NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
451297 | 2roo | 11044 | cing | 4-filtered-FRED | STAR | entry | full | 527 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2roo # This FRED archive file contains, for PDB entry <2roo>: # # - 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_2roo _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2roo _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 5154.86 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 $Neurotoxin_magi_4 A . 1 1 stop_ save_ save_Neurotoxin_magi_4 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Neurotoxin magi 4" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code CGSKRAWCKEKKDCCCGYNCVYAWYNQQSSCERKWKYLFTGEC _Entity.Number_of_monomers 43 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 CYS . 1 1 2 GLY . 1 1 3 SER . 1 1 4 LYS . 1 1 5 ARG . 1 1 6 ALA . 1 1 7 TRP . 1 1 8 CYS . 1 1 9 LYS . 1 1 10 GLU . 1 1 11 LYS . 1 1 12 LYS . 1 1 13 ASP . 1 1 14 CYS . 1 1 15 CYS . 1 1 16 CYS . 1 1 17 GLY . 1 1 18 TYR . 1 1 19 ASN . 1 1 20 CYS . 1 1 21 VAL . 1 1 22 TYR . 1 1 23 ALA . 1 1 24 TRP . 1 1 25 TYR . 1 1 26 ASN . 1 1 27 GLN . 1 1 28 GLN . 1 1 29 SER . 1 1 30 SER . 1 1 31 CYS . 1 1 32 GLU . 1 1 33 ARG . 1 1 34 LYS . 1 1 35 TRP . 1 1 36 LYS . 1 1 37 TYR . 1 1 38 LEU . 1 1 39 PHE . 1 1 40 THR . 1 1 41 GLY . 1 1 42 GLU . 1 1 43 CYS . 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 CYS 1 1 1 1 GLY 2 2 1 1 SER 3 3 1 1 LYS 4 4 1 1 ARG 5 5 1 1 ALA 6 6 1 1 TRP 7 7 1 1 CYS 8 8 1 1 LYS 9 9 1 1 GLU 10 10 1 1 LYS 11 11 1 1 LYS 12 12 1 1 ASP 13 13 1 1 CYS 14 14 1 1 CYS 15 15 1 1 CYS 16 16 1 1 GLY 17 17 1 1 TYR 18 18 1 1 ASN 19 19 1 1 CYS 20 20 1 1 VAL 21 21 1 1 TYR 22 22 1 1 ALA 23 23 1 1 TRP 24 24 1 1 TYR 25 25 1 1 ASN 26 26 1 1 GLN 27 27 1 1 GLN 28 28 1 1 SER 29 29 1 1 SER 30 30 1 1 CYS 31 31 1 1 GLU 32 32 1 1 ARG 33 33 1 1 LYS 34 34 1 1 TRP 35 35 1 1 LYS 36 36 1 1 TYR 37 37 1 1 LEU 38 38 1 1 PHE 39 39 1 1 THR 40 40 1 1 GLY 41 41 1 1 GLU 42 42 1 1 CYS 43 43 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 1 485 1 . . . 1 1 486 1 . . . 1 1 487 1 . . . 1 1 488 1 . . . 1 1 489 1 . . . 1 1 490 1 . . . 1 1 491 1 . . . 1 1 492 1 . . . 1 1 493 1 . . . 1 1 494 1 . . . 1 1 495 1 . . . 1 1 496 1 . . . 1 1 497 1 . . . 1 1 498 1 . . . 1 1 499 1 . . . 1 1 500 1 . . . 1 1 501 1 . . . 1 1 502 1 . . . 1 1 503 1 . . . 1 1 504 1 . . . 1 1 505 1 . . . 1 1 506 1 . . . 1 1 507 1 . . . 1 1 508 1 . . . 1 1 509 1 . . . 1 1 510 1 . . . 1 1 511 1 . . . 1 1 512 1 . . . 1 1 513 1 . . . 1 1 514 1 . . . 1 1 515 1 . . . 1 1 516 1 . . . 1 1 517 1 . . . 1 1 518 1 . . . 1 1 519 1 . . . 1 1 520 1 . . . 1 1 521 1 . . . 1 1 522 1 . . . 1 1 523 1 . . . 1 1 524 1 . . . 1 1 525 1 . . . 1 1 526 1 . . . 1 1 527 1 . . . 1 1 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 CYS HA . 1 . HA 1 1 1 1 2 1 1 2 GLY H . 2 . HN 1 1 2 1 1 1 1 1 CYS HB2 . 1 . HB2 1 1 2 1 2 1 1 2 GLY H . 2 . HN 1 1 3 1 1 1 1 1 CYS HB2 . 1 . HB2 1 1 3 1 2 1 1 14 CYS HA . 14 . HA 1 1 4 1 1 1 1 1 CYS HB2 . 1 . HB2 1 1 4 1 2 1 1 15 CYS H . 15 . HN 1 1 5 1 1 1 1 1 CYS HB2 . 1 . HB2 1 1 5 1 2 1 1 15 CYS HA . 15 . HA 1 1 6 1 1 1 1 1 CYS HB3 . 1 . HB1 1 1 6 1 2 1 1 2 GLY H . 2 . HN 1 1 7 1 1 1 1 1 CYS HB3 . 1 . HB1 1 1 7 1 2 1 1 14 CYS HA . 14 . HA 1 1 8 1 1 1 1 1 CYS HB3 . 1 . HB1 1 1 8 1 2 1 1 15 CYS H . 15 . HN 1 1 9 1 1 1 1 1 CYS HB3 . 1 . HB1 1 1 9 1 2 1 1 15 CYS HA . 15 . HA 1 1 10 1 1 1 1 1 CYS HB3 . 1 . HB1 1 1 10 1 2 1 1 16 CYS H . 16 . HN 1 1 11 1 1 1 1 2 GLY H . 2 . HN 1 1 11 1 2 1 1 2 GLY HA3 . 2 . HA1 1 1 12 1 1 1 1 2 GLY H . 2 . HN 1 1 12 1 2 1 1 6 ALA MB . 6 . HB# 1 1 13 1 1 1 1 2 GLY H . 2 . HN 1 1 13 1 2 1 1 8 CYS HA . 8 . HA 1 1 14 1 1 1 1 2 GLY H . 2 . HN 1 1 14 1 2 1 1 14 CYS HA . 14 . HA 1 1 15 1 1 1 1 2 GLY H . 2 . HN 1 1 15 1 2 1 1 15 CYS H . 15 . HN 1 1 16 1 1 1 1 2 GLY HA2 . 2 . HA2 1 1 16 1 2 1 1 3 SER H . 3 . HN 1 1 17 1 1 1 1 2 GLY HA2 . 2 . HA2 1 1 17 1 2 1 1 6 ALA MB . 6 . HB# 1 1 18 1 1 1 1 2 GLY HA2 . 2 . HA2 1 1 18 1 2 1 1 15 CYS H . 15 . HN 1 1 19 1 1 1 1 2 GLY HA3 . 2 . HA1 1 1 19 1 2 1 1 3 SER H . 3 . HN 1 1 20 1 1 1 1 2 GLY HA3 . 2 . HA1 1 1 20 1 2 1 1 6 ALA MB . 6 . HB# 1 1 21 1 1 1 1 2 GLY HA3 . 2 . HA1 1 1 21 1 2 1 1 8 CYS HA . 8 . HA 1 1 22 1 1 1 1 2 GLY HA3 . 2 . HA1 1 1 22 1 2 1 1 14 CYS HA . 14 . HA 1 1 23 1 1 1 1 2 GLY HA3 . 2 . HA1 1 1 23 1 2 1 1 15 CYS H . 15 . HN 1 1 24 1 1 1 1 3 SER H . 3 . HN 1 1 24 1 2 1 1 4 LYS H . 4 . HN 1 1 25 1 1 1 1 3 SER H . 3 . HN 1 1 25 1 2 1 1 6 ALA MB . 6 . HB# 1 1 26 1 1 1 1 3 SER HA . 3 . HA 1 1 26 1 2 1 1 4 LYS H . 4 . HN 1 1 27 1 1 1 1 3 SER HA . 3 . HA 1 1 27 1 2 1 1 6 ALA MB . 6 . HB# 1 1 28 1 1 1 1 3 SER HA . 3 . HA 1 1 28 1 2 1 1 14 CYS HA . 14 . HA 1 1 29 1 1 1 1 3 SER HA . 3 . HA 1 1 29 1 2 1 1 15 CYS H . 15 . HN 1 1 30 1 1 1 1 3 SER HA . 3 . HA 1 1 30 1 2 1 1 18 TYR QD . 18 . HD# 1 1 31 1 1 1 1 3 SER QB . 3 . HB1 1 1 31 1 2 1 1 4 LYS H . 4 . HN 1 1 32 1 1 1 1 3 SER QB . 3 . HB1 1 1 32 1 2 1 1 18 TYR QD . 18 . HD# 1 1 33 1 1 1 1 3 SER QB . 3 . HB1 1 1 33 1 2 1 1 18 TYR QE . 18 . HE# 1 1 34 1 1 1 1 4 LYS H . 4 . HN 1 1 34 1 2 1 1 4 LYS HA . 4 . HA 1 1 35 1 1 1 1 4 LYS H . 4 . HN 1 1 35 1 2 1 1 4 LYS HB2 . 4 . HB2 1 1 36 1 1 1 1 4 LYS H . 4 . HN 1 1 36 1 2 1 1 4 LYS HB3 . 4 . HB1 1 1 37 1 1 1 1 4 LYS H . 4 . HN 1 1 37 1 2 1 1 4 LYS QD . 4 . HD# 1 1 38 1 1 1 1 4 LYS H . 4 . HN 1 1 38 1 2 1 1 4 LYS HG2 . 4 . HG2 1 1 39 1 1 1 1 4 LYS H . 4 . HN 1 1 39 1 2 1 1 4 LYS HG3 . 4 . HG1 1 1 40 1 1 1 1 4 LYS H . 4 . HN 1 1 40 1 2 1 1 5 ARG H . 5 . HN 1 1 41 1 1 1 1 4 LYS H . 4 . HN 1 1 41 1 2 1 1 18 TYR QE . 18 . HE# 1 1 42 1 1 1 1 4 LYS HA . 4 . HA 1 1 42 1 2 1 1 4 LYS HB2 . 4 . HB2 1 1 43 1 1 1 1 4 LYS HA . 4 . HA 1 1 43 1 2 1 1 4 LYS HG2 . 4 . HG2 1 1 44 1 1 1 1 4 LYS HA . 4 . HA 1 1 44 1 2 1 1 5 ARG H . 5 . HN 1 1 45 1 1 1 1 4 LYS HA . 4 . HA 1 1 45 1 2 1 1 6 ALA H . 6 . HN 1 1 46 1 1 1 1 4 LYS HA . 4 . HA 1 1 46 1 2 1 1 18 TYR QE . 18 . HE# 1 1 47 1 1 1 1 4 LYS HA . 4 . HA 1 1 47 1 2 1 1 32 GLU HA . 32 . HA 1 1 48 1 1 1 1 4 LYS HB2 . 4 . HB2 1 1 48 1 2 1 1 5 ARG H . 5 . HN 1 1 49 1 1 1 1 4 LYS HB2 . 4 . HB2 1 1 49 1 2 1 1 18 TYR QE . 18 . HE# 1 1 50 1 1 1 1 4 LYS HB3 . 4 . HB1 1 1 50 1 2 1 1 5 ARG H . 5 . HN 1 1 51 1 1 1 1 4 LYS HB3 . 4 . HB1 1 1 51 1 2 1 1 18 TYR QE . 18 . HE# 1 1 52 1 1 1 1 4 LYS QD . 4 . HD# 1 1 52 1 2 1 1 18 TYR QE . 18 . HE# 1 1 53 1 1 1 1 4 LYS HG2 . 4 . HG2 1 1 53 1 2 1 1 5 ARG H . 5 . HN 1 1 54 1 1 1 1 4 LYS HG2 . 4 . HG2 1 1 54 1 2 1 1 18 TYR QE . 18 . HE# 1 1 55 1 1 1 1 5 ARG H . 5 . HN 1 1 55 1 2 1 1 5 ARG HA . 5 . HA 1 1 56 1 1 1 1 5 ARG H . 5 . HN 1 1 56 1 2 1 1 5 ARG HB2 . 5 . HB2 1 1 57 1 1 1 1 5 ARG H . 5 . HN 1 1 57 1 2 1 1 5 ARG HB3 . 5 . HB1 1 1 58 1 1 1 1 5 ARG H . 5 . HN 1 1 58 1 2 1 1 5 ARG HG2 . 5 . HG2 1 1 59 1 1 1 1 5 ARG H . 5 . HN 1 1 59 1 2 1 1 5 ARG HG3 . 5 . HG1 1 1 60 1 1 1 1 5 ARG H . 5 . HN 1 1 60 1 2 1 1 6 ALA H . 6 . HN 1 1 61 1 1 1 1 5 ARG H . 5 . HN 1 1 61 1 2 1 1 6 ALA MB . 6 . HB# 1 1 62 1 1 1 1 5 ARG H . 5 . HN 1 1 62 1 2 1 1 18 TYR QD . 18 . HD# 1 1 63 1 1 1 1 5 ARG H . 5 . HN 1 1 63 1 2 1 1 31 CYS H . 31 . HN 1 1 64 1 1 1 1 5 ARG H . 5 . HN 1 1 64 1 2 1 1 32 GLU HA . 32 . HA 1 1 65 1 1 1 1 5 ARG HA . 5 . HA 1 1 65 1 2 1 1 5 ARG HB3 . 5 . HB1 1 1 66 1 1 1 1 5 ARG HA . 5 . HA 1 1 66 1 2 1 1 5 ARG QD . 5 . HD# 1 1 67 1 1 1 1 5 ARG HA . 5 . HA 1 1 67 1 2 1 1 5 ARG HG2 . 5 . HG2 1 1 68 1 1 1 1 5 ARG HA . 5 . HA 1 1 68 1 2 1 1 5 ARG HG3 . 5 . HG1 1 1 69 1 1 1 1 5 ARG HA . 5 . HA 1 1 69 1 2 1 1 6 ALA H . 6 . HN 1 1 70 1 1 1 1 5 ARG HB2 . 5 . HB2 1 1 70 1 2 1 1 5 ARG HE . 5 . HE 1 1 71 1 1 1 1 5 ARG HB2 . 5 . HB2 1 1 71 1 2 1 1 6 ALA H . 6 . HN 1 1 72 1 1 1 1 5 ARG HB3 . 5 . HB1 1 1 72 1 2 1 1 5 ARG HE . 5 . HE 1 1 73 1 1 1 1 5 ARG HB3 . 5 . HB1 1 1 73 1 2 1 1 6 ALA H . 6 . HN 1 1 74 1 1 1 1 6 ALA H . 6 . HN 1 1 74 1 2 1 1 6 ALA MB . 6 . HB# 1 1 75 1 1 1 1 6 ALA H . 6 . HN 1 1 75 1 2 1 1 30 SER HB2 . 30 . HB2 1 1 76 1 1 1 1 6 ALA H . 6 . HN 1 1 76 1 2 1 1 30 SER HB3 . 30 . HB1 1 1 77 1 1 1 1 6 ALA H . 6 . HN 1 1 77 1 2 1 1 31 CYS H . 31 . HN 1 1 78 1 1 1 1 6 ALA H . 6 . HN 1 1 78 1 2 1 1 31 CYS HB2 . 31 . HB2 1 1 79 1 1 1 1 6 ALA H . 6 . HN 1 1 79 1 2 1 1 31 CYS HB3 . 31 . HB1 1 1 80 1 1 1 1 6 ALA HA . 6 . HA 1 1 80 1 2 1 1 7 TRP H . 7 . HN 1 1 81 1 1 1 1 6 ALA MB . 6 . HB# 1 1 81 1 2 1 1 7 TRP H . 7 . HN 1 1 82 1 1 1 1 6 ALA MB . 6 . HB# 1 1 82 1 2 1 1 7 TRP QB . 7 . HB# 1 1 83 1 1 1 1 6 ALA MB . 6 . HB# 1 1 83 1 2 1 1 31 CYS H . 31 . HN 1 1 84 1 1 1 1 6 ALA MB . 6 . HB# 1 1 84 1 2 1 1 31 CYS HB2 . 31 . HB2 1 1 85 1 1 1 1 6 ALA MB . 6 . HB# 1 1 85 1 2 1 1 31 CYS HB3 . 31 . HB1 1 1 86 1 1 1 1 7 TRP H . 7 . HN 1 1 86 1 2 1 1 7 TRP HA . 7 . HA 1 1 87 1 1 1 1 7 TRP H . 7 . HN 1 1 87 1 2 1 1 7 TRP QB . 7 . HB# 1 1 88 1 1 1 1 7 TRP H . 7 . HN 1 1 88 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1 89 1 1 1 1 7 TRP H . 7 . HN 1 1 89 1 2 1 1 8 CYS H . 8 . HN 1 1 90 1 1 1 1 7 TRP HA . 7 . HA 1 1 90 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1 91 1 1 1 1 7 TRP HA . 7 . HA 1 1 91 1 2 1 1 8 CYS H . 8 . HN 1 1 92 1 1 1 1 7 TRP HA . 7 . HA 1 1 92 1 2 1 1 29 SER HB2 . 29 . HB2 1 1 93 1 1 1 1 7 TRP HA . 7 . HA 1 1 93 1 2 1 1 29 SER HB3 . 29 . HB1 1 1 94 1 1 1 1 7 TRP HA . 7 . HA 1 1 94 1 2 1 1 31 CYS H . 31 . HN 1 1 95 1 1 1 1 7 TRP QB . 7 . HB# 1 1 95 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1 96 1 1 1 1 7 TRP HD1 . 7 . HD1 1 1 96 1 2 1 1 28 GLN HB2 . 28 . HB2 1 1 97 1 1 1 1 7 TRP HD1 . 7 . HD1 1 1 97 1 2 1 1 28 GLN HB3 . 28 . HB1 1 1 98 1 1 1 1 7 TRP HD1 . 7 . HD1 1 1 98 1 2 1 1 28 GLN QG . 28 . HG# 1 1 99 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1 99 1 2 1 1 8 CYS H . 8 . HN 1 1 100 1 1 1 1 7 TRP HZ2 . 7 . HZ2 1 1 100 1 2 1 1 9 LYS HB2 . 9 . HB2 1 1 101 1 1 1 1 7 TRP HZ2 . 7 . HZ2 1 1 101 1 2 1 1 9 LYS HB3 . 9 . HB1 1 1 102 1 1 1 1 7 TRP HZ2 . 7 . HZ2 1 1 102 1 2 1 1 9 LYS QG . 9 . HG# 1 1 103 1 1 1 1 8 CYS H . 8 . HN 1 1 103 1 2 1 1 8 CYS HB2 . 8 . HB2 1 1 104 1 1 1 1 8 CYS H . 8 . HN 1 1 104 1 2 1 1 8 CYS HB3 . 8 . HB1 1 1 105 1 1 1 1 8 CYS H . 8 . HN 1 1 105 1 2 1 1 9 LYS H . 9 . HN 1 1 106 1 1 1 1 8 CYS H . 8 . HN 1 1 106 1 2 1 1 29 SER HA . 29 . HA 1 1 107 1 1 1 1 8 CYS H . 8 . HN 1 1 107 1 2 1 1 29 SER HB3 . 29 . HB1 1 1 108 1 1 1 1 8 CYS H . 8 . HN 1 1 108 1 2 1 1 30 SER HA . 30 . HA 1 1 109 1 1 1 1 8 CYS H . 8 . HN 1 1 109 1 2 1 1 31 CYS H . 31 . HN 1 1 110 1 1 1 1 8 CYS HA . 8 . HA 1 1 110 1 2 1 1 8 CYS HB2 . 8 . HB2 1 1 111 1 1 1 1 8 CYS HA . 8 . HA 1 1 111 1 2 1 1 8 CYS HB3 . 8 . HB1 1 1 112 1 1 1 1 8 CYS HA . 8 . HA 1 1 112 1 2 1 1 9 LYS H . 9 . HN 1 1 113 1 1 1 1 8 CYS HA . 8 . HA 1 1 113 1 2 1 1 13 ASP HB2 . 13 . HB2 1 1 114 1 1 1 1 8 CYS HA . 8 . HA 1 1 114 1 2 1 1 13 ASP HB3 . 13 . HB1 1 1 115 1 1 1 1 8 CYS HA . 8 . HA 1 1 115 1 2 1 1 15 CYS H . 15 . HN 1 1 116 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1 116 1 2 1 1 9 LYS H . 9 . HN 1 1 117 1 1 1 1 8 CYS HB2 . 8 . HB2 1 1 117 1 2 1 1 10 GLU H . 10 . HN 1 1 118 1 1 1 1 8 CYS HB3 . 8 . HB1 1 1 118 1 2 1 1 9 LYS H . 9 . HN 1 1 119 1 1 1 1 9 LYS H . 9 . HN 1 1 119 1 2 1 1 9 LYS HB2 . 9 . HB2 1 1 120 1 1 1 1 9 LYS H . 9 . HN 1 1 120 1 2 1 1 9 LYS HB3 . 9 . HB1 1 1 121 1 1 1 1 9 LYS H . 9 . HN 1 1 121 1 2 1 1 9 LYS QG . 9 . HG# 1 1 122 1 1 1 1 9 LYS H . 9 . HN 1 1 122 1 2 1 1 10 GLU H . 10 . HN 1 1 123 1 1 1 1 9 LYS H . 9 . HN 1 1 123 1 2 1 1 13 ASP H . 13 . HN 1 1 124 1 1 1 1 9 LYS H . 9 . HN 1 1 124 1 2 1 1 13 ASP HB2 . 13 . HB2 1 1 125 1 1 1 1 9 LYS H . 9 . HN 1 1 125 1 2 1 1 13 ASP HB3 . 13 . HB1 1 1 126 1 1 1 1 9 LYS HA . 9 . HA 1 1 126 1 2 1 1 10 GLU H . 10 . HN 1 1 127 1 1 1 1 9 LYS HB2 . 9 . HB2 1 1 127 1 2 1 1 10 GLU H . 10 . HN 1 1 128 1 1 1 1 9 LYS HB3 . 9 . HB1 1 1 128 1 2 1 1 10 GLU H . 10 . HN 1 1 129 1 1 1 1 9 LYS QG . 9 . HG# 1 1 129 1 2 1 1 10 GLU QG . 10 . HG# 1 1 130 1 1 1 1 10 GLU H . 10 . HN 1 1 130 1 2 1 1 10 GLU HB2 . 10 . HB2 1 1 131 1 1 1 1 10 GLU H . 10 . HN 1 1 131 1 2 1 1 10 GLU HB3 . 10 . HB1 1 1 132 1 1 1 1 10 GLU H . 10 . HN 1 1 132 1 2 1 1 10 GLU QG . 10 . HG# 1 1 133 1 1 1 1 10 GLU H . 10 . HN 1 1 133 1 2 1 1 11 LYS H . 11 . HN 1 1 134 1 1 1 1 10 GLU H . 10 . HN 1 1 134 1 2 1 1 13 ASP HB2 . 13 . HB2 1 1 135 1 1 1 1 10 GLU H . 10 . HN 1 1 135 1 2 1 1 13 ASP HB3 . 13 . HB1 1 1 136 1 1 1 1 10 GLU HA . 10 . HA 1 1 136 1 2 1 1 10 GLU HB2 . 10 . HB2 1 1 137 1 1 1 1 10 GLU HA . 10 . HA 1 1 137 1 2 1 1 11 LYS H . 11 . HN 1 1 138 1 1 1 1 10 GLU HA . 10 . HA 1 1 138 1 2 1 1 20 CYS HB2 . 20 . HB2 1 1 139 1 1 1 1 10 GLU HA . 10 . HA 1 1 139 1 2 1 1 20 CYS HB3 . 20 . HB1 1 1 140 1 1 1 1 10 GLU HB2 . 10 . HB2 1 1 140 1 2 1 1 11 LYS H . 11 . HN 1 1 141 1 1 1 1 10 GLU HB2 . 10 . HB2 1 1 141 1 2 1 1 12 LYS H . 12 . HN 1 1 142 1 1 1 1 10 GLU HB2 . 10 . HB2 1 1 142 1 2 1 1 13 ASP H . 13 . HN 1 1 143 1 1 1 1 10 GLU HB3 . 10 . HB1 1 1 143 1 2 1 1 11 LYS H . 11 . HN 1 1 144 1 1 1 1 10 GLU HB3 . 10 . HB1 1 1 144 1 2 1 1 13 ASP H . 13 . HN 1 1 145 1 1 1 1 10 GLU QG . 10 . HG# 1 1 145 1 2 1 1 12 LYS H . 12 . HN 1 1 146 1 1 1 1 10 GLU QG . 10 . HG# 1 1 146 1 2 1 1 13 ASP H . 13 . HN 1 1 147 1 1 1 1 11 LYS H . 11 . HN 1 1 147 1 2 1 1 11 LYS HB2 . 11 . HB2 1 1 148 1 1 1 1 11 LYS H . 11 . HN 1 1 148 1 2 1 1 11 LYS HB3 . 11 . HB1 1 1 149 1 1 1 1 11 LYS H . 11 . HN 1 1 149 1 2 1 1 12 LYS H . 12 . HN 1 1 150 1 1 1 1 11 LYS H . 11 . HN 1 1 150 1 2 1 1 13 ASP H . 13 . HN 1 1 151 1 1 1 1 11 LYS HA . 11 . HA 1 1 151 1 2 1 1 11 LYS HB2 . 11 . HB2 1 1 152 1 1 1 1 11 LYS HA . 11 . HA 1 1 152 1 2 1 1 13 ASP H . 13 . HN 1 1 153 1 1 1 1 11 LYS HA . 11 . HA 1 1 153 1 2 1 1 19 ASN HA . 19 . HA 1 1 154 1 1 1 1 11 LYS HA . 11 . HA 1 1 154 1 2 1 1 20 CYS H . 20 . HN 1 1 155 1 1 1 1 11 LYS HA . 11 . HA 1 1 155 1 2 1 1 20 CYS HA . 20 . HA 1 1 156 1 1 1 1 11 LYS HA . 11 . HA 1 1 156 1 2 1 1 20 CYS HB2 . 20 . HB2 1 1 157 1 1 1 1 11 LYS HA . 11 . HA 1 1 157 1 2 1 1 20 CYS HB3 . 20 . HB1 1 1 158 1 1 1 1 11 LYS HB2 . 11 . HB2 1 1 158 1 2 1 1 12 LYS H . 12 . HN 1 1 159 1 1 1 1 11 LYS HB2 . 11 . HB2 1 1 159 1 2 1 1 20 CYS H . 20 . HN 1 1 160 1 1 1 1 12 LYS H . 12 . HN 1 1 160 1 2 1 1 12 LYS HA . 12 . HA 1 1 161 1 1 1 1 12 LYS H . 12 . HN 1 1 161 1 2 1 1 12 LYS HB2 . 12 . HB2 1 1 162 1 1 1 1 12 LYS H . 12 . HN 1 1 162 1 2 1 1 12 LYS HB3 . 12 . HB1 1 1 163 1 1 1 1 12 LYS H . 12 . HN 1 1 163 1 2 1 1 13 ASP H . 13 . HN 1 1 164 1 1 1 1 12 LYS HA . 12 . HA 1 1 164 1 2 1 1 12 LYS HB2 . 12 . HB2 1 1 165 1 1 1 1 12 LYS HA . 12 . HA 1 1 165 1 2 1 1 12 LYS HB3 . 12 . HB1 1 1 166 1 1 1 1 12 LYS HA . 12 . HA 1 1 166 1 2 1 1 13 ASP H . 13 . HN 1 1 167 1 1 1 1 12 LYS HB2 . 12 . HB2 1 1 167 1 2 1 1 13 ASP H . 13 . HN 1 1 168 1 1 1 1 12 LYS HB3 . 12 . HB1 1 1 168 1 2 1 1 13 ASP H . 13 . HN 1 1 169 1 1 1 1 13 ASP H . 13 . HN 1 1 169 1 2 1 1 13 ASP HB2 . 13 . HB2 1 1 170 1 1 1 1 13 ASP H . 13 . HN 1 1 170 1 2 1 1 13 ASP HB3 . 13 . HB1 1 1 171 1 1 1 1 13 ASP H . 13 . HN 1 1 171 1 2 1 1 14 CYS H . 14 . HN 1 1 172 1 1 1 1 13 ASP HA . 13 . HA 1 1 172 1 2 1 1 14 CYS H . 14 . HN 1 1 173 1 1 1 1 13 ASP HB2 . 13 . HB2 1 1 173 1 2 1 1 14 CYS H . 14 . HN 1 1 174 1 1 1 1 13 ASP HB3 . 13 . HB1 1 1 174 1 2 1 1 14 CYS H . 14 . HN 1 1 175 1 1 1 1 13 ASP HB3 . 13 . HB1 1 1 175 1 2 1 1 14 CYS HA . 14 . HA 1 1 176 1 1 1 1 14 CYS H . 14 . HN 1 1 176 1 2 1 1 14 CYS HB2 . 14 . HB2 1 1 177 1 1 1 1 14 CYS H . 14 . HN 1 1 177 1 2 1 1 14 CYS HB3 . 14 . HB1 1 1 178 1 1 1 1 14 CYS H . 14 . HN 1 1 178 1 2 1 1 15 CYS H . 15 . HN 1 1 179 1 1 1 1 14 CYS HA . 14 . HA 1 1 179 1 2 1 1 15 CYS H . 15 . HN 1 1 180 1 1 1 1 14 CYS HB2 . 14 . HB2 1 1 180 1 2 1 1 15 CYS H . 15 . HN 1 1 181 1 1 1 1 14 CYS HB2 . 14 . HB2 1 1 181 1 2 1 1 18 TYR H . 18 . HN 1 1 182 1 1 1 1 14 CYS HB2 . 14 . HB2 1 1 182 1 2 1 1 18 TYR HB3 . 18 . HB1 1 1 183 1 1 1 1 14 CYS HB2 . 14 . HB2 1 1 183 1 2 1 1 18 TYR QD . 18 . HD# 1 1 184 1 1 1 1 14 CYS HB2 . 14 . HB2 1 1 184 1 2 1 1 31 CYS HB3 . 31 . HB1 1 1 185 1 1 1 1 14 CYS HB3 . 14 . HB1 1 1 185 1 2 1 1 15 CYS H . 15 . HN 1 1 186 1 1 1 1 14 CYS HB3 . 14 . HB1 1 1 186 1 2 1 1 18 TYR H . 18 . HN 1 1 187 1 1 1 1 14 CYS HB3 . 14 . HB1 1 1 187 1 2 1 1 18 TYR HB2 . 18 . HB2 1 1 188 1 1 1 1 15 CYS H . 15 . HN 1 1 188 1 2 1 1 15 CYS HB2 . 15 . HB1 1 1 189 1 1 1 1 15 CYS H . 15 . HN 1 1 189 1 2 1 1 15 CYS HB3 . 15 . HB2 1 1 190 1 1 1 1 15 CYS H . 15 . HN 1 1 190 1 2 1 1 16 CYS H . 16 . HN 1 1 191 1 1 1 1 15 CYS H . 15 . HN 1 1 191 1 2 1 1 18 TYR HB2 . 18 . HB2 1 1 192 1 1 1 1 15 CYS H . 15 . HN 1 1 192 1 2 1 1 18 TYR HB3 . 18 . HB1 1 1 193 1 1 1 1 15 CYS H . 15 . HN 1 1 193 1 2 1 1 18 TYR QD . 18 . HD# 1 1 194 1 1 1 1 15 CYS HA . 15 . HA 1 1 194 1 2 1 1 15 CYS HB2 . 15 . HB1 1 1 195 1 1 1 1 15 CYS HA . 15 . HA 1 1 195 1 2 1 1 15 CYS HB3 . 15 . HB2 1 1 196 1 1 1 1 15 CYS HA . 15 . HA 1 1 196 1 2 1 1 16 CYS H . 16 . HN 1 1 197 1 1 1 1 15 CYS HB2 . 15 . HB1 1 1 197 1 2 1 1 16 CYS H . 16 . HN 1 1 198 1 1 1 1 15 CYS HB2 . 15 . HB1 1 1 198 1 2 1 1 18 TYR QD . 18 . HD# 1 1 199 1 1 1 1 15 CYS HB2 . 15 . HB1 1 1 199 1 2 1 1 18 TYR QE . 18 . HE# 1 1 200 1 1 1 1 15 CYS HB3 . 15 . HB2 1 1 200 1 2 1 1 16 CYS H . 16 . HN 1 1 201 1 1 1 1 15 CYS HB3 . 15 . HB2 1 1 201 1 2 1 1 18 TYR QD . 18 . HD# 1 1 202 1 1 1 1 15 CYS HB3 . 15 . HB2 1 1 202 1 2 1 1 18 TYR QE . 18 . HE# 1 1 203 1 1 1 1 16 CYS H . 16 . HN 1 1 203 1 2 1 1 16 CYS HB2 . 16 . HB2 1 1 204 1 1 1 1 16 CYS H . 16 . HN 1 1 204 1 2 1 1 16 CYS HB3 . 16 . HB1 1 1 205 1 1 1 1 16 CYS H . 16 . HN 1 1 205 1 2 1 1 17 GLY H . 17 . HN 1 1 206 1 1 1 1 16 CYS H . 16 . HN 1 1 206 1 2 1 1 18 TYR QD . 18 . HD# 1 1 207 1 1 1 1 16 CYS HA . 16 . HA 1 1 207 1 2 1 1 17 GLY H . 17 . HN 1 1 208 1 1 1 1 16 CYS HA . 16 . HA 1 1 208 1 2 1 1 18 TYR H . 18 . HN 1 1 209 1 1 1 1 16 CYS HA . 16 . HA 1 1 209 1 2 1 1 43 CYS HB2 . 43 . HB2 1 1 210 1 1 1 1 16 CYS HB2 . 16 . HB2 1 1 210 1 2 1 1 17 GLY H . 17 . HN 1 1 211 1 1 1 1 16 CYS HB3 . 16 . HB1 1 1 211 1 2 1 1 17 GLY H . 17 . HN 1 1 212 1 1 1 1 16 CYS HB3 . 16 . HB1 1 1 212 1 2 1 1 43 CYS HB2 . 43 . HB2 1 1 213 1 1 1 1 17 GLY H . 17 . HN 1 1 213 1 2 1 1 17 GLY HA3 . 17 . HA1 1 1 214 1 1 1 1 17 GLY H . 17 . HN 1 1 214 1 2 1 1 18 TYR H . 18 . HN 1 1 215 1 1 1 1 17 GLY H . 17 . HN 1 1 215 1 2 1 1 43 CYS HA . 43 . HA 1 1 216 1 1 1 1 17 GLY H . 17 . HN 1 1 216 1 2 1 1 43 CYS HB2 . 43 . HB2 1 1 217 1 1 1 1 17 GLY H . 17 . HN 1 1 217 1 2 1 1 43 CYS HB3 . 43 . HB1 1 1 218 1 1 1 1 17 GLY HA2 . 17 . HA2 1 1 218 1 2 1 1 18 TYR H . 18 . HN 1 1 219 1 1 1 1 17 GLY HA2 . 17 . HA2 1 1 219 1 2 1 1 18 TYR QD . 18 . HD# 1 1 220 1 1 1 1 17 GLY HA3 . 17 . HA1 1 1 220 1 2 1 1 18 TYR H . 18 . HN 1 1 221 1 1 1 1 17 GLY HA3 . 17 . HA1 1 1 221 1 2 1 1 18 TYR QD . 18 . HD# 1 1 222 1 1 1 1 18 TYR H . 18 . HN 1 1 222 1 2 1 1 18 TYR HB2 . 18 . HB2 1 1 223 1 1 1 1 18 TYR H . 18 . HN 1 1 223 1 2 1 1 18 TYR HB3 . 18 . HB1 1 1 224 1 1 1 1 18 TYR H . 18 . HN 1 1 224 1 2 1 1 18 TYR QD . 18 . HD# 1 1 225 1 1 1 1 18 TYR H . 18 . HN 1 1 225 1 2 1 1 19 ASN H . 19 . HN 1 1 226 1 1 1 1 18 TYR H . 18 . HN 1 1 226 1 2 1 1 31 CYS HB3 . 31 . HB1 1 1 227 1 1 1 1 18 TYR H . 18 . HN 1 1 227 1 2 1 1 43 CYS HB3 . 43 . HB1 1 1 228 1 1 1 1 18 TYR HA . 18 . HA 1 1 228 1 2 1 1 19 ASN H . 19 . HN 1 1 229 1 1 1 1 18 TYR HA . 18 . HA 1 1 229 1 2 1 1 32 GLU H . 32 . HN 1 1 230 1 1 1 1 18 TYR HA . 18 . HA 1 1 230 1 2 1 1 33 ARG HA . 33 . HA 1 1 231 1 1 1 1 18 TYR HB2 . 18 . HB2 1 1 231 1 2 1 1 19 ASN H . 19 . HN 1 1 232 1 1 1 1 18 TYR HB2 . 18 . HB2 1 1 232 1 2 1 1 31 CYS HB3 . 31 . HB1 1 1 233 1 1 1 1 18 TYR HB2 . 18 . HB2 1 1 233 1 2 1 1 32 GLU H . 32 . HN 1 1 234 1 1 1 1 18 TYR HB3 . 18 . HB1 1 1 234 1 2 1 1 19 ASN H . 19 . HN 1 1 235 1 1 1 1 18 TYR HB3 . 18 . HB1 1 1 235 1 2 1 1 31 CYS HA . 31 . HA 1 1 236 1 1 1 1 18 TYR QD . 18 . HD# 1 1 236 1 2 1 1 19 ASN H . 19 . HN 1 1 237 1 1 1 1 18 TYR QD . 18 . HD# 1 1 237 1 2 1 1 31 CYS HB2 . 31 . HB2 1 1 238 1 1 1 1 18 TYR QD . 18 . HD# 1 1 238 1 2 1 1 31 CYS HB3 . 31 . HB1 1 1 239 1 1 1 1 18 TYR QD . 18 . HD# 1 1 239 1 2 1 1 32 GLU H . 32 . HN 1 1 240 1 1 1 1 18 TYR QD . 18 . HD# 1 1 240 1 2 1 1 32 GLU HA . 32 . HA 1 1 241 1 1 1 1 18 TYR QD . 18 . HD# 1 1 241 1 2 1 1 33 ARG H . 33 . HN 1 1 242 1 1 1 1 18 TYR QD . 18 . HD# 1 1 242 1 2 1 1 33 ARG HA . 33 . HA 1 1 243 1 1 1 1 18 TYR QD . 18 . HD# 1 1 243 1 2 1 1 33 ARG HB2 . 33 . HB2 1 1 244 1 1 1 1 18 TYR QD . 18 . HD# 1 1 244 1 2 1 1 33 ARG HB3 . 33 . HB1 1 1 245 1 1 1 1 18 TYR QE . 18 . HE# 1 1 245 1 2 1 1 32 GLU HA . 32 . HA 1 1 246 1 1 1 1 18 TYR QE . 18 . HE# 1 1 246 1 2 1 1 33 ARG H . 33 . HN 1 1 247 1 1 1 1 18 TYR QE . 18 . HE# 1 1 247 1 2 1 1 33 ARG HB2 . 33 . HB2 1 1 248 1 1 1 1 18 TYR QE . 18 . HE# 1 1 248 1 2 1 1 33 ARG HB3 . 33 . HB1 1 1 249 1 1 1 1 19 ASN H . 19 . HN 1 1 249 1 2 1 1 19 ASN HB2 . 19 . HB2 1 1 250 1 1 1 1 19 ASN H . 19 . HN 1 1 250 1 2 1 1 19 ASN HB3 . 19 . HB1 1 1 251 1 1 1 1 19 ASN H . 19 . HN 1 1 251 1 2 1 1 20 CYS H . 20 . HN 1 1 252 1 1 1 1 19 ASN H . 19 . HN 1 1 252 1 2 1 1 32 GLU H . 32 . HN 1 1 253 1 1 1 1 19 ASN H . 19 . HN 1 1 253 1 2 1 1 34 LYS QG . 34 . HG# 1 1 254 1 1 1 1 19 ASN HA . 19 . HA 1 1 254 1 2 1 1 19 ASN HB2 . 19 . HB2 1 1 255 1 1 1 1 19 ASN HA . 19 . HA 1 1 255 1 2 1 1 20 CYS H . 20 . HN 1 1 256 1 1 1 1 19 ASN HB2 . 19 . HB2 1 1 256 1 2 1 1 19 ASN HD22 . 19 . HD22 1 1 257 1 1 1 1 19 ASN HB2 . 19 . HB2 1 1 257 1 2 1 1 21 VAL QG . 21 . HG# 1 1 258 1 1 1 1 19 ASN HB2 . 19 . HB2 1 1 258 1 2 1 1 34 LYS QG . 34 . HG# 1 1 259 1 1 1 1 19 ASN HB3 . 19 . HB1 1 1 259 1 2 1 1 19 ASN HD22 . 19 . HD22 1 1 260 1 1 1 1 19 ASN HB3 . 19 . HB1 1 1 260 1 2 1 1 20 CYS H . 20 . HN 1 1 261 1 1 1 1 19 ASN HB3 . 19 . HB1 1 1 261 1 2 1 1 21 VAL QG . 21 . HG# 1 1 262 1 1 1 1 19 ASN HB3 . 19 . HB1 1 1 262 1 2 1 1 34 LYS QG . 34 . HG# 1 1 263 1 1 1 1 19 ASN HD21 . 19 . HD21 1 1 263 1 2 1 1 21 VAL HA . 21 . HA 1 1 264 1 1 1 1 19 ASN HD21 . 19 . HD21 1 1 264 1 2 1 1 21 VAL QG . 21 . HG# 1 1 265 1 1 1 1 19 ASN HD21 . 19 . HD21 1 1 265 1 2 1 1 34 LYS QD . 34 . HD# 1 1 266 1 1 1 1 19 ASN HD21 . 19 . HD21 1 1 266 1 2 1 1 34 LYS QG . 34 . HG# 1 1 267 1 1 1 1 19 ASN HD22 . 19 . HD22 1 1 267 1 2 1 1 21 VAL QG . 21 . HG# 1 1 268 1 1 1 1 19 ASN HD22 . 19 . HD22 1 1 268 1 2 1 1 34 LYS QG . 34 . HG# 1 1 269 1 1 1 1 20 CYS H . 20 . HN 1 1 269 1 2 1 1 20 CYS HB2 . 20 . HB2 1 1 270 1 1 1 1 20 CYS H . 20 . HN 1 1 270 1 2 1 1 20 CYS HB3 . 20 . HB1 1 1 271 1 1 1 1 20 CYS H . 20 . HN 1 1 271 1 2 1 1 21 VAL H . 21 . HN 1 1 272 1 1 1 1 20 CYS H . 20 . HN 1 1 272 1 2 1 1 21 VAL QG . 21 . HG# 1 1 273 1 1 1 1 20 CYS HA . 20 . HA 1 1 273 1 2 1 1 20 CYS HB3 . 20 . HB1 1 1 274 1 1 1 1 20 CYS HA . 20 . HA 1 1 274 1 2 1 1 21 VAL H . 21 . HN 1 1 275 1 1 1 1 20 CYS HA . 20 . HA 1 1 275 1 2 1 1 21 VAL HB . 21 . HB 1 1 276 1 1 1 1 20 CYS HA . 20 . HA 1 1 276 1 2 1 1 21 VAL QG . 21 . HG# 1 1 277 1 1 1 1 20 CYS HA . 20 . HA 1 1 277 1 2 1 1 30 SER H . 30 . HN 1 1 278 1 1 1 1 20 CYS HA . 20 . HA 1 1 278 1 2 1 1 31 CYS HA . 31 . HA 1 1 279 1 1 1 1 20 CYS HA . 20 . HA 1 1 279 1 2 1 1 31 CYS HB2 . 31 . HB2 1 1 280 1 1 1 1 20 CYS HA . 20 . HA 1 1 280 1 2 1 1 31 CYS HB3 . 31 . HB1 1 1 281 1 1 1 1 20 CYS HA . 20 . HA 1 1 281 1 2 1 1 32 GLU H . 32 . HN 1 1 282 1 1 1 1 20 CYS HB2 . 20 . HB2 1 1 282 1 2 1 1 21 VAL H . 21 . HN 1 1 283 1 1 1 1 20 CYS HB3 . 20 . HB1 1 1 283 1 2 1 1 21 VAL H . 21 . HN 1 1 284 1 1 1 1 21 VAL H . 21 . HN 1 1 284 1 2 1 1 21 VAL HB . 21 . HB 1 1 285 1 1 1 1 21 VAL H . 21 . HN 1 1 285 1 2 1 1 21 VAL QG . 21 . HG# 1 1 286 1 1 1 1 21 VAL H . 21 . HN 1 1 286 1 2 1 1 30 SER H . 30 . HN 1 1 287 1 1 1 1 21 VAL H . 21 . HN 1 1 287 1 2 1 1 31 CYS HA . 31 . HA 1 1 288 1 1 1 1 21 VAL HA . 21 . HA 1 1 288 1 2 1 1 22 TYR H . 22 . HN 1 1 289 1 1 1 1 21 VAL HA . 21 . HA 1 1 289 1 2 1 1 22 TYR HB3 . 22 . HB1 1 1 290 1 1 1 1 21 VAL HB . 21 . HB 1 1 290 1 2 1 1 22 TYR H . 22 . HN 1 1 291 1 1 1 1 21 VAL HB . 21 . HB 1 1 291 1 2 1 1 30 SER H . 30 . HN 1 1 292 1 1 1 1 21 VAL QG . 21 . HG# 1 1 292 1 2 1 1 22 TYR H . 22 . HN 1 1 293 1 1 1 1 21 VAL QG . 21 . HG# 1 1 293 1 2 1 1 22 TYR HB2 . 22 . HB2 1 1 294 1 1 1 1 21 VAL QG . 21 . HG# 1 1 294 1 2 1 1 22 TYR HB3 . 22 . HB1 1 1 295 1 1 1 1 21 VAL QG . 21 . HG# 1 1 295 1 2 1 1 30 SER H . 30 . HN 1 1 296 1 1 1 1 21 VAL QG . 21 . HG# 1 1 296 1 2 1 1 32 GLU H . 32 . HN 1 1 297 1 1 1 1 21 VAL QG . 21 . HG# 1 1 297 1 2 1 1 32 GLU QB . 32 . HB# 1 1 298 1 1 1 1 21 VAL QG . 21 . HG# 1 1 298 1 2 1 1 32 GLU HG2 . 32 . HG2 1 1 299 1 1 1 1 21 VAL QG . 21 . HG# 1 1 299 1 2 1 1 32 GLU HG3 . 32 . HG1 1 1 300 1 1 1 1 22 TYR H . 22 . HN 1 1 300 1 2 1 1 22 TYR HB2 . 22 . HB2 1 1 301 1 1 1 1 22 TYR H . 22 . HN 1 1 301 1 2 1 1 22 TYR HB3 . 22 . HB1 1 1 302 1 1 1 1 22 TYR H . 22 . HN 1 1 302 1 2 1 1 22 TYR QD . 22 . HD# 1 1 303 1 1 1 1 22 TYR H . 22 . HN 1 1 303 1 2 1 1 23 ALA H . 23 . HN 1 1 304 1 1 1 1 22 TYR H . 22 . HN 1 1 304 1 2 1 1 29 SER HA . 29 . HA 1 1 305 1 1 1 1 22 TYR HA . 22 . HA 1 1 305 1 2 1 1 22 TYR QD . 22 . HD# 1 1 306 1 1 1 1 22 TYR HA . 22 . HA 1 1 306 1 2 1 1 23 ALA H . 23 . HN 1 1 307 1 1 1 1 22 TYR HA . 22 . HA 1 1 307 1 2 1 1 29 SER HA . 29 . HA 1 1 308 1 1 1 1 22 TYR HA . 22 . HA 1 1 308 1 2 1 1 30 SER H . 30 . HN 1 1 309 1 1 1 1 22 TYR HB2 . 22 . HB2 1 1 309 1 2 1 1 22 TYR QD . 22 . HD# 1 1 310 1 1 1 1 22 TYR HB2 . 22 . HB2 1 1 310 1 2 1 1 22 TYR QE . 22 . HE# 1 1 311 1 1 1 1 22 TYR HB2 . 22 . HB2 1 1 311 1 2 1 1 23 ALA H . 23 . HN 1 1 312 1 1 1 1 22 TYR HB3 . 22 . HB1 1 1 312 1 2 1 1 22 TYR QD . 22 . HD# 1 1 313 1 1 1 1 22 TYR HB3 . 22 . HB1 1 1 313 1 2 1 1 22 TYR QE . 22 . HE# 1 1 314 1 1 1 1 22 TYR HB3 . 22 . HB1 1 1 314 1 2 1 1 23 ALA H . 23 . HN 1 1 315 1 1 1 1 22 TYR QD . 22 . HD# 1 1 315 1 2 1 1 23 ALA H . 23 . HN 1 1 316 1 1 1 1 22 TYR QD . 22 . HD# 1 1 316 1 2 1 1 23 ALA HA . 23 . HA 1 1 317 1 1 1 1 22 TYR QD . 22 . HD# 1 1 317 1 2 1 1 24 TRP H . 24 . HN 1 1 318 1 1 1 1 22 TYR QD . 22 . HD# 1 1 318 1 2 1 1 24 TRP HA . 24 . HA 1 1 319 1 1 1 1 22 TYR QD . 22 . HD# 1 1 319 1 2 1 1 27 GLN HA . 27 . HA 1 1 320 1 1 1 1 22 TYR QD . 22 . HD# 1 1 320 1 2 1 1 29 SER HA . 29 . HA 1 1 321 1 1 1 1 22 TYR QD . 22 . HD# 1 1 321 1 2 1 1 29 SER HB3 . 29 . HB1 1 1 322 1 1 1 1 22 TYR QE . 22 . HE# 1 1 322 1 2 1 1 24 TRP H . 24 . HN 1 1 323 1 1 1 1 22 TYR QE . 22 . HE# 1 1 323 1 2 1 1 27 GLN H . 27 . HN 1 1 324 1 1 1 1 23 ALA H . 23 . HN 1 1 324 1 2 1 1 23 ALA HA . 23 . HA 1 1 325 1 1 1 1 23 ALA H . 23 . HN 1 1 325 1 2 1 1 23 ALA MB . 23 . HB# 1 1 326 1 1 1 1 23 ALA H . 23 . HN 1 1 326 1 2 1 1 28 GLN H . 28 . HN 1 1 327 1 1 1 1 23 ALA H . 23 . HN 1 1 327 1 2 1 1 29 SER HA . 29 . HA 1 1 328 1 1 1 1 23 ALA H . 23 . HN 1 1 328 1 2 1 1 30 SER H . 30 . HN 1 1 329 1 1 1 1 23 ALA HA . 23 . HA 1 1 329 1 2 1 1 24 TRP H . 24 . HN 1 1 330 1 1 1 1 23 ALA HA . 23 . HA 1 1 330 1 2 1 1 24 TRP HD1 . 24 . HD1 1 1 331 1 1 1 1 23 ALA MB . 23 . HB# 1 1 331 1 2 1 1 24 TRP H . 24 . HN 1 1 332 1 1 1 1 23 ALA MB . 23 . HB# 1 1 332 1 2 1 1 24 TRP HD1 . 24 . HD1 1 1 333 1 1 1 1 23 ALA MB . 23 . HB# 1 1 333 1 2 1 1 25 TYR H . 25 . HN 1 1 334 1 1 1 1 23 ALA MB . 23 . HB# 1 1 334 1 2 1 1 28 GLN H . 28 . HN 1 1 335 1 1 1 1 23 ALA MB . 23 . HB# 1 1 335 1 2 1 1 28 GLN HB2 . 28 . HB2 1 1 336 1 1 1 1 23 ALA MB . 23 . HB# 1 1 336 1 2 1 1 28 GLN HB3 . 28 . HB1 1 1 337 1 1 1 1 23 ALA MB . 23 . HB# 1 1 337 1 2 1 1 28 GLN QG . 28 . HG# 1 1 338 1 1 1 1 24 TRP H . 24 . HN 1 1 338 1 2 1 1 24 TRP HA . 24 . HA 1 1 339 1 1 1 1 24 TRP H . 24 . HN 1 1 339 1 2 1 1 24 TRP HB2 . 24 . HB2 1 1 340 1 1 1 1 24 TRP H . 24 . HN 1 1 340 1 2 1 1 24 TRP HB3 . 24 . HB1 1 1 341 1 1 1 1 24 TRP H . 24 . HN 1 1 341 1 2 1 1 24 TRP HD1 . 24 . HD1 1 1 342 1 1 1 1 24 TRP H . 24 . HN 1 1 342 1 2 1 1 25 TYR H . 25 . HN 1 1 343 1 1 1 1 24 TRP HA . 24 . HA 1 1 343 1 2 1 1 24 TRP HD1 . 24 . HD1 1 1 344 1 1 1 1 24 TRP HA . 24 . HA 1 1 344 1 2 1 1 25 TYR H . 25 . HN 1 1 345 1 1 1 1 24 TRP HA . 24 . HA 1 1 345 1 2 1 1 27 GLN H . 27 . HN 1 1 346 1 1 1 1 24 TRP HA . 24 . HA 1 1 346 1 2 1 1 27 GLN QE . 27 . HE2# 1 1 347 1 1 1 1 24 TRP HB2 . 24 . HB2 1 1 347 1 2 1 1 25 TYR H . 25 . HN 1 1 348 1 1 1 1 24 TRP HB2 . 24 . HB2 1 1 348 1 2 1 1 27 GLN QE . 27 . HE2# 1 1 349 1 1 1 1 24 TRP HB3 . 24 . HB1 1 1 349 1 2 1 1 25 TYR H . 25 . HN 1 1 350 1 1 1 1 24 TRP HB3 . 24 . HB1 1 1 350 1 2 1 1 27 GLN QE . 27 . HE2# 1 1 351 1 1 1 1 24 TRP HD1 . 24 . HD1 1 1 351 1 2 1 1 25 TYR QD . 25 . HD# 1 1 352 1 1 1 1 24 TRP HE1 . 24 . HE1 1 1 352 1 2 1 1 25 TYR QD . 25 . HD# 1 1 353 1 1 1 1 25 TYR H . 25 . HN 1 1 353 1 2 1 1 25 TYR HB2 . 25 . HB2 1 1 354 1 1 1 1 25 TYR H . 25 . HN 1 1 354 1 2 1 1 25 TYR HB3 . 25 . HB1 1 1 355 1 1 1 1 25 TYR H . 25 . HN 1 1 355 1 2 1 1 25 TYR QD . 25 . HD# 1 1 356 1 1 1 1 25 TYR H . 25 . HN 1 1 356 1 2 1 1 27 GLN H . 27 . HN 1 1 357 1 1 1 1 25 TYR HA . 25 . HA 1 1 357 1 2 1 1 25 TYR HB2 . 25 . HB2 1 1 358 1 1 1 1 25 TYR HA . 25 . HA 1 1 358 1 2 1 1 25 TYR QD . 25 . HD# 1 1 359 1 1 1 1 25 TYR HA . 25 . HA 1 1 359 1 2 1 1 26 ASN H . 26 . HN 1 1 360 1 1 1 1 25 TYR HA . 25 . HA 1 1 360 1 2 1 1 27 GLN H . 27 . HN 1 1 361 1 1 1 1 25 TYR HB2 . 25 . HB2 1 1 361 1 2 1 1 25 TYR QD . 25 . HD# 1 1 362 1 1 1 1 25 TYR HB2 . 25 . HB2 1 1 362 1 2 1 1 25 TYR QE . 25 . HE# 1 1 363 1 1 1 1 25 TYR HB3 . 25 . HB1 1 1 363 1 2 1 1 25 TYR QD . 25 . HD# 1 1 364 1 1 1 1 25 TYR HB3 . 25 . HB1 1 1 364 1 2 1 1 25 TYR QE . 25 . HE# 1 1 365 1 1 1 1 25 TYR HB3 . 25 . HB1 1 1 365 1 2 1 1 26 ASN H . 26 . HN 1 1 366 1 1 1 1 25 TYR QD . 25 . HD# 1 1 366 1 2 1 1 26 ASN HB3 . 26 . HB1 1 1 367 1 1 1 1 25 TYR QD . 25 . HD# 1 1 367 1 2 1 1 26 ASN HD22 . 26 . HD22 1 1 368 1 1 1 1 26 ASN H . 26 . HN 1 1 368 1 2 1 1 27 GLN H . 27 . HN 1 1 369 1 1 1 1 26 ASN HA . 26 . HA 1 1 369 1 2 1 1 26 ASN HB3 . 26 . HB1 1 1 370 1 1 1 1 26 ASN HA . 26 . HA 1 1 370 1 2 1 1 26 ASN HD22 . 26 . HD22 1 1 371 1 1 1 1 26 ASN HA . 26 . HA 1 1 371 1 2 1 1 27 GLN H . 27 . HN 1 1 372 1 1 1 1 26 ASN HB2 . 26 . HB2 1 1 372 1 2 1 1 26 ASN HD22 . 26 . HD22 1 1 373 1 1 1 1 26 ASN HB2 . 26 . HB2 1 1 373 1 2 1 1 27 GLN H . 27 . HN 1 1 374 1 1 1 1 26 ASN HB3 . 26 . HB1 1 1 374 1 2 1 1 26 ASN HD22 . 26 . HD22 1 1 375 1 1 1 1 26 ASN HB3 . 26 . HB1 1 1 375 1 2 1 1 27 GLN H . 27 . HN 1 1 376 1 1 1 1 26 ASN HD22 . 26 . HD22 1 1 376 1 2 1 1 28 GLN HB2 . 28 . HB2 1 1 377 1 1 1 1 27 GLN H . 27 . HN 1 1 377 1 2 1 1 27 GLN HA . 27 . HA 1 1 378 1 1 1 1 27 GLN H . 27 . HN 1 1 378 1 2 1 1 27 GLN HB2 . 27 . HB2 1 1 379 1 1 1 1 27 GLN H . 27 . HN 1 1 379 1 2 1 1 27 GLN HB3 . 27 . HB1 1 1 380 1 1 1 1 27 GLN H . 27 . HN 1 1 380 1 2 1 1 28 GLN H . 28 . HN 1 1 381 1 1 1 1 27 GLN HA . 27 . HA 1 1 381 1 2 1 1 27 GLN QE . 27 . HE2# 1 1 382 1 1 1 1 27 GLN HA . 27 . HA 1 1 382 1 2 1 1 28 GLN H . 28 . HN 1 1 383 1 1 1 1 27 GLN HB2 . 27 . HB2 1 1 383 1 2 1 1 28 GLN H . 28 . HN 1 1 384 1 1 1 1 27 GLN HB3 . 27 . HB1 1 1 384 1 2 1 1 28 GLN H . 28 . HN 1 1 385 1 1 1 1 27 GLN QG . 27 . HG# 1 1 385 1 2 1 1 28 GLN H . 28 . HN 1 1 386 1 1 1 1 28 GLN H . 28 . HN 1 1 386 1 2 1 1 28 GLN HA . 28 . HA 1 1 387 1 1 1 1 28 GLN H . 28 . HN 1 1 387 1 2 1 1 28 GLN HB2 . 28 . HB2 1 1 388 1 1 1 1 28 GLN H . 28 . HN 1 1 388 1 2 1 1 28 GLN HB3 . 28 . HB1 1 1 389 1 1 1 1 28 GLN H . 28 . HN 1 1 389 1 2 1 1 28 GLN QG . 28 . HG# 1 1 390 1 1 1 1 28 GLN H . 28 . HN 1 1 390 1 2 1 1 29 SER H . 29 . HN 1 1 391 1 1 1 1 28 GLN HA . 28 . HA 1 1 391 1 2 1 1 29 SER H . 29 . HN 1 1 392 1 1 1 1 28 GLN HB2 . 28 . HB2 1 1 392 1 2 1 1 29 SER H . 29 . HN 1 1 393 1 1 1 1 28 GLN HB3 . 28 . HB1 1 1 393 1 2 1 1 29 SER H . 29 . HN 1 1 394 1 1 1 1 28 GLN QG . 28 . HG# 1 1 394 1 2 1 1 29 SER H . 29 . HN 1 1 395 1 1 1 1 29 SER H . 29 . HN 1 1 395 1 2 1 1 29 SER HB2 . 29 . HB2 1 1 396 1 1 1 1 29 SER H . 29 . HN 1 1 396 1 2 1 1 29 SER HB3 . 29 . HB1 1 1 397 1 1 1 1 29 SER HA . 29 . HA 1 1 397 1 2 1 1 29 SER HB3 . 29 . HB1 1 1 398 1 1 1 1 29 SER HA . 29 . HA 1 1 398 1 2 1 1 30 SER H . 30 . HN 1 1 399 1 1 1 1 29 SER HB2 . 29 . HB2 1 1 399 1 2 1 1 30 SER H . 30 . HN 1 1 400 1 1 1 1 29 SER HB3 . 29 . HB1 1 1 400 1 2 1 1 30 SER H . 30 . HN 1 1 401 1 1 1 1 30 SER H . 30 . HN 1 1 401 1 2 1 1 30 SER HA . 30 . HA 1 1 402 1 1 1 1 30 SER H . 30 . HN 1 1 402 1 2 1 1 30 SER HB2 . 30 . HB2 1 1 403 1 1 1 1 30 SER H . 30 . HN 1 1 403 1 2 1 1 30 SER HB3 . 30 . HB1 1 1 404 1 1 1 1 30 SER H . 30 . HN 1 1 404 1 2 1 1 31 CYS H . 31 . HN 1 1 405 1 1 1 1 30 SER HA . 30 . HA 1 1 405 1 2 1 1 30 SER HB3 . 30 . HB1 1 1 406 1 1 1 1 30 SER HA . 30 . HA 1 1 406 1 2 1 1 31 CYS H . 31 . HN 1 1 407 1 1 1 1 30 SER HB2 . 30 . HB2 1 1 407 1 2 1 1 31 CYS H . 31 . HN 1 1 408 1 1 1 1 30 SER HB3 . 30 . HB1 1 1 408 1 2 1 1 31 CYS H . 31 . HN 1 1 409 1 1 1 1 31 CYS H . 31 . HN 1 1 409 1 2 1 1 31 CYS HA . 31 . HA 1 1 410 1 1 1 1 31 CYS H . 31 . HN 1 1 410 1 2 1 1 31 CYS HB2 . 31 . HB2 1 1 411 1 1 1 1 31 CYS H . 31 . HN 1 1 411 1 2 1 1 31 CYS HB3 . 31 . HB1 1 1 412 1 1 1 1 31 CYS H . 31 . HN 1 1 412 1 2 1 1 32 GLU H . 32 . HN 1 1 413 1 1 1 1 31 CYS HA . 31 . HA 1 1 413 1 2 1 1 32 GLU H . 32 . HN 1 1 414 1 1 1 1 31 CYS HA . 31 . HA 1 1 414 1 2 1 1 32 GLU HG2 . 32 . HG2 1 1 415 1 1 1 1 31 CYS HB2 . 31 . HB2 1 1 415 1 2 1 1 32 GLU H . 32 . HN 1 1 416 1 1 1 1 32 GLU H . 32 . HN 1 1 416 1 2 1 1 32 GLU HG2 . 32 . HG2 1 1 417 1 1 1 1 32 GLU H . 32 . HN 1 1 417 1 2 1 1 32 GLU HG3 . 32 . HG1 1 1 418 1 1 1 1 32 GLU HA . 32 . HA 1 1 418 1 2 1 1 32 GLU HG2 . 32 . HG2 1 1 419 1 1 1 1 32 GLU HA . 32 . HA 1 1 419 1 2 1 1 32 GLU HG3 . 32 . HG1 1 1 420 1 1 1 1 32 GLU HA . 32 . HA 1 1 420 1 2 1 1 33 ARG H . 33 . HN 1 1 421 1 1 1 1 32 GLU HA . 32 . HA 1 1 421 1 2 1 1 33 ARG HB3 . 33 . HB1 1 1 422 1 1 1 1 32 GLU QB . 32 . HB# 1 1 422 1 2 1 1 33 ARG H . 33 . HN 1 1 423 1 1 1 1 32 GLU HG2 . 32 . HG2 1 1 423 1 2 1 1 33 ARG H . 33 . HN 1 1 424 1 1 1 1 32 GLU HG2 . 32 . HG2 1 1 424 1 2 1 1 34 LYS QG . 34 . HG# 1 1 425 1 1 1 1 32 GLU HG3 . 32 . HG1 1 1 425 1 2 1 1 33 ARG H . 33 . HN 1 1 426 1 1 1 1 33 ARG H . 33 . HN 1 1 426 1 2 1 1 33 ARG HB2 . 33 . HB2 1 1 427 1 1 1 1 33 ARG H . 33 . HN 1 1 427 1 2 1 1 33 ARG HB3 . 33 . HB1 1 1 428 1 1 1 1 33 ARG H . 33 . HN 1 1 428 1 2 1 1 33 ARG QG . 33 . HG# 1 1 429 1 1 1 1 33 ARG HA . 33 . HA 1 1 429 1 2 1 1 34 LYS H . 34 . HN 1 1 430 1 1 1 1 33 ARG HB2 . 33 . HB2 1 1 430 1 2 1 1 33 ARG HD2 . 33 . HD2 1 1 431 1 1 1 1 33 ARG HB2 . 33 . HB2 1 1 431 1 2 1 1 33 ARG HD3 . 33 . HD1 1 1 432 1 1 1 1 33 ARG HB2 . 33 . HB2 1 1 432 1 2 1 1 33 ARG HE . 33 . HE 1 1 433 1 1 1 1 33 ARG HB3 . 33 . HB1 1 1 433 1 2 1 1 33 ARG HD2 . 33 . HD2 1 1 434 1 1 1 1 33 ARG HB3 . 33 . HB1 1 1 434 1 2 1 1 33 ARG HD3 . 33 . HD1 1 1 435 1 1 1 1 33 ARG HB3 . 33 . HB1 1 1 435 1 2 1 1 33 ARG HE . 33 . HE 1 1 436 1 1 1 1 33 ARG HD2 . 33 . HD2 1 1 436 1 2 1 1 34 LYS QG . 34 . HG# 1 1 437 1 1 1 1 33 ARG HD3 . 33 . HD1 1 1 437 1 2 1 1 33 ARG HE . 33 . HE 1 1 438 1 1 1 1 33 ARG HD3 . 33 . HD1 1 1 438 1 2 1 1 34 LYS QG . 34 . HG# 1 1 439 1 1 1 1 33 ARG QG . 33 . HG# 1 1 439 1 2 1 1 34 LYS H . 34 . HN 1 1 440 1 1 1 1 33 ARG QG . 33 . HG# 1 1 440 1 2 1 1 35 TRP H . 35 . HN 1 1 441 1 1 1 1 33 ARG QG . 33 . HG# 1 1 441 1 2 1 1 35 TRP HD1 . 35 . HD1 1 1 442 1 1 1 1 34 LYS H . 34 . HN 1 1 442 1 2 1 1 34 LYS HA . 34 . HA 1 1 443 1 1 1 1 34 LYS H . 34 . HN 1 1 443 1 2 1 1 34 LYS QB . 34 . HB# 1 1 444 1 1 1 1 34 LYS H . 34 . HN 1 1 444 1 2 1 1 34 LYS QG . 34 . HG# 1 1 445 1 1 1 1 34 LYS H . 34 . HN 1 1 445 1 2 1 1 35 TRP H . 35 . HN 1 1 446 1 1 1 1 34 LYS HA . 34 . HA 1 1 446 1 2 1 1 35 TRP H . 35 . HN 1 1 447 1 1 1 1 34 LYS HA . 34 . HA 1 1 447 1 2 1 1 35 TRP HD1 . 35 . HD1 1 1 448 1 1 1 1 34 LYS QB . 34 . HB# 1 1 448 1 2 1 1 35 TRP H . 35 . HN 1 1 449 1 1 1 1 34 LYS QB . 34 . HB# 1 1 449 1 2 1 1 35 TRP HD1 . 35 . HD1 1 1 450 1 1 1 1 34 LYS QE . 34 . HE# 1 1 450 1 2 1 1 34 LYS QG . 34 . HG# 1 1 451 1 1 1 1 34 LYS QG . 34 . HG# 1 1 451 1 2 1 1 35 TRP H . 35 . HN 1 1 452 1 1 1 1 34 LYS QG . 34 . HG# 1 1 452 1 2 1 1 35 TRP HD1 . 35 . HD1 1 1 453 1 1 1 1 35 TRP H . 35 . HN 1 1 453 1 2 1 1 35 TRP HB2 . 35 . HB2 1 1 454 1 1 1 1 35 TRP H . 35 . HN 1 1 454 1 2 1 1 35 TRP HB3 . 35 . HB1 1 1 455 1 1 1 1 35 TRP H . 35 . HN 1 1 455 1 2 1 1 35 TRP HD1 . 35 . HD1 1 1 456 1 1 1 1 35 TRP H . 35 . HN 1 1 456 1 2 1 1 36 LYS H . 36 . HN 1 1 457 1 1 1 1 35 TRP HA . 35 . HA 1 1 457 1 2 1 1 35 TRP HD1 . 35 . HD1 1 1 458 1 1 1 1 35 TRP HA . 35 . HA 1 1 458 1 2 1 1 36 LYS H . 36 . HN 1 1 459 1 1 1 1 35 TRP HA . 35 . HA 1 1 459 1 2 1 1 37 TYR H . 37 . HN 1 1 460 1 1 1 1 35 TRP HB2 . 35 . HB2 1 1 460 1 2 1 1 36 LYS H . 36 . HN 1 1 461 1 1 1 1 35 TRP HB2 . 35 . HB2 1 1 461 1 2 1 1 37 TYR H . 37 . HN 1 1 462 1 1 1 1 35 TRP HB3 . 35 . HB1 1 1 462 1 2 1 1 36 LYS H . 36 . HN 1 1 463 1 1 1 1 35 TRP HB3 . 35 . HB1 1 1 463 1 2 1 1 37 TYR H . 37 . HN 1 1 464 1 1 1 1 35 TRP HD1 . 35 . HD1 1 1 464 1 2 1 1 36 LYS H . 36 . HN 1 1 465 1 1 1 1 36 LYS H . 36 . HN 1 1 465 1 2 1 1 36 LYS HA . 36 . HA 1 1 466 1 1 1 1 36 LYS H . 36 . HN 1 1 466 1 2 1 1 36 LYS QB . 36 . HB# 1 1 467 1 1 1 1 36 LYS H . 36 . HN 1 1 467 1 2 1 1 36 LYS HG2 . 36 . HG2 1 1 468 1 1 1 1 36 LYS H . 36 . HN 1 1 468 1 2 1 1 36 LYS HG3 . 36 . HG1 1 1 469 1 1 1 1 36 LYS H . 36 . HN 1 1 469 1 2 1 1 37 TYR H . 37 . HN 1 1 470 1 1 1 1 36 LYS HA . 36 . HA 1 1 470 1 2 1 1 36 LYS HG2 . 36 . HG2 1 1 471 1 1 1 1 36 LYS HA . 36 . HA 1 1 471 1 2 1 1 36 LYS HG3 . 36 . HG1 1 1 472 1 1 1 1 36 LYS HA . 36 . HA 1 1 472 1 2 1 1 37 TYR H . 37 . HN 1 1 473 1 1 1 1 36 LYS HA . 36 . HA 1 1 473 1 2 1 1 38 LEU H . 38 . HN 1 1 474 1 1 1 1 36 LYS QB . 36 . HB# 1 1 474 1 2 1 1 37 TYR H . 37 . HN 1 1 475 1 1 1 1 36 LYS QB . 36 . HB# 1 1 475 1 2 1 1 37 TYR QD . 37 . HD# 1 1 476 1 1 1 1 37 TYR H . 37 . HN 1 1 476 1 2 1 1 37 TYR HB2 . 37 . HB2 1 1 477 1 1 1 1 37 TYR H . 37 . HN 1 1 477 1 2 1 1 37 TYR HB3 . 37 . HB1 1 1 478 1 1 1 1 37 TYR H . 37 . HN 1 1 478 1 2 1 1 37 TYR QD . 37 . HD# 1 1 479 1 1 1 1 37 TYR H . 37 . HN 1 1 479 1 2 1 1 38 LEU H . 38 . HN 1 1 480 1 1 1 1 37 TYR HA . 37 . HA 1 1 480 1 2 1 1 37 TYR QD . 37 . HD# 1 1 481 1 1 1 1 37 TYR HA . 37 . HA 1 1 481 1 2 1 1 37 TYR QE . 37 . HE# 1 1 482 1 1 1 1 37 TYR HA . 37 . HA 1 1 482 1 2 1 1 38 LEU H . 38 . HN 1 1 483 1 1 1 1 37 TYR HB2 . 37 . HB2 1 1 483 1 2 1 1 37 TYR QE . 37 . HE# 1 1 484 1 1 1 1 37 TYR HB3 . 37 . HB1 1 1 484 1 2 1 1 37 TYR QE . 37 . HE# 1 1 485 1 1 1 1 37 TYR HB3 . 37 . HB1 1 1 485 1 2 1 1 38 LEU H . 38 . HN 1 1 486 1 1 1 1 37 TYR QD . 37 . HD# 1 1 486 1 2 1 1 38 LEU H . 