 1 1 51 CYS C C 1.291 -5.625 1.738 1.00 . A A . 51 CYS C 1 1 8 6612 1 1 51 CYS CA C 1.127 -4.377 2.596 1.00 . A A . 51 CYS CA 1 1 8 6613 1 1 51 CYS CB C 0.961 -3.144 1.705 1.00 . A A . 51 CYS CB 1 1 8 6614 1 1 51 CYS H H 2.842 -3.394 3.372 1.00 . A A . 51 CYS H 1 1 8 6615 1 1 51 CYS HA H 0.245 -4.493 3.212 1.00 . A A . 51 CYS HA 1 1 8 6616 1 1 51 CYS HB2 H 0.667 -2.303 2.316 1.00 . A A . 51 CYS HB2 1 1 8 6617 1 1 51 CYS HB3 H 1.909 -2.925 1.231 1.00 . A A . 51 CYS HB3 1 1 8 6618 1 1 51 CYS N N 2.281 -4.203 3.474 1.00 . A A . 51 CYS N 1 1 8 6619 1 1 51 CYS O O 0.439 -6.513 1.745 1.00 . A A . 51 CYS O 1 1 8 6620 1 1 51 CYS SG S -0.283 -3.331 0.388 1.00 . A A . 51 CYS SG 1 1 8 6621 1 1 52 LEU C C 2.546 -8.141 0.907 1.00 . A A . 52 LEU C 1 1 8 6622 1 1 52 LEU CA C 2.672 -6.829 0.139 1.00 . A A . 52 LEU CA 1 1 8 6623 1 1 52 LEU CB C 4.071 -6.713 -0.468 1.00 . A A . 52 LEU CB 1 1 8 6624 1 1 52 LEU CD1 C 5.678 -5.486 -1.950 1.00 . A A . 52 LEU CD1 1 1 8 6625 1 1 52 LEU CD2 C 3.366 -5.989 -2.760 1.00 . A A . 52 LEU CD2 1 1 8 6626 1 1 52 LEU CG C 4.219 -5.643 -1.549 1.00 . A A . 52 LEU CG 1 1 8 6627 1 1 52 LEU H H 3.038 -4.956 1.044 1.00 . A A . 52 LEU H 1 1 8 6628 1 1 52 LEU HA H 1.942 -6.817 -0.658 1.00 . A A . 52 LEU HA 1 1 8 6629 1 1 52 LEU HB2 H 4.770 -6.494 0.327 1.00 . A A . 52 LEU HB2 1 1 8 6630 1 1 52 LEU HB3 H 4.332 -7.667 -0.900 1.00 . A A . 52 LEU HB3 1 1 8 6631 1 1 52 LEU HD11 H 5.916 -6.197 -2.727 1.00 . A A . 52 LEU HD11 1 1 8 6632 1 1 52 LEU HD12 H 6.308 -5.665 -1.091 1.00 . A A . 52 LEU HD12 1 1 8 6633 1 1 52 LEU HD13 H 5.845 -4.483 -2.315 1.00 . A A . 52 LEU HD13 1 1 8 6634 1 1 52 LEU HD21 H 3.209 -7.058 -2.797 1.00 . A A . 52 LEU HD21 1 1 8 6635 1 1 52 LEU HD22 H 3.869 -5.668 -3.660 1.00 . A A . 52 LEU HD22 1 1 8 6636 1 1 52 LEU HD23 H 2.412 -5.489 -2.684 1.00 . A A . 52 LEU HD23 1 1 8 6637 1 1 52 LEU HG H 3.877 -4.696 -1.158 1.00 . A A . 52 LEU HG 1 1 8 6638 1 1 52 LEU N N 2.396 -5.691 1.004 1.00 . A A . 52 LEU N 1 1 8 6639 1 1 52 LEU O O 1.823 -9.045 0.497 1.00 . A A . 52 LEU O 1 1 8 6640 1 1 53 ARG C C 1.758 -9.752 3.271 1.00 . A A . 53 ARG C 1 1 8 6641 1 1 53 ARG CA C 3.190 -9.445 2.849 1.00 . A A . 53 ARG CA 1 1 8 6642 1 1 53 ARG CB C 4.072 -9.288 4.089 1.00 . A A . 53 ARG CB 1 1 8 6643 1 1 53 ARG CD C 6.084 -10.683 4.681 1.00 . A A . 53 ARG CD 1 1 8 6644 1 1 53 ARG CG C 5.548 -9.543 3.826 1.00 . A A . 53 ARG CG 1 1 8 6645 1 1 53 ARG CZ C 7.092 -10.719 6.934 1.00 . A A . 53 ARG CZ 1 1 8 6646 1 1 53 ARG H H 3.795 -7.484 2.323 1.00 . A A . 53 ARG H 1 1 8 6647 1 1 53 ARG HA H 3.564 -10.264 2.252 1.00 . A A . 53 ARG HA 1 1 8 6648 1 1 53 ARG HB2 H 3.963 -8.284 4.470 1.00 . A A . 53 ARG HB2 1 1 8 6649 1 1 53 ARG HB3 H 3.735 -9.986 4.842 1.00 . A A . 53 ARG HB3 1 1 8 6650 1 1 53 ARG HD2 H 5.253 -11.176 5.159 1.00 . A A . 53 ARG HD2 1 1 8 6651 1 1 53 ARG HD3 H 6.598 -11.383 4.041 1.00 . A A . 53 ARG HD3 1 1 8 6652 1 1 53 ARG HE H 7.605 -9.467 5.468 1.00 . A A . 53 ARG HE 1 1 8 6653 1 1 53 ARG HG2 H 5.679 -9.796 2.784 1.00 . A A . 53 ARG HG2 1 1 8 6654 1 1 53 ARG HG3 H 6.103 -8.643 4.052 1.00 . A A . 53 ARG HG3 1 1 8 6655 1 1 53 ARG HH11 H 5.652 -12.114 6.657 1.00 . A A . 53 ARG HH11 1 1 8 6656 1 1 53 ARG HH12 H 6.379 -12.101 8.226 1.00 . A A . 53 ARG HH12 1 1 8 6657 1 1 53 ARG HH21 H 8.558 -9.463 7.531 1.00 . A A . 53 ARG HH21 1 1 8 6658 1 1 53 ARG HH22 H 8.025 -10.601 8.722 1.00 . A A . 53 ARG HH22 1 1 8 6659 1 1 53 ARG N N 3.241 -8.238 2.033 1.00 . A A . 53 ARG N 1 1 8 6660 1 1 53 ARG NE N 7.010 -10.208 5.707 1.00 . A A . 53 ARG NE 1 1 8 6661 1 1 53 ARG NH1 N 6.309 -11.728 7.302 1.00 . A A . 53 ARG NH1 1 1 8 6662 1 1 53 ARG NH2 N 7.963 -10.220 7.800 1.00 . A A . 53 ARG NH2 1 1 8 6663 1 1 53 ARG O O 1.365 -10.915 3.370 1.00 . A A . 53 ARG O 1 1 8 6664 1 1 54 THR C C -1.327 -9.153 2.755 1.00 . A A . 54 THR C 1 1 8 6665 1 1 54 THR CA C -0.406 -8.865 3.940 1.00 . A A . 54 THR CA 1 1 8 6666 1 1 54 THR CB C -0.886 -7.618 4.685 1.00 . A A . 54 THR CB 1 1 8 6667 1 1 54 THR CG2 C -2.243 -7.796 5.330 1.00 . A A . 54 THR CG2 1 1 8 6668 1 1 54 THR H H 1.350 -7.801 3.427 1.00 . A A . 54 THR H 1 1 8 6669 1 1 54 THR HA H -0.446 -9.706 4.617 1.00 . A A . 54 THR HA 1 1 8 6670 1 1 54 THR HB H -0.954 -6.796 3.987 1.00 . A A . 54 THR HB 1 1 8 6671 1 1 54 THR HG1 H -0.209 -6.414 6.074 1.00 . A A . 54 THR HG1 1 1 8 6672 1 1 54 THR HG21 H -2.940 -7.089 4.904 1.00 . A A . 54 THR HG21 1 1 8 6673 1 1 54 THR HG22 H -2.162 -7.626 6.394 1.00 . A A . 54 THR HG22 1 1 8 6674 1 1 54 THR HG23 H -2.598 -8.801 5.153 1.00 . A A . 54 THR HG23 1 1 8 6675 1 1 54 THR N N 0.981 -8.704 3.521 1.00 . A A . 54 THR N 1 1 8 6676 1 1 54 THR O O -1.847 -10.260 2.621 1.00 . A A . 54 THR O 1 1 8 6677 1 1 54 THR OG1 O 0.033 -7.265 5.705 1.00 . A A . 54 THR OG1 1 1 8 6678 1 1 55 CYS C C -1.674 -8.625 -0.524 1.00 . A A . 55 CYS C 1 1 8 6679 1 1 55 CYS CA C -2.431 -8.306 0.763 1.00 . A A . 55 CYS CA 1 1 8 6680 1 1 55 CYS CB C -3.268 -7.045 0.562 1.00 . A A . 55 CYS CB 1 1 8 6681 1 1 55 CYS H H -1.129 -7.279 2.075 1.00 . A A . 55 CYS H 1 1 8 6682 1 1 55 CYS HA H -3.090 -9.123 0.986 1.00 . A A . 55 CYS HA 1 1 8 6683 1 1 55 CYS HB2 H -3.662 -6.727 1.515 1.00 . A A . 55 CYS HB2 1 1 8 6684 1 1 55 CYS HB3 H -2.641 -6.265 0.156 1.00 . A A . 55 CYS HB3 1 1 8 6685 1 1 55 CYS N N -1.548 -8.147 1.910 1.00 . A A . 55 CYS N 1 1 8 6686 1 1 55 CYS O O -2.246 -9.188 -1.459 1.00 . A A . 55 CYS O 1 1 8 6687 1 1 55 CYS SG S -4.674 -7.271 -0.569 1.00 . A A . 55 CYS SG 1 1 8 6688 1 1 56 GLY C C 0.246 -9.946 -2.284 1.00 . A A . 56 GLY C 1 1 8 6689 1 1 56 GLY CA C 0.396 -8.525 -1.772 1.00 . A A . 56 GLY CA 1 1 8 6690 1 1 56 GLY H H 0.014 -7.818 0.193 1.00 . A A . 56 GLY H 1 1 8 6691 1 1 56 GLY HA2 H 0.088 -7.840 -2.549 1.00 . A A . 56 GLY HA2 1 1 8 6692 1 1 56 GLY HA3 H 1.438 -8.346 -1.548 1.00 . A A . 56 GLY HA3 1 1 8 6693 1 1 56 GLY N N -0.398 -8.265 -0.579 1.00 . A A . 56 GLY N 1 1 8 6694 1 1 56 GLY O O 0.893 -10.865 -1.780 1.00 . A A . 56 GLY O 1 1 8 6695 1 1 57 GLY C C -0.800 -11.427 -5.374 1.00 . A A . 57 GLY C 1 1 8 6696 1 1 57 GLY CA C -0.820 -11.445 -3.859 1.00 . A A . 57 GLY CA 1 1 8 6697 1 1 57 GLY H H -1.088 -9.354 -3.652 1.00 . A A . 57 GLY H 1 1 8 6698 1 1 57 GLY HA2 H -0.043 -12.114 -3.509 1.00 . A A . 57 GLY HA2 1 1 8 6699 1 1 57 GLY HA3 H -1.777 -11.817 -3.526 1.00 . A A . 57 GLY HA3 1 1 8 6700 1 1 57 GLY N N -0.604 -10.125 -3.289 1.00 . A A . 57 GLY N 1 1 8 6701 1 1 57 GLY O O -0.407 -10.432 -5.983 1.00 . A A . 57 GLY O 1 1 8 6702 1 1 58 ALA C C 0.038 -12.114 -8.072 1.00 . A A . 58 ALA C 1 1 8 6703 1 1 58 ALA CA C -1.247 -12.648 -7.441 1.00 . A A . 58 ALA CA 1 1 8 6704 1 1 58 ALA CB C -2.457 -11.915 -8.002 1.00 . A A . 58 ALA CB 1 1 8 6705 1 1 58 ALA H H -1.514 -13.293 -5.441 1.00 . A A . 58 ALA H 1 1 8 6706 1 1 58 ALA HA H -1.348 -13.694 -7.688 1.00 . A A . 58 ALA HA 1 1 8 6707 1 1 58 ALA HB1 H -3.085 -11.581 -7.189 1.00 . A A . 58 ALA HB1 1 1 8 6708 1 1 58 ALA HB2 H -3.019 -12.581 -8.640 1.00 . A A . 58 ALA HB2 1 1 8 6709 1 1 58 ALA HB3 H -2.129 -11.060 -8.576 1.00 . A A . 58 ALA HB3 1 1 8 6710 1 1 58 ALA N N -1.219 -12.532 -5.985 1.00 . A A . 58 ALA N 1 1 8 6711 1 1 58 ALA O O 0.036 -11.864 -9.295 1.00 . A A . 58 ALA O 1 1 8 6712 1 1 58 ALA OXT O 1.034 -11.950 -7.335 1.00 . A A . 58 ALA OXT 1 1 9 6713 1 1 1 ARG C C -8.976 -10.221 0.395 1.00 . A A . 1 ARG C 1 1 9 6714 1 1 1 ARG CA C -8.272 -10.976 -0.730 1.00 . A A . 1 ARG CA 1 1 9 6715 1 1 1 ARG CB C -8.131 -10.076 -1.959 1.00 . A A . 1 ARG CB 1 1 9 6716 1 1 1 ARG CD C -8.837 -11.057 -4.163 1.00 . A A . 1 ARG CD 1 1 9 6717 1 1 1 ARG CG C -7.678 -10.814 -3.209 1.00 . A A . 1 ARG CG 1 1 9 6718 1 1 1 ARG CZ C -8.600 -9.306 -5.881 1.00 . A A . 1 ARG CZ 1 1 9 6719 1 1 1 ARG H1 H -9.345 -12.661 -0.243 1.00 . A A . 1 ARG H1 1 1 9 6720 1 1 1 ARG H2 H -8.396 -12.804 -1.666 1.00 . A A . 1 ARG H2 1 1 9 6721 1 1 1 ARG H3 H -9.848 -11.889 -1.688 1.00 . A A . 1 ARG H3 1 1 9 6722 1 1 1 ARG HA H -7.292 -11.276 -0.396 1.00 . A A . 1 ARG HA 1 1 9 6723 1 1 1 ARG HB2 H -9.085 -9.615 -2.165 1.00 . A A . 1 ARG HB2 1 1 9 6724 1 1 1 ARG HB3 H -7.407 -9.305 -1.742 1.00 . A A . 1 ARG HB3 1 1 9 6725 1 1 1 ARG HD2 H -8.531 -11.784 -4.902 1.00 . A A . 1 ARG HD2 1 1 9 6726 1 1 1 ARG HD3 H -9.673 -11.446 -3.603 1.00 . A A . 1 ARG HD3 1 1 9 6727 1 1 1 ARG HE H -10.056 -9.383 -4.518 1.00 . A A . 1 ARG HE 1 1 9 6728 1 1 1 ARG HG2 H -6.929 -10.222 -3.714 1.00 . A A . 1 ARG HG2 1 1 9 6729 1 1 1 ARG HG3 H -7.254 -11.765 -2.921 1.00 . A A . 1 ARG HG3 1 1 9 6730 1 1 1 ARG HH11 H -7.160 -10.725 -5.928 1.00 . A A . 1 ARG HH11 1 1 9 6731 1 1 1 ARG HH12 H -7.018 -9.485 -7.128 1.00 . A A . 1 ARG HH12 1 1 9 6732 1 1 1 ARG HH21 H -9.871 -7.750 -6.094 1.00 . A A . 1 ARG HH21 1 1 9 6733 1 1 1 ARG HH22 H -8.558 -7.795 -7.222 1.00 . A A . 1 ARG HH22 1 1 9 6734 1 1 1 ARG N N -9.034 -12.192 -1.116 1.00 . A A . 1 ARG N 1 1 9 6735 1 1 1 ARG NE N -9.250 -9.834 -4.846 1.00 . A A . 1 ARG NE 1 1 9 6736 1 1 1 ARG NH1 N -7.503 -9.886 -6.351 1.00 . A A . 1 ARG NH1 1 1 9 6737 1 1 1 ARG NH2 N -9.047 -8.192 -6.445 1.00 . A A . 1 ARG NH2 1 1 9 6738 1 1 1 ARG O O -10.205 -10.201 0.462 1.00 . A A . 1 ARG O 1 1 9 6739 1 1 2 PRO C C -9.639 -7.666 1.934 1.00 . A A . 2 PRO C 1 1 9 6740 1 1 2 PRO CA C -8.781 -8.837 2.416 1.00 . A A . 2 PRO CA 1 1 9 6741 1 1 2 PRO CB C -7.565 -8.342 3.208 1.00 . A A . 2 PRO CB 1 1 9 6742 1 1 2 PRO CD C -6.735 -9.562 1.303 1.00 . A A . 2 PRO CD 1 1 9 6743 1 1 2 PRO CG C -6.391 -9.116 2.696 1.00 . A A . 2 PRO CG 1 1 9 6744 1 1 2 PRO HA H -9.384 -9.477 3.043 1.00 . A A . 2 PRO HA 1 1 9 6745 1 1 2 PRO HB2 H -7.438 -7.284 3.045 1.00 . A A . 2 PRO HB2 1 1 9 6746 1 1 2 PRO HB3 H -7.724 -8.533 4.262 1.00 . A A . 2 PRO HB3 1 1 9 6747 1 1 2 PRO HD2 H -6.360 -8.858 0.576 1.00 . A A . 2 PRO HD2 1 1 9 6748 1 1 2 PRO HD3 H -6.333 -10.547 1.116 1.00 . A A . 2 PRO HD3 1 1 9 6749 1 1 2 PRO HG2 H -5.514 -8.482 2.678 1.00 . A A . 2 PRO HG2 1 1 9 6750 1 1 2 PRO HG3 H -6.219 -9.973 3.330 1.00 . A A . 2 PRO HG3 1 1 9 6751 1 1 2 PRO N N -8.207 -9.589 1.299 1.00 . A A . 2 PRO N 1 1 9 6752 1 1 2 PRO O O -9.261 -6.939 1.017 1.00 . A A . 2 PRO O 1 1 9 6753 1 1 3 ASP C C -11.092 -5.080 2.065 1.00 . A A . 3 ASP C 1 1 9 6754 1 1 3 ASP CA C -11.754 -6.454 2.175 1.00 . A A . 3 ASP CA 1 1 9 6755 1 1 3 ASP CB C -12.891 -6.395 3.198 1.00 . A A . 3 ASP CB 1 1 9 6756 1 1 3 ASP CG C -14.213 -6.871 2.625 1.00 . A A . 3 ASP CG 1 1 9 6757 1 1 3 ASP H H -11.058 -8.141 3.252 1.00 . A A . 3 ASP H 1 1 9 6758 1 1 3 ASP HA H -12.170 -6.709 1.211 1.00 . A A . 3 ASP HA 1 1 9 6759 1 1 3 ASP HB2 H -12.640 -7.022 4.040 1.00 . A A . 3 ASP HB2 1 1 9 6760 1 1 3 ASP HB3 H -13.011 -5.376 3.537 1.00 . A A . 3 ASP HB3 1 1 9 6761 1 1 3 ASP N N -10.810 -7.512 2.543 1.00 . A A . 3 ASP N 1 1 9 6762 1 1 3 ASP O O -11.164 -4.433 1.021 1.00 . A A . 3 ASP O 1 1 9 6763 1 1 3 ASP OD1 O -14.461 -8.095 2.644 1.00 . A A . 3 ASP OD1 1 1 9 6764 1 1 3 ASP OD2 O -15.001 -6.019 2.163 1.00 . A A . 3 ASP OD2 1 1 9 6765 1 1 4 PHE C C -8.908 -3.089 1.992 1.00 . A A . 4 PHE C 1 1 9 6766 1 1 4 PHE CA C -9.838 -3.309 3.182 1.00 . A A . 4 PHE CA 1 1 9 6767 1 1 4 PHE CB C -9.053 -3.123 4.481 1.00 . A A . 4 PHE CB 1 1 9 6768 1 1 4 PHE CD1 C -7.004 -4.560 4.452 1.00 . A A . 4 PHE CD1 1 1 9 6769 1 1 4 PHE CD2 C -8.864 -5.267 5.759 1.00 . A A . 4 PHE CD2 1 1 9 6770 1 1 4 PHE CE1 C -6.303 -5.684 4.836 1.00 . A A . 4 PHE CE1 1 1 9 6771 1 1 4 PHE CE2 C -8.168 -6.392 6.149 1.00 . A A . 4 PHE CE2 1 1 9 6772 1 1 4 PHE CG C -8.291 -4.341 4.908 1.00 . A A . 4 PHE CG 1 1 9 6773 1 1 4 PHE CZ C -6.886 -6.601 5.686 1.00 . A A . 4 PHE CZ 1 1 9 6774 1 1 4 PHE H H -10.476 -5.178 3.960 1.00 . A A . 4 PHE H 1 1 9 6775 1 1 4 PHE HA H -10.624 -2.566 3.146 1.00 . A A . 4 PHE HA 1 1 9 6776 1 1 4 PHE HB2 H -8.341 -2.321 4.345 1.00 . A A . 4 PHE HB2 1 1 9 6777 1 1 4 PHE HB3 H -9.741 -2.865 5.272 1.00 . A A . 4 PHE HB3 1 1 9 6778 1 1 4 PHE HD1 H -6.547 -3.843 3.786 1.00 . A A . 4 PHE HD1 1 1 9 6779 1 1 4 PHE HD2 H -9.869 -5.103 6.122 1.00 . A A . 4 PHE HD2 1 1 9 6780 1 1 4 PHE HE1 H -5.298 -5.846 4.474 1.00 . A A . 4 PHE HE1 1 1 9 6781 1 1 4 PHE HE2 H -8.628 -7.108 6.813 1.00 . A A . 4 PHE HE2 1 1 9 6782 1 1 4 PHE HZ H -6.339 -7.481 5.989 1.00 . A A . 4 PHE HZ 1 1 9 6783 1 1 4 PHE N N -10.478 -4.627 3.151 1.00 . A A . 4 PHE N 1 1 9 6784 1 1 4 PHE O O -8.657 -1.951 1.596 1.00 . A A . 4 PHE O 1 1 9 6785 1 1 5 CYS C C -8.199 -3.392 -0.892 1.00 . A A . 5 CYS C 1 1 9 6786 1 1 5 CYS CA C -7.500 -4.070 0.277 1.00 . A A . 5 CYS CA 1 1 9 6787 1 1 5 CYS CB C -6.997 -5.445 -0.140 1.00 . A A . 5 CYS CB 1 1 9 6788 1 1 5 CYS H H -8.636 -5.054 1.765 1.00 . A A . 5 CYS H 1 1 9 6789 1 1 5 CYS HA H -6.655 -3.468 0.571 1.00 . A A . 5 CYS HA 1 1 9 6790 1 1 5 CYS HB2 H -7.837 -6.068 -0.402 1.00 . A A . 5 CYS HB2 1 1 9 6791 1 1 5 CYS HB3 H -6.362 -5.331 -0.997 1.00 . A A . 5 CYS HB3 1 1 9 6792 1 1 5 CYS N N -8.399 -4.173 1.420 1.00 . A A . 5 CYS N 1 1 9 6793 1 1 5 CYS O O -7.560 -2.774 -1.744 1.00 . A A . 5 CYS O 1 1 9 6794 1 1 5 CYS SG S -6.039 -6.303 1.147 1.00 . A A . 5 CYS SG 1 1 9 6795 1 1 6 LEU C C -10.618 -1.436 -1.661 1.00 . A A . 6 LEU C 1 1 9 6796 1 1 6 LEU CA C -10.328 -2.907 -1.968 1.00 . A A . 6 LEU CA 1 1 9 6797 1 1 6 LEU CB C -11.651 -3.662 -2.123 1.00 . A A . 6 LEU CB 1 1 9 6798 1 1 6 LEU CD1 C -12.959 -5.795 -1.964 1.00 . A A . 6 LEU CD1 1 1 9 6799 1 1 6 LEU CD2 C -10.703 -5.790 -3.045 1.00 . A A . 6 LEU CD2 1 1 9 6800 1 1 6 LEU CG C -11.567 -5.181 -1.951 1.00 . A A . 6 LEU CG 1 1 9 6801 1 1 6 LEU H H -9.960 -4.013 -0.197 1.00 . A A . 6 LEU H 1 1 9 6802 1 1 6 LEU HA H -9.774 -2.972 -2.894 1.00 . A A . 6 LEU HA 1 1 9 6803 1 1 6 LEU HB2 H -12.347 -3.279 -1.391 1.00 . A A . 6 LEU HB2 1 1 9 6804 1 1 6 LEU HB3 H -12.044 -3.457 -3.108 1.00 . A A . 6 LEU HB3 1 1 9 6805 1 1 6 LEU HD11 H -12.931 -6.740 -2.486 1.00 . A A . 6 LEU HD11 1 1 9 6806 1 1 6 LEU HD12 H -13.643 -5.127 -2.466 1.00 . A A . 6 LEU HD12 1 1 9 6807 1 1 6 LEU HD13 H -13.291 -5.953 -0.949 1.00 . A A . 6 LEU HD13 1 1 9 6808 1 1 6 LEU HD21 H -9.938 -5.085 -3.335 1.00 . A A . 6 LEU HD21 1 1 9 6809 1 1 6 LEU HD22 H -11.319 -6.025 -3.901 1.00 . A A . 6 LEU HD22 1 1 9 6810 1 1 6 LEU HD23 H -10.240 -6.694 -2.676 1.00 . A A . 6 LEU HD23 1 1 9 6811 1 1 6 LEU HG H -11.113 -5.407 -0.996 1.00 . A A . 6 LEU HG 1 1 9 6812 1 1 6 LEU N N -9.519 -3.510 -0.913 1.00 . A A . 6 LEU N 1 1 9 6813 1 1 6 LEU O O -11.080 -0.695 -2.528 1.00 . A A . 6 LEU O 1 1 9 6814 1 1 7 GLU C C -9.572 1.310 -0.613 1.00 . A A . 7 GLU C 1 1 9 6815 1 1 7 GLU CA C -10.594 0.352 -0.001 1.00 . A A . 7 GLU CA 1 1 9 6816 1 1 7 GLU CB C -10.551 0.452 1.526 1.00 . A A . 7 GLU CB 1 1 9 6817 1 1 7 GLU CD C -12.371 0.790 3.244 1.00 . A A . 7 GLU CD 1 1 9 6818 1 1 7 GLU CG C -11.584 1.405 2.104 1.00 . A A . 7 GLU CG 1 1 9 6819 1 1 7 GLU H H -9.993 -1.663 0.228 1.00 . A A . 7 GLU H 1 1 9 6820 1 1 7 GLU HA H -11.577 0.631 -0.341 1.00 . A A . 7 GLU HA 1 1 9 6821 1 1 7 GLU HB2 H -10.722 -0.529 1.943 1.00 . A A . 7 GLU HB2 1 1 9 6822 1 1 7 GLU HB3 H -9.570 0.795 1.825 1.00 . A A . 7 GLU HB3 1 1 9 6823 1 1 7 GLU HG2 H -11.078 2.286 2.470 1.00 . A A . 7 GLU HG2 1 1 9 6824 1 1 7 GLU HG3 H -12.272 1.686 1.320 1.00 . A A . 7 GLU HG3 1 1 9 6825 1 1 7 GLU N N -10.353 -1.024 -0.422 1.00 . A A . 7 GLU N 1 1 9 6826 1 1 7 GLU O O -8.381 1.233 -0.309 1.00 . A A . 7 GLU O 1 1 9 6827 1 1 7 GLU OE1 O -12.941 -0.304 3.051 1.00 . A A . 7 GLU OE1 1 1 9 6828 1 1 7 GLU OE2 O -12.418 1.401 4.332 1.00 . A A . 7 GLU OE2 1 1 9 6829 1 1 8 PRO C C -9.101 4.526 -1.362 1.00 . A A . 8 PRO C 1 1 9 6830 1 1 8 PRO CA C -9.157 3.207 -2.129 1.00 . A A . 8 PRO CA 1 1 9 6831 1 1 8 PRO CB C -9.852 3.399 -3.472 1.00 . A A . 8 PRO CB 1 1 9 6832 1 1 8 PRO CD C -11.423 2.414 -1.911 1.00 . A A . 8 PRO CD 1 1 9 6833 1 1 8 PRO CG C -11.311 3.254 -3.167 1.00 . A A . 8 PRO CG 1 1 9 6834 1 1 8 PRO HA H -8.161 2.824 -2.278 1.00 . A A . 8 PRO HA 1 1 9 6835 1 1 8 PRO HB2 H -9.624 4.382 -3.859 1.00 . A A . 8 PRO HB2 1 1 9 6836 1 1 8 PRO HB3 H -9.518 2.644 -4.165 1.00 . A A . 8 PRO HB3 1 1 9 6837 1 1 8 PRO HD2 H -11.991 2.940 -1.157 1.00 . A A . 8 PRO HD2 1 1 9 6838 1 1 8 PRO HD3 H -11.886 1.463 -2.135 1.00 . A A . 8 PRO HD3 1 1 9 6839 1 1 8 PRO HG2 H -11.747 4.228 -3.001 1.00 . A A . 8 PRO HG2 1 1 9 6840 1 1 8 PRO HG3 H -11.806 2.760 -3.991 1.00 . A A . 8 PRO HG3 1 1 9 6841 1 1 8 PRO N N -10.025 2.234 -1.482 1.00 . A A . 8 PRO N 1 1 9 6842 1 1 8 PRO O O -10.045 4.879 -0.654 1.00 . A A . 8 PRO O 1 1 9 6843 1 1 9 PRO C C -8.615 7.685 -1.506 1.00 . A A . 9 PRO C 1 1 9 6844 1 1 9 PRO CA C -7.842 6.569 -0.816 1.00 . A A . 9 PRO CA 1 1 9 6845 1 1 9 PRO CB C -6.343 6.830 -0.920 1.00 . A A . 9 PRO CB 1 1 9 6846 1 1 9 PRO CD C -6.818 4.959 -2.331 1.00 . A A . 9 PRO CD 1 1 9 6847 1 1 9 PRO CG C -5.953 6.186 -2.202 1.00 . A A . 9 PRO CG 1 1 9 6848 1 1 9 PRO HA H -8.134 6.513 0.220 1.00 . A A . 9 PRO HA 1 1 9 6849 1 1 9 PRO HB2 H -6.157 7.895 -0.937 1.00 . A A . 9 PRO HB2 1 1 9 6850 1 1 9 PRO HB3 H -5.833 6.379 -0.083 1.00 . A A . 9 PRO HB3 1 1 9 6851 1 1 9 PRO HD2 H -7.101 4.806 -3.363 1.00 . A A . 9 PRO HD2 1 1 9 6852 1 1 9 PRO HD3 H -6.300 4.092 -1.947 1.00 . A A . 9 PRO HD3 1 1 9 6853 1 1 9 PRO HG2 H -6.134 6.862 -3.025 1.00 . A A . 9 PRO HG2 1 1 9 6854 1 1 9 PRO HG3 H -4.914 5.910 -2.170 1.00 . A A . 9 PRO HG3 1 1 9 6855 1 1 9 PRO N N -7.998 5.284 -1.497 1.00 . A A . 9 PRO N 1 1 9 6856 1 1 9 PRO O O -8.746 7.694 -2.729 1.00 . A A . 9 PRO O 1 1 9 6857 1 1 10 TYR C C -8.890 10.859 -1.728 1.00 . A A . 10 TYR C 1 1 9 6858 1 1 10 TYR CA C -9.849 9.763 -1.272 1.00 . A A . 10 TYR CA 1 1 9 6859 1 1 10 TYR CB C -10.860 10.320 -0.258 1.00 . A A . 10 TYR CB 1 1 9 6860 1 1 10 TYR CD1 C -10.037 9.594 2.025 1.00 . A A . 10 TYR CD1 1 1 9 6861 1 1 10 TYR CD2 C -10.051 11.925 1.522 1.00 . A A . 10 TYR CD2 1 1 9 6862 1 1 10 TYR CE1 C -9.543 9.865 3.287 1.00 . A A . 10 TYR CE1 1 1 9 6863 1 1 10 TYR CE2 C -9.561 12.204 2.784 1.00 . A A . 10 TYR CE2 1 1 9 6864 1 1 10 TYR CG C -10.298 10.617 1.120 1.00 . A A . 10 TYR CG 1 1 9 6865 1 1 10 TYR CZ C -9.309 11.171 3.663 1.00 . A A . 10 TYR CZ 1 1 9 6866 1 1 10 TYR H H -8.952 8.585 0.244 1.00 . A A . 10 TYR H 1 1 9 6867 1 1 10 TYR HA H -10.392 9.401 -2.137 1.00 . A A . 10 TYR HA 1 1 9 6868 1 1 10 TYR HB2 H -11.270 11.239 -0.646 1.00 . A A . 10 TYR HB2 1 1 9 6869 1 1 10 TYR HB3 H -11.660 9.604 -0.140 1.00 . A A . 10 TYR HB3 1 1 9 6870 1 1 10 TYR HD1 H -10.222 8.572 1.729 1.00 . A A . 10 TYR HD1 1 1 9 6871 1 1 10 TYR HD2 H -10.248 12.731 0.831 1.00 . A A . 10 TYR HD2 1 1 9 6872 1 1 10 TYR HE1 H -9.346 9.056 3.975 1.00 . A A . 10 TYR HE1 1 1 9 6873 1 1 10 TYR HE2 H -9.376 13.226 3.078 1.00 . A A . 10 TYR HE2 1 1 9 6874 1 1 10 TYR HH H -9.177 12.278 5.231 1.00 . A A . 10 TYR HH 1 1 9 6875 1 1 10 TYR N N -9.105 8.636 -0.720 1.00 . A A . 10 TYR N 1 1 9 6876 1 1 10 TYR O O -7.991 11.258 -0.989 1.00 . A A . 10 TYR O 1 1 9 6877 1 1 10 TYR OH O -8.819 11.443 4.921 1.00 . A A . 10 TYR OH 1 1 9 6878 1 1 11 ALA C C -8.875 13.736 -3.388 1.00 . A A . 11 ALA C 1 1 9 6879 1 1 11 ALA CA C -8.227 12.365 -3.519 1.00 . A A . 11 ALA CA 1 1 9 6880 1 1 11 ALA CB C -7.921 12.059 -4.978 1.00 . A A . 11 ALA CB 1 1 9 6881 1 1 11 ALA H H -9.806 10.958 -3.501 1.00 . A A . 11 ALA H 1 1 9 6882 1 1 11 ALA HA H -7.293 12.364 -2.973 1.00 . A A . 11 ALA HA 1 1 9 6883 1 1 11 ALA HB1 H -6.862 12.175 -5.156 1.00 . A A . 11 ALA HB1 1 1 9 6884 1 1 11 ALA HB2 H -8.470 12.740 -5.613 1.00 . A A . 11 ALA HB2 1 1 9 6885 1 1 11 ALA HB3 H -8.213 11.044 -5.202 1.00 . A A . 11 ALA HB3 1 1 9 6886 1 1 11 ALA N N -9.079 11.326 -2.957 1.00 . A A . 11 ALA N 1 1 9 6887 1 1 11 ALA O O -9.579 14.190 -4.290 1.00 . A A . 11 ALA O 1 1 9 6888 1 1 12 GLY C C -9.372 16.020 -0.557 1.00 . A A . 12 GLY C 1 1 9 6889 1 1 12 GLY CA C -9.209 15.706 -2.031 1.00 . A A . 12 GLY CA 1 1 9 6890 1 1 12 GLY H H -8.062 13.981 -1.575 1.00 . A A . 12 GLY H 1 1 9 6891 1 1 12 GLY HA2 H -8.567 16.452 -2.476 1.00 . A A . 12 GLY HA2 1 1 9 6892 1 1 12 GLY HA3 H -10.180 15.752 -2.505 1.00 . A A . 12 GLY HA3 1 1 9 6893 1 1 12 GLY N N -8.634 14.392 -2.259 1.00 . A A . 12 GLY N 1 1 9 6894 1 1 12 GLY O O -9.525 15.115 0.264 1.00 . A A . 12 GLY O 1 1 9 6895 1 1 13 ALA C C -8.398 17.125 2.038 1.00 . A A . 13 ALA C 1 1 9 6896 1 1 13 ALA CA C -9.488 17.734 1.161 1.00 . A A . 13 ALA CA 1 1 9 6897 1 1 13 ALA CB C -10.867 17.358 1.684 1.00 . A A . 13 ALA CB 1 1 9 6898 1 1 13 ALA H H -9.218 17.978 -0.923 1.00 . A A . 13 ALA H 1 1 9 6899 1 1 13 ALA HA H -9.397 18.809 1.187 1.00 . A A . 13 ALA HA 1 1 9 6900 1 1 13 ALA HB1 H -10.802 16.439 2.246 1.00 . A A . 13 ALA HB1 1 1 9 6901 1 1 13 ALA HB2 H -11.542 17.225 0.851 1.00 . A A . 13 ALA HB2 1 1 9 6902 1 1 13 ALA HB3 H -11.237 18.146 2.324 1.00 . A A . 13 ALA HB3 1 1 9 6903 1 1 13 ALA N N -9.341 17.304 -0.222 1.00 . A A . 13 ALA N 1 1 9 6904 1 1 13 ALA O O -8.644 16.752 3.185 1.00 . A A . 13 ALA O 1 1 9 6905 1 1 14 CYS C C -4.757 16.831 1.519 1.00 . A A . 14 CYS C 1 1 9 6906 1 1 14 CYS CA C -6.067 16.452 2.202 1.00 . A A . 14 CYS CA 1 1 9 6907 1 1 14 CYS CB C -6.219 14.937 2.271 1.00 . A A . 14 CYS CB 1 1 9 6908 1 1 14 CYS H H -7.063 17.331 0.563 1.00 . A A . 14 CYS H 1 1 9 6909 1 1 14 CYS HA H -6.075 16.847 3.203 1.00 . A A . 14 CYS HA 1 1 9 6910 1 1 14 CYS HB2 H -7.188 14.714 2.681 1.00 . A A . 14 CYS HB2 1 1 9 6911 1 1 14 CYS HB3 H -6.153 14.533 1.277 1.00 . A A . 14 CYS HB3 1 1 9 6912 1 1 14 CYS N N -7.196 17.022 1.484 1.00 . A A . 14 CYS N 1 1 9 6913 1 1 14 CYS O O -4.753 17.241 0.358 1.00 . A A . 14 CYS O 1 1 9 6914 1 1 14 CYS SG S -4.982 14.091 3.304 1.00 . A A . 14 CYS SG 1 1 9 6915 1 1 15 ARG C C -1.211 16.388 2.452 1.00 . A A . 15 ARG C 1 1 9 6916 1 1 15 ARG CA C -2.345 17.065 1.689 1.00 . A A . 15 ARG CA 1 1 9 6917 1 1 15 ARG CB C -2.153 18.581 1.714 1.00 . A A . 15 ARG CB 1 1 9 6918 1 1 15 ARG CD C -1.335 19.894 -0.275 1.00 . A A . 15 ARG CD 1 1 9 6919 1 1 15 ARG CG C -0.937 19.053 0.930 1.00 . A A . 15 ARG CG 1 1 9 6920 1 1 15 ARG CZ C -1.389 22.298 -0.820 1.00 . A A . 15 ARG CZ 1 1 9 6921 1 1 15 ARG H H -3.712 16.396 3.166 1.00 . A A . 15 ARG H 1 1 9 6922 1 1 15 ARG HA H -2.320 16.730 0.663 1.00 . A A . 15 ARG HA 1 1 9 6923 1 1 15 ARG HB2 H -3.031 19.047 1.295 1.00 . A A . 15 ARG HB2 1 1 9 6924 1 1 15 ARG HB3 H -2.039 18.899 2.739 1.00 . A A . 15 ARG HB3 1 1 9 6925 1 1 15 ARG HD2 H -0.919 19.445 -1.164 1.00 . A A . 15 ARG HD2 1 1 9 6926 1 1 15 ARG HD3 H -2.413 19.907 -0.350 1.00 . A A . 15 ARG HD3 1 1 9 6927 1 1 15 ARG HE H -0.087 21.435 0.422 1.00 . A A . 15 ARG HE 1 1 9 6928 1 1 15 ARG HG2 H -0.313 19.649 1.579 1.00 . A A . 15 ARG HG2 1 1 9 6929 1 1 15 ARG HG3 H -0.385 18.192 0.589 1.00 . A A . 15 ARG HG3 1 1 9 6930 1 1 15 ARG HH11 H -2.807 21.199 -1.755 1.00 . A A . 15 ARG HH11 1 1 9 6931 1 1 15 ARG HH12 H -2.824 22.892 -2.116 1.00 . A A . 15 ARG HH12 1 1 9 6932 1 1 15 ARG HH21 H -0.108 23.661 -0.054 1.00 . A A . 15 ARG HH21 1 1 9 6933 1 1 15 ARG HH22 H -1.290 24.289 -1.153 1.00 . A A . 15 ARG HH22 1 1 9 6934 1 1 15 ARG N N -3.650 16.715 2.243 1.00 . A A . 15 ARG N 1 1 9 6935 1 1 15 ARG NE N -0.852 21.269 -0.168 1.00 . A A . 15 ARG NE 1 1 9 6936 1 1 15 ARG NH1 N -2.425 22.114 -1.630 1.00 . A A . 15 ARG NH1 1 1 9 6937 1 1 15 ARG NH2 N -0.888 23.517 -0.662 1.00 . A A . 15 ARG NH2 1 1 9 6938 1 1 15 ARG O O -1.189 16.388 3.683 1.00 . A A . 15 ARG O 1 1 9 6939 1 1 16 ALA C C 0.482 13.885 3.046 1.00 . A A . 16 ALA C 1 1 9 6940 1 1 16 ALA CA C 0.890 15.153 2.302 1.00 . A A . 16 ALA CA 1 1 9 6941 1 1 16 ALA CB C 1.629 16.102 3.235 1.00 . A A . 16 ALA CB 1 1 9 6942 1 1 16 ALA H H -0.336 15.867 0.731 1.00 . A A . 16 ALA H 1 1 9 6943 1 1 16 ALA HA H 1.563 14.884 1.501 1.00 . A A . 16 ALA HA 1 1 9 6944 1 1 16 ALA HB1 H 1.935 15.570 4.124 1.00 . A A . 16 ALA HB1 1 1 9 6945 1 1 16 ALA HB2 H 0.976 16.917 3.512 1.00 . A A . 16 ALA HB2 1 1 9 6946 1 1 16 ALA HB3 H 2.501 16.494 2.733 1.00 . A A . 16 ALA HB3 1 1 9 6947 1 1 16 ALA N N -0.263 15.823 1.708 1.00 . A A . 16 ALA N 1 1 9 6948 1 1 16 ALA O O -0.276 13.936 4.016 1.00 . A A . 16 ALA O 1 1 9 6949 1 1 17 ALA C C 1.774 10.438 2.820 1.00 . A A . 17 ALA C 1 1 9 6950 1 1 17 ALA CA C 0.732 11.474 3.219 1.00 . A A . 17 ALA CA 1 1 9 6951 1 1 17 ALA CB C -0.670 10.996 2.876 1.00 . A A . 17 ALA CB 1 1 9 6952 1 1 17 ALA H H 1.618 12.776 1.844 1.00 . A A . 17 ALA H 1 1 9 6953 1 1 17 ALA HA H 0.792 11.627 4.272 1.00 . A A . 17 ALA HA 1 1 9 6954 1 1 17 ALA HB1 H -1.378 11.787 3.069 1.00 . A A . 17 ALA HB1 1 1 9 6955 1 1 17 ALA HB2 H -0.915 10.139 3.484 1.00 . A A . 17 ALA HB2 1 1 9 6956 1 1 17 ALA HB3 H -0.713 10.721 1.832 1.00 . A A . 17 ALA HB3 1 1 9 6957 1 1 17 ALA N N 1.011 12.751 2.597 1.00 . A A . 17 ALA N 1 1 9 6958 1 1 17 ALA O O 1.449 9.298 2.494 1.00 . A A . 17 ALA O 1 1 9 6959 1 1 18 ALA C C 4.343 8.869 3.516 1.00 . A A . 18 ALA C 1 1 9 6960 1 1 18 ALA CA C 4.146 9.984 2.498 1.00 . A A . 18 ALA CA 1 1 9 6961 1 1 18 ALA CB C 5.420 10.805 2.366 1.00 . A A . 18 ALA CB 1 1 9 6962 1 1 18 ALA H H 3.213 11.776 3.131 1.00 . A A . 18 ALA H 1 1 9 6963 1 1 18 ALA HA H 3.934 9.542 1.538 1.00 . A A . 18 ALA HA 1 1 9 6964 1 1 18 ALA HB1 H 5.909 10.868 3.327 1.00 . A A . 18 ALA HB1 1 1 9 6965 1 1 18 ALA HB2 H 5.175 11.799 2.022 1.00 . A A . 18 ALA HB2 1 1 9 6966 1 1 18 ALA HB3 H 6.082 10.331 1.655 1.00 . A A . 18 ALA HB3 1 1 9 6967 1 1 18 ALA N N 3.030 10.853 2.857 1.00 . A A . 18 ALA N 1 1 9 6968 1 1 18 ALA O O 3.505 8.644 4.387 1.00 . A A . 18 ALA O 1 1 9 6969 1 1 19 ALA C C 4.647 6.108 4.487 1.00 . A A . 19 ALA C 1 1 9 6970 1 1 19 ALA CA C 5.814 7.070 4.277 1.00 . A A . 19 ALA CA 1 1 9 6971 1 1 19 ALA CB C 6.288 7.615 5.616 1.00 . A A . 19 ALA CB 1 1 9 6972 1 1 19 ALA H H 6.083 8.410 2.660 1.00 . A A . 19 ALA H 1 1 9 6973 1 1 19 ALA HA H 6.634 6.529 3.830 1.00 . A A . 19 ALA HA 1 1 9 6974 1 1 19 ALA HB1 H 6.489 6.794 6.288 1.00 . A A . 19 ALA HB1 1 1 9 6975 1 1 19 ALA HB2 H 5.522 8.249 6.039 1.00 . A A . 19 ALA HB2 1 1 9 6976 1 1 19 ALA HB3 H 7.190 8.190 5.471 1.00 . A A . 19 ALA HB3 1 1 9 6977 1 1 19 ALA N N 5.467 8.172 3.385 1.00 . A A . 19 ALA N 1 1 9 6978 1 1 19 ALA O O 4.582 5.420 5.506 1.00 . A A . 19 ALA O 1 1 9 6979 1 1 20 ARG C C 2.243 4.563 2.252 1.00 . A A . 20 ARG C 1 1 9 6980 1 1 20 ARG CA C 2.585 5.162 3.614 1.00 . A A . 20 ARG CA 1 1 9 6981 1 1 20 ARG CB C 1.368 5.894 4.178 1.00 . A A . 20 ARG CB 1 1 9 6982 1 1 20 ARG CD C 0.584 7.640 5.815 1.00 . A A . 20 ARG CD 1 1 9 6983 1 1 20 ARG CG C 1.623 6.571 5.519 1.00 . A A . 20 ARG CG 1 1 9 6984 1 1 20 ARG CZ C -0.671 7.736 7.942 1.00 . A A . 20 ARG CZ 1 1 9 6985 1 1 20 ARG H H 3.841 6.617 2.726 1.00 . A A . 20 ARG H 1 1 9 6986 1 1 20 ARG HA H 2.849 4.358 4.286 1.00 . A A . 20 ARG HA 1 1 9 6987 1 1 20 ARG HB2 H 1.060 6.648 3.469 1.00 . A A . 20 ARG HB2 1 1 9 6988 1 1 20 ARG HB3 H 0.564 5.180 4.306 1.00 . A A . 20 ARG HB3 1 1 9 6989 1 1 20 ARG HD2 H 1.083 8.500 6.231 1.00 . A A . 20 ARG HD2 1 1 9 6990 1 1 20 ARG HD3 H 0.101 7.919 4.892 1.00 . A A . 20 ARG HD3 1 1 9 6991 1 1 20 ARG HE H -0.963 6.392 6.495 1.00 . A A . 20 ARG HE 1 1 9 6992 1 1 20 ARG HG2 H 1.589 5.825 6.299 1.00 . A A . 20 ARG HG2 1 1 9 6993 1 1 20 ARG HG3 H 2.598 7.030 5.501 1.00 . A A . 20 ARG HG3 1 1 9 6994 1 1 20 ARG HH11 H 0.727 9.189 7.755 1.00 . A A . 20 ARG HH11 1 1 9 6995 1 1 20 ARG HH12 H -0.173 9.211 9.232 1.00 . A A . 20 ARG HH12 1 1 9 6996 1 1 20 ARG HH21 H -2.134 6.436 8.440 1.00 . A A . 20 ARG HH21 1 1 9 6997 1 1 20 ARG HH22 H -1.791 7.654 9.621 1.00 . A A . 20 ARG HH22 1 1 9 6998 1 1 20 ARG N N 3.735 6.053 3.520 1.00 . A A . 20 ARG N 1 1 9 6999 1 1 20 ARG NE N -0.431 7.173 6.758 1.00 . A A . 20 ARG NE 1 1 9 7000 1 1 20 ARG NH1 N 0.019 8.799 8.341 1.00 . A A . 20 ARG NH1 1 1 9 7001 1 1 20 ARG NH2 N -1.609 7.234 8.732 1.00 . A A . 20 ARG NH2 1 1 9 7002 1 1 20 ARG O O 2.616 5.099 1.207 1.00 . A A . 20 ARG O 1 1 9 7003 1 1 21 TYR C C -0.266 2.193 1.155 1.00 . A A . 21 TYR C 1 1 9 7004 1 1 21 TYR CA C 1.149 2.757 1.047 1.00 . A A . 21 TYR CA 1 1 9 7005 1 1 21 TYR CB C 2.122 1.619 0.731 1.00 . A A . 21 TYR CB 1 1 9 7006 1 1 21 TYR CD1 C 4.208 2.385 1.936 1.00 . A A . 21 TYR CD1 1 1 9 7007 1 1 21 TYR CD2 C 4.337 2.009 -0.413 1.00 . A A . 21 TYR CD2 1 1 9 7008 1 1 21 TYR CE1 C 5.545 2.731 1.958 1.00 . A A . 21 TYR CE1 1 1 9 7009 1 1 21 TYR CE2 C 5.673 2.355 -0.401 1.00 . A A . 21 TYR CE2 1 1 9 7010 1 1 21 TYR CG C 3.581 2.018 0.752 1.00 . A A . 21 TYR CG 1 1 9 7011 1 1 21 TYR CZ C 6.274 2.715 0.787 1.00 . A A . 21 TYR CZ 1 1 9 7012 1 1 21 TYR H H 1.277 3.061 3.139 1.00 . A A . 21 TYR H 1 1 9 7013 1 1 21 TYR HA H 1.176 3.477 0.243 1.00 . A A . 21 TYR HA 1 1 9 7014 1 1 21 TYR HB2 H 1.988 0.831 1.456 1.00 . A A . 21 TYR HB2 1 1 9 7015 1 1 21 TYR HB3 H 1.899 1.234 -0.253 1.00 . A A . 21 TYR HB3 1 1 9 7016 1 1 21 TYR HD1 H 3.635 2.397 2.851 1.00 . A A . 21 TYR HD1 1 1 9 7017 1 1 21 TYR HD2 H 3.863 1.727 -1.343 1.00 . A A . 21 TYR HD2 1 1 9 7018 1 1 21 TYR HE1 H 6.014 3.012 2.888 1.00 . A A . 21 TYR HE1 1 1 9 7019 1 1 21 TYR HE2 H 6.243 2.343 -1.319 1.00 . A A . 21 TYR HE2 1 1 9 7020 1 1 21 TYR HH H 8.032 2.761 -0.001 1.00 . A A . 21 TYR HH 1 1 9 7021 1 1 21 TYR N N 1.540 3.440 2.275 1.00 . A A . 21 TYR N 1 1 9 7022 1 1 21 TYR O O -0.870 2.194 2.228 1.00 . A A . 21 TYR O 1 1 9 7023 1 1 21 TYR OH O 7.607 3.061 0.807 1.00 . A A . 21 TYR OH 1 1 9 7024 1 1 22 PHE C C -2.146 0.017 -1.094 1.00 . A A . 22 PHE C 1 1 9 7025 1 1 22 PHE CA C -2.103 1.084 -0.019 1.00 . A A . 22 PHE CA 1 1 9 7026 1 1 22 PHE CB C -3.185 2.124 -0.293 1.00 . A A . 22 PHE CB 1 1 9 7027 1 1 22 PHE CD1 C -2.040 3.971 -1.544 1.00 . A A . 22 PHE CD1 1 1 9 7028 1 1 22 PHE CD2 C -3.631 2.630 -2.708 1.00 . A A . 22 PHE CD2 1 1 9 7029 1 1 22 PHE CE1 C -1.817 4.706 -2.691 1.00 . A A . 22 PHE CE1 1 1 9 7030 1 1 22 PHE CE2 C -3.412 3.361 -3.859 1.00 . A A . 22 PHE CE2 1 1 9 7031 1 1 22 PHE CG C -2.948 2.927 -1.538 1.00 . A A . 22 PHE CG 1 1 9 7032 1 1 22 PHE CZ C -2.503 4.401 -3.850 1.00 . A A . 22 PHE CZ 1 1 9 7033 1 1 22 PHE H H -0.230 1.711 -0.783 1.00 . A A . 22 PHE H 1 1 9 7034 1 1 22 PHE HA H -2.296 0.619 0.939 1.00 . A A . 22 PHE HA 1 1 9 7035 1 1 22 PHE HB2 H -4.132 1.619 -0.404 1.00 . A A . 22 PHE HB2 1 1 9 7036 1 1 22 PHE HB3 H -3.243 2.797 0.540 1.00 . A A . 22 PHE HB3 1 1 9 7037 1 1 22 PHE HD1 H -1.503 4.212 -0.638 1.00 . A A . 22 PHE HD1 1 1 9 7038 1 1 22 PHE HD2 H -4.342 1.817 -2.714 1.00 . A A . 22 PHE HD2 1 1 9 7039 1 1 22 PHE HE1 H -1.107 5.520 -2.682 1.00 . A A . 22 PHE HE1 1 1 9 7040 1 1 22 PHE HE2 H -3.949 3.120 -4.763 1.00 . A A . 22 PHE HE2 1 1 9 7041 1 1 22 PHE HZ H -2.329 4.975 -4.748 1.00 . A A . 22 PHE HZ 1 1 9 7042 1 1 22 PHE N N -0.774 1.691 0.034 1.00 . A A . 22 PHE N 1 1 9 7043 1 1 22 PHE O O -1.362 0.044 -2.038 1.00 . A A . 22 PHE O 1 1 9 7044 1 1 23 TYR C C -4.027 -1.562 -3.125 1.00 . A A . 23 TYR C 1 1 9 7045 1 1 23 TYR CA C -3.190 -2.003 -1.932 1.00 . A A . 23 TYR CA 1 1 9 7046 1 1 23 TYR CB C -3.805 -3.248 -1.299 1.00 . A A . 23 TYR CB 1 1 9 7047 1 1 23 TYR CD1 C -2.784 -5.167 -2.581 1.00 . A A . 23 TYR CD1 1 1 9 7048 1 1 23 TYR CD2 C -5.120 -4.768 -2.831 1.00 . A A . 23 TYR CD2 1 1 9 7049 1 1 23 TYR CE1 C -2.870 -6.235 -3.453 1.00 . A A . 23 TYR CE1 1 1 9 7050 1 1 23 TYR CE2 C -5.214 -5.836 -3.703 1.00 . A A . 23 TYR CE2 1 1 9 7051 1 1 23 TYR CG C -3.907 -4.417 -2.255 1.00 . A A . 23 TYR CG 1 1 9 7052 1 1 23 TYR CZ C -4.087 -6.566 -4.011 1.00 . A A . 23 TYR CZ 1 1 9 7053 1 1 23 TYR H H -3.667 -0.889 -0.182 1.00 . A A . 23 TYR H 1 1 9 7054 1 1 23 TYR HA H -2.191 -2.252 -2.280 1.00 . A A . 23 TYR HA 1 1 9 7055 1 1 23 TYR HB2 H -3.189 -3.559 -0.468 1.00 . A A . 23 TYR HB2 1 1 9 7056 1 1 23 TYR HB3 H -4.801 -3.015 -0.946 1.00 . A A . 23 TYR HB3 1 1 9 7057 1 1 23 TYR HD1 H -1.833 -4.907 -2.141 1.00 . A A . 23 TYR HD1 1 1 9 7058 1 1 23 TYR HD2 H -6.002 -4.194 -2.589 1.00 . A A . 23 TYR HD2 1 1 9 7059 1 1 23 TYR HE1 H -1.986 -6.807 -3.694 1.00 . A A . 