38 . HN 1 1 487 1 1 1 1 38 LEU H . 38 . HN 1 1 487 1 2 1 1 38 LEU HA . 38 . HA 1 1 488 1 1 1 1 38 LEU H . 38 . HN 1 1 488 1 2 1 1 38 LEU QB . 38 . HB# 1 1 489 1 1 1 1 38 LEU H . 38 . HN 1 1 489 1 2 1 1 38 LEU MD1 . 38 . HD1# 1 1 490 1 1 1 1 38 LEU H . 38 . HN 1 1 490 1 2 1 1 38 LEU MD2 . 38 . HD2# 1 1 491 1 1 1 1 38 LEU H . 38 . HN 1 1 491 1 2 1 1 38 LEU HG . 38 . HG 1 1 492 1 1 1 1 38 LEU H . 38 . HN 1 1 492 1 2 1 1 39 PHE H . 39 . HN 1 1 493 1 1 1 1 38 LEU HA . 38 . HA 1 1 493 1 2 1 1 39 PHE H . 39 . HN 1 1 494 1 1 1 1 38 LEU QB . 38 . HB# 1 1 494 1 2 1 1 39 PHE H . 39 . HN 1 1 495 1 1 1 1 38 LEU MD1 . 38 . HD1# 1 1 495 1 2 1 1 39 PHE H . 39 . HN 1 1 496 1 1 1 1 38 LEU MD2 . 38 . HD2# 1 1 496 1 2 1 1 39 PHE H . 39 . HN 1 1 497 1 1 1 1 38 LEU HG . 38 . HG 1 1 497 1 2 1 1 39 PHE H . 39 . HN 1 1 498 1 1 1 1 39 PHE H . 39 . HN 1 1 498 1 2 1 1 39 PHE HA . 39 . HA 1 1 499 1 1 1 1 39 PHE H . 39 . HN 1 1 499 1 2 1 1 39 PHE HB2 . 39 . HB2 1 1 500 1 1 1 1 39 PHE H . 39 . HN 1 1 500 1 2 1 1 39 PHE HB3 . 39 . HB1 1 1 501 1 1 1 1 39 PHE H . 39 . HN 1 1 501 1 2 1 1 39 PHE QD . 39 . HD# 1 1 502 1 1 1 1 39 PHE HA . 39 . HA 1 1 502 1 2 1 1 39 PHE QD . 39 . HD# 1 1 503 1 1 1 1 39 PHE HA . 39 . HA 1 1 503 1 2 1 1 40 THR H . 40 . HN 1 1 504 1 1 1 1 39 PHE HB2 . 39 . HB2 1 1 504 1 2 1 1 39 PHE QD . 39 . HD# 1 1 505 1 1 1 1 39 PHE HB2 . 39 . HB2 1 1 505 1 2 1 1 39 PHE QE . 39 . HE# 1 1 506 1 1 1 1 39 PHE HB3 . 39 . HB1 1 1 506 1 2 1 1 39 PHE QD . 39 . HD# 1 1 507 1 1 1 1 39 PHE HB3 . 39 . HB1 1 1 507 1 2 1 1 39 PHE QE . 39 . HE# 1 1 508 1 1 1 1 39 PHE QD . 39 . HD# 1 1 508 1 2 1 1 40 THR H . 40 . HN 1 1 509 1 1 1 1 40 THR H . 40 . HN 1 1 509 1 2 1 1 40 THR HG1 . 40 . HG1 1 1 510 1 1 1 1 40 THR H . 40 . HN 1 1 510 1 2 1 1 41 GLY H . 41 . HN 1 1 511 1 1 1 1 40 THR HA . 40 . HA 1 1 511 1 2 1 1 41 GLY H . 41 . HN 1 1 512 1 1 1 1 40 THR HG1 . 40 . HG1 1 1 512 1 2 1 1 41 GLY H . 41 . HN 1 1 513 1 1 1 1 41 GLY H . 41 . HN 1 1 513 1 2 1 1 41 GLY HA2 . 41 . HA2 1 1 514 1 1 1 1 41 GLY H . 41 . HN 1 1 514 1 2 1 1 41 GLY HA3 . 41 . HA1 1 1 515 1 1 1 1 41 GLY H . 41 . HN 1 1 515 1 2 1 1 42 GLU H . 42 . HN 1 1 516 1 1 1 1 41 GLY HA2 . 41 . HA2 1 1 516 1 2 1 1 42 GLU H . 42 . HN 1 1 517 1 1 1 1 41 GLY HA3 . 41 . HA1 1 1 517 1 2 1 1 42 GLU H . 42 . HN 1 1 518 1 1 1 1 42 GLU H . 42 . HN 1 1 518 1 2 1 1 42 GLU HB2 . 42 . HB2 1 1 519 1 1 1 1 42 GLU H . 42 . HN 1 1 519 1 2 1 1 42 GLU HB3 . 42 . HB1 1 1 520 1 1 1 1 42 GLU H . 42 . HN 1 1 520 1 2 1 1 42 GLU QG . 42 . HG# 1 1 521 1 1 1 1 42 GLU H . 42 . HN 1 1 521 1 2 1 1 43 CYS H . 43 . HN 1 1 522 1 1 1 1 42 GLU HA . 42 . HA 1 1 522 1 2 1 1 43 CYS H . 43 . HN 1 1 523 1 1 1 1 42 GLU HB2 . 42 . HB2 1 1 523 1 2 1 1 43 CYS H . 43 . HN 1 1 524 1 1 1 1 42 GLU HB3 . 42 . HB1 1 1 524 1 2 1 1 43 CYS H . 43 . HN 1 1 525 1 1 1 1 42 GLU QG . 42 . HG# 1 1 525 1 2 1 1 43 CYS H . 43 . HN 1 1 526 1 1 1 1 43 CYS H . 43 . HN 1 1 526 1 2 1 1 43 CYS HB2 . 43 . HB2 1 1 527 1 1 1 1 43 CYS H . 43 . HN 1 1 527 1 2 1 1 43 CYS HB3 . 43 . HB1 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 . . . . . 4.0 1.8 5.0 1 1 2 1 . . . . . 4.0 1.8 5.0 1 1 3 1 . . . . . 4.0 1.8 6.0 1 1 4 1 . . . . . 4.0 1.8 5.0 1 1 5 1 . . . . . 4.0 1.8 5.0 1 1 6 1 . . . . . 4.0 1.8 5.0 1 1 7 1 . . . . . 4.0 1.8 5.0 1 1 8 1 . . . . . 4.0 1.8 5.0 1 1 9 1 . . . . . 4.0 1.8 5.0 1 1 10 1 . . . . . 4.0 1.8 5.0 1 1 11 1 . . . . . 3.0 1.8 3.3 1 1 12 1 . . . . . 4.0 1.8 6.0 1 1 13 1 . . . . . 3.0 1.8 3.3 1 1 14 1 . . . . . 3.0 1.8 3.3 1 1 15 1 . . . . . 4.0 1.8 5.0 1 1 16 1 . . . . . 3.0 1.8 3.3 1 1 17 1 . . . . . 3.0 1.8 3.3 1 1 18 1 . . . . . 4.0 1.8 6.0 1 1 19 1 . . . . . 4.0 1.8 5.0 1 1 20 1 . . . . . 3.0 1.8 3.3 1 1 21 1 . . . . . 4.0 1.8 5.0 1 1 22 1 . . . . . 4.0 1.8 5.0 1 1 23 1 . . . . . 4.0 1.8 5.0 1 1 24 1 . . . . . 4.0 1.8 6.0 1 1 25 1 . . . . . 2.5 1.8 2.7 1 1 26 1 . . . . . 4.0 1.8 5.0 1 1 27 1 . . . . . 4.0 1.8 6.0 1 1 28 1 . . . . . 4.0 1.8 6.0 1 1 29 1 . . . . . 4.0 1.8 5.0 1 1 30 1 . . . . . 4.0 1.8 5.0 1 1 31 1 . . . . . 3.0 1.8 3.3 1 1 32 1 . . . . . 4.0 1.8 6.0 1 1 33 1 . . . . . 4.0 1.8 6.0 1 1 34 1 . . . . . 3.0 1.8 3.3 1 1 35 1 . . . . . 3.0 1.8 3.3 1 1 36 1 . . . . . 3.0 1.8 3.3 1 1 37 1 . . . . . 4.0 1.8 5.0 1 1 38 1 . . . . . 4.0 1.8 5.0 1 1 39 1 . . . . . 4.0 1.8 5.0 1 1 40 1 . . . . . 4.0 1.8 5.0 1 1 41 1 . . . . . 3.0 1.8 3.3 1 1 42 1 . . . . . 3.0 1.8 3.3 1 1 43 1 . . . . . 4.0 1.8 5.0 1 1 44 1 . . . . . 2.5 1.8 2.7 1 1 45 1 . . . . . 4.0 1.8 5.0 1 1 46 1 . . . . . 4.0 1.8 5.0 1 1 47 1 . . . . . 4.0 1.8 5.0 1 1 48 1 . . . . . 4.0 1.8 5.0 1 1 49 1 . . . . . 4.0 1.8 5.0 1 1 50 1 . . . . . 4.0 1.8 5.0 1 1 51 1 . . . . . 4.0 1.8 5.0 1 1 52 1 . . . . . 4.0 1.8 5.0 1 1 53 1 . . . . . 4.0 1.8 5.0 1 1 54 1 . . . . . 4.0 1.8 5.0 1 1 55 1 . . . . . 2.5 1.8 2.7 1 1 56 1 . . . . . 4.0 1.8 5.0 1 1 57 1 . . . . . 4.0 1.8 5.0 1 1 58 1 . . . . . 4.0 1.8 5.0 1 1 59 1 . . . . . 4.0 1.8 5.0 1 1 60 1 . . . . . 3.0 1.8 3.3 1 1 61 1 . . . . . 4.0 1.8 6.0 1 1 62 1 . . . . . 4.0 1.8 6.0 1 1 63 1 . . . . . 4.0 1.8 5.0 1 1 64 1 . . . . . 4.0 1.8 5.0 1 1 65 1 . . . . . 3.0 1.8 3.3 1 1 66 1 . . . . . 4.0 1.8 5.0 1 1 67 1 . . . . . 4.0 1.8 5.0 1 1 68 1 . . . . . 4.0 1.8 5.0 1 1 69 1 . . . . . 4.0 1.8 5.0 1 1 70 1 . . . . . 4.0 1.8 5.0 1 1 71 1 . . . . . 4.0 1.8 5.0 1 1 72 1 . . . . . 4.0 1.8 5.0 1 1 73 1 . . . . . 4.0 1.8 5.0 1 1 74 1 . . . . . 3.0 1.8 3.3 1 1 75 1 . . . . . 4.0 1.8 5.0 1 1 76 1 . . . . . 4.0 1.8 5.0 1 1 77 1 . . . . . 4.0 1.8 5.0 1 1 78 1 . . . . . 4.0 1.8 6.0 1 1 79 1 . . . . . 4.0 1.8 6.0 1 1 80 1 . . . . . 2.5 1.8 2.7 1 1 81 1 . . . . . 3.0 1.8 3.3 1 1 82 1 . . . . . 4.0 1.8 6.0 1 1 83 1 . . . . . 4.0 1.8 5.0 1 1 84 1 . . . . . 4.0 1.8 5.0 1 1 85 1 . . . . . 4.0 1.8 5.0 1 1 86 1 . . . . . 3.0 1.8 3.3 1 1 87 1 . . . . . 2.5 1.8 2.7 1 1 88 1 . . . . . 4.0 1.8 5.0 1 1 89 1 . . . . . 4.0 1.8 5.0 1 1 90 1 . . . . . 4.0 1.8 5.0 1 1 91 1 . . . . . 2.5 1.8 2.7 1 1 92 1 . . . . . 4.0 1.8 5.0 1 1 93 1 . . . . . 4.0 1.8 5.0 1 1 94 1 . . . . . 4.0 1.8 5.0 1 1 95 1 . . . . . 3.0 1.8 3.3 1 1 96 1 . . . . . 4.0 1.8 5.0 1 1 97 1 . . . . . 4.0 1.8 6.0 1 1 98 1 . . . . . 4.0 1.8 6.0 1 1 99 1 . . . . . 4.0 1.8 5.0 1 1 100 1 . . . . . 4.0 1.8 5.0 1 1 101 1 . . . . . 4.0 1.8 5.0 1 1 102 1 . . . . . 4.0 1.8 6.0 1 1 103 1 . . . . . 4.0 1.8 5.0 1 1 104 1 . . . . . 4.0 1.8 5.0 1 1 105 1 . . . . . 4.0 1.8 6.0 1 1 106 1 . . . . . 4.0 1.8 5.0 1 1 107 1 . . . . . 4.0 1.8 6.0 1 1 108 1 . . . . . 4.0 1.8 5.0 1 1 109 1 . . . . . 4.0 1.8 6.0 1 1 110 1 . . . . . 3.0 1.8 3.3 1 1 111 1 . . . . . 3.0 1.8 3.3 1 1 112 1 . . . . . 2.5 1.8 2.7 1 1 113 1 . . . . . 4.0 1.8 5.0 1 1 114 1 . . . . . 4.0 1.8 5.0 1 1 115 1 . . . . . 4.0 1.8 6.0 1 1 116 1 . . . . . 4.0 1.8 5.0 1 1 117 1 . . . . . 4.0 1.8 5.0 1 1 118 1 . . . . . 4.0 1.8 5.0 1 1 119 1 . . . . . 3.0 1.8 3.3 1 1 120 1 . . . . . 3.0 1.8 3.3 1 1 121 1 . . . . . 4.0 1.8 5.0 1 1 122 1 . . . . . 2.5 1.8 2.7 1 1 123 1 . . . . . 4.0 1.8 5.0 1 1 124 1 . . . . . 4.0 1.8 5.0 1 1 125 1 . . . . . 4.0 1.8 5.0 1 1 126 1 . . . . . 4.0 1.8 5.0 1 1 127 1 . . . . . 4.0 1.8 5.0 1 1 128 1 . . . . . 3.0 1.8 3.3 1 1 129 1 . . . . . 4.0 1.8 5.0 1 1 130 1 . . . . . 4.0 1.8 5.0 1 1 131 1 . . . . . 4.0 1.8 5.0 1 1 132 1 . . . . . 4.0 1.8 5.0 1 1 133 1 . . . . . 4.0 1.8 5.0 1 1 134 1 . . . . . 4.0 1.8 5.0 1 1 135 1 . . . . . 3.0 1.8 3.3 1 1 136 1 . . . . . 3.0 1.8 3.3 1 1 137 1 . . . . . 2.5 1.8 2.7 1 1 138 1 . . . . . 4.0 1.8 5.0 1 1 139 1 . . . . . 4.0 1.8 5.0 1 1 140 1 . . . . . 3.0 1.8 3.3 1 1 141 1 . . . . . 4.0 1.8 5.0 1 1 142 1 . . . . . 4.0 1.8 5.0 1 1 143 1 . . . . . 3.0 1.8 3.3 1 1 144 1 . . . . . 4.0 1.8 5.0 1 1 145 1 . . . . . 4.0 1.8 5.0 1 1 146 1 . . . . . 4.0 1.8 5.0 1 1 147 1 . . . . . 3.0 1.8 3.3 1 1 148 1 . . . . . 2.5 1.8 2.7 1 1 149 1 . . . . . 3.0 1.8 3.3 1 1 150 1 . . . . . 4.0 1.8 6.0 1 1 151 1 . . . . . 3.0 1.8 3.3 1 1 152 1 . . . . . 4.0 1.8 5.0 1 1 153 1 . . . . . 4.0 1.8 5.0 1 1 154 1 . . . . . 4.0 1.8 5.0 1 1 155 1 . . . . . 4.0 1.8 5.0 1 1 156 1 . . . . . 4.0 1.8 5.0 1 1 157 1 . . . . . 3.0 1.8 3.3 1 1 158 1 . . . . . 4.0 1.8 5.0 1 1 159 1 . . . . . 4.0 1.8 5.0 1 1 160 1 . . . . . 3.0 1.8 3.3 1 1 161 1 . . . . . 3.0 1.8 3.3 1 1 162 1 . . . . . 3.0 1.8 3.3 1 1 163 1 . . . . . 3.0 1.8 3.3 1 1 164 1 . . . . . 2.5 1.8 2.7 1 1 165 1 . . . . . 3.0 1.8 3.3 1 1 166 1 . . . . . 4.0 1.8 5.0 1 1 167 1 . . . . . 4.0 1.8 5.0 1 1 168 1 . . . . . 4.0 1.8 5.0 1 1 169 1 . . . . . 4.0 1.8 5.0 1 1 170 1 . . . . . 3.0 1.8 3.3 1 1 171 1 . . . . . 3.0 1.8 3.3 1 1 172 1 . . . . . 4.0 1.8 5.0 1 1 173 1 . . . . . 4.0 1.8 5.0 1 1 174 1 . . . . . 4.0 1.8 5.0 1 1 175 1 . . . . . 4.0 1.8 5.0 1 1 176 1 . . . . . 3.0 1.8 3.3 1 1 177 1 . . . . . 3.0 1.8 3.3 1 1 178 1 . . . . . 4.0 1.8 5.0 1 1 179 1 . . . . . 2.5 1.8 2.7 1 1 180 1 . . . . . 4.0 1.8 5.0 1 1 181 1 . . . . . 4.0 1.8 6.0 1 1 182 1 . . . . . 4.0 1.8 5.0 1 1 183 1 . . . . . 4.0 1.8 6.0 1 1 184 1 . . . . . 4.0 1.8 5.0 1 1 185 1 . . . . . 4.0 1.8 5.0 1 1 186 1 . . . . . 4.0 1.8 6.0 1 1 187 1 . . . . . 4.0 1.8 5.0 1 1 188 1 . . . . . 3.0 1.8 3.3 1 1 189 1 . . . . . 4.0 1.8 5.0 1 1 190 1 . . . . . 4.0 1.8 5.0 1 1 191 1 . . . . . 4.0 1.8 5.0 1 1 192 1 . . . . . 4.0 1.8 5.0 1 1 193 1 . . . . . 4.0 1.8 5.0 1 1 194 1 . . . . . 3.0 1.8 3.3 1 1 195 1 . . . . . 3.0 1.8 3.3 1 1 196 1 . . . . . 2.5 1.8 2.7 1 1 197 1 . . . . . 4.0 1.8 5.0 1 1 198 1 . . . . . 4.0 1.8 5.0 1 1 199 1 . . . . . 4.0 1.8 5.0 1 1 200 1 . . . . . 3.0 1.8 3.3 1 1 201 1 . . . . . 4.0 1.8 6.0 1 1 202 1 . . . . . 4.0 1.8 6.0 1 1 203 1 . . . . . 3.0 1.8 3.3 1 1 204 1 . . . . . 3.0 1.8 3.3 1 1 205 1 . . . . . 4.0 1.8 5.0 1 1 206 1 . . . . . 4.0 1.8 6.0 1 1 207 1 . . . . . 2.5 1.8 2.7 1 1 208 1 . . . . . 4.0 1.8 5.0 1 1 209 1 . . . . . 4.0 1.8 5.0 1 1 210 1 . . . . . 4.0 1.8 5.0 1 1 211 1 . . . . . 4.0 1.8 5.0 1 1 212 1 . . . . . 4.0 1.8 5.0 1 1 213 1 . . . . . 3.0 1.8 3.3 1 1 214 1 . . . . . 2.5 1.8 2.7 1 1 215 1 . . . . . 4.0 1.8 5.0 1 1 216 1 . . . . . 4.0 1.8 5.0 1 1 217 1 . . . . . 4.0 1.8 5.0 1 1 218 1 . . . . . 4.0 1.8 5.0 1 1 219 1 . . . . . 4.0 1.8 5.0 1 1 220 1 . . . . . 4.0 1.8 5.0 1 1 221 1 . . . . . 4.0 1.8 5.0 1 1 222 1 . . . . . 3.0 1.8 3.3 1 1 223 1 . . . . . 4.0 1.8 5.0 1 1 224 1 . . . . . 4.0 1.8 5.0 1 1 225 1 . . . . . 4.0 1.8 5.0 1 1 226 1 . . . . . 4.0 1.8 6.0 1 1 227 1 . . . . . 4.0 1.8 5.0 1 1 228 1 . . . . . 2.5 1.8 2.7 1 1 229 1 . . . . . 4.0 1.8 5.0 1 1 230 1 . . . . . 4.0 1.8 5.0 1 1 231 1 . . . . . 4.0 1.8 5.0 1 1 232 1 . . . . . 4.0 1.8 5.0 1 1 233 1 . . . . . 4.0 1.8 5.0 1 1 234 1 . . . . . 4.0 1.8 5.0 1 1 235 1 . . . . . 4.0 1.8 5.0 1 1 236 1 . . . . . 4.0 1.8 5.0 1 1 237 1 . . . . . 4.0 1.8 5.0 1 1 238 1 . . . . . 4.0 1.8 5.0 1 1 239 1 . . . . . 4.0 1.8 5.0 1 1 240 1 . . . . . 4.0 1.8 5.0 1 1 241 1 . . . . . 4.0 1.8 5.0 1 1 242 1 . . . . . 4.0 1.8 5.0 1 1 243 1 . . . . . 4.0 1.8 5.0 1 1 244 1 . . . . . 4.0 1.8 5.0 1 1 245 1 . . . . . 4.0 1.8 5.0 1 1 246 1 . . . . . 4.0 1.8 5.0 1 1 247 1 . . . . . 4.0 1.8 5.0 1 1 248 1 . . . . . 4.0 1.8 5.0 1 1 249 1 . . . . . 4.0 1.8 5.0 1 1 250 1 . . . . . 4.0 1.8 5.0 1 1 251 1 . . . . . 4.0 1.8 5.0 1 1 252 1 . . . . . 4.0 1.8 5.0 1 1 253 1 . . . . . 4.0 1.8 5.0 1 1 254 1 . . . . . 3.0 1.8 3.3 1 1 255 1 . . . . . 2.5 1.8 2.7 1 1 256 1 . . . . . 4.0 1.8 5.0 1 1 257 1 . . . . . 4.0 1.8 6.0 1 1 258 1 . . . . . 4.0 1.8 6.0 1 1 259 1 . . . . . 4.0 1.8 5.0 1 1 260 1 . . . . . 4.0 1.8 5.0 1 1 261 1 . . . . . 4.0 1.8 6.0 1 1 262 1 . . . . . 4.0 1.8 5.0 1 1 263 1 . . . . . 4.0 1.8 5.0 1 1 264 1 . . . . . 4.0 1.8 5.0 1 1 265 1 . . . . . 4.0 1.8 5.0 1 1 266 1 . . . . . 4.0 1.8 5.0 1 1 267 1 . . . . . 4.0 1.8 5.0 1 1 268 1 . . . . . 4.0 1.8 5.0 1 1 269 1 . . . . . 3.0 1.8 3.3 1 1 270 1 . . . . . 3.0 1.8 3.3 1 1 271 1 . . . . . 4.0 1.8 5.0 1 1 272 1 . . . . . 4.0 1.8 6.0 1 1 273 1 . . . . . 3.0 1.8 3.3 1 1 274 1 . . . . . 2.5 1.8 2.7 1 1 275 1 . . . . . 4.0 1.8 5.0 1 1 276 1 . . . . . 4.0 1.8 5.0 1 1 277 1 . . . . . 4.0 1.8 5.0 1 1 278 1 . . . . . 4.0 1.8 5.0 1 1 279 1 . . . . . 4.0 1.8 6.0 1 1 280 1 . . . . . 4.0 1.8 5.0 1 1 281 1 . . . . . 4.0 1.8 5.0 1 1 282 1 . . . . . 4.0 1.8 5.0 1 1 283 1 . . . . . 4.0 1.8 5.0 1 1 284 1 . . . . . 3.0 1.8 3.3 1 1 285 1 . . . . . 4.0 1.8 5.0 1 1 286 1 . . . . . 4.0 1.8 5.0 1 1 287 1 . . . . . 4.0 1.8 5.0 1 1 288 1 . . . . . 2.5 1.8 2.7 1 1 289 1 . . . . . 4.0 1.8 5.0 1 1 290 1 . . . . . 4.0 1.8 5.0 1 1 291 1 . . . . . 4.0 1.8 5.0 1 1 292 1 . . . . . 4.0 1.8 5.0 1 1 293 1 . . . . . 4.0 1.8 6.0 1 1 294 1 . . . . . 4.0 1.8 6.0 1 1 295 1 . . . . . 4.0 1.8 5.0 1 1 296 1 . . . . . 4.0 1.8 5.0 1 1 297 1 . . . . . 4.0 1.8 5.0 1 1 298 1 . . . . . 4.0 1.8 5.0 1 1 299 1 . . . . . 4.0 1.8 5.0 1 1 300 1 . . . . . 4.0 1.8 5.0 1 1 301 1 . . . . . 3.0 1.8 3.3 1 1 302 1 . . . . . 4.0 1.8 5.0 1 1 303 1 . . . . . 4.0 1.8 5.0 1 1 304 1 . . . . . 4.0 1.8 5.0 1 1 305 1 . . . . . 3.0 1.8 3.3 1 1 306 1 . . . . . 3.0 1.8 3.3 1 1 307 1 . . . . . 4.0 1.8 5.0 1 1 308 1 . . . . . 4.0 1.8 5.0 1 1 309 1 . . . . . 3.0 1.8 3.3 1 1 310 1 . . . . . 4.0 1.8 5.0 1 1 311 1 . . . . . 4.0 1.8 5.0 1 1 312 1 . . . . . 3.0 1.8 3.3 1 1 313 1 . . . . . 4.0 1.8 5.0 1 1 314 1 . . . . . 4.0 1.8 5.0 1 1 315 1 . . . . . 4.0 1.8 5.0 1 1 316 1 . . . . . 4.0 1.8 5.0 1 1 317 1 . . . . . 4.0 1.8 6.0 1 1 318 1 . . . . . 4.0 1.8 6.0 1 1 319 1 . . . . . 4.0 1.8 5.0 1 1 320 1 . . . . . 4.0 1.8 5.0 1 1 321 1 . . . . . 4.0 1.8 5.0 1 1 322 1 . . . . . 4.0 1.8 6.0 1 1 323 1 . . . . . 4.0 1.8 5.0 1 1 324 1 . . . . . 3.0 1.8 3.3 1 1 325 1 . . . . . 3.0 1.8 3.3 1 1 326 1 . . . . . 4.0 1.8 5.0 1 1 327 1 . . . . . 4.0 1.8 5.0 1 1 328 1 . . . . . 4.0 1.8 5.0 1 1 329 1 . . . . . 2.5 1.8 2.7 1 1 330 1 . . . . . 4.0 1.8 6.0 1 1 331 1 . . . . . 4.0 1.8 5.0 1 1 332 1 . . . . . 4.0 1.8 5.0 1 1 333 1 . . . . . 4.0 1.8 5.0 1 1 334 1 . . . . . 4.0 1.8 5.0 1 1 335 1 . . . . . 4.0 1.8 5.0 1 1 336 1 . . . . . 4.0 1.8 5.0 1 1 337 1 . . . . . 4.0 1.8 5.0 1 1 338 1 . . . . . 3.0 1.8 3.3 1 1 339 1 . . . . . 4.0 1.8 5.0 1 1 340 1 . . . . . 4.0 1.8 5.0 1 1 341 1 . . . . . 4.0 1.8 5.0 1 1 342 1 . . . . . 4.0 1.8 5.0 1 1 343 1 . . . . . 4.0 1.8 5.0 1 1 344 1 . . . . . 4.0 1.8 5.0 1 1 345 1 . . . . . 4.0 1.8 5.0 1 1 346 1 . . . . . 4.0 1.8 6.0 1 1 347 1 . . . . . 4.0 1.8 6.0 1 1 348 1 . . . . . 4.0 1.8 5.0 1 1 349 1 . . . . . 4.0 1.8 6.0 1 1 350 1 . . . . . 4.0 1.8 5.0 1 1 351 1 . . . . . 3.0 1.8 3.3 1 1 352 1 . . . . . 4.0 1.8 5.0 1 1 353 1 . . . . . 4.0 1.8 5.0 1 1 354 1 . . . . . 4.0 1.8 5.0 1 1 355 1 . . . . . 4.0 1.8 5.0 1 1 356 1 . . . . . 4.0 1.8 6.0 1 1 357 1 . . . . . 3.0 1.8 3.3 1 1 358 1 . . . . . 4.0 1.8 5.0 1 1 359 1 . . . . . 4.0 1.8 5.0 1 1 360 1 . . . . . 4.0 1.8 5.0 1 1 361 1 . . . . . 3.0 1.8 3.3 1 1 362 1 . . . . . 4.0 1.8 5.0 1 1 363 1 . . . . . 3.0 1.8 3.3 1 1 364 1 . . . . . 4.0 1.8 5.0 1 1 365 1 . . . . . 4.0 1.8 5.0 1 1 366 1 . . . . . 4.0 1.8 5.0 1 1 367 1 . . . . . 4.0 1.8 5.0 1 1 368 1 . . . . . 3.0 1.8 3.3 1 1 369 1 . . . . . 3.0 1.8 3.3 1 1 370 1 . . . . . 4.0 1.8 5.0 1 1 371 1 . . . . . 4.0 1.8 5.0 1 1 372 1 . . . . . 4.0 1.8 5.0 1 1 373 1 . . . . . 4.0 1.8 5.0 1 1 374 1 . . . . . 4.0 1.8 5.0 1 1 375 1 . . . . . 4.0 1.8 5.0 1 1 376 1 . . . . . 4.0 1.8 6.0 1 1 377 1 . . . . . 2.5 1.8 2.7 1 1 378 1 . . . . . 4.0 1.8 5.0 1 1 379 1 . . . . . 4.0 1.8 5.0 1 1 380 1 . . . . . 4.0 1.8 5.0 1 1 381 1 . . . . . 4.0 1.8 6.0 1 1 382 1 . . . . . 3.0 1.8 3.3 1 1 383 1 . . . . . 4.0 1.8 5.0 1 1 384 1 . . . . . 4.0 1.8 5.0 1 1 385 1 . . . . . 4.0 1.8 6.0 1 1 386 1 . . . . . 3.0 1.8 3.3 1 1 387 1 . . . . . 4.0 1.8 5.0 1 1 388 1 . . . . . 4.0 1.8 5.0 1 1 389 1 . . . . . 4.0 1.8 5.0 1 1 390 1 . . . . . 4.0 1.8 6.0 1 1 391 1 . . . . . 2.5 1.8 2.7 1 1 392 1 . . . . . 4.0 1.8 5.0 1 1 393 1 . . . . . 4.0 1.8 5.0 1 1 394 1 . . . . . 4.0 1.8 5.0 1 1 395 1 . . . . . 3.0 1.8 3.3 1 1 396 1 . . . . . 4.0 1.8 5.0 1 1 397 1 . . . . . 3.0 1.8 3.3 1 1 398 1 . . . . . 2.5 1.8 2.7 1 1 399 1 . . . . . 4.0 1.8 5.0 1 1 400 1 . . . . . 4.0 1.8 5.0 1 1 401 1 . . . . . 2.5 1.8 2.7 1 1 402 1 . . . . . 4.0 1.8 5.0 1 1 403 1 . . . . . 3.0 1.8 3.3 1 1 404 1 . . . . . 4.0 1.8 6.0 1 1 405 1 . . . . . 3.0 1.8 3.3 1 1 406 1 . . . . . 2.5 1.8 2.7 1 1 407 1 . . . . . 4.0 1.8 5.0 1 1 408 1 . . . . . 4.0 1.8 5.0 1 1 409 1 . . . . . 3.0 1.8 3.3 1 1 410 1 . . . . . 3.0 1.8 3.3 1 1 411 1 . . . . . 4.0 1.8 5.0 1 1 412 1 . . . . . 4.0 1.8 5.0 1 1 413 1 . . . . . 2.5 1.8 2.7 1 1 414 1 . . . . . 4.0 1.8 5.0 1 1 415 1 . . . . . 4.0 1.8 5.0 1 1 416 1 . . . . . 4.0 1.8 5.0 1 1 417 1 . . . . . 4.0 1.8 5.0 1 1 418 1 . . . . . 4.0 1.8 5.0 1 1 419 1 . . . . . 3.0 1.8 3.3 1 1 420 1 . . . . . 2.5 1.8 2.7 1 1 421 1 . . . . . 4.0 1.8 6.0 1 1 422 1 . . . . . 4.0 1.8 5.0 1 1 423 1 . . . . . 4.0 1.8 5.0 1 1 424 1 . . . . . 4.0 1.8 5.0 1 1 425 1 . . . . . 4.0 1.8 5.0 1 1 426 1 . . . . . 4.0 1.8 5.0 1 1 427 1 . . . . . 3.0 1.8 3.3 1 1 428 1 . . . . . 4.0 1.8 5.0 1 1 429 1 . . . . . 2.5 1.8 2.7 1 1 430 1 . . . . . 4.0 1.8 5.0 1 1 431 1 . . . . . 4.0 1.8 5.0 1 1 432 1 . . . . . 4.0 1.8 5.0 1 1 433 1 . . . . . 4.0 1.8 5.0 1 1 434 1 . . . . . 4.0 1.8 5.0 1 1 435 1 . . . . . 4.0 1.8 5.0 1 1 436 1 . . . . . 4.0 1.8 5.0 1 1 437 1 . . . . . 3.0 1.8 3.3 1 1 438 1 . . . . . 4.0 1.8 5.0 1 1 439 1 . . . . . 4.0 1.8 5.0 1 1 440 1 . . . . . 4.0 1.8 5.0 1 1 441 1 . . . . . 4.0 1.8 6.0 1 1 442 1 . . . . . 2.5 1.8 2.7 1 1 443 1 . . . . . 3.0 1.8 3.3 1 1 444 1 . . . . . 4.0 1.8 5.0 1 1 445 1 . . . . . 3.0 1.8 3.3 1 1 446 1 . . . . . 3.0 1.8 3.3 1 1 447 1 . . . . . 4.0 1.8 6.0 1 1 448 1 . . . . . 4.0 1.8 5.0 1 1 449 1 . . . . . 4.0 1.8 5.0 1 1 450 1 . . . . . 3.0 1.8 3.3 1 1 451 1 . . . . . 4.0 1.8 5.0 1 1 452 1 . . . . . 4.0 1.8 6.0 1 1 453 1 . . . . . 4.0 1.8 5.0 1 1 454 1 . . . . . 4.0 1.8 5.0 1 1 455 1 . . . . . 4.0 1.8 5.0 1 1 456 1 . . . . . 4.0 1.8 5.0 1 1 457 1 . . . . . 4.0 1.8 5.0 1 1 458 1 . . . . . 3.0 1.8 3.3 1 1 459 1 . . . . . 4.0 1.8 5.0 1 1 460 1 . . . . . 3.0 1.8 3.3 1 1 461 1 . . . . . 4.0 1.8 5.0 1 1 462 1 . . . . . 4.0 1.8 5.0 1 1 463 1 . . . . . 4.0 1.8 5.0 1 1 464 1 . . . . . 4.0 1.8 6.0 1 1 465 1 . . . . . 3.0 1.8 3.3 1 1 466 1 . . . . . 3.0 1.8 3.3 1 1 467 1 . . . . . 4.0 1.8 5.0 1 1 468 1 . . . . . 4.0 1.8 5.0 1 1 469 1 . . . . . 4.0 1.8 5.0 1 1 470 1 . . . . . 4.0 1.8 5.0 1 1 471 1 . . . . . 4.0 1.8 5.0 1 1 472 1 . . . . . 3.0 1.8 3.3 1 1 473 1 . . . . . 4.0 1.8 5.0 1 1 474 1 . . . . . 4.0 1.8 5.0 1 1 475 1 . . . . . 4.0 1.8 5.0 1 1 476 1 . . . . . 4.0 1.8 5.0 1 1 477 1 . . . . . 4.0 1.8 5.0 1 1 478 1 . . . . . 4.0 1.8 5.0 1 1 479 1 . . . . . 4.0 1.8 5.0 1 1 480 1 . . . . . 4.0 1.8 5.0 1 1 481 1 . . . . . 4.0 1.8 6.0 1 1 482 1 . . . . . 3.0 1.8 3.3 1 1 483 1 . . . . . 4.0 1.8 5.0 1 1 484 1 . . . . . 4.0 1.8 5.0 1 1 485 1 . . . . . 4.0 1.8 5.0 1 1 486 1 . . . . . 4.0 1.8 5.0 1 1 487 1 . . . . . 2.5 1.8 2.7 1 1 488 1 . . . . . 3.0 1.8 3.3 1 1 489 1 . . . . . 4.0 1.8 5.0 1 1 490 1 . . . . . 4.0 1.8 5.0 1 1 491 1 . . . . . 4.0 1.8 5.0 1 1 492 1 . . . . . 4.0 1.8 5.0 1 1 493 1 . . . . . 4.0 1.8 5.0 1 1 494 1 . . . . . 3.0 1.8 3.3 1 1 495 1 . . . . . 4.0 1.8 5.0 1 1 496 1 . . . . . 4.0 1.8 5.0 1 1 497 1 . . . . . 4.0 1.8 5.0 1 1 498 1 . . . . . 3.0 1.8 3.3 1 1 499 1 . . . . . 3.0 1.8 3.3 1 1 500 1 . . . . . 4.0 1.8 5.0 1 1 501 1 . . . . . 4.0 1.8 5.0 1 1 502 1 . . . . . 4.0 1.8 5.0 1 1 503 1 . . . . . 3.0 1.8 3.3 1 1 504 1 . . . . . 3.0 1.8 3.3 1 1 505 1 . . . . . 4.0 1.8 5.0 1 1 506 1 . . . . . 3.0 1.8 3.3 1 1 507 1 . . . . . 4.0 1.8 5.0 1 1 508 1 . . . . . 4.0 1.8 5.0 1 1 509 1 . . . . . 4.0 1.8 5.0 1 1 510 1 . . . . . 4.0 1.8 5.0 1 1 511 1 . . . . . 3.0 1.8 3.3 1 1 512 1 . . . . . 4.0 1.8 5.0 1 1 513 1 . . . . . 3.0 1.8 3.3 1 1 514 1 . . . . . 3.0 1.8 3.3 1 1 515 1 . . . . . 4.0 1.8 5.0 1 1 516 1 . . . . . 4.0 1.8 5.0 1 1 517 1 . . . . . 4.0 1.8 5.0 1 1 518 1 . . . . . 4.0 1.8 5.0 1 1 519 1 . . . . . 3.0 1.8 3.3 1 1 520 1 . . . . . 4.0 1.8 5.0 1 1 521 1 . . . . . 4.0 1.8 5.0 1 1 522 1 . . . . . 2.5 1.8 2.7 1 1 523 1 . . . . . 4.0 1.8 5.0 1 1 524 1 . . . . . 4.0 1.8 5.0 1 1 525 1 . . . . . 4.0 1.8 5.0 1 1 526 1 . . . . . 4.0 1.8 5.0 1 1 527 1 . . . . . 3.0 1.8 3.3 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 CYS C C 3.812 -8.368 0.144 1.00 . A A . 1 CYS C 1 1 1 2 1 1 1 CYS CA C 3.663 -9.106 -1.188 1.00 . A A . 1 CYS CA 1 1 1 3 1 1 1 CYS CB C 2.175 -9.299 -1.477 1.00 . A A . 1 CYS CB 1 1 1 4 1 1 1 CYS H1 H 5.326 -10.312 -0.899 1.00 . A A . 1 CYS H1 1 1 1 5 1 1 1 CYS H2 H 3.892 -10.981 -0.332 1.00 . A A . 1 CYS H2 1 1 1 6 1 1 1 CYS H3 H 4.207 -10.943 -1.983 1.00 . A A . 1 CYS H3 1 1 1 7 1 1 1 CYS HA H 4.115 -8.529 -1.980 1.00 . A A . 1 CYS HA 1 1 1 8 1 1 1 CYS HB2 H 1.688 -8.336 -1.501 1.00 . A A . 1 CYS HB2 1 1 1 9 1 1 1 CYS HB3 H 2.043 -9.794 -2.427 1.00 . A A . 1 CYS HB3 1 1 1 10 1 1 1 CYS N N 4.323 -10.438 -1.093 1.00 . A A . 1 CYS N 1 1 1 11 1 1 1 CYS O O 3.824 -8.974 1.196 1.00 . A A . 1 CYS O 1 1 1 12 1 1 1 CYS SG S 1.451 -10.313 -0.164 1.00 . A A . 1 CYS SG 1 1 1 13 1 1 2 GLY C C 2.665 -6.207 2.059 1.00 . A A . 2 GLY C 1 1 1 14 1 1 2 GLY CA C 4.043 -6.316 1.394 1.00 . A A . 2 GLY CA 1 1 1 15 1 1 2 GLY H H 3.899 -6.585 -0.741 1.00 . A A . 2 GLY H 1 1 1 16 1 1 2 GLY HA2 H 4.725 -6.839 2.052 1.00 . A A . 2 GLY HA2 1 1 1 17 1 1 2 GLY HA3 H 4.422 -5.325 1.195 1.00 . A A . 2 GLY HA3 1 1 1 18 1 1 2 GLY N N 3.914 -7.067 0.116 1.00 . A A . 2 GLY N 1 1 1 19 1 1 2 GLY O O 1.697 -5.814 1.440 1.00 . A A . 2 GLY O 1 1 1 20 1 1 3 SER C C 1.243 -5.166 4.850 1.00 . A A . 3 SER C 1 1 1 21 1 1 3 SER CA C 1.266 -6.460 4.037 1.00 . A A . 3 SER CA 1 1 1 22 1 1 3 SER CB C 1.122 -7.658 4.978 1.00 . A A . 3 SER CB 1 1 1 23 1 1 3 SER H H 3.372 -6.856 3.797 1.00 . A A . 3 SER H 1 1 1 24 1 1 3 SER HA H 0.454 -6.455 3.326 1.00 . A A . 3 SER HA 1 1 1 25 1 1 3 SER HB2 H 2.037 -7.797 5.529 1.00 . A A . 3 SER HB2 1 1 1 26 1 1 3 SER HB3 H 0.311 -7.476 5.672 1.00 . A A . 3 SER HB3 1 1 1 27 1 1 3 SER HG H -0.067 -9.062 4.342 1.00 . A A . 3 SER HG 1 1 1 28 1 1 3 SER N N 2.574 -6.547 3.319 1.00 . A A . 3 SER N 1 1 1 29 1 1 3 SER O O 2.116 -4.337 4.712 1.00 . A A . 3 SER O 1 1 1 30 1 1 3 SER OG O 0.855 -8.827 4.215 1.00 . A A . 3 SER OG 1 1 1 31 1 1 4 LYS C C 1.666 -3.503 7.055 1.00 . A A . 4 LYS C 1 1 1 32 1 1 4 LYS CA C 0.259 -3.712 6.502 1.00 . A A . 4 LYS CA 1 1 1 33 1 1 4 LYS CB C -0.724 -3.825 7.674 1.00 . A A . 4 LYS CB 1 1 1 34 1 1 4 LYS CD C -2.191 -2.537 9.243 1.00 . A A . 4 LYS CD 1 1 1 35 1 1 4 LYS CE C -2.629 -1.138 9.686 1.00 . A A . 4 LYS CE 1 1 1 36 1 1 4 LYS CG C -1.145 -2.422 8.131 1.00 . A A . 4 LYS CG 1 1 1 37 1 1 4 LYS H H -0.433 -5.645 5.824 1.00 . A A . 4 LYS H 1 1 1 38 1 1 4 LYS HA H -0.013 -2.880 5.868 1.00 . A A . 4 LYS HA 1 1 1 39 1 1 4 LYS HB2 H -1.595 -4.377 7.358 1.00 . A A . 4 LYS HB2 1 1 1 40 1 1 4 LYS HB3 H -0.252 -4.340 8.495 1.00 . A A . 4 LYS HB3 1 1 1 41 1 1 4 LYS HD2 H -3.048 -3.083 8.875 1.00 . A A . 4 LYS HD2 1 1 1 42 1 1 4 LYS HD3 H -1.764 -3.061 10.084 1.00 . A A . 4 LYS HD3 1 1 1 43 1 1 4 LYS HE2 H -3.063 -0.613 8.849 1.00 . A A . 4 LYS HE2 1 1 1 44 1 1 4 LYS HE3 H -3.360 -1.225 10.476 1.00 . A A . 4 LYS HE3 1 1 1 45 1 1 4 LYS HG2 H -0.283 -1.887 8.498 1.00 . A A . 4 LYS HG2 1 1 1 46 1 1 4 LYS HG3 H -1.572 -1.886 7.294 1.00 . A A . 4 LYS HG3 1 1 1 47 1 1 4 LYS HZ1 H -0.746 -0.298 9.437 1.00 . A A . 4 LYS HZ1 1 1 1 48 1 1 4 LYS HZ2 H -1.741 0.561 10.486 1.00 . A A . 4 LYS HZ2 1 1 1 49 1 1 4 LYS HZ3 H -1.032 -0.879 10.989 1.00 . A A . 4 LYS HZ3 1 1 1 50 1 1 4 LYS N N 0.271 -4.973 5.706 1.00 . A A . 4 LYS N 1 1 1 51 1 1 4 LYS NZ N -1.446 -0.380 10.188 1.00 . A A . 4 LYS NZ 1 1 1 52 1 1 4 LYS O O 2.245 -4.399 7.631 1.00 . A A . 4 LYS O 1 1 1 53 1 1 5 ARG C C 4.555 -3.092 6.651 1.00 . A A . 5 ARG C 1 1 1 54 1 1 5 ARG CA C 3.612 -2.117 7.359 1.00 . A A . 5 ARG CA 1 1 1 55 1 1 5 ARG CB C 3.661 -2.378 8.867 1.00 . A A . 5 ARG CB 1 1 1 56 1 1 5 ARG CD C 5.600 -2.913 10.362 1.00 . A A . 5 ARG CD 1 1 1 57 1 1 5 ARG CG C 4.979 -1.846 9.454 1.00 . A A . 5 ARG CG 1 1 1 58 1 1 5 ARG CZ C 4.460 -4.879 11.246 1.00 . A A . 5 ARG CZ 1 1 1 59 1 1 5 ARG H H 1.757 -1.640 6.373 1.00 . A A . 5 ARG H 1 1 1 60 1 1 5 ARG HA H 3.911 -1.100 7.153 1.00 . A A . 5 ARG HA 1 1 1 61 1 1 5 ARG HB2 H 2.828 -1.879 9.342 1.00 . A A . 5 ARG HB2 1 1 1 62 1 1 5 ARG HB3 H 3.590 -3.439 9.047 1.00 . A A . 5 ARG HB3 1 1 1 63 1 1 5 ARG HD2 H 6.112 -3.643 9.756 1.00 . A A . 5 ARG HD2 1 1 1 64 1 1 5 ARG HD3 H 6.306 -2.445 11.034 1.00 . A A . 5 ARG HD3 1 1 1 65 1 1 5 ARG HE H 3.815 -2.996 11.638 1.00 . A A . 5 ARG HE 1 1 1 66 1 1 5 ARG HG2 H 5.667 -1.613 8.653 1.00 . A A . 5 ARG HG2 1 1 1 67 1 1 5 ARG HG3 H 4.785 -0.955 10.031 1.00 . A A . 5 ARG HG3 1 1 1 68 1 1 5 ARG HH11 H 6.113 -5.204 10.163 1.00 . A A . 5 ARG HH11 1 1 1 69 1 1 5 ARG HH12 H 5.310 -6.621 10.745 1.00 . A A . 5 ARG HH12 1 1 1 70 1 1 5 ARG HH21 H 2.796 -4.869 12.358 1.00 . A A . 5 ARG HH21 1 1 1 71 1 1 5 ARG HH22 H 3.438 -6.433 11.984 1.00 . A A . 5 ARG HH22 1 1 1 72 1 1 5 ARG N N 2.231 -2.346 6.861 1.00 . A A . 5 ARG N 1 1 1 73 1 1 5 ARG NE N 4.520 -3.573 11.157 1.00 . A A . 5 ARG NE 1 1 1 74 1 1 5 ARG NH1 N 5.366 -5.625 10.673 1.00 . A A . 5 ARG NH1 1 1 1 75 1 1 5 ARG NH2 N 3.490 -5.438 11.916 1.00 . A A . 5 ARG NH2 1 1 1 76 1 1 5 ARG O O 4.936 -4.104 7.202 1.00 . A A . 5 ARG O 1 1 1 77 1 1 6 ALA C C 6.157 -3.148 3.311 1.00 . A A . 6 ALA C 1 1 1 78 1 1 6 ALA CA C 5.852 -3.717 4.699 1.00 . A A . 6 ALA CA 1 1 1 79 1 1 6 ALA CB C 5.195 -5.091 4.541 1.00 . A A . 6 ALA CB 1 1 1 80 1 1 6 ALA H H 4.615 -1.976 5.008 1.00 . A A . 6 ALA H 1 1 1 81 1 1 6 ALA HA H 6.772 -3.823 5.253 1.00 . A A . 6 ALA HA 1 1 1 82 1 1 6 ALA HB1 H 4.213 -4.974 4.111 1.00 . A A . 6 ALA HB1 1 1 1 83 1 1 6 ALA HB2 H 5.112 -5.567 5.505 1.00 . A A . 6 ALA HB2 1 1 1 84 1 1 6 ALA HB3 H 5.800 -5.704 3.889 1.00 . A A . 6 ALA HB3 1 1 1 85 1 1 6 ALA N N 4.936 -2.797 5.436 1.00 . A A . 6 ALA N 1 1 1 86 1 1 6 ALA O O 5.276 -2.757 2.570 1.00 . A A . 6 ALA O 1 1 1 87 1 1 7 TRP C C 7.125 -3.231 0.487 1.00 . A A . 7 TRP C 1 1 1 88 1 1 7 TRP CA C 7.847 -2.545 1.658 1.00 . A A . 7 TRP CA 1 1 1 89 1 1 7 TRP CB C 9.355 -2.762 1.515 1.00 . A A . 7 TRP CB 1 1 1 90 1 1 7 TRP CD1 C 10.170 -1.322 -0.389 1.00 . A A . 7 TRP CD1 1 1 1 91 1 1 7 TRP CD2 C 9.812 -3.453 -1.010 1.00 . A A . 7 TRP CD2 1 1 1 92 1 1 7 TRP CE2 C 10.261 -2.765 -2.162 1.00 . A A . 7 TRP CE2 1 1 1 93 1 1 7 TRP CE3 C 9.512 -4.821 -1.127 1.00 . A A . 7 TRP CE3 1 1 1 94 1 1 7 TRP CG C 9.767 -2.513 0.101 1.00 . A A . 7 TRP CG 1 1 1 95 1 1 7 TRP CH2 C 10.102 -4.774 -3.490 1.00 . A A . 7 TRP CH2 1 1 1 96 1 1 7 TRP CZ2 C 10.404 -3.413 -3.390 1.00 . A A . 7 TRP CZ2 1 1 1 97 1 1 7 TRP CZ3 C 9.656 -5.477 -2.361 1.00 . A A . 7 TRP CZ3 1 1 1 98 1 1 7 TRP H H 8.095 -3.405 3.606 1.00 . A A . 7 TRP H 1 1 1 99 1 1 7 TRP HA H 7.644 -1.491 1.633 1.00 . A A . 7 TRP HA 1 1 1 100 1 1 7 TRP HB2 H 9.878 -2.079 2.168 1.00 . A A . 7 TRP HB2 1 1 1 101 1 1 7 TRP HB3 H 9.599 -3.778 1.788 1.00 . A A . 7 TRP HB3 1 1 1 102 1 1 7 TRP HD1 H 10.251 -0.408 0.177 1.00 . A A . 7 TRP HD1 1 1 1 103 1 1 7 TRP HE1 H 10.784 -0.754 -2.322 1.00 . A A . 7 TRP HE1 1 1 1 104 1 1 7 TRP HE3 H 9.168 -5.372 -0.265 1.00 . A A . 7 TRP HE3 1 1 1 105 1 1 7 TRP HH2 H 10.210 -5.285 -4.436 1.00 . A A . 7 TRP HH2 1 1 1 106 1 1 7 TRP HZ2 H 10.747 -2.869 -4.256 1.00 . A A . 7 TRP HZ2 1 1 1 107 1 1 7 TRP HZ3 H 9.422 -6.529 -2.441 1.00 . A A . 7 TRP HZ3 1 1 1 108 1 1 7 TRP N N 7.415 -3.091 2.976 1.00 . A A . 7 TRP N 1 1 1 109 1 1 7 TRP NE1 N 10.467 -1.468 -1.732 1.00 . A A . 7 TRP NE1 1 1 1 110 1 1 7 TRP O O 6.975 -4.436 0.454 1.00 . A A . 7 TRP O 1 1 1 111 1 1 8 CYS C C 6.866 -2.651 -2.949 1.00 . A A . 8 CYS C 1 1 1 112 1 1 8 CYS CA C 6.056 -3.050 -1.710 1.00 . A A . 8 CYS CA 1 1 1 113 1 1 8 CYS CB C 4.627 -2.517 -1.877 1.00 . A A . 8 CYS CB 1 1 1 114 1 1 8 CYS H H 6.886 -1.493 -0.459 1.00 . A A . 8 CYS H 1 1 1 115 1 1 8 CYS HA H 6.031 -4.131 -1.625 1.00 . A A . 8 CYS HA 1 1 1 116 1 1 8 CYS HB2 H 4.424 -2.357 -2.926 1.00 . A A . 8 CYS HB2 1 1 1 117 1 1 8 CYS HB3 H 3.933 -3.241 -1.495 1.00 . A A . 8 CYS HB3 1 1 1 118 1 1 8 CYS N N 6.720 -2.460 -0.500 1.00 . A A . 8 CYS N 1 1 1 119 1 1 8 CYS O O 7.630 -1.707 -2.922 1.00 . A A . 8 CYS O 1 1 1 120 1 1 8 CYS SG S 4.429 -0.954 -0.995 1.00 . A A . 8 CYS SG 1 1 1 121 1 1 9 LYS C C 6.682 -1.935 -6.043 1.00 . A A . 9 LYS C 1 1 1 122 1 1 9 LYS CA C 7.450 -3.009 -5.272 1.00 . A A . 9 LYS CA 1 1 1 123 1 1 9 LYS CB C 7.568 -4.259 -6.146 1.00 . A A . 9 LYS CB 1 1 1 124 1 1 9 LYS CD C 8.890 -5.398 -7.922 1.00 . A A . 9 LYS CD 1 1 1 125 1 1 9 LYS CE C 10.237 -5.386 -8.652 1.00 . A A . 9 LYS CE 1 1 1 126 1 1 9 LYS CG C 8.701 -4.086 -7.155 1.00 . A A . 9 LYS CG 1 1 1 127 1 1 9 LYS H H 6.072 -4.108 -4.034 1.00 . A A . 9 LYS H 1 1 1 128 1 1 9 LYS HA H 8.435 -2.645 -5.017 1.00 . A A . 9 LYS HA 1 1 1 129 1 1 9 LYS HB2 H 7.773 -5.113 -5.518 1.00 . A A . 9 LYS HB2 1 1 1 130 1 1 9 LYS HB3 H 6.641 -4.418 -6.674 1.00 . A A . 9 LYS HB3 1 1 1 131 1 1 9 LYS HD2 H 8.852 -6.230 -7.238 1.00 . A A . 9 LYS HD2 1 1 1 132 1 1 9 LYS HD3 H 8.093 -5.496 -8.649 1.00 . A A . 9 LYS HD3 1 1 1 133 1 1 9 LYS HE2 H 10.078 -5.187 -9.702 1.00 . A A . 9 LYS HE2 1 1 1 134 1 1 9 LYS HE3 H 10.881 -4.627 -8.235 1.00 . A A . 9 LYS HE3 1 1 1 135 1 1 9 LYS HG2 H 8.455 -3.290 -7.844 1.00 . A A . 9 LYS HG2 1 1 1 136 1 1 9 LYS HG3 H 9.611 -3.843 -6.630 1.00 . A A . 9 LYS HG3 1 1 1 137 1 1 9 LYS HZ1 H 10.264 -7.445 -8.902 1.00 . A A . 9 LYS HZ1 1 1 1 138 1 1 9 LYS HZ2 H 11.783 -6.728 -8.983 1.00 . A A . 9 LYS HZ2 1 1 1 139 1 1 9 LYS HZ3 H 11.021 -6.919 -7.496 1.00 . A A . 9 LYS HZ3 1 1 1 140 1 1 9 LYS N N 6.698 -3.355 -4.033 1.00 . A A . 9 LYS N 1 1 1 141 1 1 9 LYS NZ N 10.875 -6.722 -8.496 1.00 . A A . 9 LYS NZ 1 1 1 142 1 1 9 LYS O O 7.241 -0.964 -6.516 1.00 . A A . 9 LYS O 1 1 1 143 1 1 10 GLU C C 3.180 -1.059 -6.276 1.00 . A A . 10 GLU C 1 1 1 144 1 1 10 GLU CA C 4.562 -1.145 -6.930 1.00 . A A . 10 GLU CA 1 1 1 145 1 1 10 GLU CB C 4.390 -1.630 -8.372 1.00 . A A . 10 GLU CB 1 1 1 146 1 1 10 GLU CD C 5.563 -2.207 -10.495 1.00 . A A . 10 GLU CD 1 1 1 147 1 1 10 GLU CG C 5.750 -1.690 -9.069 1.00 . A A . 10 GLU CG 1 1 1 148 1 1 10 GLU H H 4.958 -2.955 -5.767 1.00 . A A . 10 GLU H 1 1 1 149 1 1 10 GLU HA H 5.031 -0.173 -6.926 1.00 . A A . 10 GLU HA 1 1 1 150 1 1 10 GLU HB2 H 3.945 -2.614 -8.367 1.00 . A A . 10 GLU HB2 1 1 1 151 1 1 10 GLU HB3 H 3.746 -0.947 -8.905 1.00 . A A . 10 GLU HB3 1 1 1 152 1 1 10 GLU HG2 H 6.189 -0.704 -9.093 1.00 . A A . 10 GLU HG2 1 1 1 153 1 1 10 GLU HG3 H 6.402 -2.362 -8.530 1.00 . A A . 10 GLU HG3 1 1 1 154 1 1 10 GLU N N 5.399 -2.121 -6.182 1.00 . A A . 10 GLU N 1 1 1 155 1 1 10 GLU O O 2.959 -1.547 -5.185 1.00 . A A . 10 GLU O 1 1 1 156 1 1 10 GLU OE1 O 4.424 -2.390 -10.893 1.00 . A A . 10 GLU OE1 1 1 1 157 1 1 10 GLU OE2 O 6.561 -2.417 -11.164 1.00 . A A . 10 GLU OE2 1 1 1 158 1 1 11 LYS C C 0.232 -1.702 -6.242 1.00 . A A . 11 LYS C 1 1 1 159 1 1 11 LYS CA C 0.868 -0.315 -6.419 1.00 . A A . 11 LYS CA 1 1 1 160 1 1 11 LYS CB C 0.050 0.505 -7.422 1.00 . A A . 11 LYS CB 1 1 1 161 1 1 11 LYS CD C -1.521 1.466 -5.712 1.00 . A A . 11 LYS CD 1 1 1 162 1 1 11 LYS CE C -2.971 1.943 -5.538 1.00 . A A . 11 LYS CE 1 1 1 163 1 1 11 LYS CG C -1.413 0.615 -6.980 1.00 . A A . 11 LYS CG 1 1 1 164 1 1 11 LYS H H 2.469 -0.073 -7.833 1.00 . A A . 11 LYS H 1 1 1 165 1 1 11 LYS HA H 0.892 0.197 -5.470 1.00 . A A . 11 LYS HA 1 1 1 166 1 1 11 LYS HB2 H 0.472 1.498 -7.488 1.00 . A A . 11 LYS HB2 1 1 1 167 1 1 11 LYS HB3 H 0.095 0.032 -8.391 1.00 . A A . 11 LYS HB3 1 1 1 168 1 1 11 LYS HD2 H -1.233 0.873 -4.856 1.00 . A A . 11 LYS HD2 1 1 1 169 1 1 11 LYS HD3 H -0.869 2.323 -5.794 1.00 . A A . 11 LYS HD3 1 1 1 170 1 1 11 LYS HE2 H -3.047 2.980 -5.830 1.00 . A A . 11 LYS HE2 1 1 1 171 1 1 11 LYS HE3 H -3.628 1.348 -6.156 1.00 . A A . 11 LYS HE3 1 1 1 172 1 1 11 LYS HG2 H -1.987 1.077 -7.771 1.00 . A A . 11 LYS HG2 1 1 1 173 1 1 11 LYS HG3 H -1.807 -0.371 -6.783 1.00 . A A . 11 LYS HG3 1 1 1 174 1 1 11 LYS HZ1 H -2.750 2.372 -3.523 1.00 . A A . 11 LYS HZ1 1 1 1 175 1 1 11 LYS HZ2 H -4.344 2.121 -3.997 1.00 . A A . 11 LYS HZ2 1 1 1 176 1 1 11 LYS HZ3 H -3.300 0.813 -3.833 1.00 . A A . 11 LYS HZ3 1 1 1 177 1 1 11 LYS N N 2.254 -0.447 -6.954 1.00 . A A . 11 LYS N 1 1 1 178 1 1 11 LYS NZ N -3.372 1.801 -4.114 1.00 . A A . 11 LYS NZ 1 1 1 179 1 1 11 LYS O O -0.461 -1.956 -5.278 1.00 . A A . 11 LYS O 1 1 1 180 1 1 12 LYS C C 0.736 -4.892 -6.278 1.00 . A A . 12 LYS C 1 1 1 181 1 1 12 LYS CA C -0.169 -3.943 -7.076 1.00 . A A . 12 LYS CA 1 1 1 182 1 1 12 LYS CB C -0.347 -4.499 -8.487 1.00 . A A . 12 LYS CB 1 1 1 183 1 1 12 LYS CD C -2.308 -5.649 -9.554 1.00 . A A . 12 LYS CD 1 1 1 184 1 1 12 LYS CE C -3.717 -5.454 -10.119 1.00 . A A . 12 LYS CE 1 1 1 185 1 1 12 LYS CG C -1.799 -4.325 -8.979 1.00 . A A . 12 LYS CG 1 1 1 186 1 1 12 LYS H H 0.987 -2.364 -7.955 1.00 . A A . 12 LYS H 1 1 1 187 1 1 12 LYS HA H -1.120 -3.871 -6.602 1.00 . A A . 12 LYS HA 1 1 1 188 1 1 12 LYS HB2 H 0.307 -3.960 -9.138 1.00 . A A . 12 LYS HB2 1 1 1 189 1 1 12 LYS HB3 H -0.080 -5.539 -8.500 1.00 . A A . 12 LYS HB3 1 1 1 190 1 1 12 LYS HD2 H -1.645 -5.981 -10.340 1.00 . A A . 12 LYS HD2 1 1 1 191 1 1 12 LYS HD3 H -2.338 -6.392 -8.771 1.00 . A A . 12 LYS HD3 1 1 1 192 1 1 12 LYS HE2 H -4.159 -6.418 -10.324 1.00 . A A . 12 LYS HE2 1 1 1 193 1 1 12 LYS HE3 H -4.323 -4.926 -9.398 1.00 . A A . 12 LYS HE3 1 1 1 194 1 1 12 LYS HG2 H -2.435 -4.021 -8.162 1.00 . A A . 12 LYS HG2 1 1 1 195 1 1 12 LYS HG3 H -1.826 -3.570 -9.753 1.00 . A A . 12 LYS HG3 1 1 1 196 1 1 12 LYS HZ1 H -3.064 -5.165 -12.068 1.00 . A A . 12 LYS HZ1 1 1 1 197 1 1 12 LYS HZ2 H -4.590 -4.531 -11.759 1.00 . A A . 12 LYS HZ2 1 1 1 198 1 1 12 LYS HZ3 H -3.221 -3.743 -11.184 1.00 . A A . 12 LYS HZ3 1 1 1 199 1 1 12 LYS N N 0.442 -2.591 -7.175 1.00 . A A . 12 LYS N 1 1 1 200 1 1 12 LYS NZ N -3.642 -4.662 -11.380 1.00 . A A . 12 LYS NZ 1 1 1 201 1 1 12 LYS O O 0.404 -6.041 -6.071 1.00 . A A . 12 LYS O 1 1 1 202 1 1 13 ASP C C 2.433 -5.478 -3.644 1.00 . A A . 13 ASP C 1 1 1 203 1 1 13 ASP CA C 2.814 -5.353 -5.125 1.00 . A A . 13 ASP CA 1 1 1 204 1 1 13 ASP CB C 4.239 -4.830 -5.238 1.00 . A A . 13 ASP CB 1 1 1 205 1 1 13 ASP CG C 5.221 -5.934 -4.843 1.00 . A A . 13 ASP CG 1 1 1 206 1 1 13 ASP H H 2.158 -3.468 -6.049 1.00 . A A . 13 ASP H 1 1 1 207 1 1 13 ASP HA H 2.768 -6.334 -5.578 1.00 . A A . 13 ASP HA 1 1 1 208 1 1 13 ASP HB2 H 4.426 -4.524 -6.257 1.00 . A A . 13 ASP HB2 1 1 1 209 1 1 13 ASP HB3 H 4.362 -3.989 -4.575 1.00 . A A . 13 ASP HB3 1 1 1 210 1 1 13 ASP N N 1.888 -4.444 -5.865 1.00 . A A . 13 ASP N 1 1 1 211 1 1 13 ASP O O 3.046 -6.231 -2.915 1.00 . A A . 13 ASP O 1 1 1 212 1 1 13 ASP OD1 O 5.124 -7.013 -5.404 1.00 . A A . 13 ASP OD1 1 1 1 213 1 1 13 ASP OD2 O 6.053 -5.682 -3.988 1.00 . A A . 13 ASP OD2 1 1 1 214 1 1 14 CYS C C 0.105 -6.061 -1.587 1.00 . A A . 14 CYS C 1 1 1 215 1 1 14 CYS CA C 1.075 -4.891 -1.747 1.00 . A A . 14 CYS CA 1 1 1 216 1 1 14 CYS CB C 0.397 -3.601 -1.291 1.00 . A A . 14 CYS CB 1 1 1 217 1 1 14 CYS H H 0.940 -4.157 -3.746 1.00 . A A . 14 CYS H 1 1 1 218 1 1 14 CYS HA H 1.961 -5.065 -1.154 1.00 . A A . 14 CYS HA 1 1 1 219 1 1 14 CYS HB2 H -0.281 -3.266 -2.061 1.00 . A A . 14 CYS HB2 1 1 1 220 1 1 14 CYS HB3 H -0.151 -3.790 -0.401 1.00 . A A . 14 CYS HB3 1 1 1 221 1 1 14 CYS N N 1.442 -4.766 -3.174 1.00 . A A . 14 CYS N 1 1 1 222 1 1 14 CYS O O -0.704 -6.330 -2.453 1.00 . A A . 14 CYS O 1 1 1 223 1 1 14 CYS SG S 1.635 -2.314 -0.990 1.00 . A A . 14 CYS SG 1 1 1 224 1 1 15 CYS C C -2.152 -7.507 -0.520 1.00 . A A . 15 CYS C 1 1 1 225 1 1 15 CYS CA C -0.705 -7.925 -0.291 1.00 . A A . 15 CYS CA 1 1 1 226 1 1 15 CYS CB C -0.522 -8.430 1.130 1.00 . A A . 15 CYS CB 1 1 1 227 1 1 15 CYS H H 0.846 -6.559 0.191 1.00 . A A . 15 CYS H 1 1 1 228 1 1 15 CYS HA H -0.449 -8.709 -0.986 1.00 . A A . 15 CYS HA 1 1 1 229 1 1 15 CYS HB2 H -0.721 -7.633 1.826 1.00 . A A . 15 CYS HB2 1 1 1 230 1 1 15 CYS HB3 H -1.196 -9.232 1.305 1.00 . A A . 15 CYS HB3 1 1 1 231 1 1 15 CYS N N 0.187 -6.773 -0.495 1.00 . A A . 15 CYS N 1 1 1 232 1 1 15 CYS O O -2.488 -6.337 -0.519 1.00 . A A . 15 CYS O 1 1 1 233 1 1 15 CYS SG S 1.174 -9.010 1.353 1.00 . A A . 15 CYS SG 1 1 1 234 1 1 16 CYS C C -5.008 -7.347 0.181 1.00 . A A . 16 CYS C 1 1 1 235 1 1 16 CYS CA C -4.426 -8.131 -0.995 1.00 . A A . 16 CYS CA 1 1 1 236 1 1 16 CYS CB C -5.209 -9.430 -1.196 1.00 . A A . 16 CYS CB 1 1 1 237 1 1 16 CYS H H -2.719 -9.394 -0.751 1.00 . A A . 16 CYS H 1 1 1 238 1 1 16 CYS HA H -4.493 -7.532 -1.871 1.00 . A A . 16 CYS HA 1 1 1 239 1 1 16 CYS HB2 H -4.650 -10.251 -0.774 1.00 . A A . 16 CYS HB2 1 1 1 240 1 1 16 CYS HB3 H -6.147 -9.350 -0.693 1.00 . A A . 16 CYS HB3 1 1 1 241 1 1 16 CYS N N -3.010 -8.459 -0.739 1.00 . A A . 16 CYS N 1 1 1 242 1 1 16 CYS O O -4.772 -7.656 1.334 1.00 . A A . 16 CYS O 1 1 1 243 1 1 16 CYS SG S -5.501 -9.753 -2.962 1.00 . A A . 16 CYS SG 1 1 1 244 1 1 17 GLY C C -5.392 -4.443 1.423 1.00 . A A . 17 GLY C 1 1 1 245 1 1 17 GLY CA C -6.386 -5.507 0.959 1.00 . A A . 17 GLY CA 1 1 1 246 1 1 17 GLY H H -5.941 -6.110 -1.057 1.00 . A A . 17 GLY H 1 1 1 247 1 1 17 GLY HA2 H -7.276 -5.026 0.579 1.00 . A A . 17 GLY HA2 1 1 1 248 1 1 17 GLY HA3 H -6.647 -6.139 1.794 1.00 . A A . 17 GLY HA3 1 1 1 249 1 1 17 GLY N N -5.772 -6.331 -0.116 1.00 . A A . 17 GLY N 1 1 1 250 1 1 17 GLY O O -5.651 -3.712 2.358 1.00 . A A . 17 GLY O 1 1 1 251 1 1 18 TYR C C -2.741 -2.547 0.010 1.00 . A A . 18 TYR C 1 1 1 252 1 1 18 TYR CA C -3.246 -3.336 1.216 1.00 . A A . 18 TYR CA 1 1 1 253 1 1 18 TYR CB C -2.082 -4.055 1.892 1.00 . A A . 18 TYR CB 1 1 1 254 1 1 18 TYR CD1 C -2.865 -4.274 4.282 1.00 . A A . 18 TYR CD1 1 1 1 255 1 1 18 TYR CD2 C -2.877 -6.238 2.860 1.00 . A A . 18 TYR CD2 1 1 1 256 1 1 18 TYR CE1 C -3.368 -5.041 5.342 1.00 . A A . 18 TYR CE1 1 1 1 257 1 1 18 TYR CE2 C -3.377 -7.004 3.919 1.00 . A A . 18 TYR CE2 1 1 1 258 1 1 18 TYR CG C -2.619 -4.875 3.042 1.00 . A A . 18 TYR CG 1 1 1 259 1 1 18 TYR CZ C -3.623 -6.405 5.160 1.00 . A A . 18 TYR CZ 1 1 1 260 1 1 18 TYR H H -4.047 -4.982 -0.010 1.00 . A A . 18 TYR H 1 1 1 261 1 1 18 TYR HA H -3.697 -2.652 1.920 1.00 . A A . 18 TYR HA 1 1 1 262 1 1 18 TYR HB2 H -1.593 -4.704 1.180 1.00 . A A . 18 TYR HB2 1 1 1 263 1 1 18 TYR HB3 H -1.379 -3.330 2.267 1.00 . A A . 