23 TYR HE1 1 1 9 7060 1 1 23 TYR HE2 H -6.168 -6.095 -4.139 1.00 . A A . 23 TYR HE2 1 1 9 7061 1 1 23 TYR HH H -3.654 -8.364 -4.539 1.00 . A A . 23 TYR HH 1 1 9 7062 1 1 23 TYR N N -3.063 -0.923 -0.954 1.00 . A A . 23 TYR N 1 1 9 7063 1 1 23 TYR O O -5.054 -0.902 -2.971 1.00 . A A . 23 TYR O 1 1 9 7064 1 1 23 TYR OH O -4.177 -7.632 -4.876 1.00 . A A . 23 TYR OH 1 1 9 7065 1 1 24 ASN C C -5.007 -2.822 -6.096 1.00 . A A . 24 ASN C 1 1 9 7066 1 1 24 ASN CA C -4.280 -1.602 -5.544 1.00 . A A . 24 ASN CA 1 1 9 7067 1 1 24 ASN CB C -3.284 -1.064 -6.575 1.00 . A A . 24 ASN CB 1 1 9 7068 1 1 24 ASN CG C -3.951 -0.643 -7.865 1.00 . A A . 24 ASN CG 1 1 9 7069 1 1 24 ASN H H -2.761 -2.477 -4.360 1.00 . A A . 24 ASN H 1 1 9 7070 1 1 24 ASN HA H -5.005 -0.832 -5.319 1.00 . A A . 24 ASN HA 1 1 9 7071 1 1 24 ASN HB2 H -2.775 -0.204 -6.160 1.00 . A A . 24 ASN HB2 1 1 9 7072 1 1 24 ASN HB3 H -2.560 -1.832 -6.807 1.00 . A A . 24 ASN HB3 1 1 9 7073 1 1 24 ASN HD21 H -2.584 0.778 -8.116 1.00 . A A . 24 ASN HD21 1 1 9 7074 1 1 24 ASN HD22 H -3.793 0.657 -9.353 1.00 . A A . 24 ASN HD22 1 1 9 7075 1 1 24 ASN N N -3.581 -1.944 -4.312 1.00 . A A . 24 ASN N 1 1 9 7076 1 1 24 ASN ND2 N -3.388 0.367 -8.509 1.00 . A A . 24 ASN ND2 1 1 9 7077 1 1 24 ASN O O -4.441 -3.598 -6.859 1.00 . A A . 24 ASN O 1 1 9 7078 1 1 24 ASN OD1 O -4.953 -1.222 -8.281 1.00 . A A . 24 ASN OD1 1 1 9 7079 1 1 25 ALA C C -7.085 -4.230 -7.676 1.00 . A A . 25 ALA C 1 1 9 7080 1 1 25 ALA CA C -7.068 -4.121 -6.151 1.00 . A A . 25 ALA CA 1 1 9 7081 1 1 25 ALA CB C -8.488 -4.005 -5.614 1.00 . A A . 25 ALA CB 1 1 9 7082 1 1 25 ALA H H -6.664 -2.333 -5.089 1.00 . A A . 25 ALA H 1 1 9 7083 1 1 25 ALA HA H -6.627 -5.019 -5.742 1.00 . A A . 25 ALA HA 1 1 9 7084 1 1 25 ALA HB1 H -8.482 -3.428 -4.699 1.00 . A A . 25 ALA HB1 1 1 9 7085 1 1 25 ALA HB2 H -8.877 -4.992 -5.412 1.00 . A A . 25 ALA HB2 1 1 9 7086 1 1 25 ALA HB3 H -9.111 -3.514 -6.345 1.00 . A A . 25 ALA HB3 1 1 9 7087 1 1 25 ALA N N -6.266 -2.987 -5.702 1.00 . A A . 25 ALA N 1 1 9 7088 1 1 25 ALA O O -7.331 -5.304 -8.225 1.00 . A A . 25 ALA O 1 1 9 7089 1 1 26 LYS C C -5.418 -3.373 -10.385 1.00 . A A . 26 LYS C 1 1 9 7090 1 1 26 LYS CA C -6.812 -3.088 -9.813 1.00 . A A . 26 LYS CA 1 1 9 7091 1 1 26 LYS CB C -7.311 -1.729 -10.313 1.00 . A A . 26 LYS CB 1 1 9 7092 1 1 26 LYS CD C -8.649 -0.587 -12.111 1.00 . A A . 26 LYS CD 1 1 9 7093 1 1 26 LYS CE C -10.090 -0.366 -12.546 1.00 . A A . 26 LYS CE 1 1 9 7094 1 1 26 LYS CG C -8.515 -1.824 -11.236 1.00 . A A . 26 LYS CG 1 1 9 7095 1 1 26 LYS H H -6.635 -2.291 -7.861 1.00 . A A . 26 LYS H 1 1 9 7096 1 1 26 LYS HA H -7.492 -3.854 -10.163 1.00 . A A . 26 LYS HA 1 1 9 7097 1 1 26 LYS HB2 H -7.586 -1.125 -9.460 1.00 . A A . 26 LYS HB2 1 1 9 7098 1 1 26 LYS HB3 H -6.512 -1.237 -10.848 1.00 . A A . 26 LYS HB3 1 1 9 7099 1 1 26 LYS HD2 H -8.317 0.274 -11.552 1.00 . A A . 26 LYS HD2 1 1 9 7100 1 1 26 LYS HD3 H -8.032 -0.710 -12.988 1.00 . A A . 26 LYS HD3 1 1 9 7101 1 1 26 LYS HE2 H -10.102 0.348 -13.356 1.00 . A A . 26 LYS HE2 1 1 9 7102 1 1 26 LYS HE3 H -10.496 -1.307 -12.891 1.00 . A A . 26 LYS HE3 1 1 9 7103 1 1 26 LYS HG2 H -8.403 -2.690 -11.871 1.00 . A A . 26 LYS HG2 1 1 9 7104 1 1 26 LYS HG3 H -9.408 -1.929 -10.637 1.00 . A A . 26 LYS HG3 1 1 9 7105 1 1 26 LYS HZ1 H -10.681 1.133 -11.217 1.00 . A A . 26 LYS HZ1 1 1 9 7106 1 1 26 LYS HZ2 H -10.796 -0.430 -10.581 1.00 . A A . 26 LYS HZ2 1 1 9 7107 1 1 26 LYS HZ3 H -11.940 0.112 -11.704 1.00 . A A . 26 LYS HZ3 1 1 9 7108 1 1 26 LYS N N -6.822 -3.117 -8.352 1.00 . A A . 26 LYS N 1 1 9 7109 1 1 26 LYS NZ N -10.936 0.148 -11.434 1.00 . A A . 26 LYS NZ 1 1 9 7110 1 1 26 LYS O O -5.243 -3.406 -11.603 1.00 . A A . 26 LYS O 1 1 9 7111 1 1 27 ALA C C -2.377 -4.947 -9.168 1.00 . A A . 27 ALA C 1 1 9 7112 1 1 27 ALA CA C -3.062 -3.838 -9.975 1.00 . A A . 27 ALA CA 1 1 9 7113 1 1 27 ALA CB C -2.232 -2.565 -9.932 1.00 . A A . 27 ALA CB 1 1 9 7114 1 1 27 ALA H H -4.612 -3.520 -8.554 1.00 . A A . 27 ALA H 1 1 9 7115 1 1 27 ALA HA H -3.124 -4.155 -11.007 1.00 . A A . 27 ALA HA 1 1 9 7116 1 1 27 ALA HB1 H -1.542 -2.612 -9.102 1.00 . A A . 27 ALA HB1 1 1 9 7117 1 1 27 ALA HB2 H -2.884 -1.713 -9.810 1.00 . A A . 27 ALA HB2 1 1 9 7118 1 1 27 ALA HB3 H -1.680 -2.465 -10.854 1.00 . A A . 27 ALA HB3 1 1 9 7119 1 1 27 ALA N N -4.427 -3.569 -9.514 1.00 . A A . 27 ALA N 1 1 9 7120 1 1 27 ALA O O -1.257 -5.347 -9.487 1.00 . A A . 27 ALA O 1 1 9 7121 1 1 28 GLY C C -1.331 -6.119 -6.449 1.00 . A A . 28 GLY C 1 1 9 7122 1 1 28 GLY CA C -2.502 -6.523 -7.336 1.00 . A A . 28 GLY CA 1 1 9 7123 1 1 28 GLY H H -3.939 -5.124 -7.939 1.00 . A A . 28 GLY H 1 1 9 7124 1 1 28 GLY HA2 H -3.285 -6.918 -6.710 1.00 . A A . 28 GLY HA2 1 1 9 7125 1 1 28 GLY HA3 H -2.179 -7.292 -8.003 1.00 . A A . 28 GLY HA3 1 1 9 7126 1 1 28 GLY N N -3.053 -5.455 -8.140 1.00 . A A . 28 GLY N 1 1 9 7127 1 1 28 GLY O O -0.875 -6.917 -5.630 1.00 . A A . 28 GLY O 1 1 9 7128 1 1 29 LEU C C -0.038 -3.149 -5.053 1.00 . A A . 29 LEU C 1 1 9 7129 1 1 29 LEU CA C 0.298 -4.432 -5.809 1.00 . A A . 29 LEU CA 1 1 9 7130 1 1 29 LEU CB C 1.515 -4.202 -6.708 1.00 . A A . 29 LEU CB 1 1 9 7131 1 1 29 LEU CD1 C 2.074 -6.469 -7.618 1.00 . A A . 29 LEU CD1 1 1 9 7132 1 1 29 LEU CD2 C 3.900 -4.822 -7.158 1.00 . A A . 29 LEU CD2 1 1 9 7133 1 1 29 LEU CG C 2.539 -5.337 -6.715 1.00 . A A . 29 LEU CG 1 1 9 7134 1 1 29 LEU H H -1.225 -4.308 -7.279 1.00 . A A . 29 LEU H 1 1 9 7135 1 1 29 LEU HA H 0.535 -5.204 -5.094 1.00 . A A . 29 LEU HA 1 1 9 7136 1 1 29 LEU HB2 H 1.166 -4.054 -7.719 1.00 . A A . 29 LEU HB2 1 1 9 7137 1 1 29 LEU HB3 H 2.013 -3.301 -6.382 1.00 . A A . 29 LEU HB3 1 1 9 7138 1 1 29 LEU HD11 H 2.736 -7.314 -7.506 1.00 . A A . 29 LEU HD11 1 1 9 7139 1 1 29 LEU HD12 H 2.085 -6.136 -8.646 1.00 . A A . 29 LEU HD12 1 1 9 7140 1 1 29 LEU HD13 H 1.070 -6.758 -7.345 1.00 . A A . 29 LEU HD13 1 1 9 7141 1 1 29 LEU HD21 H 4.255 -4.089 -6.449 1.00 . A A . 29 LEU HD21 1 1 9 7142 1 1 29 LEU HD22 H 3.811 -4.366 -8.133 1.00 . A A . 29 LEU HD22 1 1 9 7143 1 1 29 LEU HD23 H 4.598 -5.644 -7.206 1.00 . A A . 29 LEU HD23 1 1 9 7144 1 1 29 LEU HG H 2.639 -5.730 -5.713 1.00 . A A . 29 LEU HG 1 1 9 7145 1 1 29 LEU N N -0.834 -4.900 -6.609 1.00 . A A . 29 LEU N 1 1 9 7146 1 1 29 LEU O O -1.086 -2.542 -5.277 1.00 . A A . 29 LEU O 1 1 9 7147 1 1 30 CYS C C 1.468 -0.366 -3.943 1.00 . A A . 30 CYS C 1 1 9 7148 1 1 30 CYS CA C 0.653 -1.522 -3.383 1.00 . A A . 30 CYS CA 1 1 9 7149 1 1 30 CYS CB C 1.020 -1.711 -1.910 1.00 . A A . 30 CYS CB 1 1 9 7150 1 1 30 CYS H H 1.680 -3.261 -4.026 1.00 . A A . 30 CYS H 1 1 9 7151 1 1 30 CYS HA H -0.391 -1.269 -3.452 1.00 . A A . 30 CYS HA 1 1 9 7152 1 1 30 CYS HB2 H 2.051 -1.424 -1.772 1.00 . A A . 30 CYS HB2 1 1 9 7153 1 1 30 CYS HB3 H 0.396 -1.063 -1.317 1.00 . A A . 30 CYS HB3 1 1 9 7154 1 1 30 CYS N N 0.861 -2.738 -4.159 1.00 . A A . 30 CYS N 1 1 9 7155 1 1 30 CYS O O 2.402 -0.558 -4.722 1.00 . A A . 30 CYS O 1 1 9 7156 1 1 30 CYS SG S 0.818 -3.408 -1.272 1.00 . A A . 30 CYS SG 1 1 9 7157 1 1 31 GLN C C 1.737 3.120 -2.862 1.00 . A A . 31 GLN C 1 1 9 7158 1 1 31 GLN CA C 1.790 2.049 -3.949 1.00 . A A . 31 GLN CA 1 1 9 7159 1 1 31 GLN CB C 1.170 2.585 -5.243 1.00 . A A . 31 GLN CB 1 1 9 7160 1 1 31 GLN CD C 0.674 2.149 -7.683 1.00 . A A . 31 GLN CD 1 1 9 7161 1 1 31 GLN CG C 1.479 1.736 -6.465 1.00 . A A . 31 GLN CG 1 1 9 7162 1 1 31 GLN H H 0.364 0.903 -2.884 1.00 . A A . 31 GLN H 1 1 9 7163 1 1 31 GLN HA H 2.820 1.795 -4.137 1.00 . A A . 31 GLN HA 1 1 9 7164 1 1 31 GLN HB2 H 0.098 2.629 -5.124 1.00 . A A . 31 GLN HB2 1 1 9 7165 1 1 31 GLN HB3 H 1.544 3.583 -5.421 1.00 . A A . 31 GLN HB3 1 1 9 7166 1 1 31 GLN HE21 H 0.561 0.255 -8.279 1.00 . A A . 31 GLN HE21 1 1 9 7167 1 1 31 GLN HE22 H -0.221 1.411 -9.298 1.00 . A A . 31 GLN HE22 1 1 9 7168 1 1 31 GLN HG2 H 2.529 1.833 -6.700 1.00 . A A . 31 GLN HG2 1 1 9 7169 1 1 31 GLN HG3 H 1.257 0.705 -6.237 1.00 . A A . 31 GLN HG3 1 1 9 7170 1 1 31 GLN N N 1.105 0.836 -3.520 1.00 . A A . 31 GLN N 1 1 9 7171 1 1 31 GLN NE2 N 0.300 1.173 -8.503 1.00 . A A . 31 GLN NE2 1 1 9 7172 1 1 31 GLN O O 0.896 3.066 -1.963 1.00 . A A . 31 GLN O 1 1 9 7173 1 1 31 GLN OE1 O 0.390 3.329 -7.884 1.00 . A A . 31 GLN OE1 1 1 9 7174 1 1 32 THR C C 1.537 6.177 -2.245 1.00 . A A . 32 THR C 1 1 9 7175 1 1 32 THR CA C 2.679 5.195 -1.996 1.00 . A A . 32 THR CA 1 1 9 7176 1 1 32 THR CB C 4.028 5.918 -2.074 1.00 . A A . 32 THR CB 1 1 9 7177 1 1 32 THR CG2 C 4.143 6.873 -3.247 1.00 . A A . 32 THR CG2 1 1 9 7178 1 1 32 THR H H 3.271 4.090 -3.702 1.00 . A A . 32 THR H 1 1 9 7179 1 1 32 THR HA H 2.558 4.778 -1.010 1.00 . A A . 32 THR HA 1 1 9 7180 1 1 32 THR HB H 4.812 5.181 -2.170 1.00 . A A . 32 THR HB 1 1 9 7181 1 1 32 THR HG1 H 5.115 7.104 -0.955 1.00 . A A . 32 THR HG1 1 1 9 7182 1 1 32 THR HG21 H 3.297 6.740 -3.905 1.00 . A A . 32 THR HG21 1 1 9 7183 1 1 32 THR HG22 H 5.056 6.669 -3.788 1.00 . A A . 32 THR HG22 1 1 9 7184 1 1 32 THR HG23 H 4.160 7.890 -2.884 1.00 . A A . 32 THR HG23 1 1 9 7185 1 1 32 THR N N 2.634 4.099 -2.958 1.00 . A A . 32 THR N 1 1 9 7186 1 1 32 THR O O 1.014 6.268 -3.355 1.00 . A A . 32 THR O 1 1 9 7187 1 1 32 THR OG1 O 4.264 6.664 -0.892 1.00 . A A . 32 THR OG1 1 1 9 7188 1 1 33 PHE C C 0.525 9.119 -2.122 1.00 . A A . 33 PHE C 1 1 9 7189 1 1 33 PHE CA C 0.086 7.898 -1.318 1.00 . A A . 33 PHE CA 1 1 9 7190 1 1 33 PHE CB C -0.368 8.341 0.068 1.00 . A A . 33 PHE CB 1 1 9 7191 1 1 33 PHE CD1 C -0.451 6.307 1.531 1.00 . A A . 33 PHE CD1 1 1 9 7192 1 1 33 PHE CD2 C -2.507 7.265 0.805 1.00 . A A . 33 PHE CD2 1 1 9 7193 1 1 33 PHE CE1 C -1.144 5.330 2.218 1.00 . A A . 33 PHE CE1 1 1 9 7194 1 1 33 PHE CE2 C -3.206 6.291 1.490 1.00 . A A . 33 PHE CE2 1 1 9 7195 1 1 33 PHE CG C -1.125 7.284 0.818 1.00 . A A . 33 PHE CG 1 1 9 7196 1 1 33 PHE CZ C -2.524 5.323 2.198 1.00 . A A . 33 PHE CZ 1 1 9 7197 1 1 33 PHE H H 1.626 6.809 -0.351 1.00 . A A . 33 PHE H 1 1 9 7198 1 1 33 PHE HA H -0.745 7.424 -1.822 1.00 . A A . 33 PHE HA 1 1 9 7199 1 1 33 PHE HB2 H 0.496 8.611 0.655 1.00 . A A . 33 PHE HB2 1 1 9 7200 1 1 33 PHE HB3 H -1.011 9.202 -0.034 1.00 . A A . 33 PHE HB3 1 1 9 7201 1 1 33 PHE HD1 H 0.629 6.312 1.549 1.00 . A A . 33 PHE HD1 1 1 9 7202 1 1 33 PHE HD2 H -3.042 8.022 0.252 1.00 . A A . 33 PHE HD2 1 1 9 7203 1 1 33 PHE HE1 H -0.607 4.573 2.770 1.00 . A A . 33 PHE HE1 1 1 9 7204 1 1 33 PHE HE2 H -4.285 6.288 1.474 1.00 . A A . 33 PHE HE2 1 1 9 7205 1 1 33 PHE HZ H -3.068 4.560 2.735 1.00 . A A . 33 PHE HZ 1 1 9 7206 1 1 33 PHE N N 1.165 6.920 -1.209 1.00 . A A . 33 PHE N 1 1 9 7207 1 1 33 PHE O O 1.170 10.024 -1.591 1.00 . A A . 33 PHE O 1 1 9 7208 1 1 34 ALA C C -0.407 11.454 -3.993 1.00 . A A . 34 ALA C 1 1 9 7209 1 1 34 ALA CA C 0.504 10.263 -4.265 1.00 . A A . 34 ALA CA 1 1 9 7210 1 1 34 ALA CB C 0.419 9.847 -5.726 1.00 . A A . 34 ALA CB 1 1 9 7211 1 1 34 ALA H H -0.360 8.399 -3.759 1.00 . A A . 34 ALA H 1 1 9 7212 1 1 34 ALA HA H 1.522 10.548 -4.052 1.00 . A A . 34 ALA HA 1 1 9 7213 1 1 34 ALA HB1 H 1.397 9.552 -6.075 1.00 . A A . 34 ALA HB1 1 1 9 7214 1 1 34 ALA HB2 H 0.062 10.679 -6.316 1.00 . A A . 34 ALA HB2 1 1 9 7215 1 1 34 ALA HB3 H -0.264 9.017 -5.825 1.00 . A A . 34 ALA HB3 1 1 9 7216 1 1 34 ALA N N 0.162 9.144 -3.397 1.00 . A A . 34 ALA N 1 1 9 7217 1 1 34 ALA O O -1.463 11.314 -3.366 1.00 . A A . 34 ALA O 1 1 9 7218 1 1 35 TYR C C -1.365 13.917 -2.871 1.00 . A A . 35 TYR C 1 1 9 7219 1 1 35 TYR CA C -0.793 13.847 -4.277 1.00 . A A . 35 TYR CA 1 1 9 7220 1 1 35 TYR CB C -1.919 13.910 -5.319 1.00 . A A . 35 TYR CB 1 1 9 7221 1 1 35 TYR CD1 C -3.743 12.316 -4.613 1.00 . A A . 35 TYR CD1 1 1 9 7222 1 1 35 TYR CD2 C -2.377 11.709 -6.467 1.00 . A A . 35 TYR CD2 1 1 9 7223 1 1 35 TYR CE1 C -4.456 11.141 -4.746 1.00 . A A . 35 TYR CE1 1 1 9 7224 1 1 35 TYR CE2 C -3.085 10.531 -6.608 1.00 . A A . 35 TYR CE2 1 1 9 7225 1 1 35 TYR CG C -2.694 12.620 -5.468 1.00 . A A . 35 TYR CG 1 1 9 7226 1 1 35 TYR CZ C -4.123 10.252 -5.746 1.00 . A A . 35 TYR CZ 1 1 9 7227 1 1 35 TYR H H 0.843 12.683 -4.962 1.00 . A A . 35 TYR H 1 1 9 7228 1 1 35 TYR HA H -0.153 14.705 -4.413 1.00 . A A . 35 TYR HA 1 1 9 7229 1 1 35 TYR HB2 H -2.619 14.682 -5.043 1.00 . A A . 35 TYR HB2 1 1 9 7230 1 1 35 TYR HB3 H -1.491 14.150 -6.281 1.00 . A A . 35 TYR HB3 1 1 9 7231 1 1 35 TYR HD1 H -4.003 13.015 -3.831 1.00 . A A . 35 TYR HD1 1 1 9 7232 1 1 35 TYR HD2 H -1.563 11.931 -7.141 1.00 . A A . 35 TYR HD2 1 1 9 7233 1 1 35 TYR HE1 H -5.269 10.924 -4.072 1.00 . A A . 35 TYR HE1 1 1 9 7234 1 1 35 TYR HE2 H -2.823 9.835 -7.391 1.00 . A A . 35 TYR HE2 1 1 9 7235 1 1 35 TYR HH H -4.739 8.746 -6.775 1.00 . A A . 35 TYR HH 1 1 9 7236 1 1 35 TYR N N -0.003 12.632 -4.469 1.00 . A A . 35 TYR N 1 1 9 7237 1 1 35 TYR O O -0.995 13.145 -1.986 1.00 . A A . 35 TYR O 1 1 9 7238 1 1 35 TYR OH O -4.832 9.078 -5.879 1.00 . A A . 35 TYR OH 1 1 9 7239 1 1 36 GLY C C -3.749 13.884 -0.926 1.00 . A A . 36 GLY C 1 1 9 7240 1 1 36 GLY CA C -2.872 15.050 -1.373 1.00 . A A . 36 GLY CA 1 1 9 7241 1 1 36 GLY H H -2.478 15.454 -3.417 1.00 . A A . 36 GLY H 1 1 9 7242 1 1 36 GLY HA2 H -2.098 15.198 -0.638 1.00 . A A . 36 GLY HA2 1 1 9 7243 1 1 36 GLY HA3 H -3.483 15.942 -1.411 1.00 . A A . 36 GLY HA3 1 1 9 7244 1 1 36 GLY N N -2.252 14.862 -2.672 1.00 . A A . 36 GLY N 1 1 9 7245 1 1 36 GLY O O -4.693 14.092 -0.168 1.00 . A A . 36 GLY O 1 1 9 7246 1 1 37 ALA C C -4.085 11.228 0.529 1.00 . A A . 37 ALA C 1 1 9 7247 1 1 37 ALA CA C -4.260 11.507 -0.961 1.00 . A A . 37 ALA CA 1 1 9 7248 1 1 37 ALA CB C -3.897 10.276 -1.777 1.00 . A A . 37 ALA CB 1 1 9 7249 1 1 37 ALA H H -2.692 12.519 -1.976 1.00 . A A . 37 ALA H 1 1 9 7250 1 1 37 ALA HA H -5.298 11.745 -1.151 1.00 . A A . 37 ALA HA 1 1 9 7251 1 1 37 ALA HB1 H -3.019 10.482 -2.366 1.00 . A A . 37 ALA HB1 1 1 9 7252 1 1 37 ALA HB2 H -4.718 10.023 -2.431 1.00 . A A . 37 ALA HB2 1 1 9 7253 1 1 37 ALA HB3 H -3.698 9.447 -1.113 1.00 . A A . 37 ALA HB3 1 1 9 7254 1 1 37 ALA N N -3.455 12.657 -1.373 1.00 . A A . 37 ALA N 1 1 9 7255 1 1 37 ALA O O -2.960 11.114 1.021 1.00 . A A . 37 ALA O 1 1 9 7256 1 1 38 CYS C C -5.028 9.365 2.972 1.00 . A A . 38 CYS C 1 1 9 7257 1 1 38 CYS CA C -5.159 10.857 2.681 1.00 . A A . 38 CYS CA 1 1 9 7258 1 1 38 CYS CB C -6.413 11.408 3.360 1.00 . A A . 38 CYS CB 1 1 9 7259 1 1 38 CYS H H -6.066 11.220 0.801 1.00 . A A . 38 CYS H 1 1 9 7260 1 1 38 CYS HA H -4.295 11.363 3.082 1.00 . A A . 38 CYS HA 1 1 9 7261 1 1 38 CYS HB2 H -7.122 11.717 2.603 1.00 . A A . 38 CYS HB2 1 1 9 7262 1 1 38 CYS HB3 H -6.858 10.630 3.962 1.00 . A A . 38 CYS HB3 1 1 9 7263 1 1 38 CYS N N -5.199 11.120 1.245 1.00 . A A . 38 CYS N 1 1 9 7264 1 1 38 CYS O O -5.246 8.526 2.098 1.00 . A A . 38 CYS O 1 1 9 7265 1 1 38 CYS SG S -6.099 12.838 4.447 1.00 . A A . 38 CYS SG 1 1 9 7266 1 1 39 ALA C C -5.866 6.963 4.756 1.00 . A A . 39 ALA C 1 1 9 7267 1 1 39 ALA CA C -4.519 7.663 4.637 1.00 . A A . 39 ALA CA 1 1 9 7268 1 1 39 ALA CB C -3.763 7.596 5.956 1.00 . A A . 39 ALA CB 1 1 9 7269 1 1 39 ALA H H -4.520 9.765 4.863 1.00 . A A . 39 ALA H 1 1 9 7270 1 1 39 ALA HA H -3.938 7.152 3.892 1.00 . A A . 39 ALA HA 1 1 9 7271 1 1 39 ALA HB1 H -2.779 8.020 5.829 1.00 . A A . 39 ALA HB1 1 1 9 7272 1 1 39 ALA HB2 H -3.675 6.567 6.268 1.00 . A A . 39 ALA HB2 1 1 9 7273 1 1 39 ALA HB3 H -4.301 8.155 6.707 1.00 . A A . 39 ALA HB3 1 1 9 7274 1 1 39 ALA N N -4.675 9.048 4.213 1.00 . A A . 39 ALA N 1 1 9 7275 1 1 39 ALA O O -6.826 7.520 5.288 1.00 . A A . 39 ALA O 1 1 9 7276 1 1 40 ALA C C -7.470 4.542 5.754 1.00 . A A . 40 ALA C 1 1 9 7277 1 1 40 ALA CA C -7.150 4.945 4.320 1.00 . A A . 40 ALA CA 1 1 9 7278 1 1 40 ALA CB C -7.032 3.715 3.432 1.00 . A A . 40 ALA CB 1 1 9 7279 1 1 40 ALA H H -5.124 5.338 3.858 1.00 . A A . 40 ALA H 1 1 9 7280 1 1 40 ALA HA H -7.954 5.558 3.942 1.00 . A A . 40 ALA HA 1 1 9 7281 1 1 40 ALA HB1 H -7.105 2.824 4.038 1.00 . A A . 40 ALA HB1 1 1 9 7282 1 1 40 ALA HB2 H -6.080 3.729 2.924 1.00 . A A . 40 ALA HB2 1 1 9 7283 1 1 40 ALA HB3 H -7.829 3.721 2.702 1.00 . A A . 40 ALA HB3 1 1 9 7284 1 1 40 ALA N N -5.925 5.730 4.263 1.00 . A A . 40 ALA N 1 1 9 7285 1 1 40 ALA O O -6.578 4.425 6.593 1.00 . A A . 40 ALA O 1 1 9 7286 1 1 41 LYS C C -8.615 2.609 7.791 1.00 . A A . 41 LYS C 1 1 9 7287 1 1 41 LYS CA C -9.196 3.956 7.365 1.00 . A A . 41 LYS CA 1 1 9 7288 1 1 41 LYS CB C -10.726 3.903 7.419 1.00 . A A . 41 LYS CB 1 1 9 7289 1 1 41 LYS CD C -12.847 4.744 8.474 1.00 . A A . 41 LYS CD 1 1 9 7290 1 1 41 LYS CE C -13.557 5.867 7.736 1.00 . A A . 41 LYS CE 1 1 9 7291 1 1 41 LYS CG C -11.335 4.892 8.398 1.00 . A A . 41 LYS CG 1 1 9 7292 1 1 41 LYS H H -9.417 4.450 5.320 1.00 . A A . 41 LYS H 1 1 9 7293 1 1 41 LYS HA H -8.851 4.714 8.054 1.00 . A A . 41 LYS HA 1 1 9 7294 1 1 41 LYS HB2 H -11.117 4.117 6.435 1.00 . A A . 41 LYS HB2 1 1 9 7295 1 1 41 LYS HB3 H -11.032 2.908 7.708 1.00 . A A . 41 LYS HB3 1 1 9 7296 1 1 41 LYS HD2 H -13.130 3.801 8.029 1.00 . A A . 41 LYS HD2 1 1 9 7297 1 1 41 LYS HD3 H -13.148 4.758 9.511 1.00 . A A . 41 LYS HD3 1 1 9 7298 1 1 41 LYS HE2 H -12.859 6.675 7.576 1.00 . A A . 41 LYS HE2 1 1 9 7299 1 1 41 LYS HE3 H -13.899 5.495 6.782 1.00 . A A . 41 LYS HE3 1 1 9 7300 1 1 41 LYS HG2 H -10.917 4.717 9.378 1.00 . A A . 41 LYS HG2 1 1 9 7301 1 1 41 LYS HG3 H -11.097 5.896 8.076 1.00 . A A . 41 LYS HG3 1 1 9 7302 1 1 41 LYS HZ1 H -14.401 6.901 9.344 1.00 . A A . 41 LYS HZ1 1 1 9 7303 1 1 41 LYS HZ2 H -15.329 5.592 8.809 1.00 . A A . 41 LYS HZ2 1 1 9 7304 1 1 41 LYS HZ3 H -15.288 7.023 7.908 1.00 . A A . 41 LYS HZ3 1 1 9 7305 1 1 41 LYS N N -8.752 4.337 6.031 1.00 . A A . 41 LYS N 1 1 9 7306 1 1 41 LYS NZ N -14.725 6.382 8.503 1.00 . A A . 41 LYS NZ 1 1 9 7307 1 1 41 LYS O O -7.846 2.528 8.749 1.00 . A A . 41 LYS O 1 1 9 7308 1 1 42 ARG C C -7.257 -0.167 6.702 1.00 . A A . 42 ARG C 1 1 9 7309 1 1 42 ARG CA C -8.558 0.201 7.418 1.00 . A A . 42 ARG CA 1 1 9 7310 1 1 42 ARG CB C -9.649 -0.817 7.074 1.00 . A A . 42 ARG CB 1 1 9 7311 1 1 42 ARG CD C -11.884 -1.499 7.999 1.00 . A A . 42 ARG CD 1 1 9 7312 1 1 42 ARG CG C -10.400 -1.340 8.288 1.00 . A A . 42 ARG CG 1 1 9 7313 1 1 42 ARG CZ C -13.267 -2.897 6.512 1.00 . A A . 42 ARG CZ 1 1 9 7314 1 1 42 ARG H H -9.640 1.671 6.356 1.00 . A A . 42 ARG H 1 1 9 7315 1 1 42 ARG HA H -8.386 0.168 8.480 1.00 . A A . 42 ARG HA 1 1 9 7316 1 1 42 ARG HB2 H -10.365 -0.354 6.410 1.00 . A A . 42 ARG HB2 1 1 9 7317 1 1 42 ARG HB3 H -9.195 -1.657 6.572 1.00 . A A . 42 ARG HB3 1 1 9 7318 1 1 42 ARG HD2 H -12.349 -2.002 8.833 1.00 . A A . 42 ARG HD2 1 1 9 7319 1 1 42 ARG HD3 H -12.322 -0.520 7.879 1.00 . A A . 42 ARG HD3 1 1 9 7320 1 1 42 ARG HE H -11.388 -2.342 6.140 1.00 . A A . 42 ARG HE 1 1 9 7321 1 1 42 ARG HG2 H -9.994 -2.301 8.564 1.00 . A A . 42 ARG HG2 1 1 9 7322 1 1 42 ARG HG3 H -10.275 -0.644 9.105 1.00 . A A . 42 ARG HG3 1 1 9 7323 1 1 42 ARG HH11 H -14.200 -2.306 8.206 1.00 . A A . 42 ARG HH11 1 1 9 7324 1 1 42 ARG HH12 H -15.144 -3.295 7.146 1.00 . A A . 42 ARG HH12 1 1 9 7325 1 1 42 ARG HH21 H -12.627 -3.644 4.745 1.00 . A A . 42 ARG HH21 1 1 9 7326 1 1 42 ARG HH22 H -14.252 -4.056 5.181 1.00 . A A . 42 ARG HH22 1 1 9 7327 1 1 42 ARG N N -9.011 1.549 7.092 1.00 . A A . 42 ARG N 1 1 9 7328 1 1 42 ARG NE N -12.122 -2.277 6.784 1.00 . A A . 42 ARG NE 1 1 9 7329 1 1 42 ARG NH1 N -14.287 -2.827 7.358 1.00 . A A . 42 ARG NH1 1 1 9 7330 1 1 42 ARG NH2 N -13.392 -3.589 5.387 1.00 . A A . 42 ARG NH2 1 1 9 7331 1 1 42 ARG O O -6.293 -0.593 7.338 1.00 . A A . 42 ARG O 1 1 9 7332 1 1 43 ASN C C -5.078 0.792 4.549 1.00 . A A . 43 ASN C 1 1 9 7333 1 1 43 ASN CA C -6.069 -0.374 4.593 1.00 . A A . 43 ASN CA 1 1 9 7334 1 1 43 ASN CB C -6.520 -0.827 3.195 1.00 . A A . 43 ASN CB 1 1 9 7335 1 1 43 ASN CG C -5.737 -0.213 2.055 1.00 . A A . 43 ASN CG 1 1 9 7336 1 1 43 ASN H H -8.044 0.294 4.913 1.00 . A A . 43 ASN H 1 1 9 7337 1 1 43 ASN HA H -5.587 -1.203 5.085 1.00 . A A . 43 ASN HA 1 1 9 7338 1 1 43 ASN HB2 H -6.420 -1.898 3.129 1.00 . A A . 43 ASN HB2 1 1 9 7339 1 1 43 ASN HB3 H -7.562 -0.567 3.067 1.00 . A A . 43 ASN HB3 1 1 9 7340 1 1 43 ASN HD21 H -6.989 1.328 2.050 1.00 . A A . 43 ASN HD21 1 1 9 7341 1 1 43 ASN HD22 H -5.717 1.387 0.874 1.00 . A A . 43 ASN HD22 1 1 9 7342 1 1 43 ASN N N -7.243 -0.032 5.379 1.00 . A A . 43 ASN N 1 1 9 7343 1 1 43 ASN ND2 N -6.191 0.952 1.613 1.00 . A A . 43 ASN ND2 1 1 9 7344 1 1 43 ASN O O -5.212 1.721 3.755 1.00 . A A . 43 ASN O 1 1 9 7345 1 1 43 ASN OD1 O -4.750 -0.774 1.579 1.00 . A A . 43 ASN OD1 1 1 9 7346 1 1 44 ASN C C -1.791 1.220 6.149 1.00 . A A . 44 ASN C 1 1 9 7347 1 1 44 ASN CA C -3.065 1.768 5.515 1.00 . A A . 44 ASN CA 1 1 9 7348 1 1 44 ASN CB C -3.585 2.948 6.335 1.00 . A A . 44 ASN CB 1 1 9 7349 1 1 44 ASN CG C -4.042 2.531 7.719 1.00 . A A . 44 ASN CG 1 1 9 7350 1 1 44 ASN H H -4.038 -0.030 6.043 1.00 . A A . 44 ASN H 1 1 9 7351 1 1 44 ASN HA H -2.843 2.104 4.514 1.00 . A A . 44 ASN HA 1 1 9 7352 1 1 44 ASN HB2 H -2.800 3.682 6.440 1.00 . A A . 44 ASN HB2 1 1 9 7353 1 1 44 ASN HB3 H -4.421 3.393 5.818 1.00 . A A . 44 ASN HB3 1 1 9 7354 1 1 44 ASN HD21 H -5.736 1.811 6.969 1.00 . A A . 44 ASN HD21 1 1 9 7355 1 1 44 ASN HD22 H -5.550 1.662 8.680 1.00 . A A . 44 ASN HD22 1 1 9 7356 1 1 44 ASN N N -4.084 0.731 5.430 1.00 . A A . 44 ASN N 1 1 9 7357 1 1 44 ASN ND2 N -5.229 1.941 7.797 1.00 . A A . 44 ASN ND2 1 1 9 7358 1 1 44 ASN O O -1.670 1.172 7.373 1.00 . A A . 44 ASN O 1 1 9 7359 1 1 44 ASN OD1 O -3.335 2.733 8.706 1.00 . A A . 44 ASN OD1 1 1 9 7360 1 1 45 PHE C C 1.537 1.269 5.666 1.00 . A A . 45 PHE C 1 1 9 7361 1 1 45 PHE CA C 0.410 0.255 5.806 1.00 . A A . 45 PHE CA 1 1 9 7362 1 1 45 PHE CB C 0.763 -1.016 5.038 1.00 . A A . 45 PHE CB 1 1 9 7363 1 1 45 PHE CD1 C -1.393 -2.124 4.379 1.00 . A A . 45 PHE CD1 1 1 9 7364 1 1 45 PHE CD2 C -0.115 -3.087 6.149 1.00 . A A . 45 PHE CD2 1 1 9 7365 1 1 45 PHE CE1 C -2.347 -3.115 4.525 1.00 . A A . 45 PHE CE1 1 1 9 7366 1 1 45 PHE CE2 C -1.066 -4.078 6.301 1.00 . A A . 45 PHE CE2 1 1 9 7367 1 1 45 PHE CG C -0.267 -2.101 5.188 1.00 . A A . 45 PHE CG 1 1 9 7368 1 1 45 PHE CZ C -2.184 -4.092 5.488 1.00 . A A . 45 PHE CZ 1 1 9 7369 1 1 45 PHE H H -0.991 0.855 4.348 1.00 . A A . 45 PHE H 1 1 9 7370 1 1 45 PHE HA H 0.283 0.009 6.853 1.00 . A A . 45 PHE HA 1 1 9 7371 1 1 45 PHE HB2 H 0.853 -0.781 3.986 1.00 . A A . 45 PHE HB2 1 1 9 7372 1 1 45 PHE HB3 H 1.705 -1.395 5.402 1.00 . A A . 45 PHE HB3 1 1 9 7373 1 1 45 PHE HD1 H -1.521 -1.361 3.626 1.00 . A A . 45 PHE HD1 1 1 9 7374 1 1 45 PHE HD2 H 0.759 -3.077 6.785 1.00 . A A . 45 PHE HD2 1 1 9 7375 1 1 45 PHE HE1 H -3.220 -3.123 3.889 1.00 . A A . 45 PHE HE1 1 1 9 7376 1 1 45 PHE HE2 H -0.935 -4.841 7.054 1.00 . A A . 45 PHE HE2 1 1 9 7377 1 1 45 PHE HZ H -2.928 -4.866 5.605 1.00 . A A . 45 PHE HZ 1 1 9 7378 1 1 45 PHE N N -0.844 0.802 5.315 1.00 . A A . 45 PHE N 1 1 9 7379 1 1 45 PHE O O 1.753 1.826 4.590 1.00 . A A . 45 PHE O 1 1 9 7380 1 1 46 LYS C C 4.473 1.970 5.803 1.00 . A A . 46 LYS C 1 1 9 7381 1 1 46 LYS CA C 3.369 2.439 6.749 1.00 . A A . 46 LYS CA 1 1 9 7382 1 1 46 LYS CB C 3.925 2.615 8.164 1.00 . A A . 46 LYS CB 1 1 9 7383 1 1 46 LYS CD C 3.754 3.802 10.374 1.00 . A A . 46 LYS CD 1 1 9 7384 1 1 46 LYS CE C 2.881 4.708 11.226 1.00 . A A . 46 LYS CE 1 1 9 7385 1 1 46 LYS CG C 3.266 3.748 8.936 1.00 . A A . 46 LYS CG 1 1 9 7386 1 1 46 LYS H H 2.040 1.019 7.584 1.00 . A A . 46 LYS H 1 1 9 7387 1 1 46 LYS HA H 2.993 3.391 6.401 1.00 . A A . 46 LYS HA 1 1 9 7388 1 1 46 LYS HB2 H 3.776 1.697 8.715 1.00 . A A . 46 LYS HB2 1 1 9 7389 1 1 46 LYS HB3 H 4.984 2.818 8.100 1.00 . A A . 46 LYS HB3 1 1 9 7390 1 1 46 LYS HD2 H 3.732 2.804 10.788 1.00 . A A . 46 LYS HD2 1 1 9 7391 1 1 46 LYS HD3 H 4.767 4.175 10.386 1.00 . A A . 46 LYS HD3 1 1 9 7392 1 1 46 LYS HE2 H 2.466 5.482 10.597 1.00 . A A . 46 LYS HE2 1 1 9 7393 1 1 46 LYS HE3 H 2.080 4.121 11.649 1.00 . A A . 46 LYS HE3 1 1 9 7394 1 1 46 LYS HG2 H 3.501 4.684 8.452 1.00 . A A . 46 LYS HG2 1 1 9 7395 1 1 46 LYS HG3 H 2.197 3.598 8.933 1.00 . A A . 46 LYS HG3 1 1 9 7396 1 1 46 LYS HZ1 H 4.330 6.031 11.943 1.00 . A A . 46 LYS HZ1 1 1 9 7397 1 1 46 LYS HZ2 H 4.176 4.620 12.864 1.00 . A A . 46 LYS HZ2 1 1 9 7398 1 1 46 LYS HZ3 H 3.006 5.836 12.980 1.00 . A A . 46 LYS HZ3 1 1 9 7399 1 1 46 LYS N N 2.257 1.499 6.757 1.00 . A A . 46 LYS N 1 1 9 7400 1 1 46 LYS NZ N 3.652 5.343 12.330 1.00 . A A . 46 LYS NZ 1 1 9 7401 1 1 46 LYS O O 5.375 2.734 5.463 1.00 . A A . 46 LYS O 1 1 9 7402 1 1 47 SER C C 4.730 -0.760 3.444 1.00 . A A . 47 SER C 1 1 9 7403 1 1 47 SER CA C 5.382 0.150 4.466 1.00 . A A . 47 SER CA 1 1 9 7404 1 1 47 SER CB C 6.455 -0.625 5.229 1.00 . A A . 47 SER CB 1 1 9 7405 1 1 47 SER H H 3.651 0.144 5.670 1.00 . A A . 47 SER H 1 1 9 7406 1 1 47 SER HA H 5.851 0.971 3.947 1.00 . A A . 47 SER HA 1 1 9 7407 1 1 47 SER HB2 H 6.627 -1.574 4.737 1.00 . A A . 47 SER HB2 1 1 9 7408 1 1 47 SER HB3 H 7.367 -0.053 5.232 1.00 . A A . 47 SER HB3 1 1 9 7409 1 1 47 SER HG H 6.040 -0.050 7.055 1.00 . A A . 47 SER HG 1 1 9 7410 1 1 47 SER N N 4.395 0.709 5.375 1.00 . A A . 47 SER N 1 1 9 7411 1 1 47 SER O O 3.800 -1.503 3.758 1.00 . A A . 47 SER O 1 1 9 7412 1 1 47 SER OG O 6.056 -0.876 6.565 1.00 . A A . 47 SER OG 1 1 9 7413 1 1 48 ALA C C 4.882 -3.007 1.492 1.00 . A A . 48 ALA C 1 1 9 7414 1 1 48 ALA CA C 4.706 -1.538 1.156 1.00 . A A . 48 ALA CA 1 1 9 7415 1 1 48 ALA CB C 5.368 -1.205 -0.172 1.00 . A A . 48 ALA CB 1 1 9 7416 1 1 48 ALA H H 5.989 -0.106 2.044 1.00 . A A . 48 ALA H 1 1 9 7417 1 1 48 ALA HA H 3.645 -1.331 1.076 1.00 . A A . 48 ALA HA 1 1 9 7418 1 1 48 ALA HB1 H 6.368 -0.838 0.007 1.00 . A A . 48 ALA HB1 1 1 9 7419 1 1 48 ALA HB2 H 4.792 -0.448 -0.683 1.00 . A A . 48 ALA HB2 1 1 9 7420 1 1 48 ALA HB3 H 5.416 -2.094 -0.783 1.00 . A A . 48 ALA HB3 1 1 9 7421 1 1 48 ALA N N 5.236 -0.709 2.224 1.00 . A A . 48 ALA N 1 1 9 7422 1 1 48 ALA O O 4.001 -3.824 1.226 1.00 . A A . 48 ALA O 1 1 9 7423 1 1 49 GLU C C 5.177 -5.158 3.446 1.00 . A A . 49 GLU C 1 1 9 7424 1 1 49 GLU CA C 6.276 -4.708 2.498 1.00 . A A . 49 GLU CA 1 1 9 7425 1 1 49 GLU CB C 7.645 -4.829 3.172 1.00 . A A . 49 GLU CB 1 1 9 7426 1 1 49 GLU CD C 9.477 -6.512 3.611 1.00 . A A . 49 GLU CD 1 1 9 7427 1 1 49 GLU CG C 7.984 -6.246 3.606 1.00 . A A . 49 GLU CG 1 1 9 7428 1 1 49 GLU H H 6.673 -2.641 2.309 1.00 . A A . 49 GLU H 1 1 9 7429 1 1 49 GLU HA H 6.252 -5.325 1.612 1.00 . A A . 49 GLU HA 1 1 9 7430 1 1 49 GLU HB2 H 8.404 -4.496 2.478 1.00 . A A . 49 GLU HB2 1 1 9 7431 1 1 49 GLU HB3 H 7.662 -4.194 4.045 1.00 . A A . 49 GLU HB3 1 1 9 7432 1 1 49 GLU HG2 H 7.603 -6.404 4.603 1.00 . A A . 49 GLU HG2 1 1 9 7433 1 1 49 GLU HG3 H 7.512 -6.939 2.926 1.00 . A A . 49 GLU HG3 1 1 9 7434 1 1 49 GLU N N 6.014 -3.336 2.104 1.00 . A A . 49 GLU N 1 1 9 7435 1 1 49 GLU O O 4.695 -6.288 3.373 1.00 . A A . 49 GLU O 1 1 9 7436 1 1 49 GLU OE1 O 10.056 -6.672 2.516 1.00 . A A . 49 GLU OE1 1 1 9 7437 1 1 49 GLU OE2 O 10.067 -6.561 4.711 1.00 . A A . 49 GLU OE2 1 1 9 7438 1 1 50 ASP C C 2.375 -4.740 4.516 1.00 . A A . 50 ASP C 1 1 9 7439 1 1 50 ASP CA C 3.691 -4.515 5.259 1.00 . A A . 50 ASP CA 1 1 9 7440 1 1 50 ASP CB C 3.549 -3.368 6.259 1.00 . A A . 50 ASP CB 1 1 9 7441 1 1 50 ASP CG C 3.514 -3.854 7.695 1.00 . A A . 50 ASP CG 1 1 9 7442 1 1 50 ASP H H 5.171 -3.345 4.302 1.00 . A A . 50 ASP H 1 1 9 7443 1 1 50 ASP HA H 3.947 -5.419 5.794 1.00 . A A . 50 ASP HA 1 1 9 7444 1 1 50 ASP HB2 H 4.386 -2.693 6.147 1.00 . A A . 50 ASP HB2 1 1 9 7445 1 1 50 ASP HB3 H 2.632 -2.835 6.058 1.00 . A A . 50 ASP HB3 1 1 9 7446 1 1 50 ASP N N 4.760 -4.239 4.314 1.00 . A A . 50 ASP N 1 1 9 7447 1 1 50 ASP O O 1.630 -5.673 4.825 1.00 . A A . 50 ASP O 1 1 9 7448 1 1 50 ASP OD1 O 2.857 -4.884 7.957 1.00 . A A . 50 ASP OD1 1 1 9 7449 1 1 50 ASP OD2 O 4.141 -3.206 8.558 1.00 . A A . 50 ASP OD2 1 1 9 7450 1 1 51 CYS C C 0.848 -5.362 2.023 1.00 . A A . 51 CYS C 1 1 9 7451 1 1 51 CYS CA C 0.866 -4.017 2.743 1.00 . A A . 51 CYS CA 1 1 9 7452 1 1 51 CYS CB C 0.766 -2.870 1.726 1.00 . A A . 51 CYS CB 1 1 9 7453 1 1 51 CYS H H 2.722 -3.157 3.307 1.00 . A A . 51 CYS H 1 1 9 7454 1 1 51 CYS HA H 0.024 -3.967 3.424 1.00 . A A . 51 CYS HA 1 1 9 7455 1 1 51 CYS HB2 H 0.434 -1.976 2.237 1.00 . A A . 51 CYS HB2 1 1 9 7456 1 1 51 CYS HB3 H 1.745 -2.693 1.300 1.00 . A A . 51 CYS HB3 1 1 9 7457 1 1 51 CYS N N 2.093 -3.887 3.523 1.00 . A A . 51 CYS N 1 1 9 7458 1 1 51 CYS O O -0.083 -6.151 2.180 1.00 . A A . 51 CYS O 1 1 9 7459 1 1 51 CYS SG S -0.393 -3.171 0.344 1.00 . A A . 51 CYS SG 1 1 9 7460 1 1 52 LEU C C 1.843 -8.076 1.421 1.00 . A A . 52 LEU C 1 1 9 7461 1 1 52 LEU CA C 2.006 -6.871 0.503 1.00 . A A . 52 LEU CA 1 1 9 7462 1 1 52 LEU CB C 3.355 -6.941 -0.215 1.00 . A A . 52 LEU CB 1 1 9 7463 1 1 52 LEU CD1 C 4.934 -6.034 -1.934 1.00 . A A . 52 LEU CD1 1 1 9 7464 1 1 52 LEU CD2 C 2.496 -6.214 -2.456 1.00 . A A . 52 LEU CD2 1 1 9 7465 1 1 52 LEU CG C 3.527 -5.951 -1.368 1.00 . A A . 52 LEU CG 1 1 9 7466 1 1 52 LEU H H 2.610 -4.957 1.171 1.00 . A A . 52 LEU H 1 1 9 7467 1 1 52 LEU HA H 1.217 -6.887 -0.236 1.00 . A A . 52 LEU HA 1 1 9 7468 1 1 52 LEU HB2 H 4.136 -6.757 0.509 1.00 . A A . 52 LEU HB2 1 1 9 7469 1 1 52 LEU HB3 H 3.479 -7.940 -0.608 1.00 . A A . 52 LEU HB3 1 1 9 7470 1 1 52 LEU HD11 H 5.073 -6.992 -2.411 1.00 . A A . 52 LEU HD11 1 1 9 7471 1 1 52 LEU HD12 H 5.651 -5.923 -1.133 1.00 . A A . 52 LEU HD12 1 1 9 7472 1 1 52 LEU HD13 H 5.079 -5.247 -2.658 1.00 . A A . 52 LEU HD13 1 1 9 7473 1 1 52 LEU HD21 H 2.571 -5.448 -3.214 1.00 . A A . 52 LEU HD21 1 1 9 7474 1 1 52 LEU HD22 H 1.505 -6.197 -2.027 1.00 . A A . 52 LEU HD22 1 1 9 7475 1 1 52 LEU HD23 H 2.680 -7.180 -2.902 1.00 . A A . 52 LEU HD23 1 1 9 7476 1 1 52 LEU HG H 3.374 -4.948 -0.996 1.00 . A A . 52 LEU HG 1 1 9 7477 1 1 52 LEU N N 1.893 -5.621 1.245 1.00 . A A . 52 LEU N 1 1 9 7478 1 1 52 LEU O O 1.154 -9.035 1.084 1.00 . A A . 52 LEU O 1 1 9 7479 1 1 53 ARG C C 0.914 -9.394 3.903 1.00 . A A . 53 ARG C 1 1 9 7480 1 1 53 ARG CA C 2.370 -9.126 3.543 1.00 . A A . 53 ARG CA 1 1 9 7481 1 1 53 ARG CB C 3.171 -8.815 4.809 1.00 . A A . 53 ARG CB 1 1 9 7482 1 1 53 ARG CD C 2.431 -10.400 6.615 1.00 . A A . 53 ARG CD 1 1 9 7483 1 1 53 ARG CG C 3.528 -10.049 5.623 1.00 . A A . 53 ARG CG 1 1 9 7484 1 1 53 ARG CZ C 3.257 -12.502 7.607 1.00 . A A . 53 ARG CZ 1 1 9 7485 1 1 53 ARG H H 2.998 -7.234 2.820 1.00 . A A . 53 ARG H 1 1 9 7486 1 1 53 ARG HA H 2.782 -10.007 3.074 1.00 . A A . 53 ARG HA 1 1 9 7487 1 1 53 ARG HB2 H 4.089 -8.318 4.530 1.00 . A A . 53 ARG HB2 1 1 9 7488 1 1 53 ARG HB3 H 2.592 -8.153 5.435 1.00 . A A . 53 ARG HB3 1 1 9 7489 1 1 53 ARG HD2 H 2.626 -9.887 7.545 1.00 . A A . 53 ARG HD2 1 1 9 7490 1 1 53 ARG HD3 H 1.483 -10.073 6.216 1.00 . A A . 53 ARG HD3 1 1 9 7491 1 1 53 ARG HE H 1.619 -12.335 6.477 1.00 . A A . 53 ARG HE 1 1 9 7492 1 1 53 ARG HG2 H 3.671 -10.881 4.950 1.00 . A A . 53 ARG HG2 1 1 9 7493 1 1 53 ARG HG3 H 4.444 -9.859 6.163 1.00 . A A . 53 ARG HG3 1 1 9 7494 1 1 53 ARG HH11 H 4.383 -10.876 8.031 1.00 . A A . 53 ARG HH11 1 1 9 7495 1 1 53 ARG HH12 H 4.944 -12.366 8.712 1.00 . A A . 53 ARG HH12 1 1 9 7496 1 1 53 ARG HH21 H 2.356 -14.295 7.373 1.00 . A A . 53 ARG HH21 1 1 9 7497 1 1 53 ARG HH22 H 3.795 -14.307 8.338 1.00 . A A . 53 ARG HH22 1 1 9 7498 1 1 53 ARG N N 2.467 -8.024 2.591 1.00 . A A . 53 ARG N 1 1 9 7499 1 1 53 ARG NE N 2.366 -11.838 6.874 1.00 . A A . 53 ARG NE 1 1 9 7500 1 1 53 ARG NH1 N 4.278 -11.862 8.163 1.00 . A A . 53 ARG NH1 1 1 9 7501 1 1 53 ARG NH2 N 3.124 -13.808 7.788 1.00 . A A . 53 ARG NH2 1 1 9 7502 1 1 53 ARG O O 0.457 -10.537 3.877 1.00 . A A . 53 ARG O 1 1 9 7503 1 1 54 THR C C -2.120 -8.567 3.376 1.00 . A A . 54 THR C 1 1 9 7504 1 1 54 THR CA C -1.218 -8.453 4.606 1.00 . A A . 54 THR CA 1 1 9 7505 1 1 54 THR CB C -1.641 -7.248 5.446 1.00 . A A . 54 THR CB 1 1 9 7506 1 1 54 THR CG2 C -2.977 -7.435 6.134 1.00 . A A . 54 THR CG2 1 1 9 7507 1 1 54 THR H H 0.610 -7.446 4.239 1.00 . A A . 