18 TYR HB3 1 1 1 264 1 1 18 TYR HD1 H -2.666 -3.222 4.423 1.00 . A A . 18 TYR HD1 1 1 1 265 1 1 18 TYR HD2 H -2.693 -6.698 1.902 1.00 . A A . 18 TYR HD2 1 1 1 266 1 1 18 TYR HE1 H -3.562 -4.579 6.298 1.00 . A A . 18 TYR HE1 1 1 1 267 1 1 18 TYR HE2 H -3.574 -8.056 3.778 1.00 . A A . 18 TYR HE2 1 1 1 268 1 1 18 TYR HH H -3.609 -7.975 6.246 1.00 . A A . 18 TYR HH 1 1 1 269 1 1 18 TYR N N -4.250 -4.353 0.789 1.00 . A A . 18 TYR N 1 1 1 270 1 1 18 TYR O O -2.547 -3.086 -1.070 1.00 . A A . 18 TYR O 1 1 1 271 1 1 18 TYR OH O -4.116 -7.161 6.204 1.00 . A A . 18 TYR OH 1 1 1 272 1 1 19 ASN C C -0.552 -0.106 -0.743 1.00 . A A . 19 ASN C 1 1 1 273 1 1 19 ASN CA C -2.039 -0.414 -0.955 1.00 . A A . 19 ASN CA 1 1 1 274 1 1 19 ASN CB C -2.818 0.903 -0.950 1.00 . A A . 19 ASN CB 1 1 1 275 1 1 19 ASN CG C -2.356 1.748 0.239 1.00 . A A . 19 ASN CG 1 1 1 276 1 1 19 ASN H H -2.697 -0.863 1.045 1.00 . A A . 19 ASN H 1 1 1 277 1 1 19 ASN HA H -2.181 -0.921 -1.898 1.00 . A A . 19 ASN HA 1 1 1 278 1 1 19 ASN HB2 H -2.636 1.437 -1.868 1.00 . A A . 19 ASN HB2 1 1 1 279 1 1 19 ASN HB3 H -3.873 0.696 -0.851 1.00 . A A . 19 ASN HB3 1 1 1 280 1 1 19 ASN HD21 H -2.779 3.483 -0.629 1.00 . A A . 19 ASN HD21 1 1 1 281 1 1 19 ASN HD22 H -2.145 3.594 0.939 1.00 . A A . 19 ASN HD22 1 1 1 282 1 1 19 ASN N N -2.529 -1.267 0.170 1.00 . A A . 19 ASN N 1 1 1 283 1 1 19 ASN ND2 N -2.432 3.050 0.176 1.00 . A A . 19 ASN ND2 1 1 1 284 1 1 19 ASN O O -0.027 -0.313 0.327 1.00 . A A . 19 ASN O 1 1 1 285 1 1 19 ASN OD1 O -1.893 1.216 1.226 1.00 . A A . 19 ASN OD1 1 1 1 286 1 1 20 CYS C C 1.729 2.255 -1.402 1.00 . A A . 20 CYS C 1 1 1 287 1 1 20 CYS CA C 1.574 0.745 -1.579 1.00 . A A . 20 CYS CA 1 1 1 288 1 1 20 CYS CB C 2.352 0.298 -2.819 1.00 . A A . 20 CYS CB 1 1 1 289 1 1 20 CYS H H -0.325 0.579 -2.600 1.00 . A A . 20 CYS H 1 1 1 290 1 1 20 CYS HA H 1.975 0.247 -0.706 1.00 . A A . 20 CYS HA 1 1 1 291 1 1 20 CYS HB2 H 2.080 -0.716 -3.071 1.00 . A A . 20 CYS HB2 1 1 1 292 1 1 20 CYS HB3 H 2.115 0.948 -3.645 1.00 . A A . 20 CYS HB3 1 1 1 293 1 1 20 CYS N N 0.123 0.405 -1.744 1.00 . A A . 20 CYS N 1 1 1 294 1 1 20 CYS O O 1.199 3.039 -2.166 1.00 . A A . 20 CYS O 1 1 1 295 1 1 20 CYS SG S 4.128 0.382 -2.481 1.00 . A A . 20 CYS SG 1 1 1 296 1 1 21 VAL C C 4.177 4.429 -0.270 1.00 . A A . 21 VAL C 1 1 1 297 1 1 21 VAL CA C 2.677 4.125 -0.165 1.00 . A A . 21 VAL CA 1 1 1 298 1 1 21 VAL CB C 2.159 4.492 1.239 1.00 . A A . 21 VAL CB 1 1 1 299 1 1 21 VAL CG1 C 3.108 5.484 1.923 1.00 . A A . 21 VAL CG1 1 1 1 300 1 1 21 VAL CG2 C 0.775 5.137 1.118 1.00 . A A . 21 VAL CG2 1 1 1 301 1 1 21 VAL H H 2.886 2.011 0.192 1.00 . A A . 21 VAL H 1 1 1 302 1 1 21 VAL HA H 2.138 4.696 -0.910 1.00 . A A . 21 VAL HA 1 1 1 303 1 1 21 VAL HB H 2.085 3.596 1.838 1.00 . A A . 21 VAL HB 1 1 1 304 1 1 21 VAL HG11 H 3.387 6.260 1.226 1.00 . A A . 21 VAL HG11 1 1 1 305 1 1 21 VAL HG12 H 3.993 4.965 2.257 1.00 . A A . 21 VAL HG12 1 1 1 306 1 1 21 VAL HG13 H 2.611 5.927 2.776 1.00 . A A . 21 VAL HG13 1 1 1 307 1 1 21 VAL HG21 H 0.363 5.296 2.103 1.00 . A A . 21 VAL HG21 1 1 1 308 1 1 21 VAL HG22 H 0.121 4.486 0.555 1.00 . A A . 21 VAL HG22 1 1 1 309 1 1 21 VAL HG23 H 0.864 6.085 0.608 1.00 . A A . 21 VAL HG23 1 1 1 310 1 1 21 VAL N N 2.464 2.667 -0.402 1.00 . A A . 21 VAL N 1 1 1 311 1 1 21 VAL O O 4.990 3.789 0.362 1.00 . A A . 21 VAL O 1 1 1 312 1 1 22 TYR C C 6.437 6.590 0.030 1.00 . A A . 22 TYR C 1 1 1 313 1 1 22 TYR CA C 5.997 5.741 -1.194 1.00 . A A . 22 TYR CA 1 1 1 314 1 1 22 TYR CB C 6.205 6.521 -2.498 1.00 . A A . 22 TYR CB 1 1 1 315 1 1 22 TYR CD1 C 8.677 5.982 -2.524 1.00 . A A . 22 TYR CD1 1 1 1 316 1 1 22 TYR CD2 C 7.976 8.273 -2.901 1.00 . A A . 22 TYR CD2 1 1 1 317 1 1 22 TYR CE1 C 10.015 6.371 -2.661 1.00 . A A . 22 TYR CE1 1 1 1 318 1 1 22 TYR CE2 C 9.313 8.660 -3.038 1.00 . A A . 22 TYR CE2 1 1 1 319 1 1 22 TYR CG C 7.655 6.933 -2.644 1.00 . A A . 22 TYR CG 1 1 1 320 1 1 22 TYR CZ C 10.333 7.709 -2.917 1.00 . A A . 22 TYR CZ 1 1 1 321 1 1 22 TYR H H 3.845 5.935 -1.588 1.00 . A A . 22 TYR H 1 1 1 322 1 1 22 TYR HA H 6.574 4.830 -1.221 1.00 . A A . 22 TYR HA 1 1 1 323 1 1 22 TYR HB2 H 5.925 5.899 -3.335 1.00 . A A . 22 TYR HB2 1 1 1 324 1 1 22 TYR HB3 H 5.581 7.404 -2.488 1.00 . A A . 22 TYR HB3 1 1 1 325 1 1 22 TYR HD1 H 8.437 4.950 -2.329 1.00 . A A . 22 TYR HD1 1 1 1 326 1 1 22 TYR HD2 H 7.189 9.008 -2.994 1.00 . A A . 22 TYR HD2 1 1 1 327 1 1 22 TYR HE1 H 10.802 5.637 -2.567 1.00 . A A . 22 TYR HE1 1 1 1 328 1 1 22 TYR HE2 H 9.559 9.693 -3.238 1.00 . A A . 22 TYR HE2 1 1 1 329 1 1 22 TYR HH H 12.044 7.563 -3.750 1.00 . A A . 22 TYR HH 1 1 1 330 1 1 22 TYR N N 4.550 5.402 -1.059 1.00 . A A . 22 TYR N 1 1 1 331 1 1 22 TYR O O 5.879 7.634 0.273 1.00 . A A . 22 TYR O 1 1 1 332 1 1 22 TYR OH O 11.652 8.091 -3.052 1.00 . A A . 22 TYR OH 1 1 1 333 1 1 23 ALA C C 9.165 7.704 1.575 1.00 . A A . 23 ALA C 1 1 1 334 1 1 23 ALA CA C 7.900 6.916 1.920 1.00 . A A . 23 ALA CA 1 1 1 335 1 1 23 ALA CB C 8.207 5.953 3.066 1.00 . A A . 23 ALA CB 1 1 1 336 1 1 23 ALA H H 7.862 5.293 0.499 1.00 . A A . 23 ALA H 1 1 1 337 1 1 23 ALA HA H 7.127 7.603 2.231 1.00 . A A . 23 ALA HA 1 1 1 338 1 1 23 ALA HB1 H 7.282 5.603 3.499 1.00 . A A . 23 ALA HB1 1 1 1 339 1 1 23 ALA HB2 H 8.785 6.467 3.819 1.00 . A A . 23 ALA HB2 1 1 1 340 1 1 23 ALA HB3 H 8.771 5.113 2.692 1.00 . A A . 23 ALA HB3 1 1 1 341 1 1 23 ALA N N 7.431 6.143 0.731 1.00 . A A . 23 ALA N 1 1 1 342 1 1 23 ALA O O 10.252 7.356 1.989 1.00 . A A . 23 ALA O 1 1 1 343 1 1 24 TRP C C 10.984 9.979 1.755 1.00 . A A . 24 TRP C 1 1 1 344 1 1 24 TRP CA C 10.239 9.569 0.478 1.00 . A A . 24 TRP CA 1 1 1 345 1 1 24 TRP CB C 9.813 10.815 -0.297 1.00 . A A . 24 TRP CB 1 1 1 346 1 1 24 TRP CD1 C 7.769 11.670 0.916 1.00 . A A . 24 TRP CD1 1 1 1 347 1 1 24 TRP CD2 C 9.599 12.914 1.320 1.00 . A A . 24 TRP CD2 1 1 1 348 1 1 24 TRP CE2 C 8.540 13.503 2.048 1.00 . A A . 24 TRP CE2 1 1 1 349 1 1 24 TRP CE3 C 10.872 13.505 1.402 1.00 . A A . 24 TRP CE3 1 1 1 350 1 1 24 TRP CG C 9.083 11.753 0.608 1.00 . A A . 24 TRP CG 1 1 1 351 1 1 24 TRP CH2 C 10.080 15.217 2.903 1.00 . A A . 24 TRP CH2 1 1 1 352 1 1 24 TRP CZ2 C 8.736 14.641 2.831 1.00 . A A . 24 TRP CZ2 1 1 1 353 1 1 24 TRP CZ3 C 11.074 14.651 2.190 1.00 . A A . 24 TRP CZ3 1 1 1 354 1 1 24 TRP H H 8.151 9.036 0.512 1.00 . A A . 24 TRP H 1 1 1 355 1 1 24 TRP HA H 10.895 8.972 -0.138 1.00 . A A . 24 TRP HA 1 1 1 356 1 1 24 TRP HB2 H 10.689 11.308 -0.692 1.00 . A A . 24 TRP HB2 1 1 1 357 1 1 24 TRP HB3 H 9.167 10.526 -1.111 1.00 . A A . 24 TRP HB3 1 1 1 358 1 1 24 TRP HD1 H 7.085 10.915 0.555 1.00 . A A . 24 TRP HD1 1 1 1 359 1 1 24 TRP HE1 H 6.553 12.880 2.140 1.00 . A A . 24 TRP HE1 1 1 1 360 1 1 24 TRP HE3 H 11.701 13.076 0.857 1.00 . A A . 24 TRP HE3 1 1 1 361 1 1 24 TRP HH2 H 10.170 16.098 3.507 1.00 . A A . 24 TRP HH2 1 1 1 362 1 1 24 TRP HZ2 H 7.912 15.074 3.378 1.00 . A A . 24 TRP HZ2 1 1 1 363 1 1 24 TRP HZ3 H 12.056 15.098 2.246 1.00 . A A . 24 TRP HZ3 1 1 1 364 1 1 24 TRP N N 9.037 8.764 0.832 1.00 . A A . 24 TRP N 1 1 1 365 1 1 24 TRP NE1 N 7.444 12.711 1.768 1.00 . A A . 24 TRP NE1 1 1 1 366 1 1 24 TRP O O 12.196 10.039 1.780 1.00 . A A . 24 TRP O 1 1 1 367 1 1 25 TYR C C 11.944 9.584 4.492 1.00 . A A . 25 TYR C 1 1 1 368 1 1 25 TYR CA C 10.955 10.674 4.075 1.00 . A A . 25 TYR CA 1 1 1 369 1 1 25 TYR CB C 9.920 10.907 5.189 1.00 . A A . 25 TYR CB 1 1 1 370 1 1 25 TYR CD1 C 7.640 10.579 4.166 1.00 . A A . 25 TYR CD1 1 1 1 371 1 1 25 TYR CD2 C 8.575 8.795 5.512 1.00 . A A . 25 TYR CD2 1 1 1 372 1 1 25 TYR CE1 C 6.487 9.816 3.951 1.00 . A A . 25 TYR CE1 1 1 1 373 1 1 25 TYR CE2 C 7.421 8.029 5.296 1.00 . A A . 25 TYR CE2 1 1 1 374 1 1 25 TYR CG C 8.685 10.070 4.945 1.00 . A A . 25 TYR CG 1 1 1 375 1 1 25 TYR CZ C 6.378 8.541 4.516 1.00 . A A . 25 TYR CZ 1 1 1 376 1 1 25 TYR H H 9.243 10.208 2.779 1.00 . A A . 25 TYR H 1 1 1 377 1 1 25 TYR HA H 11.499 11.590 3.898 1.00 . A A . 25 TYR HA 1 1 1 378 1 1 25 TYR HB2 H 10.350 10.638 6.143 1.00 . A A . 25 TYR HB2 1 1 1 379 1 1 25 TYR HB3 H 9.644 11.951 5.205 1.00 . A A . 25 TYR HB3 1 1 1 380 1 1 25 TYR HD1 H 7.724 11.562 3.733 1.00 . A A . 25 TYR HD1 1 1 1 381 1 1 25 TYR HD2 H 9.380 8.400 6.114 1.00 . A A . 25 TYR HD2 1 1 1 382 1 1 25 TYR HE1 H 5.682 10.211 3.349 1.00 . A A . 25 TYR HE1 1 1 1 383 1 1 25 TYR HE2 H 7.338 7.044 5.732 1.00 . A A . 25 TYR HE2 1 1 1 384 1 1 25 TYR HH H 4.536 8.382 4.037 1.00 . A A . 25 TYR HH 1 1 1 385 1 1 25 TYR N N 10.271 10.265 2.815 1.00 . A A . 25 TYR N 1 1 1 386 1 1 25 TYR O O 12.930 9.846 5.153 1.00 . A A . 25 TYR O 1 1 1 387 1 1 25 TYR OH O 5.240 7.787 4.303 1.00 . A A . 25 TYR OH 1 1 1 388 1 1 26 ASN C C 12.747 6.304 3.261 1.00 . A A . 26 ASN C 1 1 1 389 1 1 26 ASN CA C 12.634 7.259 4.452 1.00 . A A . 26 ASN CA 1 1 1 390 1 1 26 ASN CB C 12.105 6.502 5.673 1.00 . A A . 26 ASN CB 1 1 1 391 1 1 26 ASN CG C 10.792 5.806 5.319 1.00 . A A . 26 ASN CG 1 1 1 392 1 1 26 ASN H H 10.906 8.176 3.555 1.00 . A A . 26 ASN H 1 1 1 393 1 1 26 ASN HA H 13.611 7.667 4.677 1.00 . A A . 26 ASN HA 1 1 1 394 1 1 26 ASN HB2 H 12.833 5.765 5.982 1.00 . A A . 26 ASN HB2 1 1 1 395 1 1 26 ASN HB3 H 11.935 7.197 6.481 1.00 . A A . 26 ASN HB3 1 1 1 396 1 1 26 ASN HD21 H 11.616 4.651 3.930 1.00 . A A . 26 ASN HD21 1 1 1 397 1 1 26 ASN HD22 H 9.948 4.435 4.156 1.00 . A A . 26 ASN HD22 1 1 1 398 1 1 26 ASN N N 11.700 8.365 4.097 1.00 . A A . 26 ASN N 1 1 1 399 1 1 26 ASN ND2 N 10.784 4.888 4.391 1.00 . A A . 26 ASN ND2 1 1 1 400 1 1 26 ASN O O 12.985 5.123 3.419 1.00 . A A . 26 ASN O 1 1 1 401 1 1 26 ASN OD1 O 9.762 6.099 5.892 1.00 . A A . 26 ASN OD1 1 1 1 402 1 1 27 GLN C C 11.809 4.693 1.078 1.00 . A A . 27 GLN C 1 1 1 403 1 1 27 GLN CA C 12.664 5.942 0.864 1.00 . A A . 27 GLN CA 1 1 1 404 1 1 27 GLN CB C 14.124 5.532 0.640 1.00 . A A . 27 GLN CB 1 1 1 405 1 1 27 GLN CD C 15.302 7.714 0.982 1.00 . A A . 27 GLN CD 1 1 1 406 1 1 27 GLN CG C 14.884 6.668 -0.054 1.00 . A A . 27 GLN CG 1 1 1 407 1 1 27 GLN H H 12.380 7.768 1.970 1.00 . A A . 27 GLN H 1 1 1 408 1 1 27 GLN HA H 12.300 6.480 0.030 1.00 . A A . 27 GLN HA 1 1 1 409 1 1 27 GLN HB2 H 14.586 5.319 1.595 1.00 . A A . 27 GLN HB2 1 1 1 410 1 1 27 GLN HB3 H 14.159 4.648 0.021 1.00 . A A . 27 GLN HB3 1 1 1 411 1 1 27 GLN HE21 H 13.927 9.031 0.417 1.00 . A A . 27 GLN HE21 1 1 1 412 1 1 27 GLN HE22 H 14.928 9.530 1.693 1.00 . A A . 27 GLN HE22 1 1 1 413 1 1 27 GLN HG2 H 15.764 6.268 -0.536 1.00 . A A . 27 GLN HG2 1 1 1 414 1 1 27 GLN HG3 H 14.250 7.133 -0.794 1.00 . A A . 27 GLN HG3 1 1 1 415 1 1 27 GLN N N 12.573 6.812 2.071 1.00 . A A . 27 GLN N 1 1 1 416 1 1 27 GLN NE2 N 14.666 8.852 1.035 1.00 . A A . 27 GLN NE2 1 1 1 417 1 1 27 GLN O O 11.066 4.596 2.034 1.00 . A A . 27 GLN O 1 1 1 418 1 1 27 GLN OE1 O 16.214 7.491 1.754 1.00 . A A . 27 GLN OE1 1 1 1 419 1 1 28 GLN C C 9.619 2.813 0.403 1.00 . A A . 28 GLN C 1 1 1 420 1 1 28 GLN CA C 11.113 2.483 0.352 1.00 . A A . 28 GLN CA 1 1 1 421 1 1 28 GLN CB C 11.525 1.779 1.649 1.00 . A A . 28 GLN CB 1 1 1 422 1 1 28 GLN CD C 12.809 -0.368 1.441 1.00 . A A . 28 GLN CD 1 1 1 423 1 1 28 GLN CG C 12.922 1.159 1.485 1.00 . A A . 28 GLN CG 1 1 1 424 1 1 28 GLN H H 12.522 3.833 -0.564 1.00 . A A . 28 GLN H 1 1 1 425 1 1 28 GLN HA H 11.307 1.829 -0.486 1.00 . A A . 28 GLN HA 1 1 1 426 1 1 28 GLN HB2 H 11.544 2.497 2.456 1.00 . A A . 28 GLN HB2 1 1 1 427 1 1 28 GLN HB3 H 10.811 1.004 1.879 1.00 . A A . 28 GLN HB3 1 1 1 428 1 1 28 GLN HE21 H 13.242 -0.489 -0.492 1.00 . A A . 28 GLN HE21 1 1 1 429 1 1 28 GLN HE22 H 12.945 -1.972 0.280 1.00 . A A . 28 GLN HE22 1 1 1 430 1 1 28 GLN HG2 H 13.371 1.513 0.567 1.00 . A A . 28 GLN HG2 1 1 1 431 1 1 28 GLN HG3 H 13.543 1.447 2.320 1.00 . A A . 28 GLN HG3 1 1 1 432 1 1 28 GLN N N 11.912 3.734 0.197 1.00 . A A . 28 GLN N 1 1 1 433 1 1 28 GLN NE2 N 13.016 -0.994 0.316 1.00 . A A . 28 GLN NE2 1 1 1 434 1 1 28 GLN O O 9.226 3.894 0.794 1.00 . A A . 28 GLN O 1 1 1 435 1 1 28 GLN OE1 O 12.524 -0.994 2.442 1.00 . A A . 28 GLN OE1 1 1 1 436 1 1 29 SER C C 6.681 1.180 1.078 1.00 . A A . 29 SER C 1 1 1 437 1 1 29 SER CA C 7.308 2.124 0.053 1.00 . A A . 29 SER CA 1 1 1 438 1 1 29 SER CB C 6.711 1.852 -1.324 1.00 . A A . 29 SER CB 1 1 1 439 1 1 29 SER H H 9.127 1.017 -0.286 1.00 . A A . 29 SER H 1 1 1 440 1 1 29 SER HA H 7.114 3.148 0.338 1.00 . A A . 29 SER HA 1 1 1 441 1 1 29 SER HB2 H 6.855 0.816 -1.583 1.00 . A A . 29 SER HB2 1 1 1 442 1 1 29 SER HB3 H 5.655 2.072 -1.299 1.00 . A A . 29 SER HB3 1 1 1 443 1 1 29 SER HG H 7.727 3.430 -1.828 1.00 . A A . 29 SER HG 1 1 1 444 1 1 29 SER N N 8.783 1.883 0.018 1.00 . A A . 29 SER N 1 1 1 445 1 1 29 SER O O 6.975 0.070 1.094 1.00 . A A . 29 SER O 1 1 1 446 1 1 29 SER OG O 7.359 2.670 -2.286 1.00 . A A . 29 SER OG 1 1 1 447 1 1 30 SER C C 3.734 0.554 2.652 1.00 . A A . 30 SER C 1 1 1 448 1 1 30 SER CA C 5.209 0.806 2.971 1.00 . A A . 30 SER CA 1 1 1 449 1 1 30 SER CB C 5.328 1.482 4.338 1.00 . A A . 30 SER CB 1 1 1 450 1 1 30 SER H H 5.606 2.612 1.916 1.00 . A A . 30 SER H 1 1 1 451 1 1 30 SER HA H 5.731 -0.122 2.991 1.00 . A A . 30 SER HA 1 1 1 452 1 1 30 SER HB2 H 5.433 0.734 5.106 1.00 . A A . 30 SER HB2 1 1 1 453 1 1 30 SER HB3 H 6.197 2.126 4.344 1.00 . A A . 30 SER HB3 1 1 1 454 1 1 30 SER HG H 4.122 2.958 3.946 1.00 . A A . 30 SER HG 1 1 1 455 1 1 30 SER N N 5.829 1.677 1.940 1.00 . A A . 30 SER N 1 1 1 456 1 1 30 SER O O 2.960 1.470 2.453 1.00 . A A . 30 SER O 1 1 1 457 1 1 30 SER OG O 4.155 2.246 4.589 1.00 . A A . 30 SER OG 1 1 1 458 1 1 31 CYS C C 1.030 -0.659 3.508 1.00 . A A . 31 CYS C 1 1 1 459 1 1 31 CYS CA C 1.918 -1.027 2.318 1.00 . A A . 31 CYS CA 1 1 1 460 1 1 31 CYS CB C 1.790 -2.530 2.058 1.00 . A A . 31 CYS CB 1 1 1 461 1 1 31 CYS H H 3.985 -1.410 2.783 1.00 . A A . 31 CYS H 1 1 1 462 1 1 31 CYS HA H 1.593 -0.479 1.451 1.00 . A A . 31 CYS HA 1 1 1 463 1 1 31 CYS HB2 H 2.182 -3.069 2.904 1.00 . A A . 31 CYS HB2 1 1 1 464 1 1 31 CYS HB3 H 0.752 -2.782 1.924 1.00 . A A . 31 CYS HB3 1 1 1 465 1 1 31 CYS N N 3.341 -0.691 2.612 1.00 . A A . 31 CYS N 1 1 1 466 1 1 31 CYS O O 1.441 -0.723 4.650 1.00 . A A . 31 CYS O 1 1 1 467 1 1 31 CYS SG S 2.719 -2.997 0.579 1.00 . A A . 31 CYS SG 1 1 1 468 1 1 32 GLU C C -2.551 -0.369 3.916 1.00 . A A . 32 GLU C 1 1 1 469 1 1 32 GLU CA C -1.136 0.052 4.346 1.00 . A A . 32 GLU CA 1 1 1 470 1 1 32 GLU CB C -1.046 1.560 4.640 1.00 . A A . 32 GLU CB 1 1 1 471 1 1 32 GLU CD C -2.167 3.774 4.457 1.00 . A A . 32 GLU CD 1 1 1 472 1 1 32 GLU CG C -2.312 2.275 4.186 1.00 . A A . 32 GLU CG 1 1 1 473 1 1 32 GLU H H -0.514 -0.249 2.266 1.00 . A A . 32 GLU H 1 1 1 474 1 1 32 GLU HA H -0.865 -0.502 5.232 1.00 . A A . 32 GLU HA 1 1 1 475 1 1 32 GLU HB2 H -0.916 1.709 5.702 1.00 . A A . 32 GLU HB2 1 1 1 476 1 1 32 GLU HB3 H -0.197 1.973 4.116 1.00 . A A . 32 GLU HB3 1 1 1 477 1 1 32 GLU HG2 H -2.455 2.107 3.130 1.00 . A A . 32 GLU HG2 1 1 1 478 1 1 32 GLU HG3 H -3.159 1.891 4.734 1.00 . A A . 32 GLU HG3 1 1 1 479 1 1 32 GLU N N -0.195 -0.296 3.244 1.00 . A A . 32 GLU N 1 1 1 480 1 1 32 GLU O O -2.865 -0.399 2.745 1.00 . A A . 32 GLU O 1 1 1 481 1 1 32 GLU OE1 O -1.157 4.331 4.061 1.00 . A A . 32 GLU OE1 1 1 1 482 1 1 32 GLU OE2 O -3.067 4.337 5.056 1.00 . A A . 32 GLU OE2 1 1 1 483 1 1 33 ARG C C -5.475 -0.184 3.571 1.00 . A A . 33 ARG C 1 1 1 484 1 1 33 ARG CA C -4.767 -1.189 4.484 1.00 . A A . 33 ARG CA 1 1 1 485 1 1 33 ARG CB C -5.602 -1.392 5.753 1.00 . A A . 33 ARG CB 1 1 1 486 1 1 33 ARG CD C -7.390 -0.173 7.005 1.00 . A A . 33 ARG CD 1 1 1 487 1 1 33 ARG CG C -6.014 -0.036 6.354 1.00 . A A . 33 ARG CG 1 1 1 488 1 1 33 ARG CZ C -9.019 1.293 8.022 1.00 . A A . 33 ARG CZ 1 1 1 489 1 1 33 ARG H H -3.110 -0.725 5.787 1.00 . A A . 33 ARG H 1 1 1 490 1 1 33 ARG HA H -4.694 -2.132 3.967 1.00 . A A . 33 ARG HA 1 1 1 491 1 1 33 ARG HB2 H -6.488 -1.960 5.507 1.00 . A A . 33 ARG HB2 1 1 1 492 1 1 33 ARG HB3 H -5.019 -1.940 6.478 1.00 . A A . 33 ARG HB3 1 1 1 493 1 1 33 ARG HD2 H -8.113 -0.460 6.257 1.00 . A A . 33 ARG HD2 1 1 1 494 1 1 33 ARG HD3 H -7.349 -0.929 7.771 1.00 . A A . 33 ARG HD3 1 1 1 495 1 1 33 ARG HE H -7.108 1.889 7.699 1.00 . A A . 33 ARG HE 1 1 1 496 1 1 33 ARG HG2 H -5.292 0.261 7.102 1.00 . A A . 33 ARG HG2 1 1 1 497 1 1 33 ARG HG3 H -6.060 0.717 5.585 1.00 . A A . 33 ARG HG3 1 1 1 498 1 1 33 ARG HH11 H -9.623 -0.524 7.438 1.00 . A A . 33 ARG HH11 1 1 1 499 1 1 33 ARG HH12 H -10.833 0.463 8.188 1.00 . A A . 33 ARG HH12 1 1 1 500 1 1 33 ARG HH21 H -8.703 3.154 8.688 1.00 . A A . 33 ARG HH21 1 1 1 501 1 1 33 ARG HH22 H -10.311 2.545 8.897 1.00 . A A . 33 ARG HH22 1 1 1 502 1 1 33 ARG N N -3.391 -0.730 4.848 1.00 . A A . 33 ARG N 1 1 1 503 1 1 33 ARG NE N -7.794 1.125 7.608 1.00 . A A . 33 ARG NE 1 1 1 504 1 1 33 ARG NH1 N -9.894 0.336 7.872 1.00 . A A . 33 ARG NH1 1 1 1 505 1 1 33 ARG NH2 N -9.372 2.418 8.579 1.00 . A A . 33 ARG NH2 1 1 1 506 1 1 33 ARG O O -4.865 0.698 3.007 1.00 . A A . 33 ARG O 1 1 1 507 1 1 34 LYS C C -8.360 -0.308 1.543 1.00 . A A . 34 LYS C 1 1 1 508 1 1 34 LYS CA C -7.646 0.532 2.600 1.00 . A A . 34 LYS CA 1 1 1 509 1 1 34 LYS CB C -6.867 1.650 1.907 1.00 . A A . 34 LYS CB 1 1 1 510 1 1 34 LYS CD C -5.937 3.949 2.181 1.00 . A A . 34 LYS CD 1 1 1 511 1 1 34 LYS CE C -5.740 5.100 3.166 1.00 . A A . 34 LYS CE 1 1 1 512 1 1 34 LYS CG C -6.525 2.747 2.919 1.00 . A A . 34 LYS CG 1 1 1 513 1 1 34 LYS H H -7.200 -1.080 3.926 1.00 . A A . 34 LYS H 1 1 1 514 1 1 34 LYS HA H -8.397 0.978 3.237 1.00 . A A . 34 LYS HA 1 1 1 515 1 1 34 LYS HB2 H -5.964 1.245 1.483 1.00 . A A . 34 LYS HB2 1 1 1 516 1 1 34 LYS HB3 H -7.472 2.070 1.118 1.00 . A A . 34 LYS HB3 1 1 1 517 1 1 34 LYS HD2 H -4.986 3.678 1.747 1.00 . A A . 34 LYS HD2 1 1 1 518 1 1 34 LYS HD3 H -6.614 4.259 1.401 1.00 . A A . 34 LYS HD3 1 1 1 519 1 1 34 LYS HE2 H -6.686 5.341 3.631 1.00 . A A . 34 LYS HE2 1 1 1 520 1 1 34 LYS HE3 H -5.029 4.809 3.925 1.00 . A A . 34 LYS HE3 1 1 1 521 1 1 34 LYS HG2 H -7.419 3.047 3.443 1.00 . A A . 34 LYS HG2 1 1 1 522 1 1 34 LYS HG3 H -5.802 2.378 3.627 1.00 . A A . 34 LYS HG3 1 1 1 523 1 1 34 LYS HZ1 H -5.908 6.572 1.714 1.00 . A A . 34 LYS HZ1 1 1 1 524 1 1 34 LYS HZ2 H -5.095 7.071 3.099 1.00 . A A . 34 LYS HZ2 1 1 1 525 1 1 34 LYS HZ3 H -4.329 6.064 1.991 1.00 . A A . 34 LYS HZ3 1 1 1 526 1 1 34 LYS N N -6.777 -0.348 3.446 1.00 . A A . 34 LYS N 1 1 1 527 1 1 34 LYS NZ N -5.229 6.294 2.437 1.00 . A A . 34 LYS NZ 1 1 1 528 1 1 34 LYS O O -7.771 -0.741 0.572 1.00 . A A . 34 LYS O 1 1 1 529 1 1 35 TRP C C -11.441 -0.399 0.070 1.00 . A A . 35 TRP C 1 1 1 530 1 1 35 TRP CA C -10.422 -1.318 0.734 1.00 . A A . 35 TRP CA 1 1 1 531 1 1 35 TRP CB C -11.174 -2.443 1.455 1.00 . A A . 35 TRP CB 1 1 1 532 1 1 35 TRP CD1 C -8.892 -3.390 2.032 1.00 . A A . 35 TRP CD1 1 1 1 533 1 1 35 TRP CD2 C -10.520 -4.162 3.380 1.00 . A A . 35 TRP CD2 1 1 1 534 1 1 35 TRP CE2 C -9.315 -4.764 3.813 1.00 . A A . 35 TRP CE2 1 1 1 535 1 1 35 TRP CE3 C -11.706 -4.484 4.069 1.00 . A A . 35 TRP CE3 1 1 1 536 1 1 35 TRP CG C -10.225 -3.292 2.246 1.00 . A A . 35 TRP CG 1 1 1 537 1 1 35 TRP CH2 C -10.471 -5.960 5.561 1.00 . A A . 35 TRP CH2 1 1 1 538 1 1 35 TRP CZ2 C -9.285 -5.651 4.889 1.00 . A A . 35 TRP CZ2 1 1 1 539 1 1 35 TRP CZ3 C -11.678 -5.378 5.153 1.00 . A A . 35 TRP CZ3 1 1 1 540 1 1 35 TRP H H -10.081 -0.150 2.512 1.00 . A A . 35 TRP H 1 1 1 541 1 1 35 TRP HA H -9.779 -1.730 -0.010 1.00 . A A . 35 TRP HA 1 1 1 542 1 1 35 TRP HB2 H -11.904 -2.016 2.125 1.00 . A A . 35 TRP HB2 1 1 1 543 1 1 35 TRP HB3 H -11.678 -3.053 0.725 1.00 . A A . 35 TRP HB3 1 1 1 544 1 1 35 TRP HD1 H -8.337 -2.876 1.263 1.00 . A A . 35 TRP HD1 1 1 1 545 1 1 35 TRP HE1 H -7.406 -4.508 3.023 1.00 . A A . 35 TRP HE1 1 1 1 546 1 1 35 TRP HE3 H -12.641 -4.041 3.763 1.00 . A A . 35 TRP HE3 1 1 1 547 1 1 35 TRP HH2 H -10.456 -6.647 6.396 1.00 . A A . 35 TRP HH2 1 1 1 548 1 1 35 TRP HZ2 H -8.352 -6.097 5.200 1.00 . A A . 35 TRP HZ2 1 1 1 549 1 1 35 TRP HZ3 H -12.593 -5.619 5.675 1.00 . A A . 35 TRP HZ3 1 1 1 550 1 1 35 TRP N N -9.636 -0.522 1.722 1.00 . A A . 35 TRP N 1 1 1 551 1 1 35 TRP NE1 N -8.353 -4.263 2.961 1.00 . A A . 35 TRP NE1 1 1 1 552 1 1 35 TRP O O -11.298 0.060 -1.067 1.00 . A A . 35 TRP O 1 1 1 553 1 1 36 LYS C C -12.915 2.210 -0.028 1.00 . A A . 36 LYS C 1 1 1 554 1 1 36 LYS CA C -13.514 0.843 0.274 1.00 . A A . 36 LYS CA 1 1 1 555 1 1 36 LYS CB C -14.620 0.984 1.322 1.00 . A A . 36 LYS CB 1 1 1 556 1 1 36 LYS CD C -16.826 2.032 1.843 1.00 . A A . 36 LYS CD 1 1 1 557 1 1 36 LYS CE C -17.893 3.008 1.345 1.00 . A A . 36 LYS CE 1 1 1 558 1 1 36 LYS CG C -15.734 1.883 0.782 1.00 . A A . 36 LYS CG 1 1 1 559 1 1 36 LYS H H -12.513 -0.409 1.704 1.00 . A A . 36 LYS H 1 1 1 560 1 1 36 LYS HA H -13.921 0.431 -0.626 1.00 . A A . 36 LYS HA 1 1 1 561 1 1 36 LYS HB2 H -15.026 0.080 1.549 1.00 . A A . 36 LYS HB2 1 1 1 562 1 1 36 LYS HB3 H -14.212 1.420 2.221 1.00 . A A . 36 LYS HB3 1 1 1 563 1 1 36 LYS HD2 H -17.277 1.069 2.032 1.00 . A A . 36 LYS HD2 1 1 1 564 1 1 36 LYS HD3 H -16.392 2.411 2.756 1.00 . A A . 36 LYS HD3 1 1 1 565 1 1 36 LYS HE2 H -18.489 3.345 2.181 1.00 . A A . 36 LYS HE2 1 1 1 566 1 1 36 LYS HE3 H -17.417 3.857 0.878 1.00 . A A . 36 LYS HE3 1 1 1 567 1 1 36 LYS HG2 H -15.328 2.855 0.543 1.00 . A A . 36 LYS HG2 1 1 1 568 1 1 36 LYS HG3 H -16.156 1.439 -0.106 1.00 . A A . 36 LYS HG3 1 1 1 569 1 1 36 LYS HZ1 H -19.228 1.516 0.802 1.00 . A A . 36 LYS HZ1 1 1 1 570 1 1 36 LYS HZ2 H -19.490 2.982 0.021 1.00 . A A . 36 LYS HZ2 1 1 1 571 1 1 36 LYS HZ3 H -18.205 2.000 -0.441 1.00 . A A . 36 LYS HZ3 1 1 1 572 1 1 36 LYS N N -12.455 -0.066 0.794 1.00 . A A . 36 LYS N 1 1 1 573 1 1 36 LYS NZ N -18.772 2.324 0.355 1.00 . A A . 36 LYS NZ 1 1 1 574 1 1 36 LYS O O -13.359 2.926 -0.902 1.00 . A A . 36 LYS O 1 1 1 575 1 1 37 TYR C C -10.353 3.879 -0.688 1.00 . A A . 37 TYR C 1 1 1 576 1 1 37 TYR CA C -11.281 3.905 0.527 1.00 . A A . 37 TYR CA 1 1 1 577 1 1 37 TYR CB C -10.468 4.256 1.776 1.00 . A A . 37 TYR CB 1 1 1 578 1 1 37 TYR CD1 C -11.813 3.305 3.684 1.00 . A A . 37 TYR CD1 1 1 1 579 1 1 37 TYR CD2 C -11.855 5.700 3.306 1.00 . A A . 37 TYR CD2 1 1 1 580 1 1 37 TYR CE1 C -12.680 3.462 4.772 1.00 . A A . 37 TYR CE1 1 1 1 581 1 1 37 TYR CE2 C -12.722 5.856 4.394 1.00 . A A . 37 TYR CE2 1 1 1 582 1 1 37 TYR CG C -11.400 4.424 2.951 1.00 . A A . 37 TYR CG 1 1 1 583 1 1 37 TYR CZ C -13.135 4.737 5.127 1.00 . A A . 37 TYR CZ 1 1 1 584 1 1 37 TYR H H -11.578 1.938 1.451 1.00 . A A . 37 TYR H 1 1 1 585 1 1 37 TYR HA H -12.044 4.654 0.377 1.00 . A A . 37 TYR HA 1 1 1 586 1 1 37 TYR HB2 H -9.766 3.463 1.982 1.00 . A A . 37 TYR HB2 1 1 1 587 1 1 37 TYR HB3 H -9.931 5.178 1.608 1.00 . A A . 37 TYR HB3 1 1 1 588 1 1 37 TYR HD1 H -11.462 2.321 3.410 1.00 . A A . 37 TYR HD1 1 1 1 589 1 1 37 TYR HD2 H -11.536 6.564 2.741 1.00 . A A . 37 TYR HD2 1 1 1 590 1 1 37 TYR HE1 H -12.998 2.598 5.337 1.00 . A A . 37 TYR HE1 1 1 1 591 1 1 37 TYR HE2 H -13.073 6.840 4.668 1.00 . A A . 37 TYR HE2 1 1 1 592 1 1 37 TYR HH H -14.148 5.831 6.319 1.00 . A A . 37 TYR HH 1 1 1 593 1 1 37 TYR N N -11.925 2.573 0.718 1.00 . A A . 37 TYR N 1 1 1 594 1 1 37 TYR O O -9.560 4.779 -0.885 1.00 . A A . 37 TYR O 1 1 1 595 1 1 37 TYR OH O -13.990 4.891 6.199 1.00 . A A . 37 TYR OH 1 1 1 596 1 1 38 LEU C C -10.386 2.476 -3.944 1.00 . A A . 38 LEU C 1 1 1 597 1 1 38 LEU CA C -9.554 2.794 -2.696 1.00 . A A . 38 LEU CA 1 1 1 598 1 1 38 LEU CB C -8.478 1.720 -2.473 1.00 . A A . 38 LEU CB 1 1 1 599 1 1 38 LEU CD1 C -6.754 3.530 -2.130 1.00 . A A . 38 LEU CD1 1 1 1 600 1 1 38 LEU CD2 C -6.042 1.176 -2.622 1.00 . A A . 38 LEU CD2 1 1 1 601 1 1 38 LEU CG C -7.101 2.247 -2.907 1.00 . A A . 38 LEU CG 1 1 1 602 1 1 38 LEU H H -11.067 2.154 -1.342 1.00 . A A . 38 LEU H 1 1 1 603 1 1 38 LEU HA H -9.095 3.745 -2.826 1.00 . A A . 38 LEU HA 1 1 1 604 1 1 38 LEU HB2 H -8.448 1.458 -1.426 1.00 . A A . 38 LEU HB2 1 1 1 605 1 1 38 LEU HB3 H -8.720 0.841 -3.053 1.00 . A A . 38 LEU HB3 1 1 1 606 1 1 38 LEU HD11 H -7.382 3.609 -1.255 1.00 . A A . 38 LEU HD11 1 1 1 607 1 1 38 LEU HD12 H -6.914 4.388 -2.765 1.00 . A A . 38 LEU HD12 1 1 1 608 1 1 38 LEU HD13 H -5.716 3.503 -1.826 1.00 . A A . 38 LEU HD13 1 1 1 609 1 1 38 LEU HD21 H -5.069 1.641 -2.564 1.00 . A A . 38 LEU HD21 1 1 1 610 1 1 38 LEU HD22 H -6.044 0.447 -3.418 1.00 . A A . 38 LEU HD22 1 1 1 611 1 1 38 LEU HD23 H -6.262 0.687 -1.685 1.00 . A A . 38 LEU HD23 1 1 1 612 1 1 38 LEU HG H -7.119 2.464 -3.965 1.00 . A A . 38 LEU HG 1 1 1 613 1 1 38 LEU N N -10.435 2.862 -1.507 1.00 . A A . 38 LEU N 1 1 1 614 1 1 38 LEU O O -11.369 1.764 -3.888 1.00 . A A . 38 LEU O 1 1 1 615 1 1 39 PHE C C -10.829 1.266 -6.605 1.00 . A A . 39 PHE C 1 1 1 616 1 1 39 PHE CA C -10.757 2.769 -6.331 1.00 . A A . 39 PHE CA 1 1 1 617 1 1 39 PHE CB C -10.044 3.467 -7.496 1.00 . A A . 39 PHE CB 1 1 1 618 1 1 39 PHE CD1 C -10.687 5.668 -6.435 1.00 . A A . 39 PHE CD1 1 1 1 619 1 1 39 PHE CD2 C -10.721 5.484 -8.852 1.00 . A A . 39 PHE CD2 1 1 1 620 1 1 39 PHE CE1 C -11.099 7.002 -6.531 1.00 . A A . 39 PHE CE1 1 1 1 621 1 1 39 PHE CE2 C -11.135 6.818 -8.947 1.00 . A A . 39 PHE CE2 1 1 1 622 1 1 39 PHE CG C -10.497 4.908 -7.595 1.00 . A A . 39 PHE CG 1 1 1 623 1 1 39 PHE CZ C -11.324 7.577 -7.787 1.00 . A A . 39 PHE CZ 1 1 1 624 1 1 39 PHE H H -9.205 3.592 -5.083 1.00 . A A . 39 PHE H 1 1 1 625 1 1 39 PHE HA H -11.757 3.165 -6.231 1.00 . A A . 39 PHE HA 1 1 1 626 1 1 39 PHE HB2 H -8.976 3.439 -7.332 1.00 . A A . 39 PHE HB2 1 1 1 627 1 1 39 PHE HB3 H -10.276 2.956 -8.420 1.00 . A A . 39 PHE HB3 1 1 1 628 1 1 39 PHE HD1 H -10.514 5.227 -5.466 1.00 . A A . 39 PHE HD1 1 1 1 629 1 1 39 PHE HD2 H -10.575 4.899 -9.749 1.00 . A A . 39 PHE HD2 1 1 1 630 1 1 39 PHE HE1 H -11.246 7.587 -5.635 1.00 . A A . 39 PHE HE1 1 1 1 631 1 1 39 PHE HE2 H -11.309 7.262 -9.917 1.00 . A A . 39 PHE HE2 1 1 1 632 1 1 39 PHE HZ H -11.644 8.606 -7.860 1.00 . A A . 39 PHE HZ 1 1 1 633 1 1 39 PHE N N -9.998 3.016 -5.069 1.00 . A A . 39 PHE N 1 1 1 634 1 1 39 PHE O O -9.890 0.536 -6.361 1.00 . A A . 39 PHE O 1 1 1 635 1 1 40 THR C C -11.493 -1.474 -6.271 1.00 . A A . 40 THR C 1 1 1 636 1 1 40 THR CA C -12.075 -0.653 -7.416 1.00 . A A . 40 THR CA 1 1 1 637 1 1 40 THR CB C -11.321 -0.981 -8.706 1.00 . A A . 40 THR CB 1 1 1 638 1 1 40 THR CG2 C -11.933 -0.206 -9.875 1.00 . A A . 40 THR CG2 1 1 1 639 1 1 40 THR H H -12.681 1.411 -7.311 1.00 . A A . 40 THR H 1 1 1 640 1 1 40 THR HA H -13.111 -0.903 -7.538 1.00 . A A . 40 THR HA 1 1 1 641 1 1 40 THR HB H -11.392 -2.040 -8.906 1.00 . A A . 40 THR HB 1 1 1 642 1 1 40 THR HG1 H -9.599 -0.437 -9.431 1.00 . A A . 40 THR HG1 1 1 1 643 1 1 40 THR HG21 H -11.231 -0.177 -10.695 1.00 . A A . 40 THR HG21 1 1 1 644 1 1 40 THR HG22 H -12.161 0.802 -9.560 1.00 . A A . 40 THR HG22 1 1 1 645 1 1 40 THR HG23 H -12.841 -0.697 -10.196 1.00 . A A . 40 THR HG23 1 1 1 646 1 1 40 THR N N -11.939 0.802 -7.118 1.00 . A A . 40 THR N 1 1 1 647 1 1 40 THR O O -12.148 -1.748 -5.285 1.00 . A A . 40 THR O 1 1 1 648 1 1 40 THR OG1 O -9.955 -0.618 -8.558 1.00 . A A . 40 THR OG1 1 1 1 649 1 1 41 GLY C C -9.103 -3.986 -5.971 1.00 . A A . 41 GLY C 1 1 1 650 1 1 41 GLY CA C -9.602 -2.682 -5.352 1.00 . A A . 41 GLY CA 1 1 1 651 1 1 41 GLY H H -9.779 -1.630 -7.223 1.00 . A A . 41 GLY H 1 1 1 652 1 1 41 GLY HA2 H -8.767 -2.131 -4.944 1.00 . A A . 41 GLY HA2 1 1 1 653 1 1 41 GLY HA3 H -10.306 -2.908 -4.563 1.00 . A A . 41 GLY HA3 1 1 1 654 1 1 41 GLY N N -10.266 -1.868 -6.410 1.00 . A A . 41 GLY N 1 1 1 655 1 1 41 GLY O O -8.501 -3.986 -7.024 1.00 . A A . 41 GLY O 1 1 1 656 1 1 42 GLU C C -7.375 -6.305 -6.146 1.00 . A A . 42 GLU C 1 1 1 657 1 1 42 GLU CA C -8.884 -6.396 -5.887 1.00 . A A . 42 GLU CA 1 1 1 658 1 1 42 GLU CB C -9.679 -6.714 -7.174 1.00 . A A . 42 GLU CB 1 1 1 659 1 1 42 GLU CD C -9.588 -7.174 -9.626 1.00 . A A . 42 GLU CD 1 1 1 660 1 1 42 GLU CG C -8.776 -6.714 -8.414 1.00 . A A . 42 GLU CG 1 1 1 661 1 1 42 GLU H H -9.864 -5.072 -4.437 1.00 . A A . 42 GLU H 1 1 1 662 1 1 42 GLU HA H -9.065 -7.173 -5.156 1.00 . A A . 42 GLU HA 1 1 1 663 1 1 42 GLU HB2 H -10.139 -7.687 -7.075 1.00 . A A . 42 GLU HB2 1 1 1 664 1 1 42 GLU HB3 H -10.454 -5.971 -7.301 1.00 . A A . 42 GLU HB3 1 1 1 665 1 1 42 GLU HG2 H -8.403 -5.717 -8.590 1.00 . A A . 42 GLU HG2 1 1 1 666 1 1 42 GLU HG3 H -7.950 -7.392 -8.263 1.00 . A A . 42 GLU HG3 1 1 1 667 1 1 42 GLU N N -9.349 -5.096 -5.329 1.00 . A A . 42 GLU N 1 1 1 668 1 1 42 GLU O O -6.914 -5.562 -6.988 1.00 . A A . 42 GLU O 1 1 1 669 1 1 42 GLU OE1 O -10.742 -6.792 -9.721 1.00 . A A . 42 GLU OE1 1 1 1 670 1 1 42 GLU OE2 O -9.042 -7.902 -10.439 1.00 . A A . 42 GLU OE2 1 1 1 671 1 1 43 CYS C C -4.652 -8.073 -6.528 1.00 . A A . 43 CYS C 1 1 1 672 1 1 43 CYS CA C -5.122 -6.979 -5.565 1.00 . A A . 43 CYS CA 1 1 1 673 1 1 43 CYS CB C -4.484 -7.164 -4.186 1.00 . A A . 43 CYS CB 1 1 1 674 1 1 43 CYS H H -6.991 -7.613 -4.709 1.00 . A A . 43 CYS H 1 1 1 675 1 1 43 CYS HXT H -3.283 -8.633 -7.761 1.00 . A A . 43 CYS HXT 1 1 1 676 1 1 43 CYS HA H -4.844 -6.013 -5.957 1.00 . A A . 43 CYS HA 1 1 1 677 1 1 43 CYS HB2 H -3.632 -6.517 -4.087 1.00 . A A . 43 CYS HB2 1 1 1 678 1 1 43 CYS HB3 H -5.215 -6.903 -3.438 1.00 . A A . 43 CYS HB3 1 1 1 679 1 1 43 CYS N N -6.601 -7.038 -5.400 1.00 . A A . 43 CYS N 1 1 1 680 1 1 43 CYS O O -5.357 -9.071 -6.659 1.00 . A A . 43 CYS O 1 1 1 681 1 1 43 CYS OXT O -3.459 -7.878 -7.194 1.00 . A A . 43 CYS OXT 1 1 1 682 1 1 43 CYS SG S -3.962 -8.884 -3.942 1.00 . A A . 43 CYS SG 1 1 2 683 1 1 1 CYS C C 3.795 -8.172 0.141 1.00 . A A . 1 CYS C 1 1 2 684 1 1 1 CYS CA C 3.608 -9.060 -1.088 1.00 . A A . 1 CYS CA 1 1 2 685 1 1 1 CYS CB C 2.166 -9.579 -1.081 1.00 . A A . 1 CYS CB 1 1 2 686 1 1 1 CYS H1 H 5.527 -9.851 -1.034 1.00 . A A . 1 CYS H1 1 1 2 687 1 1 1 CYS H2 H 4.396 -10.744 -0.165 1.00 . A A . 1 CYS H2 1 1 2 688 1 1 1 CYS H3 H 4.415 -10.817 -1.844 1.00 . A A . 1 CYS H3 1 1 2 689 1 1 1 CYS HA H 3.783 -8.487 -1.985 1.00 . A A . 1 CYS HA 1 1 2 690 1 1 1 CYS HB2 H 1.498 -8.752 -1.226 1.00 . A A . 1 CYS HB2 1 1 2 691 1 1 1 CYS HB3 H 2.022 -10.297 -1.872 1.00 . A A . 1 CYS HB3 1 1 2 692 1 1 1 CYS N N 4.560 -10.206 -1.029 1.00 . A A . 1 CYS N 1 1 2 693 1 1 1 CYS O O 3.884 -8.651 1.253 1.00 . A A . 1 CYS O 1 1 2 694 1 1 1 CYS SG S 1.832 -10.357 0.520 1.00 . A A . 1 CYS SG 1 1 2 695 1 1 2 GLY C C 2.647 -5.979 1.903 1.00 . A A . 2 GLY C 1 1 2 696 1 1 2 GLY CA C 3.972 -5.984 1.141 1.00 . A A . 2 GLY CA 1 1 2 697 1 1 2 GLY H H 3.733 -6.500 -0.938 1.00 . A A . 2 GLY H 1 1 2 698 1 1 2 GLY HA2 H 4.763 -6.350 1.780 1.00 . A A . 2 GLY HA2 1 1 2 699 1 1 2 GLY HA3 H 4.202 -4.981 0.812 1.00 . A A . 2 GLY HA3 1 1 2 700 1 1 2 GLY N N 3.826 -6.878 -0.038 1.00 . A A . 2 GLY N 1 1 2 701 1 1 2 GLY O O 1.625 -5.593 1.378 1.00 . A A . 2 GLY O 1 1 2 702 1 1 3 SER C C 1.323 -5.217 4.822 1.00 . A A . 3 SER C 1 1 2 703 1 1 3 SER CA C 1.375 -6.442 3.915 1.00 . A A . 3 SER CA 1 1 2 704 1 1 3 SER CB C 1.333 -7.709 4.768 1.00 . A A . 3 SER CB 1 1 2 705 1 1 3 SER H H 3.480 -6.731 3.539 1.00 . A A . 3 SER H 1 1 2 706 1 1 3 SER HA H 0.530 -6.430 3.243 1.00 . A A . 3 SER HA 1 1 2 707 1 1 3 SER HB2 H 2.253 -7.806 5.319 1.00 . A A . 3 SER HB2 1 1 2 708 1 1 3 SER HB3 H 0.507 -7.646 5.465 1.00 . A A . 3 SER HB3 1 1 2 709 1 1 3 SER HG H 1.602 -9.588 4.343 1.00 . A A . 3 SER HG 1 1 2 710 1 1 3 SER N N 2.647 -6.415 3.131 1.00 . A A . 3 SER N 1 1 2 711 1 1 3 SER O O 2.029 -4.250 4.610 1.00 . A A . 3 SER O 1 1 2 712 1 1 3 SER OG O 1.173 -8.840 3.922 1.00 . A A . 3 SER OG 1 1 2 713 1 1 4 LYS C C 1.853 -3.756 7.208 1.00 . A A . 4 LYS C 1 1 2 714 1 1 4 LYS CA C 0.434 -4.065 6.740 1.00 . A A . 4 LYS CA 1 1 2 715 1 1 4 LYS CB C -0.454 -4.397 7.947 1.00 . A A . 4 LYS CB 1 1 2 716 1 1 4 LYS CD C -2.078 -3.462 9.604 1.00 . A A . 4 LYS CD 1 1 2 717 1 1 4 LYS CE C -2.759 -2.184 10.097 1.00 . A A . 4 LYS CE 1 1 2 718 1 1 4 LYS CG C -1.064 -3.111 8.513 1.00 . A A . 4 LYS CG 1 1 2 719 1 1 4 LYS H H -0.060 -6.026 6.000 1.00 . A A . 4 LYS H 1 1 2 720 1 1 4 LYS HA H 0.033 -3.217 6.206 1.00 . A A . 4 LYS HA 1 1 2 721 1 1 4 LYS HB2 H -1.243 -5.066 7.638 1.00 . A A . 4 LYS HB2 1 1 2 722 1 1 4 LYS HB3 H 0.141 -4.876 8.711 1.00 . A A . 4 LYS HB3 1 1 2 723 1 1 4 LYS HD2 H -2.822 -4.135 9.201 1.00 . A A . 4 LYS HD2 1 1 2 724 1 1 4 LYS HD3 H -1.571 -3.938 10.429 1.00 . A A . 4 LYS HD3 1 1 2 725 1 1 4 LYS HE2 H -3.166 -1.646 9.254 1.00 . A A . 4 LYS HE2 1 1 2 726 1 1 4 LYS HE3 H -3.555 -2.440 10.779 1.00 . A A . 4 LYS HE3 1 1 2 727 1 1 4 LYS HG2 H -0.281 -2.499 8.934 1.00 . A A . 4 LYS HG2 1 1 2 728 1 1 4 LYS HG3 H -1.561 -2.568 7.725 1.00 . A A . 4 LYS HG3 1 1 2 729 1 1 4 LYS HZ1 H -1.002 -1.082 10.147 1.00 . A A . 4 LYS HZ1 1 1 2 730 1 1 4 LYS HZ2 H -2.220 -0.466 11.130 1.00 . A A . 4 LYS HZ2 1 1 2 731 1 1 4 LYS HZ3 H -1.372 -1.840 11.601 1.00 . A A . 4 LYS HZ3 1 1 2 732 1 1 4 LYS N N 0.503 -5.241 5.835 1.00 . A A . 4 LYS N 1 1 2 733 1 1 4 LYS NZ N -1.761 -1.327 10.797 1.00 . A A . 4 LYS NZ 1 1 2 734 1 1 4 LYS O O 2.545 -4.612 7.723 1.00 . A A . 4 LYS O 1 1 2 735 1 1 5 ARG C C 4.654 -3.165 6.736 1.00 . A A . 5 ARG C 1 1 2 736 1 1 5 ARG CA C 3.686 -2.201 7.425 1.00 . A A . 5 ARG CA 1 1 2 737 1 1 5 ARG CB C 3.818 -2.328 8.945 1.00 . A A . 5 ARG CB 1 1 2 738 1 1 5 ARG CD C 3.011 -1.444 11.139 1.00 . A A . 5 ARG CD 1 1 2 739 1 1 5 ARG CG C 2.887 -1.318 9.620 1.00 . A A . 5 ARG CG 1 1 2 740 1 1 5 ARG CZ C 2.396 0.734 12.016 1.00 . A A . 5 ARG CZ 1 1 2 741 1 1 5 ARG H H 1.740 -1.880 6.575 1.00 . A A . 5 ARG H 1 1 2 742 1 1 5 ARG HA H 3.908 -1.188 7.123 1.00 . A A . 5 ARG HA 1 1 2 743 1 1 5 ARG HB2 H 3.551 -3.328 9.251 1.00 . A A . 5 ARG HB2 1 1 2 744 1 1 5 ARG HB3 H 4.837 -2.123 9.234 1.00 . A A . 5 ARG HB3 1 1 2 745 1 1 5 ARG HD2 H 2.785 -2.456 11.437 1.00 . A A . 5 ARG HD2 1 1 2 746 1 1 5 ARG HD3 H 4.019 -1.197 11.440 1.00 . A A . 5 ARG HD3 1 1 2 747 1 1 5 ARG HE H 1.119 -0.839 12.071 1.00 . A A . 5 ARG HE 1 1 2 748 1 1 5 ARG HG2 H 3.161 -0.319 9.315 1.00 . A A . 5 ARG HG2 1 1 2 749 1 1 5 ARG HG3 H 1.867 -1.517 9.326 1.00 . A A . 5 ARG HG3 1 1 2 750 1 1 5 ARG HH11 H 4.213 0.543 11.197 1.00 . A A . 5 ARG HH11 1 1 2 751 1 1 5 ARG HH12 H 3.833 2.114 11.818 1.00 . A A . 5 ARG HH12 1 1 2 752 1 1 5 ARG HH21 H 0.658 1.219 12.883 1.00 . A A . 5 ARG HH21 1 1 2 753 1 1 5 ARG HH22 H 1.821 2.497 12.771 1.00 . A A . 5 ARG HH22 1 1 2 754 1 1 5 ARG N N 2.303 -2.548 7.012 1.00 . A A . 5 ARG N 1 1 2 755 1 1 5 ARG NE N 2.054 -0.506 11.793 1.00 . A A . 5 ARG NE 1 1 2 756 1 1 5 ARG NH1 N 3.573 1.163 11.649 1.00 . A A . 5 ARG NH1 1 1 2 757 1 1 5 ARG NH2 N 1.560 1.546 12.604 1.00 . A A . 5 ARG NH2 1 1 2 758 1 1 5 ARG O O 5.017 -4.190 7.277 1.00 . A A . 5 ARG O 1 1 2 759 1 1 6 ALA C C 6.308 -3.157 3.415 1.00 . A A . 6 ALA C 1 1 2 760 1 1 6 ALA CA C 6.006 -3.740 4.802 1.00 . A A . 6 ALA CA 1 1 2 761 1 1 6 ALA CB C 5.370 -5.123 4.628 1.00 . A A . 6 ALA CB 1 1 2 762 1 1 6 ALA H H 4.753 -2.013 5.123 1.00 . A A . 6 ALA H 1 1 2 763 1 1 6 ALA HA H 6.926 -3.836 5.359 1.00 . A A . 6 ALA HA 1 1 2 764 1 1 6 ALA HB1 H 5.925 -5.685 3.892 1.00 . A A . 6 ALA HB1 1 1 2 765 1 1 6 ALA HB2 H 4.347 -5.012 4.298 1.00 . A A . 6 ALA HB2 1 1 2 766 1 1 6 ALA HB3 H 5.386 -5.651 5.570 1.00 . A A . 6 ALA HB3 1 1 2 767 1 1 6 ALA N N 5.068 -2.842 5.539 1.00 . A A . 6 ALA N 1 1 2 768 1 1 6 ALA O O 5.432 -2.703 2.708 1.00 . A A . 6 ALA O 1 1 2 769 1 1 7 TRP C C 7.113 -3.206 0.580 1.00 . A A . 7 TRP C 1 1 2 770 1 1 7 TRP CA C 7.973 -2.623 1.709 1.00 . A A . 7 TRP CA 1 1 2 771 1 1 7 TRP CB C 9.446 -2.972 1.479 1.00 . A A . 7 TRP CB 1 1 2 772 1 1 7 TRP CD1 C 9.993 -1.569 -0.554 1.00 . A A . 7 TRP CD1 1 1 2 773 1 1 7 TRP CD2 C 10.052 -3.777 -0.980 1.00 . A A . 7 TRP CD2 1 1 2 774 1 1 7 TRP CE2 C 10.377 -3.122 -2.192 1.00 . A A . 7 TRP CE2 1 1 2 775 1 1 7 TRP CE3 C 10.020 -5.181 -0.973 1.00 . A A . 7 TRP CE3 1 1 2 776 1 1 7 TRP CG C 9.812 -2.768 0.043 1.00 . A A . 7 TRP CG 1 1 2 777 1 1 7 TRP CH2 C 10.624 -5.235 -3.330 1.00 . A A . 7 TRP CH2 1 1 2 778 1 1 7 TRP CZ2 C 10.662 -3.838 -3.356 1.00 . A A . 7 TRP CZ2 1 1 2 779 1 1 7 TRP CZ3 C 10.303 -5.906 -2.141 1.00 . A A . 7 TRP CZ3 1 1 2 780 1 1 7 TRP H H 8.239 -3.540 3.637 1.00 . A A . 7 TRP H 1 1 2 781 1 1 7 TRP HA H 7.865 -1.552 1.717 1.00 . A A . 7 TRP HA 1 1 2 782 1 1 7 TRP HB2 H 10.064 -2.339 2.096 1.00 . A A . 7 TRP HB2 1 1 2 783 1 1 7 TRP HB3 H 9.615 -4.004 1.748 1.00 . A A . 7 TRP HB3 1 1 2 784 1 1 7 TRP HD1 H 9.890 -0.608 -0.076 1.00 . A A . 7 TRP HD1 1 1 2 785 1 1 7 TRP HE1 H 10.511 -1.071 -2.537 1.00 . A A . 7 TRP HE1 1 1 2 786 1 1 7 TRP HE3 H 9.772 -5.708 -0.063 1.00 . A A . 7 TRP HE3 1 1 2 787 1 1 7 TRP HH2 H 10.844 -5.798 -4.226 1.00 . A A . 7 TRP HH2 1 1 2 788 1 1 7 TRP HZ2 H 10.909 -3.317 -4.267 1.00 . A A . 7 TRP HZ2 1 1 2 789 1 1 7 TRP HZ3 H 10.275 -6.985 -2.125 1.00 . A A . 7 TRP HZ3 1 1 2 790 1 1 7 TRP N N 7.558 -3.169 3.037 1.00 . A A . 7 TRP N 1 1 2 791 1 1 7 TRP NE1 N 10.327 -1.778 -1.882 1.00 . A A . 7 TRP NE1 1 1 2 792 1 1 7 TRP O O 6.743 -4.364 0.594 1.00 . A A . 7 TRP O 1 1 2 793 1 1 8 CYS C C 6.802 -2.622 -2.857 1.00 . A A . 8 CYS C 1 1 2 794 1 1 8 CYS CA C 5.999 -2.872 -1.574 1.00 . A A . 8 CYS CA 1 1 2 795 1 1 8 CYS CB C 4.672 -2.091 -1.621 1.00 . A A . 8 CYS CB 1 1 2 796 1 1 8 CYS H H 7.141 -1.478 -0.394 1.00 . A A . 8 CYS H 1 1 2 797 1 1 8 CYS HA H 5.795 -3.931 -1.477 1.00 . A A . 8 CYS HA 1 1 2 798 1 1 8 CYS HB2 H 3.846 -2.779 -1.518 1.00 . A A . 8 CYS HB2 1 1 2 799 1 1 8 CYS HB3 H 4.648 -1.383 -0.804 1.00 . A A . 8 CYS HB3 1 1 2 800 1 1 8 CYS N N 6.814 -2.401 -0.410 1.00 . A A . 8 CYS N 1 1 2 801 1 1 8 CYS O O 7.569 -1.683 -2.940 1.00 . A A . 8 CYS O 1 1 2 802 1 1 8 CYS SG S 4.518 -1.203 -3.194 1.00 . A A . 8 CYS SG 1 1 2 803 1 1 9 LYS C C 6.546 -2.455 -6.114 1.00 . A A . 9 LYS C 1 1 2 804 1 1 9 LYS CA C 7.407 -3.243 -5.122 1.00 . A A . 9 LYS CA 1 1 2 805 1 1 9 LYS CB C 7.801 -4.611 -5.699 1.00 . A A . 9 LYS CB 1 1 2 806 1 1 9 LYS CD C 9.546 -5.627 -7.208 1.00 . A A . 9 LYS CD 1 1 2 807 1 1 9 LYS CE C 8.780 -6.948 -7.052 1.00 . A A . 9 LYS CE 1 1 2 808 1 1 9 LYS CG C 8.611 -4.428 -6.990 1.00 . A A . 9 LYS CG 1 1 2 809 1 1 9 LYS H H 6.016 -4.201 -3.777 1.00 . A A . 9 LYS H 1 1 2 810 1 1 9 LYS HA H 8.302 -2.678 -4.909 1.00 . A A . 9 LYS HA 1 1 2 811 1 1 9 LYS HB2 H 8.400 -5.137 -4.970 1.00 . A A . 9 LYS HB2 1 1 2 812 1 1 9 LYS HB3 H 6.909 -5.182 -5.911 1.00 . A A . 9 LYS HB3 1 1 2 813 1 1 9 LYS HD2 H 9.965 -5.576 -8.202 1.00 . A A . 9 LYS HD2 1 1 2 814 1 1 9 LYS HD3 H 10.346 -5.593 -6.484 1.00 . A A . 9 LYS HD3 1 1 2 815 1 1 9 LYS HE2 H 9.426 -7.769 -7.322 1.00 . A A . 9 LYS HE2 1 1 2 816 1 1 9 LYS HE3 H 8.464 -7.069 -6.026 1.00 . A A . 9 LYS HE3 1 1 2 817 1 1 9 LYS HG2 H 7.936 -4.351 -7.827 1.00 . A A . 9 LYS HG2 1 1 2 818 1 1 9 LYS HG3 H 9.199 -3.525 -6.922 1.00 . A A . 9 LYS HG3 1 1 2 819 1 1 9 LYS HZ1 H 7.887 -6.845 -8.921 1.00 . A A . 9 LYS HZ1 1 1 2 820 1 1 9 LYS HZ2 H 7.076 -7.837 -7.833 1.00 . A A . 9 LYS HZ2 1 1 2 821 1 1 9 LYS HZ3 H 6.967 -6.165 -7.689 1.00 . A A . 9 LYS HZ3 1 1 2 822 1 1 9 LYS N N 6.641 -3.448 -3.857 1.00 . A A . 9 LYS N 1 1 2 823 1 1 9 LYS NZ N 7.586 -6.950 -7.942 1.00 . A A . 9 LYS NZ 1 1 2 824 1 1 9 LYS O O 7.045 -1.676 -6.902 1.00 . A A . 9 LYS O 1 1 2 825 1 1 10 GLU C C 2.962 -1.791 -6.341 1.00 . A A . 10 GLU C 1 1 2 826 1 1 10 GLU CA C 4.343 -1.892 -6.986 1.00 . A A . 10 GLU CA 1 1 2 827 1 1 10 GLU CB C 4.186 -2.629 -8.324 1.00 . A A . 10 GLU CB 1 1 2 828 1 1 10 GLU CD C 5.958 -1.248 -9.417 1.00 . A A . 10 GLU CD 1 1 2 829 1 1 10 GLU CG C 5.510 -2.671 -9.087 1.00 . A A . 10 GLU CG 1 1 2 830 1 1 10 GLU H H 4.858 -3.305 -5.387 1.00 . A A . 10 GLU H 1 1 2 831 1 1 10 GLU HA H 4.731 -0.899 -7.156 1.00 . A A . 10 GLU HA 1 1 2 832 1 1 10 GLU HB2 H 3.849 -3.636 -8.140 1.00 . A A . 10 GLU HB2 1 1 2 833 1 1 10 GLU HB3 H 3.449 -2.115 -8.925 1.00 . A A . 10 GLU HB3 1 1 2 834 1 1 10 GLU HG2 H 6.259 -3.157 -8.486 1.00 . A A . 10 GLU HG2 1 1 2 835 1 1 10 GLU HG3 H 5.376 -3.224 -10.050 1.00 . A A . 10 GLU HG3 1 1 2 836 1 1 10 GLU N N 5.253 -2.639 -6.066 1.00 . A A . 10 GLU N 1 1 2 837 1 1 10 GLU O O 2.721 -2.322 -5.274 1.00 . A A . 10 GLU O 1 1 2 838 1 1 10 GLU OE1 O 5.136 -0.489 -9.902 1.00 . A A . 10 GLU OE1 1 1 2 839 1 1 10 GLU OE2 O 7.118 -0.944 -9.189 1.00 . A A . 10 GLU OE2 1 1 2 840 1 1 11 LYS C C 0.085 -2.412 -6.284 1.00 . A A . 11 LYS C 1 1 2 841 1 1 11 LYS CA C 0.672 -1.011 -6.435 1.00 . A A . 11 LYS CA 1 1 2 842 1 1 11 LYS CB C -0.185 -0.210 -7.429 1.00 . A A . 11 LYS CB 1 1 2 843 1 1 11 LYS CD C -2.556 -0.155 -8.254 1.00 . A A . 11 LYS CD 1 1 2 844 1 1 11 LYS CE C -2.348 1.159 -9.015 1.00 . A A . 11 LYS CE 1 1 2 845 1 1 11 LYS CG C -1.665 -0.197 -7.003 1.00 . A A . 11 LYS CG 1 1 2 846 1 1 11 LYS H H 2.265 -0.727 -7.859 1.00 . A A . 11 LYS H 1 1 2 847 1 1 11 LYS HA H 0.698 -0.510 -5.480 1.00 . A A . 11 LYS HA 1 1 2 848 1 1 11 LYS HB2 H 0.182 0.806 -7.465 1.00 . A A . 11 LYS HB2 1 1 2 849 1 1 11 LYS HB3 H -0.096 -0.653 -8.411 1.00 . A A . 11 LYS HB3 1 1 2 850 1 1 11 LYS HD2 H -2.304 -0.984 -8.901 1.00 . A A . 11 LYS HD2 1 1 2 851 1 1 11 LYS HD3 H -3.592 -0.237 -7.959 1.00 . A A . 11 LYS HD3 1 1 2 852 1 1 11 LYS HE2 H -2.768 1.975 -8.444 1.00 . A A . 11 LYS HE2 1 1 2 853 1 1 11 LYS HE3 H -1.294 1.327 -9.167 1.00 . A A . 11 LYS HE3 1 1 2 854 1 1 11 LYS HG2 H -1.894 -1.085 -6.433 1.00 . A A . 11 LYS HG2 1 1 2 855 1 1 11 LYS HG3 H -1.860 0.677 -6.398 1.00 . A A . 11 LYS HG3 1 1 2 856 1 1 11 LYS HZ1 H -4.040 0.915 -10.194 1.00 . A A . 11 LYS HZ1 1 1 2 857 1 1 11 LYS HZ2 H -2.897 1.957 -10.853 1.00 . A A . 11 LYS HZ2 1 1 2 858 1 1 11 LYS HZ3 H -2.637 0.296 -10.882 1.00 . A A . 11 LYS HZ3 1 1 2 859 1 1 11 LYS N N 2.048 -1.130 -6.992 1.00 . A A . 11 LYS N 1 1 2 860 1 1 11 LYS NZ N -3.033 1.076 -10.338 1.00 . A A . 11 LYS NZ 1 1 2 861 1 1 11 LYS O O -0.461 -2.770 -5.260 1.00 . A A . 11 LYS O 1 1 2 862 1 1 12 LYS C C 0.538 -5.519 -6.476 1.00 . A A . 12 LYS C 1 1 2 863 1 1 12 LYS CA C -0.369 -4.577 -7.284 1.00 . A A . 12 LYS CA 1 1 2 864 1 1 12 LYS CB C -0.480 -5.099 -8.717 1.00 . A A . 12 LYS CB 1 1 2 865 1 1 12 LYS CD C -1.071 -7.151 -10.028 1.00 . A A . 12 LYS CD 1 1 2 866 1 1 12 LYS CE C -1.497 -6.319 -11.242 1.00 . A A . 12 LYS CE 1 1 2 867 1 1 12 LYS CG C -1.330 -6.372 -8.735 1.00 . A A . 12 LYS CG 1 1 2 868 1 1 12 LYS H H 0.621 -2.869 -8.131 1.00 . A A . 12 LYS H 1 1 2 869 1 1 12 LYS HA H -1.351 -4.556 -6.838 1.00 . A A . 12 LYS HA 1 1 2 870 1 1 12 LYS HB2 H -0.943 -4.343 -9.334 1.00 . A A . 12 LYS HB2 1 1 2 871 1 1 12 LYS HB3 H 0.507 -5.319 -9.095 1.00 . A A . 12 LYS HB3 1 1 2 872 1 1 12 LYS HD2 H -0.019 -7.381 -10.101 1.00 . A A . 12 LYS HD2 1 1 2 873 1 1 12 LYS HD3 H -1.638 -8.070 -10.090 1.00 . A A . 12 LYS HD3 1 1 2 874 1 1 12 LYS HE2 H -0.890 -5.428 -11.301 1.00 . A A . 12 LYS HE2 1 1 2 875 1 1 12 LYS HE3 H -1.362 -6.903 -12.140 1.00 . A A . 12 LYS HE3 1 1 2 876 1 1 12 LYS HG2 H -1.075 -6.988 -7.885 1.00 . A A . 12 LYS HG2 1 1 2 877 1 1 12 LYS HG3 H -2.374 -6.103 -8.682 1.00 . A A . 12 LYS HG3 1 1 2 878 1 1 12 LYS HZ1 H -3.063 -5.380 -10.255 1.00 . A A . 12 LYS HZ1 1 1 2 879 1 1 12 LYS HZ2 H -3.212 -5.377 -11.929 1.00 . A A . 12 LYS HZ2 1 1 2 880 1 1 12 LYS HZ3 H -3.509 -6.787 -11.062 1.00 . A A . 12 LYS HZ3 1 1 2 881 1 1 12 LYS N N 0.185 -3.197 -7.317 1.00 . A A . 12 LYS N 1 1 2 882 1 1 12 LYS NZ N -2.931 -5.936 -11.112 1.00 . A A . 12 LYS NZ 1 1 2 883 1 1 12 LYS O O 0.069 -6.435 -5.831 1.00 . A A . 12 LYS O 1 1 2 884 1 1 13 ASP C C 2.476 -6.203 -4.310 1.00 . A A . 13 ASP C 1 1 2 885 1 1 13 ASP CA C 2.761 -6.229 -5.811 1.00 . A A . 13 ASP CA 1 1 2 886 1 1 13 ASP CB C 4.187 -5.766 -6.083 1.00 . A A . 13 ASP CB 1 1 2 887 1 1 13 ASP CG C 4.697 -6.391 -7.385 1.00 . A A . 13 ASP CG 1 1 2 888 1 1 13 ASP H H 2.206 -4.604 -7.072 1.00 . A A . 13 ASP H 1 1 2 889 1 1 13 ASP HA H 2.638 -7.237 -6.178 1.00 . A A . 13 ASP HA 1 1 2 890 1 1 13 ASP HB2 H 4.198 -4.693 -6.172 1.00 . A A . 13 ASP HB2 1 1 2 891 1 1 13 ASP HB3 H 4.818 -6.059 -5.275 1.00 . A A . 13 ASP HB3 1 1 2 892 1 1 13 ASP N N 1.833 -5.328 -6.534 1.00 . A A . 13 ASP N 1 1 2 893 1 1 13 ASP O O 3.102 -6.906 -3.544 1.00 . A A . 13 ASP O 1 1 2 894 1 1 13 ASP OD1 O 4.610 -7.602 -7.511 1.00 . A A . 13 ASP OD1 1 1 2 895 1 1 13 ASP OD2 O 5.162 -5.647 -8.235 1.00 . A A . 13 ASP OD2 1 1 2 896 1 1 14 CYS C C 0.138 -6.429 -2.135 1.00 . A A . 14 CYS C 1 1 2 897 1 1 14 CYS CA C 1.214 -5.389 -2.425 1.00 . A A . 14 CYS CA 1 1 2 898 1 1 14 CYS CB C 0.700 -4.013 -2.012 1.00 . A A . 14 CYS CB 1 1 2 899 1 1 14 CYS H H 1.020 -4.865 -4.508 1.00 . A A . 14 CYS H 1 1 2 900 1 1 14 CYS HA H 2.104 -5.627 -1.858 1.00 . A A . 14 CYS HA 1 1 2 901 1 1 14 CYS HB2 H 1.435 -3.263 -2.243 1.00 . A A . 14 CYS HB2 1 1 2 902 1 1 14 CYS HB3 H -0.220 -3.794 -2.529 1.00 . A A . 14 CYS HB3 1 1 2 903 1 1 14 CYS N N 1.529 -5.419 -3.880 1.00 . A A . 14 CYS N 1 1 2 904 1 1 14 CYS O O -0.707 -6.709 -2.962 1.00 . A A . 14 CYS O 1 1 2 905 1 1 14 CYS SG S 0.412 -4.019 -0.238 1.00 . A A . 14 CYS SG 1 1 2 906 1 1 15 CYS C C -2.246 -7.443 -0.769 1.00 . A A . 15 CYS C 1 1 2 907 1 1 15 CYS CA C -0.850 -8.045 -0.651 1.00 . A A . 15 CYS CA 1 1 2 908 1 1 15 CYS CB C -0.611 -8.574 0.770 1.00 . A A . 15 CYS CB 1 1 2 909 1 1 15 CYS H H 0.859 -6.788 -0.320 1.00 . A A . 15 CYS H 1 1 2 910 1 1 15 CYS HA H -0.762 -8.861 -1.353 1.00 . A A . 15 CYS HA 1 1 2 911 1 1 15 CYS HB2 H 0.204 -8.027 1.223 1.00 . A A . 15 CYS HB2 1 1 2 912 1 1 15 CYS HB3 H -1.502 -8.447 1.362 1.00 . A A . 15 CYS HB3 1 1 2 913 1 1 15 CYS N N 0.166 -7.016 -0.974 1.00 . A A . 15 CYS N 1 1 2 914 1 1 15 CYS O O -2.492 -6.313 -0.379 1.00 . A A . 15 CYS O 1 1 2 915 1 1 15 CYS SG S -0.182 -10.335 0.693 1.00 . A A . 15 CYS SG 1 1 2 916 1 1 16 CYS C C -5.044 -7.186 -0.099 1.00 . A A . 16 CYS C 1 1 2 917 1 1 16 CYS CA C -4.545 -7.676 -1.456 1.00 . A A . 16 CYS CA 1 1 2 918 1 1 16 CYS CB C -5.452 -8.793 -1.985 1.00 . A A . 16 CYS CB 1 1 2 919 1 1 16 CYS H H -2.937 -9.099 -1.609 1.00 . A A . 16 CYS H 1 1 2 920 1 1 16 CYS HA H -4.543 -6.850 -2.153 1.00 . A A . 16 CYS HA 1 1 2 921 1 1 16 CYS HB2 H -4.884 -9.709 -2.064 1.00 . A A . 16 CYS HB2 1 1 2 922 1 1 16 CYS HB3 H -6.277 -8.944 -1.308 1.00 . A A . 16 CYS HB3 1 1 2 923 1 1 16 CYS N N -3.161 -8.193 -1.305 1.00 . A A . 16 CYS N 1 1 2 924 1 1 16 CYS O O -5.011 -7.899 0.883 1.00 . A A . 16 CYS O 1 1 2 925 1 1 16 CYS SG S -6.085 -8.338 -3.620 1.00 . A A . 16 CYS SG 1 1 2 926 1 1 17 GLY C C -5.072 -4.278 1.704 1.00 . A A . 17 GLY C 1 1 2 927 1 1 17 GLY CA C -5.995 -5.406 1.247 1.00 . A A . 17 GLY CA 1 1 2 928 1 1 17 GLY H H -5.507 -5.408 -0.848 1.00 . A A . 17 GLY H 1 1 2 929 1 1 17 GLY HA2 H -6.992 -5.022 1.109 1.00 . A A . 17 GLY HA2 1 1 2 930 1 1 17 GLY HA3 H -6.011 -6.179 2.001 1.00 . A A . 17 GLY HA3 1 1 2 931 1 1 17 GLY N N -5.498 -5.964 -0.041 1.00 . A A . 17 GLY N 1 1 2 932 1 1 17 GLY O O -5.342 -3.602 2.676 1.00 . A A . 17 GLY O 1 1 2 933 1 1 18 TYR C C -2.685 -2.094 0.243 1.00 . A A . 18 TYR C 1 1 2 934 1 1 18 TYR CA C -3.027 -2.998 1.430 1.00 . A A . 18 TYR CA 1 1 2 935 1 1 18 TYR CB C -1.753 -3.644 1.956 1.00 . A A . 18 TYR CB 1 1 2 936 1 1 18 TYR CD1 C -2.337 -3.764 4.393 1.00 . A A . 18 TYR CD1 1 1 2 937 1 1 18 TYR CD2 C -2.148 -5.823 3.135 1.00 . A A . 18 TYR CD2 1 1 2 938 1 1 18 TYR CE1 C -2.659 -4.495 5.541 1.00 . A A . 18 TYR CE1 1 1 2 939 1 1 18 TYR CE2 C -2.471 -6.558 4.280 1.00 . A A . 18 TYR CE2 1 1 2 940 1 1 18 TYR CG C -2.081 -4.429 3.194 1.00 . A A . 18 TYR CG 1 1 2 941 1 1 18 TYR CZ C -2.727 -5.893 5.484 1.00 . A A . 18 TYR CZ 1 1 2 942 1 1 18 TYR H H -3.765 -4.662 0.199 1.00 . A A . 18 TYR H 1 1 2 943 1 1 18 TYR HA H -3.471 -2.402 2.213 1.00 . A A . 18 TYR HA 1 1 2 944 1 1 18 TYR HB2 H -1.359 -4.308 1.209 1.00 . A A . 18 TYR HB2 1 1 2 945 1 1 18 TYR HB3 H -1.028 -2.884 2.186 1.00 . A A . 18 TYR HB3 1 1 2 946 1 1 18 TYR HD1 H -2.279 -2.687 4.432 1.00 . A A . 18 TYR HD1 1 1 2 947 1 1 18 TYR HD2 H -1.946 -6.328 2.200 1.00 . A A . 18 TYR HD2 1 1 2 948 1 1 18 TYR HE1 H -2.861 -3.981 6.468 1.00 . A A . 18 TYR HE1 1 1 2 949 1 1 18 TYR HE2 H -2.524 -7.634 4.236 1.00 . A A . 18 TYR HE2 1 1 2 950 1 1 18 TYR HH H -3.399 -6.007 7.266 1.00 . A A . 18 TYR HH 1 1 2 951 1 1 18 TYR N N -3.974 -4.077 1.019 1.00 . A A . 18 TYR N 1 1 2 952 1 1 18 TYR O O -2.556 -2.542 -0.880 1.00 . A A . 18 TYR O 1 1 2 953 1 1 18 TYR OH O -3.047 -6.616 6.613 1.00 . A A . 18 TYR OH 1 1 2 954 1 1 19 ASN C C -0.690 0.485 -0.512 1.00 . A A . 19 ASN C 1 1 2 955 1 1 19 ASN CA C -2.181 0.138 -0.601 1.00 . A A . 19 ASN CA 1 1 2 956 1 1 19 ASN CB C -3.009 1.416 -0.427 1.00 . A A . 19 ASN CB 1 1 2 957 1 1 19 ASN CG C -2.931 2.259 -1.701 1.00 . A A . 19 ASN CG 1 1 2 958 1 1 19 ASN H H -2.630 -0.485 1.414 1.00 . A A . 19 ASN H 1 1 2 959 1 1 19 ASN HA H -2.394 -0.306 -1.562 1.00 . A A . 19 ASN HA 1 1 2 960 1 1 19 ASN HB2 H -4.038 1.152 -0.233 1.00 . A A . 19 ASN HB2 1 1 2 961 1 1 19 ASN HB3 H -2.619 1.986 0.403 1.00 . A A . 19 ASN HB3 1 1 2 962 1 1 19 ASN HD21 H -2.819 3.981 -0.718 1.00 . A A . 19 ASN HD21 1 1 2 963 1 1 19 ASN HD22 H -2.797 4.105 -2.409 1.00 . A A . 19 ASN HD22 1 1 2 964 1 1 19 ASN N N -2.527 -0.818 0.493 1.00 . A A . 19 ASN N 1 1 2 965 1 1 19 ASN ND2 N -2.839 3.556 -1.602 1.00 . A A . 19 ASN ND2 1 1 2 966 1 1 19 ASN O O -0.138 0.563 0.563 1.00 . A A . 19 ASN O 1 1 2 967 1 1 19 ASN OD1 O -2.953 1.731 -2.795 1.00 . A A . 19 ASN OD1 1 1 2 968 1 1 20 CYS C C 1.573 2.553 -1.410 1.00 . A A . 20 CYS C 1 1 2 969 1 1 20 CYS CA C 1.420 1.043 -1.577 1.00 . A A . 20 CYS CA 1 1 2 970 1 1 20 CYS CB C 2.099 0.593 -2.875 1.00 . A A . 20 CYS CB 1 1 2 971 1 1 20 CYS H H -0.496 0.638 -2.490 1.00 . A A . 20 CYS H 1 1 2 972 1 1 20 CYS HA H 1.887 0.545 -0.739 1.00 . A A . 20 CYS HA 1 1 2 973 1 1 20 CYS HB2 H 1.792 -0.416 -3.114 1.00 . A A . 20 CYS HB2 1 1 2 974 1 1 20 CYS HB3 H 1.815 1.255 -3.681 1.00 . A A . 20 CYS HB3 1 1 2 975 1 1 20 CYS N N -0.034 0.700 -1.625 1.00 . A A . 20 CYS N 1 1 2 976 1 1 20 CYS O O 0.979 3.334 -2.129 1.00 . A A . 20 CYS O 1 1 2 977 1 1 20 CYS SG S 3.893 0.643 -2.660 1.00 . A A . 20 CYS SG 1 1 2 978 1 1 21 VAL C C 4.034 4.764 -0.140 1.00 . A A . 21 VAL C 1 1 2 979 1 1 21 VAL CA C 2.543 4.429 -0.196 1.00 . A A . 21 VAL CA 1 1 2 980 1 1 21 VAL CB C 1.897 4.801 1.140 1.00 . A A . 21 VAL CB 1 1 2 981 1 1 21 VAL CG1 C 2.115 6.294 1.409 1.00 . A A . 21 VAL CG1 1 1 2 982 1 1 21 VAL CG2 C 0.393 4.499 1.087 1.00 . A A . 21 VAL CG2 1 1 2 983 1 1 21 VAL H H 2.809 2.315 0.126 1.00 . A A . 21 VAL H 1 1 2 984 1 1 21 VAL HA H 2.077 4.998 -0.988 1.00 . A A . 21 VAL HA 1 1 2 985 1 1 21 VAL HB H 2.354 4.224 1.933 1.00 . A A . 21 VAL HB 1 1 2 986 1 1 21 VAL HG11 H 3.158 6.472 1.622 1.00 . A A . 21 VAL HG11 1 1 2 987 1 1 21 VAL HG12 H 1.517 6.599 2.255 1.00 . A A . 21 VAL HG12 1 1 2 988 1 1 21 VAL HG13 H 1.823 6.861 0.538 1.00 . A A . 21 VAL HG13 1 1 2 989 1 1 21 VAL HG21 H -0.143 5.214 1.694 1.00 . A A . 21 VAL HG21 1 1 2 990 1 1 21 VAL HG22 H 0.213 3.502 1.465 1.00 . A A . 21 VAL HG22 1 1 2 991 1 1 21 VAL HG23 H 0.046 4.562 0.067 1.00 . A A . 21 VAL HG23 1 1 2 992 1 1 21 VAL N N 2.355 2.968 -0.446 1.00 . A A . 21 VAL N 1 1 2 993 1 1 21 VAL O O 4.817 4.068 0.479 1.00 . A A . 21 VAL O 1 1 2 994 1 1 22 TYR C C 6.256 6.638 0.680 1.00 . A A . 22 TYR C 1 1 2 995 1 1 22 TYR CA C 5.864 6.238 -0.747 1.00 . A A . 22 TYR CA 1 1 2 996 1 1 22 TYR CB C 6.078 7.419 -1.698 1.00 . A A . 22 TYR CB 1 1 2 997 1 1 22 TYR CD1 C 8.577 7.188 -1.943 1.00 . A A . 22 TYR CD1 1 1 2 998 1 1 22 TYR CD2 C 7.681 9.215 -0.957 1.00 . A A . 22 TYR CD2 1 1 2 999 1 1 22 TYR CE1 C 9.876 7.687 -1.784 1.00 . A A . 22 TYR CE1 1 1 2 1000 1 1 22 TYR CE2 C 8.978 9.713 -0.796 1.00 . A A . 22 TYR CE2 1 1 2 1001 1 1 22 TYR CG C 7.479 7.954 -1.531 1.00 . A A . 22 TYR CG 1 1 2 1002 1 1 22 TYR CZ C 10.075 8.949 -1.209 1.00 . A A . 22 TYR CZ 1 1 2 1003 1 1 22 TYR H H 3.746 6.412 -1.285 1.00 . A A . 22 TYR H 1 1 2 1004 1 1 22 TYR HA H 6.472 5.405 -1.066 1.00 . A A . 22 TYR HA 1 1 2 1005 1 1 22 TYR HB2 H 5.937 7.089 -2.716 1.00 . A A . 22 TYR HB2 1 1 2 1006 1 1 22 TYR HB3 H 5.365 8.198 -1.470 1.00 . A A . 22 TYR HB3 1 1 2 1007 1 1 22 TYR HD1 H 8.421 6.213 -2.386 1.00 . A A . 22 TYR HD1 1 1 2 1008 1 1 22 TYR HD2 H 6.834 9.806 -0.640 1.00 . A A . 22 TYR HD2 1 1 2 1009 1 1 22 TYR HE1 H 10.724 7.099 -2.101 1.00 . A A . 22 TYR HE1 1 1 2 1010 1 1 22 TYR HE2 H 9.133 10.686 -0.352 1.00 . A A . 22 TYR HE2 1 1 2 1011 1 1 22 TYR HH H 11.781 9.436 -1.912 1.00 . A A . 22 TYR HH 1 1 2 1012 1 1 22 TYR N N 4.429 5.839 -0.770 1.00 . A A . 22 TYR N 1 1 2 1013 1 1 22 TYR O O 5.500 7.264 1.394 1.00 . A A . 22 TYR O 1 1 2 1014 1 1 22 TYR OH O 11.355 9.439 -1.052 1.00 . A A . 22 TYR OH 1 1 2 1015 1 1 23 ALA C C 8.550 7.966 2.500 1.00 . A A . 23 ALA C 1 1 2 1016 1 1 23 ALA CA C 7.891 6.593 2.476 1.00 . A A . 23 ALA CA 1 1 2 1017 1 1 23 ALA CB C 8.887 5.524 2.922 1.00 . A A . 23 ALA CB 1 1 2 1018 1 1 23 ALA H H 8.018 5.750 0.501 1.00 . A A . 23 ALA H 1 1 2 1019 1 1 23 ALA HA H 7.067 6.602 3.154 1.00 . A A . 23 ALA HA 1 1 2 1020 1 1 23 ALA HB1 H 9.891 5.830 2.664 1.00 . A A . 23 ALA HB1 1 1 2 1021 1 1 23 ALA HB2 H 8.657 4.594 2.426 1.00 . A A . 23 ALA HB2 1 1 2 1022 1 1 23 ALA HB3 H 8.809 5.388 3.988 1.00 . A A . 23 ALA HB3 1 1 2 1023 1 1 23 ALA N N 7.433 6.264 1.096 1.00 . A A . 23 ALA N 1 1 2 1024 1 1 23 ALA O O 8.123 8.890 1.835 1.00 . A A . 23 ALA O 1 1 2 1025 1 1 24 TRP C C 11.569 9.309 4.189 1.00 . A A . 24 TRP C 1 1 2 1026 1 1 24 TRP CA C 10.272 9.421 3.370 1.00 . A A . 24 TRP CA 1 1 2 1027 1 1 24 TRP CB C 9.342 10.444 4.037 1.00 . A A . 24 TRP CB 1 1 2 1028 1 1 24 TRP CD1 C 9.281 9.653 6.439 1.00 . A A . 24 TRP CD1 1 1 2 1029 1 1 24 TRP CD2 C 7.320 9.349 5.382 1.00 . A A . 24 TRP CD2 1 1 2 1030 1 1 24 TRP CE2 C 7.149 8.864 6.701 1.00 . A A . 24 TRP CE2 1 1 2 1031 1 1 24 TRP CE3 C 6.225 9.276 4.504 1.00 . A A . 24 TRP CE3 1 1 2 1032 1 1 24 TRP CG C 8.686 9.836 5.237 1.00 . A A . 24 TRP CG 1 1 2 1033 1 1 24 TRP CH2 C 4.858 8.266 6.247 1.00 . A A . 24 TRP CH2 1 1 2 1034 1 1 24 TRP CZ2 C 5.936 8.329 7.134 1.00 . A A . 24 TRP CZ2 1 1 2 1035 1 1 24 TRP CZ3 C 5.002 8.738 4.936 1.00 . A A . 24 TRP CZ3 1 1 2 1036 1 1 24 TRP H H 9.873 7.340 3.806 1.00 . A A . 24 TRP H 1 1 2 1037 1 1 24 TRP HA H 10.515 9.765 2.375 1.00 . A A . 24 TRP HA 1 1 2 1038 1 1 24 TRP HB2 H 9.917 11.306 4.340 1.00 . A A . 24 TRP HB2 1 1 2 1039 1 1 24 TRP HB3 H 8.584 10.752 3.330 1.00 . A A . 24 TRP HB3 1 1 2 1040 1 1 24 TRP HD1 H 10.299 9.913 6.682 1.00 . A A . 24 TRP HD1 1 1 2 1041 1 1 24 TRP HE1 H 8.555 8.827 8.236 1.00 . A A . 24 TRP HE1 1 1 2 1042 1 1 24 TRP HE3 H 6.326 9.636 3.490 1.00 . A A . 24 TRP HE3 1 1 2 1043 1 1 24 TRP HH2 H 3.913 7.855 6.574 1.00 . A A . 24 TRP HH2 1 1 2 1044 1 1 24 TRP HZ2 H 5.830 7.968 8.146 1.00 . A A . 24 TRP HZ2 1 1 2 1045 1 1 24 TRP HZ3 H 4.167 8.689 4.253 1.00 . A A . 24 TRP HZ3 1 1 2 1046 1 1 24 TRP N N 9.578 8.102 3.275 1.00 . A A . 24 TRP N 1 1 2 1047 1 1 24 TRP NE1 N 8.372 9.070 7.305 1.00 . A A . 24 TRP NE1 1 1 2 1048 1 1 24 TRP O O 12.579 9.868 3.809 1.00 . A A . 24 TRP O 1 1 2 1049 1 1 25 TYR C C 13.545 7.148 5.764 1.00 . A A . 25 TYR C 1 1 2 1050 1 1 25 TYR CA C 12.856 8.483 6.071 1.00 . A A . 25 TYR CA 1 1 2 1051 1 1 25 TYR CB C 12.617 8.642 7.585 1.00 . A A . 25 TYR CB 1 1 2 1052 1 1 25 TYR CD1 C 10.957 6.717 7.331 1.00 . A A . 25 TYR CD1 1 1 2 1053 1 1 25 TYR CD2 C 11.114 7.881 9.447 1.00 . A A . 25 TYR CD2 1 1 2 1054 1 1 25 TYR CE1 C 9.966 5.884 7.866 1.00 . A A . 25 TYR CE1 1 1 2 1055 1 1 25 TYR CE2 C 10.124 7.050 9.982 1.00 . A A . 25 TYR CE2 1 1 2 1056 1 1 25 TYR CG C 11.534 7.720 8.122 1.00 . A A . 25 TYR CG 1 1 2 1057 1 1 25 TYR CZ C 9.549 6.052 9.193 1.00 . A A . 25 TYR CZ 1 1 2 1058 1 1 25 TYR H H 10.725 8.120 5.615 1.00 . A A . 25 TYR H 1 1 2 1059 1 1 25 TYR HA H 13.520 9.277 5.752 1.00 . A A . 25 TYR HA 1 1 2 1060 1 1 25 TYR HB2 H 13.538 8.431 8.107 1.00 . A A . 25 TYR HB2 1 1 2 1061 1 1 25 TYR HB3 H 12.334 9.666 7.785 1.00 . A A . 25 TYR HB3 1 1 2 1062 1 1 25 TYR HD1 H 11.270 6.582 6.316 1.00 . A A . 25 TYR HD1 1 1 2 1063 1 1 25 TYR HD2 H 11.555 8.652 10.061 1.00 . A A . 25 TYR HD2 1 1 2 1064 1 1 25 TYR HE1 H 9.520 5.111 7.255 1.00 . A A . 25 TYR HE1 1 1 2 1065 1 1 25 TYR HE2 H 9.803 7.181 11.005 1.00 . A A . 25 TYR HE2 1 1 2 1066 1 1 25 TYR HH H 8.325 4.591 9.057 1.00 . A A . 25 TYR HH 1 1 2 1067 1 1 25 TYR N N 11.579 8.595 5.291 1.00 . A A . 25 TYR N 1 1 2 1068 1 1 25 TYR O O 14.498 6.764 6.413 1.00 . A A . 25 TYR O 1 1 2 1069 1 1 25 TYR OH O 8.575 5.230 9.727 1.00 . A A . 25 TYR OH 1 1 2 1070 1 1 26 ASN C C 13.741 5.040 2.846 1.00 . A A . 26 ASN C 1 1 2 1071 1 1 26 ASN CA C 13.703 5.148 4.377 1.00 . A A . 26 ASN CA 1 1 2 1072 1 1 26 ASN CB C 12.896 3.976 4.956 1.00 . A A . 26 ASN CB 1 1 2 1073 1 1 26 ASN CG C 11.397 4.257 4.850 1.00 . A A . 26 ASN CG 1 1 2 1074 1 1 26 ASN H H 12.317 6.794 4.249 1.00 . A A . 26 ASN H 1 1 2 1075 1 1 26 ASN HA H 14.713 5.110 4.761 1.00 . A A . 26 ASN HA 1 1 2 1076 1 1 26 ASN HB2 H 13.130 3.076 4.405 1.00 . A A . 26 ASN HB2 1 1 2 1077 1 1 26 ASN HB3 H 13.160 3.838 5.992 1.00 . A A . 26 ASN HB3 1 1 2 1078 1 1 26 ASN HD21 H 11.633 6.195 4.534 1.00 . A A . 26 ASN HD21 1 1 2 1079 1 1 26 ASN HD22 H 10.032 5.660 4.578 1.00 . A A . 26 ASN HD22 1 1 2 1080 1 1 26 ASN N N 13.077 6.451 4.761 1.00 . A A . 26 ASN N 1 1 2 1081 1 1 26 ASN ND2 N 10.987 5.471 4.631 1.00 . A A . 26 ASN ND2 1 1 2 1082 1 1 26 ASN O O 14.176 4.050 2.296 1.00 . A A . 26 ASN O 1 1 2 1083 1 1 26 ASN OD1 O 10.589 3.358 4.965 1.00 . A A . 26 ASN OD1 1 1 2 1084 1 1 27 GLN C C 12.742 4.695 0.167 1.00 . A A . 27 GLN C 1 1 2 1085 1 1 27 GLN CA C 13.307 6.028 0.669 1.00 . A A . 27 GLN CA 1 1 2 1086 1 1 27 GLN CB C 14.744 6.207 0.172 1.00 . A A . 27 GLN CB 1 1 2 1087 1 1 27 GLN CD C 14.416 8.674 -0.088 1.00 . A A . 27 GLN CD 1 1 2 1088 1 1 27 GLN CG C 15.251 7.588 0.597 1.00 . A A . 27 GLN CG 1 1 2 1089 1 1 27 GLN H H 12.959 6.852 2.622 1.00 . A A . 27 GLN H 1 1 2 1090 1 1 27 GLN HA H 12.697 6.833 0.290 1.00 . A A . 27 GLN HA 1 1 2 1091 1 1 27 GLN HB2 H 15.371 5.441 0.602 1.00 . A A . 27 GLN HB2 1 1 2 1092 1 1 27 GLN HB3 H 14.766 6.132 -0.904 1.00 . A A . 27 GLN HB3 1 1 2 1093 1 1 27 GLN HE21 H 13.790 9.472 1.618 1.00 . A A . 27 GLN HE21 1 1 2 1094 1 1 27 GLN HE22 H 13.214 10.226 0.210 1.00 . A A . 27 GLN HE22 1 1 2 1095 1 1 27 GLN HG2 H 15.160 7.688 1.670 1.00 . A A . 27 GLN HG2 1 1 2 1096 1 1 27 GLN HG3 H 16.285 7.696 0.310 1.00 . A A . 27 GLN HG3 1 1 2 1097 1 1 27 GLN N N 13.296 6.060 2.159 1.00 . A A . 27 GLN N 1 1 2 1098 1 1 27 GLN NE2 N 13.752 9.528 0.641 1.00 . A A . 27 GLN NE2 1 1 2 1099 1 1 27 GLN O O 13.158 4.174 -0.849 1.00 . A A . 27 GLN O 1 1 2 1100 1 1 27 GLN OE1 O 14.362 8.740 -1.301 1.00 . A A . 27 GLN OE1 1 1 2 1101 1 1 28 GLN C C 9.656 3.059 0.271 1.00 . A A . 28 GLN C 1 1 2 1102 1 1 28 GLN CA C 11.162 2.860 0.447 1.00 . A A . 28 GLN CA 1 1 2 1103 1 1 28 GLN CB C 11.408 1.787 1.517 1.00 . A A . 28 GLN CB 1 1 2 1104 1 1 28 GLN CD C 13.000 0.500 0.071 1.00 . A A . 28 GLN CD 1 1 2 1105 1 1 28 GLN CG C 12.837 1.243 1.400 1.00 . A A . 28 GLN CG 1 1 2 1106 1 1 28 GLN H H 11.461 4.602 1.679 1.00 . A A . 28 GLN H 1 1 2 1107 1 1 28 GLN HA H 11.587 2.539 -0.492 1.00 . A A . 28 GLN HA 1 1 2 1108 1 1 28 GLN HB2 H 11.270 2.221 2.496 1.00 . A A . 28 GLN HB2 1 1 2 1109 1 1 28 GLN HB3 H 10.708 0.977 1.384 1.00 . A A . 28 GLN HB3 1 1 2 1110 1 1 28 GLN HE21 H 12.478 -1.263 0.824 1.00 . A A . 28 GLN HE21 1 1 2 1111 1 1 28 GLN HE22 H 12.864 -1.265 -0.830 1.00 . A A . 28 GLN HE22 1 1 2 1112 1 1 28 GLN HG2 H 13.538 2.062 1.443 1.00 . A A . 28 GLN HG2 1 1 2 1113 1 1 28 GLN HG3 H 13.029 0.562 2.216 1.00 . A A . 28 GLN HG3 1 1 2 1114 1 1 28 GLN N N 11.784 4.151 0.871 1.00 . A A . 28 GLN N 1 1 2 1115 1 1 28 GLN NE2 N 12.761 -0.782 0.018 1.00 . A A . 28 GLN NE2 1 1 2 1116 1 1 28 GLN O O 9.161 4.169 0.265 1.00 . A A . 28 GLN O 1 1 2 1117 1 1 28 GLN OE1 O 13.347 1.093 -0.930 1.00 . A A . 28 GLN OE1 1 1 2 1118 1 1 29 SER C C 6.803 1.174 1.027 1.00 . A A . 29 SER C 1 1 2 1119 1 1 29 SER CA C 7.446 2.083 -0.016 1.00 . A A . 29 SER CA 1 1 2 1120 1 1 29 SER CB C 7.045 1.616 -1.413 1.00 . A A . 29 SER CB 1 1 2 1121 1 1 29 SER H H 9.358 1.106 0.159 1.00 . A A . 29 SER H 1 1 2 1122 1 1 29 SER HA H 7.122 3.102 0.138 1.00 . A A . 29 SER HA 1 1 2 1123 1 1 29 SER HB2 H 7.215 0.556 -1.505 1.00 . A A . 29 SER HB2 1 1 2 1124 1 1 29 SER HB3 H 5.999 1.823 -1.566 1.00 . A A . 29 SER HB3 1 1 2 1125 1 1 29 SER HG H 7.402 2.191 -3.236 1.00 . A A . 29 SER HG 1 1 2 1126 1 1 29 SER N N 8.928 1.987 0.143 1.00 . A A . 29 SER N 1 1 2 1127 1 1 29 SER O O 7.090 0.030 1.082 1.00 . A A . 29 SER O 1 1 2 1128 1 1 29 SER OG O 7.825 2.303 -2.382 1.00 . A A . 29 SER OG 1 1 2 1129 1 1 30 SER C C 3.826 0.706 2.636 1.00 . A A . 30 SER C 1 1 2 1130 1 1 30 SER CA C 5.318 0.853 2.909 1.00 . A A . 30 SER CA 1 1 2 1131 1 1 30 SER CB C 5.523 1.505 4.279 1.00 . A A . 30 SER CB 1 1 2 1132 1 1 30 SER H H 5.727 2.635 1.813 1.00 . A A . 30 SER H 1 1 2 1133 1 1 30 SER HA H 5.780 -0.106 2.901 1.00 . A A . 30 SER HA 1 1 2 1134 1 1 30 SER HB2 H 5.569 0.743 5.039 1.00 . A A . 30 SER HB2 1 1 2 1135 1 1 30 SER HB3 H 6.449 2.061 4.276 1.00 . A A . 30 SER HB3 1 1 2 1136 1 1 30 SER HG H 4.509 3.137 3.974 1.00 . A A . 30 SER HG 1 1 2 1137 1 1 30 SER N N 5.948 1.698 1.864 1.00 . A A . 30 SER N 1 1 2 1138 1 1 30 SER O O 3.094 1.676 2.604 1.00 . A A . 30 SER O 1 1 2 1139 1 1 30 SER OG O 4.433 2.374 4.552 1.00 . A A . 30 SER OG 1 1 2 1140 1 1 31 CYS C C 1.119 -0.309 3.441 1.00 . A A . 31 CYS C 1 1 2 1141 1 1 31 CYS CA C 1.915 -0.675 2.190 1.00 . A A . 31 CYS CA 1 1 2 1142 1 1 31 CYS CB C 1.610 -2.116 1.775 1.00 . A A . 31 CYS CB 1 1 2 1143 1 1 31 CYS H H 3.960 -1.272 2.483 1.00 . A A . 31 CYS H 1 1 2 1144 1 1 31 CYS HA H 1.630 -0.010 1.395 1.00 . A A . 31 CYS HA 1 1 2 1145 1 1 31 CYS HB2 H 2.527 -2.637 1.563 1.00 . A A . 31 CYS HB2 1 1 2 1146 1 1 31 CYS HB3 H 1.087 -2.624 2.571 1.00 . A A . 31 CYS HB3 1 1 2 1147 1 1 31 CYS N N 3.363 -0.497 2.449 1.00 . A A . 31 CYS N 1 1 2 1148 1 1 31 CYS O O 1.537 -0.556 4.554 1.00 . A A . 31 CYS O 1 1 2 1149 1 1 31 CYS SG S 0.573 -2.084 0.291 1.00 . A A . 31 CYS SG 1 1 2 1150 1 1 32 GLU C C -2.334 0.589 4.023 1.00 . A A . 32 GLU C 1 1 2 1151 1 1 32 GLU CA C -0.859 0.680 4.417 1.00 . A A . 32 GLU CA 1 1 2 1152 1 1 32 GLU CB C -0.484 2.118 4.825 1.00 . A A . 32 GLU CB 1 1 2 1153 1 1 32 GLU CD C -1.129 4.529 4.727 1.00 . A A . 32 GLU CD 1 1 2 1154 1 1 32 GLU CG C -1.572 3.101 4.400 1.00 . A A . 32 GLU CG 1 1 2 1155 1 1 32 GLU H H -0.350 0.481 2.299 1.00 . A A . 32 GLU H 1 1 2 1156 1 1 32 GLU HA H -0.674 0.016 5.245 1.00 . A A . 32 GLU HA 1 1 2 1157 1 1 32 GLU HB2 H -0.360 2.166 5.898 1.00 . A A . 32 GLU HB2 1 1 2 1158 1 1 32 GLU HB3 H 0.448 2.391 4.349 1.00 . A A . 32 GLU HB3 1 1 2 1159 1 1 32 GLU HG2 H -1.746 3.014 3.337 1.00 . A A . 32 GLU HG2 1 1 2 1160 1 1 32 GLU HG3 H -2.479 2.877 4.937 1.00 . A A . 32 GLU HG3 1 1 2 1161 1 1 32 GLU N N -0.023 0.284 3.257 1.00 . A A . 32 GLU N 1 1 2 1162 1 1 32 GLU O O -2.731 1.037 2.964 1.00 . A A . 32 GLU O 1 1 2 1163 1 1 32 GLU OE1 O 0.045 4.817 4.557 1.00 . A A . 32 GLU OE1 1 1 2 1164 1 1 32 GLU OE2 O -1.971 5.311 5.136 1.00 . A A . 32 GLU OE2 1 1 2 1165 1 1 33 ARG C C -5.125 1.369 4.392 1.00 . A A . 33 ARG C 1 1 2 1166 1 1 33 ARG CA C -4.597 -0.065 4.503 1.00 . A A . 33 ARG CA 1 1 2 1167 1 1 33 ARG CB C -5.365 -0.840 5.595 1.00 . A A . 33 ARG CB 1 1 2 1168 1 1 33 ARG CD C -7.780 -1.630 5.532 1.00 . A A . 33 ARG CD 1 1 2 1169 1 1 33 ARG CG C -6.373 -1.820 4.947 1.00 . A A . 33 ARG CG 1 1 2 1170 1 1 33 ARG CZ C -9.178 -3.137 6.831 1.00 . A A . 33 ARG CZ 1 1 2 1171 1 1 33 ARG H H -2.835 -0.341 5.711 1.00 . A A . 33 ARG H 1 1 2 1172 1 1 33 ARG HA H -4.701 -0.562 3.550 1.00 . A A . 33 ARG HA 1 1 2 1173 1 1 33 ARG HB2 H -4.657 -1.398 6.194 1.00 . A A . 33 ARG HB2 1 1 2 1174 1 1 33 ARG HB3 H -5.891 -0.143 6.228 1.00 . A A . 33 ARG HB3 1 1 2 1175 1 1 33 ARG HD2 H -7.894 -0.619 5.891 1.00 . A A . 33 ARG HD2 1 1 2 1176 1 1 33 ARG HD3 H -8.509 -1.812 4.763 1.00 . A A . 33 ARG HD3 1 1 2 1177 1 1 33 ARG HE H -7.225 -2.823 7.293 1.00 . A A . 33 ARG HE 1 1 2 1178 1 1 33 ARG HG2 H -6.410 -1.655 3.882 1.00 . A A . 33 ARG HG2 1 1 2 1179 1 1 33 ARG HG3 H -6.050 -2.835 5.135 1.00 . A A . 33 ARG HG3 1 1 2 1180 1 1 33 ARG HH11 H -10.034 -2.163 5.304 1.00 . A A . 33 ARG HH11 1 1 2 1181 1 1 33 ARG HH12 H -11.067 -3.245 6.177 1.00 . A A . 33 ARG HH12 1 1 2 1182 1 1 33 ARG HH21 H -8.606 -4.232 8.405 1.00 . A A . 33 ARG HH21 1 1 2 1183 1 1 33 ARG HH22 H -10.261 -4.412 7.928 1.00 . A A . 33 ARG HH22 1 1 2 1184 1 1 33 ARG N N -3.158 0.017 4.857 1.00 . A A . 33 ARG N 1 1 2 1185 1 1 33 ARG NE N -7.999 -2.590 6.655 1.00 . A A . 33 ARG NE 1 1 2 1186 1 1 33 ARG NH1 N -10.171 -2.823 6.043 1.00 . A A . 33 ARG NH1 1 1 2 1187 1 1 33 ARG NH2 N -9.362 -3.993 7.797 1.00 . A A . 33 ARG NH2 1 1 2 1188 1 1 33 ARG O O -5.200 2.085 5.370 1.00 . A A . 33 ARG O 1 1 2 1189 1 1 34 LYS C C -7.307 3.402 3.678 1.00 . A A . 34 LYS C 1 1 2 1190 1 1 34 LYS CA C -5.928 3.207 3.043 1.00 . A A . 34 LYS CA 1 1 2 1191 1 1 34 LYS CB C -5.992 3.568 1.556 1.00 . A A . 34 LYS CB 1 1 2 1192 1 1 34 LYS CD C -6.823 2.860 -0.693 1.00 . A A . 34 LYS CD 1 1 2 1193 1 1 34 LYS CE C -7.508 1.739 -1.473 1.00 . A A . 34 LYS CE 1 1 2 1194 1 1 34 LYS CG C -6.682 2.448 0.773 1.00 . A A . 34 LYS CG 1 1 2 1195 1 1 34 LYS H H -5.353 1.239 2.433 1.00 . A A . 34 LYS H 1 1 2 1196 1 1 34 LYS HA H -5.231 3.854 3.527 1.00 . A A . 34 LYS HA 1 1 2 1197 1 1 34 LYS HB2 H -6.550 4.486 1.435 1.00 . A A . 34 LYS HB2 1 1 2 1198 1 1 34 LYS HB3 H -4.991 3.704 1.177 1.00 . A A . 34 LYS HB3 1 1 2 1199 1 1 34 LYS HD2 H -7.418 3.758 -0.758 1.00 . A A . 34 LYS HD2 1 1 2 1200 1 1 34 LYS HD3 H -5.844 3.043 -1.112 1.00 . A A . 34 LYS HD3 1 1 2 1201 1 1 34 LYS HE2 H -6.901 0.845 -1.429 1.00 . A A . 34 LYS HE2 1 1 2 1202 1 1 34 LYS HE3 H -8.475 1.538 -1.038 1.00 . A A . 34 LYS HE3 1 1 2 1203 1 1 34 LYS HG2 H -6.092 1.547 0.836 1.00 . A A . 34 LYS HG2 1 1 2 1204 1 1 34 LYS HG3 H -7.662 2.268 1.189 1.00 . A A . 34 LYS HG3 1 1 2 1205 1 1 34 LYS HZ1 H -6.755 2.349 -3.307 1.00 . A A . 34 LYS HZ1 1 1 2 1206 1 1 34 LYS HZ2 H -8.138 1.400 -3.420 1.00 . A A . 34 LYS HZ2 1 1 2 1207 1 1 34 LYS HZ3 H -8.257 3.006 -2.934 1.00 . A A . 34 LYS HZ3 1 1 2 1208 1 1 34 LYS N N -5.451 1.812 3.209 1.00 . A A . 34 LYS N 1 1 2 1209 1 1 34 LYS NZ N -7.678 2.155 -2.893 1.00 . A A . 34 LYS NZ 1 1 2 1210 1 1 34 LYS O O -7.760 4.514 3.858 1.00 . A A . 34 LYS O 1 1 2 1211 1 1 35 TRP C C -10.238 3.283 3.700 1.00 . A A . 35 TRP C 1 1 2 1212 1 1 35 TRP CA C -9.328 2.490 4.639 1.00 . A A . 35 TRP CA 1 1 2 1213 1 1 35 TRP CB C -9.211 3.246 5.968 1.00 . A A . 35 TRP CB 1 1 2 1214 1 1 35 TRP CD1 C -6.860 3.236 6.887 1.00 . A A . 35 TRP CD1 1 1 2 1215 1 1 35 TRP CD2 C -8.072 1.472 7.579 1.00 . A A . 35 TRP CD2 1 1 2 1216 1 1 35 TRP CE2 C -6.791 1.336 8.159 1.00 . A A . 35 TRP CE2 1 1 2 1217 1 1 35 TRP CE3 C -9.038 0.488 7.858 1.00 . A A . 35 TRP CE3 1 1 2 1218 1 1 35 TRP CG C -8.088 2.682 6.771 1.00 . A A . 35 TRP CG 1 1 2 1219 1 1 35 TRP CH2 C -7.445 -0.711 9.257 1.00 . A A . 35 TRP CH2 1 1 2 1220 1 1 35 TRP CZ2 C -6.475 0.259 8.988 1.00 . A A . 35 TRP CZ2 1 1 2 1221 1 1 35 TRP CZ3 C -8.724 -0.598 8.694 1.00 . A A . 35 TRP CZ3 1 1 2 1222 1 1 35 TRP H H -7.595 1.455 3.865 1.00 . A A . 35 TRP H 1 1 2 1223 1 1 35 TRP HA H -9.753 1.512 4.815 1.00 . A A . 35 TRP HA 1 1 2 1224 1 1 35 TRP HB2 H -9.022 4.292 5.773 1.00 . A A . 35 TRP HB2 1 1 2 1225 1 1 35 TRP HB3 H -10.133 3.146 6.520 1.00 . A A . 35 TRP HB3 1 1 2 1226 1 1 35 TRP HD1 H -6.536 4.149 6.410 1.00 . A A . 35 TRP HD1 1 1 2 1227 1 1 35 TRP HE1 H -5.154 2.609 7.950 1.00 . A A . 35 TRP HE1 1 1 2 1228 1 1 35 TRP HE3 H -10.024 0.566 7.429 1.00 . A A . 35 TRP HE3 1 1 2 1229 1 1 35 TRP HH2 H -7.209 -1.546 9.899 1.00 . A A . 35 TRP HH2 1 1 2 1230 1 1 35 TRP HZ2 H -5.488 0.176 9.418 1.00 . A A . 35 TRP HZ2 1 1 2 1231 1 1 35 TRP HZ3 H -9.472 -1.347 8.903 1.00 . A A . 35 TRP HZ3 1 1 2 1232 1 1 35 TRP N N -7.978 2.344 4.017 1.00 . A A . 35 TRP N 1 1 2 1233 1 1 35 TRP NE1 N -6.086 2.434 7.707 1.00 . A A . 35 TRP NE1 1 1 2 1234 1 1 35 TRP O O -9.964 3.415 2.526 1.00 . A A . 35 TRP O 1 1 2 1235 1 1 36 LYS C C -13.367 3.712 2.846 1.00 . A A . 36 LYS C 1 1 2 1236 1 1 36 LYS CA C -12.286 4.618 3.427 1.00 . A A . 36 LYS CA 1 1 2 1237 1 1 36 LYS CB C -11.582 5.369 2.300 1.00 . A A . 36 LYS CB 1 1 2 1238 1 1 36 LYS CD C -10.010 7.240 1.772 1.00 . A A . 36 LYS CD 1 1 2 1239 1 1 36 LYS CE C -9.175 8.367 2.375 1.00 . A A . 36 LYS CE 1 1 2 1240 1 1 36 LYS CG C -10.690 6.458 2.896 1.00 . A A . 36 LYS CG 1 1 2 1241 1 1 36 LYS H H -11.489 3.677 5.176 1.00 . A A . 36 LYS H 1 1 2 1242 1 1 36 LYS HA H -12.758 5.335 4.084 1.00 . A A . 36 LYS HA 1 1 2 1243 1 1 36 LYS HB2 H -10.989 4.685 1.724 1.00 . A A . 36 LYS HB2 1 1 2 1244 1 1 36 LYS HB3 H -12.322 5.828 1.664 1.00 . A A . 36 LYS HB3 1 1 2 1245 1 1 36 LYS HD2 H -9.372 6.576 1.206 1.00 . A A . 36 LYS HD2 1 1 2 1246 1 1 36 LYS HD3 H -10.763 7.659 1.120 1.00 . A A . 36 LYS HD3 1 1 2 1247 1 1 36 LYS HE2 H -9.816 9.028 2.939 1.00 . A A . 36 LYS HE2 1 1 2 1248 1 1 36 LYS HE3 H -8.426 7.948 3.032 1.00 . A A . 36 LYS HE3 1 1 2 1249 1 1 36 LYS HG2 H -11.288 7.129 3.493 1.00 . A A . 36 LYS HG2 1 1 2 1250 1 1 36 LYS HG3 H -9.935 5.999 3.518 1.00 . A A . 36 LYS HG3 1 1 2 1251 1 1 36 LYS HZ1 H -9.222 9.534 0.660 1.00 . A A . 36 LYS HZ1 1 1 2 1252 1 1 36 LYS HZ2 H -7.945 9.893 1.694 1.00 . A A . 36 LYS HZ2 1 1 2 1253 1 1 36 LYS HZ3 H -7.896 8.504 0.746 1.00 . A A . 36 LYS HZ3 1 1 2 1254 1 1 36 LYS N N -11.318 3.808 4.229 1.00 . A A . 36 LYS N 1 1 2 1255 1 1 36 LYS NZ N -8.508 9.134 1.285 1.00 . A A . 36 LYS NZ 1 1 2 1256 1 1 36 LYS O O -14.283 4.171 2.191 1.00 . A A . 36 LYS O 1 1 2 1257 1 1 37 TYR C C -14.786 0.561 3.652 1.00 . A A . 37 TYR C 1 1 2 1258 1 1 37 TYR CA C -14.311 1.503 2.544 1.00 . A A . 37 TYR CA 1 1 2 1259 1 1 37 TYR CB C -13.728 0.702 1.372 1.00 . A A . 37 TYR CB 1 1 2 1260 1 1 37 TYR CD1 C -11.236 0.750 1.718 1.00 . A A . 37 TYR CD1 1 1 2 1261 1 1 37 TYR CD2 C -12.434 -1.304 2.192 1.00 . A A . 37 TYR CD2 1 1 2 1262 1 1 37 TYR CE1 C -10.033 0.130 2.072 1.00 . A A . 37 TYR CE1 1 1 2 1263 1 1 37 TYR CE2 C -11.230 -1.922 2.551 1.00 . A A . 37 TYR CE2 1 1 2 1264 1 1 37 TYR CG C -12.437 0.034 1.778 1.00 . A A . 37 TYR CG 1 1 2 1265 1 1 37 TYR CZ C -10.030 -1.204 2.490 1.00 . A A . 37 TYR CZ 1 1 2 1266 1 1 37 TYR H H -12.493 2.063 3.638 1.00 . A A . 37 TYR H 1 1 2 1267 1 1 37 TYR HA H -15.157 2.076 2.191 1.00 . A A . 37 TYR HA 1 1 2 1268 1 1 37 TYR HB2 H -14.437 -0.050 1.066 1.00 . A A . 37 TYR HB2 1 1 2 1269 1 1 37 TYR HB3 H -13.538 1.370 0.545 1.00 . A A . 37 TYR HB3 1 1 2 1270 1 1 37 TYR HD1 H -11.239 1.781 1.399 1.00 . A A . 37 TYR HD1 1 1 2 1271 1 1 37 TYR HD2 H -13.357 -1.860 2.237 1.00 . A A . 37 TYR HD2 1 1 2 1272 1 1 37 TYR HE1 H -9.108 0.682 2.024 1.00 . A A . 37 TYR HE1 1 1 2 1273 1 1 37 TYR HE2 H -11.226 -2.952 2.875 1.00 . A A . 37 TYR HE2 1 1 2 1274 1 1 37 TYR HH H -8.142 -1.164 2.758 1.00 . A A . 37 TYR HH 1 1 2 1275 1 1 37 TYR N N -13.277 2.432 3.081 1.00 . A A . 37 TYR N 1 1 2 1276 1 1 37 TYR O O -14.380 -0.579 3.732 1.00 . A A . 37 TYR O 1 1 2 1277 1 1 37 TYR OH O -8.845 -1.815 2.831 1.00 . A A . 37 TYR OH 1 1 2 1278 1 1 38 LEU C C -16.963 -0.974 4.966 1.00 . A A . 38 LEU C 1 1 2 1279 1 1 38 LEU CA C -16.167 0.169 5.593 1.00 . A A . 38 LEU CA 1 1 2 1280 1 1 38 LEU CB C -17.064 1.006 6.529 1.00 . A A . 38 LEU CB 1 1 2 1281 1 1 38 LEU CD1 C -14.971 1.397 7.902 1.00 . A A . 38 LEU CD1 1 1 2 1282 1 1 38 LEU CD2 C -17.207 2.136 8.757 1.00 . A A . 38 LEU CD2 1 1 2 1283 1 1 38 LEU CG C -16.471 1.062 7.949 1.00 . A A . 38 LEU CG 1 1 2 1284 1 1 38 LEU H H -15.973 1.946 4.424 1.00 . A A . 38 LEU H 1 1 2 1285 1 1 38 LEU HA H -15.338 -0.233 6.137 1.00 . A A . 38 LEU HA 1 1 2 1286 1 1 38 LEU HB2 H -17.142 2.010 6.138 1.00 . A A . 38 LEU HB2 1 1 2 1287 1 1 38 LEU HB3 H -18.050 0.566 6.574 1.00 . A A . 38 LEU HB3 1 1 2 1288 1 1 38 LEU HD11 H -14.400 0.502 8.115 1.00 . A A . 38 LEU HD11 1 1 2 1289 1 1 38 LEU HD12 H -14.743 2.149 8.644 1.00 . A A . 38 LEU HD12 1 1 2 1290 1 1 38 LEU HD13 H -14.705 1.769 6.923 1.00 . A A . 38 LEU HD13 1 1 2 1291 1 1 38 LEU HD21 H -16.954 3.114 8.373 1.00 . A A . 38 LEU HD21 1 1 2 1292 1 1 38 LEU HD22 H -16.912 2.072 9.794 1.00 . A A . 38 LEU HD22 1 1 2 1293 1 1 38 LEU HD23 H -18.273 1.982 8.676 1.00 . A A . 38 LEU HD23 1 1 2 1294 1 1 38 LEU HG H -16.607 0.103 8.426 1.00 . A A . 38 LEU HG 1 1 2 1295 1 1 38 LEU N N -15.655 1.032 4.504 1.00 . A A . 38 LEU N 1 1 2 1296 1 1 38 LEU O O -17.419 -0.871 3.846 1.00 . A A . 38 LEU O 1 1 2 1297 1 1 39 PHE C C -18.041 -3.080 3.605 1.00 . A A . 39 PHE C 1 1 2 1298 1 1 39 PHE CA C -17.847 -3.250 5.117 1.00 . A A . 39 PHE CA 1 1 2 1299 1 1 39 PHE CB C -19.207 -3.380 5.819 1.00 . A A . 39 PHE CB 1 1 2 1300 1 1 39 PHE CD1 C -19.757 -5.759 5.194 1.00 . A A . 39 PHE CD1 1 1 2 1301 1 1 39 PHE CD2 C -19.339 -5.232 7.523 1.00 . A A . 39 PHE CD2 1 1 2 1302 1 1 39 PHE CE1 C -19.970 -7.099 5.536 1.00 . A A . 39 PHE CE1 1 1 2 1303 1 1 39 PHE CE2 C -19.553 -6.571 7.866 1.00 . A A . 39 PHE CE2 1 1 2 1304 1 1 39 PHE CG C -19.442 -4.826 6.188 1.00 . A A . 39 PHE CG 1 1 2 1305 1 1 39 PHE CZ C -19.869 -7.506 6.871 1.00 . A A . 39 PHE CZ 1 1 2 1306 1 1 39 PHE H H -16.712 -2.124 6.566 1.00 . A A . 39 PHE H 1 1 2 1307 1 1 39 PHE HA H -17.263 -4.141 5.297 1.00 . A A . 39 PHE HA 1 1 2 1308 1 1 39 PHE HB2 H -19.207 -2.777 6.715 1.00 . A A . 39 PHE HB2 1 1 2 1309 1 1 39 PHE HB3 H -19.996 -3.045 5.162 1.00 . A A . 39 PHE HB3 1 1 2 1310 1 1 39 PHE HD1 H -19.835 -5.446 4.163 1.00 . A A . 39 PHE HD1 1 1 2 1311 1 1 39 PHE HD2 H -19.097 -4.511 8.289 1.00 . A A . 39 PHE HD2 1 1 2 1312 1 1 39 PHE HE1 H -20.212 -7.821 4.768 1.00 . A A . 39 PHE HE1 1 1 2 1313 1 1 39 PHE HE2 H -19.475 -6.884 8.897 1.00 . A A . 39 PHE HE2 1 1 2 1314 1 1 39 PHE HZ H -20.033 -8.540 7.136 1.00 . A A . 39 PHE HZ 1 1 2 1315 1 1 39 PHE N N -17.109 -2.069 5.672 1.00 . A A . 39 PHE N 1 1 2 1316 1 1 39 PHE O O -19.095 -2.702 3.132 1.00 . A A . 39 PHE O 1 1 2 1317 1 1 40 THR C C -15.935 -3.946 0.724 1.00 . A A . 40 THR C 1 1 2 1318 1 1 40 THR CA C -17.101 -3.190 1.371 1.00 . A A . 40 THR CA 1 1 2 1319 1 1 40 THR CB C -17.026 -1.694 1.033 1.00 . A A . 40 THR CB 1 1 2 1320 1 1 40 THR CG2 C -16.867 -1.482 -0.478 1.00 . A A . 40 THR CG2 1 1 2 1321 1 1 40 THR H H -16.169 -3.636 3.258 1.00 . A A . 40 THR H 1 1 2 1322 1 1 40 THR HA H -18.038 -3.597 1.019 1.00 . A A . 40 THR HA 1 1 2 1323 1 1 40 THR HB H -16.181 -1.262 1.543 1.00 . A A . 40 THR HB 1 1 2 1324 1 1 40 THR HG1 H -18.798 -0.957 0.722 1.00 . A A . 40 THR HG1 1 1 2 1325 1 1 40 THR HG21 H -16.138 -2.172 -0.873 1.00 . A A . 40 THR HG21 1 1 2 1326 1 1 40 THR HG22 H -16.536 -0.468 -0.663 1.00 . A A . 40 THR HG22 1 1 2 1327 1 1 40 THR HG23 H -17.816 -1.640 -0.967 1.00 . A A . 40 THR HG23 1 1 2 1328 1 1 40 THR N N -17.012 -3.345 2.850 1.00 . A A . 40 THR N 1 1 2 1329 1 1 40 THR O O -14.849 -4.009 1.265 1.00 . A A . 40 THR O 1 1 2 1330 1 1 40 THR OG1 O -18.214 -1.056 1.477 1.00 . A A . 40 THR OG1 1 1 2 1331 1 1 41 GLY C C -13.862 -4.358 -1.360 1.00 . A A . 41 GLY C 1 1 2 1332 1 1 41 GLY CA C -15.053 -5.284 -1.096 1.00 . A A . 41 GLY CA 1 1 2 1333 1 1 41 GLY H H -17.034 -4.471 -0.845 1.00 . A A . 41 GLY H 1 1 2 1334 1 1 41 GLY HA2 H -14.740 -6.099 -0.459 1.00 . A A . 41 GLY HA2 1 1 2 1335 1 1 41 GLY HA3 H -15.411 -5.679 -2.035 1.00 . A A . 41 GLY HA3 1 1 2 1336 1 1 41 GLY N N -16.150 -4.527 -0.426 1.00 . A A . 41 GLY N 1 1 2 1337 1 1 41 GLY O O -14.021 -3.183 -1.624 1.00 . A A . 41 GLY O 1 1 2 1338 1 1 42 GLU C C -10.407 -4.870 -2.284 1.00 . A A . 42 GLU C 1 1 2 1339 1 1 42 GLU CA C -11.457 -4.046 -1.530 1.00 . A A . 42 GLU CA 1 1 2 1340 1 1 42 GLU CB C -10.875 -3.594 -0.188 1.00 . A A . 42 GLU CB 1 1 2 1341 1 1 42 GLU CD C -8.634 -2.618 0.440 1.00 . A A . 42 GLU CD 1 1 2 1342 1 1 42 GLU CG C -9.897 -2.423 -0.408 1.00 . A A . 42 GLU CG 1 1 2 1343 1 1 42 GLU H H -12.561 -5.883 -1.061 1.00 . A A . 42 GLU H 1 1 2 1344 1 1 42 GLU HA H -11.725 -3.178 -2.117 1.00 . A A . 42 GLU HA 1 1 2 1345 1 1 42 GLU HB2 H -11.682 -3.272 0.456 1.00 . A A . 42 GLU HB2 1 1 2 1346 1 1 42 GLU HB3 H -10.358 -4.421 0.273 1.00 . A A . 42 GLU HB3 1 1 2 1347 1 1 42 GLU HG2 H -9.619 -2.372 -1.448 1.00 . A A . 42 GLU HG2 1 1 2 1348 1 1 42 GLU HG3 H -10.374 -1.497 -0.120 1.00 . A A . 42 GLU HG3 1 1 2 1349 1 1 42 GLU N N -12.668 -4.884 -1.287 1.00 . A A . 42 GLU N 1 1 2 1350 1 1 42 GLU O O -10.409 -6.083 -2.239 1.00 . A A . 42 GLU O 1 1 2 1351 1 1 42 GLU OE1 O -8.633 -3.503 1.277 1.00 . A A . 