54 THR H 1 1 9 7508 1 1 54 THR HA H -1.329 -9.347 5.202 1.00 . A A . 54 THR HA 1 1 9 7509 1 1 54 THR HB H -1.719 -6.383 4.803 1.00 . A A . 54 THR HB 1 1 9 7510 1 1 54 THR HG1 H 0.099 -6.577 6.043 1.00 . A A . 54 THR HG1 1 1 9 7511 1 1 54 THR HG21 H -3.699 -6.752 5.712 1.00 . A A . 54 THR HG21 1 1 9 7512 1 1 54 THR HG22 H -2.869 -7.237 7.190 1.00 . A A . 54 THR HG22 1 1 9 7513 1 1 54 THR HG23 H -3.316 -8.450 5.991 1.00 . A A . 54 THR HG23 1 1 9 7514 1 1 54 THR N N 0.189 -8.333 4.238 1.00 . A A . 54 THR N 1 1 9 7515 1 1 54 THR O O -2.816 -9.566 3.194 1.00 . A A . 54 THR O 1 1 9 7516 1 1 54 THR OG1 O -0.677 -6.973 6.448 1.00 . A A . 54 THR OG1 1 1 9 7517 1 1 55 CYS C C -2.449 -8.410 0.259 1.00 . A A . 55 CYS C 1 1 9 7518 1 1 55 CYS CA C -2.959 -7.478 1.358 1.00 . A A . 55 CYS CA 1 1 9 7519 1 1 55 CYS CB C -3.037 -6.045 0.822 1.00 . A A . 55 CYS CB 1 1 9 7520 1 1 55 CYS H H -1.571 -6.744 2.773 1.00 . A A . 55 CYS H 1 1 9 7521 1 1 55 CYS HA H -3.946 -7.796 1.642 1.00 . A A . 55 CYS HA 1 1 9 7522 1 1 55 CYS HB2 H -2.131 -5.517 1.086 1.00 . A A . 55 CYS HB2 1 1 9 7523 1 1 55 CYS HB3 H -3.123 -6.078 -0.253 1.00 . A A . 55 CYS HB3 1 1 9 7524 1 1 55 CYS N N -2.125 -7.520 2.556 1.00 . A A . 55 CYS N 1 1 9 7525 1 1 55 CYS O O -3.234 -9.117 -0.374 1.00 . A A . 55 CYS O 1 1 9 7526 1 1 55 CYS SG S -4.447 -5.086 1.464 1.00 . A A . 55 CYS SG 1 1 9 7527 1 1 56 GLY C C -0.914 -10.709 -0.835 1.00 . A A . 56 GLY C 1 1 9 7528 1 1 56 GLY CA C -0.571 -9.242 -1.019 1.00 . A A . 56 GLY CA 1 1 9 7529 1 1 56 GLY H H -0.558 -7.808 0.544 1.00 . A A . 56 GLY H 1 1 9 7530 1 1 56 GLY HA2 H -0.949 -8.916 -1.977 1.00 . A A . 56 GLY HA2 1 1 9 7531 1 1 56 GLY HA3 H 0.505 -9.131 -1.016 1.00 . A A . 56 GLY HA3 1 1 9 7532 1 1 56 GLY N N -1.142 -8.398 0.019 1.00 . A A . 56 GLY N 1 1 9 7533 1 1 56 GLY O O -1.631 -11.291 -1.648 1.00 . A A . 56 GLY O 1 1 9 7534 1 1 57 GLY C C -2.141 -12.984 0.733 1.00 . A A . 57 GLY C 1 1 9 7535 1 1 57 GLY CA C -0.668 -12.711 0.498 1.00 . A A . 57 GLY CA 1 1 9 7536 1 1 57 GLY H H 0.169 -10.796 0.846 1.00 . A A . 57 GLY H 1 1 9 7537 1 1 57 GLY HA2 H -0.336 -13.294 -0.348 1.00 . A A . 57 GLY HA2 1 1 9 7538 1 1 57 GLY HA3 H -0.111 -13.015 1.373 1.00 . A A . 57 GLY HA3 1 1 9 7539 1 1 57 GLY N N -0.399 -11.309 0.233 1.00 . A A . 57 GLY N 1 1 9 7540 1 1 57 GLY O O -2.934 -12.997 -0.209 1.00 . A A . 57 GLY O 1 1 9 7541 1 1 58 ALA C C -4.274 -14.917 2.012 1.00 . A A . 58 ALA C 1 1 9 7542 1 1 58 ALA CA C -3.894 -13.482 2.359 1.00 . A A . 58 ALA CA 1 1 9 7543 1 1 58 ALA CB C -4.840 -12.503 1.675 1.00 . A A . 58 ALA CB 1 1 9 7544 1 1 58 ALA H H -1.826 -13.180 2.699 1.00 . A A . 58 ALA H 1 1 9 7545 1 1 58 ALA HA H -3.986 -13.347 3.427 1.00 . A A . 58 ALA HA 1 1 9 7546 1 1 58 ALA HB1 H -4.993 -12.807 0.651 1.00 . A A . 58 ALA HB1 1 1 9 7547 1 1 58 ALA HB2 H -4.410 -11.512 1.698 1.00 . A A . 58 ALA HB2 1 1 9 7548 1 1 58 ALA HB3 H -5.787 -12.496 2.195 1.00 . A A . 58 ALA HB3 1 1 9 7549 1 1 58 ALA N N -2.507 -13.204 1.994 1.00 . A A . 58 ALA N 1 1 9 7550 1 1 58 ALA O O -4.553 -15.183 0.823 1.00 . A A . 58 ALA O 1 1 9 7551 1 1 58 ALA OXT O -4.288 -15.764 2.930 1.00 . A A . 58 ALA OXT 1 1 10 7552 1 1 1 ARG C C -8.332 -10.494 0.143 1.00 . A A . 1 ARG C 1 1 10 7553 1 1 1 ARG CA C -7.459 -10.882 -1.048 1.00 . A A . 1 ARG CA 1 1 10 7554 1 1 1 ARG CB C -8.241 -10.727 -2.353 1.00 . A A . 1 ARG CB 1 1 10 7555 1 1 1 ARG CD C -8.127 -8.564 -3.631 1.00 . A A . 1 ARG CD 1 1 10 7556 1 1 1 ARG CG C -8.850 -9.345 -2.545 1.00 . A A . 1 ARG CG 1 1 10 7557 1 1 1 ARG CZ C -9.420 -7.344 -5.352 1.00 . A A . 1 ARG CZ 1 1 10 7558 1 1 1 ARG H1 H -6.722 -12.461 0.046 1.00 . A A . 1 ARG H1 1 1 10 7559 1 1 1 ARG H2 H -6.187 -12.408 -1.584 1.00 . A A . 1 ARG H2 1 1 10 7560 1 1 1 ARG H3 H -7.789 -12.907 -1.219 1.00 . A A . 1 ARG H3 1 1 10 7561 1 1 1 ARG HA H -6.594 -10.240 -1.076 1.00 . A A . 1 ARG HA 1 1 10 7562 1 1 1 ARG HB2 H -7.574 -10.921 -3.177 1.00 . A A . 1 ARG HB2 1 1 10 7563 1 1 1 ARG HB3 H -9.039 -11.454 -2.368 1.00 . A A . 1 ARG HB3 1 1 10 7564 1 1 1 ARG HD2 H -7.199 -8.188 -3.227 1.00 . A A . 1 ARG HD2 1 1 10 7565 1 1 1 ARG HD3 H -7.915 -9.229 -4.454 1.00 . A A . 1 ARG HD3 1 1 10 7566 1 1 1 ARG HE H -9.098 -6.705 -3.489 1.00 . A A . 1 ARG HE 1 1 10 7567 1 1 1 ARG HG2 H -9.886 -9.455 -2.825 1.00 . A A . 1 ARG HG2 1 1 10 7568 1 1 1 ARG HG3 H -8.781 -8.799 -1.616 1.00 . A A . 1 ARG HG3 1 1 10 7569 1 1 1 ARG HH11 H -8.681 -9.115 -5.993 1.00 . A A . 1 ARG HH11 1 1 10 7570 1 1 1 ARG HH12 H -9.588 -8.224 -7.165 1.00 . A A . 1 ARG HH12 1 1 10 7571 1 1 1 ARG HH21 H -10.293 -5.550 -5.033 1.00 . A A . 1 ARG HH21 1 1 10 7572 1 1 1 ARG HH22 H -10.503 -6.204 -6.623 1.00 . A A . 1 ARG HH22 1 1 10 7573 1 1 1 ARG N N -6.997 -12.291 -0.941 1.00 . A A . 1 ARG N 1 1 10 7574 1 1 1 ARG NE N -8.923 -7.436 -4.118 1.00 . A A . 1 ARG NE 1 1 10 7575 1 1 1 ARG NH1 N -9.211 -8.308 -6.242 1.00 . A A . 1 ARG NH1 1 1 10 7576 1 1 1 ARG NH2 N -10.131 -6.278 -5.697 1.00 . A A . 1 ARG NH2 1 1 10 7577 1 1 1 ARG O O -9.543 -10.710 0.130 1.00 . A A . 1 ARG O 1 1 10 7578 1 1 2 PRO C C -9.562 -8.505 2.069 1.00 . A A . 2 PRO C 1 1 10 7579 1 1 2 PRO CA C -8.457 -9.506 2.392 1.00 . A A . 2 PRO CA 1 1 10 7580 1 1 2 PRO CB C -7.389 -8.862 3.282 1.00 . A A . 2 PRO CB 1 1 10 7581 1 1 2 PRO CD C -6.282 -9.634 1.297 1.00 . A A . 2 PRO CD 1 1 10 7582 1 1 2 PRO CG C -6.077 -9.335 2.747 1.00 . A A . 2 PRO CG 1 1 10 7583 1 1 2 PRO HA H -8.888 -10.355 2.901 1.00 . A A . 2 PRO HA 1 1 10 7584 1 1 2 PRO HB2 H -7.470 -7.786 3.223 1.00 . A A . 2 PRO HB2 1 1 10 7585 1 1 2 PRO HB3 H -7.533 -9.186 4.304 1.00 . A A . 2 PRO HB3 1 1 10 7586 1 1 2 PRO HD2 H -6.015 -8.781 0.710 1.00 . A A . 2 PRO HD2 1 1 10 7587 1 1 2 PRO HD3 H -5.697 -10.494 1.003 1.00 . A A . 2 PRO HD3 1 1 10 7588 1 1 2 PRO HG2 H -5.334 -8.562 2.868 1.00 . A A . 2 PRO HG2 1 1 10 7589 1 1 2 PRO HG3 H -5.772 -10.223 3.261 1.00 . A A . 2 PRO HG3 1 1 10 7590 1 1 2 PRO N N -7.723 -9.920 1.194 1.00 . A A . 2 PRO N 1 1 10 7591 1 1 2 PRO O O -9.475 -7.761 1.094 1.00 . A A . 2 PRO O 1 1 10 7592 1 1 3 ASP C C -11.282 -6.158 2.463 1.00 . A A . 3 ASP C 1 1 10 7593 1 1 3 ASP CA C -11.740 -7.597 2.689 1.00 . A A . 3 ASP CA 1 1 10 7594 1 1 3 ASP CB C -12.684 -7.657 3.890 1.00 . A A . 3 ASP CB 1 1 10 7595 1 1 3 ASP CG C -13.562 -8.894 3.873 1.00 . A A . 3 ASP CG 1 1 10 7596 1 1 3 ASP H H -10.622 -9.120 3.647 1.00 . A A . 3 ASP H 1 1 10 7597 1 1 3 ASP HA H -12.271 -7.928 1.809 1.00 . A A . 3 ASP HA 1 1 10 7598 1 1 3 ASP HB2 H -12.101 -7.665 4.799 1.00 . A A . 3 ASP HB2 1 1 10 7599 1 1 3 ASP HB3 H -13.321 -6.785 3.883 1.00 . A A . 3 ASP HB3 1 1 10 7600 1 1 3 ASP N N -10.607 -8.499 2.890 1.00 . A A . 3 ASP N 1 1 10 7601 1 1 3 ASP O O -11.546 -5.575 1.414 1.00 . A A . 3 ASP O 1 1 10 7602 1 1 3 ASP OD1 O -13.041 -9.986 3.561 1.00 . A A . 3 ASP OD1 1 1 10 7603 1 1 3 ASP OD2 O -14.768 -8.770 4.171 1.00 . A A . 3 ASP OD2 1 1 10 7604 1 1 4 PHE C C -9.269 -4.015 2.096 1.00 . A A . 4 PHE C 1 1 10 7605 1 1 4 PHE CA C -10.124 -4.208 3.345 1.00 . A A . 4 PHE CA 1 1 10 7606 1 1 4 PHE CB C -9.325 -3.803 4.583 1.00 . A A . 4 PHE CB 1 1 10 7607 1 1 4 PHE CD1 C -7.156 -5.050 4.681 1.00 . A A . 4 PHE CD1 1 1 10 7608 1 1 4 PHE CD2 C -8.915 -5.724 6.139 1.00 . A A . 4 PHE CD2 1 1 10 7609 1 1 4 PHE CE1 C -6.342 -6.035 5.201 1.00 . A A . 4 PHE CE1 1 1 10 7610 1 1 4 PHE CE2 C -8.105 -6.709 6.665 1.00 . A A . 4 PHE CE2 1 1 10 7611 1 1 4 PHE CG C -8.449 -4.885 5.142 1.00 . A A . 4 PHE CG 1 1 10 7612 1 1 4 PHE CZ C -6.818 -6.866 6.195 1.00 . A A . 4 PHE CZ 1 1 10 7613 1 1 4 PHE H H -10.424 -6.095 4.268 1.00 . A A . 4 PHE H 1 1 10 7614 1 1 4 PHE HA H -10.993 -3.567 3.271 1.00 . A A . 4 PHE HA 1 1 10 7615 1 1 4 PHE HB2 H -8.687 -2.972 4.322 1.00 . A A . 4 PHE HB2 1 1 10 7616 1 1 4 PHE HB3 H -10.012 -3.494 5.360 1.00 . A A . 4 PHE HB3 1 1 10 7617 1 1 4 PHE HD1 H -6.783 -4.400 3.902 1.00 . A A . 4 PHE HD1 1 1 10 7618 1 1 4 PHE HD2 H -9.924 -5.604 6.505 1.00 . A A . 4 PHE HD2 1 1 10 7619 1 1 4 PHE HE1 H -5.335 -6.156 4.831 1.00 . A A . 4 PHE HE1 1 1 10 7620 1 1 4 PHE HE2 H -8.479 -7.358 7.443 1.00 . A A . 4 PHE HE2 1 1 10 7621 1 1 4 PHE HZ H -6.183 -7.637 6.604 1.00 . A A . 4 PHE HZ 1 1 10 7622 1 1 4 PHE N N -10.602 -5.585 3.452 1.00 . A A . 4 PHE N 1 1 10 7623 1 1 4 PHE O O -9.140 -2.902 1.589 1.00 . A A . 4 PHE O 1 1 10 7624 1 1 5 CYS C C -8.705 -4.533 -0.782 1.00 . A A . 5 CYS C 1 1 10 7625 1 1 5 CYS CA C -7.880 -5.050 0.389 1.00 . A A . 5 CYS CA 1 1 10 7626 1 1 5 CYS CB C -7.301 -6.433 0.069 1.00 . A A . 5 CYS CB 1 1 10 7627 1 1 5 CYS H H -8.857 -5.966 2.023 1.00 . A A . 5 CYS H 1 1 10 7628 1 1 5 CYS HA H -7.073 -4.361 0.573 1.00 . A A . 5 CYS HA 1 1 10 7629 1 1 5 CYS HB2 H -7.407 -7.067 0.936 1.00 . A A . 5 CYS HB2 1 1 10 7630 1 1 5 CYS HB3 H -7.853 -6.864 -0.753 1.00 . A A . 5 CYS HB3 1 1 10 7631 1 1 5 CYS N N -8.703 -5.107 1.591 1.00 . A A . 5 CYS N 1 1 10 7632 1 1 5 CYS O O -8.166 -4.039 -1.771 1.00 . A A . 5 CYS O 1 1 10 7633 1 1 5 CYS SG S -5.535 -6.428 -0.391 1.00 . A A . 5 CYS SG 1 1 10 7634 1 1 6 LEU C C -11.141 -2.642 -1.550 1.00 . A A . 6 LEU C 1 1 10 7635 1 1 6 LEU CA C -10.931 -4.151 -1.681 1.00 . A A . 6 LEU CA 1 1 10 7636 1 1 6 LEU CB C -12.283 -4.864 -1.578 1.00 . A A . 6 LEU CB 1 1 10 7637 1 1 6 LEU CD1 C -13.593 -6.935 -1.055 1.00 . A A . 6 LEU CD1 1 1 10 7638 1 1 6 LEU CD2 C -11.639 -7.056 -2.607 1.00 . A A . 6 LEU CD2 1 1 10 7639 1 1 6 LEU CG C -12.214 -6.379 -1.372 1.00 . A A . 6 LEU CG 1 1 10 7640 1 1 6 LEU H H -10.389 -5.019 0.173 1.00 . A A . 6 LEU H 1 1 10 7641 1 1 6 LEU HA H -10.487 -4.362 -2.645 1.00 . A A . 6 LEU HA 1 1 10 7642 1 1 6 LEU HB2 H -12.828 -4.435 -0.751 1.00 . A A . 6 LEU HB2 1 1 10 7643 1 1 6 LEU HB3 H -12.835 -4.673 -2.486 1.00 . A A . 6 LEU HB3 1 1 10 7644 1 1 6 LEU HD11 H -13.941 -6.521 -0.120 1.00 . A A . 6 LEU HD11 1 1 10 7645 1 1 6 LEU HD12 H -13.537 -8.010 -0.974 1.00 . A A . 6 LEU HD12 1 1 10 7646 1 1 6 LEU HD13 H -14.279 -6.667 -1.844 1.00 . A A . 6 LEU HD13 1 1 10 7647 1 1 6 LEU HD21 H -11.041 -7.903 -2.306 1.00 . A A . 6 LEU HD21 1 1 10 7648 1 1 6 LEU HD22 H -11.023 -6.353 -3.148 1.00 . A A . 6 LEU HD22 1 1 10 7649 1 1 6 LEU HD23 H -12.446 -7.392 -3.241 1.00 . A A . 6 LEU HD23 1 1 10 7650 1 1 6 LEU HG H -11.567 -6.597 -0.533 1.00 . A A . 6 LEU HG 1 1 10 7651 1 1 6 LEU N N -10.021 -4.629 -0.648 1.00 . A A . 6 LEU N 1 1 10 7652 1 1 6 LEU O O -11.610 -1.989 -2.482 1.00 . A A . 6 LEU O 1 1 10 7653 1 1 7 GLU C C -9.900 0.136 -0.906 1.00 . A A . 7 GLU C 1 1 10 7654 1 1 7 GLU CA C -10.938 -0.670 -0.128 1.00 . A A . 7 GLU CA 1 1 10 7655 1 1 7 GLU CB C -10.798 -0.382 1.369 1.00 . A A . 7 GLU CB 1 1 10 7656 1 1 7 GLU CD C -12.669 0.953 2.416 1.00 . A A . 7 GLU CD 1 1 10 7657 1 1 7 GLU CG C -11.296 0.995 1.774 1.00 . A A . 7 GLU CG 1 1 10 7658 1 1 7 GLU H H -10.427 -2.671 0.320 1.00 . A A . 7 GLU H 1 1 10 7659 1 1 7 GLU HA H -11.921 -0.376 -0.451 1.00 . A A . 7 GLU HA 1 1 10 7660 1 1 7 GLU HB2 H -11.359 -1.121 1.920 1.00 . A A . 7 GLU HB2 1 1 10 7661 1 1 7 GLU HB3 H -9.753 -0.457 1.642 1.00 . A A . 7 GLU HB3 1 1 10 7662 1 1 7 GLU HG2 H -10.599 1.424 2.480 1.00 . A A . 7 GLU HG2 1 1 10 7663 1 1 7 GLU HG3 H -11.345 1.620 0.894 1.00 . A A . 7 GLU HG3 1 1 10 7664 1 1 7 GLU N N -10.791 -2.098 -0.385 1.00 . A A . 7 GLU N 1 1 10 7665 1 1 7 GLU O O -8.702 0.029 -0.644 1.00 . A A . 7 GLU O 1 1 10 7666 1 1 7 GLU OE1 O -13.531 0.195 1.923 1.00 . A A . 7 GLU OE1 1 1 10 7667 1 1 7 GLU OE2 O -12.882 1.678 3.410 1.00 . A A . 7 GLU OE2 1 1 10 7668 1 1 8 PRO C C -9.112 3.106 -2.001 1.00 . A A . 8 PRO C 1 1 10 7669 1 1 8 PRO CA C -9.445 1.780 -2.678 1.00 . A A . 8 PRO CA 1 1 10 7670 1 1 8 PRO CB C -10.259 2.015 -3.945 1.00 . A A . 8 PRO CB 1 1 10 7671 1 1 8 PRO CD C -11.755 1.162 -2.260 1.00 . A A . 8 PRO CD 1 1 10 7672 1 1 8 PRO CG C -11.675 2.057 -3.475 1.00 . A A . 8 PRO CG 1 1 10 7673 1 1 8 PRO HA H -8.533 1.257 -2.918 1.00 . A A . 8 PRO HA 1 1 10 7674 1 1 8 PRO HB2 H -9.963 2.949 -4.400 1.00 . A A . 8 PRO HB2 1 1 10 7675 1 1 8 PRO HB3 H -10.098 1.201 -4.636 1.00 . A A . 8 PRO HB3 1 1 10 7676 1 1 8 PRO HD2 H -12.304 1.651 -1.469 1.00 . A A . 8 PRO HD2 1 1 10 7677 1 1 8 PRO HD3 H -12.222 0.222 -2.518 1.00 . A A . 8 PRO HD3 1 1 10 7678 1 1 8 PRO HG2 H -11.940 3.069 -3.209 1.00 . A A . 8 PRO HG2 1 1 10 7679 1 1 8 PRO HG3 H -12.329 1.690 -4.252 1.00 . A A . 8 PRO HG3 1 1 10 7680 1 1 8 PRO N N -10.343 0.959 -1.873 1.00 . A A . 8 PRO N 1 1 10 7681 1 1 8 PRO O O -9.866 3.587 -1.154 1.00 . A A . 8 PRO O 1 1 10 7682 1 1 9 PRO C C -8.172 6.169 -2.541 1.00 . A A . 9 PRO C 1 1 10 7683 1 1 9 PRO CA C -7.550 4.993 -1.799 1.00 . A A . 9 PRO CA 1 1 10 7684 1 1 9 PRO CB C -6.042 4.954 -2.006 1.00 . A A . 9 PRO CB 1 1 10 7685 1 1 9 PRO CD C -7.009 3.229 -3.372 1.00 . A A . 9 PRO CD 1 1 10 7686 1 1 9 PRO CG C -5.876 4.223 -3.297 1.00 . A A . 9 PRO CG 1 1 10 7687 1 1 9 PRO HA H -7.779 5.061 -0.748 1.00 . A A . 9 PRO HA 1 1 10 7688 1 1 9 PRO HB2 H -5.652 5.962 -2.060 1.00 . A A . 9 PRO HB2 1 1 10 7689 1 1 9 PRO HB3 H -5.579 4.423 -1.188 1.00 . A A . 9 PRO HB3 1 1 10 7690 1 1 9 PRO HD2 H -7.445 3.232 -4.363 1.00 . A A . 9 PRO HD2 1 1 10 7691 1 1 9 PRO HD3 H -6.652 2.241 -3.117 1.00 . A A . 9 PRO HD3 1 1 10 7692 1 1 9 PRO HG2 H -5.931 4.919 -4.120 1.00 . A A . 9 PRO HG2 1 1 10 7693 1 1 9 PRO HG3 H -4.933 3.705 -3.309 1.00 . A A . 9 PRO HG3 1 1 10 7694 1 1 9 PRO N N -7.975 3.720 -2.368 1.00 . A A . 9 PRO N 1 1 10 7695 1 1 9 PRO O O -8.882 5.980 -3.527 1.00 . A A . 9 PRO O 1 1 10 7696 1 1 10 TYR C C -7.633 9.806 -2.390 1.00 . A A . 10 TYR C 1 1 10 7697 1 1 10 TYR CA C -8.472 8.567 -2.686 1.00 . A A . 10 TYR CA 1 1 10 7698 1 1 10 TYR CB C -9.903 8.776 -2.198 1.00 . A A . 10 TYR CB 1 1 10 7699 1 1 10 TYR CD1 C -9.438 8.406 0.261 1.00 . A A . 10 TYR CD1 1 1 10 7700 1 1 10 TYR CD2 C -10.669 10.347 -0.371 1.00 . A A . 10 TYR CD2 1 1 10 7701 1 1 10 TYR CE1 C -9.530 8.775 1.591 1.00 . A A . 10 TYR CE1 1 1 10 7702 1 1 10 TYR CE2 C -10.765 10.723 0.957 1.00 . A A . 10 TYR CE2 1 1 10 7703 1 1 10 TYR CG C -10.005 9.184 -0.742 1.00 . A A . 10 TYR CG 1 1 10 7704 1 1 10 TYR CZ C -10.194 9.934 1.933 1.00 . A A . 10 TYR CZ 1 1 10 7705 1 1 10 TYR H H -7.361 7.472 -1.265 1.00 . A A . 10 TYR H 1 1 10 7706 1 1 10 TYR HA H -8.486 8.405 -3.754 1.00 . A A . 10 TYR HA 1 1 10 7707 1 1 10 TYR HB2 H -10.372 9.545 -2.792 1.00 . A A . 10 TYR HB2 1 1 10 7708 1 1 10 TYR HB3 H -10.443 7.852 -2.320 1.00 . A A . 10 TYR HB3 1 1 10 7709 1 1 10 TYR HD1 H -8.918 7.499 -0.007 1.00 . A A . 10 TYR HD1 1 1 10 7710 1 1 10 TYR HD2 H -11.116 10.963 -1.137 1.00 . A A . 10 TYR HD2 1 1 10 7711 1 1 10 TYR HE1 H -9.082 8.158 2.354 1.00 . A A . 10 TYR HE1 1 1 10 7712 1 1 10 TYR HE2 H -11.286 11.631 1.224 1.00 . A A . 10 TYR HE2 1 1 10 7713 1 1 10 TYR HH H -9.459 10.701 3.537 1.00 . A A . 10 TYR HH 1 1 10 7714 1 1 10 TYR N N -7.918 7.379 -2.060 1.00 . A A . 10 TYR N 1 1 10 7715 1 1 10 TYR O O -7.007 9.913 -1.335 1.00 . A A . 10 TYR O 1 1 10 7716 1 1 10 TYR OH O -10.288 10.305 3.255 1.00 . A A . 10 TYR OH 1 1 10 7717 1 1 11 ALA C C -7.850 13.172 -3.183 1.00 . A A . 11 ALA C 1 1 10 7718 1 1 11 ALA CA C -6.895 11.987 -3.182 1.00 . A A . 11 ALA CA 1 1 10 7719 1 1 11 ALA CB C -5.862 12.128 -4.291 1.00 . A A . 11 ALA CB 1 1 10 7720 1 1 11 ALA H H -8.163 10.599 -4.145 1.00 . A A . 11 ALA H 1 1 10 7721 1 1 11 ALA HA H -6.379 11.955 -2.237 1.00 . A A . 11 ALA HA 1 1 10 7722 1 1 11 ALA HB1 H -5.659 13.174 -4.463 1.00 . A A . 11 ALA HB1 1 1 10 7723 1 1 11 ALA HB2 H -6.243 11.681 -5.196 1.00 . A A . 11 ALA HB2 1 1 10 7724 1 1 11 ALA HB3 H -4.951 11.627 -3.998 1.00 . A A . 11 ALA HB3 1 1 10 7725 1 1 11 ALA N N -7.637 10.744 -3.332 1.00 . A A . 11 ALA N 1 1 10 7726 1 1 11 ALA O O -8.421 13.518 -4.217 1.00 . A A . 11 ALA O 1 1 10 7727 1 1 12 GLY C C -8.508 15.964 -0.924 1.00 . A A . 12 GLY C 1 1 10 7728 1 1 12 GLY CA C -8.949 14.908 -1.919 1.00 . A A . 12 GLY CA 1 1 10 7729 1 1 12 GLY H H -7.565 13.454 -1.222 1.00 . A A . 