42 GLU OE1 1 1 2 1352 1 1 42 GLU OE2 O -7.688 -1.874 0.233 1.00 . A A . 42 GLU OE2 1 1 2 1353 1 1 43 CYS C C -9.113 -5.758 -4.858 1.00 . A A . 43 CYS C 1 1 2 1354 1 1 43 CYS CA C -8.457 -4.960 -3.731 1.00 . A A . 43 CYS CA 1 1 2 1355 1 1 43 CYS CB C -7.697 -5.902 -2.775 1.00 . A A . 43 CYS CB 1 1 2 1356 1 1 43 CYS H H -9.526 -3.240 -2.998 1.00 . A A . 43 CYS H 1 1 2 1357 1 1 43 CYS HXT H -9.931 -7.044 -3.827 1.00 . A A . 43 CYS HXT 1 1 2 1358 1 1 43 CYS HA H -7.763 -4.250 -4.157 1.00 . A A . 43 CYS HA 1 1 2 1359 1 1 43 CYS HB2 H -6.642 -5.676 -2.809 1.00 . A A . 43 CYS HB2 1 1 2 1360 1 1 43 CYS HB3 H -8.059 -5.757 -1.769 1.00 . A A . 43 CYS HB3 1 1 2 1361 1 1 43 CYS N N -9.509 -4.219 -2.975 1.00 . A A . 43 CYS N 1 1 2 1362 1 1 43 CYS O O -8.595 -5.720 -5.962 1.00 . A A . 43 CYS O 1 1 2 1363 1 1 43 CYS OXT O -10.123 -6.391 -4.599 1.00 . A A . 43 CYS OXT 1 1 2 1364 1 1 43 CYS SG S -7.947 -7.635 -3.257 1.00 . A A . 43 CYS SG 1 1 3 1365 1 1 1 CYS C C 3.823 -8.321 0.505 1.00 . A A . 1 CYS C 1 1 3 1366 1 1 1 CYS CA C 3.712 -9.051 -0.837 1.00 . A A . 1 CYS CA 1 1 3 1367 1 1 1 CYS CB C 2.263 -9.519 -1.019 1.00 . A A . 1 CYS CB 1 1 3 1368 1 1 1 CYS H1 H 5.590 -9.921 -0.723 1.00 . A A . 1 CYS H1 1 1 3 1369 1 1 1 CYS H2 H 4.360 -10.868 -0.076 1.00 . A A . 1 CYS H2 1 1 3 1370 1 1 1 CYS H3 H 4.527 -10.730 -1.743 1.00 . A A . 1 CYS H3 1 1 3 1371 1 1 1 CYS HA H 3.980 -8.383 -1.642 1.00 . A A . 1 CYS HA 1 1 3 1372 1 1 1 CYS HB2 H 1.624 -8.662 -1.133 1.00 . A A . 1 CYS HB2 1 1 3 1373 1 1 1 CYS HB3 H 2.183 -10.143 -1.896 1.00 . A A . 1 CYS HB3 1 1 3 1374 1 1 1 CYS N N 4.617 -10.233 -0.846 1.00 . A A . 1 CYS N 1 1 3 1375 1 1 1 CYS O O 3.680 -8.921 1.553 1.00 . A A . 1 CYS O 1 1 3 1376 1 1 1 CYS SG S 1.755 -10.463 0.442 1.00 . A A . 1 CYS SG 1 1 3 1377 1 1 2 GLY C C 2.741 -6.226 2.408 1.00 . A A . 2 GLY C 1 1 3 1378 1 1 2 GLY CA C 4.142 -6.299 1.792 1.00 . A A . 2 GLY CA 1 1 3 1379 1 1 2 GLY H H 4.161 -6.546 -0.353 1.00 . A A . 2 GLY H 1 1 3 1380 1 1 2 GLY HA2 H 4.810 -6.822 2.462 1.00 . A A . 2 GLY HA2 1 1 3 1381 1 1 2 GLY HA3 H 4.511 -5.298 1.619 1.00 . A A . 2 GLY HA3 1 1 3 1382 1 1 2 GLY N N 4.057 -7.032 0.498 1.00 . A A . 2 GLY N 1 1 3 1383 1 1 2 GLY O O 1.764 -5.989 1.724 1.00 . A A . 2 GLY O 1 1 3 1384 1 1 3 SER C C 1.160 -5.005 5.056 1.00 . A A . 3 SER C 1 1 3 1385 1 1 3 SER CA C 1.303 -6.366 4.368 1.00 . A A . 3 SER CA 1 1 3 1386 1 1 3 SER CB C 1.219 -7.475 5.416 1.00 . A A . 3 SER CB 1 1 3 1387 1 1 3 SER H H 3.438 -6.613 4.223 1.00 . A A . 3 SER H 1 1 3 1388 1 1 3 SER HA H 0.515 -6.493 3.638 1.00 . A A . 3 SER HA 1 1 3 1389 1 1 3 SER HB2 H 1.171 -8.436 4.928 1.00 . A A . 3 SER HB2 1 1 3 1390 1 1 3 SER HB3 H 2.099 -7.438 6.044 1.00 . A A . 3 SER HB3 1 1 3 1391 1 1 3 SER HG H 0.319 -7.253 7.125 1.00 . A A . 3 SER HG 1 1 3 1392 1 1 3 SER N N 2.636 -6.425 3.695 1.00 . A A . 3 SER N 1 1 3 1393 1 1 3 SER O O 1.551 -3.992 4.519 1.00 . A A . 3 SER O 1 1 3 1394 1 1 3 SER OG O 0.050 -7.293 6.204 1.00 . A A . 3 SER OG 1 1 3 1395 1 1 4 LYS C C 1.900 -3.086 7.138 1.00 . A A . 4 LYS C 1 1 3 1396 1 1 4 LYS CA C 0.494 -3.651 6.941 1.00 . A A . 4 LYS CA 1 1 3 1397 1 1 4 LYS CB C -0.181 -3.864 8.307 1.00 . A A . 4 LYS CB 1 1 3 1398 1 1 4 LYS CD C 0.126 -1.658 9.469 1.00 . A A . 4 LYS CD 1 1 3 1399 1 1 4 LYS CE C -0.572 -0.410 10.011 1.00 . A A . 4 LYS CE 1 1 3 1400 1 1 4 LYS CG C -0.886 -2.579 8.781 1.00 . A A . 4 LYS CG 1 1 3 1401 1 1 4 LYS H H 0.324 -5.788 6.681 1.00 . A A . 4 LYS H 1 1 3 1402 1 1 4 LYS HA H -0.090 -2.974 6.336 1.00 . A A . 4 LYS HA 1 1 3 1403 1 1 4 LYS HB2 H -0.908 -4.657 8.220 1.00 . A A . 4 LYS HB2 1 1 3 1404 1 1 4 LYS HB3 H 0.567 -4.149 9.033 1.00 . A A . 4 LYS HB3 1 1 3 1405 1 1 4 LYS HD2 H 0.598 -2.188 10.284 1.00 . A A . 4 LYS HD2 1 1 3 1406 1 1 4 LYS HD3 H 0.872 -1.359 8.750 1.00 . A A . 4 LYS HD3 1 1 3 1407 1 1 4 LYS HE2 H -1.039 0.125 9.198 1.00 . A A . 4 LYS HE2 1 1 3 1408 1 1 4 LYS HE3 H -1.323 -0.700 10.730 1.00 . A A . 4 LYS HE3 1 1 3 1409 1 1 4 LYS HG2 H -1.317 -2.068 7.935 1.00 . A A . 4 LYS HG2 1 1 3 1410 1 1 4 LYS HG3 H -1.668 -2.834 9.482 1.00 . A A . 4 LYS HG3 1 1 3 1411 1 1 4 LYS HZ1 H -0.045 1.298 11.078 1.00 . A A . 4 LYS HZ1 1 1 3 1412 1 1 4 LYS HZ2 H 1.137 0.785 9.976 1.00 . A A . 4 LYS HZ2 1 1 3 1413 1 1 4 LYS HZ3 H 0.910 -0.060 11.434 1.00 . A A . 4 LYS HZ3 1 1 3 1414 1 1 4 LYS N N 0.625 -4.964 6.244 1.00 . A A . 4 LYS N 1 1 3 1415 1 1 4 LYS NZ N 0.433 0.469 10.675 1.00 . A A . 4 LYS NZ 1 1 3 1416 1 1 4 LYS O O 2.780 -3.767 7.623 1.00 . A A . 4 LYS O 1 1 3 1417 1 1 5 ARG C C 4.521 -2.310 6.481 1.00 . A A . 5 ARG C 1 1 3 1418 1 1 5 ARG CA C 3.484 -1.267 6.872 1.00 . A A . 5 ARG CA 1 1 3 1419 1 1 5 ARG CB C 3.731 -0.742 8.299 1.00 . A A . 5 ARG CB 1 1 3 1420 1 1 5 ARG CD C 3.810 -1.272 10.735 1.00 . A A . 5 ARG CD 1 1 3 1421 1 1 5 ARG CG C 3.586 -1.856 9.343 1.00 . A A . 5 ARG CG 1 1 3 1422 1 1 5 ARG CZ C 4.137 -3.191 12.178 1.00 . A A . 5 ARG CZ 1 1 3 1423 1 1 5 ARG H H 1.420 -1.344 6.316 1.00 . A A . 5 ARG H 1 1 3 1424 1 1 5 ARG HA H 3.558 -0.440 6.180 1.00 . A A . 5 ARG HA 1 1 3 1425 1 1 5 ARG HB2 H 4.730 -0.333 8.355 1.00 . A A . 5 ARG HB2 1 1 3 1426 1 1 5 ARG HB3 H 3.018 0.041 8.514 1.00 . A A . 5 ARG HB3 1 1 3 1427 1 1 5 ARG HD2 H 4.863 -1.076 10.876 1.00 . A A . 5 ARG HD2 1 1 3 1428 1 1 5 ARG HD3 H 3.255 -0.350 10.833 1.00 . A A . 5 ARG HD3 1 1 3 1429 1 1 5 ARG HE H 2.431 -2.184 12.112 1.00 . A A . 5 ARG HE 1 1 3 1430 1 1 5 ARG HG2 H 2.603 -2.282 9.293 1.00 . A A . 5 ARG HG2 1 1 3 1431 1 1 5 ARG HG3 H 4.319 -2.621 9.163 1.00 . A A . 5 ARG HG3 1 1 3 1432 1 1 5 ARG HH11 H 5.684 -2.613 11.044 1.00 . A A . 5 ARG HH11 1 1 3 1433 1 1 5 ARG HH12 H 5.963 -3.999 12.045 1.00 . A A . 5 ARG HH12 1 1 3 1434 1 1 5 ARG HH21 H 2.780 -3.982 13.415 1.00 . A A . 5 ARG HH21 1 1 3 1435 1 1 5 ARG HH22 H 4.320 -4.774 13.386 1.00 . A A . 5 ARG HH22 1 1 3 1436 1 1 5 ARG N N 2.130 -1.861 6.739 1.00 . A A . 5 ARG N 1 1 3 1437 1 1 5 ARG NE N 3.343 -2.248 11.756 1.00 . A A . 5 ARG NE 1 1 3 1438 1 1 5 ARG NH1 N 5.356 -3.273 11.719 1.00 . A A . 5 ARG NH1 1 1 3 1439 1 1 5 ARG NH2 N 3.714 -4.049 13.061 1.00 . A A . 5 ARG NH2 1 1 3 1440 1 1 5 ARG O O 4.990 -3.096 7.278 1.00 . A A . 5 ARG O 1 1 3 1441 1 1 6 ALA C C 6.274 -2.945 3.310 1.00 . A A . 6 ALA C 1 1 3 1442 1 1 6 ALA CA C 5.858 -3.313 4.735 1.00 . A A . 6 ALA CA 1 1 3 1443 1 1 6 ALA CB C 5.228 -4.710 4.748 1.00 . A A . 6 ALA CB 1 1 3 1444 1 1 6 ALA H H 4.443 -1.682 4.617 1.00 . A A . 6 ALA H 1 1 3 1445 1 1 6 ALA HA H 6.728 -3.305 5.373 1.00 . A A . 6 ALA HA 1 1 3 1446 1 1 6 ALA HB1 H 5.233 -5.095 5.758 1.00 . A A . 6 ALA HB1 1 1 3 1447 1 1 6 ALA HB2 H 5.795 -5.373 4.110 1.00 . A A . 6 ALA HB2 1 1 3 1448 1 1 6 ALA HB3 H 4.211 -4.649 4.394 1.00 . A A . 6 ALA HB3 1 1 3 1449 1 1 6 ALA N N 4.865 -2.320 5.232 1.00 . A A . 6 ALA N 1 1 3 1450 1 1 6 ALA O O 5.480 -2.512 2.498 1.00 . A A . 6 ALA O 1 1 3 1451 1 1 7 TRP C C 7.265 -3.265 0.550 1.00 . A A . 7 TRP C 1 1 3 1452 1 1 7 TRP CA C 8.104 -2.710 1.707 1.00 . A A . 7 TRP CA 1 1 3 1453 1 1 7 TRP CB C 9.540 -3.244 1.614 1.00 . A A . 7 TRP CB 1 1 3 1454 1 1 7 TRP CD1 C 9.664 -2.843 -0.887 1.00 . A A . 7 TRP CD1 1 1 3 1455 1 1 7 TRP CD2 C 10.452 -4.859 -0.284 1.00 . A A . 7 TRP CD2 1 1 3 1456 1 1 7 TRP CE2 C 10.581 -4.778 -1.689 1.00 . A A . 7 TRP CE2 1 1 3 1457 1 1 7 TRP CE3 C 10.880 -6.034 0.354 1.00 . A A . 7 TRP CE3 1 1 3 1458 1 1 7 TRP CG C 9.866 -3.622 0.202 1.00 . A A . 7 TRP CG 1 1 3 1459 1 1 7 TRP CH2 C 11.537 -6.990 -1.784 1.00 . A A . 7 TRP CH2 1 1 3 1460 1 1 7 TRP CZ2 C 11.116 -5.827 -2.434 1.00 . A A . 7 TRP CZ2 1 1 3 1461 1 1 7 TRP CZ3 C 11.419 -7.093 -0.391 1.00 . A A . 7 TRP CZ3 1 1 3 1462 1 1 7 TRP H H 8.148 -3.402 3.736 1.00 . A A . 7 TRP H 1 1 3 1463 1 1 7 TRP HA H 8.133 -1.636 1.632 1.00 . A A . 7 TRP HA 1 1 3 1464 1 1 7 TRP HB2 H 10.228 -2.480 1.947 1.00 . A A . 7 TRP HB2 1 1 3 1465 1 1 7 TRP HB3 H 9.640 -4.113 2.247 1.00 . A A . 7 TRP HB3 1 1 3 1466 1 1 7 TRP HD1 H 9.238 -1.850 -0.882 1.00 . A A . 7 TRP HD1 1 1 3 1467 1 1 7 TRP HE1 H 10.047 -3.192 -2.929 1.00 . A A . 7 TRP HE1 1 1 3 1468 1 1 7 TRP HE3 H 10.793 -6.123 1.428 1.00 . A A . 7 TRP HE3 1 1 3 1469 1 1 7 TRP HH2 H 11.952 -7.806 -2.354 1.00 . A A . 7 TRP HH2 1 1 3 1470 1 1 7 TRP HZ2 H 11.206 -5.744 -3.505 1.00 . A A . 7 TRP HZ2 1 1 3 1471 1 1 7 TRP HZ3 H 11.744 -7.992 0.110 1.00 . A A . 7 TRP HZ3 1 1 3 1472 1 1 7 TRP N N 7.544 -3.080 3.037 1.00 . A A . 7 TRP N 1 1 3 1473 1 1 7 TRP NE1 N 10.085 -3.531 -2.011 1.00 . A A . 7 TRP NE1 1 1 3 1474 1 1 7 TRP O O 6.941 -4.434 0.500 1.00 . A A . 7 TRP O 1 1 3 1475 1 1 8 CYS C C 7.028 -2.550 -2.853 1.00 . A A . 8 CYS C 1 1 3 1476 1 1 8 CYS CA C 6.178 -2.845 -1.606 1.00 . A A . 8 CYS CA 1 1 3 1477 1 1 8 CYS CB C 4.876 -2.038 -1.696 1.00 . A A . 8 CYS CB 1 1 3 1478 1 1 8 CYS H H 7.260 -1.483 -0.328 1.00 . A A . 8 CYS H 1 1 3 1479 1 1 8 CYS HA H 5.946 -3.910 -1.545 1.00 . A A . 8 CYS HA 1 1 3 1480 1 1 8 CYS HB2 H 4.043 -2.720 -1.695 1.00 . A A . 8 CYS HB2 1 1 3 1481 1 1 8 CYS HB3 H 4.801 -1.374 -0.847 1.00 . A A . 8 CYS HB3 1 1 3 1482 1 1 8 CYS N N 6.955 -2.416 -0.400 1.00 . A A . 8 CYS N 1 1 3 1483 1 1 8 CYS O O 7.830 -1.638 -2.856 1.00 . A A . 8 CYS O 1 1 3 1484 1 1 8 CYS SG S 4.839 -1.074 -3.233 1.00 . A A . 8 CYS SG 1 1 3 1485 1 1 9 LYS C C 6.770 -2.189 -6.128 1.00 . A A . 9 LYS C 1 1 3 1486 1 1 9 LYS CA C 7.634 -3.014 -5.161 1.00 . A A . 9 LYS CA 1 1 3 1487 1 1 9 LYS CB C 8.023 -4.343 -5.819 1.00 . A A . 9 LYS CB 1 1 3 1488 1 1 9 LYS CD C 10.507 -4.616 -6.288 1.00 . A A . 9 LYS CD 1 1 3 1489 1 1 9 LYS CE C 11.410 -3.432 -5.911 1.00 . A A . 9 LYS CE 1 1 3 1490 1 1 9 LYS CG C 9.155 -4.111 -6.844 1.00 . A A . 9 LYS CG 1 1 3 1491 1 1 9 LYS H H 6.184 -4.010 -3.906 1.00 . A A . 9 LYS H 1 1 3 1492 1 1 9 LYS HA H 8.528 -2.459 -4.915 1.00 . A A . 9 LYS HA 1 1 3 1493 1 1 9 LYS HB2 H 8.348 -5.034 -5.055 1.00 . A A . 9 LYS HB2 1 1 3 1494 1 1 9 LYS HB3 H 7.164 -4.755 -6.324 1.00 . A A . 9 LYS HB3 1 1 3 1495 1 1 9 LYS HD2 H 10.338 -5.225 -5.417 1.00 . A A . 9 LYS HD2 1 1 3 1496 1 1 9 LYS HD3 H 11.001 -5.210 -7.044 1.00 . A A . 9 LYS HD3 1 1 3 1497 1 1 9 LYS HE2 H 12.428 -3.779 -5.810 1.00 . A A . 9 LYS HE2 1 1 3 1498 1 1 9 LYS HE3 H 11.367 -2.680 -6.685 1.00 . A A . 9 LYS HE3 1 1 3 1499 1 1 9 LYS HG2 H 8.925 -4.649 -7.753 1.00 . A A . 9 LYS HG2 1 1 3 1500 1 1 9 LYS HG3 H 9.228 -3.057 -7.066 1.00 . A A . 9 LYS HG3 1 1 3 1501 1 1 9 LYS HZ1 H 11.715 -2.942 -3.909 1.00 . A A . 9 LYS HZ1 1 1 3 1502 1 1 9 LYS HZ2 H 10.109 -3.340 -4.286 1.00 . A A . 9 LYS HZ2 1 1 3 1503 1 1 9 LYS HZ3 H 10.742 -1.834 -4.753 1.00 . A A . 9 LYS HZ3 1 1 3 1504 1 1 9 LYS N N 6.848 -3.289 -3.916 1.00 . A A . 9 LYS N 1 1 3 1505 1 1 9 LYS NZ N 10.959 -2.844 -4.617 1.00 . A A . 9 LYS NZ 1 1 3 1506 1 1 9 LYS O O 7.270 -1.431 -6.939 1.00 . A A . 9 LYS O 1 1 3 1507 1 1 10 GLU C C 3.245 -1.253 -6.204 1.00 . A A . 10 GLU C 1 1 3 1508 1 1 10 GLU CA C 4.538 -1.598 -6.956 1.00 . A A . 10 GLU CA 1 1 3 1509 1 1 10 GLU CB C 4.162 -2.471 -8.164 1.00 . A A . 10 GLU CB 1 1 3 1510 1 1 10 GLU CD C 4.935 -4.226 -9.757 1.00 . A A . 10 GLU CD 1 1 3 1511 1 1 10 GLU CG C 5.382 -3.234 -8.684 1.00 . A A . 10 GLU CG 1 1 3 1512 1 1 10 GLU H H 5.109 -2.965 -5.392 1.00 . A A . 10 GLU H 1 1 3 1513 1 1 10 GLU HA H 5.005 -0.687 -7.291 1.00 . A A . 10 GLU HA 1 1 3 1514 1 1 10 GLU HB2 H 3.396 -3.177 -7.873 1.00 . A A . 10 GLU HB2 1 1 3 1515 1 1 10 GLU HB3 H 3.778 -1.838 -8.953 1.00 . A A . 10 GLU HB3 1 1 3 1516 1 1 10 GLU HG2 H 6.091 -2.537 -9.106 1.00 . A A . 10 GLU HG2 1 1 3 1517 1 1 10 GLU HG3 H 5.844 -3.772 -7.874 1.00 . A A . 10 GLU HG3 1 1 3 1518 1 1 10 GLU N N 5.471 -2.347 -6.048 1.00 . A A . 10 GLU N 1 1 3 1519 1 1 10 GLU O O 3.059 -1.606 -5.058 1.00 . A A . 10 GLU O 1 1 3 1520 1 1 10 GLU OE1 O 3.764 -4.213 -10.098 1.00 . A A . 10 GLU OE1 1 1 3 1521 1 1 10 GLU OE2 O 5.771 -4.988 -10.216 1.00 . A A . 10 GLU OE2 1 1 3 1522 1 1 11 LYS C C 0.311 -1.505 -5.835 1.00 . A A . 11 LYS C 1 1 3 1523 1 1 11 LYS CA C 1.045 -0.224 -6.224 1.00 . A A . 11 LYS CA 1 1 3 1524 1 1 11 LYS CB C 0.208 0.557 -7.239 1.00 . A A . 11 LYS CB 1 1 3 1525 1 1 11 LYS CD C -2.047 1.468 -7.748 1.00 . A A . 11 LYS CD 1 1 3 1526 1 1 11 LYS CE C -3.336 2.058 -7.162 1.00 . A A . 11 LYS CE 1 1 3 1527 1 1 11 LYS CG C -1.109 1.025 -6.622 1.00 . A A . 11 LYS CG 1 1 3 1528 1 1 11 LYS H H 2.508 -0.328 -7.798 1.00 . A A . 11 LYS H 1 1 3 1529 1 1 11 LYS HA H 1.217 0.379 -5.352 1.00 . A A . 11 LYS HA 1 1 3 1530 1 1 11 LYS HB2 H 0.769 1.421 -7.548 1.00 . A A . 11 LYS HB2 1 1 3 1531 1 1 11 LYS HB3 H 0.020 -0.067 -8.096 1.00 . A A . 11 LYS HB3 1 1 3 1532 1 1 11 LYS HD2 H -1.553 2.207 -8.362 1.00 . A A . 11 LYS HD2 1 1 3 1533 1 1 11 LYS HD3 H -2.297 0.609 -8.355 1.00 . A A . 11 LYS HD3 1 1 3 1534 1 1 11 LYS HE2 H -3.457 1.726 -6.142 1.00 . A A . 11 LYS HE2 1 1 3 1535 1 1 11 LYS HE3 H -3.280 3.137 -7.184 1.00 . A A . 11 LYS HE3 1 1 3 1536 1 1 11 LYS HG2 H -1.561 0.219 -6.062 1.00 . A A . 11 LYS HG2 1 1 3 1537 1 1 11 LYS HG3 H -0.921 1.862 -5.965 1.00 . A A . 11 LYS HG3 1 1 3 1538 1 1 11 LYS HZ1 H -5.083 2.427 -8.236 1.00 . A A . 11 LYS HZ1 1 1 3 1539 1 1 11 LYS HZ2 H -5.077 0.942 -7.418 1.00 . A A . 11 LYS HZ2 1 1 3 1540 1 1 11 LYS HZ3 H -4.162 1.132 -8.837 1.00 . A A . 11 LYS HZ3 1 1 3 1541 1 1 11 LYS N N 2.340 -0.583 -6.866 1.00 . A A . 11 LYS N 1 1 3 1542 1 1 11 LYS NZ N -4.503 1.606 -7.975 1.00 . A A . 11 LYS NZ 1 1 3 1543 1 1 11 LYS O O -0.179 -1.643 -4.730 1.00 . A A . 11 LYS O 1 1 3 1544 1 1 12 LYS C C 0.478 -4.676 -5.698 1.00 . A A . 12 LYS C 1 1 3 1545 1 1 12 LYS CA C -0.472 -3.723 -6.428 1.00 . A A . 12 LYS CA 1 1 3 1546 1 1 12 LYS CB C -0.951 -4.381 -7.725 1.00 . A A . 12 LYS CB 1 1 3 1547 1 1 12 LYS CD C -2.456 -6.152 -8.667 1.00 . A A . 12 LYS CD 1 1 3 1548 1 1 12 LYS CE C -3.400 -7.306 -8.318 1.00 . A A . 12 LYS CE 1 1 3 1549 1 1 12 LYS CG C -1.889 -5.542 -7.382 1.00 . A A . 12 LYS CG 1 1 3 1550 1 1 12 LYS H H 0.632 -2.309 -7.621 1.00 . A A . 12 LYS H 1 1 3 1551 1 1 12 LYS HA H -1.325 -3.517 -5.797 1.00 . A A . 12 LYS HA 1 1 3 1552 1 1 12 LYS HB2 H -1.474 -3.652 -8.327 1.00 . A A . 12 LYS HB2 1 1 3 1553 1 1 12 LYS HB3 H -0.099 -4.758 -8.272 1.00 . A A . 12 LYS HB3 1 1 3 1554 1 1 12 LYS HD2 H -3.001 -5.394 -9.211 1.00 . A A . 12 LYS HD2 1 1 3 1555 1 1 12 LYS HD3 H -1.647 -6.522 -9.278 1.00 . A A . 12 LYS HD3 1 1 3 1556 1 1 12 LYS HE2 H -2.857 -8.065 -7.773 1.00 . A A . 12 LYS HE2 1 1 3 1557 1 1 12 LYS HE3 H -4.212 -6.937 -7.708 1.00 . A A . 12 LYS HE3 1 1 3 1558 1 1 12 LYS HG2 H -1.346 -6.295 -6.832 1.00 . A A . 12 LYS HG2 1 1 3 1559 1 1 12 LYS HG3 H -2.704 -5.172 -6.776 1.00 . A A . 12 LYS HG3 1 1 3 1560 1 1 12 LYS HZ1 H -4.085 -7.141 -10.278 1.00 . A A . 12 LYS HZ1 1 1 3 1561 1 1 12 LYS HZ2 H -4.864 -8.349 -9.376 1.00 . A A . 12 LYS HZ2 1 1 3 1562 1 1 12 LYS HZ3 H -3.282 -8.601 -9.945 1.00 . A A . 12 LYS HZ3 1 1 3 1563 1 1 12 LYS N N 0.230 -2.445 -6.737 1.00 . A A . 12 LYS N 1 1 3 1564 1 1 12 LYS NZ N -3.950 -7.894 -9.574 1.00 . A A . 12 LYS NZ 1 1 3 1565 1 1 12 LYS O O 0.053 -5.593 -5.024 1.00 . A A . 12 LYS O 1 1 3 1566 1 1 13 ASP C C 2.334 -5.598 -3.711 1.00 . A A . 13 ASP C 1 1 3 1567 1 1 13 ASP CA C 2.732 -5.402 -5.171 1.00 . A A . 13 ASP CA 1 1 3 1568 1 1 13 ASP CB C 4.131 -4.802 -5.224 1.00 . A A . 13 ASP CB 1 1 3 1569 1 1 13 ASP CG C 5.173 -5.901 -5.027 1.00 . A A . 13 ASP CG 1 1 3 1570 1 1 13 ASP H H 2.087 -3.753 -6.404 1.00 . A A . 13 ASP H 1 1 3 1571 1 1 13 ASP HA H 2.730 -6.357 -5.676 1.00 . A A . 13 ASP HA 1 1 3 1572 1 1 13 ASP HB2 H 4.283 -4.332 -6.182 1.00 . A A . 13 ASP HB2 1 1 3 1573 1 1 13 ASP HB3 H 4.230 -4.072 -4.435 1.00 . A A . 13 ASP HB3 1 1 3 1574 1 1 13 ASP N N 1.761 -4.487 -5.844 1.00 . A A . 13 ASP N 1 1 3 1575 1 1 13 ASP O O 2.844 -6.471 -3.036 1.00 . A A . 13 ASP O 1 1 3 1576 1 1 13 ASP OD1 O 5.199 -6.815 -5.834 1.00 . A A . 13 ASP OD1 1 1 3 1577 1 1 13 ASP OD2 O 5.932 -5.807 -4.076 1.00 . A A . 13 ASP OD2 1 1 3 1578 1 1 14 CYS C C -0.036 -6.086 -1.781 1.00 . A A . 14 CYS C 1 1 3 1579 1 1 14 CYS CA C 1.009 -4.980 -1.815 1.00 . A A . 14 CYS CA 1 1 3 1580 1 1 14 CYS CB C 0.391 -3.682 -1.313 1.00 . A A . 14 CYS CB 1 1 3 1581 1 1 14 CYS H H 1.008 -4.111 -3.750 1.00 . A A . 14 CYS H 1 1 3 1582 1 1 14 CYS HA H 1.856 -5.248 -1.202 1.00 . A A . 14 CYS HA 1 1 3 1583 1 1 14 CYS HB2 H -0.303 -3.309 -2.052 1.00 . A A . 14 CYS HB2 1 1 3 1584 1 1 14 CYS HB3 H -0.130 -3.873 -0.411 1.00 . A A . 14 CYS HB3 1 1 3 1585 1 1 14 CYS N N 1.422 -4.809 -3.212 1.00 . A A . 14 CYS N 1 1 3 1586 1 1 14 CYS O O -0.943 -6.122 -2.591 1.00 . A A . 14 CYS O 1 1 3 1587 1 1 14 CYS SG S 1.673 -2.441 -1.023 1.00 . A A . 14 CYS SG 1 1 3 1588 1 1 15 CYS C C -2.287 -7.579 -1.030 1.00 . A A . 15 CYS C 1 1 3 1589 1 1 15 CYS CA C -0.878 -8.121 -0.811 1.00 . A A . 15 CYS CA 1 1 3 1590 1 1 15 CYS CB C -0.772 -8.807 0.554 1.00 . A A . 15 CYS CB 1 1 3 1591 1 1 15 CYS H H 0.843 -6.966 -0.239 1.00 . A A . 15 CYS H 1 1 3 1592 1 1 15 CYS HA H -0.647 -8.832 -1.591 1.00 . A A . 15 CYS HA 1 1 3 1593 1 1 15 CYS HB2 H -0.037 -8.293 1.155 1.00 . A A . 15 CYS HB2 1 1 3 1594 1 1 15 CYS HB3 H -1.725 -8.773 1.052 1.00 . A A . 15 CYS HB3 1 1 3 1595 1 1 15 CYS N N 0.094 -7.003 -0.871 1.00 . A A . 15 CYS N 1 1 3 1596 1 1 15 CYS O O -2.609 -6.473 -0.645 1.00 . A A . 15 CYS O 1 1 3 1597 1 1 15 CYS SG S -0.261 -10.531 0.329 1.00 . A A . 15 CYS SG 1 1 3 1598 1 1 16 CYS C C -5.122 -7.356 -0.631 1.00 . A A . 16 CYS C 1 1 3 1599 1 1 16 CYS CA C -4.506 -7.891 -1.932 1.00 . A A . 16 CYS CA 1 1 3 1600 1 1 16 CYS CB C -5.308 -9.086 -2.456 1.00 . A A . 16 CYS CB 1 1 3 1601 1 1 16 CYS H H -2.833 -9.233 -1.975 1.00 . A A . 16 CYS H 1 1 3 1602 1 1 16 CYS HA H -4.490 -7.108 -2.675 1.00 . A A . 16 CYS HA 1 1 3 1603 1 1 16 CYS HB2 H -4.747 -9.994 -2.286 1.00 . A A . 16 CYS HB2 1 1 3 1604 1 1 16 CYS HB3 H -6.244 -9.145 -1.936 1.00 . A A . 16 CYS HB3 1 1 3 1605 1 1 16 CYS N N -3.122 -8.349 -1.664 1.00 . A A . 16 CYS N 1 1 3 1606 1 1 16 CYS O O -5.148 -8.031 0.379 1.00 . A A . 16 CYS O 1 1 3 1607 1 1 16 CYS SG S -5.610 -8.895 -4.232 1.00 . A A . 16 CYS SG 1 1 3 1608 1 1 17 GLY C C -5.244 -4.525 1.180 1.00 . A A . 17 GLY C 1 1 3 1609 1 1 17 GLY CA C -6.214 -5.548 0.583 1.00 . A A . 17 GLY CA 1 1 3 1610 1 1 17 GLY H H -5.570 -5.611 -1.475 1.00 . A A . 17 GLY H 1 1 3 1611 1 1 17 GLY HA2 H -7.144 -5.058 0.332 1.00 . A A . 17 GLY HA2 1 1 3 1612 1 1 17 GLY HA3 H -6.401 -6.325 1.308 1.00 . A A . 17 GLY HA3 1 1 3 1613 1 1 17 GLY N N -5.610 -6.141 -0.650 1.00 . A A . 17 GLY N 1 1 3 1614 1 1 17 GLY O O -5.516 -3.915 2.195 1.00 . A A . 17 GLY O 1 1 3 1615 1 1 18 TYR C C -2.671 -2.429 -0.079 1.00 . A A . 18 TYR C 1 1 3 1616 1 1 18 TYR CA C -3.109 -3.358 1.064 1.00 . A A . 18 TYR CA 1 1 3 1617 1 1 18 TYR CB C -1.896 -4.118 1.605 1.00 . A A . 18 TYR CB 1 1 3 1618 1 1 18 TYR CD1 C -2.770 -6.244 2.640 1.00 . A A . 18 TYR CD1 1 1 3 1619 1 1 18 TYR CD2 C -2.175 -4.399 4.097 1.00 . A A . 18 TYR CD2 1 1 3 1620 1 1 18 TYR CE1 C -3.132 -7.009 3.756 1.00 . A A . 18 TYR CE1 1 1 3 1621 1 1 18 TYR CE2 C -2.537 -5.165 5.213 1.00 . A A . 18 TYR CE2 1 1 3 1622 1 1 18 TYR CG C -2.293 -4.938 2.810 1.00 . A A . 18 TYR CG 1 1 3 1623 1 1 18 TYR CZ C -3.015 -6.471 5.042 1.00 . A A . 18 TYR CZ 1 1 3 1624 1 1 18 TYR H H -3.911 -4.876 -0.304 1.00 . A A . 18 TYR H 1 1 3 1625 1 1 18 TYR HA H -3.546 -2.769 1.856 1.00 . A A . 18 TYR HA 1 1 3 1626 1 1 18 TYR HB2 H -1.518 -4.776 0.841 1.00 . A A . 18 TYR HB2 1 1 3 1627 1 1 18 TYR HB3 H -1.132 -3.414 1.888 1.00 . A A . 18 TYR HB3 1 1 3 1628 1 1 18 TYR HD1 H -2.859 -6.661 1.649 1.00 . A A . 18 TYR HD1 1 1 3 1629 1 1 18 TYR HD2 H -1.809 -3.392 4.230 1.00 . A A . 18 TYR HD2 1 1 3 1630 1 1 18 TYR HE1 H -3.500 -8.015 3.623 1.00 . A A . 18 TYR HE1 1 1 3 1631 1 1 18 TYR HE2 H -2.447 -4.749 6.205 1.00 . A A . 18 TYR HE2 1 1 3 1632 1 1 18 TYR HH H -3.183 -8.146 5.944 1.00 . A A . 18 TYR HH 1 1 3 1633 1 1 18 TYR N N -4.113 -4.340 0.552 1.00 . A A . 18 TYR N 1 1 3 1634 1 1 18 TYR O O -2.526 -2.848 -1.210 1.00 . A A . 18 TYR O 1 1 3 1635 1 1 18 TYR OH O -3.370 -7.224 6.142 1.00 . A A . 18 TYR OH 1 1 3 1636 1 1 19 ASN C C -0.546 0.094 -0.713 1.00 . A A . 19 ASN C 1 1 3 1637 1 1 19 ASN CA C -2.044 -0.200 -0.861 1.00 . A A . 19 ASN CA 1 1 3 1638 1 1 19 ASN CB C -2.847 1.096 -0.692 1.00 . A A . 19 ASN CB 1 1 3 1639 1 1 19 ASN CG C -3.365 1.174 0.741 1.00 . A A . 19 ASN CG 1 1 3 1640 1 1 19 ASN H H -2.595 -0.846 1.134 1.00 . A A . 19 ASN H 1 1 3 1641 1 1 19 ASN HA H -2.233 -0.623 -1.838 1.00 . A A . 19 ASN HA 1 1 3 1642 1 1 19 ASN HB2 H -2.215 1.947 -0.896 1.00 . A A . 19 ASN HB2 1 1 3 1643 1 1 19 ASN HB3 H -3.684 1.098 -1.369 1.00 . A A . 19 ASN HB3 1 1 3 1644 1 1 19 ASN HD21 H -1.995 2.487 1.312 1.00 . A A . 19 ASN HD21 1 1 3 1645 1 1 19 ASN HD22 H -3.085 2.004 2.516 1.00 . A A . 19 ASN HD22 1 1 3 1646 1 1 19 ASN N N -2.467 -1.167 0.209 1.00 . A A . 19 ASN N 1 1 3 1647 1 1 19 ASN ND2 N -2.767 1.955 1.593 1.00 . A A . 19 ASN ND2 1 1 3 1648 1 1 19 ASN O O 0.016 -0.096 0.343 1.00 . A A . 19 ASN O 1 1 3 1649 1 1 19 ASN OD1 O -4.320 0.507 1.091 1.00 . A A . 19 ASN OD1 1 1 3 1650 1 1 20 CYS C C 1.784 2.317 -1.225 1.00 . A A . 20 CYS C 1 1 3 1651 1 1 20 CYS CA C 1.575 0.851 -1.622 1.00 . A A . 20 CYS CA 1 1 3 1652 1 1 20 CYS CB C 2.290 0.570 -2.950 1.00 . A A . 20 CYS CB 1 1 3 1653 1 1 20 CYS H H -0.347 0.713 -2.612 1.00 . A A . 20 CYS H 1 1 3 1654 1 1 20 CYS HA H 1.995 0.217 -0.856 1.00 . A A . 20 CYS HA 1 1 3 1655 1 1 20 CYS HB2 H 2.052 -0.427 -3.286 1.00 . A A . 20 CYS HB2 1 1 3 1656 1 1 20 CYS HB3 H 1.977 1.287 -3.693 1.00 . A A . 20 CYS HB3 1 1 3 1657 1 1 20 CYS N N 0.114 0.559 -1.753 1.00 . A A . 20 CYS N 1 1 3 1658 1 1 20 CYS O O 1.517 3.225 -1.988 1.00 . A A . 20 CYS O 1 1 3 1659 1 1 20 CYS SG S 4.077 0.718 -2.698 1.00 . A A . 20 CYS SG 1 1 3 1660 1 1 21 VAL C C 3.932 4.352 0.035 1.00 . A A . 21 VAL C 1 1 3 1661 1 1 21 VAL CA C 2.517 3.943 0.436 1.00 . A A . 21 VAL CA 1 1 3 1662 1 1 21 VAL CB C 2.402 4.001 1.966 1.00 . A A . 21 VAL CB 1 1 3 1663 1 1 21 VAL CG1 C 2.795 5.399 2.480 1.00 . A A . 21 VAL CG1 1 1 3 1664 1 1 21 VAL CG2 C 0.962 3.687 2.383 1.00 . A A . 21 VAL CG2 1 1 3 1665 1 1 21 VAL H H 2.485 1.790 0.557 1.00 . A A . 21 VAL H 1 1 3 1666 1 1 21 VAL HA H 1.800 4.613 -0.012 1.00 . A A . 21 VAL HA 1 1 3 1667 1 1 21 VAL HB H 3.067 3.266 2.396 1.00 . A A . 21 VAL HB 1 1 3 1668 1 1 21 VAL HG11 H 3.389 5.912 1.739 1.00 . A A . 21 VAL HG11 1 1 3 1669 1 1 21 VAL HG12 H 3.372 5.297 3.388 1.00 . A A . 21 VAL HG12 1 1 3 1670 1 1 21 VAL HG13 H 1.905 5.974 2.684 1.00 . A A . 21 VAL HG13 1 1 3 1671 1 1 21 VAL HG21 H 0.620 2.803 1.864 1.00 . A A . 21 VAL HG21 1 1 3 1672 1 1 21 VAL HG22 H 0.323 4.521 2.132 1.00 . A A . 21 VAL HG22 1 1 3 1673 1 1 21 VAL HG23 H 0.926 3.515 3.448 1.00 . A A . 21 VAL HG23 1 1 3 1674 1 1 21 VAL N N 2.272 2.544 -0.032 1.00 . A A . 21 VAL N 1 1 3 1675 1 1 21 VAL O O 4.878 3.624 0.256 1.00 . A A . 21 VAL O 1 1 3 1676 1 1 22 TYR C C 6.186 6.517 0.258 1.00 . A A . 22 TYR C 1 1 3 1677 1 1 22 TYR CA C 5.453 5.948 -0.955 1.00 . A A . 22 TYR CA 1 1 3 1678 1 1 22 TYR CB C 5.336 7.001 -2.059 1.00 . A A . 22 TYR CB 1 1 3 1679 1 1 22 TYR CD1 C 7.775 6.605 -2.623 1.00 . A A . 22 TYR CD1 1 1 3 1680 1 1 22 TYR CD2 C 6.920 8.875 -2.625 1.00 . A A . 22 TYR CD2 1 1 3 1681 1 1 22 TYR CE1 C 9.042 7.083 -2.978 1.00 . A A . 22 TYR CE1 1 1 3 1682 1 1 22 TYR CE2 C 8.186 9.351 -2.981 1.00 . A A . 22 TYR CE2 1 1 3 1683 1 1 22 TYR CG C 6.710 7.503 -2.446 1.00 . A A . 22 TYR CG 1 1 3 1684 1 1 22 TYR CZ C 9.248 8.456 -3.156 1.00 . A A . 22 TYR CZ 1 1 3 1685 1 1 22 TYR H H 3.278 6.117 -0.720 1.00 . A A . 22 TYR H 1 1 3 1686 1 1 22 TYR HA H 5.995 5.097 -1.326 1.00 . A A . 22 TYR HA 1 1 3 1687 1 1 22 TYR HB2 H 4.860 6.560 -2.923 1.00 . A A . 22 TYR HB2 1 1 3 1688 1 1 22 TYR HB3 H 4.739 7.829 -1.704 1.00 . A A . 22 TYR HB3 1 1 3 1689 1 1 22 TYR HD1 H 7.620 5.546 -2.489 1.00 . A A . 22 TYR HD1 1 1 3 1690 1 1 22 TYR HD2 H 6.101 9.567 -2.489 1.00 . A A . 22 TYR HD2 1 1 3 1691 1 1 22 TYR HE1 H 9.862 6.391 -3.114 1.00 . A A . 22 TYR HE1 1 1 3 1692 1 1 22 TYR HE2 H 8.345 10.410 -3.119 1.00 . A A . 22 TYR HE2 1 1 3 1693 1 1 22 TYR HH H 10.833 8.384 -4.220 1.00 . A A . 22 TYR HH 1 1 3 1694 1 1 22 TYR N N 4.090 5.509 -0.545 1.00 . A A . 22 TYR N 1 1 3 1695 1 1 22 TYR O O 5.706 7.413 0.922 1.00 . A A . 22 TYR O 1 1 3 1696 1 1 22 TYR OH O 10.497 8.928 -3.505 1.00 . A A . 22 TYR OH 1 1 3 1697 1 1 23 ALA C C 9.416 7.149 1.298 1.00 . A A . 23 ALA C 1 1 3 1698 1 1 23 ALA CA C 8.114 6.474 1.743 1.00 . A A . 23 ALA CA 1 1 3 1699 1 1 23 ALA CB C 8.419 5.288 2.665 1.00 . A A . 23 ALA CB 1 1 3 1700 1 1 23 ALA H H 7.703 5.255 0.014 1.00 . A A . 23 ALA H 1 1 3 1701 1 1 23 ALA HA H 7.515 7.195 2.282 1.00 . A A . 23 ALA HA 1 1 3 1702 1 1 23 ALA HB1 H 8.003 5.479 3.643 1.00 . A A . 23 ALA HB1 1 1 3 1703 1 1 23 ALA HB2 H 9.487 5.153 2.749 1.00 . A A . 23 ALA HB2 1 1 3 1704 1 1 23 ALA HB3 H 7.974 4.393 2.258 1.00 . A A . 23 ALA HB3 1 1 3 1705 1 1 23 ALA N N 7.346 5.986 0.560 1.00 . A A . 23 ALA N 1 1 3 1706 1 1 23 ALA O O 10.279 6.545 0.693 1.00 . A A . 23 ALA O 1 1 3 1707 1 1 24 TRP C C 12.061 8.519 1.733 1.00 . A A . 24 TRP C 1 1 3 1708 1 1 24 TRP CA C 10.763 9.183 1.242 1.00 . A A . 24 TRP CA 1 1 3 1709 1 1 24 TRP CB C 10.658 10.591 1.834 1.00 . A A . 24 TRP CB 1 1 3 1710 1 1 24 TRP CD1 C 10.106 9.420 4.030 1.00 . A A . 24 TRP CD1 1 1 3 1711 1 1 24 TRP CD2 C 10.462 11.628 4.273 1.00 . A A . 24 TRP CD2 1 1 3 1712 1 1 24 TRP CE2 C 10.163 11.119 5.559 1.00 . A A . 24 TRP CE2 1 1 3 1713 1 1 24 TRP CE3 C 10.728 13.003 4.149 1.00 . A A . 24 TRP CE3 1 1 3 1714 1 1 24 TRP CG C 10.420 10.530 3.315 1.00 . A A . 24 TRP CG 1 1 3 1715 1 1 24 TRP CH2 C 10.398 13.310 6.540 1.00 . A A . 24 TRP CH2 1 1 3 1716 1 1 24 TRP CZ2 C 10.129 11.946 6.681 1.00 . A A . 24 TRP CZ2 1 1 3 1717 1 1 24 TRP CZ3 C 10.698 13.838 5.277 1.00 . A A . 24 TRP CZ3 1 1 3 1718 1 1 24 TRP H H 8.824 8.852 2.101 1.00 . A A . 24 TRP H 1 1 3 1719 1 1 24 TRP HA H 10.805 9.268 0.167 1.00 . A A . 24 TRP HA 1 1 3 1720 1 1 24 TRP HB2 H 11.579 11.123 1.646 1.00 . A A . 24 TRP HB2 1 1 3 1721 1 1 24 TRP HB3 H 9.841 11.115 1.361 1.00 . A A . 24 TRP HB3 1 1 3 1722 1 1 24 TRP HD1 H 9.994 8.423 3.633 1.00 . A A . 24 TRP HD1 1 1 3 1723 1 1 24 TRP HE1 H 9.722 9.153 6.083 1.00 . A A . 24 TRP HE1 1 1 3 1724 1 1 24 TRP HE3 H 10.960 13.419 3.180 1.00 . A A . 24 TRP HE3 1 1 3 1725 1 1 24 TRP HH2 H 10.376 13.957 7.405 1.00 . A A . 24 TRP HH2 1 1 3 1726 1 1 24 TRP HZ2 H 9.897 11.534 7.653 1.00 . A A . 24 TRP HZ2 1 1 3 1727 1 1 24 TRP HZ3 H 10.907 14.892 5.171 1.00 . A A . 24 TRP HZ3 1 1 3 1728 1 1 24 TRP N N 9.545 8.406 1.611 1.00 . A A . 24 TRP N 1 1 3 1729 1 1 24 TRP NE1 N 9.952 9.771 5.358 1.00 . A A . 24 TRP NE1 1 1 3 1730 1 1 24 TRP O O 13.137 8.924 1.342 1.00 . A A . 24 TRP O 1 1 3 1731 1 1 25 TYR C C 13.613 5.677 2.229 1.00 . A A . 25 TYR C 1 1 3 1732 1 1 25 TYR CA C 13.273 6.906 3.075 1.00 . A A . 25 TYR CA 1 1 3 1733 1 1 25 TYR CB C 13.148 6.505 4.554 1.00 . A A . 25 TYR CB 1 1 3 1734 1 1 25 TYR CD1 C 12.185 4.172 4.471 1.00 . A A . 25 TYR CD1 1 1 3 1735 1 1 25 TYR CD2 C 10.784 5.989 5.252 1.00 . A A . 25 TYR CD2 1 1 3 1736 1 1 25 TYR CE1 C 11.133 3.272 4.676 1.00 . A A . 25 TYR CE1 1 1 3 1737 1 1 25 TYR CE2 C 9.732 5.089 5.457 1.00 . A A . 25 TYR CE2 1 1 3 1738 1 1 25 TYR CG C 12.009 5.532 4.757 1.00 . A A . 25 TYR CG 1 1 3 1739 1 1 25 TYR CZ C 9.906 3.730 5.168 1.00 . A A . 25 TYR CZ 1 1 3 1740 1 1 25 TYR H H 11.085 7.185 2.924 1.00 . A A . 25 TYR H 1 1 3 1741 1 1 25 TYR HA H 14.073 7.625 2.978 1.00 . A A . 25 TYR HA 1 1 3 1742 1 1 25 TYR HB2 H 14.070 6.044 4.875 1.00 . A A . 25 TYR HB2 1 1 3 1743 1 1 25 TYR HB3 H 12.969 7.391 5.147 1.00 . A A . 25 TYR HB3 1 1 3 1744 1 1 25 TYR HD1 H 13.133 3.819 4.090 1.00 . A A . 25 TYR HD1 1 1 3 1745 1 1 25 TYR HD2 H 10.649 7.036 5.477 1.00 . A A . 25 TYR HD2 1 1 3 1746 1 1 25 TYR HE1 H 11.269 2.224 4.454 1.00 . A A . 25 TYR HE1 1 1 3 1747 1 1 25 TYR HE2 H 8.786 5.443 5.840 1.00 . A A . 25 TYR HE2 1 1 3 1748 1 1 25 TYR HH H 8.413 2.730 4.527 1.00 . A A . 25 TYR HH 1 1 3 1749 1 1 25 TYR N N 11.997 7.529 2.590 1.00 . A A . 25 TYR N 1 1 3 1750 1 1 25 TYR O O 12.792 4.811 2.004 1.00 . A A . 25 TYR O 1 1 3 1751 1 1 25 TYR OH O 8.866 2.845 5.366 1.00 . A A . 25 TYR OH 1 1 3 1752 1 1 26 ASN C C 14.275 4.308 -0.271 1.00 . A A . 26 ASN C 1 1 3 1753 1 1 26 ASN CA C 15.239 4.450 0.909 1.00 . A A . 26 ASN CA 1 1 3 1754 1 1 26 ASN CB C 15.202 3.163 1.745 1.00 . A A . 26 ASN CB 1 1 3 1755 1 1 26 ASN CG C 16.013 3.351 3.032 1.00 . A A . 26 ASN CG 1 1 3 1756 1 1 26 ASN H H 15.469 6.324 1.939 1.00 . A A . 26 ASN H 1 1 3 1757 1 1 26 ASN HA H 16.241 4.611 0.539 1.00 . A A . 26 ASN HA 1 1 3 1758 1 1 26 ASN HB2 H 14.176 2.926 1.996 1.00 . A A . 26 ASN HB2 1 1 3 1759 1 1 26 ASN HB3 H 15.625 2.352 1.172 1.00 . A A . 26 ASN HB3 1 1 3 1760 1 1 26 ASN HD21 H 14.566 2.684 4.213 1.00 . A A . 26 ASN HD21 1 1 3 1761 1 1 26 ASN HD22 H 15.991 3.152 5.007 1.00 . A A . 26 ASN HD22 1 1 3 1762 1 1 26 ASN N N 14.827 5.608 1.749 1.00 . A A . 26 ASN N 1 1 3 1763 1 1 26 ASN ND2 N 15.478 3.036 4.179 1.00 . A A . 26 ASN ND2 1 1 3 1764 1 1 26 ASN O O 13.983 3.214 -0.706 1.00 . A A . 26 ASN O 1 1 3 1765 1 1 26 ASN OD1 O 17.148 3.785 2.991 1.00 . A A . 26 ASN OD1 1 1 3 1766 1 1 27 GLN C C 12.038 4.008 -1.845 1.00 . A A . 27 GLN C 1 1 3 1767 1 1 27 GLN CA C 12.810 5.331 -1.938 1.00 . A A . 27 GLN CA 1 1 3 1768 1 1 27 GLN CB C 13.589 5.422 -3.264 1.00 . A A . 27 GLN CB 1 1 3 1769 1 1 27 GLN CD C 13.848 7.917 -3.415 1.00 . A A . 27 GLN CD 1 1 3 1770 1 1 27 GLN CG C 13.175 6.687 -4.034 1.00 . A A . 27 GLN CG 1 1 3 1771 1 1 27 GLN H H 14.017 6.279 -0.417 1.00 . A A . 27 GLN H 1 1 3 1772 1 1 27 GLN HA H 12.108 6.149 -1.868 1.00 . A A . 27 GLN HA 1 1 3 1773 1 1 27 GLN HB2 H 14.648 5.466 -3.053 1.00 . A A . 27 GLN HB2 1 1 3 1774 1 1 27 GLN HB3 H 13.383 4.553 -3.871 1.00 . A A . 27 GLN HB3 1 1 3 1775 1 1 27 GLN HE21 H 13.029 7.655 -1.625 1.00 . A A . 27 GLN HE21 1 1 3 1776 1 1 27 GLN HE22 H 14.050 9.000 -1.762 1.00 . A A . 27 GLN HE22 1 1 3 1777 1 1 27 GLN HG2 H 13.481 6.593 -5.065 1.00 . A A . 27 GLN HG2 1 1 3 1778 1 1 27 GLN HG3 H 12.103 6.804 -3.989 1.00 . A A . 27 GLN HG3 1 1 3 1779 1 1 27 GLN N N 13.770 5.406 -0.789 1.00 . A A . 27 GLN N 1 1 3 1780 1 1 27 GLN NE2 N 13.623 8.215 -2.163 1.00 . A A . 27 GLN NE2 1 1 3 1781 1 1 27 GLN O O 11.846 3.300 -2.813 1.00 . A A . 27 GLN O 1 1 3 1782 1 1 27 GLN OE1 O 14.588 8.616 -4.080 1.00 . A A . 27 GLN OE1 1 1 3 1783 1 1 28 GLN C C 9.428 2.724 -0.062 1.00 . A A . 28 GLN C 1 1 3 1784 1 1 28 GLN CA C 10.881 2.402 -0.421 1.00 . A A . 28 GLN CA 1 1 3 1785 1 1 28 GLN CB C 11.556 1.676 0.749 1.00 . A A . 28 GLN CB 1 1 3 1786 1 1 28 GLN CD C 9.835 0.605 2.217 1.00 . A A . 28 GLN CD 1 1 3 1787 1 1 28 GLN CG C 10.820 0.370 1.068 1.00 . A A . 28 GLN CG 1 1 3 1788 1 1 28 GLN H H 11.809 4.267 0.103 1.00 . A A . 28 GLN H 1 1 3 1789 1 1 28 GLN HA H 10.915 1.782 -1.305 1.00 . A A . 28 GLN HA 1 1 3 1790 1 1 28 GLN HB2 H 12.581 1.456 0.485 1.00 . A A . 28 GLN HB2 1 1 3 1791 1 1 28 GLN HB3 H 11.544 2.317 1.619 1.00 . A A . 28 GLN HB3 1 1 3 1792 1 1 28 GLN HE21 H 10.555 -0.872 3.323 1.00 . A A . 28 GLN HE21 1 1 3 1793 1 1 28 GLN HE22 H 9.267 -0.090 4.012 1.00 . A A . 28 GLN HE22 1 1 3 1794 1 1 28 GLN HG2 H 10.286 0.029 0.194 1.00 . A A . 28 GLN HG2 1 1 3 1795 1 1 28 GLN HG3 H 11.539 -0.381 1.366 1.00 . A A . 28 GLN HG3 1 1 3 1796 1 1 28 GLN N N 11.620 3.675 -0.655 1.00 . A A . 28 GLN N 1 1 3 1797 1 1 28 GLN NE2 N 9.889 -0.157 3.271 1.00 . A A . 28 GLN NE2 1 1 3 1798 1 1 28 GLN O O 9.107 3.845 0.281 1.00 . A A . 28 GLN O 1 1 3 1799 1 1 28 GLN OE1 O 9.014 1.498 2.160 1.00 . A A . 28 GLN OE1 1 1 3 1800 1 1 29 SER C C 6.615 1.054 1.258 1.00 . A A . 29 SER C 1 1 3 1801 1 1 29 SER CA C 7.111 2.031 0.195 1.00 . A A . 29 SER CA 1 1 3 1802 1 1 29 SER CB C 6.255 1.847 -1.054 1.00 . A A . 29 SER CB 1 1 3 1803 1 1 29 SER H H 8.820 0.861 -0.422 1.00 . A A . 29 SER H 1 1 3 1804 1 1 29 SER HA H 7.006 3.040 0.560 1.00 . A A . 29 SER HA 1 1 3 1805 1 1 29 SER HB2 H 6.574 0.965 -1.584 1.00 . A A . 29 SER HB2 1 1 3 1806 1 1 29 SER HB3 H 5.222 1.730 -0.758 1.00 . A A . 29 SER HB3 1 1 3 1807 1 1 29 SER HG H 5.571 3.463 -1.891 1.00 . A A . 29 SER HG 1 1 3 1808 1 1 29 SER N N 8.544 1.758 -0.139 1.00 . A A . 29 SER N 1 1 3 1809 1 1 29 SER O O 7.034 -0.082 1.314 1.00 . A A . 29 SER O 1 1 3 1810 1 1 29 SER OG O 6.398 2.977 -1.902 1.00 . A A . 29 SER OG 1 1 3 1811 1 1 30 SER C C 3.711 0.218 2.807 1.00 . A A . 30 SER C 1 1 3 1812 1 1 30 SER CA C 5.156 0.607 3.147 1.00 . A A . 30 SER CA 1 1 3 1813 1 1 30 SER CB C 5.182 1.338 4.494 1.00 . A A . 30 SER CB 1 1 3 1814 1 1 30 SER H H 5.373 2.400 2.013 1.00 . A A . 30 SER H 1 1 3 1815 1 1 30 SER HA H 5.761 -0.271 3.207 1.00 . A A . 30 SER HA 1 1 3 1816 1 1 30 SER HB2 H 5.370 0.632 5.285 1.00 . A A . 30 SER HB2 1 1 3 1817 1 1 30 SER HB3 H 5.970 2.080 4.485 1.00 . A A . 30 SER HB3 1 1 3 1818 1 1 30 SER HG H 3.595 1.676 5.572 1.00 . A A . 30 SER HG 1 1 3 1819 1 1 30 SER N N 5.703 1.492 2.091 1.00 . A A . 30 SER N 1 1 3 1820 1 1 30 SER O O 2.836 1.056 2.739 1.00 . A A . 30 SER O 1 1 3 1821 1 1 30 SER OG O 3.924 1.965 4.716 1.00 . A A . 30 SER OG 1 1 3 1822 1 1 31 CYS C C 1.157 -1.196 3.493 1.00 . A A . 31 CYS C 1 1 3 1823 1 1 31 CYS CA C 2.052 -1.464 2.281 1.00 . A A . 31 CYS CA 1 1 3 1824 1 1 31 CYS CB C 2.024 -2.959 1.956 1.00 . A A . 31 CYS CB 1 1 3 1825 1 1 31 CYS H H 4.163 -1.714 2.667 1.00 . A A . 31 CYS H 1 1 3 1826 1 1 31 CYS HA H 1.694 -0.902 1.439 1.00 . A A . 31 CYS HA 1 1 3 1827 1 1 31 CYS HB2 H 2.530 -3.503 2.735 1.00 . A A . 31 CYS HB2 1 1 3 1828 1 1 31 CYS HB3 H 1.004 -3.294 1.890 1.00 . A A . 31 CYS HB3 1 1 3 1829 1 1 31 CYS N N 3.449 -1.045 2.602 1.00 . A A . 31 CYS N 1 1 3 1830 1 1 31 CYS O O 1.487 -1.564 4.598 1.00 . A A . 31 CYS O 1 1 3 1831 1 1 31 CYS SG S 2.863 -3.271 0.388 1.00 . A A . 31 CYS SG 1 1 3 1832 1 1 32 GLU C C -2.327 -0.294 4.063 1.00 . A A . 32 GLU C 1 1 3 1833 1 1 32 GLU CA C -0.854 -0.268 4.479 1.00 . A A . 32 GLU CA 1 1 3 1834 1 1 32 GLU CB C -0.521 1.115 5.044 1.00 . A A . 32 GLU CB 1 1 3 1835 1 1 32 GLU CD C 1.246 2.503 6.129 1.00 . A A . 32 GLU CD 1 1 3 1836 1 1 32 GLU CG C 0.923 1.127 5.540 1.00 . A A . 32 GLU CG 1 1 3 1837 1 1 32 GLU H H -0.226 -0.251 2.408 1.00 . A A . 32 GLU H 1 1 3 1838 1 1 32 GLU HA H -0.688 -1.013 5.243 1.00 . A A . 32 GLU HA 1 1 3 1839 1 1 32 GLU HB2 H -0.644 1.861 4.271 1.00 . A A . 32 GLU HB2 1 1 3 1840 1 1 32 GLU HB3 H -1.183 1.338 5.868 1.00 . A A . 32 GLU HB3 1 1 3 1841 1 1 32 GLU HG2 H 1.052 0.367 6.292 1.00 . A A . 32 GLU HG2 1 1 3 1842 1 1 32 GLU HG3 H 1.584 0.930 4.715 1.00 . A A . 32 GLU HG3 1 1 3 1843 1 1 32 GLU N N 0.031 -0.551 3.305 1.00 . A A . 32 GLU N 1 1 3 1844 1 1 32 GLU O O -2.717 0.260 3.057 1.00 . A A . 32 GLU O 1 1 3 1845 1 1 32 GLU OE1 O 0.369 3.353 6.116 1.00 . A A . 32 GLU OE1 1 1 3 1846 1 1 32 GLU OE2 O 2.363 2.683 6.583 1.00 . A A . 32 GLU OE2 1 1 3 1847 1 1 33 ARG C C -5.275 0.359 4.866 1.00 . A A . 33 ARG C 1 1 3 1848 1 1 33 ARG CA C -4.609 -0.994 4.541 1.00 . A A . 33 ARG CA 1 1 3 1849 1 1 33 ARG CB C -5.245 -2.105 5.391 1.00 . A A . 33 ARG CB 1 1 3 1850 1 1 33 ARG CD C -7.224 -1.318 6.763 1.00 . A A . 33 ARG CD 1 1 3 1851 1 1 33 ARG CG C -6.779 -1.947 5.428 1.00 . A A . 33 ARG CG 1 1 3 1852 1 1 33 ARG CZ C -7.680 -2.548 8.827 1.00 . A A . 33 ARG CZ 1 1 3 1853 1 1 33 ARG H H -2.802 -1.370 5.656 1.00 . A A . 33 ARG H 1 1 3 1854 1 1 33 ARG HA H -4.749 -1.222 3.494 1.00 . A A . 33 ARG HA 1 1 3 1855 1 1 33 ARG HB2 H -4.993 -3.064 4.959 1.00 . A A . 33 ARG HB2 1 1 3 1856 1 1 33 ARG HB3 H -4.848 -2.055 6.394 1.00 . A A . 33 ARG HB3 1 1 3 1857 1 1 33 ARG HD2 H -6.360 -0.986 7.316 1.00 . A A . 33 ARG HD2 1 1 3 1858 1 1 33 ARG HD3 H -7.863 -0.468 6.563 1.00 . A A . 33 ARG HD3 1 1 3 1859 1 1 33 ARG HE H -8.710 -2.835 7.148 1.00 . A A . 33 ARG HE 1 1 3 1860 1 1 33 ARG HG2 H -7.102 -1.320 4.608 1.00 . A A . 33 ARG HG2 1 1 3 1861 1 1 33 ARG HG3 H -7.240 -2.920 5.329 1.00 . A A . 33 ARG HG3 1 1 3 1862 1 1 33 ARG HH11 H -6.192 -1.208 8.893 1.00 . A A . 33 ARG HH11 1 1 3 1863 1 1 33 ARG HH12 H -6.492 -2.066 10.365 1.00 . A A . 33 ARG HH12 1 1 3 1864 1 1 33 ARG HH21 H -9.097 -3.942 9.085 1.00 . A A . 33 ARG HH21 1 1 3 1865 1 1 33 ARG HH22 H -8.120 -3.599 10.474 1.00 . A A . 33 ARG HH22 1 1 3 1866 1 1 33 ARG N N -3.148 -0.936 4.847 1.00 . A A . 33 ARG N 1 1 3 1867 1 1 33 ARG NE N -7.981 -2.330 7.567 1.00 . A A . 33 ARG NE 1 1 3 1868 1 1 33 ARG NH1 N -6.712 -1.888 9.406 1.00 . A A . 33 ARG NH1 1 1 3 1869 1 1 33 ARG NH2 N -8.353 -3.431 9.515 1.00 . A A . 33 ARG NH2 1 1 3 1870 1 1 33 ARG O O -5.463 0.688 6.020 1.00 . A A . 33 ARG O 1 1 3 1871 1 1 34 LYS C C -6.641 3.217 2.900 1.00 . A A . 34 LYS C 1 1 3 1872 1 1 34 LYS CA C -6.320 2.436 4.183 1.00 . A A . 34 LYS CA 1 1 3 1873 1 1 34 LYS CB C -5.416 3.280 5.069 1.00 . A A . 34 LYS CB 1 1 3 1874 1 1 34 LYS CD C -3.136 4.300 5.217 1.00 . A A . 34 LYS CD 1 1 3 1875 1 1 34 LYS CE C -3.000 4.081 6.731 1.00 . A A . 34 LYS CE 1 1 3 1876 1 1 34 LYS CG C -3.967 3.172 4.589 1.00 . A A . 34 LYS CG 1 1 3 1877 1 1 34 LYS H H -5.520 0.872 2.960 1.00 . A A . 34 LYS H 1 1 3 1878 1 1 34 LYS HA H -7.237 2.235 4.704 1.00 . A A . 34 LYS HA 1 1 3 1879 1 1 34 LYS HB2 H -5.736 4.309 5.031 1.00 . A A . 34 LYS HB2 1 1 3 1880 1 1 34 LYS HB3 H -5.485 2.920 6.079 1.00 . A A . 34 LYS HB3 1 1 3 1881 1 1 34 LYS HD2 H -2.153 4.314 4.766 1.00 . A A . 34 LYS HD2 1 1 3 1882 1 1 34 LYS HD3 H -3.625 5.246 5.038 1.00 . A A . 34 LYS HD3 1 1 3 1883 1 1 34 LYS HE2 H -3.560 3.208 7.030 1.00 . A A . 34 LYS HE2 1 1 3 1884 1 1 34 LYS HE3 H -1.958 3.939 6.983 1.00 . A A . 34 LYS HE3 1 1 3 1885 1 1 34 LYS HG2 H -3.560 2.216 4.881 1.00 . A A . 34 LYS HG2 1 1 3 1886 1 1 34 LYS HG3 H -3.936 3.263 3.513 1.00 . A A . 34 LYS HG3 1 1 3 1887 1 1 34 LYS HZ1 H -2.782 6.007 7.491 1.00 . A A . 34 LYS HZ1 1 1 3 1888 1 1 34 LYS HZ2 H -3.800 5.011 8.413 1.00 . A A . 34 LYS HZ2 1 1 3 1889 1 1 34 LYS HZ3 H -4.348 5.652 6.937 1.00 . A A . 34 LYS HZ3 1 1 3 1890 1 1 34 LYS N N -5.655 1.138 3.879 1.00 . A A . 34 LYS N 1 1 3 1891 1 1 34 LYS NZ N -3.522 5.277 7.448 1.00 . A A . 34 LYS NZ 1 1 3 1892 1 1 34 LYS O O -6.475 4.420 2.848 1.00 . A A . 34 LYS O 1 1 3 1893 1 1 35 TRP C C -8.954 3.064 0.313 1.00 . A A . 35 TRP C 1 1 3 1894 1 1 35 TRP CA C -7.466 3.281 0.613 1.00 . A A . 35 TRP CA 1 1 3 1895 1 1 35 TRP CB C -6.611 2.752 -0.548 1.00 . A A . 35 TRP CB 1 1 3 1896 1 1 35 TRP CD1 C -4.490 3.758 0.392 1.00 . A A . 35 TRP CD1 1 1 3 1897 1 1 35 TRP CD2 C -4.761 4.229 -1.792 1.00 . A A . 35 TRP CD2 1 1 3 1898 1 1 35 TRP CE2 C -3.549 4.842 -1.387 1.00 . A A . 35 TRP CE2 1 1 3 1899 1 1 35 TRP CE3 C -5.160 4.376 -3.134 1.00 . A A . 35 TRP CE3 1 1 3 1900 1 1 35 TRP CG C -5.341 3.545 -0.637 1.00 . A A . 35 TRP CG 1 1 3 1901 1 1 35 TRP CH2 C -3.175 5.709 -3.606 1.00 . A A . 35 TRP CH2 1 1 3 1902 1 1 35 TRP CZ2 C -2.765 5.573 -2.279 1.00 . A A . 35 TRP CZ2 1 1 3 1903 1 1 35 TRP CZ3 C -4.370 5.113 -4.035 1.00 . A A . 35 TRP CZ3 1 1 3 1904 1 1 35 TRP H H -7.260 1.590 1.943 1.00 . A A . 35 TRP H 1 1 3 1905 1 1 35 TRP HA H -7.285 4.340 0.739 1.00 . A A . 35 TRP HA 1 1 3 1906 1 1 35 TRP HB2 H -6.374 1.714 -0.373 1.00 . A A . 35 TRP HB2 1 1 3 1907 1 1 35 TRP HB3 H -7.156 2.844 -1.475 1.00 . A A . 35 TRP HB3 1 1 3 1908 1 1 35 TRP HD1 H -4.621 3.392 1.395 1.00 . A A . 35 TRP HD1 1 1 3 1909 1 1 35 TRP HE1 H -2.678 4.822 0.503 1.00 . A A . 35 TRP HE1 1 1 3 1910 1 1 35 TRP HE3 H -6.080 3.922 -3.475 1.00 . A A . 35 TRP HE3 1 1 3 1911 1 1 35 TRP HH2 H -2.572 6.273 -4.303 1.00 . A A . 35 TRP HH2 1 1 3 1912 1 1 35 TRP HZ2 H -1.845 6.028 -1.944 1.00 . A A . 35 TRP HZ2 1 1 3 1913 1 1 35 TRP HZ3 H -4.685 5.222 -5.062 1.00 . A A . 35 TRP HZ3 1 1 3 1914 1 1 35 TRP N N -7.117 2.558 1.877 1.00 . A A . 35 TRP N 1 1 3 1915 1 1 35 TRP NE1 N -3.431 4.526 -0.050 1.00 . A A . 35 TRP NE1 1 1 3 1916 1 1 35 TRP O O -9.710 2.643 1.164 1.00 . A A . 35 TRP O 1 1 3 1917 1 1 36 LYS C C -11.194 1.703 -1.122 1.00 . A A . 36 LYS C 1 1 3 1918 1 1 36 LYS CA C -10.820 3.185 -1.231 1.00 . A A . 36 LYS CA 1 1 3 1919 1 1 36 LYS CB C -11.063 3.655 -2.666 1.00 . A A . 36 LYS CB 1 1 3 1920 1 1 36 LYS CD C -12.816 4.155 -4.384 1.00 . A A . 36 LYS CD 1 1 3 1921 1 1 36 LYS CE C -14.323 4.196 -4.664 1.00 . A A . 36 LYS CE 1 1 3 1922 1 1 36 LYS CG C -12.568 3.681 -2.949 1.00 . A A . 36 LYS CG 1 1 3 1923 1 1 36 LYS H H -8.754 3.711 -1.552 1.00 . A A . 36 LYS H 1 1 3 1924 1 1 36 LYS HA H -11.430 3.763 -0.552 1.00 . A A . 36 LYS HA 1 1 3 1925 1 1 36 LYS HB2 H -10.655 4.648 -2.793 1.00 . A A . 36 LYS HB2 1 1 3 1926 1 1 36 LYS HB3 H -10.582 2.978 -3.353 1.00 . A A . 36 LYS HB3 1 1 3 1927 1 1 36 LYS HD2 H -12.400 5.144 -4.512 1.00 . A A . 36 LYS HD2 1 1 3 1928 1 1 36 LYS HD3 H -12.343 3.472 -5.075 1.00 . A A . 36 LYS HD3 1 1 3 1929 1 1 36 LYS HE2 H -14.497 4.058 -5.723 1.00 . A A . 36 LYS HE2 1 1 3 1930 1 1 36 LYS HE3 H -14.816 3.408 -4.114 1.00 . A A . 36 LYS HE3 1 1 3 1931 1 1 36 LYS HG2 H -12.975 2.688 -2.822 1.00 . A A . 36 LYS HG2 1 1 3 1932 1 1 36 LYS HG3 H -13.053 4.357 -2.260 1.00 . A A . 36 LYS HG3 1 1 3 1933 1 1 36 LYS HZ1 H -14.731 5.636 -3.216 1.00 . A A . 36 LYS HZ1 1 1 3 1934 1 1 36 LYS HZ2 H -15.884 5.561 -4.457 1.00 . A A . 36 LYS HZ2 1 1 3 1935 1 1 36 LYS HZ3 H -14.370 6.277 -4.746 1.00 . A A . 36 LYS HZ3 1 1 3 1936 1 1 36 LYS N N -9.379 3.363 -0.884 1.00 . A A . 36 LYS N 1 1 3 1937 1 1 36 LYS NZ N -14.868 5.516 -4.238 1.00 . A A . 36 LYS NZ 1 1 3 1938 1 1 36 LYS O O -11.484 1.056 -2.108 1.00 . A A . 36 LYS O 1 1 3 1939 1 1 37 TYR C C -12.841 -0.371 1.072 1.00 . A A . 37 TYR C 1 1 3 1940 1 1 37 TYR CA C -11.559 -0.273 0.244 1.00 . A A . 37 TYR CA 1 1 3 1941 1 1 37 TYR CB C -10.409 -1.006 0.952 1.00 . A A . 37 TYR CB 1 1 3 1942 1 1 37 TYR CD1 C -8.667 -0.938 -0.873 1.00 . A A . 37 TYR CD1 1 1 3 1943 1 1 37 TYR CD2 C -9.606 -3.079 -0.232 1.00 . A A . 37 TYR CD2 1 1 3 1944 1 1 37 TYR CE1 C -7.861 -1.577 -1.823 1.00 . A A . 37 TYR CE1 1 1 3 1945 1 1 37 TYR CE2 C -8.803 -3.717 -1.182 1.00 . A A . 37 TYR CE2 1 1 3 1946 1 1 37 TYR CG C -9.538 -1.690 -0.077 1.00 . A A . 37 TYR CG 1 1 3 1947 1 1 37 TYR CZ C -7.929 -2.966 -1.978 1.00 . A A . 37 TYR CZ 1 1 3 1948 1 1 37 TYR H H -10.946 1.734 0.887 1.00 . A A . 37 TYR H 1 1 3 1949 1 1 37 TYR HA H -11.729 -0.723 -0.723 1.00 . A A . 37 TYR HA 1 1 3 1950 1 1 37 TYR HB2 H -9.816 -0.294 1.506 1.00 . A A . 37 TYR HB2 1 1 3 1951 1 1 37 TYR HB3 H -10.808 -1.747 1.629 1.00 . A A . 37 TYR HB3 1 1 3 1952 1 1 37 TYR HD1 H -8.615 0.134 -0.753 1.00 . A A . 37 TYR HD1 1 1 3 1953 1 1 37 TYR HD2 H -10.281 -3.658 0.381 1.00 . A A . 37 TYR HD2 1 1 3 1954 1 1 37 TYR HE1 H -7.189 -0.997 -2.439 1.00 . A A . 37 TYR HE1 1 1 3 1955 1 1 37 TYR HE2 H -8.856 -4.790 -1.300 1.00 . A A . 37 TYR HE2 1 1 3 1956 1 1 37 TYR HH H -7.117 -3.049 -3.704 1.00 . A A . 37 TYR HH 1 1 3 1957 1 1 37 TYR N N -11.196 1.164 0.067 1.00 . A A . 37 TYR N 1 1 3 1958 1 1 37 TYR O O -12.957 -1.175 1.975 1.00 . A A . 37 TYR O 1 1 3 1959 1 1 37 TYR OH O -7.136 -3.596 -2.915 1.00 . A A . 37 TYR OH 1 1 3 1960 1 1 38 LEU C C -15.720 -0.974 1.321 1.00 . A A . 38 LEU C 1 1 3 1961 1 1 38 LEU CA C -15.082 0.400 1.526 1.00 . A A . 38 LEU CA 1 1 3 1962 1 1 38 LEU CB C -16.029 1.492 1.013 1.00 . A A . 38 LEU CB 1 1 3 1963 1 1 38 LEU CD1 C -17.065 1.923 3.263 1.00 . A A . 38 LEU CD1 1 1 3 1964 1 1 38 LEU CD2 C -18.338 2.435 1.169 1.00 . A A . 38 LEU CD2 1 1 3 1965 1 1 38 LEU CG C -17.336 1.479 1.819 1.00 . A A . 38 LEU CG 1 1 3 1966 1 1 38 LEU H H -13.707 1.083 0.039 1.00 . A A . 38 LEU H 1 1 3 1967 1 1 38 LEU HA H -14.871 0.556 2.565 1.00 . A A . 38 LEU HA 1 1 3 1968 1 1 38 LEU HB2 H -15.554 2.457 1.119 1.00 . A A . 38 LEU HB2 1 1 3 1969 1 1 38 LEU HB3 H -16.251 1.317 -0.028 1.00 . A A . 38 LEU HB3 1 1 3 1970 1 1 38 LEU HD11 H -16.347 2.731 3.266 1.00 . A A . 38 LEU HD11 1 1 3 1971 1 1 38 LEU HD12 H -16.674 1.093 3.832 1.00 . A A . 38 LEU HD12 1 1 3 1972 1 1 38 LEU HD13 H -17.986 2.264 3.714 1.00 . A A . 38 LEU HD13 1 1 3 1973 1 1 38 LEU HD21 H -18.512 2.133 0.147 1.00 . A A . 38 LEU HD21 1 1 3 1974 1 1 38 LEU HD22 H -17.941 3.438 1.185 1.00 . A A . 38 LEU HD22 1 1 3 1975 1 1 38 LEU HD23 H -19.269 2.407 1.717 1.00 . A A . 38 LEU HD23 1 1 3 1976 1 1 38 LEU HG H -17.744 0.479 1.824 1.00 . A A . 38 LEU HG 1 1 3 1977 1 1 38 LEU N N -13.814 0.444 0.766 1.00 . A A . 38 LEU N 1 1 3 1978 1 1 38 LEU O O -16.220 -1.586 2.245 1.00 . A A . 38 LEU O 1 1 3 1979 1 1 39 PHE C C -16.138 -3.068 -1.702 1.00 . A A . 39 PHE C 1 1 3 1980 1 1 39 PHE CA C -16.287 -2.802 -0.195 1.00 . A A . 39 PHE CA 1 1 3 1981 1 1 39 PHE CB C -17.779 -2.808 0.196 1.00 . A A . 39 PHE CB 1 1 3 1982 1 1 39 PHE CD1 C -17.634 -4.486 2.073 1.00 . A A . 39 PHE CD1 1 1 3 1983 1 1 39 PHE CD2 C -19.009 -5.016 0.146 1.00 . A A . 39 PHE CD2 1 1 3 1984 1 1 39 PHE CE1 C -17.978 -5.710 2.656 1.00 . A A . 39 PHE CE1 1 1 3 1985 1 1 39 PHE CE2 C -19.352 -6.242 0.731 1.00 . A A . 39 PHE CE2 1 1 3 1986 1 1 39 PHE CG C -18.149 -4.137 0.817 1.00 . A A . 39 PHE CG 1 1 3 1987 1 1 39 PHE CZ C -18.837 -6.589 1.987 1.00 . A A . 39 PHE CZ 1 1 3 1988 1 1 39 PHE H H -15.277 -0.949 -0.613 1.00 . A A . 39 PHE H 1 1 3 1989 1 1 39 PHE HA H -15.757 -3.564 0.361 1.00 . A A . 39 PHE HA 1 1 3 1990 1 1 39 PHE HB2 H -17.970 -2.018 0.906 1.00 . A A . 39 PHE HB2 1 1 3 1991 1 1 39 PHE HB3 H -18.385 -2.643 -0.683 1.00 . A A . 39 PHE HB3 1 1 3 1992 1 1 39 PHE HD1 H -16.971 -3.809 2.589 1.00 . A A . 39 PHE HD1 1 1 3 1993 1 1 39 PHE HD2 H -19.407 -4.749 -0.821 1.00 . A A . 39 PHE HD2 1 1 3 1994 1 1 39 PHE HE1 H -17.581 -5.977 3.625 1.00 . A A . 39 PHE HE1 1 1 3 1995 1 1 39 PHE HE2 H -20.016 -6.921 0.214 1.00 . A A . 39 PHE HE2 1 1 3 1996 1 1 39 PHE HZ H -19.102 -7.534 2.438 1.00 . A A . 39 PHE HZ 1 1 3 1997 1 1 39 PHE N N -15.692 -1.465 0.106 1.00 . A A . 39 PHE N 1 1 3 1998 1 1 39 PHE O O -17.106 -3.194 -2.424 1.00 . A A . 39 PHE O 1 1 3 1999 1 1 40 THR C C -14.832 -4.869 -3.952 1.00 . A A . 40 THR C 1 1 3 2000 1 1 40 THR CA C -14.694 -3.381 -3.635 1.00 . A A . 40 THR CA 1 1 3 2001 1 1 40 THR CB C -13.289 -2.910 -4.019 1.00 . A A . 40 THR CB 1 1 3 2002 1 1 40 THR CG2 C -12.978 -1.583 -3.324 1.00 . A A . 40 THR CG2 1 1 3 2003 1 1 40 THR H H -14.157 -3.025 -1.578 1.00 . A A . 40 THR H 1 1 3 2004 1 1 40 THR HA H -15.423 -2.828 -4.205 1.00 . A A . 40 THR HA 1 1 3 2005 1 1 40 THR HB H -13.236 -2.771 -5.088 1.00 . A A . 40 THR HB 1 1 3 2006 1 1 40 THR HG1 H -11.703 -3.469 -3.040 1.00 . A A . 40 THR HG1 1 1 3 2007 1 1 40 THR HG21 H -11.961 -1.291 -3.543 1.00 . A A . 40 THR HG21 1 1 3 2008 1 1 40 THR HG22 H -13.097 -1.698 -2.259 1.00 . A A . 40 THR HG22 1 1 3 2009 1 1 40 THR HG23 H -13.656 -0.822 -3.683 1.00 . A A . 40 THR HG23 1 1 3 2010 1 1 40 THR N N -14.923 -3.139 -2.178 1.00 . A A . 40 THR N 1 1 3 2011 1 1 40 THR O O -14.758 -5.277 -5.095 1.00 . A A . 40 THR O 1 1 3 2012 1 1 40 THR OG1 O -12.339 -3.890 -3.624 1.00 . A A . 40 THR OG1 1 1 3 2013 1 1 41 GLY C C -13.815 -7.663 -3.770 1.00 . A A . 41 GLY C 1 1 3 2014 1 1 41 GLY CA C -15.144 -7.149 -3.219 1.00 . A A . 41 GLY CA 1 1 3 2015 1 1 41 GLY H H -15.065 -5.344 -2.042 1.00 . A A . 41 GLY H 1 1 3 2016 1 1 41 GLY HA2 H -15.384 -7.664 -2.300 1.00 . A A . 41 GLY HA2 1 1 3 2017 1 1 41 GLY HA3 H -15.922 -7.320 -3.948 1.00 . A A . 41 GLY HA3 1 1 3 2018 1 1 41 GLY N N -15.017 -5.688 -2.957 1.00 . A A . 41 GLY N 1 1 3 2019 1 1 41 GLY O O -13.548 -7.561 -4.946 1.00 . A A . 41 GLY O 1 1 3 2020 1 1 42 GLU C C -10.906 -7.586 -4.118 1.00 . A A . 42 GLU C 1 1 3 2021 1 1 42 GLU CA C -11.647 -8.700 -3.372 1.00 . A A . 42 GLU CA 1 1 3 2022 1 1 42 GLU CB C -11.825 -9.953 -4.264 1.00 . A A . 42 GLU CB 1 1 3 2023 1 1 42 GLU CD C -11.896 -10.880 -6.582 1.00 . A A . 42 GLU CD 1 1 3 2024 1 1 42 GLU CG C -11.802 -9.598 -5.759 1.00 . A A . 42 GLU CG 1 1 3 2025 1 1 42 GLU H H -13.216 -8.247 -1.970 1.00 . A A . 42 GLU H 1 1 3 2026 1 1 42 GLU HA H -11.069 -8.972 -2.500 1.00 . A A . 42 GLU HA 1 1 3 2027 1 1 42 GLU HB2 H -11.024 -10.648 -4.059 1.00 . A A . 42 GLU HB2 1 1 3 2028 1 1 42 GLU HB3 H -12.768 -10.423 -4.026 1.00 . A A . 42 GLU HB3 1 1 3 2029 1 1 42 GLU HG2 H -12.637 -8.962 -5.999 1.00 . A A . 42 GLU HG2 1 1 3 2030 1 1 42 GLU HG3 H -10.880 -9.095 -6.004 1.00 . A A . 42 GLU HG3 1 1 3 2031 1 1 42 GLU N N -12.976 -8.193 -2.919 1.00 . A A . 42 GLU N 1 1 3 2032 1 1 42 GLU O O -11.341 -7.120 -5.151 1.00 . A A . 42 GLU O 1 1 3 2033 1 1 42 GLU OE1 O -11.128 -11.788 -6.314 1.00 . A A . 42 GLU OE1 1 1 3 2034 1 1 42 GLU OE2 O -12.732 -10.932 -7.468 1.00 . A A . 42 GLU OE2 1 1 3 2035 1 1 43 CYS C C -9.652 -5.598 -5.537 1.00 . A A . 43 CYS C 1 1 3 2036 1 1 43 CYS CA C -8.979 -6.068 -4.240 1.00 . A A . 43 CYS CA 1 1 3 2037 1 1 43 CYS CB C -7.572 -6.605 -4.550 1.00 . A A . 43 CYS CB 1 1 3 2038 1 1 43 CYS H H -9.466 -7.552 -2.751 1.00 . A A . 43 CYS H 1 1 3 2039 1 1 43 CYS HXT H -8.747 -6.919 -6.445 1.00 . A A . 43 CYS HXT 1 1 3 2040 1 1 43 CYS HA H -8.898 -5.231 -3.562 1.00 . A A . 43 CYS HA 1 1 3 2041 1 1 43 CYS HB2 H -7.299 -6.356 -5.565 1.00 . A A . 43 CYS HB2 1 1 3 2042 1 1 43 CYS HB3 H -6.858 -6.166 -3.869 1.00 . A A . 43 CYS HB3 1 1 3 2043 1 1 43 CYS N N -9.784 -7.155 -3.588 1.00 . A A . 43 CYS N 1 1 3 2044 1 1 43 CYS O O -10.217 -4.517 -5.529 1.00 . A A . 43 CYS O 1 1 3 2045 1 1 43 CYS OXT O -9.590 -6.328 -6.511 1.00 . A A . 43 CYS OXT 1 1 3 2046 1 1 43 CYS SG S -7.564 -8.404 -4.349 1.00 . A A . 43 CYS SG 1 1 4 2047 1 1 1 CYS C C 3.662 -8.333 -0.130 1.00 . A A . 1 CYS C 1 1 4 2048 1 1 1 CYS CA C 3.507 -8.921 -1.532 1.00 . A A . 1 CYS CA 1 1 4 2049 1 1 1 CYS CB C 2.013 -9.117 -1.822 1.00 . A A . 1 CYS CB 1 1 4 2050 1 1 1 CYS H1 H 5.213 -10.094 -1.407 1.00 . A A . 1 CYS H1 1 1 4 2051 1 1 1 CYS H2 H 3.811 -10.876 -0.905 1.00 . A A . 1 CYS H2 1 1 4 2052 1 1 1 CYS H3 H 4.097 -10.633 -2.544 1.00 . A A . 1 CYS H3 1 1 4 2053 1 1 1 CYS HA H 3.932 -8.248 -2.258 1.00 . A A . 1 CYS HA 1 1 4 2054 1 1 1 CYS HB2 H 1.513 -8.167 -1.743 1.00 . A A . 1 CYS HB2 1 1 4 2055 1 1 1 CYS HB3 H 1.878 -9.508 -2.817 1.00 . A A . 1 CYS HB3 1 1 4 2056 1 1 1 CYS N N 4.211 -10.232 -1.602 1.00 . A A . 1 CYS N 1 1 4 2057 1 1 1 CYS O O 3.630 -9.049 0.852 1.00 . A A . 1 CYS O 1 1 4 2058 1 1 1 CYS SG S 1.297 -10.272 -0.619 1.00 . A A . 1 CYS SG 1 1 4 2059 1 1 2 GLY C C 2.613 -6.560 2.074 1.00 . A A . 2 GLY C 1 1 4 2060 1 1 2 GLY CA C 3.956 -6.447 1.345 1.00 . A A . 2 GLY CA 1 1 4 2061 1 1 2 GLY H H 3.846 -6.458 -0.810 1.00 . A A . 2 GLY H 1 1 4 2062 1 1 2 GLY HA2 H 4.716 -6.982 1.898 1.00 . A A . 2 GLY HA2 1 1 4 2063 1 1 2 GLY HA3 H 4.233 -5.406 1.263 1.00 . A A . 2 GLY HA3 1 1 4 2064 1 1 2 GLY N N 3.822 -7.039 -0.013 1.00 . A A . 2 GLY N 1 1 4 2065 1 1 2 GLY O O 1.564 -6.391 1.485 1.00 . A A . 2 GLY O 1 1 4 2066 1 1 3 SER C C 1.220 -5.776 5.056 1.00 . A A . 3 SER C 1 1 4 2067 1 1 3 SER CA C 1.366 -6.979 4.121 1.00 . A A . 3 SER CA 1 1 4 2068 1 1 3 SER CB C 1.402 -8.268 4.946 1.00 . A A . 3 SER CB 1 1 4 2069 1 1 3 SER H H 3.498 -6.984 3.801 1.00 . A A . 3 SER H 1 1 4 2070 1 1 3 SER HA H 0.527 -7.010 3.441 1.00 . A A . 3 SER HA 1 1 4 2071 1 1 3 SER HB2 H 2.265 -8.264 5.588 1.00 . A A . 3 SER HB2 1 1 4 2072 1 1 3 SER HB3 H 0.507 -8.334 5.549 1.00 . A A . 3 SER HB3 1 1 4 2073 1 1 3 SER HG H 2.400 -9.541 3.860 1.00 . A A . 3 SER HG 1 1 4 2074 1 1 3 SER N N 2.639 -6.850 3.349 1.00 . A A . 3 SER N 1 1 4 2075 1 1 3 SER O O 1.739 -4.709 4.791 1.00 . A A . 3 SER O 1 1 4 2076 1 1 3 SER OG O 1.476 -9.386 4.069 1.00 . A A . 3 SER OG 1 1 4 2077 1 1 4 LYS C C 1.742 -4.261 7.455 1.00 . A A . 4 LYS C 1 1 4 2078 1 1 4 LYS CA C 0.359 -4.794 7.089 1.00 . A A . 4 LYS CA 1 1 4 2079 1 1 4 LYS CB C -0.373 -5.285 8.349 1.00 . A A . 4 LYS CB 1 1 4 2080 1 1 4 LYS CD C -0.085 -3.755 10.319 1.00 . A A . 4 LYS CD 1 1 4 2081 1 1 4 LYS CE C -0.656 -2.540 11.056 1.00 . A A . 4 LYS CE 1 1 4 2082 1 1 4 LYS CG C -0.980 -4.102 9.125 1.00 . A A . 4 LYS CG 1 1 4 2083 1 1 4 LYS H H 0.113 -6.799 6.350 1.00 . A A . 4 LYS H 1 1 4 2084 1 1 4 LYS HA H -0.208 -4.011 6.610 1.00 . A A . 4 LYS HA 1 1 4 2085 1 1 4 LYS HB2 H -1.165 -5.961 8.054 1.00 . A A . 4 LYS HB2 1 1 4 2086 1 1 4 LYS HB3 H 0.324 -5.813 8.984 1.00 . A A . 4 LYS HB3 1 1 4 2087 1 1 4 LYS HD2 H -0.042 -4.597 10.993 1.00 . A A . 4 LYS HD2 1 1 4 2088 1 1 4 LYS HD3 H 0.905 -3.526 9.968 1.00 . A A . 4 LYS HD3 1 1 4 2089 1 1 4 LYS HE2 H 0.080 -2.161 11.751 1.00 . A A . 4 LYS HE2 1 1 4 2090 1 1 4 LYS HE3 H -0.903 -1.769 10.340 1.00 . A A . 4 LYS HE3 1 1 4 2091 1 1 4 LYS HG2 H -1.063 -3.241 8.477 1.00 . A A . 4 LYS HG2 1 1 4 2092 1 1 4 LYS HG3 H -1.961 -4.373 9.485 1.00 . A A . 4 LYS HG3 1 1 4 2093 1 1 4 LYS HZ1 H -2.202 -3.871 11.473 1.00 . A A . 4 LYS HZ1 1 1 4 2094 1 1 4 LYS HZ2 H -2.634 -2.238 11.633 1.00 . A A . 4 LYS HZ2 1 1 4 2095 1 1 4 LYS HZ3 H -1.669 -2.981 12.819 1.00 . A A . 4 LYS HZ3 1 1 4 2096 1 1 4 LYS N N 0.524 -5.934 6.148 1.00 . A A . 4 LYS N 1 1 4 2097 1 1 4 LYS NZ N -1.883 -2.937 11.800 1.00 . A A . 4 LYS NZ 1 1 4 2098 1 1 4 LYS O O 2.569 -4.966 7.998 1.00 . A A . 4 LYS O 1 1 4 2099 1 1 5 ARG C C 4.399 -3.343 6.827 1.00 . A A . 5 ARG C 1 1 4 2100 1 1 5 ARG CA C 3.329 -2.445 7.437 1.00 . A A . 5 ARG CA 1 1 4 2101 1 1 5 ARG CB C 3.520 -2.313 8.953 1.00 . A A . 5 ARG CB 1 1 4 2102 1 1 5 ARG CD C 3.165 0.103 9.509 1.00 . A A . 5 ARG CD 1 1 4 2103 1 1 5 ARG CG C 4.218 -0.983 9.271 1.00 . A A . 5 ARG CG 1 1 4 2104 1 1 5 ARG CZ C 0.926 0.561 8.707 1.00 . A A . 5 ARG CZ 1 1 4 2105 1 1 5 ARG H H 1.338 -2.479 6.686 1.00 . A A . 5 ARG H 1 1 4 2106 1 1 5 ARG HA H 3.389 -1.470 6.977 1.00 . A A . 5 ARG HA 1 1 4 2107 1 1 5 ARG HB2 H 2.559 -2.336 9.436 1.00 . A A . 5 ARG HB2 1 1 4 2108 1 1 5 ARG HB3 H 4.124 -3.131 9.316 1.00 . A A . 5 ARG HB3 1 1 4 2109 1 1 5 ARG HD2 H 2.765 0.020 10.507 1.00 . A A . 5 ARG HD2 1 1 4 2110 1 1 5 ARG HD3 H 3.619 1.077 9.400 1.00 . A A . 5 ARG HD3 1 1 4 2111 1 1 5 ARG HE H 2.189 -0.614 7.727 1.00 . A A . 5 ARG HE 1 1 4 2112 1 1 5 ARG HG2 H 4.813 -1.104 10.157 1.00 . A A . 5 ARG HG2 1 1 4 2113 1 1 5 ARG HG3 H 4.856 -0.693 8.448 1.00 . A A . 5 ARG HG3 1 1 4 2114 1 1 5 ARG HH11 H 1.511 1.440 10.405 1.00 . A A . 5 ARG HH11 1 1 4 2115 1 1 5 ARG HH12 H -0.106 1.794 9.898 1.00 . A A . 5 ARG HH12 1 1 4 2116 1 1 5 ARG HH21 H 0.071 -0.177 7.053 1.00 . A A . 5 ARG HH21 1 1 4 2117 1 1 5 ARG HH22 H -0.922 0.878 8.002 1.00 . A A . 5 ARG HH22 1 1 4 2118 1 1 5 ARG N N 2.005 -3.024 7.140 1.00 . A A . 5 ARG N 1 1 4 2119 1 1 5 ARG NE N 2.063 -0.049 8.516 1.00 . A A . 5 ARG NE 1 1 4 2120 1 1 5 ARG NH1 N 0.765 1.324 9.751 1.00 . A A . 5 ARG NH1 1 1 4 2121 1 1 5 ARG NH2 N -0.051 0.408 7.854 1.00 . A A . 5 ARG NH2 1 1 4 2122 1 1 5 ARG O O 4.866 -4.291 7.428 1.00 . A A . 5 ARG O 1 1 4 2123 1 1 6 ALA C C 6.108 -3.200 3.565 1.00 . A A . 6 ALA C 1 1 4 2124 1 1 6 ALA CA C 5.799 -3.850 4.914 1.00 . A A . 6 ALA CA 1 1 4 2125 1 1 6 ALA CB C 5.268 -5.276 4.696 1.00 . A A . 6 ALA CB 1 1 4 2126 1 1 6 ALA H H 4.347 -2.277 5.170 1.00 . A A . 6 ALA H 1 1 4 2127 1 1 6 ALA HA H 6.700 -3.885 5.510 1.00 . A A . 6 ALA HA 1 1 4 2128 1 1 6 ALA HB1 H 4.243 -5.332 5.032 1.00 . A A . 6 ALA HB1 1 1 4 2129 1 1 6 ALA HB2 H 5.868 -5.975 5.259 1.00 . A A . 6 ALA HB2 1 1 4 2130 1 1 6 ALA HB3 H 5.316 -5.528 3.645 1.00 . A A . 6 ALA HB3 1 1 4 2131 1 1 6 ALA N N 4.770 -3.039 5.621 1.00 . A A . 6 ALA N 1 1 4 2132 1 1 6 ALA O O 5.231 -2.930 2.767 1.00 . A A . 6 ALA O 1 1 4 2133 1 1 7 TRP C C 6.995 -2.843 0.871 1.00 . A A . 7 TRP C 1 1 4 2134 1 1 7 TRP CA C 7.780 -2.280 2.057 1.00 . A A . 7 TRP CA 1 1 4 2135 1 1 7 TRP CB C 9.280 -2.508 1.843 1.00 . A A . 7 TRP CB 1 1 4 2136 1 1 7 TRP CD1 C 9.308 -1.501 -0.470 1.00 . A A . 7 TRP CD1 1 1 4 2137 1 1 7 TRP CD2 C 10.192 -3.565 -0.412 1.00 . A A . 7 TRP CD2 1 1 4 2138 1 1 7 TRP CE2 C 10.272 -3.127 -1.753 1.00 . A A . 7 TRP CE2 1 1 4 2139 1 1 7 TRP CE3 C 10.683 -4.845 -0.100 1.00 . A A . 7 TRP CE3 1 1 4 2140 1 1 7 TRP CG C 9.580 -2.514 0.383 1.00 . A A . 7 TRP CG 1 1 4 2141 1 1 7 TRP CH2 C 11.303 -5.201 -2.428 1.00 . A A . 7 TRP CH2 1 1 4 2142 1 1 7 TRP CZ2 C 10.819 -3.930 -2.752 1.00 . A A . 7 TRP CZ2 1 1 4 2143 1 1 7 TRP CZ3 C 11.234 -5.658 -1.103 1.00 . A A . 7 TRP CZ3 1 1 4 2144 1 1 7 TRP H H 8.036 -3.151 4.000 1.00 . A A . 7 TRP H 1 1 4 2145 1 1 7 TRP HA H 7.595 -1.226 2.130 1.00 . A A . 7 TRP HA 1 1 4 2146 1 1 7 TRP HB2 H 9.837 -1.714 2.319 1.00 . A A . 7 TRP HB2 1 1 4 2147 1 1 7 TRP HB3 H 9.564 -3.455 2.274 1.00 . A A . 7 TRP HB3 1 1 4 2148 1 1 7 TRP HD1 H 8.846 -0.563 -0.204 1.00 . A A . 7 TRP HD1 1 1 4 2149 1 1 7 TRP HE1 H 9.638 -1.303 -2.537 1.00 . A A . 7 TRP HE1 1 1 4 2150 1 1 7 TRP HE3 H 10.634 -5.207 0.917 1.00 . A A . 7 TRP HE3 1 1 4 2151 1 1 7 TRP HH2 H 11.729 -5.828 -3.194 1.00 . A A . 7 TRP HH2 1 1 4 2152 1 1 7 TRP HZ2 H 10.871 -3.572 -3.770 1.00 . A A . 7 TRP HZ2 1 1 4 2153 1 1 7 TRP HZ3 H 11.609 -6.639 -0.854 1.00 . A A . 7 TRP HZ3 1 1 4 2154 1 1 7 TRP N N 7.361 -2.932 3.327 1.00 . A A . 7 TRP N 1 1 4 2155 1 1 7 TRP NE1 N 9.720 -1.862 -1.737 1.00 . A A . 7 TRP NE1 1 1 4 2156 1 1 7 TRP O O 6.785 -4.034 0.754 1.00 . A A . 7 TRP O 1 1 4 2157 1 1 8 CYS C C 6.708 -2.227 -2.459 1.00 . A A . 8 CYS C 1 1 4 2158 1 1 8 CYS CA C 5.833 -2.439 -1.227 1.00 . A A . 8 CYS CA 1 1 4 2159 1 1 8 CYS CB C 4.531 -1.644 -1.383 1.00 . A A . 8 CYS CB 1 1 4 2160 1 1 8 CYS H H 6.785 -1.025 0.096 1.00 . A A . 8 CYS H 1 1 4 2161 1 1 8 CYS HA H 5.595 -3.502 -1.138 1.00 . A A . 8 CYS HA 1 1 4 2162 1 1 8 CYS HB2 H 3.769 -2.310 -1.731 1.00 . A A . 8 CYS HB2 1 1 4 2163 1 1 8 CYS HB3 H 4.234 -1.215 -0.442 1.00 . A A . 8 CYS HB3 1 1 4 2164 1 1 8 CYS N N 6.584 -1.980 -0.022 1.00 . A A . 8 CYS N 1 1 4 2165 1 1 8 CYS O O 7.403 -1.236 -2.581 1.00 . A A . 8 CYS O 1 1 4 2166 1 1 8 CYS SG S 4.719 -0.326 -2.597 1.00 . A A . 8 CYS SG 1 1 4 2167 1 1 9 LYS C C 6.738 -2.218 -5.638 1.00 . A A . 9 LYS C 1 1 4 2168 1 1 9 LYS CA C 7.515 -3.018 -4.587 1.00 . A A . 9 LYS CA 1 1 4 2169 1 1 9 LYS CB C 7.832 -4.430 -5.083 1.00 . A A . 9 LYS CB 1 1 4 2170 1 1 9 LYS CD C 9.697 -5.771 -6.124 1.00 . A A . 9 LYS CD 1 1 4 2171 1 1 9 LYS CE C 9.674 -6.328 -7.545 1.00 . A A . 9 LYS CE 1 1 4 2172 1 1 9 LYS CG C 8.986 -4.401 -6.093 1.00 . A A . 9 LYS CG 1 1 4 2173 1 1 9 LYS H H 6.117 -3.940 -3.243 1.00 . A A . 9 LYS H 1 1 4 2174 1 1 9 LYS HA H 8.431 -2.503 -4.345 1.00 . A A . 9 LYS HA 1 1 4 2175 1 1 9 LYS HB2 H 8.104 -5.044 -4.238 1.00 . A A . 9 LYS HB2 1 1 4 2176 1 1 9 LYS HB3 H 6.954 -4.845 -5.556 1.00 . A A . 9 LYS HB3 1 1 4 2177 1 1 9 LYS HD2 H 10.723 -5.650 -5.807 1.00 . A A . 9 LYS HD2 1 1 4 2178 1 1 9 LYS HD3 H 9.199 -6.465 -5.463 1.00 . A A . 9 LYS HD3 1 1 4 2179 1 1 9 LYS HE2 H 10.056 -5.587 -8.230 1.00 . A A . 9 LYS HE2 1 1 4 2180 1 1 9 LYS HE3 H 10.285 -7.216 -7.595 1.00 . A A . 9 LYS HE3 1 1 4 2181 1 1 9 LYS HG2 H 8.590 -4.176 -7.073 1.00 . A A . 9 LYS HG2 1 1 4 2182 1 1 9 LYS HG3 H 9.695 -3.638 -5.810 1.00 . A A . 9 LYS HG3 1 1 4 2183 1 1 9 LYS HZ1 H 7.620 -6.036 -7.401 1.00 . A A . 9 LYS HZ1 1 1 4 2184 1 1 9 LYS HZ2 H 8.072 -7.653 -7.640 1.00 . A A . 9 LYS HZ2 1 1 4 2185 1 1 9 LYS HZ3 H 8.142 -6.552 -8.932 1.00 . A A . 9 LYS HZ3 1 1 4 2186 1 1 9 LYS N N 6.684 -3.150 -3.366 1.00 . A A . 9 LYS N 1 1 4 2187 1 1 9 LYS NZ N 8.271 -6.668 -7.907 1.00 . A A . 9 LYS NZ 1 1 4 2188 1 1 9 LYS O O 7.288 -1.399 -6.348 1.00 . A A . 9 LYS O 1 1 4 2189 1 1 10 GLU C C 3.199 -1.562 -6.121 1.00 . A A . 10 GLU C 1 1 4 2190 1 1 10 GLU CA C 4.613 -1.676 -6.691 1.00 . A A . 10 GLU CA 1 1 4 2191 1 1 10 GLU CB C 4.548 -2.410 -8.037 1.00 . A A . 10 GLU CB 1 1 4 2192 1 1 10 GLU CD C 5.855 -3.649 -9.774 1.00 . A A . 10 GLU CD 1 1 4 2193 1 1 10 GLU CG C 5.928 -2.969 -8.402 1.00 . A A . 10 GLU CG 1 1 4 2194 1 1 10 GLU H H 5.039 -3.076 -5.114 1.00 . A A . 10 GLU H 1 1 4 2195 1 1 10 GLU HA H 5.019 -0.686 -6.833 1.00 . A A . 10 GLU HA 1 1 4 2196 1 1 10 GLU HB2 H 3.837 -3.216 -7.970 1.00 . A A . 10 GLU HB2 1 1 4 2197 1 1 10 GLU HB3 H 4.233 -1.718 -8.803 1.00 . A A . 10 GLU HB3 1 1 4 2198 1 1 10 GLU HG2 H 6.646 -2.164 -8.437 1.00 . A A . 10 GLU HG2 1 1 4 2199 1 1 10 GLU HG3 H 6.231 -3.694 -7.662 1.00 . A A . 10 GLU HG3 1 1 4 2200 1 1 10 GLU N N 5.454 -2.431 -5.716 1.00 . A A . 10 GLU N 1 1 4 2201 1 1 10 GLU O O 2.825 -2.291 -5.225 1.00 . A A . 10 GLU O 1 1 4 2202 1 1 10 GLU OE1 O 4.790 -3.629 -10.369 1.00 . A A . 10 GLU OE1 1 1 4 2203 1 1 10 GLU OE2 O 6.867 -4.177 -10.207 1.00 . A A . 10 GLU OE2 1 1 4 2204 1 1 11 LYS C C 0.302 -1.863 -6.247 1.00 . A A . 11 LYS C 1 1 4 2205 1 1 11 LYS CA C 1.022 -0.518 -6.110 1.00 . A A . 11 LYS CA 1 1 4 2206 1 1 11 LYS CB C 0.302 0.607 -6.882 1.00 . A A . 11 LYS CB 1 1 4 2207 1 1 11 LYS CD C -1.515 1.206 -8.503 1.00 . A A . 11 LYS CD 1 1 4 2208 1 1 11 LYS CE C -1.833 0.737 -9.920 1.00 . A A . 11 LYS CE 1 1 4 2209 1 1 11 LYS CG C -0.850 0.057 -7.728 1.00 . A A . 11 LYS CG 1 1 4 2210 1 1 11 LYS H H 2.717 -0.093 -7.361 1.00 . A A . 11 LYS H 1 1 4 2211 1 1 11 LYS HA H 1.070 -0.255 -5.065 1.00 . A A . 11 LYS HA 1 1 4 2212 1 1 11 LYS HB2 H -0.086 1.326 -6.180 1.00 . A A . 11 LYS HB2 1 1 4 2213 1 1 11 LYS HB3 H 1.012 1.097 -7.531 1.00 . A A . 11 LYS HB3 1 1 4 2214 1 1 11 LYS HD2 H -2.431 1.494 -8.007 1.00 . A A . 11 LYS HD2 1 1 4 2215 1 1 11 LYS HD3 H -0.848 2.056 -8.548 1.00 . A A . 11 LYS HD3 1 1 4 2216 1 1 11 LYS HE2 H -2.555 1.404 -10.372 1.00 . A A . 11 LYS HE2 1 1 4 2217 1 1 11 LYS HE3 H -0.928 0.734 -10.509 1.00 . A A . 11 LYS HE3 1 1 4 2218 1 1 11 LYS HG2 H -0.466 -0.674 -8.419 1.00 . A A . 11 LYS HG2 1 1 4 2219 1 1 11 LYS HG3 H -1.582 -0.409 -7.084 1.00 . A A . 11 LYS HG3 1 1 4 2220 1 1 11 LYS HZ1 H -3.429 -0.593 -9.823 1.00 . A A . 11 LYS HZ1 1 1 4 2221 1 1 11 LYS HZ2 H -2.039 -1.116 -9.004 1.00 . A A . 11 LYS HZ2 1 1 4 2222 1 1 11 LYS HZ3 H -2.094 -1.172 -10.701 1.00 . A A . 11 LYS HZ3 1 1 4 2223 1 1 11 LYS N N 2.406 -0.665 -6.634 1.00 . A A . 11 LYS N 1 1 4 2224 1 1 11 LYS NZ N -2.392 -0.639 -9.858 1.00 . A A . 11 LYS NZ 1 1 4 2225 1 1 11 LYS O O -0.521 -2.220 -5.427 1.00 . A A . 11 LYS O 1 1 4 2226 1 1 12 LYS C C 0.751 -5.009 -6.637 1.00 . A A . 12 LYS C 1 1 4 2227 1 1 12 LYS CA C -0.035 -3.947 -7.422 1.00 . A A . 12 LYS CA 1 1 4 2228 1 1 12 LYS CB C -0.076 -4.347 -8.910 1.00 . A A . 12 LYS CB 1 1 4 2229 1 1 12 LYS CD C 0.413 -2.379 -10.447 1.00 . A A . 12 LYS CD 1 1 4 2230 1 1 12 LYS CE C 0.892 -2.348 -11.899 1.00 . A A . 12 LYS CE 1 1 4 2231 1 1 12 LYS CG C 1.002 -3.614 -9.737 1.00 . A A . 12 LYS CG 1 1 4 2232 1 1 12 LYS H H 1.291 -2.340 -7.907 1.00 . A A . 12 LYS H 1 1 4 2233 1 1 12 LYS HA H -1.042 -3.897 -7.039 1.00 . A A . 12 LYS HA 1 1 4 2234 1 1 12 LYS HB2 H 0.100 -5.403 -8.982 1.00 . A A . 12 LYS HB2 1 1 4 2235 1 1 12 LYS HB3 H -1.054 -4.127 -9.311 1.00 . A A . 12 LYS HB3 1 1 4 2236 1 1 12 LYS HD2 H -0.665 -2.416 -10.428 1.00 . A A . 12 LYS HD2 1 1 4 2237 1 1 12 LYS HD3 H 0.752 -1.485 -9.950 1.00 . A A . 12 LYS HD3 1 1 4 2238 1 1 12 LYS HE2 H 0.567 -1.431 -12.366 1.00 . A A . 12 LYS HE2 1 1 4 2239 1 1 12 LYS HE3 H 1.969 -2.406 -11.924 1.00 . A A . 12 LYS HE3 1 1 4 2240 1 1 12 LYS HG2 H 1.808 -3.305 -9.090 1.00 . A A . 12 LYS HG2 1 1 4 2241 1 1 12 LYS HG3 H 1.394 -4.295 -10.481 1.00 . A A . 12 LYS HG3 1 1 4 2242 1 1 12 LYS HZ1 H 0.275 -3.296 -13.645 1.00 . A A . 12 LYS HZ1 1 1 4 2243 1 1 12 LYS HZ2 H -0.645 -3.699 -12.279 1.00 . A A . 12 LYS HZ2 1 1 4 2244 1 1 12 LYS HZ3 H 0.913 -4.348 -12.474 1.00 . A A . 12 LYS HZ3 1 1 4 2245 1 1 12 LYS N N 0.619 -2.626 -7.262 1.00 . A A . 12 LYS N 1 1 4 2246 1 1 12 LYS NZ N 0.315 -3.510 -12.630 1.00 . A A . 12 LYS NZ 1 1 4 2247 1 1 12 LYS O O 0.356 -6.156 -6.576 1.00 . A A . 12 LYS O 1 1 4 2248 1 1 13 ASP C C 2.298 -5.699 -3.819 1.00 . A A . 13 ASP C 1 1 4 2249 1 1 13 ASP CA C 2.669 -5.667 -5.309 1.00 . A A . 13 ASP CA 1 1 4 2250 1 1 13 ASP CB C 4.156 -5.345 -5.468 1.00 . A A . 13 ASP CB 1 1 4 2251 1 1 13 ASP CG C 4.819 -6.405 -6.347 1.00 . A A . 13 ASP CG 1 1 4 2252 1 1 13 ASP H H 2.188 -3.730 -6.124 1.00 . A A . 13 ASP H 1 1 4 2253 1 1 13 ASP HA H 2.476 -6.643 -5.732 1.00 . A A . 13 ASP HA 1 1 4 2254 1 1 13 ASP HB2 H 4.256 -4.383 -5.936 1.00 . A A . 13 ASP HB2 1 1 4 2255 1 1 13 ASP HB3 H 4.635 -5.327 -4.501 1.00 . A A . 13 ASP HB3 1 1 4 2256 1 1 13 ASP N N 1.866 -4.653 -6.055 1.00 . A A . 13 ASP N 1 1 4 2257 1 1 13 ASP O O 2.905 -6.416 -3.052 1.00 . A A . 13 ASP O 1 1 4 2258 1 1 13 ASP OD1 O 4.229 -6.764 -7.352 1.00 . A A . 13 ASP OD1 1 1 4 2259 1 1 13 ASP OD2 O 5.903 -6.844 -5.999 1.00 . A A . 13 ASP OD2 1 1 4 2260 1 1 14 CYS C C -0.075 -6.146 -1.790 1.00 . A A . 14 CYS C 1 1 4 2261 1 1 14 CYS CA C 0.936 -5.020 -1.961 1.00 . A A . 14 CYS CA 1 1 4 2262 1 1 14 CYS CB C 0.307 -3.694 -1.543 1.00 . A A . 14 CYS CB 1 1 4 2263 1 1 14 CYS H H 0.799 -4.394 -3.993 1.00 . A A . 14 CYS H 1 1 4 2264 1 1 14 CYS HA H 1.811 -5.220 -1.360 1.00 . A A . 14 CYS HA 1 1 4 2265 1 1 14 CYS HB2 H -0.312 -3.323 -2.346 1.00 . A A . 14 CYS HB2 1 1 4 2266 1 1 14 CYS HB3 H -0.294 -3.844 -0.679 1.00 . A A . 14 CYS HB3 1 1 4 2267 1 1 14 CYS N N 1.307 -4.964 -3.389 1.00 . A A . 14 CYS N 1 1 4 2268 1 1 14 CYS O O -0.919 -6.365 -2.638 1.00 . A A . 14 CYS O 1 1 4 2269 1 1 14 CYS SG S 1.603 -2.485 -1.186 1.00 . A A . 14 CYS SG 1 1 4 2270 1 1 15 CYS C C -2.352 -7.456 -0.650 1.00 . A A . 15 CYS C 1 1 4 2271 1 1 15 CYS CA C -0.933 -7.984 -0.512 1.00 . A A . 15 CYS CA 1 1 4 2272 1 1 15 CYS CB C -0.715 -8.549 0.883 1.00 . A A . 15 CYS CB 1 1 4 2273 1 1 15 CYS H H 0.691 -6.707 -0.044 1.00 . A A . 15 CYS H 1 1 4 2274 1 1 15 CYS HA H -0.758 -8.754 -1.249 1.00 . A A . 15 CYS HA 1 1 4 2275 1 1 15 CYS HB2 H -0.886 -7.778 1.615 1.00 . A A . 15 CYS HB2 1 1 4 2276 1 1 15 CYS HB3 H -1.395 -9.346 1.048 1.00 . A A . 15 CYS HB3 1 1 4 2277 1 1 15 CYS N N 0.060 -6.876 -0.715 1.00 . A A . 15 CYS N 1 1 4 2278 1 1 15 CYS O O -2.639 -6.324 -0.324 1.00 . A A . 15 CYS O 1 1 4 2279 1 1 15 CYS SG S 0.987 -9.151 1.035 1.00 . A A . 15 CYS SG 1 1 4 2280 1 1 16 CYS C C -5.150 -7.209 -0.030 1.00 . A A . 16 CYS C 1 1 4 2281 1 1 16 CYS CA C -4.627 -7.789 -1.323 1.00 . A A . 16 CYS CA 1 1 4 2282 1 1 16 CYS CB C -5.475 -8.976 -1.765 1.00 . A A . 16 CYS CB 1 1 4 2283 1 1 16 CYS H H -2.993 -9.162 -1.423 1.00 . A A . 16 CYS H 1 1 4 2284 1 1 16 CYS HA H -4.652 -7.028 -2.081 1.00 . A A . 16 CYS HA 1 1 4 2285 1 1 16 CYS HB2 H -5.016 -9.892 -1.426 1.00 . A A . 16 CYS HB2 1 1 4 2286 1 1 16 CYS HB3 H -6.453 -8.893 -1.343 1.00 . A A . 16 CYS HB3 1 1 4 2287 1 1 16 CYS N N -3.239 -8.255 -1.149 1.00 . A A . 16 CYS N 1 1 4 2288 1 1 16 CYS O O -5.237 -7.892 0.998 1.00 . A A . 16 CYS O 1 1 4 2289 1 1 16 CYS SG S -5.592 -8.993 -3.572 1.00 . A A . 16 CYS SG 1 1 4 2290 1 1 17 GLY C C -5.099 -4.135 1.639 1.00 . A A . 17 GLY C 1 1 4 2291 1 1 17 GLY CA C -6.020 -5.293 1.236 1.00 . A A . 17 GLY CA 1 1 4 2292 1 1 17 GLY H H -5.417 -5.421 -0.831 1.00 . A A . 17 GLY H 1 1 4 2293 1 1 17 GLY HA2 H -7.014 -4.913 1.049 1.00 . A A . 17 GLY HA2 1 1 4 2294 1 1 17 GLY HA3 H -6.057 -6.013 2.039 1.00 . A A . 17 GLY HA3 1 1 4 2295 1 1 17 GLY N N -5.499 -5.946 -0.050 1.00 . A A . 17 GLY N 1 1 4 2296 1 1 17 GLY O O -5.446 -3.315 2.468 1.00 . A A . 17 GLY O 1 1 4 2297 1 1 18 TYR C C -2.552 -2.244 0.117 1.00 . A A . 18 TYR C 1 1 4 2298 1 1 18 TYR CA C -2.976 -2.965 1.405 1.00 . A A . 18 TYR CA 1 1 4 2299 1 1 18 TYR CB C -1.731 -3.567 2.052 1.00 . A A . 18 TYR CB 1 1 4 2300 1 1 18 TYR CD1 C -2.340 -5.865 2.862 1.00 . A A . 18 TYR CD1 1 1 4 2301 1 1 18 TYR CD2 C -2.206 -4.066 4.479 1.00 . A A . 18 TYR CD2 1 1 4 2302 1 1 18 TYR CE1 C -2.670 -6.762 3.881 1.00 . A A . 18 TYR CE1 1 1 4 2303 1 1 18 TYR CE2 C -2.532 -4.965 5.502 1.00 . A A . 18 TYR CE2 1 1 4 2304 1 1 18 TYR CG C -2.109 -4.518 3.160 1.00 . A A . 18 TYR CG 1 1 4 2305 1 1 18 TYR CZ C -2.765 -6.314 5.203 1.00 . A A . 18 TYR CZ 1 1 4 2306 1 1 18 TYR H H -3.661 -4.771 0.362 1.00 . A A . 18 TYR H 1 1 4 2307 1 1 18 TYR HA H -3.437 -2.264 2.084 1.00 . A A . 18 TYR HA 1 1 4 2308 1 1 18 TYR HB2 H -1.168 -4.103 1.307 1.00 . A A . 18 TYR HB2 1 1 4 2309 1 1 18 TYR HB3 H -1.124 -2.773 2.460 1.00 . A A . 18 TYR HB3 1 1 4 2310 1 1 18 TYR HD1 H -2.269 -6.211 1.844 1.00 . A A . 18 TYR HD1 1 1 4 2311 1 1 18 TYR HD2 H -2.028 -3.026 4.710 1.00 . A A . 18 TYR HD2 1 1 4 2312 1 1 18 TYR HE1 H -2.848 -7.801 3.647 1.00 . A A . 18 TYR HE1 1 1 4 2313 1 1 18 TYR HE2 H -2.606 -4.619 6.523 1.00 . A A . 18 TYR HE2 1 1 4 2314 1 1 18 TYR HH H -2.817 -8.082 5.923 1.00 . A A . 18 TYR HH 1 1 4 2315 1 1 18 TYR N N -3.928 -4.064 1.061 1.00 . A A . 18 TYR N 1 1 4 2316 1 1 18 TYR O O -2.399 -2.859 -0.920 1.00 . A A . 18 TYR O 1 1 4 2317 1 1 18 TYR OH O -3.083 -7.204 6.208 1.00 . A A . 18 TYR OH 1 1 4 2318 1 1 19 ASN C C -0.452 0.233 -0.902 1.00 . A A . 19 ASN C 1 1 4 2319 1 1 19 ASN CA C -1.917 -0.195 -1.055 1.00 . A A . 19 ASN CA 1 1 4 2320 1 1 19 ASN CB C -2.789 1.046 -1.236 1.00 . A A . 19 ASN CB 1 1 4 2321 1 1 19 ASN CG C -3.048 1.687 0.125 1.00 . A A . 19 ASN CG 1 1 4 2322 1 1 19 ASN H H -2.468 -0.470 1.022 1.00 . A A . 19 ASN H 1 1 4 2323 1 1 19 ASN HA H -2.014 -0.832 -1.923 1.00 . A A . 19 ASN HA 1 1 4 2324 1 1 19 ASN HB2 H -2.278 1.753 -1.877 1.00 . A A . 19 ASN HB2 1 1 4 2325 1 1 19 ASN HB3 H -3.728 0.765 -1.688 1.00 . A A . 19 ASN HB3 1 1 4 2326 1 1 19 ASN HD21 H -1.454 2.867 0.035 1.00 . A A . 19 ASN HD21 1 1 4 2327 1 1 19 ASN HD22 H -2.388 3.015 1.443 1.00 . A A . 19 ASN HD22 1 1 4 2328 1 1 19 ASN N N -2.348 -0.947 0.172 1.00 . A A . 19 ASN N 1 1 4 2329 1 1 19 ASN ND2 N -2.228 2.598 0.571 1.00 . A A . 19 ASN ND2 1 1 4 2330 1 1 19 ASN O O 0.149 0.027 0.126 1.00 . A A . 19 ASN O 1 1 4 2331 1 1 19 ASN OD1 O -4.003 1.351 0.794 1.00 . A A . 19 ASN OD1 1 1 4 2332 1 1 20 CYS C C 1.642 2.691 -1.282 1.00 . A A . 20 CYS C 1 1 4 2333 1 1 20 CYS CA C 1.552 1.261 -1.815 1.00 . A A . 20 CYS CA 1 1 4 2334 1 1 20 CYS CB C 2.178 1.217 -3.208 1.00 . A A . 20 CYS CB 1 1 4 2335 1 1 20 CYS H H -0.360 0.996 -2.742 1.00 . A A . 20 CYS H 1 1 4 2336 1 1 20 CYS HA H 2.091 0.594 -1.160 1.00 . A A . 20 CYS HA 1 1 4 2337 1 1 20 CYS HB2 H 1.417 1.384 -3.935 1.00 . A A . 20 CYS HB2 1 1 4 2338 1 1 20 CYS HB3 H 2.913 1.982 -3.298 1.00 . A A . 20 CYS HB3 1 1 4 2339 1 1 20 CYS N N 0.131 0.831 -1.914 1.00 . A A . 20 CYS N 1 1 4 2340 1 1 20 CYS O O 0.929 3.578 -1.709 1.00 . A A . 20 CYS O 1 1 4 2341 1 1 20 CYS SG S 2.933 -0.388 -3.523 1.00 . A A . 20 CYS SG 1 1 4 2342 1 1 21 VAL C C 4.191 4.673 -0.018 1.00 . A A . 21 VAL C 1 1 4 2343 1 1 21 VAL CA C 2.734 4.283 0.193 1.00 . A A . 21 VAL CA 1 1 4 2344 1 1 21 VAL CB C 2.421 4.269 1.690 1.00 . A A . 21 VAL CB 1 1 4 2345 1 1 21 VAL CG1 C 2.758 5.640 2.300 1.00 . A A . 21 VAL CG1 1 1 4 2346 1 1 21 VAL CG2 C 0.934 3.959 1.889 1.00 . A A . 21 VAL CG2 1 1 4 2347 1 1 21 VAL H H 3.117 2.184 -0.063 1.00 . A A . 21 VAL H 1 1 4 2348 1 1 21 VAL HA H 2.091 4.988 -0.312 1.00 . A A . 21 VAL HA 1 1 4 2349 1 1 21 VAL HB H 3.017 3.506 2.172 1.00 . A A . 21 VAL HB 1 1 4 2350 1 1 21 VAL HG11 H 2.006 5.912 3.024 1.00 . A A . 21 VAL HG11 1 1 4 2351 1 1 21 VAL HG12 H 2.791 6.387 1.520 1.00 . A A . 21 VAL HG12 1 1 4 2352 1 1 21 VAL HG13 H 3.723 5.591 2.786 1.00 . A A . 21 VAL HG13 1 1 4 2353 1 1 21 VAL HG21 H 0.351 4.500 1.157 1.00 . A A . 21 VAL HG21 1 1 4 2354 1 1 21 VAL HG22 H 0.632 4.257 2.880 1.00 . A A . 21 VAL HG22 1 1 4 2355 1 1 21 VAL HG23 H 0.767 2.899 1.766 1.00 . A A . 21 VAL HG23 1 1 4 2356 1 1 21 VAL N N 2.544 2.918 -0.368 1.00 . A A . 21 VAL N 1 1 4 2357 1 1 21 VAL O O 5.062 4.243 0.710 1.00 . A A . 21 VAL O 1 1 4 2358 1 1 22 TYR C C 6.385 6.704 -0.098 1.00 . A A . 22 TYR C 1 1 4 2359 1 1 22 TYR CA C 5.893 5.834 -1.252 1.00 . A A . 22 TYR CA 1 1 4 2360 1 1 22 TYR CB C 6.011 6.610 -2.566 1.00 . A A . 22 TYR CB 1 1 4 2361 1 1 22 TYR CD1 C 7.912 5.474 -3.767 1.00 . A A . 22 TYR CD1 1 1 4 2362 1 1 22 TYR CD2 C 8.311 7.631 -2.734 1.00 . A A . 22 TYR CD2 1 1 4 2363 1 1 22 TYR CE1 C 9.241 5.434 -4.201 1.00 . A A . 22 TYR CE1 1 1 4 2364 1 1 22 TYR CE2 C 9.642 7.591 -3.169 1.00 . A A . 22 TYR CE2 1 1 4 2365 1 1 22 TYR CG C 7.448 6.574 -3.035 1.00 . A A . 22 TYR CG 1 1 4 2366 1 1 22 TYR CZ C 10.107 6.491 -3.903 1.00 . A A . 22 TYR CZ 1 1 4 2367 1 1 22 TYR H H 3.730 5.826 -1.623 1.00 . A A . 22 TYR H 1 1 4 2368 1 1 22 TYR HA H 6.491 4.941 -1.307 1.00 . A A . 22 TYR HA 1 1 4 2369 1 1 22 TYR HB2 H 5.377 6.157 -3.313 1.00 . A A . 22 TYR HB2 1 1 4 2370 1 1 22 TYR HB3 H 5.712 7.635 -2.410 1.00 . A A . 22 TYR HB3 1 1 4 2371 1 1 22 TYR HD1 H 7.245 4.658 -3.999 1.00 . A A . 22 TYR HD1 1 1 4 2372 1 1 22 TYR HD2 H 7.952 8.480 -2.169 1.00 . A A . 22 TYR HD2 1 1 4 2373 1 1 22 TYR HE1 H 9.599 4.586 -4.766 1.00 . A A . 22 TYR HE1 1 1 4 2374 1 1 22 TYR HE2 H 10.311 8.406 -2.937 1.00 . A A . 22 TYR HE2 1 1 4 2375 1 1 22 TYR HH H 11.985 6.441 -3.562 1.00 . A A . 22 TYR HH 1 1 4 2376 1 1 22 TYR N N 4.476 5.464 -1.012 1.00 . A A . 22 TYR N 1 1 4 2377 1 1 22 TYR O O 5.792 7.713 0.228 1.00 . A A . 22 TYR O 1 1 4 2378 1 1 22 TYR OH O 11.417 6.449 -4.335 1.00 . A A . 22 TYR OH 1 1 4 2379 1 1 23 ALA C C 8.951 8.200 1.093 1.00 . A A . 23 ALA C 1 1 4 2380 1 1 23 ALA CA C 7.997 7.146 1.649 1.00 . A A . 23 ALA CA 1 1 4 2381 1 1 23 ALA CB C 8.745 6.249 2.642 1.00 . A A . 23 ALA CB 1 1 4 2382 1 1 23 ALA H H 7.941 5.510 0.245 1.00 . A A . 23 ALA H 1 1 4 2383 1 1 23 ALA HA H 7.175 7.635 2.152 1.00 . A A . 23 ALA HA 1 1 4 2384 1 1 23 ALA HB1 H 8.314 5.259 2.629 1.00 . A A . 23 ALA HB1 1 1 4 2385 1 1 23 ALA HB2 H 8.660 6.664 3.634 1.00 . A A . 23 ALA HB2 1 1 4 2386 1 1 23 ALA HB3 H 9.786 6.192 2.367 1.00 . A A . 23 ALA HB3 1 1 4 2387 1 1 23 ALA N N 7.472 6.326 0.521 1.00 . A A . 23 ALA N 1 1 4 2388 1 1 23 ALA O O 10.093 7.917 0.788 1.00 . A A . 23 ALA O 1 1 4 2389 1 1 24 TRP C C 10.707 10.453 1.193 1.00 . A A . 24 TRP C 1 1 4 2390 1 1 24 TRP CA C 9.386 10.472 0.415 1.00 . A A . 24 TRP CA 1 1 4 2391 1 1 24 TRP CB C 8.708 11.844 0.537 1.00 . A A . 24 TRP CB 1 1 4 2392 1 1 24 TRP CD1 C 7.788 11.362 2.832 1.00 . A A . 24 TRP CD1 1 1 4 2393 1 1 24 TRP CD2 C 6.215 12.122 1.419 1.00 . A A . 24 TRP CD2 1 1 4 2394 1 1 24 TRP CE2 C 5.571 11.896 2.659 1.00 . A A . 24 TRP CE2 1 1 4 2395 1 1 24 TRP CE3 C 5.440 12.606 0.351 1.00 . A A . 24 TRP CE3 1 1 4 2396 1 1 24 TRP CG C 7.622 11.778 1.560 1.00 . A A . 24 TRP CG 1 1 4 2397 1 1 24 TRP CH2 C 3.454 12.621 1.762 1.00 . A A . 24 TRP CH2 1 1 4 2398 1 1 24 TRP CZ2 C 4.211 12.141 2.833 1.00 . A A . 24 TRP CZ2 1 1 4 2399 1 1 24 TRP CZ3 C 4.067 12.853 0.521 1.00 . A A . 24 TRP CZ3 1 1 4 2400 1 1 24 TRP H H 7.571 9.622 1.203 1.00 . A A . 24 TRP H 1 1 4 2401 1 1 24 TRP HA H 9.588 10.264 -0.627 1.00 . A A . 24 TRP HA 1 1 4 2402 1 1 24 TRP HB2 H 9.434 12.588 0.830 1.00 . A A . 24 TRP HB2 1 1 4 2403 1 1 24 TRP HB3 H 8.280 12.119 -0.418 1.00 . A A . 24 TRP HB3 1 1 4 2404 1 1 24 TRP HD1 H 8.717 11.030 3.266 1.00 . A A . 24 TRP HD1 1 1 4 2405 1 1 24 TRP HE1 H 6.423 11.191 4.425 1.00 . A A . 24 TRP HE1 1 1 4 2406 1 1 24 TRP HE3 H 5.902 12.788 -0.609 1.00 . A A . 24 TRP HE3 1 1 4 2407 1 1 24 TRP HH2 H 2.399 12.812 1.886 1.00 . A A . 24 TRP HH2 1 1 4 2408 1 1 24 TRP HZ2 H 3.744 11.961 3.790 1.00 . A A . 24 TRP HZ2 1 1 4 2409 1 1 24 TRP HZ3 H 3.481 13.223 -0.307 1.00 . A A . 24 TRP HZ3 1 1 4 2410 1 1 24 TRP N N 8.495 9.410 0.954 1.00 . A A . 24 TRP N 1 1 4 2411 1 1 24 TRP NE1 N 6.574 11.435 3.489 1.00 . A A . 24 TRP NE1 1 1 4 2412 1 1 24 TRP O O 11.744 10.813 0.669 1.00 . A A . 24 TRP O 1 1 4 2413 1 1 25 TYR C C 12.481 8.517 3.207 1.00 . A A . 25 TYR C 1 1 4 2414 1 1 25 TYR CA C 11.951 9.956 3.224 1.00 . A A . 25 TYR CA 1 1 4 2415 1 1 25 TYR CB C 11.719 10.423 4.676 1.00 . A A . 25 TYR CB 1 1 4 2416 1 1 25 TYR CD1 C 9.955 8.690 5.259 1.00 . A A . 25 TYR CD1 1 1 4 2417 1 1 25 TYR CD2 C 9.459 11.036 5.629 1.00 . A A . 25 TYR CD2 1 1 4 2418 1 1 25 TYR CE1 C 8.694 8.346 5.769 1.00 . A A . 25 TYR CE1 1 1 4 2419 1 1 25 TYR CE2 C 8.198 10.692 6.132 1.00 . A A . 25 TYR CE2 1 1 4 2420 1 1 25 TYR CG C 10.341 10.037 5.187 1.00 . A A . 25 TYR CG 1 1 4 2421 1 1 25 TYR CZ C 7.815 9.347 6.203 1.00 . A A . 25 TYR CZ 1 1 4 2422 1 1 25 TYR H H 9.798 9.716 2.857 1.00 . A A . 25 TYR H 1 1 4 2423 1 1 25 TYR HA H 12.687 10.602 2.762 1.00 . A A . 25 TYR HA 1 1 4 2424 1 1 25 TYR HB2 H 12.464 9.975 5.315 1.00 . A A . 25 TYR HB2 1 1 4 2425 1 1 25 TYR HB3 H 11.822 11.497 4.720 1.00 . A A . 25 TYR HB3 1 1 4 2426 1 1 25 TYR HD1 H 10.625 7.919 4.925 1.00 . A A . 25 TYR HD1 1 1 4 2427 1 1 25 TYR HD2 H 9.751 12.076 5.574 1.00 . A A . 25 TYR HD2 1 1 4 2428 1 1 25 TYR HE1 H 8.400 7.307 5.825 1.00 . A A . 25 TYR HE1 1 1 4 2429 1 1 25 TYR HE2 H 7.521 11.465 6.469 1.00 . A A . 25 TYR HE2 1 1 4 2430 1 1 25 TYR HH H 6.298 8.187 6.298 1.00 . A A . 25 TYR HH 1 1 4 2431 1 1 25 TYR N N 10.686 10.016 2.432 1.00 . A A . 