12 GLY H 1 1 10 7730 1 1 12 GLY HA2 H -9.035 15.368 -2.892 1.00 . A A . 12 GLY HA2 1 1 10 7731 1 1 12 GLY HA3 H -9.922 14.540 -1.625 1.00 . A A . 12 GLY HA3 1 1 10 7732 1 1 12 GLY N N -8.037 13.781 -2.018 1.00 . A A . 12 GLY N 1 1 10 7733 1 1 12 GLY O O -7.488 16.626 -1.121 1.00 . A A . 12 GLY O 1 1 10 7734 1 1 13 ALA C C -7.882 16.715 2.068 1.00 . A A . 13 ALA C 1 1 10 7735 1 1 13 ALA CA C -9.017 17.135 1.140 1.00 . A A . 13 ALA CA 1 1 10 7736 1 1 13 ALA CB C -10.271 17.437 1.942 1.00 . A A . 13 ALA CB 1 1 10 7737 1 1 13 ALA H H -10.096 15.614 0.218 1.00 . A A . 13 ALA H 1 1 10 7738 1 1 13 ALA HA H -8.738 18.022 0.622 1.00 . A A . 13 ALA HA 1 1 10 7739 1 1 13 ALA HB1 H -10.392 16.693 2.716 1.00 . A A . 13 ALA HB1 1 1 10 7740 1 1 13 ALA HB2 H -11.130 17.419 1.288 1.00 . A A . 13 ALA HB2 1 1 10 7741 1 1 13 ALA HB3 H -10.183 18.415 2.393 1.00 . A A . 13 ALA HB3 1 1 10 7742 1 1 13 ALA N N -9.296 16.140 0.132 1.00 . A A . 13 ALA N 1 1 10 7743 1 1 13 ALA O O -8.116 16.301 3.203 1.00 . A A . 13 ALA O 1 1 10 7744 1 1 14 CYS C C -4.245 17.205 1.744 1.00 . A A . 14 CYS C 1 1 10 7745 1 1 14 CYS CA C -5.459 16.508 2.339 1.00 . A A . 14 CYS CA 1 1 10 7746 1 1 14 CYS CB C -5.223 15.002 2.358 1.00 . A A . 14 CYS CB 1 1 10 7747 1 1 14 CYS H H -6.550 17.199 0.665 1.00 . A A . 14 CYS H 1 1 10 7748 1 1 14 CYS HA H -5.590 16.847 3.349 1.00 . A A . 14 CYS HA 1 1 10 7749 1 1 14 CYS HB2 H -5.202 14.636 1.346 1.00 . A A . 14 CYS HB2 1 1 10 7750 1 1 14 CYS HB3 H -4.272 14.819 2.825 1.00 . A A . 14 CYS HB3 1 1 10 7751 1 1 14 CYS N N -6.655 16.847 1.574 1.00 . A A . 14 CYS N 1 1 10 7752 1 1 14 CYS O O -4.357 17.931 0.757 1.00 . A A . 14 CYS O 1 1 10 7753 1 1 14 CYS SG S -6.478 14.047 3.272 1.00 . A A . 14 CYS SG 1 1 10 7754 1 1 15 ARG C C -0.624 16.848 2.321 1.00 . A A . 15 ARG C 1 1 10 7755 1 1 15 ARG CA C -1.858 17.627 1.879 1.00 . A A . 15 ARG CA 1 1 10 7756 1 1 15 ARG CB C -1.769 19.068 2.376 1.00 . A A . 15 ARG CB 1 1 10 7757 1 1 15 ARG CD C -0.139 20.955 2.695 1.00 . A A . 15 ARG CD 1 1 10 7758 1 1 15 ARG CG C -0.614 19.848 1.769 1.00 . A A . 15 ARG CG 1 1 10 7759 1 1 15 ARG CZ C 0.735 23.244 2.427 1.00 . A A . 15 ARG CZ 1 1 10 7760 1 1 15 ARG H H -3.061 16.423 3.149 1.00 . A A . 15 ARG H 1 1 10 7761 1 1 15 ARG HA H -1.893 17.634 0.799 1.00 . A A . 15 ARG HA 1 1 10 7762 1 1 15 ARG HB2 H -2.688 19.578 2.132 1.00 . A A . 15 ARG HB2 1 1 10 7763 1 1 15 ARG HB3 H -1.645 19.060 3.449 1.00 . A A . 15 ARG HB3 1 1 10 7764 1 1 15 ARG HD2 H -0.847 21.062 3.504 1.00 . A A . 15 ARG HD2 1 1 10 7765 1 1 15 ARG HD3 H 0.826 20.683 3.095 1.00 . A A . 15 ARG HD3 1 1 10 7766 1 1 15 ARG HE H -0.528 22.346 1.169 1.00 . A A . 15 ARG HE 1 1 10 7767 1 1 15 ARG HG2 H 0.206 19.172 1.583 1.00 . A A . 15 ARG HG2 1 1 10 7768 1 1 15 ARG HG3 H -0.940 20.285 0.837 1.00 . A A . 15 ARG HG3 1 1 10 7769 1 1 15 ARG HH11 H 1.397 22.285 4.080 1.00 . A A . 15 ARG HH11 1 1 10 7770 1 1 15 ARG HH12 H 2.000 23.894 3.864 1.00 . A A . 15 ARG HH12 1 1 10 7771 1 1 15 ARG HH21 H 0.262 24.462 0.883 1.00 . A A . 15 ARG HH21 1 1 10 7772 1 1 15 ARG HH22 H 1.355 25.131 2.049 1.00 . A A . 15 ARG HH22 1 1 10 7773 1 1 15 ARG N N -3.087 17.000 2.357 1.00 . A A . 15 ARG N 1 1 10 7774 1 1 15 ARG NE N -0.020 22.234 2.000 1.00 . A A . 15 ARG NE 1 1 10 7775 1 1 15 ARG NH1 N 1.434 23.132 3.549 1.00 . A A . 15 ARG NH1 1 1 10 7776 1 1 15 ARG NH2 N 0.788 24.371 1.729 1.00 . A A . 15 ARG NH2 1 1 10 7777 1 1 15 ARG O O -0.206 16.928 3.477 1.00 . A A . 15 ARG O 1 1 10 7778 1 1 16 ALA C C 0.888 14.245 2.710 1.00 . A A . 16 ALA C 1 1 10 7779 1 1 16 ALA CA C 1.159 15.324 1.668 1.00 . A A . 16 ALA CA 1 1 10 7780 1 1 16 ALA CB C 2.289 16.230 2.131 1.00 . A A . 16 ALA CB 1 1 10 7781 1 1 16 ALA H H -0.412 16.094 0.482 1.00 . A A . 16 ALA H 1 1 10 7782 1 1 16 ALA HA H 1.468 14.848 0.749 1.00 . A A . 16 ALA HA 1 1 10 7783 1 1 16 ALA HB1 H 2.921 15.695 2.824 1.00 . A A . 16 ALA HB1 1 1 10 7784 1 1 16 ALA HB2 H 1.876 17.101 2.619 1.00 . A A . 16 ALA HB2 1 1 10 7785 1 1 16 ALA HB3 H 2.875 16.541 1.279 1.00 . A A . 16 ALA HB3 1 1 10 7786 1 1 16 ALA N N -0.036 16.108 1.387 1.00 . A A . 16 ALA N 1 1 10 7787 1 1 16 ALA O O 0.339 14.520 3.777 1.00 . A A . 16 ALA O 1 1 10 7788 1 1 17 ALA C C 2.041 10.755 2.912 1.00 . A A . 17 ALA C 1 1 10 7789 1 1 17 ALA CA C 1.116 11.901 3.293 1.00 . A A . 17 ALA CA 1 1 10 7790 1 1 17 ALA CB C -0.334 11.447 3.319 1.00 . A A . 17 ALA CB 1 1 10 7791 1 1 17 ALA H H 1.733 12.869 1.548 1.00 . A A . 17 ALA H 1 1 10 7792 1 1 17 ALA HA H 1.383 12.243 4.267 1.00 . A A . 17 ALA HA 1 1 10 7793 1 1 17 ALA HB1 H -0.488 10.779 4.153 1.00 . A A . 17 ALA HB1 1 1 10 7794 1 1 17 ALA HB2 H -0.568 10.933 2.398 1.00 . A A . 17 ALA HB2 1 1 10 7795 1 1 17 ALA HB3 H -0.979 12.306 3.424 1.00 . A A . 17 ALA HB3 1 1 10 7796 1 1 17 ALA N N 1.292 13.020 2.395 1.00 . A A . 17 ALA N 1 1 10 7797 1 1 17 ALA O O 1.631 9.597 2.858 1.00 . A A . 17 ALA O 1 1 10 7798 1 1 18 ALA C C 4.629 9.186 3.431 1.00 . A A . 18 ALA C 1 1 10 7799 1 1 18 ALA CA C 4.299 10.112 2.271 1.00 . A A . 18 ALA CA 1 1 10 7800 1 1 18 ALA CB C 5.557 10.809 1.775 1.00 . A A . 18 ALA CB 1 1 10 7801 1 1 18 ALA H H 3.552 12.040 2.719 1.00 . A A . 18 ALA H 1 1 10 7802 1 1 18 ALA HA H 3.900 9.523 1.460 1.00 . A A . 18 ALA HA 1 1 10 7803 1 1 18 ALA HB1 H 6.149 10.117 1.196 1.00 . A A . 18 ALA HB1 1 1 10 7804 1 1 18 ALA HB2 H 6.134 11.156 2.621 1.00 . A A . 18 ALA HB2 1 1 10 7805 1 1 18 ALA HB3 H 5.283 11.652 1.158 1.00 . A A . 18 ALA HB3 1 1 10 7806 1 1 18 ALA N N 3.295 11.097 2.652 1.00 . A A . 18 ALA N 1 1 10 7807 1 1 18 ALA O O 3.999 9.245 4.487 1.00 . A A . 18 ALA O 1 1 10 7808 1 1 19 ALA C C 4.979 6.318 4.493 1.00 . A A . 19 ALA C 1 1 10 7809 1 1 19 ALA CA C 6.045 7.383 4.248 1.00 . A A . 19 ALA CA 1 1 10 7810 1 1 19 ALA CB C 6.376 8.112 5.544 1.00 . A A . 19 ALA CB 1 1 10 7811 1 1 19 ALA H H 6.080 8.333 2.359 1.00 . A A . 19 ALA H 1 1 10 7812 1 1 19 ALA HA H 6.945 6.900 3.898 1.00 . A A . 19 ALA HA 1 1 10 7813 1 1 19 ALA HB1 H 6.938 9.006 5.321 1.00 . A A . 19 ALA HB1 1 1 10 7814 1 1 19 ALA HB2 H 6.962 7.466 6.181 1.00 . A A . 19 ALA HB2 1 1 10 7815 1 1 19 ALA HB3 H 5.460 8.381 6.051 1.00 . A A . 19 ALA HB3 1 1 10 7816 1 1 19 ALA N N 5.621 8.330 3.225 1.00 . A A . 19 ALA N 1 1 10 7817 1 1 19 ALA O O 5.009 5.625 5.510 1.00 . A A . 19 ALA O 1 1 10 7818 1 1 20 ARG C C 2.634 4.586 2.329 1.00 . A A . 20 ARG C 1 1 10 7819 1 1 20 ARG CA C 2.978 5.197 3.680 1.00 . A A . 20 ARG CA 1 1 10 7820 1 1 20 ARG CB C 1.723 5.811 4.294 1.00 . A A . 20 ARG CB 1 1 10 7821 1 1 20 ARG CD C 1.086 7.319 6.203 1.00 . A A . 20 ARG CD 1 1 10 7822 1 1 20 ARG CG C 1.833 6.060 5.789 1.00 . A A . 20 ARG CG 1 1 10 7823 1 1 20 ARG CZ C -0.980 7.844 7.443 1.00 . A A . 20 ARG CZ 1 1 10 7824 1 1 20 ARG H H 4.068 6.762 2.765 1.00 . A A . 20 ARG H 1 1 10 7825 1 1 20 ARG HA H 3.336 4.413 4.331 1.00 . A A . 20 ARG HA 1 1 10 7826 1 1 20 ARG HB2 H 1.521 6.750 3.805 1.00 . A A . 20 ARG HB2 1 1 10 7827 1 1 20 ARG HB3 H 0.890 5.138 4.125 1.00 . A A . 20 ARG HB3 1 1 10 7828 1 1 20 ARG HD2 H 1.636 7.804 6.996 1.00 . A A . 20 ARG HD2 1 1 10 7829 1 1 20 ARG HD3 H 1.023 7.980 5.353 1.00 . A A . 20 ARG HD3 1 1 10 7830 1 1 20 ARG HE H -0.659 6.167 6.411 1.00 . A A . 20 ARG HE 1 1 10 7831 1 1 20 ARG HG2 H 1.413 5.216 6.316 1.00 . A A . 20 ARG HG2 1 1 10 7832 1 1 20 ARG HG3 H 2.874 6.167 6.051 1.00 . A A . 20 ARG HG3 1 1 10 7833 1 1 20 ARG HH11 H 0.435 9.289 7.528 1.00 . A A . 20 ARG HH11 1 1 10 7834 1 1 20 ARG HH12 H -1.026 9.629 8.394 1.00 . A A . 20 ARG HH12 1 1 10 7835 1 1 20 ARG HH21 H -2.577 6.611 7.552 1.00 . A A . 20 ARG HH21 1 1 10 7836 1 1 20 ARG HH22 H -2.736 8.108 8.410 1.00 . A A . 20 ARG HH22 1 1 10 7837 1 1 20 ARG N N 4.041 6.187 3.556 1.00 . A A . 20 ARG N 1 1 10 7838 1 1 20 ARG NE N -0.265 7.023 6.676 1.00 . A A . 20 ARG NE 1 1 10 7839 1 1 20 ARG NH1 N -0.483 9.016 7.819 1.00 . A A . 20 ARG NH1 1 1 10 7840 1 1 20 ARG NH2 N -2.198 7.493 7.834 1.00 . A A . 20 ARG NH2 1 1 10 7841 1 1 20 ARG O O 3.053 5.074 1.276 1.00 . A A . 20 ARG O 1 1 10 7842 1 1 21 TYR C C 0.005 2.372 1.244 1.00 . A A . 21 TYR C 1 1 10 7843 1 1 21 TYR CA C 1.459 2.819 1.159 1.00 . A A . 21 TYR CA 1 1 10 7844 1 1 21 TYR CB C 2.354 1.602 0.924 1.00 . A A . 21 TYR CB 1 1 10 7845 1 1 21 TYR CD1 C 4.704 2.348 1.478 1.00 . A A . 21 TYR CD1 1 1 10 7846 1 1 21 TYR CD2 C 4.189 1.840 -0.791 1.00 . A A . 21 TYR CD2 1 1 10 7847 1 1 21 TYR CE1 C 6.005 2.644 1.120 1.00 . A A . 21 TYR CE1 1 1 10 7848 1 1 21 TYR CE2 C 5.488 2.130 -1.155 1.00 . A A . 21 TYR CE2 1 1 10 7849 1 1 21 TYR CG C 3.775 1.943 0.529 1.00 . A A . 21 TYR CG 1 1 10 7850 1 1 21 TYR CZ C 6.391 2.531 -0.197 1.00 . A A . 21 TYR CZ 1 1 10 7851 1 1 21 TYR H H 1.566 3.176 3.241 1.00 . A A . 21 TYR H 1 1 10 7852 1 1 21 TYR HA H 1.569 3.501 0.334 1.00 . A A . 21 TYR HA 1 1 10 7853 1 1 21 TYR HB2 H 2.398 1.018 1.831 1.00 . A A . 21 TYR HB2 1 1 10 7854 1 1 21 TYR HB3 H 1.926 0.999 0.136 1.00 . A A . 21 TYR HB3 1 1 10 7855 1 1 21 TYR HD1 H 4.397 2.435 2.510 1.00 . A A . 21 TYR HD1 1 1 10 7856 1 1 21 TYR HD2 H 3.479 1.526 -1.541 1.00 . A A . 21 TYR HD2 1 1 10 7857 1 1 21 TYR HE1 H 6.713 2.959 1.873 1.00 . A A . 21 TYR HE1 1 1 10 7858 1 1 21 TYR HE2 H 5.791 2.042 -2.188 1.00 . A A . 21 TYR HE2 1 1 10 7859 1 1 21 TYR HH H 7.692 3.225 -1.432 1.00 . A A . 21 TYR HH 1 1 10 7860 1 1 21 TYR N N 1.867 3.511 2.371 1.00 . A A . 21 TYR N 1 1 10 7861 1 1 21 TYR O O -0.596 2.372 2.319 1.00 . A A . 21 TYR O 1 1 10 7862 1 1 21 TYR OH O 7.687 2.823 -0.559 1.00 . A A . 21 TYR OH 1 1 10 7863 1 1 22 PHE C C -2.070 0.455 -1.052 1.00 . A A . 22 PHE C 1 1 10 7864 1 1 22 PHE CA C -1.921 1.490 0.041 1.00 . A A . 22 PHE CA 1 1 10 7865 1 1 22 PHE CB C -2.903 2.623 -0.208 1.00 . A A . 22 PHE CB 1 1 10 7866 1 1 22 PHE CD1 C -2.747 2.991 -2.680 1.00 . A A . 22 PHE CD1 1 1 10 7867 1 1 22 PHE CD2 C -2.060 4.753 -1.238 1.00 . A A . 22 PHE CD2 1 1 10 7868 1 1 22 PHE CE1 C -2.444 3.769 -3.780 1.00 . A A . 22 PHE CE1 1 1 10 7869 1 1 22 PHE CE2 C -1.755 5.534 -2.332 1.00 . A A . 22 PHE CE2 1 1 10 7870 1 1 22 PHE CG C -2.559 3.474 -1.399 1.00 . A A . 22 PHE CG 1 1 10 7871 1 1 22 PHE CZ C -1.948 5.043 -3.605 1.00 . A A . 22 PHE CZ 1 1 10 7872 1 1 22 PHE H H -0.007 1.983 -0.714 1.00 . A A . 22 PHE H 1 1 10 7873 1 1 22 PHE HA H -2.157 1.025 0.989 1.00 . A A . 22 PHE HA 1 1 10 7874 1 1 22 PHE HB2 H -3.881 2.202 -0.378 1.00 . A A . 22 PHE HB2 1 1 10 7875 1 1 22 PHE HB3 H -2.938 3.247 0.661 1.00 . A A . 22 PHE HB3 1 1 10 7876 1 1 22 PHE HD1 H -3.136 1.994 -2.818 1.00 . A A . 22 PHE HD1 1 1 10 7877 1 1 22 PHE HD2 H -1.907 5.139 -0.242 1.00 . A A . 22 PHE HD2 1 1 10 7878 1 1 22 PHE HE1 H -2.595 3.379 -4.775 1.00 . A A . 22 PHE HE1 1 1 10 7879 1 1 22 PHE HE2 H -1.367 6.530 -2.193 1.00 . A A . 22 PHE HE2 1 1 10 7880 1 1 22 PHE HZ H -1.710 5.653 -4.464 1.00 . A A . 22 PHE HZ 1 1 10 7881 1 1 22 PHE N N -0.546 1.971 0.104 1.00 . A A . 22 PHE N 1 1 10 7882 1 1 22 PHE O O -1.414 0.532 -2.086 1.00 . A A . 22 PHE O 1 1 10 7883 1 1 23 TYR C C -4.185 -1.120 -2.852 1.00 . A A . 23 TYR C 1 1 10 7884 1 1 23 TYR CA C -3.180 -1.567 -1.797 1.00 . A A . 23 TYR CA 1 1 10 7885 1 1 23 TYR CB C -3.673 -2.842 -1.114 1.00 . A A . 23 TYR CB 1 1 10 7886 1 1 23 TYR CD1 C -3.106 -4.750 -2.667 1.00 . A A . 23 TYR CD1 1 1 10 7887 1 1 23 TYR CD2 C -5.394 -4.120 -2.440 1.00 . A A . 23 TYR CD2 1 1 10 7888 1 1 23 TYR CE1 C -3.463 -5.738 -3.565 1.00 . A A . 23 TYR CE1 1 1 10 7889 1 1 23 TYR CE2 C -5.760 -5.107 -3.336 1.00 . A A . 23 TYR CE2 1 1 10 7890 1 1 23 TYR CG C -4.066 -3.927 -2.091 1.00 . A A . 23 TYR CG 1 1 10 7891 1 1 23 TYR CZ C -4.790 -5.914 -3.895 1.00 . A A . 23 TYR CZ 1 1 10 7892 1 1 23 TYR H H -3.443 -0.497 0.024 1.00 . A A . 23 TYR H 1 1 10 7893 1 1 23 TYR HA H -2.233 -1.787 -2.286 1.00 . A A . 23 TYR HA 1 1 10 7894 1 1 23 TYR HB2 H -2.883 -3.236 -0.490 1.00 . A A . 23 TYR HB2 1 1 10 7895 1 1 23 TYR HB3 H -4.536 -2.610 -0.505 1.00 . A A . 23 TYR HB3 1 1 10 7896 1 1 23 TYR HD1 H -2.068 -4.610 -2.405 1.00 . A A . 23 TYR HD1 1 1 10 7897 1 1 23 TYR HD2 H -6.148 -3.487 -2.001 1.00 . A A . 23 TYR HD2 1 1 10 7898 1 1 23 TYR HE1 H -2.704 -6.369 -4.002 1.00 . A A . 23 TYR HE1 1 1 10 7899 1 1 23 TYR HE2 H -6.799 -5.242 -3.595 1.00 . A A . 23 TYR HE2 1 1 10 7900 1 1 23 TYR HH H -4.716 -7.719 -4.551 1.00 . A A . 23 TYR HH 1 1 10 7901 1 1 23 TYR N N -2.943 -0.507 -0.820 1.00 . A A . 23 TYR N 1 1 10 7902 1 1 23 TYR O O -5.249 -0.592 -2.530 1.00 . A A . 23 TYR O 1 1 10 7903 1 1 23 TYR OH O -5.150 -6.897 -4.789 1.00 . A A . 23 TYR OH 1 1 10 7904 1 1 24 ASN C C -5.426 -2.210 -5.770 1.00 . A A . 24 ASN C 1 1 10 7905 1 1 24 ASN CA C -4.701 -0.982 -5.227 1.00 . A A . 24 ASN CA 1 1 10 7906 1 1 24 ASN CB C -3.858 -0.322 -6.326 1.00 . A A . 24 ASN CB 1 1 10 7907 1 1 24 ASN CG C -4.669 0.065 -7.542 1.00 . A A . 24 ASN CG 1 1 10 7908 1 1 24 ASN H H -2.983 -1.786 -4.289 1.00 . A A . 24 ASN H 1 1 10 7909 1 1 24 ASN HA H -5.432 -0.270 -4.870 1.00 . A A . 24 ASN HA 1 1 10 7910 1 1 24 ASN HB2 H -3.399 0.576 -5.929 1.00 . A A . 24 ASN HB2 1 1 10 7911 1 1 24 ASN HB3 H -3.085 -1.006 -6.641 1.00 . A A . 24 ASN HB3 1 1 10 7912 1 1 24 ASN HD21 H -3.473 1.622 -7.857 1.00 . A A . 24 ASN HD21 1 1 10 7913 1 1 24 ASN HD22 H -4.766 1.414 -8.991 1.00 . A A . 24 ASN HD22 1 1 10 7914 1 1 24 ASN N N -3.840 -1.350 -4.109 1.00 . A A . 24 ASN N 1 1 10 7915 1 1 24 ASN ND2 N -4.263 1.143 -8.195 1.00 . A A . 24 ASN ND2 1 1 10 7916 1 1 24 ASN O O -4.869 -2.970 -6.556 1.00 . A A . 24 ASN O 1 1 10 7917 1 1 24 ASN OD1 O -5.640 -0.600 -7.895 1.00 . A A . 24 ASN OD1 1 1 10 7918 1 1 25 ALA C C -7.521 -3.630 -7.311 1.00 . A A . 25 ALA C 1 1 10 7919 1 1 25 ALA CA C -7.472 -3.540 -5.787 1.00 . A A . 25 ALA CA 1 1 10 7920 1 1 25 ALA CB C -8.883 -3.450 -5.217 1.00 . A A . 25 ALA CB 1 1 10 7921 1 1 25 ALA H H -7.068 -1.755 -4.718 1.00 . A A . 25 ALA H 1 1 10 7922 1 1 25 ALA HA H -7.009 -4.437 -5.399 1.00 . A A . 25 ALA HA 1 1 10 7923 1 1 25 ALA HB1 H -8.931 -3.984 -4.277 1.00 . A A . 25 ALA HB1 1 1 10 7924 1 1 25 ALA HB2 H -9.582 -3.889 -5.914 1.00 . A A . 25 ALA HB2 1 1 10 7925 1 1 25 ALA HB3 H -9.141 -2.414 -5.055 1.00 . A A . 25 ALA HB3 1 1 10 7926 1 1 25 ALA N N -6.675 -2.397 -5.346 1.00 . A A . 25 ALA N 1 1 10 7927 1 1 25 ALA O O -7.572 -4.722 -7.877 1.00 . A A . 25 ALA O 1 1 10 7928 1 1 26 LYS C C -6.157 -2.612 -10.049 1.00 . A A . 26 LYS C 1 1 10 7929 1 1 26 LYS CA C -7.544 -2.418 -9.427 1.00 . A A . 26 LYS CA 1 1 10 7930 1 1 26 LYS CB C -8.133 -1.080 -9.884 1.00 . A A . 26 LYS CB 1 1 10 7931 1 1 26 LYS CD C -10.095 0.052 -10.973 1.00 . A A . 26 LYS CD 1 1 10 7932 1 1 26 LYS CE C -11.473 -0.191 -11.571 1.00 . A A . 26 LYS CE 1 1 10 7933 1 1 26 LYS CG C -9.632 -1.128 -10.133 1.00 . A A . 26 LYS CG 1 1 10 7934 1 1 26 LYS H H -7.457 -1.639 -7.459 1.00 . A A . 26 LYS H 1 1 10 7935 1 1 26 LYS HA H -8.191 -3.214 -9.769 1.00 . A A . 26 LYS HA 1 1 10 7936 1 1 26 LYS HB2 H -7.940 -0.336 -9.125 1.00 . A A . 26 LYS HB2 1 1 10 7937 1 1 26 LYS HB3 H -7.648 -0.780 -10.800 1.00 . A A . 26 LYS HB3 1 1 10 7938 1 1 26 LYS HD2 H -10.137 0.932 -10.348 1.00 . A A . 26 LYS HD2 1 1 10 7939 1 1 26 LYS HD3 H -9.388 0.211 -11.773 1.00 . A A . 26 LYS HD3 1 1 10 7940 1 1 26 LYS HE2 H -11.769 -1.208 -11.359 1.00 . A A . 26 LYS HE2 1 1 10 7941 1 1 26 LYS HE3 H -12.175 0.491 -11.115 1.00 . A A . 26 LYS HE3 1 1 10 7942 1 1 26 LYS HG2 H -9.872 -2.043 -10.654 1.00 . A A . 26 LYS HG2 1 1 10 7943 1 1 26 LYS HG3 H -10.146 -1.106 -9.184 1.00 . A A . 26 LYS HG3 1 1 10 7944 1 1 26 LYS HZ1 H -10.566 -0.257 -13.452 1.00 . A A . 26 LYS HZ1 1 1 10 7945 1 1 26 LYS HZ2 H -11.663 1.016 -13.265 1.00 . A A . 26 LYS HZ2 1 1 10 7946 1 1 26 LYS HZ3 H -12.229 -0.563 -13.482 1.00 . A A . 26 LYS HZ3 1 1 10 7947 1 1 26 LYS N N -7.501 -2.475 -7.967 1.00 . A A . 26 LYS N 1 1 10 7948 1 1 26 LYS NZ N -11.483 0.016 -13.046 1.00 . A A . 26 LYS NZ 1 1 10 7949 1 1 26 LYS O O -6.004 -2.522 -11.266 1.00 . A A . 26 LYS O 1 1 10 7950 1 1 27 ALA C C -3.062 -4.225 -9.034 1.00 . A A . 