25 TYR N 1 1 4 2432 1 1 25 TYR O O 11.727 7.573 3.100 1.00 . A A . 25 TYR O 1 1 4 2433 1 1 25 TYR OH O 6.574 9.010 6.710 1.00 . A A . 25 TYR OH 1 1 4 2434 1 1 26 ASN C C 13.759 6.222 2.023 1.00 . A A . 26 ASN C 1 1 4 2435 1 1 26 ASN CA C 14.340 6.959 3.237 1.00 . A A . 26 ASN CA 1 1 4 2436 1 1 26 ASN CB C 14.011 6.219 4.544 1.00 . A A . 26 ASN CB 1 1 4 2437 1 1 26 ASN CG C 12.718 5.435 4.388 1.00 . A A . 26 ASN CG 1 1 4 2438 1 1 26 ASN H H 14.377 9.115 3.340 1.00 . A A . 26 ASN H 1 1 4 2439 1 1 26 ASN HA H 15.403 7.018 3.129 1.00 . A A . 26 ASN HA 1 1 4 2440 1 1 26 ASN HB2 H 14.815 5.537 4.786 1.00 . A A . 26 ASN HB2 1 1 4 2441 1 1 26 ASN HB3 H 13.899 6.937 5.341 1.00 . A A . 26 ASN HB3 1 1 4 2442 1 1 26 ASN HD21 H 11.687 6.684 5.523 1.00 . A A . 26 ASN HD21 1 1 4 2443 1 1 26 ASN HD22 H 10.817 5.389 4.875 1.00 . A A . 26 ASN HD22 1 1 4 2444 1 1 26 ASN N N 13.776 8.340 3.278 1.00 . A A . 26 ASN N 1 1 4 2445 1 1 26 ASN ND2 N 11.652 5.867 4.983 1.00 . A A . 26 ASN ND2 1 1 4 2446 1 1 26 ASN O O 13.897 5.023 1.883 1.00 . A A . 26 ASN O 1 1 4 2447 1 1 26 ASN OD1 O 12.678 4.415 3.731 1.00 . A A . 26 ASN OD1 1 1 4 2448 1 1 27 GLN C C 11.818 5.025 0.321 1.00 . A A . 27 GLN C 1 1 4 2449 1 1 27 GLN CA C 12.532 6.316 -0.081 1.00 . A A . 27 GLN CA 1 1 4 2450 1 1 27 GLN CB C 13.649 6.005 -1.079 1.00 . A A . 27 GLN CB 1 1 4 2451 1 1 27 GLN CD C 13.452 8.250 -2.172 1.00 . A A . 27 GLN CD 1 1 4 2452 1 1 27 GLN CG C 14.391 7.298 -1.429 1.00 . A A . 27 GLN CG 1 1 4 2453 1 1 27 GLN H H 13.036 7.913 1.270 1.00 . A A . 27 GLN H 1 1 4 2454 1 1 27 GLN HA H 11.822 6.995 -0.534 1.00 . A A . 27 GLN HA 1 1 4 2455 1 1 27 GLN HB2 H 14.339 5.299 -0.638 1.00 . A A . 27 GLN HB2 1 1 4 2456 1 1 27 GLN HB3 H 13.225 5.582 -1.978 1.00 . A A . 27 GLN HB3 1 1 4 2457 1 1 27 GLN HE21 H 13.836 9.788 -0.976 1.00 . A A . 27 GLN HE21 1 1 4 2458 1 1 27 GLN HE22 H 12.732 10.100 -2.228 1.00 . A A . 27 GLN HE22 1 1 4 2459 1 1 27 GLN HG2 H 14.735 7.770 -0.519 1.00 . A A . 27 GLN HG2 1 1 4 2460 1 1 27 GLN HG3 H 15.239 7.069 -2.057 1.00 . A A . 27 GLN HG3 1 1 4 2461 1 1 27 GLN N N 13.122 6.947 1.135 1.00 . A A . 27 GLN N 1 1 4 2462 1 1 27 GLN NE2 N 13.329 9.482 -1.757 1.00 . A A . 27 GLN NE2 1 1 4 2463 1 1 27 GLN O O 11.310 4.911 1.416 1.00 . A A . 27 GLN O 1 1 4 2464 1 1 27 GLN OE1 O 12.825 7.871 -3.140 1.00 . A A . 27 GLN OE1 1 1 4 2465 1 1 28 GLN C C 9.631 3.008 0.109 1.00 . A A . 28 GLN C 1 1 4 2466 1 1 28 GLN CA C 11.112 2.765 -0.199 1.00 . A A . 28 GLN CA 1 1 4 2467 1 1 28 GLN CB C 11.789 2.146 1.028 1.00 . A A . 28 GLN CB 1 1 4 2468 1 1 28 GLN CD C 13.923 1.214 1.925 1.00 . A A . 28 GLN CD 1 1 4 2469 1 1 28 GLN CG C 13.223 1.748 0.675 1.00 . A A . 28 GLN CG 1 1 4 2470 1 1 28 GLN H H 12.208 4.162 -1.421 1.00 . A A . 28 GLN H 1 1 4 2471 1 1 28 GLN HA H 11.195 2.083 -1.033 1.00 . A A . 28 GLN HA 1 1 4 2472 1 1 28 GLN HB2 H 11.805 2.863 1.834 1.00 . A A . 28 GLN HB2 1 1 4 2473 1 1 28 GLN HB3 H 11.242 1.271 1.339 1.00 . A A . 28 GLN HB3 1 1 4 2474 1 1 28 GLN HE21 H 15.045 -0.076 0.917 1.00 . A A . 28 GLN HE21 1 1 4 2475 1 1 28 GLN HE22 H 15.277 -0.071 2.598 1.00 . A A . 28 GLN HE22 1 1 4 2476 1 1 28 GLN HG2 H 13.207 0.982 -0.087 1.00 . A A . 28 GLN HG2 1 1 4 2477 1 1 28 GLN HG3 H 13.757 2.612 0.308 1.00 . A A . 28 GLN HG3 1 1 4 2478 1 1 28 GLN N N 11.785 4.052 -0.544 1.00 . A A . 28 GLN N 1 1 4 2479 1 1 28 GLN NE2 N 14.823 0.278 1.804 1.00 . A A . 28 GLN NE2 1 1 4 2480 1 1 28 GLN O O 9.270 3.921 0.828 1.00 . A A . 28 GLN O 1 1 4 2481 1 1 28 GLN OE1 O 13.651 1.655 3.023 1.00 . A A . 28 GLN OE1 1 1 4 2482 1 1 29 SER C C 6.873 1.401 0.938 1.00 . A A . 29 SER C 1 1 4 2483 1 1 29 SER CA C 7.306 2.343 -0.187 1.00 . A A . 29 SER CA 1 1 4 2484 1 1 29 SER CB C 6.542 1.984 -1.460 1.00 . A A . 29 SER CB 1 1 4 2485 1 1 29 SER H H 9.091 1.461 -1.009 1.00 . A A . 29 SER H 1 1 4 2486 1 1 29 SER HA H 7.091 3.361 0.092 1.00 . A A . 29 SER HA 1 1 4 2487 1 1 29 SER HB2 H 6.924 1.060 -1.860 1.00 . A A . 29 SER HB2 1 1 4 2488 1 1 29 SER HB3 H 5.493 1.864 -1.224 1.00 . A A . 29 SER HB3 1 1 4 2489 1 1 29 SER HG H 5.976 2.973 -3.035 1.00 . A A . 29 SER HG 1 1 4 2490 1 1 29 SER N N 8.771 2.186 -0.434 1.00 . A A . 29 SER N 1 1 4 2491 1 1 29 SER O O 7.621 0.549 1.359 1.00 . A A . 29 SER O 1 1 4 2492 1 1 29 SER OG O 6.712 3.014 -2.421 1.00 . A A . 29 SER OG 1 1 4 2493 1 1 30 SER C C 3.700 0.308 2.243 1.00 . A A . 30 SER C 1 1 4 2494 1 1 30 SER CA C 5.168 0.654 2.499 1.00 . A A . 30 SER CA 1 1 4 2495 1 1 30 SER CB C 5.301 1.367 3.845 1.00 . A A . 30 SER CB 1 1 4 2496 1 1 30 SER H H 5.077 2.219 1.059 1.00 . A A . 30 SER H 1 1 4 2497 1 1 30 SER HA H 5.747 -0.239 2.506 1.00 . A A . 30 SER HA 1 1 4 2498 1 1 30 SER HB2 H 6.335 1.596 4.035 1.00 . A A . 30 SER HB2 1 1 4 2499 1 1 30 SER HB3 H 4.728 2.286 3.821 1.00 . A A . 30 SER HB3 1 1 4 2500 1 1 30 SER HG H 4.600 -0.333 4.478 1.00 . A A . 30 SER HG 1 1 4 2501 1 1 30 SER N N 5.662 1.541 1.417 1.00 . A A . 30 SER N 1 1 4 2502 1 1 30 SER O O 2.882 1.175 2.010 1.00 . A A . 30 SER O 1 1 4 2503 1 1 30 SER OG O 4.812 0.517 4.872 1.00 . A A . 30 SER OG 1 1 4 2504 1 1 31 CYS C C 1.081 -0.926 3.240 1.00 . A A . 31 CYS C 1 1 4 2505 1 1 31 CYS CA C 1.932 -1.333 2.042 1.00 . A A . 31 CYS CA 1 1 4 2506 1 1 31 CYS CB C 1.825 -2.843 1.829 1.00 . A A . 31 CYS CB 1 1 4 2507 1 1 31 CYS H H 4.019 -1.645 2.481 1.00 . A A . 31 CYS H 1 1 4 2508 1 1 31 CYS HA H 1.577 -0.821 1.165 1.00 . A A . 31 CYS HA 1 1 4 2509 1 1 31 CYS HB2 H 2.261 -3.358 2.668 1.00 . A A . 31 CYS HB2 1 1 4 2510 1 1 31 CYS HB3 H 0.790 -3.118 1.741 1.00 . A A . 31 CYS HB3 1 1 4 2511 1 1 31 CYS N N 3.352 -0.953 2.285 1.00 . A A . 31 CYS N 1 1 4 2512 1 1 31 CYS O O 1.415 -1.213 4.371 1.00 . A A . 31 CYS O 1 1 4 2513 1 1 31 CYS SG S 2.693 -3.304 0.314 1.00 . A A . 31 CYS SG 1 1 4 2514 1 1 32 GLU C C -2.357 0.190 3.701 1.00 . A A . 32 GLU C 1 1 4 2515 1 1 32 GLU CA C -0.889 0.138 4.149 1.00 . A A . 32 GLU CA 1 1 4 2516 1 1 32 GLU CB C -0.428 1.510 4.681 1.00 . A A . 32 GLU CB 1 1 4 2517 1 1 32 GLU CD C -0.988 3.939 4.877 1.00 . A A . 32 GLU CD 1 1 4 2518 1 1 32 GLU CG C -1.418 2.601 4.274 1.00 . A A . 32 GLU CG 1 1 4 2519 1 1 32 GLU H H -0.284 -0.051 2.090 1.00 . A A . 32 GLU H 1 1 4 2520 1 1 32 GLU HA H -0.799 -0.592 4.938 1.00 . A A . 32 GLU HA 1 1 4 2521 1 1 32 GLU HB2 H -0.365 1.473 5.757 1.00 . A A . 32 GLU HB2 1 1 4 2522 1 1 32 GLU HB3 H 0.545 1.743 4.274 1.00 . A A . 32 GLU HB3 1 1 4 2523 1 1 32 GLU HG2 H -1.439 2.679 3.197 1.00 . A A . 32 GLU HG2 1 1 4 2524 1 1 32 GLU HG3 H -2.402 2.346 4.639 1.00 . A A . 32 GLU HG3 1 1 4 2525 1 1 32 GLU N N -0.023 -0.268 3.008 1.00 . A A . 32 GLU N 1 1 4 2526 1 1 32 GLU O O -2.703 0.822 2.722 1.00 . A A . 32 GLU O 1 1 4 2527 1 1 32 GLU OE1 O -0.408 3.926 5.949 1.00 . A A . 32 GLU OE1 1 1 4 2528 1 1 32 GLU OE2 O -1.244 4.956 4.253 1.00 . A A . 32 GLU OE2 1 1 4 2529 1 1 33 ARG C C -5.224 0.975 4.228 1.00 . A A . 33 ARG C 1 1 4 2530 1 1 33 ARG CA C -4.669 -0.452 4.083 1.00 . A A . 33 ARG CA 1 1 4 2531 1 1 33 ARG CB C -5.403 -1.415 5.031 1.00 . A A . 33 ARG CB 1 1 4 2532 1 1 33 ARG CD C -6.986 0.138 6.238 1.00 . A A . 33 ARG CD 1 1 4 2533 1 1 33 ARG CG C -6.871 -0.995 5.203 1.00 . A A . 33 ARG CG 1 1 4 2534 1 1 33 ARG CZ C -7.338 -0.321 8.615 1.00 . A A . 33 ARG CZ 1 1 4 2535 1 1 33 ARG H H -2.910 -0.954 5.218 1.00 . A A . 33 ARG H 1 1 4 2536 1 1 33 ARG HA H -4.798 -0.780 3.063 1.00 . A A . 33 ARG HA 1 1 4 2537 1 1 33 ARG HB2 H -5.365 -2.412 4.617 1.00 . A A . 33 ARG HB2 1 1 4 2538 1 1 33 ARG HB3 H -4.914 -1.412 5.993 1.00 . A A . 33 ARG HB3 1 1 4 2539 1 1 33 ARG HD2 H -6.006 0.419 6.585 1.00 . A A . 33 ARG HD2 1 1 4 2540 1 1 33 ARG HD3 H -7.457 0.994 5.779 1.00 . A A . 33 ARG HD3 1 1 4 2541 1 1 33 ARG HE H -8.746 -0.602 7.240 1.00 . A A . 33 ARG HE 1 1 4 2542 1 1 33 ARG HG2 H -7.261 -0.656 4.253 1.00 . A A . 33 ARG HG2 1 1 4 2543 1 1 33 ARG HG3 H -7.447 -1.844 5.540 1.00 . A A . 33 ARG HG3 1 1 4 2544 1 1 33 ARG HH11 H -5.506 0.292 8.082 1.00 . A A . 33 ARG HH11 1 1 4 2545 1 1 33 ARG HH12 H -5.739 0.014 9.773 1.00 . A A . 33 ARG HH12 1 1 4 2546 1 1 33 ARG HH21 H -9.053 -0.943 9.444 1.00 . A A . 33 ARG HH21 1 1 4 2547 1 1 33 ARG HH22 H -7.740 -0.681 10.544 1.00 . A A . 33 ARG HH22 1 1 4 2548 1 1 33 ARG N N -3.218 -0.463 4.427 1.00 . A A . 33 ARG N 1 1 4 2549 1 1 33 ARG NE N -7.821 -0.319 7.395 1.00 . A A . 33 ARG NE 1 1 4 2550 1 1 33 ARG NH1 N -6.098 0.023 8.839 1.00 . A A . 33 ARG NH1 1 1 4 2551 1 1 33 ARG NH2 N -8.104 -0.676 9.612 1.00 . A A . 33 ARG NH2 1 1 4 2552 1 1 33 ARG O O -4.807 1.727 5.088 1.00 . A A . 33 ARG O 1 1 4 2553 1 1 34 LYS C C -8.303 2.594 3.607 1.00 . A A . 34 LYS C 1 1 4 2554 1 1 34 LYS CA C -6.782 2.697 3.490 1.00 . A A . 34 LYS CA 1 1 4 2555 1 1 34 LYS CB C -6.445 3.514 2.243 1.00 . A A . 34 LYS CB 1 1 4 2556 1 1 34 LYS CD C -4.698 4.762 1.009 1.00 . A A . 34 LYS CD 1 1 4 2557 1 1 34 LYS CE C -3.242 5.231 1.003 1.00 . A A . 34 LYS CE 1 1 4 2558 1 1 34 LYS CG C -4.996 3.990 2.293 1.00 . A A . 34 LYS CG 1 1 4 2559 1 1 34 LYS H H -6.500 0.726 2.737 1.00 . A A . 34 LYS H 1 1 4 2560 1 1 34 LYS HA H -6.399 3.191 4.344 1.00 . A A . 34 LYS HA 1 1 4 2561 1 1 34 LYS HB2 H -6.584 2.900 1.367 1.00 . A A . 34 LYS HB2 1 1 4 2562 1 1 34 LYS HB3 H -7.097 4.372 2.186 1.00 . A A . 34 LYS HB3 1 1 4 2563 1 1 34 LYS HD2 H -4.881 4.131 0.153 1.00 . A A . 34 LYS HD2 1 1 4 2564 1 1 34 LYS HD3 H -5.348 5.627 0.962 1.00 . A A . 34 LYS HD3 1 1 4 2565 1 1 34 LYS HE2 H -3.202 6.278 1.278 1.00 . A A . 34 LYS HE2 1 1 4 2566 1 1 34 LYS HE3 H -2.661 4.653 1.704 1.00 . A A . 34 LYS HE3 1 1 4 2567 1 1 34 LYS HG2 H -4.848 4.627 3.153 1.00 . A A . 34 LYS HG2 1 1 4 2568 1 1 34 LYS HG3 H -4.337 3.137 2.355 1.00 . A A . 34 LYS HG3 1 1 4 2569 1 1 34 LYS HZ1 H -3.235 5.648 -1.039 1.00 . A A . 34 LYS HZ1 1 1 4 2570 1 1 34 LYS HZ2 H -2.759 4.068 -0.649 1.00 . A A . 34 LYS HZ2 1 1 4 2571 1 1 34 LYS HZ3 H -1.695 5.364 -0.381 1.00 . A A . 34 LYS HZ3 1 1 4 2572 1 1 34 LYS N N -6.175 1.345 3.403 1.00 . A A . 34 LYS N 1 1 4 2573 1 1 34 LYS NZ N -2.690 5.070 -0.370 1.00 . A A . 34 LYS NZ 1 1 4 2574 1 1 34 LYS O O -8.851 2.375 4.670 1.00 . A A . 34 LYS O 1 1 4 2575 1 1 35 TRP C C -10.956 1.589 1.605 1.00 . A A . 35 TRP C 1 1 4 2576 1 1 35 TRP CA C -10.476 2.721 2.512 1.00 . A A . 35 TRP CA 1 1 4 2577 1 1 35 TRP CB C -11.036 4.043 2.000 1.00 . A A . 35 TRP CB 1 1 4 2578 1 1 35 TRP CD1 C -9.823 5.205 3.878 1.00 . A A . 35 TRP CD1 1 1 4 2579 1 1 35 TRP CD2 C -9.792 6.416 1.981 1.00 . A A . 35 TRP CD2 1 1 4 2580 1 1 35 TRP CE2 C -9.087 7.165 2.955 1.00 . A A . 35 TRP CE2 1 1 4 2581 1 1 35 TRP CE3 C -9.915 6.968 0.693 1.00 . A A . 35 TRP CE3 1 1 4 2582 1 1 35 TRP CG C -10.254 5.173 2.599 1.00 . A A . 35 TRP CG 1 1 4 2583 1 1 35 TRP CH2 C -8.658 8.939 1.378 1.00 . A A . 35 TRP CH2 1 1 4 2584 1 1 35 TRP CZ2 C -8.524 8.408 2.662 1.00 . A A . 35 TRP CZ2 1 1 4 2585 1 1 35 TRP CZ3 C -9.349 8.221 0.395 1.00 . A A . 35 TRP CZ3 1 1 4 2586 1 1 35 TRP H H -8.506 2.967 1.679 1.00 . A A . 35 TRP H 1 1 4 2587 1 1 35 TRP HA H -10.832 2.547 3.516 1.00 . A A . 35 TRP HA 1 1 4 2588 1 1 35 TRP HB2 H -10.966 4.064 0.928 1.00 . A A . 35 TRP HB2 1 1 4 2589 1 1 35 TRP HB3 H -12.071 4.128 2.292 1.00 . A A . 35 TRP HB3 1 1 4 2590 1 1 35 TRP HD1 H -9.993 4.435 4.615 1.00 . A A . 35 TRP HD1 1 1 4 2591 1 1 35 TRP HE1 H -8.723 6.651 4.939 1.00 . A A . 35 TRP HE1 1 1 4 2592 1 1 35 TRP HE3 H -10.441 6.424 -0.071 1.00 . A A . 35 TRP HE3 1 1 4 2593 1 1 35 TRP HH2 H -8.224 9.901 1.141 1.00 . A A . 35 TRP HH2 1 1 4 2594 1 1 35 TRP HZ2 H -7.990 8.956 3.424 1.00 . A A . 35 TRP HZ2 1 1 4 2595 1 1 35 TRP HZ3 H -9.451 8.634 -0.599 1.00 . A A . 35 TRP HZ3 1 1 4 2596 1 1 35 TRP N N -8.983 2.777 2.508 1.00 . A A . 35 TRP N 1 1 4 2597 1 1 35 TRP NE1 N -9.134 6.385 4.091 1.00 . A A . 35 TRP NE1 1 1 4 2598 1 1 35 TRP O O -10.251 1.125 0.733 1.00 . A A . 35 TRP O 1 1 4 2599 1 1 36 LYS C C -12.905 0.474 -0.446 1.00 . A A . 36 LYS C 1 1 4 2600 1 1 36 LYS CA C -12.709 0.028 1.002 1.00 . A A . 36 LYS CA 1 1 4 2601 1 1 36 LYS CB C -14.055 -0.427 1.578 1.00 . A A . 36 LYS CB 1 1 4 2602 1 1 36 LYS CD C -15.503 -2.412 2.056 1.00 . A A . 36 LYS CD 1 1 4 2603 1 1 36 LYS CE C -15.402 -3.896 2.430 1.00 . A A . 36 LYS CE 1 1 4 2604 1 1 36 LYS CG C -14.208 -1.939 1.386 1.00 . A A . 36 LYS CG 1 1 4 2605 1 1 36 LYS H H -12.693 1.543 2.535 1.00 . A A . 36 LYS H 1 1 4 2606 1 1 36 LYS HA H -12.014 -0.791 1.020 1.00 . A A . 36 LYS HA 1 1 4 2607 1 1 36 LYS HB2 H -14.086 -0.195 2.633 1.00 . A A . 36 LYS HB2 1 1 4 2608 1 1 36 LYS HB3 H -14.864 0.082 1.074 1.00 . A A . 36 LYS HB3 1 1 4 2609 1 1 36 LYS HD2 H -15.679 -1.831 2.951 1.00 . A A . 36 LYS HD2 1 1 4 2610 1 1 36 LYS HD3 H -16.328 -2.271 1.372 1.00 . A A . 36 LYS HD3 1 1 4 2611 1 1 36 LYS HE2 H -16.334 -4.390 2.198 1.00 . A A . 36 LYS HE2 1 1 4 2612 1 1 36 LYS HE3 H -14.600 -4.364 1.874 1.00 . A A . 36 LYS HE3 1 1 4 2613 1 1 36 LYS HG2 H -14.237 -2.168 0.330 1.00 . A A . 36 LYS HG2 1 1 4 2614 1 1 36 LYS HG3 H -13.366 -2.441 1.841 1.00 . A A . 36 LYS HG3 1 1 4 2615 1 1 36 LYS HZ1 H -15.640 -4.834 4.273 1.00 . A A . 36 LYS HZ1 1 1 4 2616 1 1 36 LYS HZ2 H -15.451 -3.151 4.373 1.00 . A A . 36 LYS HZ2 1 1 4 2617 1 1 36 LYS HZ3 H -14.108 -4.138 4.043 1.00 . A A . 36 LYS HZ3 1 1 4 2618 1 1 36 LYS N N -12.155 1.141 1.824 1.00 . A A . 36 LYS N 1 1 4 2619 1 1 36 LYS NZ N -15.129 -4.014 3.890 1.00 . A A . 36 LYS NZ 1 1 4 2620 1 1 36 LYS O O -13.188 -0.327 -1.318 1.00 . A A . 36 LYS O 1 1 4 2621 1 1 37 TYR C C -11.859 1.651 -2.985 1.00 . A A . 37 TYR C 1 1 4 2622 1 1 37 TYR CA C -12.981 2.205 -2.112 1.00 . A A . 37 TYR CA 1 1 4 2623 1 1 37 TYR CB C -12.964 3.736 -2.160 1.00 . A A . 37 TYR CB 1 1 4 2624 1 1 37 TYR CD1 C -14.658 3.650 -0.278 1.00 . A A . 37 TYR CD1 1 1 4 2625 1 1 37 TYR CD2 C -13.051 5.465 -0.340 1.00 . A A . 37 TYR CD2 1 1 4 2626 1 1 37 TYR CE1 C -15.205 4.177 0.899 1.00 . A A . 37 TYR CE1 1 1 4 2627 1 1 37 TYR CE2 C -13.592 5.987 0.840 1.00 . A A . 37 TYR CE2 1 1 4 2628 1 1 37 TYR CG C -13.580 4.298 -0.900 1.00 . A A . 37 TYR CG 1 1 4 2629 1 1 37 TYR CZ C -14.669 5.344 1.459 1.00 . A A . 37 TYR CZ 1 1 4 2630 1 1 37 TYR H H -12.534 2.405 0.028 1.00 . A A . 37 TYR H 1 1 4 2631 1 1 37 TYR HA H -13.928 1.842 -2.475 1.00 . A A . 37 TYR HA 1 1 4 2632 1 1 37 TYR HB2 H -11.943 4.082 -2.241 1.00 . A A . 37 TYR HB2 1 1 4 2633 1 1 37 TYR HB3 H -13.526 4.078 -3.016 1.00 . A A . 37 TYR HB3 1 1 4 2634 1 1 37 TYR HD1 H -15.073 2.752 -0.710 1.00 . A A . 37 TYR HD1 1 1 4 2635 1 1 37 TYR HD2 H -12.227 5.961 -0.824 1.00 . A A . 37 TYR HD2 1 1 4 2636 1 1 37 TYR HE1 H -16.037 3.680 1.377 1.00 . A A . 37 TYR HE1 1 1 4 2637 1 1 37 TYR HE2 H -13.179 6.889 1.270 1.00 . A A . 37 TYR HE2 1 1 4 2638 1 1 37 TYR HH H -14.501 6.337 3.081 1.00 . A A . 37 TYR HH 1 1 4 2639 1 1 37 TYR N N -12.775 1.736 -0.717 1.00 . A A . 37 TYR N 1 1 4 2640 1 1 37 TYR O O -11.887 1.758 -4.194 1.00 . A A . 37 TYR O 1 1 4 2641 1 1 37 TYR OH O -15.199 5.859 2.625 1.00 . A A . 37 TYR OH 1 1 4 2642 1 1 38 LEU C C -10.302 -0.612 -4.068 1.00 . A A . 38 LEU C 1 1 4 2643 1 1 38 LEU CA C -9.753 0.486 -3.156 1.00 . A A . 38 LEU CA 1 1 4 2644 1 1 38 LEU CB C -8.674 -0.056 -2.206 1.00 . A A . 38 LEU CB 1 1 4 2645 1 1 38 LEU CD1 C -7.020 0.335 -4.066 1.00 . A A . 38 LEU CD1 1 1 4 2646 1 1 38 LEU CD2 C -6.347 -0.930 -2.030 1.00 . A A . 38 LEU CD2 1 1 4 2647 1 1 38 LEU CG C -7.504 -0.654 -2.999 1.00 . A A . 38 LEU CG 1 1 4 2648 1 1 38 LEU H H -10.878 0.976 -1.407 1.00 . A A . 38 LEU H 1 1 4 2649 1 1 38 LEU HA H -9.340 1.274 -3.754 1.00 . A A . 38 LEU HA 1 1 4 2650 1 1 38 LEU HB2 H -8.310 0.746 -1.581 1.00 . A A . 38 LEU HB2 1 1 4 2651 1 1 38 LEU HB3 H -9.105 -0.825 -1.581 1.00 . A A . 38 LEU HB3 1 1 4 2652 1 1 38 LEU HD11 H -6.846 1.301 -3.616 1.00 . A A . 38 LEU HD11 1 1 4 2653 1 1 38 LEU HD12 H -7.770 0.427 -4.838 1.00 . A A . 38 LEU HD12 1 1 4 2654 1 1 38 LEU HD13 H -6.105 -0.029 -4.505 1.00 . A A . 38 LEU HD13 1 1 4 2655 1 1 38 LEU HD21 H -6.640 -1.694 -1.327 1.00 . A A . 38 LEU HD21 1 1 4 2656 1 1 38 LEU HD22 H -6.103 -0.024 -1.494 1.00 . A A . 38 LEU HD22 1 1 4 2657 1 1 38 LEU HD23 H -5.479 -1.263 -2.584 1.00 . A A . 38 LEU HD23 1 1 4 2658 1 1 38 LEU HG H -7.812 -1.575 -3.469 1.00 . A A . 38 LEU HG 1 1 4 2659 1 1 38 LEU N N -10.875 1.053 -2.375 1.00 . A A . 38 LEU N 1 1 4 2660 1 1 38 LEU O O -9.857 -0.785 -5.186 1.00 . A A . 38 LEU O 1 1 4 2661 1 1 39 PHE C C -12.295 -1.832 -5.788 1.00 . A A . 39 PHE C 1 1 4 2662 1 1 39 PHE CA C -11.915 -2.418 -4.419 1.00 . A A . 39 PHE CA 1 1 4 2663 1 1 39 PHE CB C -13.180 -2.917 -3.687 1.00 . A A . 39 PHE CB 1 1 4 2664 1 1 39 PHE CD1 C -12.008 -5.013 -2.897 1.00 . A A . 39 PHE CD1 1 1 4 2665 1 1 39 PHE CD2 C -14.194 -5.222 -3.926 1.00 . A A . 39 PHE CD2 1 1 4 2666 1 1 39 PHE CE1 C -11.957 -6.401 -2.722 1.00 . A A . 39 PHE CE1 1 1 4 2667 1 1 39 PHE CE2 C -14.142 -6.611 -3.752 1.00 . A A . 39 PHE CE2 1 1 4 2668 1 1 39 PHE CG C -13.126 -4.421 -3.499 1.00 . A A . 39 PHE CG 1 1 4 2669 1 1 39 PHE CZ C -13.024 -7.201 -3.151 1.00 . A A . 39 PHE CZ 1 1 4 2670 1 1 39 PHE H H -11.627 -1.160 -2.696 1.00 . A A . 39 PHE H 1 1 4 2671 1 1 39 PHE HA H -11.217 -3.231 -4.553 1.00 . A A . 39 PHE HA 1 1 4 2672 1 1 39 PHE HB2 H -13.241 -2.441 -2.720 1.00 . A A . 39 PHE HB2 1 1 4 2673 1 1 39 PHE HB3 H -14.057 -2.660 -4.265 1.00 . A A . 39 PHE HB3 1 1 4 2674 1 1 39 PHE HD1 H -11.185 -4.399 -2.563 1.00 . A A . 39 PHE HD1 1 1 4 2675 1 1 39 PHE HD2 H -15.059 -4.769 -4.388 1.00 . A A . 39 PHE HD2 1 1 4 2676 1 1 39 PHE HE1 H -11.094 -6.857 -2.260 1.00 . A A . 39 PHE HE1 1 1 4 2677 1 1 39 PHE HE2 H -14.965 -7.228 -4.082 1.00 . A A . 39 PHE HE2 1 1 4 2678 1 1 39 PHE HZ H -12.984 -8.272 -3.017 1.00 . A A . 39 PHE HZ 1 1 4 2679 1 1 39 PHE N N -11.287 -1.339 -3.595 1.00 . A A . 39 PHE N 1 1 4 2680 1 1 39 PHE O O -11.828 -0.777 -6.158 1.00 . A A . 39 PHE O 1 1 4 2681 1 1 40 THR C C -12.528 -2.443 -8.945 1.00 . A A . 40 THR C 1 1 4 2682 1 1 40 THR CA C -13.536 -1.978 -7.888 1.00 . A A . 40 THR CA 1 1 4 2683 1 1 40 THR CB C -13.594 -0.440 -7.871 1.00 . A A . 40 THR CB 1 1 4 2684 1 1 40 THR CG2 C -14.475 0.059 -9.021 1.00 . A A . 40 THR CG2 1 1 4 2685 1 1 40 THR H H -13.500 -3.353 -6.223 1.00 . A A . 40 THR H 1 1 4 2686 1 1 40 THR HA H -14.513 -2.366 -8.138 1.00 . A A . 40 THR HA 1 1 4 2687 1 1 40 THR HB H -12.599 -0.041 -7.993 1.00 . A A . 40 THR HB 1 1 4 2688 1 1 40 THR HG1 H -14.199 -0.757 -6.045 1.00 . A A . 40 THR HG1 1 1 4 2689 1 1 40 THR HG21 H -14.378 -0.606 -9.866 1.00 . A A . 40 THR HG21 1 1 4 2690 1 1 40 THR HG22 H -14.162 1.053 -9.308 1.00 . A A . 40 THR HG22 1 1 4 2691 1 1 40 THR HG23 H -15.505 0.085 -8.700 1.00 . A A . 40 THR HG23 1 1 4 2692 1 1 40 THR N N -13.134 -2.503 -6.541 1.00 . A A . 40 THR N 1 1 4 2693 1 1 40 THR O O -12.360 -1.816 -9.973 1.00 . A A . 40 THR O 1 1 4 2694 1 1 40 THR OG1 O -14.133 0.010 -6.630 1.00 . A A . 40 THR OG1 1 1 4 2695 1 1 41 GLY C C -9.447 -3.789 -9.221 1.00 . A A . 41 GLY C 1 1 4 2696 1 1 41 GLY CA C -10.875 -4.061 -9.702 1.00 . A A . 41 GLY CA 1 1 4 2697 1 1 41 GLY H H -12.021 -4.040 -7.875 1.00 . A A . 41 GLY H 1 1 4 2698 1 1 41 GLY HA2 H -11.014 -5.126 -9.822 1.00 . A A . 41 GLY HA2 1 1 4 2699 1 1 41 GLY HA3 H -11.027 -3.572 -10.654 1.00 . A A . 41 GLY HA3 1 1 4 2700 1 1 41 GLY N N -11.865 -3.546 -8.706 1.00 . A A . 41 GLY N 1 1 4 2701 1 1 41 GLY O O -8.488 -4.148 -9.876 1.00 . A A . 41 GLY O 1 1 4 2702 1 1 42 GLU C C -7.787 -3.407 -6.135 1.00 . A A . 42 GLU C 1 1 4 2703 1 1 42 GLU CA C -7.919 -2.880 -7.566 1.00 . A A . 42 GLU CA 1 1 4 2704 1 1 42 GLU CB C -7.670 -1.367 -7.569 1.00 . A A . 42 GLU CB 1 1 4 2705 1 1 42 GLU CD C -5.326 -1.959 -6.884 1.00 . A A . 42 GLU CD 1 1 4 2706 1 1 42 GLU CG C -6.180 -1.079 -7.804 1.00 . A A . 42 GLU CG 1 1 4 2707 1 1 42 GLU H H -10.078 -2.886 -7.566 1.00 . A A . 42 GLU H 1 1 4 2708 1 1 42 GLU HA H -7.188 -3.367 -8.193 1.00 . A A . 42 GLU HA 1 1 4 2709 1 1 42 GLU HB2 H -8.250 -0.910 -8.357 1.00 . A A . 42 GLU HB2 1 1 4 2710 1 1 42 GLU HB3 H -7.968 -0.950 -6.620 1.00 . A A . 42 GLU HB3 1 1 4 2711 1 1 42 GLU HG2 H -5.931 -1.288 -8.834 1.00 . A A . 42 GLU HG2 1 1 4 2712 1 1 42 GLU HG3 H -5.978 -0.040 -7.589 1.00 . A A . 42 GLU HG3 1 1 4 2713 1 1 42 GLU N N -9.293 -3.164 -8.082 1.00 . A A . 42 GLU N 1 1 4 2714 1 1 42 GLU O O -8.500 -2.993 -5.243 1.00 . A A . 42 GLU O 1 1 4 2715 1 1 42 GLU OE1 O -5.157 -3.126 -7.200 1.00 . A A . 42 GLU OE1 1 1 4 2716 1 1 42 GLU OE2 O -4.854 -1.450 -5.881 1.00 . A A . 42 GLU OE2 1 1 4 2717 1 1 43 CYS C C -5.934 -3.798 -3.697 1.00 . A A . 43 CYS C 1 1 4 2718 1 1 43 CYS CA C -6.689 -4.838 -4.529 1.00 . A A . 43 CYS CA 1 1 4 2719 1 1 43 CYS CB C -5.889 -6.148 -4.583 1.00 . A A . 43 CYS CB 1 1 4 2720 1 1 43 CYS H H -6.296 -4.621 -6.634 1.00 . A A . 43 CYS H 1 1 4 2721 1 1 43 CYS HXT H -5.298 -2.456 -4.786 1.00 . A A . 43 CYS HXT 1 1 4 2722 1 1 43 CYS HA H -7.656 -5.019 -4.083 1.00 . A A . 43 CYS HA 1 1 4 2723 1 1 43 CYS HB2 H -5.593 -6.345 -5.600 1.00 . A A . 43 CYS HB2 1 1 4 2724 1 1 43 CYS HB3 H -5.007 -6.061 -3.969 1.00 . A A . 43 CYS HB3 1 1 4 2725 1 1 43 CYS N N -6.872 -4.306 -5.906 1.00 . A A . 43 CYS N 1 1 4 2726 1 1 43 CYS O O -6.331 -3.572 -2.568 1.00 . A A . 43 CYS O 1 1 4 2727 1 1 43 CYS OXT O -4.974 -3.245 -4.208 1.00 . A A . 43 CYS OXT 1 1 4 2728 1 1 43 CYS SG S -6.912 -7.519 -3.984 1.00 . A A . 43 CYS SG 1 1 5 2729 1 1 1 CYS C C 3.929 -8.244 0.333 1.00 . A A . 1 CYS C 1 1 5 2730 1 1 1 CYS CA C 3.799 -9.101 -0.924 1.00 . A A . 1 CYS CA 1 1 5 2731 1 1 1 CYS CB C 2.313 -9.352 -1.200 1.00 . A A . 1 CYS CB 1 1 5 2732 1 1 1 CYS H1 H 5.492 -10.235 -0.519 1.00 . A A . 1 CYS H1 1 1 5 2733 1 1 1 CYS H2 H 4.070 -10.887 0.099 1.00 . A A . 1 CYS H2 1 1 5 2734 1 1 1 CYS H3 H 4.396 -10.989 -1.547 1.00 . A A . 1 CYS H3 1 1 5 2735 1 1 1 CYS HA H 4.244 -8.588 -1.762 1.00 . A A . 1 CYS HA 1 1 5 2736 1 1 1 CYS HB2 H 1.812 -8.408 -1.345 1.00 . A A . 1 CYS HB2 1 1 5 2737 1 1 1 CYS HB3 H 2.208 -9.954 -2.092 1.00 . A A . 1 CYS HB3 1 1 5 2738 1 1 1 CYS N N 4.493 -10.403 -0.706 1.00 . A A . 1 CYS N 1 1 5 2739 1 1 1 CYS O O 3.863 -8.745 1.438 1.00 . A A . 1 CYS O 1 1 5 2740 1 1 1 CYS SG S 1.569 -10.222 0.207 1.00 . A A . 1 CYS SG 1 1 5 2741 1 1 2 GLY C C 2.886 -6.214 2.174 1.00 . A A . 2 GLY C 1 1 5 2742 1 1 2 GLY CA C 4.203 -6.116 1.410 1.00 . A A . 2 GLY CA 1 1 5 2743 1 1 2 GLY H H 4.145 -6.544 -0.703 1.00 . A A . 2 GLY H 1 1 5 2744 1 1 2 GLY HA2 H 5.014 -6.473 2.029 1.00 . A A . 2 GLY HA2 1 1 5 2745 1 1 2 GLY HA3 H 4.379 -5.093 1.133 1.00 . A A . 2 GLY HA3 1 1 5 2746 1 1 2 GLY N N 4.097 -6.956 0.192 1.00 . A A . 2 GLY N 1 1 5 2747 1 1 2 GLY O O 1.835 -5.874 1.667 1.00 . A A . 2 GLY O 1 1 5 2748 1 1 3 SER C C 1.542 -5.576 5.081 1.00 . A A . 3 SER C 1 1 5 2749 1 1 3 SER CA C 1.679 -6.804 4.188 1.00 . A A . 3 SER CA 1 1 5 2750 1 1 3 SER CB C 1.753 -8.065 5.052 1.00 . A A . 3 SER CB 1 1 5 2751 1 1 3 SER H H 3.787 -6.950 3.779 1.00 . A A . 3 SER H 1 1 5 2752 1 1 3 SER HA H 0.827 -6.867 3.529 1.00 . A A . 3 SER HA 1 1 5 2753 1 1 3 SER HB2 H 1.590 -8.935 4.437 1.00 . A A . 3 SER HB2 1 1 5 2754 1 1 3 SER HB3 H 2.732 -8.129 5.508 1.00 . A A . 3 SER HB3 1 1 5 2755 1 1 3 SER HG H 1.071 -7.447 6.767 1.00 . A A . 3 SER HG 1 1 5 2756 1 1 3 SER N N 2.929 -6.678 3.390 1.00 . A A . 3 SER N 1 1 5 2757 1 1 3 SER O O 2.194 -4.573 4.864 1.00 . A A . 3 SER O 1 1 5 2758 1 1 3 SER OG O 0.750 -8.008 6.057 1.00 . A A . 3 SER OG 1 1 5 2759 1 1 4 LYS C C 1.941 -3.919 7.320 1.00 . A A . 4 LYS C 1 1 5 2760 1 1 4 LYS CA C 0.552 -4.455 6.973 1.00 . A A . 4 LYS CA 1 1 5 2761 1 1 4 LYS CB C -0.162 -4.880 8.264 1.00 . A A . 4 LYS CB 1 1 5 2762 1 1 4 LYS CD C -0.777 -3.836 10.464 1.00 . A A . 4 LYS CD 1 1 5 2763 1 1 4 LYS CE C -1.255 -2.546 11.135 1.00 . A A . 4 LYS CE 1 1 5 2764 1 1 4 LYS CG C -0.791 -3.654 8.942 1.00 . A A . 4 LYS CG 1 1 5 2765 1 1 4 LYS H H 0.187 -6.451 6.242 1.00 . A A . 4 LYS H 1 1 5 2766 1 1 4 LYS HA H -0.018 -3.688 6.470 1.00 . A A . 4 LYS HA 1 1 5 2767 1 1 4 LYS HB2 H -0.939 -5.595 8.021 1.00 . A A . 4 LYS HB2 1 1 5 2768 1 1 4 LYS HB3 H 0.549 -5.341 8.933 1.00 . A A . 4 LYS HB3 1 1 5 2769 1 1 4 LYS HD2 H -1.431 -4.651 10.737 1.00 . A A . 4 LYS HD2 1 1 5 2770 1 1 4 LYS HD3 H 0.227 -4.056 10.791 1.00 . A A . 4 LYS HD3 1 1 5 2771 1 1 4 LYS HE2 H -1.181 -2.649 12.207 1.00 . A A . 4 LYS HE2 1 1 5 2772 1 1 4 LYS HE3 H -0.640 -1.721 10.808 1.00 . A A . 4 LYS HE3 1 1 5 2773 1 1 4 LYS HG2 H -0.234 -2.769 8.680 1.00 . A A . 4 LYS HG2 1 1 5 2774 1 1 4 LYS HG3 H -1.812 -3.546 8.609 1.00 . A A . 4 LYS HG3 1 1 5 2775 1 1 4 LYS HZ1 H -2.910 -1.295 10.958 1.00 . A A . 4 LYS HZ1 1 1 5 2776 1 1 4 LYS HZ2 H -3.299 -2.907 11.312 1.00 . A A . 4 LYS HZ2 1 1 5 2777 1 1 4 LYS HZ3 H -2.804 -2.478 9.744 1.00 . A A . 4 LYS HZ3 1 1 5 2778 1 1 4 LYS N N 0.708 -5.636 6.082 1.00 . A A . 4 LYS N 1 1 5 2779 1 1 4 LYS NZ N -2.675 -2.287 10.759 1.00 . A A . 4 LYS NZ 1 1 5 2780 1 1 4 LYS O O 2.772 -4.629 7.852 1.00 . A A . 4 LYS O 1 1 5 2781 1 1 5 ARG C C 4.604 -2.995 6.622 1.00 . A A . 5 ARG C 1 1 5 2782 1 1 5 ARG CA C 3.549 -2.118 7.303 1.00 . A A . 5 ARG CA 1 1 5 2783 1 1 5 ARG CB C 3.787 -2.118 8.821 1.00 . A A . 5 ARG CB 1 1 5 2784 1 1 5 ARG CD C 2.656 0.059 9.385 1.00 . A A . 5 ARG CD 1 1 5 2785 1 1 5 ARG CG C 2.605 -1.463 9.546 1.00 . A A . 5 ARG CG 1 1 5 2786 1 1 5 ARG CZ C 0.674 1.486 9.513 1.00 . A A . 5 ARG CZ 1 1 5 2787 1 1 5 ARG H H 1.534 -2.129 6.560 1.00 . A A . 5 ARG H 1 1 5 2788 1 1 5 ARG HA H 3.615 -1.109 6.922 1.00 . A A . 5 ARG HA 1 1 5 2789 1 1 5 ARG HB2 H 3.898 -3.137 9.165 1.00 . A A . 5 ARG HB2 1 1 5 2790 1 1 5 ARG HB3 H 4.690 -1.567 9.042 1.00 . A A . 5 ARG HB3 1 1 5 2791 1 1 5 ARG HD2 H 3.583 0.432 9.795 1.00 . A A . 5 ARG HD2 1 1 5 2792 1 1 5 ARG HD3 H 2.598 0.311 8.339 1.00 . A A . 5 ARG HD3 1 1 5 2793 1 1 5 ARG HE H 1.353 0.441 11.060 1.00 . A A . 5 ARG HE 1 1 5 2794 1 1 5 ARG HG2 H 1.682 -1.834 9.132 1.00 . A A . 5 ARG HG2 1 1 5 2795 1 1 5 ARG HG3 H 2.649 -1.711 10.596 1.00 . A A . 5 ARG HG3 1 1 5 2796 1 1 5 ARG HH11 H 1.657 1.471 7.768 1.00 . A A . 5 ARG HH11 1 1 5 2797 1 1 5 ARG HH12 H 0.235 2.454 7.817 1.00 . A A . 5 ARG HH12 1 1 5 2798 1 1 5 ARG HH21 H -0.499 1.717 11.118 1.00 . A A . 5 ARG HH21 1 1 5 2799 1 1 5 ARG HH22 H -0.982 2.595 9.704 1.00 . A A . 5 ARG HH22 1 1 5 2800 1 1 5 ARG N N 2.207 -2.681 7.006 1.00 . A A . 5 ARG N 1 1 5 2801 1 1 5 ARG NE N 1.504 0.670 10.120 1.00 . A A . 5 ARG NE 1 1 5 2802 1 1 5 ARG NH1 N 0.872 1.830 8.269 1.00 . A A . 5 ARG NH1 1 1 5 2803 1 1 5 ARG NH2 N -0.348 1.971 10.163 1.00 . A A . 5 ARG NH2 1 1 5 2804 1 1 5 ARG O O 5.128 -3.917 7.215 1.00 . A A . 5 ARG O 1 1 5 2805 1 1 6 ALA C C 6.221 -2.991 3.264 1.00 . A A . 6 ALA C 1 1 5 2806 1 1 6 ALA CA C 5.928 -3.560 4.663 1.00 . A A . 6 ALA CA 1 1 5 2807 1 1 6 ALA CB C 5.396 -4.987 4.518 1.00 . A A . 6 ALA CB 1 1 5 2808 1 1 6 ALA H H 4.464 -1.980 4.918 1.00 . A A . 6 ALA H 1 1 5 2809 1 1 6 ALA HA H 6.842 -3.579 5.237 1.00 . A A . 6 ALA HA 1 1 5 2810 1 1 6 ALA HB1 H 4.570 -4.994 3.824 1.00 . A A . 6 ALA HB1 1 1 5 2811 1 1 6 ALA HB2 H 5.061 -5.349 5.478 1.00 . A A . 6 ALA HB2 1 1 5 2812 1 1 6 ALA HB3 H 6.181 -5.630 4.148 1.00 . A A . 6 ALA HB3 1 1 5 2813 1 1 6 ALA N N 4.912 -2.722 5.378 1.00 . A A . 6 ALA N 1 1 5 2814 1 1 6 ALA O O 5.401 -2.332 2.657 1.00 . A A . 6 ALA O 1 1 5 2815 1 1 7 TRP C C 6.844 -3.100 0.323 1.00 . A A . 7 TRP C 1 1 5 2816 1 1 7 TRP CA C 7.835 -2.720 1.431 1.00 . A A . 7 TRP CA 1 1 5 2817 1 1 7 TRP CB C 9.212 -3.288 1.081 1.00 . A A . 7 TRP CB 1 1 5 2818 1 1 7 TRP CD1 C 9.429 -1.775 -0.933 1.00 . A A . 7 TRP CD1 1 1 5 2819 1 1 7 TRP CD2 C 9.951 -3.912 -1.398 1.00 . A A . 7 TRP CD2 1 1 5 2820 1 1 7 TRP CE2 C 10.110 -3.183 -2.600 1.00 . A A . 7 TRP CE2 1 1 5 2821 1 1 7 TRP CE3 C 10.219 -5.292 -1.418 1.00 . A A . 7 TRP CE3 1 1 5 2822 1 1 7 TRP CG C 9.517 -2.993 -0.354 1.00 . A A . 7 TRP CG 1 1 5 2823 1 1 7 TRP CH2 C 10.783 -5.174 -3.785 1.00 . A A . 7 TRP CH2 1 1 5 2824 1 1 7 TRP CZ2 C 10.520 -3.801 -3.782 1.00 . A A . 7 TRP CZ2 1 1 5 2825 1 1 7 TRP CZ3 C 10.633 -5.918 -2.606 1.00 . A A . 7 TRP CZ3 1 1 5 2826 1 1 7 TRP H H 8.049 -3.764 3.301 1.00 . A A . 7 TRP H 1 1 5 2827 1 1 7 TRP HA H 7.909 -1.648 1.481 1.00 . A A . 7 TRP HA 1 1 5 2828 1 1 7 TRP HB2 H 9.963 -2.835 1.709 1.00 . A A . 7 TRP HB2 1 1 5 2829 1 1 7 TRP HB3 H 9.211 -4.358 1.235 1.00 . A A . 7 TRP HB3 1 1 5 2830 1 1 7 TRP HD1 H 9.129 -0.864 -0.435 1.00 . A A . 7 TRP HD1 1 1 5 2831 1 1 7 TRP HE1 H 9.798 -1.147 -2.909 1.00 . A A . 7 TRP HE1 1 1 5 2832 1 1 7 TRP HE3 H 10.107 -5.874 -0.515 1.00 . A A . 7 TRP HE3 1 1 5 2833 1 1 7 TRP HH2 H 11.101 -5.661 -4.695 1.00 . A A . 7 TRP HH2 1 1 5 2834 1 1 7 TRP HZ2 H 10.634 -3.224 -4.686 1.00 . A A . 7 TRP HZ2 1 1 5 2835 1 1 7 TRP HZ3 H 10.836 -6.978 -2.609 1.00 . A A . 7 TRP HZ3 1 1 5 2836 1 1 7 TRP N N 7.413 -3.241 2.772 1.00 . A A . 7 TRP N 1 1 5 2837 1 1 7 TRP NE1 N 9.778 -1.886 -2.265 1.00 . A A . 7 TRP NE1 1 1 5 2838 1 1 7 TRP O O 6.145 -4.086 0.400 1.00 . A A . 7 TRP O 1 1 5 2839 1 1 8 CYS C C 6.707 -2.450 -3.180 1.00 . A A . 8 CYS C 1 1 5 2840 1 1 8 CYS CA C 5.902 -2.574 -1.877 1.00 . A A . 8 CYS CA 1 1 5 2841 1 1 8 CYS CB C 4.794 -1.511 -1.884 1.00 . A A . 8 CYS CB 1 1 5 2842 1 1 8 CYS H H 7.402 -1.527 -0.748 1.00 . A A . 8 CYS H 1 1 5 2843 1 1 8 CYS HA H 5.466 -3.569 -1.795 1.00 . A A . 8 CYS HA 1 1 5 2844 1 1 8 CYS HB2 H 3.939 -1.885 -1.366 1.00 . A A . 8 CYS HB2 1 1 5 2845 1 1 8 CYS HB3 H 5.149 -0.620 -1.388 1.00 . A A . 8 CYS HB3 1 1 5 2846 1 1 8 CYS N N 6.810 -2.307 -0.720 1.00 . A A . 8 CYS N 1 1 5 2847 1 1 8 CYS O O 7.461 -1.514 -3.352 1.00 . A A . 8 CYS O 1 1 5 2848 1 1 8 CYS SG S 4.332 -1.097 -3.585 1.00 . A A . 8 CYS SG 1 1 5 2849 1 1 9 LYS C C 6.442 -2.345 -6.336 1.00 . A A . 9 LYS C 1 1 5 2850 1 1 9 LYS CA C 7.290 -3.212 -5.399 1.00 . A A . 9 LYS CA 1 1 5 2851 1 1 9 LYS CB C 7.509 -4.589 -6.049 1.00 . A A . 9 LYS CB 1 1 5 2852 1 1 9 LYS CD C 8.531 -5.163 -8.293 1.00 . A A . 9 LYS CD 1 1 5 2853 1 1 9 LYS CE C 8.204 -6.655 -8.190 1.00 . A A . 9 LYS CE 1 1 5 2854 1 1 9 LYS CG C 8.797 -4.569 -6.902 1.00 . A A . 9 LYS CG 1 1 5 2855 1 1 9 LYS H H 5.912 -4.093 -3.983 1.00 . A A . 9 LYS H 1 1 5 2856 1 1 9 LYS HA H 8.240 -2.731 -5.213 1.00 . A A . 9 LYS HA 1 1 5 2857 1 1 9 LYS HB2 H 7.602 -5.337 -5.273 1.00 . A A . 9 LYS HB2 1 1 5 2858 1 1 9 LYS HB3 H 6.663 -4.828 -6.677 1.00 . A A . 9 LYS HB3 1 1 5 2859 1 1 9 LYS HD2 H 7.702 -4.649 -8.749 1.00 . A A . 9 LYS HD2 1 1 5 2860 1 1 9 LYS HD3 H 9.410 -5.034 -8.908 1.00 . A A . 9 LYS HD3 1 1 5 2861 1 1 9 LYS HE2 H 9.122 -7.223 -8.134 1.00 . A A . 9 LYS HE2 1 1 5 2862 1 1 9 LYS HE3 H 7.611 -6.840 -7.308 1.00 . A A . 9 LYS HE3 1 1 5 2863 1 1 9 LYS HG2 H 9.146 -3.553 -7.015 1.00 . A A . 9 LYS HG2 1 1 5 2864 1 1 9 LYS HG3 H 9.560 -5.154 -6.409 1.00 . A A . 9 LYS HG3 1 1 5 2865 1 1 9 LYS HZ1 H 7.840 -7.946 -9.786 1.00 . A A . 9 LYS HZ1 1 1 5 2866 1 1 9 LYS HZ2 H 7.499 -6.317 -10.120 1.00 . A A . 9 LYS HZ2 1 1 5 2867 1 1 9 LYS HZ3 H 6.442 -7.222 -9.146 1.00 . A A . 9 LYS HZ3 1 1 5 2868 1 1 9 LYS N N 6.541 -3.352 -4.114 1.00 . A A . 9 LYS N 1 1 5 2869 1 1 9 LYS NZ N 7.439 -7.067 -9.401 1.00 . A A . 9 LYS NZ 1 1 5 2870 1 1 9 LYS O O 6.918 -1.406 -6.945 1.00 . A A . 9 LYS O 1 1 5 2871 1 1 10 GLU C C 2.917 -1.766 -6.536 1.00 . A A . 10 GLU C 1 1 5 2872 1 1 10 GLU CA C 4.241 -1.874 -7.277 1.00 . A A . 10 GLU CA 1 1 5 2873 1 1 10 GLU CB C 4.014 -2.583 -8.610 1.00 . A A . 10 GLU CB 1 1 5 2874 1 1 10 GLU CD C 5.099 -3.363 -10.720 1.00 . A A . 10 GLU CD 1 1 5 2875 1 1 10 GLU CG C 5.317 -2.605 -9.407 1.00 . A A . 10 GLU CG 1 1 5 2876 1 1 10 GLU H H 4.834 -3.406 -5.902 1.00 . A A . 10 GLU H 1 1 5 2877 1 1 10 GLU HA H 4.636 -0.883 -7.449 1.00 . A A . 10 GLU HA 1 1 5 2878 1 1 10 GLU HB2 H 3.680 -3.592 -8.427 1.00 . A A . 10 GLU HB2 1 1 5 2879 1 1 10 GLU HB3 H 3.260 -2.055 -9.175 1.00 . A A . 10 GLU HB3 1 1 5 2880 1 1 10 GLU HG2 H 5.626 -1.592 -9.618 1.00 . A A . 10 GLU HG2 1 1 5 2881 1 1 10 GLU HG3 H 6.080 -3.101 -8.828 1.00 . A A . 10 GLU HG3 1 1 5 2882 1 1 10 GLU N N 5.178 -2.656 -6.423 1.00 . A A . 10 GLU N 1 1 5 2883 1 1 10 GLU O O 2.764 -2.297 -5.458 1.00 . A A . 10 GLU O 1 1 5 2884 1 1 10 GLU OE1 O 3.974 -3.769 -10.965 1.00 . A A . 10 GLU OE1 1 1 5 2885 1 1 10 GLU OE2 O 6.058 -3.520 -11.457 1.00 . A A . 10 GLU OE2 1 1 5 2886 1 1 11 LYS C C 0.067 -2.335 -6.124 1.00 . A A . 11 LYS C 1 1 5 2887 1 1 11 LYS CA C 0.657 -0.945 -6.397 1.00 . A A . 11 LYS CA 1 1 5 2888 1 1 11 LYS CB C -0.292 -0.130 -7.276 1.00 . A A . 11 LYS CB 1 1 5 2889 1 1 11 LYS CD C -2.418 1.171 -7.322 1.00 . A A . 11 LYS CD 1 1 5 2890 1 1 11 LYS CE C -3.662 1.588 -6.527 1.00 . A A . 11 LYS CE 1 1 5 2891 1 1 11 LYS CG C -1.562 0.208 -6.494 1.00 . A A . 11 LYS CG 1 1 5 2892 1 1 11 LYS H H 2.106 -0.670 -7.969 1.00 . A A . 11 LYS H 1 1 5 2893 1 1 11 LYS HA H 0.811 -0.429 -5.463 1.00 . A A . 11 LYS HA 1 1 5 2894 1 1 11 LYS HB2 H 0.196 0.785 -7.580 1.00 . A A . 11 LYS HB2 1 1 5 2895 1 1 11 LYS HB3 H -0.554 -0.705 -8.152 1.00 . A A . 11 LYS HB3 1 1 5 2896 1 1 11 LYS HD2 H -1.835 2.050 -7.561 1.00 . A A . 11 LYS HD2 1 1 5 2897 1 1 11 LYS HD3 H -2.722 0.684 -8.236 1.00 . A A . 11 LYS HD3 1 1 5 2898 1 1 11 LYS HE2 H -4.548 1.183 -6.998 1.00 . A A . 11 LYS HE2 1 1 5 2899 1 1 11 LYS HE3 H -3.592 1.219 -5.514 1.00 . A A . 11 LYS HE3 1 1 5 2900 1 1 11 LYS HG2 H -2.120 -0.697 -6.301 1.00 . A A . 11 LYS HG2 1 1 5 2901 1 1 11 LYS HG3 H -1.298 0.676 -5.559 1.00 . A A . 11 LYS HG3 1 1 5 2902 1 1 11 LYS HZ1 H -2.978 3.463 -5.928 1.00 . A A . 11 LYS HZ1 1 1 5 2903 1 1 11 LYS HZ2 H -4.663 3.367 -6.101 1.00 . A A . 11 LYS HZ2 1 1 5 2904 1 1 11 LYS HZ3 H -3.672 3.443 -7.480 1.00 . A A . 11 LYS HZ3 1 1 5 2905 1 1 11 LYS N N 1.963 -1.090 -7.097 1.00 . A A . 11 LYS N 1 1 5 2906 1 1 11 LYS NZ N -3.751 3.078 -6.508 1.00 . A A . 11 LYS NZ 1 1 5 2907 1 1 11 LYS O O -0.389 -2.622 -5.035 1.00 . A A . 11 LYS O 1 1 5 2908 1 1 12 LYS C C 0.464 -5.391 -5.978 1.00 . A A . 12 LYS C 1 1 5 2909 1 1 12 LYS CA C -0.464 -4.576 -6.894 1.00 . A A . 12 LYS CA 1 1 5 2910 1 1 12 LYS CB C -0.578 -5.292 -8.244 1.00 . A A . 12 LYS CB 1 1 5 2911 1 1 12 LYS CD C -0.996 -7.691 -8.930 1.00 . A A . 12 LYS CD 1 1 5 2912 1 1 12 LYS CE C -1.357 -7.519 -10.408 1.00 . A A . 12 LYS CE 1 1 5 2913 1 1 12 LYS CG C -1.527 -6.500 -8.116 1.00 . A A . 12 LYS CG 1 1 5 2914 1 1 12 LYS H H 0.463 -2.952 -7.968 1.00 . A A . 12 LYS H 1 1 5 2915 1 1 12 LYS HA H -1.444 -4.509 -6.441 1.00 . A A . 12 LYS HA 1 1 5 2916 1 1 12 LYS HB2 H -0.970 -4.603 -8.980 1.00 . A A . 12 LYS HB2 1 1 5 2917 1 1 12 LYS HB3 H 0.400 -5.628 -8.554 1.00 . A A . 12 LYS HB3 1 1 5 2918 1 1 12 LYS HD2 H 0.077 -7.752 -8.826 1.00 . A A . 12 LYS HD2 1 1 5 2919 1 1 12 LYS HD3 H -1.442 -8.603 -8.561 1.00 . A A . 12 LYS HD3 1 1 5 2920 1 1 12 LYS HE2 H -0.698 -8.127 -11.011 1.00 . A A . 12 LYS HE2 1 1 5 2921 1 1 12 LYS HE3 H -2.379 -7.832 -10.569 1.00 . A A . 12 LYS HE3 1 1 5 2922 1 1 12 LYS HG2 H -1.605 -6.788 -7.078 1.00 . A A . 12 LYS HG2 1 1 5 2923 1 1 12 LYS HG3 H -2.506 -6.229 -8.482 1.00 . A A . 12 LYS HG3 1 1 5 2924 1 1 12 LYS HZ1 H -1.868 -5.508 -10.250 1.00 . A A . 12 LYS HZ1 1 1 5 2925 1 1 12 LYS HZ2 H -1.418 -5.985 -11.813 1.00 . A A . 12 LYS HZ2 1 1 5 2926 1 1 12 LYS HZ3 H -0.231 -5.781 -10.615 1.00 . A A . 12 LYS HZ3 1 1 5 2927 1 1 12 LYS N N 0.082 -3.200 -7.099 1.00 . A A . 12 LYS N 1 1 5 2928 1 1 12 LYS NZ N -1.207 -6.091 -10.800 1.00 . A A . 12 LYS NZ 1 1 5 2929 1 1 12 LYS O O 0.027 -6.244 -5.231 1.00 . A A . 12 LYS O 1 1 5 2930 1 1 13 ASP C C 2.387 -5.937 -3.769 1.00 . A A . 13 ASP C 1 1 5 2931 1 1 13 ASP CA C 2.728 -5.955 -5.263 1.00 . A A . 13 ASP CA 1 1 5 2932 1 1 13 ASP CB C 4.132 -5.382 -5.450 1.00 . A A . 13 ASP CB 1 1 5 2933 1 1 13 ASP CG C 5.167 -6.485 -5.207 1.00 . A A . 13 ASP CG 1 1 5 2934 1 1 13 ASP H H 2.075 -4.498 -6.711 1.00 . A A . 13 ASP H 1 1 5 2935 1 1 13 ASP HA H 2.718 -6.978 -5.610 1.00 . A A . 13 ASP HA 1 1 5 2936 1 1 13 ASP HB2 H 4.237 -4.999 -6.453 1.00 . A A . 13 ASP HB2 1 1 5 2937 1 1 13 ASP HB3 H 4.291 -4.586 -4.737 1.00 . A A . 13 ASP HB3 1 1 5 2938 1 1 13 ASP N N 1.747 -5.165 -6.073 1.00 . A A . 13 ASP N 1 1 5 2939 1 1 13 ASP O O 3.010 -6.628 -2.989 1.00 . A A . 13 ASP O 1 1 5 2940 1 1 13 ASP OD1 O 5.533 -6.685 -4.060 1.00 . A A . 13 ASP OD1 1 1 5 2941 1 1 13 ASP OD2 O 5.573 -7.112 -6.171 1.00 . A A . 13 ASP OD2 1 1 5 2942 1 1 14 CYS C C 0.121 -6.282 -1.610 1.00 . A A . 14 CYS C 1 1 5 2943 1 1 14 CYS CA C 1.098 -5.159 -1.905 1.00 . A A . 14 CYS CA 1 1 5 2944 1 1 14 CYS CB C 0.444 -3.834 -1.542 1.00 . A A . 14 CYS CB 1 1 5 2945 1 1 14 CYS H H 0.912 -4.611 -3.958 1.00 . A A . 14 CYS H 1 1 5 2946 1 1 14 CYS HA H 1.997 -5.293 -1.324 1.00 . A A . 14 CYS HA 1 1 5 2947 1 1 14 CYS HB2 H -0.198 -3.521 -2.355 1.00 . A A . 14 CYS HB2 1 1 5 2948 1 1 14 CYS HB3 H -0.140 -3.958 -0.663 1.00 . A A . 14 CYS HB3 1 1 5 2949 1 1 14 CYS N N 1.421 -5.172 -3.346 1.00 . A A . 14 CYS N 1 1 5 2950 1 1 14 CYS O O -0.720 -6.618 -2.420 1.00 . A A . 14 CYS O 1 1 5 2951 1 1 14 CYS SG S 1.710 -2.578 -1.266 1.00 . A A . 14 CYS SG 1 1 5 2952 1 1 15 CYS C C -2.128 -7.455 -0.325 1.00 . A A . 15 CYS C 1 1 5 2953 1 1 15 CYS CA C -0.703 -7.946 -0.108 1.00 . A A . 15 CYS CA 1 1 5 2954 1 1 15 CYS CB C -0.476 -8.291 1.351 1.00 . A A . 15 CYS CB 1 1 5 2955 1 1 15 CYS H H 0.889 -6.584 0.192 1.00 . A A . 15 CYS H 1 1 5 2956 1 1 15 CYS HA H -0.510 -8.811 -0.725 1.00 . A A . 15 CYS HA 1 1 5 2957 1 1 15 CYS HB2 H -0.691 -7.429 1.960 1.00 . A A . 15 CYS HB2 1 1 5 2958 1 1 15 CYS HB3 H -1.118 -9.089 1.630 1.00 . A A . 15 CYS HB3 1 1 5 2959 1 1 15 CYS N N 0.216 -6.863 -0.455 1.00 . A A . 15 CYS N 1 1 5 2960 1 1 15 CYS O O -2.471 -6.340 0.014 1.00 . A A . 15 CYS O 1 1 5 2961 1 1 15 CYS SG S 1.251 -8.777 1.586 1.00 . A A . 15 CYS SG 1 1 5 2962 1 1 16 CYS C C -4.927 -7.184 0.093 1.00 . A A . 16 CYS C 1 1 5 2963 1 1 16 CYS CA C -4.350 -7.853 -1.157 1.00 . A A . 16 CYS CA 1 1 5 2964 1 1 16 CYS CB C -5.163 -9.097 -1.499 1.00 . A A . 16 CYS CB 1 1 5 2965 1 1 16 CYS H H -2.663 -9.163 -1.173 1.00 . A A . 16 CYS H 1 1 5 2966 1 1 16 CYS HA H -4.376 -7.160 -1.984 1.00 . A A . 16 CYS HA 1 1 5 2967 1 1 16 CYS HB2 H -4.589 -9.976 -1.246 1.00 . A A . 16 CYS HB2 1 1 5 2968 1 1 16 CYS HB3 H -6.069 -9.098 -0.931 1.00 . A A . 16 CYS HB3 1 1 5 2969 1 1 16 CYS N N -2.957 -8.272 -0.901 1.00 . A A . 16 CYS N 1 1 5 2970 1 1 16 CYS O O -4.967 -7.767 1.159 1.00 . A A . 