27 ALA C 1 1 10 7951 1 1 27 ALA CA C -3.783 -3.058 -9.720 1.00 . A A . 27 ALA CA 1 1 10 7952 1 1 27 ALA CB C -2.982 -1.777 -9.557 1.00 . A A . 27 ALA CB 1 1 10 7953 1 1 27 ALA H H -5.315 -2.914 -8.253 1.00 . A A . 27 ALA H 1 1 10 7954 1 1 27 ALA HA H -3.852 -3.271 -10.777 1.00 . A A . 27 ALA HA 1 1 10 7955 1 1 27 ALA HB1 H -1.969 -1.940 -9.895 1.00 . A A . 27 ALA HB1 1 1 10 7956 1 1 27 ALA HB2 H -2.970 -1.490 -8.517 1.00 . A A . 27 ALA HB2 1 1 10 7957 1 1 27 ALA HB3 H -3.435 -0.991 -10.142 1.00 . A A . 27 ALA HB3 1 1 10 7958 1 1 27 ALA N N -5.145 -2.868 -9.217 1.00 . A A . 27 ALA N 1 1 10 7959 1 1 27 ALA O O -1.946 -4.577 -9.415 1.00 . A A . 27 ALA O 1 1 10 7960 1 1 28 GLY C C -1.879 -5.629 -6.518 1.00 . A A . 28 GLY C 1 1 10 7961 1 1 28 GLY CA C -3.114 -5.958 -7.344 1.00 . A A . 28 GLY CA 1 1 10 7962 1 1 28 GLY H H -4.587 -4.532 -7.782 1.00 . A A . 28 GLY H 1 1 10 7963 1 1 28 GLY HA2 H -3.858 -6.388 -6.690 1.00 . A A . 28 GLY HA2 1 1 10 7964 1 1 28 GLY HA3 H -2.850 -6.686 -8.081 1.00 . A A . 28 GLY HA3 1 1 10 7965 1 1 28 GLY N N -3.701 -4.832 -8.036 1.00 . A A . 28 GLY N 1 1 10 7966 1 1 28 GLY O O -1.370 -6.489 -5.798 1.00 . A A . 28 GLY O 1 1 10 7967 1 1 29 LEU C C -0.455 -2.725 -5.064 1.00 . A A . 29 LEU C 1 1 10 7968 1 1 29 LEU CA C -0.198 -4.000 -5.862 1.00 . A A . 29 LEU CA 1 1 10 7969 1 1 29 LEU CB C 0.984 -3.796 -6.813 1.00 . A A . 29 LEU CB 1 1 10 7970 1 1 29 LEU CD1 C 1.216 -5.902 -8.157 1.00 . A A . 29 LEU CD1 1 1 10 7971 1 1 29 LEU CD2 C 3.258 -4.655 -7.430 1.00 . A A . 29 LEU CD2 1 1 10 7972 1 1 29 LEU CG C 1.833 -5.044 -7.063 1.00 . A A . 29 LEU CG 1 1 10 7973 1 1 29 LEU H H -1.822 -3.758 -7.202 1.00 . A A . 29 LEU H 1 1 10 7974 1 1 29 LEU HA H 0.041 -4.797 -5.175 1.00 . A A . 29 LEU HA 1 1 10 7975 1 1 29 LEU HB2 H 0.600 -3.450 -7.762 1.00 . A A . 29 LEU HB2 1 1 10 7976 1 1 29 LEU HB3 H 1.624 -3.031 -6.401 1.00 . A A . 29 LEU HB3 1 1 10 7977 1 1 29 LEU HD11 H 1.458 -5.483 -9.123 1.00 . A A . 29 LEU HD11 1 1 10 7978 1 1 29 LEU HD12 H 0.143 -5.926 -8.034 1.00 . A A . 29 LEU HD12 1 1 10 7979 1 1 29 LEU HD13 H 1.608 -6.906 -8.092 1.00 . A A . 29 LEU HD13 1 1 10 7980 1 1 29 LEU HD21 H 3.291 -4.350 -8.467 1.00 . A A . 29 LEU HD21 1 1 10 7981 1 1 29 LEU HD22 H 3.911 -5.501 -7.282 1.00 . A A . 29 LEU HD22 1 1 10 7982 1 1 29 LEU HD23 H 3.580 -3.836 -6.804 1.00 . A A . 29 LEU HD23 1 1 10 7983 1 1 29 LEU HG H 1.870 -5.634 -6.159 1.00 . A A . 29 LEU HG 1 1 10 7984 1 1 29 LEU N N -1.386 -4.402 -6.615 1.00 . A A . 29 LEU N 1 1 10 7985 1 1 29 LEU O O -1.493 -2.084 -5.222 1.00 . A A . 29 LEU O 1 1 10 7986 1 1 30 CYS C C 1.060 0.028 -4.026 1.00 . A A . 30 CYS C 1 1 10 7987 1 1 30 CYS CA C 0.353 -1.161 -3.388 1.00 . A A . 30 CYS CA 1 1 10 7988 1 1 30 CYS CB C 0.903 -1.375 -1.975 1.00 . A A . 30 CYS CB 1 1 10 7989 1 1 30 CYS H H 1.302 -2.909 -4.119 1.00 . A A . 30 CYS H 1 1 10 7990 1 1 30 CYS HA H -0.698 -0.939 -3.324 1.00 . A A . 30 CYS HA 1 1 10 7991 1 1 30 CYS HB2 H 1.942 -1.077 -1.955 1.00 . A A . 30 CYS HB2 1 1 10 7992 1 1 30 CYS HB3 H 0.347 -0.752 -1.292 1.00 . A A . 30 CYS HB3 1 1 10 7993 1 1 30 CYS N N 0.496 -2.361 -4.206 1.00 . A A . 30 CYS N 1 1 10 7994 1 1 30 CYS O O 1.825 -0.123 -4.978 1.00 . A A . 30 CYS O 1 1 10 7995 1 1 30 CYS SG S 0.802 -3.091 -1.364 1.00 . A A . 30 CYS SG 1 1 10 7996 1 1 31 GLN C C 1.616 3.465 -2.891 1.00 . A A . 31 GLN C 1 1 10 7997 1 1 31 GLN CA C 1.390 2.439 -4.001 1.00 . A A . 31 GLN CA 1 1 10 7998 1 1 31 GLN CB C 0.501 3.043 -5.090 1.00 . A A . 31 GLN CB 1 1 10 7999 1 1 31 GLN CD C 0.369 4.360 -7.239 1.00 . A A . 31 GLN CD 1 1 10 8000 1 1 31 GLN CG C 1.277 3.721 -6.205 1.00 . A A . 31 GLN CG 1 1 10 8001 1 1 31 GLN H H 0.175 1.261 -2.730 1.00 . A A . 31 GLN H 1 1 10 8002 1 1 31 GLN HA H 2.341 2.181 -4.435 1.00 . A A . 31 GLN HA 1 1 10 8003 1 1 31 GLN HB2 H -0.100 2.258 -5.525 1.00 . A A . 31 GLN HB2 1 1 10 8004 1 1 31 GLN HB3 H -0.149 3.775 -4.639 1.00 . A A . 31 GLN HB3 1 1 10 8005 1 1 31 GLN HE21 H -0.034 5.859 -5.996 1.00 . A A . 31 GLN HE21 1 1 10 8006 1 1 31 GLN HE22 H -0.810 5.932 -7.538 1.00 . A A . 31 GLN HE22 1 1 10 8007 1 1 31 GLN HG2 H 1.904 4.489 -5.775 1.00 . A A . 31 GLN HG2 1 1 10 8008 1 1 31 GLN HG3 H 1.896 2.985 -6.697 1.00 . A A . 31 GLN HG3 1 1 10 8009 1 1 31 GLN N N 0.790 1.213 -3.489 1.00 . A A . 31 GLN N 1 1 10 8010 1 1 31 GLN NE2 N -0.218 5.499 -6.889 1.00 . A A . 31 GLN NE2 1 1 10 8011 1 1 31 GLN O O 0.902 3.483 -1.887 1.00 . A A . 31 GLN O 1 1 10 8012 1 1 31 GLN OE1 O 0.195 3.836 -8.341 1.00 . A A . 31 GLN OE1 1 1 10 8013 1 1 32 THR C C 1.957 6.534 -2.214 1.00 . A A . 32 THR C 1 1 10 8014 1 1 32 THR CA C 2.939 5.372 -2.139 1.00 . A A . 32 THR CA 1 1 10 8015 1 1 32 THR CB C 4.346 5.886 -2.422 1.00 . A A . 32 THR CB 1 1 10 8016 1 1 32 THR CG2 C 5.270 5.740 -1.249 1.00 . A A . 32 THR CG2 1 1 10 8017 1 1 32 THR H H 3.140 4.260 -3.908 1.00 . A A . 32 THR H 1 1 10 8018 1 1 32 THR HA H 2.902 4.957 -1.149 1.00 . A A . 32 THR HA 1 1 10 8019 1 1 32 THR HB H 4.296 6.933 -2.676 1.00 . A A . 32 THR HB 1 1 10 8020 1 1 32 THR HG1 H 5.066 4.274 -3.272 1.00 . A A . 32 THR HG1 1 1 10 8021 1 1 32 THR HG21 H 6.192 6.261 -1.452 1.00 . A A . 32 THR HG21 1 1 10 8022 1 1 32 THR HG22 H 5.469 4.694 -1.087 1.00 . A A . 32 THR HG22 1 1 10 8023 1 1 32 THR HG23 H 4.802 6.163 -0.373 1.00 . A A . 32 THR HG23 1 1 10 8024 1 1 32 THR N N 2.610 4.325 -3.090 1.00 . A A . 32 THR N 1 1 10 8025 1 1 32 THR O O 1.650 7.032 -3.297 1.00 . A A . 32 THR O 1 1 10 8026 1 1 32 THR OG1 O 4.929 5.193 -3.513 1.00 . A A . 32 THR OG1 1 1 10 8027 1 1 33 PHE C C 1.270 9.359 -1.609 1.00 . A A . 33 PHE C 1 1 10 8028 1 1 33 PHE CA C 0.594 8.136 -0.998 1.00 . A A . 33 PHE CA 1 1 10 8029 1 1 33 PHE CB C 0.179 8.431 0.445 1.00 . A A . 33 PHE CB 1 1 10 8030 1 1 33 PHE CD1 C -2.172 7.608 0.780 1.00 . A A . 33 PHE CD1 1 1 10 8031 1 1 33 PHE CD2 C -0.385 6.362 1.748 1.00 . A A . 33 PHE CD2 1 1 10 8032 1 1 33 PHE CE1 C -3.083 6.704 1.292 1.00 . A A . 33 PHE CE1 1 1 10 8033 1 1 33 PHE CE2 C -1.290 5.456 2.263 1.00 . A A . 33 PHE CE2 1 1 10 8034 1 1 33 PHE CG C -0.812 7.448 1.002 1.00 . A A . 33 PHE CG 1 1 10 8035 1 1 33 PHE CZ C -2.642 5.627 2.035 1.00 . A A . 33 PHE CZ 1 1 10 8036 1 1 33 PHE H H 1.813 6.589 -0.216 1.00 . A A . 33 PHE H 1 1 10 8037 1 1 33 PHE HA H -0.285 7.888 -1.579 1.00 . A A . 33 PHE HA 1 1 10 8038 1 1 33 PHE HB2 H 1.055 8.410 1.075 1.00 . A A . 33 PHE HB2 1 1 10 8039 1 1 33 PHE HB3 H -0.266 9.413 0.490 1.00 . A A . 33 PHE HB3 1 1 10 8040 1 1 33 PHE HD1 H -2.521 8.448 0.197 1.00 . A A . 33 PHE HD1 1 1 10 8041 1 1 33 PHE HD2 H 0.672 6.227 1.927 1.00 . A A . 33 PHE HD2 1 1 10 8042 1 1 33 PHE HE1 H -4.138 6.841 1.112 1.00 . A A . 33 PHE HE1 1 1 10 8043 1 1 33 PHE HE2 H -0.942 4.615 2.843 1.00 . A A . 33 PHE HE2 1 1 10 8044 1 1 33 PHE HZ H -3.351 4.920 2.437 1.00 . A A . 33 PHE HZ 1 1 10 8045 1 1 33 PHE N N 1.506 7.000 -1.051 1.00 . A A . 33 PHE N 1 1 10 8046 1 1 33 PHE O O 2.479 9.349 -1.842 1.00 . A A . 33 PHE O 1 1 10 8047 1 1 34 ALA C C 0.070 12.767 -2.471 1.00 . A A . 34 ALA C 1 1 10 8048 1 1 34 ALA CA C 1.063 11.598 -2.491 1.00 . A A . 34 ALA CA 1 1 10 8049 1 1 34 ALA CB C 1.528 11.277 -3.905 1.00 . A A . 34 ALA CB 1 1 10 8050 1 1 34 ALA H H -0.459 10.358 -1.700 1.00 . A A . 34 ALA H 1 1 10 8051 1 1 34 ALA HA H 1.931 11.875 -1.915 1.00 . A A . 34 ALA HA 1 1 10 8052 1 1 34 ALA HB1 H 2.181 12.060 -4.258 1.00 . A A . 34 ALA HB1 1 1 10 8053 1 1 34 ALA HB2 H 0.672 11.198 -4.558 1.00 . A A . 34 ALA HB2 1 1 10 8054 1 1 34 ALA HB3 H 2.066 10.335 -3.899 1.00 . A A . 34 ALA HB3 1 1 10 8055 1 1 34 ALA N N 0.499 10.400 -1.890 1.00 . A A . 34 ALA N 1 1 10 8056 1 1 34 ALA O O -0.788 12.845 -1.592 1.00 . A A . 34 ALA O 1 1 10 8057 1 1 35 TYR C C -2.116 14.567 -3.190 1.00 . A A . 35 TYR C 1 1 10 8058 1 1 35 TYR CA C -0.654 14.867 -3.528 1.00 . A A . 35 TYR CA 1 1 10 8059 1 1 35 TYR CB C -0.571 15.475 -4.930 1.00 . A A . 35 TYR CB 1 1 10 8060 1 1 35 TYR CD1 C -2.602 16.969 -4.989 1.00 . A A . 35 TYR CD1 1 1 10 8061 1 1 35 TYR CD2 C -0.452 17.987 -5.137 1.00 . A A . 35 TYR CD2 1 1 10 8062 1 1 35 TYR CE1 C -3.201 18.213 -5.064 1.00 . A A . 35 TYR CE1 1 1 10 8063 1 1 35 TYR CE2 C -1.044 19.235 -5.211 1.00 . A A . 35 TYR CE2 1 1 10 8064 1 1 35 TYR CG C -1.221 16.835 -5.026 1.00 . A A . 35 TYR CG 1 1 10 8065 1 1 35 TYR CZ C -2.418 19.342 -5.174 1.00 . A A . 35 TYR CZ 1 1 10 8066 1 1 35 TYR H H 0.917 13.568 -4.098 1.00 . A A . 35 TYR H 1 1 10 8067 1 1 35 TYR HA H -0.278 15.594 -2.817 1.00 . A A . 35 TYR HA 1 1 10 8068 1 1 35 TYR HB2 H 0.466 15.580 -5.211 1.00 . A A . 35 TYR HB2 1 1 10 8069 1 1 35 TYR HB3 H -1.065 14.819 -5.630 1.00 . A A . 35 TYR HB3 1 1 10 8070 1 1 35 TYR HD1 H -3.214 16.083 -4.902 1.00 . A A . 35 TYR HD1 1 1 10 8071 1 1 35 TYR HD2 H 0.624 17.900 -5.167 1.00 . A A . 35 TYR HD2 1 1 10 8072 1 1 35 TYR HE1 H -4.278 18.296 -5.036 1.00 . A A . 35 TYR HE1 1 1 10 8073 1 1 35 TYR HE2 H -0.429 20.119 -5.296 1.00 . A A . 35 TYR HE2 1 1 10 8074 1 1 35 TYR HH H -2.531 21.130 -5.871 1.00 . A A . 35 TYR HH 1 1 10 8075 1 1 35 TYR N N 0.206 13.682 -3.437 1.00 . A A . 35 TYR N 1 1 10 8076 1 1 35 TYR O O -2.767 13.753 -3.845 1.00 . A A . 35 TYR O 1 1 10 8077 1 1 35 TYR OH O -3.010 20.581 -5.246 1.00 . A A . 35 TYR OH 1 1 10 8078 1 1 36 GLY C C -4.449 13.717 -1.442 1.00 . A A . 36 GLY C 1 1 10 8079 1 1 36 GLY CA C -3.998 15.135 -1.766 1.00 . A A . 36 GLY CA 1 1 10 8080 1 1 36 GLY H H -2.073 15.920 -1.733 1.00 . A A . 36 GLY H 1 1 10 8081 1 1 36 GLY HA2 H -4.148 15.745 -0.893 1.00 . A A . 36 GLY HA2 1 1 10 8082 1 1 36 GLY HA3 H -4.606 15.524 -2.552 1.00 . A A . 36 GLY HA3 1 1 10 8083 1 1 36 GLY N N -2.627 15.270 -2.180 1.00 . A A . 36 GLY N 1 1 10 8084 1 1 36 GLY O O -5.588 13.521 -1.022 1.00 . A A . 36 GLY O 1 1 10 8085 1 1 37 ALA C C -4.148 11.149 0.168 1.00 . A A . 37 ALA C 1 1 10 8086 1 1 37 ALA CA C -3.940 11.349 -1.327 1.00 . A A . 37 ALA CA 1 1 10 8087 1 1 37 ALA CB C -2.884 10.395 -1.859 1.00 . A A . 37 ALA CB 1 1 10 8088 1 1 37 ALA H H -2.680 12.927 -1.949 1.00 . A A . 37 ALA H 1 1 10 8089 1 1 37 ALA HA H -4.870 11.139 -1.834 1.00 . A A . 37 ALA HA 1 1 10 8090 1 1 37 ALA HB1 H -2.244 10.917 -2.555 1.00 . A A . 37 ALA HB1 1 1 10 8091 1 1 37 ALA HB2 H -3.365 9.569 -2.362 1.00 . A A . 37 ALA HB2 1 1 10 8092 1 1 37 ALA HB3 H -2.291 10.020 -1.038 1.00 . A A . 37 ALA HB3 1 1 10 8093 1 1 37 ALA N N -3.578 12.730 -1.621 1.00 . A A . 37 ALA N 1 1 10 8094 1 1 37 ALA O O -3.189 11.131 0.942 1.00 . A A . 37 ALA O 1 1 10 8095 1 1 38 CYS C C -5.596 9.357 2.391 1.00 . A A . 38 CYS C 1 1 10 8096 1 1 38 CYS CA C -5.747 10.815 1.972 1.00 . A A . 38 CYS CA 1 1 10 8097 1 1 38 CYS CB C -7.177 11.284 2.237 1.00 . A A . 38 CYS CB 1 1 10 8098 1 1 38 CYS H H -6.125 11.031 -0.098 1.00 . A A . 38 CYS H 1 1 10 8099 1 1 38 CYS HA H -5.070 11.416 2.560 1.00 . A A . 38 CYS HA 1 1 10 8100 1 1 38 CYS HB2 H -7.858 10.687 1.648 1.00 . A A . 38 CYS HB2 1 1 10 8101 1 1 38 CYS HB3 H -7.402 11.150 3.284 1.00 . A A . 38 CYS HB3 1 1 10 8102 1 1 38 CYS N N -5.406 11.004 0.568 1.00 . A A . 38 CYS N 1 1 10 8103 1 1 38 CYS O O -5.860 8.442 1.611 1.00 . A A . 38 CYS O 1 1 10 8104 1 1 38 CYS SG S -7.471 13.032 1.821 1.00 . A A . 38 CYS SG 1 1 10 8105 1 1 39 ALA C C -6.330 7.123 4.406 1.00 . A A . 39 ALA C 1 1 10 8106 1 1 39 ALA CA C -4.991 7.812 4.172 1.00 . A A . 39 ALA CA 1 1 10 8107 1 1 39 ALA CB C -4.192 7.868 5.467 1.00 . A A . 39 ALA CB 1 1 10 8108 1 1 39 ALA H H -4.989 9.927 4.206 1.00 . A A . 39 ALA H 1 1 10 8109 1 1 39 ALA HA H -4.425 7.239 3.453 1.00 . A A . 39 ALA HA 1 1 10 8110 1 1 39 ALA HB1 H -4.418 6.998 6.066 1.00 . A A . 39 ALA HB1 1 1 10 8111 1 1 39 ALA HB2 H -4.455 8.762 6.014 1.00 . A A . 39 ALA HB2 1 1 10 8112 1 1 39 ALA HB3 H -3.137 7.884 5.238 1.00 . A A . 39 ALA HB3 1 1 10 8113 1 1 39 ALA N N -5.175 9.154 3.634 1.00 . A A . 39 ALA N 1 1 10 8114 1 1 39 ALA O O -7.280 7.738 4.889 1.00 . A A . 39 ALA O 1 1 10 8115 1 1 40 ALA C C -7.672 4.453 5.640 1.00 . A A . 40 ALA C 1 1 10 8116 1 1 40 ALA CA C -7.619 5.066 4.245 1.00 . A A . 40 ALA CA 1 1 10 8117 1 1 40 ALA CB C -7.715 3.980 3.184 1.00 . A A . 40 ALA CB 1 1 10 8118 1 1 40 ALA H H -5.605 5.403 3.690 1.00 . A A . 40 ALA H 1 1 10 8119 1 1 40 ALA HA H -8.459 5.735 4.122 1.00 . A A . 40 ALA HA 1 1 10 8120 1 1 40 ALA HB1 H -8.720 3.952 2.788 1.00 . A A . 40 ALA HB1 1 1 10 8121 1 1 40 ALA HB2 H -7.475 3.023 3.624 1.00 . A A . 40 ALA HB2 1 1 10 8122 1 1 40 ALA HB3 H -7.020 4.194 2.386 1.00 . A A . 40 ALA HB3 1 1 10 8123 1 1 40 ALA N N -6.397 5.840 4.066 1.00 . A A . 40 ALA N 1 1 10 8124 1 1 40 ALA O O -6.661 4.388 6.339 1.00 . A A . 40 ALA O 1 1 10 8125 1 1 41 LYS C C -8.165 2.143 7.487 1.00 . A A . 41 LYS C 1 1 10 8126 1 1 41 LYS CA C -9.032 3.391 7.353 1.00 . A A . 41 LYS CA 1 1 10 8127 1 1 41 LYS CB C -10.505 3.040 7.586 1.00 . A A . 41 LYS CB 1 1 10 8128 1 1 41 LYS CD C -12.709 3.836 8.502 1.00 . A A . 41 LYS CD 1 1 10 8129 1 1 41 LYS CE C -13.364 5.191 8.283 1.00 . A A . 41 LYS CE 1 1 10 8130 1 1 41 LYS CG C -11.195 3.952 8.587 1.00 . A A . 41 LYS CG 1 1 10 8131 1 1 41 LYS H H -9.627 4.077 5.440 1.00 . A A . 41 LYS H 1 1 10 8132 1 1 41 LYS HA H -8.721 4.111 8.097 1.00 . A A . 41 LYS HA 1 1 10 8133 1 1 41 LYS HB2 H -11.034 3.108 6.647 1.00 . A A . 41 LYS HB2 1 1 10 8134 1 1 41 LYS HB3 H -10.570 2.025 7.952 1.00 . A A . 41 LYS HB3 1 1 10 8135 1 1 41 LYS HD2 H -12.967 3.187 7.679 1.00 . A A . 41 LYS HD2 1 1 10 8136 1 1 41 LYS HD3 H -13.080 3.413 9.425 1.00 . A A . 41 LYS HD3 1 1 10 8137 1 1 41 LYS HE2 H -12.834 5.710 7.498 1.00 . A A . 41 LYS HE2 1 1 10 8138 1 1 41 LYS HE3 H -14.389 5.037 7.984 1.00 . A A . 41 LYS HE3 1 1 10 8139 1 1 41 LYS HG2 H -10.879 3.680 9.584 1.00 . A A . 41 LYS HG2 1 1 10 8140 1 1 41 LYS HG3 H -10.907 4.974 8.384 1.00 . A A . 41 LYS HG3 1 1 10 8141 1 1 41 LYS HZ1 H -13.759 5.503 10.311 1.00 . A A . 41 LYS HZ1 1 1 10 8142 1 1 41 LYS HZ2 H -13.880 6.901 9.366 1.00 . A A . 41 LYS HZ2 1 1 10 8143 1 1 41 LYS HZ3 H -12.358 6.275 9.758 1.00 . A A . 41 LYS HZ3 1 1 10 8144 1 1 41 LYS N N -8.856 4.001 6.040 1.00 . A A . 41 LYS N 1 1 10 8145 1 1 41 LYS NZ N -13.338 6.026 9.515 1.00 . A A . 41 LYS NZ 1 1 10 8146 1 1 41 LYS O O -7.169 2.140 8.210 1.00 . A A . 41 LYS O 1 1 10 8147 1 1 42 ARG C C -6.675 -0.170 5.806 1.00 . A A . 42 ARG C 1 1 10 8148 1 1 42 ARG CA C -7.812 -0.172 6.822 1.00 . A A . 42 ARG CA 1 1 10 8149 1 1 42 ARG CB C -8.747 -1.351 6.544 1.00 . A A . 42 ARG CB 1 1 10 8150 1 1 42 ARG CD C -9.713 -2.425 8.599 1.00 . A A . 42 ARG CD 1 1 10 8151 1 1 42 ARG CG C -9.940 -1.416 7.485 1.00 . A A . 42 ARG CG 1 1 10 8152 1 1 42 ARG CZ C -8.092 -2.791 10.418 1.00 . A A . 42 ARG CZ 1 1 10 8153 1 1 42 ARG H H -9.351 1.144 6.227 1.00 . A A . 42 ARG H 1 1 10 8154 1 1 42 ARG HA H -7.399 -0.280 7.811 1.00 . A A . 42 ARG HA 1 1 10 8155 1 1 42 ARG HB2 H -9.115 -1.273 5.533 1.00 . A A . 42 ARG HB2 1 1 10 8156 1 1 42 ARG HB3 H -8.187 -2.269 6.645 1.00 . A A . 42 ARG HB3 1 1 10 8157 1 1 42 ARG HD2 H -10.635 -2.551 9.146 1.00 . A A . 42 ARG HD2 1 1 10 8158 1 1 42 ARG HD3 H -9.422 -3.368 8.161 1.00 . A A . 42 ARG HD3 1 1 10 8159 1 1 42 ARG HE H -8.384 -1.054 9.479 1.00 . A A . 42 ARG HE 1 1 10 8160 1 1 42 ARG HG2 H -10.095 -0.440 7.921 1.00 . A A . 42 ARG HG2 1 1 10 8161 1 1 42 ARG HG3 H -10.815 -1.704 6.922 1.00 . A A . 42 ARG HG3 1 1 10 8162 1 1 42 ARG HH11 H -9.162 -4.430 9.907 1.00 . A A . 42 ARG HH11 1 1 10 8163 1 1 42 ARG HH12 H -8.013 -4.660 11.183 1.00 . A A . 42 ARG HH12 1 1 10 8164 1 1 42 ARG HH21 H -6.874 -1.357 11.156 1.00 . A A . 42 ARG HH21 1 1 10 8165 1 1 42 ARG HH22 H -6.717 -2.917 11.893 1.00 . A A . 42 ARG HH22 1 1 10 8166 1 1 42 ARG N N -8.551 1.082 6.783 1.00 . A A . 42 ARG N 1 1 10 8167 1 1 42 ARG NE N -8.670 -1.991 9.525 1.00 . A A . 42 ARG NE 1 1 10 8168 1 1 42 ARG NH1 N -8.452 -4.065 10.510 1.00 . A A . 42 ARG NH1 1 1 10 8169 1 1 42 ARG NH2 N -7.151 -2.316 11.221 1.00 . A A . 42 ARG NH2 1 1 10 8170 1 1 42 ARG O O -5.601 -0.713 6.063 1.00 . A A . 42 ARG O 1 1 10 8171 1 1 43 ASN C C -4.886 1.487 3.869 1.00 . A A . 43 ASN C 1 1 10 8172 1 1 43 ASN CA C -5.956 0.441 3.569 1.00 . A A . 43 ASN CA 1 1 10 8173 1 1 43 ASN CB C -6.663 0.784 2.261 1.00 . A A . 43 ASN CB 1 1 10 8174 1 1 43 ASN CG C -6.277 -0.161 1.162 1.00 . A A . 43 ASN CG 1 1 10 8175 1 1 43 ASN H H -7.823 0.772 4.468 1.00 . A A . 43 ASN H 1 1 10 8176 1 1 43 ASN HA H -5.493 -0.529 3.491 1.00 . A A . 43 ASN HA 1 1 10 8177 1 1 43 ASN HB2 H -7.731 0.721 2.407 1.00 . A A . 43 ASN HB2 1 1 10 8178 1 1 43 ASN HB3 H -6.402 1.787 1.960 1.00 . A A . 43 ASN HB3 1 1 10 8179 1 1 43 ASN HD21 H -7.352 -1.543 2.087 1.00 . A A . 43 ASN HD21 1 1 10 8180 1 1 43 ASN HD22 H -6.570 -2.050 0.618 1.00 . A A . 43 ASN HD22 1 1 10 8181 1 1 43 ASN N N -6.935 0.403 4.636 1.00 . A A . 43 ASN N 1 1 10 8182 1 1 43 ASN ND2 N -6.781 -1.375 1.296 1.00 . A A . 43 ASN ND2 1 1 10 8183 1 1 43 ASN O O -4.819 2.535 3.225 1.00 . A A . 43 ASN O 1 1 10 8184 1 1 43 ASN OD1 O -5.556 0.181 0.224 1.00 . A A . 43 ASN OD1 1 1 10 8185 1 1 44 ASN C C -1.862 1.362 5.967 1.00 . A A . 44 ASN C 1 1 10 8186 1 1 44 ASN CA C -2.995 2.110 5.268 1.00 . A A . 44 ASN CA 1 1 10 8187 1 1 44 ASN CB C -3.555 3.190 6.195 1.00 . A A . 44 ASN CB 1 1 10 8188 1 1 44 ASN CG C -2.486 4.144 6.695 1.00 . A A . 44 ASN CG 1 1 10 8189 1 1 44 ASN H H -4.171 0.349 5.343 1.00 . A A . 44 ASN H 1 1 10 8190 1 1 44 ASN HA H -2.606 2.581 4.379 1.00 . A A . 44 ASN HA 1 1 10 8191 1 1 44 ASN HB2 H -4.298 3.762 5.659 1.00 . A A . 44 ASN HB2 1 1 10 8192 1 1 44 ASN HB3 H -4.017 2.718 7.048 1.00 . A A . 44 ASN HB3 1 1 10 8193 1 1 44 ASN HD21 H -2.738 3.490 8.557 1.00 . A A . 44 ASN HD21 1 1 10 8194 1 1 44 ASN HD22 H -1.547 4.724 8.350 1.00 . A A . 44 ASN HD22 1 1 10 8195 1 1 44 ASN N N -4.059 1.197 4.865 1.00 . A A . 44 ASN N 1 1 10 8196 1 1 44 ASN ND2 N -2.230 4.116 7.998 1.00 . A A . 44 ASN ND2 1 1 10 8197 1 1 44 ASN O O -1.901 1.158 7.180 1.00 . A A . 44 ASN O 1 1 10 8198 1 1 44 ASN OD1 O -1.894 4.893 5.919 1.00 . A A . 44 ASN OD1 1 1 10 8199 1 1 45 PHE C C 1.513 1.132 5.811 1.00 . A A . 45 PHE C 1 1 10 8200 1 1 45 PHE CA C 0.280 0.233 5.751 1.00 . A A . 45 PHE CA 1 1 10 8201 1 1 45 PHE CB C 0.547 -1.007 4.904 1.00 . A A . 45 PHE CB 1 1 10 8202 1 1 45 PHE CD1 C -0.857 -2.903 5.765 1.00 . A A . 45 PHE CD1 1 1 10 8203 1 1 45 PHE CD2 C -1.579 -1.757 3.800 1.00 . A A . 45 PHE CD2 1 1 10 8204 1 1 45 PHE CE1 C -1.967 -3.724 5.698 1.00 . A A . 45 PHE CE1 1 1 10 8205 1 1 45 PHE CE2 C -2.693 -2.574 3.728 1.00 . A A . 45 PHE CE2 1 1 10 8206 1 1 45 PHE CG C -0.649 -1.911 4.818 1.00 . A A . 45 PHE CG 1 1 10 8207 1 1 45 PHE CZ C -2.888 -3.561 4.678 1.00 . A A . 45 PHE CZ 1 1 10 8208 1 1 45 PHE H H -0.873 1.138 4.238 1.00 . A A . 45 PHE H 1 1 10 8209 1 1 45 PHE HA H 0.023 -0.077 6.756 1.00 . A A . 45 PHE HA 1 1 10 8210 1 1 45 PHE HB2 H 0.812 -0.702 3.899 1.00 . A A . 45 PHE HB2 1 1 10 8211 1 1 45 PHE HB3 H 1.360 -1.565 5.338 1.00 . A A . 45 PHE HB3 1 1 10 8212 1 1 45 PHE HD1 H -0.139 -3.033 6.562 1.00 . A A . 45 PHE HD1 1 1 10 8213 1 1 45 PHE HD2 H -1.428 -0.988 3.056 1.00 . A A . 45 PHE HD2 1 1 10 8214 1 1 45 PHE HE1 H -2.116 -4.493 6.442 1.00 . A A . 45 PHE HE1 1 1 10 8215 1 1 45 PHE HE2 H -3.411 -2.443 2.931 1.00 . A A . 45 PHE HE2 1 1 10 8216 1 1 45 PHE HZ H -3.757 -4.201 4.624 1.00 . A A . 45 PHE HZ 1 1 10 8217 1 1 45 PHE N N -0.855 0.955 5.199 1.00 . A A . 45 PHE N 1 1 10 8218 1 1 45 PHE O O 1.815 1.854 4.860 1.00 . A A . 45 PHE O 1 1 10 8219 1 1 46 LYS C C 4.501 1.586 6.146 1.00 . A A . 46 LYS C 1 1 10 8220 1 1 46 LYS CA C 3.395 1.920 7.147 1.00 . A A . 46 LYS CA 1 1 10 8221 1 1 46 LYS CB C 3.917 1.745 8.576 1.00 . A A . 46 LYS CB 1 1 10 8222 1 1 46 LYS CD C 3.244 2.464 10.892 1.00 . A A . 46 LYS CD 1 1 10 8223 1 1 46 LYS CE C 1.747 2.541 11.140 1.00 . A A . 46 LYS CE 1 1 10 8224 1 1 46 LYS CG C 3.602 2.923 9.487 1.00 . A A . 46 LYS CG 1 1 10 8225 1 1 46 LYS H H 1.905 0.512 7.669 1.00 . A A . 46 LYS H 1 1 10 8226 1 1 46 LYS HA H 3.108 2.950 7.008 1.00 . A A . 46 LYS HA 1 1 10 8227 1 1 46 LYS HB2 H 3.471 0.859 9.004 1.00 . A A . 46 LYS HB2 1 1 10 8228 1 1 46 LYS HB3 H 4.989 1.619 8.546 1.00 . A A . 46 LYS HB3 1 1 10 8229 1 1 46 LYS HD2 H 3.568 1.441 11.021 1.00 . A A . 46 LYS HD2 1 1 10 8230 1 1 46 LYS HD3 H 3.752 3.096 11.606 1.00 . A A . 46 LYS HD3 1 1 10 8231 1 1 46 LYS HE2 H 1.572 2.564 12.206 1.00 . A A . 46 LYS HE2 1 1 10 8232 1 1 46 LYS HE3 H 1.367 3.448 10.693 1.00 . A A . 46 LYS HE3 1 1 10 8233 1 1 46 LYS HG2 H 4.468 3.566 9.539 1.00 . A A . 46 LYS HG2 1 1 10 8234 1 1 46 LYS HG3 H 2.769 3.471 9.073 1.00 . A A . 46 LYS HG3 1 1 10 8235 1 1 46 LYS HZ1 H 0.064 1.655 10.274 1.00 . A A . 46 LYS HZ1 1 1 10 8236 1 1 46 LYS HZ2 H 0.960 0.609 11.256 1.00 . A A . 46 LYS HZ2 1 1 10 8237 1 1 46 LYS HZ3 H 1.533 1.024 9.720 1.00 . A A . 46 LYS HZ3 1 1 10 8238 1 1 46 LYS N N 2.207 1.098 6.944 1.00 . A A . 46 LYS N 1 1 10 8239 1 1 46 LYS NZ N 1.026 1.376 10.557 1.00 . A A . 46 LYS NZ 1 1 10 8240 1 1 46 LYS O O 5.465 2.339 6.008 1.00 . A A . 46 LYS O 1 1 10 8241 1 1 47 SER C C 4.769 -0.869 3.426 1.00 . A A . 47 SER C 1 1 10 8242 1 1 47 SER CA C 5.370 0.052 4.477 1.00 . A A . 47 SER CA 1 1 10 8243 1 1 47 SER CB C 6.530 -0.660 5.173 1.00 . A A . 47 SER CB 1 1 10 8244 1 1 47 SER H H 3.585 -0.109 5.597 1.00 . A A . 47 SER H 1 1 10 8245 1 1 47 SER HA H 5.743 0.940 3.992 1.00 . A A . 47 SER HA 1 1 10 8246 1 1 47 SER HB2 H 6.788 -1.554 4.619 1.00 . A A . 47 SER HB2 1 1 10 8247 1 1 47 SER HB3 H 7.382 0.000 5.209 1.00 . A A . 47 SER HB3 1 1 10 8248 1 1 47 SER HG H 6.197 -1.989 6.574 1.00 . A A . 47 SER HG 1 1 10 8249 1 1 47 SER N N 4.367 0.461 5.451 1.00 . A A . 47 SER N 1 1 10 8250 1 1 47 SER O O 3.827 -1.611 3.703 1.00 . A A . 47 SER O 1 1 10 8251 1 1 47 SER OG O 6.183 -1.032 6.496 1.00 . A A . 47 SER OG 1 1 10 8252 1 1 48 ALA C C 4.947 -3.138 1.569 1.00 . A A . 48 ALA C 1 1 10 8253 1 1 48 ALA CA C 4.854 -1.685 1.147 1.00 . A A . 48 ALA CA 1 1 10 8254 1 1 48 ALA CB C 5.639 -1.442 -0.134 1.00 . A A . 48 ALA CB 1 1 10 8255 1 1 48 ALA H H 6.093 -0.233 2.064 1.00 . A A . 48 ALA H 1 1 10 8256 1 1 48 ALA HA H 3.814 -1.440 0.970 1.00 . A A . 48 ALA HA 1 1 10 8257 1 1 48 ALA HB1 H 5.010 -0.937 -0.852 1.00 . A A . 48 ALA HB1 1 1 10 8258 1 1 48 ALA HB2 H 5.963 -2.389 -0.544 1.00 . A A . 48 ALA HB2 1 1 10 8259 1 1 48 ALA HB3 H 6.502 -0.832 0.082 1.00 . A A . 48 ALA HB3 1 1 10 8260 1 1 48 ALA N N 5.334 -0.833 2.223 1.00 . A A . 48 ALA N 1 1 10 8261 1 1 48 ALA O O 4.050 -3.934 1.297 1.00 . A A . 48 ALA O 1 1 10 8262 1 1 49 GLU C C 5.049 -5.139 3.701 1.00 . A A . 49 GLU C 1 1 10 8263 1 1 49 GLU CA C 6.206 -4.818 2.771 1.00 . A A . 49 GLU CA 1 1 10 8264 1 1 49 GLU CB C 7.542 -4.949 3.507 1.00 . A A . 49 GLU CB 1 1 10 8265 1 1 49 GLU CD C 9.367 -6.584 4.120 1.00 . A A . 49 GLU CD 1 1 10 8266 1 1 49 GLU CG C 8.364 -6.150 3.069 1.00 . A A . 49 GLU CG 1 1 10 8267 1 1 49 GLU H H 6.693 -2.785 2.482 1.00 . A A . 49 GLU H 1 1 10 8268 1 1 49 GLU HA H 6.185 -5.496 1.929 1.00 . A A . 49 GLU HA 1 1 10 8269 1 1 49 GLU HB2 H 8.126 -4.057 3.330 1.00 . A A . 49 GLU HB2 1 1 10 8270 1 1 49 GLU HB3 H 7.351 -5.039 4.566 1.00 . A A . 49 GLU HB3 1 1 10 8271 1 1 49 GLU HG2 H 7.696 -6.973 2.869 1.00 . A A . 49 GLU HG2 1 1 10 8272 1 1 49 GLU HG3 H 8.899 -5.894 2.166 1.00 . A A . 49 GLU HG3 1 1 10 8273 1 1 49 GLU N N 6.025 -3.469 2.271 1.00 . A A . 49 GLU N 1 1 10 8274 1 1 49 GLU O O 4.526 -6.253 3.710 1.00 . A A . 49 GLU O 1 1 10 8275 1 1 49 GLU OE1 O 8.986 -6.665 5.306 1.00 . A A . 49 GLU OE1 1 1 10 8276 1 1 49 GLU OE2 O 10.534 -6.840 3.756 1.00 . A A . 49 GLU OE2 1 1 10 8277 1 1 50 ASP C C 2.221 -4.462 4.615 1.00 . A A . 50 ASP C 1 1 10 8278 1 1 50 ASP CA C 3.525 -4.268 5.388 1.00 . A A . 50 ASP CA 1 1 10 8279 1 1 50 ASP CB C 3.429 -3.045 6.303 1.00 . A A . 50 ASP CB 1 1 10 8280 1 1 50 ASP CG C 3.907 -3.340 7.712 1.00 . A A . 50 ASP CG 1 1 10 8281 1 1 50 ASP H H 5.093 -3.259 4.394 1.00 . A A . 50 ASP H 1 1 10 8282 1 1 50 ASP HA H 3.704 -5.146 5.993 1.00 . A A . 50 ASP HA 1 1 10 8283 1 1 50 ASP HB2 H 4.037 -2.249 5.899 1.00 . A A . 50 ASP HB2 1 1 10 8284 1 1 50 ASP HB3 H 2.401 -2.719 6.355 1.00 . A A . 50 ASP HB3 1 1 10 8285 1 1 50 ASP N N 4.641 -4.129 4.467 1.00 . A A . 50 ASP N 1 1 10 8286 1 1 50 ASP O O 1.401 -5.307 4.974 1.00 . A A . 50 ASP O 1 1 10 8287 1 1 50 ASP OD1 O 3.199 -4.069 8.438 1.00 . A A . 50 ASP OD1 1 1 10 8288 1 1 50 ASP OD2 O 4.989 -2.843 8.089 1.00 . A A . 50 ASP OD2 1 1 10 8289 1 1 51 CYS C C 0.771 -5.168 2.075 1.00 . A A . 51 CYS C 1 1 10 8290 1 1 51 CYS CA C 0.831 -3.792 2.725 1.00 . A A . 51 CYS CA 1 1 10 8291 1 1 51 CYS CB C 0.828 -2.693 1.652 1.00 . A A . 51 CYS CB 1 1 10 8292 1 1 51 CYS H H 2.725 -3.026 3.287 1.00 . A A . 51 CYS H 1 1 10 8293 1 1 51 CYS HA H -0.028 -3.667 3.368 1.00 . A A . 51 CYS HA 1 1 10 8294 1 1 51 CYS HB2 H 0.586 -1.749 2.120 1.00 . A A . 51 CYS HB2 1 1 10 8295 1 1 51 CYS HB3 H 1.816 -2.629 1.214 1.00 . A A . 51 CYS HB3 1 1 10 8296 1 1 51 CYS N N 2.035 -3.683 3.542 1.00 . A A . 51 CYS N 1 1 10 8297 1 1 51 CYS O O -0.160 -5.939 2.302 1.00 . A A . 51 CYS O 1 1 10 8298 1 1 51 CYS SG S -0.364 -2.951 0.295 1.00 . A A . 51 CYS SG 1 1 10 8299 1 1 52 LEU C C 1.719 -7.918 1.567 1.00 . A A . 52 LEU C 1 1 10 8300 1 1 52 LEU CA C 1.875 -6.752 0.595 1.00 . A A . 52 LEU CA 1 1 10 8301 1 1 52 LEU CB C 3.218 -6.854 -0.126 1.00 . A A . 52 LEU CB 1 1 10 8302 1 1 52 LEU CD1 C 4.646 -6.306 -2.107 1.00 . A A . 52 LEU CD1 1 1 10 8303 1 1 52 LEU CD2 C 2.156 -6.320 -2.335 1.00 . A A . 52 LEU CD2 1 1 10 8304 1 1 52 LEU CG C 3.327 -6.027 -1.407 1.00 . A A . 52 LEU CG 1 1 10 8305 1 1 52 LEU H H 2.504 -4.815 1.156 1.00 . A A . 52 LEU H 1 1 10 8306 1 1 52 LEU HA H 1.081 -6.792 -0.136 1.00 . A A . 52 LEU HA 1 1 10 8307 1 1 52 LEU HB2 H 3.994 -6.528 0.556 1.00 . A A . 52 LEU HB2 1 1 10 8308 1 1 52 LEU HB3 H 3.392 -7.889 -0.375 1.00 . A A . 52 LEU HB3 1 1 10 8309 1 1 52 LEU HD11 H 4.521 -6.179 -3.172 1.00 . A A . 52 LEU HD11 1 1 10 8310 1 1 52 LEU HD12 H 4.955 -7.320 -1.899 1.00 . A A . 52 LEU HD12 1 1 10 8311 1 1 52 LEU HD13 H 5.398 -5.619 -1.748 1.00 . A A . 52 LEU HD13 1 1 10 8312 1 1 52 LEU HD21 H 1.427 -5.528 -2.257 1.00 . A A . 52 LEU HD21 1 1 10 8313 1 1 52 LEU HD22 H 1.700 -7.258 -2.053 1.00 . A A . 52 LEU HD22 1 1 10 8314 1 1 52 LEU HD23 H 2.511 -6.384 -3.353 1.00 . A A . 52 LEU HD23 1 1 10 8315 1 1 52 LEU HG H 3.298 -4.977 -1.150 1.00 . A A . 52 LEU HG 1 1 10 8316 1 1 52 LEU N N 1.787 -5.471 1.282 1.00 . A A . 52 LEU N 1 1 10 8317 1 1 52 LEU O O 1.033 -8.893 1.271 1.00 . A A . 52 LEU O 1 1 10 8318 1 1 53 ARG C C 0.842 -9.126 4.159 1.00 . A A . 53 ARG C 1 1 10 8319 1 1 53 ARG CA C 2.283 -8.872 3.730 1.00 . A A . 53 ARG CA 1 1 10 8320 1 1 53 ARG CB C 3.128 -8.505 4.952 1.00 . A A . 53 ARG CB 1 1 10 8321 1 1 53 ARG CD C 4.643 -10.467 5.352 1.00 . A A . 53 ARG CD 1 1 10 8322 1 1 53 ARG CG C 4.554 -9.024 4.886 1.00 . A A . 53 ARG CG 1 1 10 8323 1 1 53 ARG CZ C 5.834 -12.492 4.608 1.00 . A A . 53 ARG CZ 1 1 10 8324 1 1 53 ARG H H 2.889 -7.014 2.912 1.00 . A A . 53 ARG H 1 1 10 8325 1 1 53 ARG HA H 2.680 -9.774 3.288 1.00 . A A . 53 ARG HA 1 1 10 8326 1 1 53 ARG HB2 H 3.161 -7.429 5.044 1.00 . A A . 53 ARG HB2 1 1 10 8327 1 1 53 ARG HB3 H 2.659 -8.917 5.834 1.00 . A A . 53 ARG HB3 1 1 10 8328 1 1 53 ARG HD2 H 4.756 -10.479 6.426 1.00 . A A . 53 ARG HD2 1 1 10 8329 1 1 53 ARG HD3 H 3.728 -10.974 5.082 1.00 . A A . 53 ARG HD3 1 1 10 8330 1 1 53 ARG HE H 6.524 -10.627 4.429 1.00 . A A . 53 ARG HE 1 1 10 8331 1 1 53 ARG HG2 H 4.903 -8.963 3.865 1.00 . A A . 53 ARG HG2 1 1 10 8332 1 1 53 ARG HG3 H 5.179 -8.412 5.519 1.00 . A A . 53 ARG HG3 1 1 10 8333 1 1 53 ARG HH11 H 4.034 -12.850 5.459 1.00 . A A . 53 ARG HH11 1 1 10 8334 1 1 53 ARG HH12 H 4.893 -14.253 4.921 1.00 . A A . 53 ARG HH12 1 1 10 8335 1 1 53 ARG HH21 H 7.652 -12.474 3.723 1.00 . A A . 53 ARG HH21 1 1 10 8336 1 1 53 ARG HH22 H 6.947 -14.042 3.938 1.00 . A A . 53 ARG HH22 1 1 10 8337 1 1 53 ARG N N 2.356 -7.814 2.727 1.00 . A A . 53 ARG N 1 1 10 8338 1 1 53 ARG NE N 5.772 -11.170 4.749 1.00 . A A . 53 ARG NE 1 1 10 8339 1 1 53 ARG NH1 N 4.839 -13.262 5.031 1.00 . A A . 53 ARG NH1 1 1 10 8340 1 1 53 ARG NH2 N 6.899 -13.048 4.043 1.00 . A A . 53 ARG NH2 1 1 10 8341 1 1 53 ARG O O 0.372 -10.264 4.149 1.00 . A A . 53 ARG O 1 1 10 8342 1 1 54 THR C C -2.195 -8.264 3.799 1.00 . A A . 54 THR C 1 1 10 8343 1 1 54 THR CA C -1.237 -8.165 4.981 1.00 . A A . 54 THR CA 1 1 10 8344 1 1 54 THR CB C -1.600 -6.951 5.833 1.00 . A A . 54 THR CB 1 1 10 8345 1 1 54 THR CG2 C -2.785 -7.190 6.745 1.00 . A A . 54 THR CG2 1 1 10 8346 1 1 54 THR H H 0.577 -7.182 4.524 1.00 . A A . 54 THR H 1 1 10 8347 1 1 54 THR HA H -1.329 -9.056 5.583 1.00 . A A . 54 THR HA 1 1 10 8348 1 1 54 THR HB H -1.848 -6.127 5.178 1.00 . A A . 54 THR HB 1 1 10 8349 1 1 54 THR HG1 H -0.356 -7.226 7.321 1.00 . A A . 54 THR HG1 1 1 10 8350 1 1 54 THR HG21 H -2.800 -8.226 7.051 1.00 . A A . 54 THR HG21 1 1 10 8351 1 1 54 THR HG22 H -3.698 -6.957 6.217 1.00 . A A . 54 THR HG22 1 1 10 8352 1 1 54 THR HG23 H -2.701 -6.558 7.617 1.00 . A A . 54 THR HG23 1 1 10 8353 1 1 54 THR N N 0.148 -8.062 4.538 1.00 . A A . 54 THR N 1 1 10 8354 1 1 54 THR O O -2.951 -9.228 3.674 1.00 . A A . 54 THR O 1 1 10 8355 1 1 54 THR OG1 O -0.505 -6.561 6.644 1.00 . A A . 54 THR OG1 1 1 10 8356 1 1 55 CYS C C -2.664 -8.208 0.738 1.00 . A A . 55 CYS C 1 1 10 8357 1 1 55 CYS CA C -3.051 -7.180 1.794 1.00 . A A . 55 CYS CA 1 1 10 8358 1 1 55 CYS CB C -3.027 -5.778 1.183 1.00 . A A . 55 CYS CB 1 1 10 8359 1 1 55 CYS H H -1.568 -6.494 3.128 1.00 . A A . 55 CYS H 1 1 10 8360 1 1 55 CYS HA H -4.050 -7.395 2.130 1.00 . A A . 55 CYS HA 1 1 10 8361 1 1 55 CYS HB2 H -2.508 -5.103 1.851 1.00 . A A . 55 CYS HB2 1 1 10 8362 1 1 55 CYS HB3 H -2.506 -5.811 0.236 1.00 . A A . 55 CYS HB3 1 1 10 8363 1 1 55 CYS N N -2.176 -7.240 2.955 1.00 . A A . 55 CYS N 1 1 10 8364 1 1 55 CYS O O -3.520 -8.918 0.210 1.00 . A A . 55 CYS O 1 1 10 8365 1 1 55 CYS SG S -4.684 -5.089 0.878 1.00 . A A . 55 CYS SG 1 1 10 8366 1 1 56 GLY C C -1.772 -9.215 -1.835 1.00 . A A . 56 GLY C 1 1 10 8367 1 1 56 GLY CA C -0.903 -9.210 -0.590 1.00 . A A . 56 GLY CA 1 1 10 8368 1 1 56 GLY H H -0.734 -7.673 0.863 1.00 . A A . 56 GLY H 1 1 10 8369 1 1 56 GLY HA2 H 0.107 -8.942 -0.873 1.00 . A A . 56 GLY HA2 1 1 10 8370 1 1 56 GLY HA3 H -0.895 -10.204 -0.165 1.00 . A A . 56 GLY HA3 1 1 10 8371 1 1 56 GLY N N -1.375 -8.272 0.417 1.00 . A A . 56 GLY N 1 1 10 8372 1 1 56 GLY O O -2.618 -8.337 -2.011 1.00 . A A . 56 GLY O 1 1 10 8373 1 1 57 GLY C C -2.055 -11.542 -4.719 1.00 . A A . 57 GLY C 1 1 10 8374 1 1 57 GLY CA C -2.357 -10.293 -3.915 1.00 . A A . 57 GLY CA 1 1 10 8375 1 1 57 GLY H H -0.888 -10.880 -2.507 1.00 . A A . 57 GLY H 1 1 10 8376 1 1 57 GLY HA2 H -3.406 -10.292 -3.654 1.00 . A A . 57 GLY HA2 1 1 10 8377 1 1 57 GLY HA3 H -2.148 -9.426 -4.527 1.00 . A A . 57 GLY HA3 1 1 10 8378 1 1 57 GLY N N -1.572 -10.205 -2.698 1.00 . A A . 57 GLY N 1 1 10 8379 1 1 57 GLY O O -1.222 -12.357 -4.323 1.00 . A A . 57 GLY O 1 1 10 8380 1 1 58 ALA C C -3.067 -14.118 -6.070 1.00 . A A . 58 ALA C 1 1 10 8381 1 1 58 ALA CA C -2.536 -12.845 -6.721 1.00 . A A . 58 ALA CA 1 1 10 8382 1 1 58 ALA CB C -1.063 -13.003 -7.074 1.00 . A A . 58 ALA CB 1 1 10 8383 1 1 58 ALA H H -3.382 -11.003 -6.115 1.00 . A A . 58 ALA H 1 1 10 8384 1 1 58 ALA HA H -3.082 -12.668 -7.636 1.00 . A A . 58 ALA HA 1 1 10 8385 1 1 58 ALA HB1 H -0.562 -12.051 -6.961 1.00 . A A . 58 ALA HB1 1 1 10 8386 1 1 58 ALA HB2 H -0.971 -13.339 -8.096 1.00 . A A . 58 ALA HB2 1 1 10 8387 1 1 58 ALA HB3 H -0.610 -13.728 -6.414 1.00 . A A . 58 ALA HB3 1 1 10 8388 1 1 58 ALA N N -2.732 -11.690 -5.854 1.00 . A A . 58 ALA N 1 1 10 8389 1 1 58 ALA O O -2.330 -14.719 -5.260 1.00 . A A . 58 ALA O 1 1 10 8390 1 1 58 ALA OXT O -4.216 -14.502 -6.374 1.00 . A A . 58 ALA OXT 1 1 stop_ save_
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