16 CYS O 1 1 5 2971 1 1 16 CYS SG S -5.545 -9.133 -3.270 1.00 . A A . 16 CYS SG 1 1 5 2972 1 1 17 GLY C C -5.087 -4.059 1.522 1.00 . A A . 17 GLY C 1 1 5 2973 1 1 17 GLY CA C -5.968 -5.249 1.134 1.00 . A A . 17 GLY CA 1 1 5 2974 1 1 17 GLY H H -5.344 -5.523 -0.910 1.00 . A A . 17 GLY H 1 1 5 2975 1 1 17 GLY HA2 H -6.954 -4.892 0.873 1.00 . A A . 17 GLY HA2 1 1 5 2976 1 1 17 GLY HA3 H -6.045 -5.924 1.973 1.00 . A A . 17 GLY HA3 1 1 5 2977 1 1 17 GLY N N -5.382 -5.965 -0.038 1.00 . A A . 17 GLY N 1 1 5 2978 1 1 17 GLY O O -5.456 -3.263 2.358 1.00 . A A . 17 GLY O 1 1 5 2979 1 1 18 TYR C C -2.635 -2.010 0.090 1.00 . A A . 18 TYR C 1 1 5 2980 1 1 18 TYR CA C -3.026 -2.781 1.280 1.00 . A A . 18 TYR CA 1 1 5 2981 1 1 18 TYR CB C -1.764 -3.307 1.965 1.00 . A A . 18 TYR CB 1 1 5 2982 1 1 18 TYR CD1 C -2.288 -3.239 4.430 1.00 . A A . 18 TYR CD1 1 1 5 2983 1 1 18 TYR CD2 C -2.302 -5.387 3.299 1.00 . A A . 18 TYR CD2 1 1 5 2984 1 1 18 TYR CE1 C -2.620 -3.870 5.633 1.00 . A A . 18 TYR CE1 1 1 5 2985 1 1 18 TYR CE2 C -2.634 -6.017 4.505 1.00 . A A . 18 TYR CE2 1 1 5 2986 1 1 18 TYR CG C -2.129 -3.994 3.261 1.00 . A A . 18 TYR CG 1 1 5 2987 1 1 18 TYR CZ C -2.793 -5.259 5.670 1.00 . A A . 18 TYR CZ 1 1 5 2988 1 1 18 TYR H H -3.629 -4.617 0.223 1.00 . A A . 18 TYR H 1 1 5 2989 1 1 18 TYR HA H -3.536 -2.114 1.955 1.00 . A A . 18 TYR HA 1 1 5 2990 1 1 18 TYR HB2 H -1.262 -4.007 1.314 1.00 . A A . 18 TYR HB2 1 1 5 2991 1 1 18 TYR HB3 H -1.109 -2.477 2.177 1.00 . A A . 18 TYR HB3 1 1 5 2992 1 1 18 TYR HD1 H -2.153 -2.167 4.401 1.00 . A A . 18 TYR HD1 1 1 5 2993 1 1 18 TYR HD2 H -2.181 -5.974 2.398 1.00 . A A . 18 TYR HD2 1 1 5 2994 1 1 18 TYR HE1 H -2.744 -3.286 6.531 1.00 . A A . 18 TYR HE1 1 1 5 2995 1 1 18 TYR HE2 H -2.765 -7.088 4.536 1.00 . A A . 18 TYR HE2 1 1 5 2996 1 1 18 TYR HH H -3.533 -5.229 7.431 1.00 . A A . 18 TYR HH 1 1 5 2997 1 1 18 TYR N N -3.925 -3.929 0.930 1.00 . A A . 18 TYR N 1 1 5 2998 1 1 18 TYR O O -2.441 -2.592 -1.040 1.00 . A A . 18 TYR O 1 1 5 2999 1 1 18 TYR OH O -3.122 -5.881 6.857 1.00 . A A . 18 TYR OH 1 1 5 3000 1 1 19 ASN C C -0.632 0.445 -1.024 1.00 . A A . 19 ASN C 1 1 5 3001 1 1 19 ASN CA C -2.123 0.099 -1.112 1.00 . A A . 19 ASN CA 1 1 5 3002 1 1 19 ASN CB C -2.943 1.391 -1.149 1.00 . A A . 19 ASN CB 1 1 5 3003 1 1 19 ASN CG C -2.554 2.207 -2.382 1.00 . A A . 19 ASN CG 1 1 5 3004 1 1 19 ASN H H -2.662 -0.246 0.955 1.00 . A A . 19 ASN H 1 1 5 3005 1 1 19 ASN HA H -2.310 -0.476 -2.007 1.00 . A A . 19 ASN HA 1 1 5 3006 1 1 19 ASN HB2 H -3.995 1.148 -1.195 1.00 . A A . 19 ASN HB2 1 1 5 3007 1 1 19 ASN HB3 H -2.746 1.969 -0.259 1.00 . A A . 19 ASN HB3 1 1 5 3008 1 1 19 ASN HD21 H -0.956 3.011 -1.519 1.00 . A A . 19 ASN HD21 1 1 5 3009 1 1 19 ASN HD22 H -1.236 3.494 -3.122 1.00 . A A . 19 ASN HD22 1 1 5 3010 1 1 19 ASN N N -2.509 -0.702 0.095 1.00 . A A . 19 ASN N 1 1 5 3011 1 1 19 ASN ND2 N -1.493 2.968 -2.337 1.00 . A A . 19 ASN ND2 1 1 5 3012 1 1 19 ASN O O -0.037 0.349 0.019 1.00 . A A . 19 ASN O 1 1 5 3013 1 1 19 ASN OD1 O -3.218 2.151 -3.396 1.00 . A A . 19 ASN OD1 1 1 5 3014 1 1 20 CYS C C 1.603 2.665 -1.723 1.00 . A A . 20 CYS C 1 1 5 3015 1 1 20 CYS CA C 1.427 1.178 -2.051 1.00 . A A . 20 CYS CA 1 1 5 3016 1 1 20 CYS CB C 2.028 0.861 -3.413 1.00 . A A . 20 CYS CB 1 1 5 3017 1 1 20 CYS H H -0.489 0.915 -2.953 1.00 . A A . 20 CYS H 1 1 5 3018 1 1 20 CYS HA H 1.916 0.581 -1.294 1.00 . A A . 20 CYS HA 1 1 5 3019 1 1 20 CYS HB2 H 1.346 1.161 -4.188 1.00 . A A . 20 CYS HB2 1 1 5 3020 1 1 20 CYS HB3 H 2.940 1.384 -3.535 1.00 . A A . 20 CYS HB3 1 1 5 3021 1 1 20 CYS N N -0.015 0.842 -2.105 1.00 . A A . 20 CYS N 1 1 5 3022 1 1 20 CYS O O 0.988 3.522 -2.325 1.00 . A A . 20 CYS O 1 1 5 3023 1 1 20 CYS SG S 2.323 -0.918 -3.527 1.00 . A A . 20 CYS SG 1 1 5 3024 1 1 21 VAL C C 4.168 4.643 -0.240 1.00 . A A . 21 VAL C 1 1 5 3025 1 1 21 VAL CA C 2.662 4.396 -0.373 1.00 . A A . 21 VAL CA 1 1 5 3026 1 1 21 VAL CB C 1.952 4.677 0.965 1.00 . A A . 21 VAL CB 1 1 5 3027 1 1 21 VAL CG1 C 2.933 4.536 2.135 1.00 . A A . 21 VAL CG1 1 1 5 3028 1 1 21 VAL CG2 C 1.375 6.096 0.960 1.00 . A A . 21 VAL CG2 1 1 5 3029 1 1 21 VAL H H 2.919 2.258 -0.289 1.00 . A A . 21 VAL H 1 1 5 3030 1 1 21 VAL HA H 2.262 5.046 -1.139 1.00 . A A . 21 VAL HA 1 1 5 3031 1 1 21 VAL HB H 1.148 3.966 1.091 1.00 . A A . 21 VAL HB 1 1 5 3032 1 1 21 VAL HG11 H 3.530 3.648 2.002 1.00 . A A . 21 VAL HG11 1 1 5 3033 1 1 21 VAL HG12 H 2.380 4.461 3.059 1.00 . A A . 21 VAL HG12 1 1 5 3034 1 1 21 VAL HG13 H 3.577 5.402 2.172 1.00 . A A . 21 VAL HG13 1 1 5 3035 1 1 21 VAL HG21 H 0.943 6.310 1.925 1.00 . A A . 21 VAL HG21 1 1 5 3036 1 1 21 VAL HG22 H 0.613 6.171 0.199 1.00 . A A . 21 VAL HG22 1 1 5 3037 1 1 21 VAL HG23 H 2.163 6.805 0.752 1.00 . A A . 21 VAL HG23 1 1 5 3038 1 1 21 VAL N N 2.439 2.970 -0.762 1.00 . A A . 21 VAL N 1 1 5 3039 1 1 21 VAL O O 4.940 3.723 -0.071 1.00 . A A . 21 VAL O 1 1 5 3040 1 1 22 TYR C C 6.363 6.737 1.190 1.00 . A A . 22 TYR C 1 1 5 3041 1 1 22 TYR CA C 6.049 6.178 -0.203 1.00 . A A . 22 TYR CA 1 1 5 3042 1 1 22 TYR CB C 6.421 7.215 -1.261 1.00 . A A . 22 TYR CB 1 1 5 3043 1 1 22 TYR CD1 C 8.682 6.387 -1.993 1.00 . A A . 22 TYR CD1 1 1 5 3044 1 1 22 TYR CD2 C 8.547 8.454 -0.732 1.00 . A A . 22 TYR CD2 1 1 5 3045 1 1 22 TYR CE1 C 10.073 6.519 -2.062 1.00 . A A . 22 TYR CE1 1 1 5 3046 1 1 22 TYR CE2 C 9.938 8.586 -0.799 1.00 . A A . 22 TYR CE2 1 1 5 3047 1 1 22 TYR CG C 7.920 7.354 -1.328 1.00 . A A . 22 TYR CG 1 1 5 3048 1 1 22 TYR CZ C 10.701 7.619 -1.465 1.00 . A A . 22 TYR CZ 1 1 5 3049 1 1 22 TYR H H 3.919 6.643 -0.460 1.00 . A A . 22 TYR H 1 1 5 3050 1 1 22 TYR HA H 6.624 5.278 -0.366 1.00 . A A . 22 TYR HA 1 1 5 3051 1 1 22 TYR HB2 H 6.047 6.895 -2.223 1.00 . A A . 22 TYR HB2 1 1 5 3052 1 1 22 TYR HB3 H 5.982 8.167 -1.003 1.00 . A A . 22 TYR HB3 1 1 5 3053 1 1 22 TYR HD1 H 8.196 5.539 -2.452 1.00 . A A . 22 TYR HD1 1 1 5 3054 1 1 22 TYR HD2 H 7.958 9.198 -0.218 1.00 . A A . 22 TYR HD2 1 1 5 3055 1 1 22 TYR HE1 H 10.662 5.774 -2.573 1.00 . A A . 22 TYR HE1 1 1 5 3056 1 1 22 TYR HE2 H 10.422 9.433 -0.338 1.00 . A A . 22 TYR HE2 1 1 5 3057 1 1 22 TYR HH H 12.425 7.634 -0.651 1.00 . A A . 22 TYR HH 1 1 5 3058 1 1 22 TYR N N 4.592 5.876 -0.319 1.00 . A A . 22 TYR N 1 1 5 3059 1 1 22 TYR O O 5.749 7.684 1.642 1.00 . A A . 22 TYR O 1 1 5 3060 1 1 22 TYR OH O 12.070 7.749 -1.535 1.00 . A A . 22 TYR OH 1 1 5 3061 1 1 23 ALA C C 8.825 7.678 3.111 1.00 . A A . 23 ALA C 1 1 5 3062 1 1 23 ALA CA C 7.679 6.667 3.233 1.00 . A A . 23 ALA CA 1 1 5 3063 1 1 23 ALA CB C 8.121 5.494 4.111 1.00 . A A . 23 ALA CB 1 1 5 3064 1 1 23 ALA H H 7.807 5.403 1.488 1.00 . A A . 23 ALA H 1 1 5 3065 1 1 23 ALA HA H 6.820 7.148 3.679 1.00 . A A . 23 ALA HA 1 1 5 3066 1 1 23 ALA HB1 H 8.723 5.861 4.928 1.00 . A A . 23 ALA HB1 1 1 5 3067 1 1 23 ALA HB2 H 8.698 4.799 3.520 1.00 . A A . 23 ALA HB2 1 1 5 3068 1 1 23 ALA HB3 H 7.249 4.993 4.506 1.00 . A A . 23 ALA HB3 1 1 5 3069 1 1 23 ALA N N 7.319 6.163 1.872 1.00 . A A . 23 ALA N 1 1 5 3070 1 1 23 ALA O O 9.932 7.334 2.747 1.00 . A A . 23 ALA O 1 1 5 3071 1 1 24 TRP C C 10.872 9.544 4.110 1.00 . A A . 24 TRP C 1 1 5 3072 1 1 24 TRP CA C 9.634 9.958 3.302 1.00 . A A . 24 TRP CA 1 1 5 3073 1 1 24 TRP CB C 9.105 11.303 3.808 1.00 . A A . 24 TRP CB 1 1 5 3074 1 1 24 TRP CD1 C 7.853 10.589 5.884 1.00 . A A . 24 TRP CD1 1 1 5 3075 1 1 24 TRP CD2 C 9.649 11.862 6.351 1.00 . A A . 24 TRP CD2 1 1 5 3076 1 1 24 TRP CE2 C 9.047 11.540 7.589 1.00 . A A . 24 TRP CE2 1 1 5 3077 1 1 24 TRP CE3 C 10.807 12.662 6.363 1.00 . A A . 24 TRP CE3 1 1 5 3078 1 1 24 TRP CG C 8.873 11.243 5.283 1.00 . A A . 24 TRP CG 1 1 5 3079 1 1 24 TRP CH2 C 10.722 12.791 8.794 1.00 . A A . 24 TRP CH2 1 1 5 3080 1 1 24 TRP CZ2 C 9.572 11.996 8.798 1.00 . A A . 24 TRP CZ2 1 1 5 3081 1 1 24 TRP CZ3 C 11.338 13.123 7.580 1.00 . A A . 24 TRP CZ3 1 1 5 3082 1 1 24 TRP H H 7.664 9.180 3.693 1.00 . A A . 24 TRP H 1 1 5 3083 1 1 24 TRP HA H 9.916 10.062 2.263 1.00 . A A . 24 TRP HA 1 1 5 3084 1 1 24 TRP HB2 H 9.828 12.075 3.590 1.00 . A A . 24 TRP HB2 1 1 5 3085 1 1 24 TRP HB3 H 8.176 11.532 3.307 1.00 . A A . 24 TRP HB3 1 1 5 3086 1 1 24 TRP HD1 H 7.087 10.022 5.377 1.00 . A A . 24 TRP HD1 1 1 5 3087 1 1 24 TRP HE1 H 7.341 10.389 7.917 1.00 . A A . 24 TRP HE1 1 1 5 3088 1 1 24 TRP HE3 H 11.289 12.924 5.434 1.00 . A A . 24 TRP HE3 1 1 5 3089 1 1 24 TRP HH2 H 11.134 13.149 9.724 1.00 . A A . 24 TRP HH2 1 1 5 3090 1 1 24 TRP HZ2 H 9.093 11.737 9.731 1.00 . A A . 24 TRP HZ2 1 1 5 3091 1 1 24 TRP HZ3 H 12.226 13.738 7.578 1.00 . A A . 24 TRP HZ3 1 1 5 3092 1 1 24 TRP N N 8.564 8.923 3.407 1.00 . A A . 24 TRP N 1 1 5 3093 1 1 24 TRP NE1 N 7.956 10.763 7.252 1.00 . A A . 24 TRP NE1 1 1 5 3094 1 1 24 TRP O O 11.847 10.265 4.168 1.00 . A A . 24 TRP O 1 1 5 3095 1 1 25 TYR C C 12.503 6.573 4.993 1.00 . A A . 25 TYR C 1 1 5 3096 1 1 25 TYR CA C 12.038 7.935 5.515 1.00 . A A . 25 TYR CA 1 1 5 3097 1 1 25 TYR CB C 11.666 7.825 6.998 1.00 . A A . 25 TYR CB 1 1 5 3098 1 1 25 TYR CD1 C 10.530 5.590 7.283 1.00 . A A . 25 TYR CD1 1 1 5 3099 1 1 25 TYR CD2 C 9.167 7.591 7.192 1.00 . A A . 25 TYR CD2 1 1 5 3100 1 1 25 TYR CE1 C 9.376 4.811 7.440 1.00 . A A . 25 TYR CE1 1 1 5 3101 1 1 25 TYR CE2 C 8.013 6.814 7.348 1.00 . A A . 25 TYR CE2 1 1 5 3102 1 1 25 TYR CG C 10.425 6.979 7.159 1.00 . A A . 25 TYR CG 1 1 5 3103 1 1 25 TYR CZ C 8.118 5.423 7.472 1.00 . A A . 25 TYR CZ 1 1 5 3104 1 1 25 TYR H H 10.015 7.787 4.665 1.00 . A A . 25 TYR H 1 1 5 3105 1 1 25 TYR HA H 12.841 8.650 5.402 1.00 . A A . 25 TYR HA 1 1 5 3106 1 1 25 TYR HB2 H 12.482 7.371 7.539 1.00 . A A . 25 TYR HB2 1 1 5 3107 1 1 25 TYR HB3 H 11.479 8.813 7.395 1.00 . A A . 25 TYR HB3 1 1 5 3108 1 1 25 TYR HD1 H 11.498 5.116 7.259 1.00 . A A . 25 TYR HD1 1 1 5 3109 1 1 25 TYR HD2 H 9.087 8.661 7.098 1.00 . A A . 25 TYR HD2 1 1 5 3110 1 1 25 TYR HE1 H 9.457 3.738 7.535 1.00 . A A . 25 TYR HE1 1 1 5 3111 1 1 25 TYR HE2 H 7.042 7.286 7.373 1.00 . A A . 25 TYR HE2 1 1 5 3112 1 1 25 TYR HH H 6.901 4.087 6.858 1.00 . A A . 25 TYR HH 1 1 5 3113 1 1 25 TYR N N 10.851 8.386 4.725 1.00 . A A . 25 TYR N 1 1 5 3114 1 1 25 TYR O O 11.717 5.780 4.516 1.00 . A A . 25 TYR O 1 1 5 3115 1 1 25 TYR OH O 6.980 4.658 7.627 1.00 . A A . 25 TYR OH 1 1 5 3116 1 1 26 ASN C C 13.857 4.837 3.090 1.00 . A A . 26 ASN C 1 1 5 3117 1 1 26 ASN CA C 14.307 5.013 4.548 1.00 . A A . 26 ASN CA 1 1 5 3118 1 1 26 ASN CB C 13.809 3.862 5.442 1.00 . A A . 26 ASN CB 1 1 5 3119 1 1 26 ASN CG C 12.732 3.050 4.729 1.00 . A A . 26 ASN CG 1 1 5 3120 1 1 26 ASN H H 14.398 6.972 5.435 1.00 . A A . 26 ASN H 1 1 5 3121 1 1 26 ASN HA H 15.385 5.039 4.575 1.00 . A A . 26 ASN HA 1 1 5 3122 1 1 26 ASN HB2 H 14.639 3.215 5.686 1.00 . A A . 26 ASN HB2 1 1 5 3123 1 1 26 ASN HB3 H 13.402 4.273 6.351 1.00 . A A . 26 ASN HB3 1 1 5 3124 1 1 26 ASN HD21 H 11.261 4.261 5.277 1.00 . A A . 26 ASN HD21 1 1 5 3125 1 1 26 ASN HD22 H 10.798 2.937 4.328 1.00 . A A . 26 ASN HD22 1 1 5 3126 1 1 26 ASN N N 13.780 6.309 5.060 1.00 . A A . 26 ASN N 1 1 5 3127 1 1 26 ASN ND2 N 11.493 3.448 4.782 1.00 . A A . 26 ASN ND2 1 1 5 3128 1 1 26 ASN O O 13.905 3.758 2.533 1.00 . A A . 26 ASN O 1 1 5 3129 1 1 26 ASN OD1 O 13.024 2.040 4.122 1.00 . A A . 26 ASN OD1 1 1 5 3130 1 1 27 GLN C C 12.508 4.510 0.628 1.00 . A A . 27 GLN C 1 1 5 3131 1 1 27 GLN CA C 12.999 5.901 1.045 1.00 . A A . 27 GLN CA 1 1 5 3132 1 1 27 GLN CB C 14.178 6.313 0.161 1.00 . A A . 27 GLN CB 1 1 5 3133 1 1 27 GLN CD C 13.669 8.719 0.644 1.00 . A A . 27 GLN CD 1 1 5 3134 1 1 27 GLN CG C 14.751 7.638 0.672 1.00 . A A . 27 GLN CG 1 1 5 3135 1 1 27 GLN H H 13.443 6.770 2.962 1.00 . A A . 27 GLN H 1 1 5 3136 1 1 27 GLN HA H 12.198 6.612 0.914 1.00 . A A . 27 GLN HA 1 1 5 3137 1 1 27 GLN HB2 H 14.942 5.549 0.202 1.00 . A A . 27 GLN HB2 1 1 5 3138 1 1 27 GLN HB3 H 13.843 6.435 -0.856 1.00 . A A . 27 GLN HB3 1 1 5 3139 1 1 27 GLN HE21 H 13.313 8.610 2.596 1.00 . A A . 27 GLN HE21 1 1 5 3140 1 1 27 GLN HE22 H 12.373 9.743 1.749 1.00 . A A . 27 GLN HE22 1 1 5 3141 1 1 27 GLN HG2 H 15.106 7.511 1.683 1.00 . A A . 27 GLN HG2 1 1 5 3142 1 1 27 GLN HG3 H 15.573 7.940 0.039 1.00 . A A . 27 GLN HG3 1 1 5 3143 1 1 27 GLN N N 13.445 5.919 2.477 1.00 . A A . 27 GLN N 1 1 5 3144 1 1 27 GLN NE2 N 13.069 9.052 1.755 1.00 . A A . 27 GLN NE2 1 1 5 3145 1 1 27 GLN O O 13.091 3.867 -0.223 1.00 . A A . 27 GLN O 1 1 5 3146 1 1 27 GLN OE1 O 13.357 9.258 -0.399 1.00 . A A . 27 GLN OE1 1 1 5 3147 1 1 28 GLN C C 9.382 2.802 0.611 1.00 . A A . 28 GLN C 1 1 5 3148 1 1 28 GLN CA C 10.892 2.703 0.846 1.00 . A A . 28 GLN CA 1 1 5 3149 1 1 28 GLN CB C 11.166 1.719 1.987 1.00 . A A . 28 GLN CB 1 1 5 3150 1 1 28 GLN CD C 10.820 -0.609 2.821 1.00 . A A . 28 GLN CD 1 1 5 3151 1 1 28 GLN CG C 10.516 0.366 1.684 1.00 . A A . 28 GLN CG 1 1 5 3152 1 1 28 GLN H H 10.978 4.588 1.889 1.00 . A A . 28 GLN H 1 1 5 3153 1 1 28 GLN HA H 11.370 2.348 -0.055 1.00 . A A . 28 GLN HA 1 1 5 3154 1 1 28 GLN HB2 H 12.233 1.586 2.091 1.00 . A A . 28 GLN HB2 1 1 5 3155 1 1 28 GLN HB3 H 10.761 2.113 2.906 1.00 . A A . 28 GLN HB3 1 1 5 3156 1 1 28 GLN HE21 H 8.906 -1.014 3.169 1.00 . A A . 28 GLN HE21 1 1 5 3157 1 1 28 GLN HE22 H 10.012 -1.827 4.167 1.00 . A A . 28 GLN HE22 1 1 5 3158 1 1 28 GLN HG2 H 9.447 0.489 1.597 1.00 . A A . 28 GLN HG2 1 1 5 3159 1 1 28 GLN HG3 H 10.913 -0.025 0.760 1.00 . A A . 28 GLN HG3 1 1 5 3160 1 1 28 GLN N N 11.435 4.046 1.211 1.00 . A A . 28 GLN N 1 1 5 3161 1 1 28 GLN NE2 N 9.831 -1.199 3.437 1.00 . A A . 28 GLN NE2 1 1 5 3162 1 1 28 GLN O O 8.719 3.670 1.142 1.00 . A A . 28 GLN O 1 1 5 3163 1 1 28 GLN OE1 O 11.966 -0.832 3.156 1.00 . A A . 28 GLN OE1 1 1 5 3164 1 1 29 SER C C 6.685 1.076 0.671 1.00 . A A . 29 SER C 1 1 5 3165 1 1 29 SER CA C 7.359 1.930 -0.402 1.00 . A A . 29 SER CA 1 1 5 3166 1 1 29 SER CB C 7.056 1.338 -1.776 1.00 . A A . 29 SER CB 1 1 5 3167 1 1 29 SER H H 9.379 1.199 -0.562 1.00 . A A . 29 SER H 1 1 5 3168 1 1 29 SER HA H 6.998 2.946 -0.348 1.00 . A A . 29 SER HA 1 1 5 3169 1 1 29 SER HB2 H 7.275 0.283 -1.771 1.00 . A A . 29 SER HB2 1 1 5 3170 1 1 29 SER HB3 H 6.010 1.482 -2.004 1.00 . A A . 29 SER HB3 1 1 5 3171 1 1 29 SER HG H 8.514 1.340 -3.064 1.00 . A A . 29 SER HG 1 1 5 3172 1 1 29 SER N N 8.830 1.902 -0.159 1.00 . A A . 29 SER N 1 1 5 3173 1 1 29 SER O O 6.949 -0.098 0.780 1.00 . A A . 29 SER O 1 1 5 3174 1 1 29 SER OG O 7.865 1.977 -2.756 1.00 . A A . 29 SER OG 1 1 5 3175 1 1 30 SER C C 3.733 0.541 2.200 1.00 . A A . 30 SER C 1 1 5 3176 1 1 30 SER CA C 5.184 0.871 2.557 1.00 . A A . 30 SER CA 1 1 5 3177 1 1 30 SER CB C 5.215 1.683 3.851 1.00 . A A . 30 SER CB 1 1 5 3178 1 1 30 SER H H 5.646 2.594 1.394 1.00 . A A . 30 SER H 1 1 5 3179 1 1 30 SER HA H 5.729 -0.033 2.700 1.00 . A A . 30 SER HA 1 1 5 3180 1 1 30 SER HB2 H 6.227 1.755 4.209 1.00 . A A . 30 SER HB2 1 1 5 3181 1 1 30 SER HB3 H 4.831 2.676 3.660 1.00 . A A . 30 SER HB3 1 1 5 3182 1 1 30 SER HG H 4.976 0.846 5.589 1.00 . A A . 30 SER HG 1 1 5 3183 1 1 30 SER N N 5.836 1.652 1.480 1.00 . A A . 30 SER N 1 1 5 3184 1 1 30 SER O O 2.933 1.418 1.934 1.00 . A A . 30 SER O 1 1 5 3185 1 1 30 SER OG O 4.417 1.033 4.832 1.00 . A A . 30 SER OG 1 1 5 3186 1 1 31 CYS C C 1.047 -0.584 3.001 1.00 . A A . 31 CYS C 1 1 5 3187 1 1 31 CYS CA C 1.972 -1.092 1.890 1.00 . A A . 31 CYS CA 1 1 5 3188 1 1 31 CYS CB C 1.839 -2.617 1.780 1.00 . A A . 31 CYS CB 1 1 5 3189 1 1 31 CYS H H 4.031 -1.412 2.439 1.00 . A A . 31 CYS H 1 1 5 3190 1 1 31 CYS HA H 1.689 -0.640 0.953 1.00 . A A . 31 CYS HA 1 1 5 3191 1 1 31 CYS HB2 H 2.234 -3.076 2.673 1.00 . A A . 31 CYS HB2 1 1 5 3192 1 1 31 CYS HB3 H 0.803 -2.880 1.671 1.00 . A A . 31 CYS HB3 1 1 5 3193 1 1 31 CYS N N 3.378 -0.718 2.210 1.00 . A A . 31 CYS N 1 1 5 3194 1 1 31 CYS O O 1.168 -0.966 4.148 1.00 . A A . 31 CYS O 1 1 5 3195 1 1 31 CYS SG S 2.759 -3.216 0.344 1.00 . A A . 31 CYS SG 1 1 5 3196 1 1 32 GLU C C -2.193 0.990 3.010 1.00 . A A . 32 GLU C 1 1 5 3197 1 1 32 GLU CA C -0.826 0.806 3.678 1.00 . A A . 32 GLU CA 1 1 5 3198 1 1 32 GLU CB C -0.280 2.141 4.220 1.00 . A A . 32 GLU CB 1 1 5 3199 1 1 32 GLU CD C -0.488 4.629 4.198 1.00 . A A . 32 GLU CD 1 1 5 3200 1 1 32 GLU CG C -1.045 3.323 3.626 1.00 . A A . 32 GLU CG 1 1 5 3201 1 1 32 GLU H H 0.045 0.557 1.736 1.00 . A A . 32 GLU H 1 1 5 3202 1 1 32 GLU HA H -0.924 0.105 4.489 1.00 . A A . 32 GLU HA 1 1 5 3203 1 1 32 GLU HB2 H -0.381 2.158 5.296 1.00 . A A . 32 GLU HB2 1 1 5 3204 1 1 32 GLU HB3 H 0.766 2.229 3.962 1.00 . A A . 32 GLU HB3 1 1 5 3205 1 1 32 GLU HG2 H -0.931 3.324 2.552 1.00 . A A . 32 GLU HG2 1 1 5 3206 1 1 32 GLU HG3 H -2.089 3.236 3.884 1.00 . A A . 32 GLU HG3 1 1 5 3207 1 1 32 GLU N N 0.121 0.270 2.664 1.00 . A A . 32 GLU N 1 1 5 3208 1 1 32 GLU O O -2.326 1.685 2.024 1.00 . A A . 32 GLU O 1 1 5 3209 1 1 32 GLU OE1 O 0.320 4.557 5.109 1.00 . A A . 32 GLU OE1 1 1 5 3210 1 1 32 GLU OE2 O -0.879 5.679 3.714 1.00 . A A . 32 GLU OE2 1 1 5 3211 1 1 33 ARG C C -5.107 1.896 3.146 1.00 . A A . 33 ARG C 1 1 5 3212 1 1 33 ARG CA C -4.549 0.497 2.881 1.00 . A A . 33 ARG CA 1 1 5 3213 1 1 33 ARG CB C -5.513 -0.566 3.424 1.00 . A A . 33 ARG CB 1 1 5 3214 1 1 33 ARG CD C -6.196 -0.861 0.996 1.00 . A A . 33 ARG CD 1 1 5 3215 1 1 33 ARG CG C -6.694 -0.780 2.450 1.00 . A A . 33 ARG CG 1 1 5 3216 1 1 33 ARG CZ C -7.194 -1.536 -1.105 1.00 . A A . 33 ARG CZ 1 1 5 3217 1 1 33 ARG H H -3.091 -0.229 4.296 1.00 . A A . 33 ARG H 1 1 5 3218 1 1 33 ARG HA H -4.432 0.373 1.823 1.00 . A A . 33 ARG HA 1 1 5 3219 1 1 33 ARG HB2 H -4.983 -1.494 3.558 1.00 . A A . 33 ARG HB2 1 1 5 3220 1 1 33 ARG HB3 H -5.900 -0.239 4.379 1.00 . A A . 33 ARG HB3 1 1 5 3221 1 1 33 ARG HD2 H -6.176 0.129 0.570 1.00 . A A . 33 ARG HD2 1 1 5 3222 1 1 33 ARG HD3 H -5.204 -1.284 0.975 1.00 . A A . 33 ARG HD3 1 1 5 3223 1 1 33 ARG HE H -7.610 -2.442 0.615 1.00 . A A . 33 ARG HE 1 1 5 3224 1 1 33 ARG HG2 H -7.201 -1.700 2.704 1.00 . A A . 33 ARG HG2 1 1 5 3225 1 1 33 ARG HG3 H -7.386 0.045 2.544 1.00 . A A . 33 ARG HG3 1 1 5 3226 1 1 33 ARG HH11 H -5.994 0.069 -1.123 1.00 . A A . 33 ARG HH11 1 1 5 3227 1 1 33 ARG HH12 H -6.626 -0.410 -2.661 1.00 . A A . 33 ARG HH12 1 1 5 3228 1 1 33 ARG HH21 H -8.418 -3.088 -1.397 1.00 . A A . 33 ARG HH21 1 1 5 3229 1 1 33 ARG HH22 H -7.989 -2.193 -2.814 1.00 . A A . 33 ARG HH22 1 1 5 3230 1 1 33 ARG N N -3.208 0.350 3.513 1.00 . A A . 33 ARG N 1 1 5 3231 1 1 33 ARG NE N -7.106 -1.720 0.186 1.00 . A A . 33 ARG NE 1 1 5 3232 1 1 33 ARG NH1 N -6.554 -0.549 -1.673 1.00 . A A . 33 ARG NH1 1 1 5 3233 1 1 33 ARG NH2 N -7.925 -2.333 -1.827 1.00 . A A . 33 ARG NH2 1 1 5 3234 1 1 33 ARG O O -4.613 2.628 3.979 1.00 . A A . 33 ARG O 1 1 5 3235 1 1 34 LYS C C -8.273 3.399 2.882 1.00 . A A . 34 LYS C 1 1 5 3236 1 1 34 LYS CA C -6.771 3.589 2.635 1.00 . A A . 34 LYS CA 1 1 5 3237 1 1 34 LYS CB C -6.551 4.463 1.387 1.00 . A A . 34 LYS CB 1 1 5 3238 1 1 34 LYS CD C -6.067 4.378 -1.085 1.00 . A A . 34 LYS CD 1 1 5 3239 1 1 34 LYS CE C -6.783 3.513 -2.127 1.00 . A A . 34 LYS CE 1 1 5 3240 1 1 34 LYS CG C -5.975 3.613 0.249 1.00 . A A . 34 LYS CG 1 1 5 3241 1 1 34 LYS H H -6.526 1.653 1.796 1.00 . A A . 34 LYS H 1 1 5 3242 1 1 34 LYS HA H -6.330 4.055 3.484 1.00 . A A . 34 LYS HA 1 1 5 3243 1 1 34 LYS HB2 H -7.490 4.893 1.076 1.00 . A A . 34 LYS HB2 1 1 5 3244 1 1 34 LYS HB3 H -5.858 5.255 1.625 1.00 . A A . 34 LYS HB3 1 1 5 3245 1 1 34 LYS HD2 H -6.618 5.297 -0.945 1.00 . A A . 34 LYS HD2 1 1 5 3246 1 1 34 LYS HD3 H -5.073 4.608 -1.439 1.00 . A A . 34 LYS HD3 1 1 5 3247 1 1 34 LYS HE2 H -6.923 4.082 -3.034 1.00 . A A . 34 LYS HE2 1 1 5 3248 1 1 34 LYS HE3 H -6.187 2.637 -2.339 1.00 . A A . 34 LYS HE3 1 1 5 3249 1 1 34 LYS HG2 H -4.940 3.386 0.464 1.00 . A A . 34 LYS HG2 1 1 5 3250 1 1 34 LYS HG3 H -6.533 2.691 0.173 1.00 . A A . 34 LYS HG3 1 1 5 3251 1 1 34 LYS HZ1 H -8.649 2.613 -2.339 1.00 . A A . 34 LYS HZ1 1 1 5 3252 1 1 34 LYS HZ2 H -8.636 3.934 -1.275 1.00 . A A . 34 LYS HZ2 1 1 5 3253 1 1 34 LYS HZ3 H -7.972 2.446 -0.791 1.00 . A A . 34 LYS HZ3 1 1 5 3254 1 1 34 LYS N N -6.147 2.260 2.443 1.00 . A A . 34 LYS N 1 1 5 3255 1 1 34 LYS NZ N -8.110 3.094 -1.592 1.00 . A A . 34 LYS NZ 1 1 5 3256 1 1 34 LYS O O -9.095 4.142 2.381 1.00 . A A . 34 LYS O 1 1 5 3257 1 1 35 TRP C C -10.809 1.936 2.598 1.00 . A A . 35 TRP C 1 1 5 3258 1 1 35 TRP CA C -10.086 2.174 3.922 1.00 . A A . 35 TRP CA 1 1 5 3259 1 1 35 TRP CB C -10.685 3.386 4.668 1.00 . A A . 35 TRP CB 1 1 5 3260 1 1 35 TRP CD1 C -8.543 4.051 5.834 1.00 . A A . 35 TRP CD1 1 1 5 3261 1 1 35 TRP CD2 C -9.400 5.718 4.590 1.00 . A A . 35 TRP CD2 1 1 5 3262 1 1 35 TRP CE2 C -8.214 6.218 5.181 1.00 . A A . 35 TRP CE2 1 1 5 3263 1 1 35 TRP CE3 C -10.136 6.575 3.753 1.00 . A A . 35 TRP CE3 1 1 5 3264 1 1 35 TRP CG C -9.589 4.341 5.027 1.00 . A A . 35 TRP CG 1 1 5 3265 1 1 35 TRP CH2 C -8.516 8.359 4.112 1.00 . A A . 35 TRP CH2 1 1 5 3266 1 1 35 TRP CZ2 C -7.774 7.521 4.946 1.00 . A A . 35 TRP CZ2 1 1 5 3267 1 1 35 TRP CZ3 C -9.695 7.888 3.514 1.00 . A A . 35 TRP CZ3 1 1 5 3268 1 1 35 TRP H H -7.965 1.817 4.043 1.00 . A A . 35 TRP H 1 1 5 3269 1 1 35 TRP HA H -10.192 1.300 4.530 1.00 . A A . 35 TRP HA 1 1 5 3270 1 1 35 TRP HB2 H -11.408 3.889 4.046 1.00 . A A . 35 TRP HB2 1 1 5 3271 1 1 35 TRP HB3 H -11.174 3.046 5.566 1.00 . A A . 35 TRP HB3 1 1 5 3272 1 1 35 TRP HD1 H -8.372 3.107 6.323 1.00 . A A . 35 TRP HD1 1 1 5 3273 1 1 35 TRP HE1 H -6.906 5.219 6.458 1.00 . A A . 35 TRP HE1 1 1 5 3274 1 1 35 TRP HE3 H -11.043 6.222 3.289 1.00 . A A . 35 TRP HE3 1 1 5 3275 1 1 35 TRP HH2 H -8.183 9.370 3.923 1.00 . A A . 35 TRP HH2 1 1 5 3276 1 1 35 TRP HZ2 H -6.865 7.880 5.409 1.00 . A A . 35 TRP HZ2 1 1 5 3277 1 1 35 TRP HZ3 H -10.265 8.537 2.869 1.00 . A A . 35 TRP HZ3 1 1 5 3278 1 1 35 TRP N N -8.639 2.409 3.648 1.00 . A A . 35 TRP N 1 1 5 3279 1 1 35 TRP NE1 N -7.728 5.166 5.929 1.00 . A A . 35 TRP NE1 1 1 5 3280 1 1 35 TRP O O -10.956 0.813 2.158 1.00 . A A . 35 TRP O 1 1 5 3281 1 1 36 LYS C C -12.230 1.399 0.325 1.00 . A A . 36 LYS C 1 1 5 3282 1 1 36 LYS CA C -11.948 2.868 0.650 1.00 . A A . 36 LYS CA 1 1 5 3283 1 1 36 LYS CB C -11.066 3.492 -0.436 1.00 . A A . 36 LYS CB 1 1 5 3284 1 1 36 LYS CD C -10.520 5.633 -1.619 1.00 . A A . 36 LYS CD 1 1 5 3285 1 1 36 LYS CE C -10.987 7.068 -1.880 1.00 . A A . 36 LYS CE 1 1 5 3286 1 1 36 LYS CG C -11.512 4.937 -0.685 1.00 . A A . 36 LYS CG 1 1 5 3287 1 1 36 LYS H H -11.086 3.864 2.351 1.00 . A A . 36 LYS H 1 1 5 3288 1 1 36 LYS HA H -12.886 3.404 0.702 1.00 . A A . 36 LYS HA 1 1 5 3289 1 1 36 LYS HB2 H -10.036 3.486 -0.108 1.00 . A A . 36 LYS HB2 1 1 5 3290 1 1 36 LYS HB3 H -11.157 2.927 -1.351 1.00 . A A . 36 LYS HB3 1 1 5 3291 1 1 36 LYS HD2 H -9.542 5.649 -1.156 1.00 . A A . 36 LYS HD2 1 1 5 3292 1 1 36 LYS HD3 H -10.467 5.097 -2.554 1.00 . A A . 36 LYS HD3 1 1 5 3293 1 1 36 LYS HE2 H -11.697 7.073 -2.696 1.00 . A A . 36 LYS HE2 1 1 5 3294 1 1 36 LYS HE3 H -11.457 7.466 -0.993 1.00 . A A . 36 LYS HE3 1 1 5 3295 1 1 36 LYS HG2 H -12.492 4.933 -1.139 1.00 . A A . 36 LYS HG2 1 1 5 3296 1 1 36 LYS HG3 H -11.554 5.468 0.253 1.00 . A A . 36 LYS HG3 1 1 5 3297 1 1 36 LYS HZ1 H -9.348 8.246 -1.374 1.00 . A A . 36 LYS HZ1 1 1 5 3298 1 1 36 LYS HZ2 H -10.133 8.733 -2.795 1.00 . A A . 36 LYS HZ2 1 1 5 3299 1 1 36 LYS HZ3 H -9.143 7.352 -2.804 1.00 . A A . 36 LYS HZ3 1 1 5 3300 1 1 36 LYS N N -11.241 2.986 1.964 1.00 . A A . 36 LYS N 1 1 5 3301 1 1 36 LYS NZ N -9.814 7.913 -2.241 1.00 . A A . 36 LYS NZ 1 1 5 3302 1 1 36 LYS O O -11.533 0.782 -0.455 1.00 . A A . 36 LYS O 1 1 5 3303 1 1 37 TYR C C -13.747 -0.821 -0.833 1.00 . A A . 37 TYR C 1 1 5 3304 1 1 37 TYR CA C -13.560 -0.595 0.670 1.00 . A A . 37 TYR CA 1 1 5 3305 1 1 37 TYR CB C -14.843 -0.973 1.418 1.00 . A A . 37 TYR CB 1 1 5 3306 1 1 37 TYR CD1 C -13.514 -0.403 3.513 1.00 . A A . 37 TYR CD1 1 1 5 3307 1 1 37 TYR CD2 C -15.935 -0.236 3.567 1.00 . A A . 37 TYR CD2 1 1 5 3308 1 1 37 TYR CE1 C -13.458 0.010 4.850 1.00 . A A . 37 TYR CE1 1 1 5 3309 1 1 37 TYR CE2 C -15.875 0.175 4.904 1.00 . A A . 37 TYR CE2 1 1 5 3310 1 1 37 TYR CG C -14.758 -0.526 2.865 1.00 . A A . 37 TYR CG 1 1 5 3311 1 1 37 TYR CZ C -14.638 0.297 5.544 1.00 . A A . 37 TYR CZ 1 1 5 3312 1 1 37 TYR H H -13.813 1.382 1.589 1.00 . A A . 37 TYR H 1 1 5 3313 1 1 37 TYR HA H -12.748 -1.214 1.015 1.00 . A A . 37 TYR HA 1 1 5 3314 1 1 37 TYR HB2 H -15.686 -0.492 0.945 1.00 . A A . 37 TYR HB2 1 1 5 3315 1 1 37 TYR HB3 H -14.975 -2.044 1.380 1.00 . A A . 37 TYR HB3 1 1 5 3316 1 1 37 TYR HD1 H -12.600 -0.621 2.985 1.00 . A A . 37 TYR HD1 1 1 5 3317 1 1 37 TYR HD2 H -16.892 -0.330 3.073 1.00 . A A . 37 TYR HD2 1 1 5 3318 1 1 37 TYR HE1 H -12.503 0.105 5.346 1.00 . A A . 37 TYR HE1 1 1 5 3319 1 1 37 TYR HE2 H -16.785 0.397 5.441 1.00 . A A . 37 TYR HE2 1 1 5 3320 1 1 37 TYR HH H -15.473 0.917 7.145 1.00 . A A . 37 TYR HH 1 1 5 3321 1 1 37 TYR N N -13.239 0.836 0.930 1.00 . A A . 37 TYR N 1 1 5 3322 1 1 37 TYR O O -14.850 -0.907 -1.337 1.00 . A A . 37 TYR O 1 1 5 3323 1 1 37 TYR OH O -14.581 0.702 6.862 1.00 . A A . 37 TYR OH 1 1 5 3324 1 1 38 LEU C C -13.507 -2.438 -3.286 1.00 . A A . 38 LEU C 1 1 5 3325 1 1 38 LEU CA C -12.708 -1.157 -3.007 1.00 . A A . 38 LEU CA 1 1 5 3326 1 1 38 LEU CB C -11.238 -1.254 -3.507 1.00 . A A . 38 LEU CB 1 1 5 3327 1 1 38 LEU CD1 C -11.183 -2.183 -5.864 1.00 . A A . 38 LEU CD1 1 1 5 3328 1 1 38 LEU CD2 C -9.535 -2.977 -4.162 1.00 . A A . 38 LEU CD2 1 1 5 3329 1 1 38 LEU CG C -10.977 -2.506 -4.375 1.00 . A A . 38 LEU CG 1 1 5 3330 1 1 38 LEU H H -11.793 -0.856 -1.102 1.00 . A A . 38 LEU H 1 1 5 3331 1 1 38 LEU HA H -13.191 -0.319 -3.475 1.00 . A A . 38 LEU HA 1 1 5 3332 1 1 38 LEU HB2 H -11.006 -0.371 -4.085 1.00 . A A . 38 LEU HB2 1 1 5 3333 1 1 38 LEU HB3 H -10.585 -1.280 -2.646 1.00 . A A . 38 LEU HB3 1 1 5 3334 1 1 38 LEU HD11 H -11.739 -2.980 -6.327 1.00 . A A . 38 LEU HD11 1 1 5 3335 1 1 38 LEU HD12 H -10.223 -2.088 -6.350 1.00 . A A . 38 LEU HD12 1 1 5 3336 1 1 38 LEU HD13 H -11.728 -1.254 -5.970 1.00 . A A . 38 LEU HD13 1 1 5 3337 1 1 38 LEU HD21 H -9.437 -3.392 -3.171 1.00 . A A . 38 LEU HD21 1 1 5 3338 1 1 38 LEU HD22 H -8.862 -2.138 -4.273 1.00 . A A . 38 LEU HD22 1 1 5 3339 1 1 38 LEU HD23 H -9.293 -3.733 -4.894 1.00 . A A . 38 LEU HD23 1 1 5 3340 1 1 38 LEU HG H -11.644 -3.301 -4.084 1.00 . A A . 38 LEU HG 1 1 5 3341 1 1 38 LEU N N -12.658 -0.927 -1.542 1.00 . A A . 38 LEU N 1 1 5 3342 1 1 38 LEU O O -14.065 -3.038 -2.389 1.00 . A A . 38 LEU O 1 1 5 3343 1 1 39 PHE C C -13.964 -4.565 -6.261 1.00 . A A . 39 PHE C 1 1 5 3344 1 1 39 PHE CA C -14.319 -4.102 -4.844 1.00 . A A . 39 PHE CA 1 1 5 3345 1 1 39 PHE CB C -15.815 -3.815 -4.758 1.00 . A A . 39 PHE CB 1 1 5 3346 1 1 39 PHE CD1 C -16.452 -6.129 -3.979 1.00 . A A . 39 PHE CD1 1 1 5 3347 1 1 39 PHE CD2 C -17.432 -5.280 -6.029 1.00 . A A . 39 PHE CD2 1 1 5 3348 1 1 39 PHE CE1 C -17.161 -7.326 -4.134 1.00 . A A . 39 PHE CE1 1 1 5 3349 1 1 39 PHE CE2 C -18.141 -6.479 -6.184 1.00 . A A . 39 PHE CE2 1 1 5 3350 1 1 39 PHE CG C -16.587 -5.104 -4.925 1.00 . A A . 39 PHE CG 1 1 5 3351 1 1 39 PHE CZ C -18.005 -7.502 -5.237 1.00 . A A . 39 PHE CZ 1 1 5 3352 1 1 39 PHE H H -13.121 -2.373 -5.223 1.00 . A A . 39 PHE H 1 1 5 3353 1 1 39 PHE HA H -14.060 -4.877 -4.138 1.00 . A A . 39 PHE HA 1 1 5 3354 1 1 39 PHE HB2 H -16.033 -3.376 -3.799 1.00 . A A . 39 PHE HB2 1 1 5 3355 1 1 39 PHE HB3 H -16.094 -3.124 -5.541 1.00 . A A . 39 PHE HB3 1 1 5 3356 1 1 39 PHE HD1 H -15.801 -5.995 -3.127 1.00 . A A . 39 PHE HD1 1 1 5 3357 1 1 39 PHE HD2 H -17.538 -4.494 -6.760 1.00 . A A . 39 PHE HD2 1 1 5 3358 1 1 39 PHE HE1 H -17.057 -8.114 -3.403 1.00 . A A . 39 PHE HE1 1 1 5 3359 1 1 39 PHE HE2 H -18.792 -6.615 -7.035 1.00 . A A . 39 PHE HE2 1 1 5 3360 1 1 39 PHE HZ H -18.552 -8.426 -5.357 1.00 . A A . 39 PHE HZ 1 1 5 3361 1 1 39 PHE N N -13.565 -2.866 -4.518 1.00 . A A . 39 PHE N 1 1 5 3362 1 1 39 PHE O O -14.509 -4.102 -7.244 1.00 . A A . 39 PHE O 1 1 5 3363 1 1 40 THR C C -11.978 -7.419 -7.366 1.00 . A A . 40 THR C 1 1 5 3364 1 1 40 THR CA C -12.619 -6.064 -7.657 1.00 . A A . 40 THR CA 1 1 5 3365 1 1 40 THR CB C -11.576 -5.150 -8.321 1.00 . A A . 40 THR CB 1 1 5 3366 1 1 40 THR CG2 C -12.268 -3.992 -9.045 1.00 . A A . 40 THR CG2 1 1 5 3367 1 1 40 THR H H -12.657 -5.848 -5.522 1.00 . A A . 40 THR H 1 1 5 3368 1 1 40 THR HA H -13.471 -6.191 -8.309 1.00 . A A . 40 THR HA 1 1 5 3369 1 1 40 THR HB H -11.005 -5.723 -9.038 1.00 . A A . 40 THR HB 1 1 5 3370 1 1 40 THR HG1 H -11.077 -4.827 -6.468 1.00 . A A . 40 THR HG1 1 1 5 3371 1 1 40 THR HG21 H -11.547 -3.466 -9.652 1.00 . A A . 40 THR HG21 1 1 5 3372 1 1 40 THR HG22 H -12.689 -3.312 -8.323 1.00 . A A . 40 THR HG22 1 1 5 3373 1 1 40 THR HG23 H -13.054 -4.377 -9.676 1.00 . A A . 40 THR HG23 1 1 5 3374 1 1 40 THR N N -13.055 -5.500 -6.346 1.00 . A A . 40 THR N 1 1 5 3375 1 1 40 THR O O -10.959 -7.502 -6.709 1.00 . A A . 40 THR O 1 1 5 3376 1 1 40 THR OG1 O -10.696 -4.639 -7.329 1.00 . A A . 40 THR OG1 1 1 5 3377 1 1 41 GLY C C -12.148 -10.064 -6.006 1.00 . A A . 41 GLY C 1 1 5 3378 1 1 41 GLY CA C -12.003 -9.823 -7.509 1.00 . A A . 41 GLY CA 1 1 5 3379 1 1 41 GLY H H -13.413 -8.408 -8.318 1.00 . A A . 41 GLY H 1 1 5 3380 1 1 41 GLY HA2 H -12.540 -10.584 -8.059 1.00 . A A . 41 GLY HA2 1 1 5 3381 1 1 41 GLY HA3 H -10.958 -9.843 -7.778 1.00 . A A . 41 GLY HA3 1 1 5 3382 1 1 41 GLY N N -12.577 -8.484 -7.813 1.00 . A A . 41 GLY N 1 1 5 3383 1 1 41 GLY O O -13.180 -9.785 -5.428 1.00 . A A . 41 GLY O 1 1 5 3384 1 1 42 GLU C C -9.891 -10.527 -3.222 1.00 . A A . 42 GLU C 1 1 5 3385 1 1 42 GLU CA C -11.239 -10.797 -3.889 1.00 . A A . 42 GLU CA 1 1 5 3386 1 1 42 GLU CB C -11.642 -12.248 -3.625 1.00 . A A . 42 GLU CB 1 1 5 3387 1 1 42 GLU CD C -12.308 -13.883 -1.858 1.00 . A A . 42 GLU CD 1 1 5 3388 1 1 42 GLU CG C -11.858 -12.447 -2.123 1.00 . A A . 42 GLU CG 1 1 5 3389 1 1 42 GLU H H -10.300 -10.777 -5.832 1.00 . A A . 42 GLU H 1 1 5 3390 1 1 42 GLU HA H -11.983 -10.138 -3.469 1.00 . A A . 42 GLU HA 1 1 5 3391 1 1 42 GLU HB2 H -12.555 -12.471 -4.157 1.00 . A A . 42 GLU HB2 1 1 5 3392 1 1 42 GLU HB3 H -10.857 -12.907 -3.964 1.00 . A A . 42 GLU HB3 1 1 5 3393 1 1 42 GLU HG2 H -10.932 -12.256 -1.597 1.00 . A A . 42 GLU HG2 1 1 5 3394 1 1 42 GLU HG3 H -12.617 -11.764 -1.776 1.00 . A A . 42 GLU HG3 1 1 5 3395 1 1 42 GLU N N -11.132 -10.564 -5.359 1.00 . A A . 42 GLU N 1 1 5 3396 1 1 42 GLU O O -9.027 -11.380 -3.188 1.00 . A A . 42 GLU O 1 1 5 3397 1 1 42 GLU OE1 O -12.682 -14.551 -2.809 1.00 . A A . 42 GLU OE1 1 1 5 3398 1 1 42 GLU OE2 O -12.272 -14.293 -0.709 1.00 . A A . 42 GLU OE2 1 1 5 3399 1 1 43 CYS C C -8.590 -9.240 -0.492 1.00 . A A . 43 CYS C 1 1 5 3400 1 1 43 CYS CA C -8.417 -9.050 -2.002 1.00 . A A . 43 CYS CA 1 1 5 3401 1 1 43 CYS CB C -8.020 -7.600 -2.294 1.00 . A A . 43 CYS CB 1 1 5 3402 1 1 43 CYS H H -10.406 -8.676 -2.700 1.00 . A A . 43 CYS H 1 1 5 3403 1 1 43 CYS HXT H -9.339 -7.559 -0.479 1.00 . A A . 43 CYS HXT 1 1 5 3404 1 1 43 CYS HA H -7.657 -9.718 -2.363 1.00 . A A . 43 CYS HA 1 1 5 3405 1 1 43 CYS HB2 H -8.890 -7.061 -2.639 1.00 . A A . 43 CYS HB2 1 1 5 3406 1 1 43 CYS HB3 H -7.657 -7.139 -1.393 1.00 . A A . 43 CYS HB3 1 1 5 3407 1 1 43 CYS N N -9.702 -9.354 -2.677 1.00 . A A . 43 CYS N 1 1 5 3408 1 1 43 CYS O O -8.116 -10.242 0.018 1.00 . A A . 43 CYS O 1 1 5 3409 1 1 43 CYS OXT O -9.188 -8.377 0.129 1.00 . A A . 43 CYS OXT 1 1 5 3410 1 1 43 CYS SG S -6.733 -7.522 -3.575 1.00 . A A . 43 CYS SG 1 1 6 3411 1 1 1 CYS C C 3.691 -8.385 -0.112 1.00 . A A . 1 CYS C 1 1 6 3412 1 1 1 CYS CA C 3.509 -9.055 -1.482 1.00 . A A . 1 CYS CA 1 1 6 3413 1 1 1 CYS CB C 2.028 -9.396 -1.668 1.00 . A A . 1 CYS CB 1 1 6 3414 1 1 1 CYS H1 H 5.312 -10.076 -1.416 1.00 . A A . 1 CYS H1 1 1 6 3415 1 1 1 CYS H2 H 4.014 -10.944 -0.791 1.00 . A A . 1 CYS H2 1 1 6 3416 1 1 1 CYS H3 H 4.180 -10.758 -2.454 1.00 . A A . 1 CYS H3 1 1 6 3417 1 1 1 CYS HA H 3.827 -8.382 -2.261 1.00 . A A . 1 CYS HA 1 1 6 3418 1 1 1 CYS HB2 H 1.440 -8.583 -1.300 1.00 . A A . 1 CYS HB2 1 1 6 3419 1 1 1 CYS HB3 H 1.803 -9.547 -2.711 1.00 . A A . 1 CYS HB3 1 1 6 3420 1 1 1 CYS N N 4.316 -10.303 -1.540 1.00 . A A . 1 CYS N 1 1 6 3421 1 1 1 CYS O O 3.660 -9.041 0.912 1.00 . A A . 1 CYS O 1 1 6 3422 1 1 1 CYS SG S 1.631 -10.902 -0.746 1.00 . A A . 1 CYS SG 1 1 6 3423 1 1 2 GLY C C 2.662 -6.172 1.886 1.00 . A A . 2 GLY C 1 1 6 3424 1 1 2 GLY CA C 4.038 -6.407 1.246 1.00 . A A . 2 GLY CA 1 1 6 3425 1 1 2 GLY H H 3.896 -6.561 -0.907 1.00 . A A . 2 GLY H 1 1 6 3426 1 1 2 GLY HA2 H 4.638 -7.027 1.899 1.00 . A A . 2 GLY HA2 1 1 6 3427 1 1 2 GLY HA3 H 4.531 -5.457 1.102 1.00 . A A . 2 GLY HA3 1 1 6 3428 1 1 2 GLY N N 3.873 -7.088 -0.073 1.00 . A A . 2 GLY N 1 1 6 3429 1 1 2 GLY O O 1.747 -5.688 1.251 1.00 . A A . 2 GLY O 1 1 6 3430 1 1 3 SER C C 1.340 -5.074 4.771 1.00 . A A . 3 SER C 1 1 6 3431 1 1 3 SER CA C 1.211 -6.292 3.853 1.00 . A A . 3 SER CA 1 1 6 3432 1 1 3 SER CB C 0.877 -7.532 4.684 1.00 . A A . 3 SER CB 1 1 6 3433 1 1 3 SER H H 3.276 -6.882 3.636 1.00 . A A . 3 SER H 1 1 6 3434 1 1 3 SER HA H 0.429 -6.118 3.127 1.00 . A A . 3 SER HA 1 1 6 3435 1 1 3 SER HB2 H 1.757 -7.858 5.214 1.00 . A A . 3 SER HB2 1 1 6 3436 1 1 3 SER HB3 H 0.099 -7.288 5.397 1.00 . A A . 3 SER HB3 1 1 6 3437 1 1 3 SER HG H -0.112 -8.180 3.140 1.00 . A A . 3 SER HG 1 1 6 3438 1 1 3 SER N N 2.518 -6.502 3.147 1.00 . A A . 3 SER N 1 1 6 3439 1 1 3 SER O O 2.244 -4.278 4.615 1.00 . A A . 3 SER O 1 1 6 3440 1 1 3 SER OG O 0.437 -8.573 3.821 1.00 . A A . 3 SER OG 1 1 6 3441 1 1 4 LYS C C 2.050 -3.572 7.024 1.00 . A A . 4 LYS C 1 1 6 3442 1 1 4 LYS CA C 0.582 -3.721 6.632 1.00 . A A . 4 LYS CA 1 1 6 3443 1 1 4 LYS CB C -0.257 -3.920 7.911 1.00 . A A . 4 LYS CB 1 1 6 3444 1 1 4 LYS CD C -1.567 -2.643 9.644 1.00 . A A . 4 LYS CD 1 1 6 3445 1 1 4 LYS CE C -0.528 -1.918 10.508 1.00 . A A . 4 LYS CE 1 1 6 3446 1 1 4 LYS CG C -1.111 -2.670 8.176 1.00 . A A . 4 LYS CG 1 1 6 3447 1 1 4 LYS H H -0.265 -5.555 5.858 1.00 . A A . 4 LYS H 1 1 6 3448 1 1 4 LYS HA H 0.255 -2.835 6.108 1.00 . A A . 4 LYS HA 1 1 6 3449 1 1 4 LYS HB2 H -0.897 -4.780 7.793 1.00 . A A . 4 LYS HB2 1 1 6 3450 1 1 4 LYS HB3 H 0.402 -4.084 8.752 1.00 . A A . 4 LYS HB3 1 1 6 3451 1 1 4 LYS HD2 H -2.513 -2.125 9.713 1.00 . A A . 4 LYS HD2 1 1 6 3452 1 1 4 LYS HD3 H -1.687 -3.655 10.040 1.00 . A A . 4 LYS HD3 1 1 6 3453 1 1 4 LYS HE2 H -0.977 -1.645 11.452 1.00 . A A . 4 LYS HE2 1 1 6 3454 1 1 4 LYS HE3 H 0.311 -2.575 10.686 1.00 . A A . 4 LYS HE3 1 1 6 3455 1 1 4 LYS HG2 H -0.535 -1.785 7.956 1.00 . A A . 4 LYS HG2 1 1 6 3456 1 1 4 LYS HG3 H -1.982 -2.690 7.536 1.00 . A A . 4 LYS HG3 1 1 6 3457 1 1 4 LYS HZ1 H 0.306 -0.060 10.521 1.00 . A A . 4 LYS HZ1 1 1 6 3458 1 1 4 LYS HZ2 H -0.843 -0.250 9.295 1.00 . A A . 4 LYS HZ2 1 1 6 3459 1 1 4 LYS HZ3 H 0.708 -0.927 9.150 1.00 . A A . 4 LYS HZ3 1 1 6 3460 1 1 4 LYS N N 0.460 -4.908 5.732 1.00 . A A . 4 LYS N 1 1 6 3461 1 1 4 LYS NZ N -0.054 -0.681 9.816 1.00 . A A . 4 LYS NZ 1 1 6 3462 1 1 4 LYS O O 2.685 -4.527 7.423 1.00 . A A . 4 LYS O 1 1 6 3463 1 1 5 ARG C C 4.858 -3.260 6.490 1.00 . A A . 5 ARG C 1 1 6 3464 1 1 5 ARG CA C 4.032 -2.238 7.272 1.00 . A A . 5 ARG CA 1 1 6 3465 1 1 5 ARG CB C 4.191 -2.501 8.775 1.00 . A A . 5 ARG CB 1 1 6 3466 1 1 5 ARG CD C 3.299 -1.897 11.026 1.00 . A A . 5 ARG CD 1 1 6 3467 1 1 5 ARG CG C 3.427 -1.442 9.570 1.00 . A A . 5 ARG CG 1 1 6 3468 1 1 5 ARG CZ C 5.222 -1.070 12.263 1.00 . A A . 5 ARG CZ 1 1 6 3469 1 1 5 ARG H H 2.087 -1.639 6.573 1.00 . A A . 5 ARG H 1 1 6 3470 1 1 5 ARG HA H 4.361 -1.237 7.038 1.00 . A A . 5 ARG HA 1 1 6 3471 1 1 5 ARG HB2 H 3.805 -3.479 9.016 1.00 . A A . 5 ARG HB2 1 1 6 3472 1 1 5 ARG HB3 H 5.238 -2.455 9.036 1.00 . A A . 5 ARG HB3 1 1 6 3473 1 1 5 ARG HD2 H 2.740 -1.161 11.584 1.00 . A A . 5 ARG HD2 1 1 6 3474 1 1 5 ARG HD3 H 2.774 -2.841 11.057 1.00 . A A . 5 ARG HD3 1 1 6 3475 1 1 5 ARG HE H 5.113 -2.926 11.562 1.00 . A A . 5 ARG HE 1 1 6 3476 1 1 5 ARG HG2 H 3.965 -0.505 9.530 1.00 . A A . 5 ARG HG2 1 1 6 3477 1 1 5 ARG HG3 H 2.444 -1.314 9.146 1.00 . A A . 5 ARG HG3 1 1 6 3478 1 1 5 ARG HH11 H 3.724 0.216 11.931 1.00 . A A . 5 ARG HH11 1 1 6 3479 1 1 5 ARG HH12 H 5.064 0.839 12.833 1.00 . A A . 5 ARG HH12 1 1 6 3480 1 1 5 ARG HH21 H 6.853 -2.125 12.748 1.00 . A A . 5 ARG HH21 1 1 6 3481 1 1 5 ARG HH22 H 6.832 -0.481 13.294 1.00 . A A . 5 ARG HH22 1 1 6 3482 1 1 5 ARG N N 2.604 -2.401 6.907 1.00 . A A . 5 ARG N 1 1 6 3483 1 1 5 ARG NE N 4.653 -2.064 11.630 1.00 . A A . 5 ARG NE 1 1 6 3484 1 1 5 ARG NH1 N 4.623 0.084 12.347 1.00 . A A . 5 ARG NH1 1 1 6 3485 1 1 5 ARG NH2 N 6.394 -1.239 12.809 1.00 . A A . 5 ARG NH2 1 1 6 3486 1 1 5 ARG O O 5.187 -4.314 6.997 1.00 . A A . 5 ARG O 1 1 6 3487 1 1 6 ALA C C 6.375 -3.360 3.105 1.00 . A A . 6 ALA C 1 1 6 3488 1 1 6 ALA CA C 5.999 -3.950 4.468 1.00 . A A . 6 ALA CA 1 1 6 3489 1 1 6 ALA CB C 5.176 -5.225 4.251 1.00 . A A . 6 ALA CB 1 1 6 3490 1 1 6 ALA H H 4.914 -2.118 4.857 1.00 . A A . 6 ALA H 1 1 6 3491 1 1 6 ALA HA H 6.900 -4.197 5.010 1.00 . A A . 6 ALA HA 1 1 6 3492 1 1 6 ALA HB1 H 4.310 -4.994 3.646 1.00 . A A . 6 ALA HB1 1 1 6 3493 1 1 6 ALA HB2 H 4.855 -5.616 5.201 1.00 . A A . 6 ALA HB2 1 1 6 3494 1 1 6 ALA HB3 H 5.781 -5.965 3.744 1.00 . A A . 6 ALA HB3 1 1 6 3495 1 1 6 ALA N N 5.197 -2.969 5.260 1.00 . A A . 6 ALA N 1 1 6 3496 1 1 6 ALA O O 5.536 -2.913 2.345 1.00 . A A . 6 ALA O 1 1 6 3497 1 1 7 TRP C C 7.333 -3.369 0.333 1.00 . A A . 7 TRP C 1 1 6 3498 1 1 7 TRP CA C 8.138 -2.810 1.510 1.00 . A A . 7 TRP CA 1 1 6 3499 1 1 7 TRP CB C 9.609 -3.195 1.339 1.00 . A A . 7 TRP CB 1 1 6 3500 1 1 7 TRP CD1 C 10.420 -1.825 -0.618 1.00 . A A . 7 TRP CD1 1 1 6 3501 1 1 7 TRP CD2 C 10.055 -3.977 -1.159 1.00 . A A . 7 TRP CD2 1 1 6 3502 1 1 7 TRP CE2 C 10.499 -3.335 -2.338 1.00 . A A . 7 TRP CE2 1 1 6 3503 1 1 7 TRP CE3 C 9.751 -5.349 -1.223 1.00 . A A . 7 TRP CE3 1 1 6 3504 1 1 7 TRP CG C 10.016 -2.997 -0.083 1.00 . A A . 7 TRP CG 1 1 6 3505 1 1 7 TRP CH2 C 10.330 -5.395 -3.587 1.00 . A A . 7 TRP CH2 1 1 6 3506 1 1 7 TRP CZ2 C 10.636 -4.030 -3.541 1.00 . A A . 7 TRP CZ2 1 1 6 3507 1 1 7 TRP CZ3 C 9.888 -6.051 -2.431 1.00 . A A . 7 TRP CZ3 1 1 6 3508 1 1 7 TRP H H 8.293 -3.723 3.444 1.00 . A A . 7 TRP H 1 1 6 3509 1 1 7 TRP HA H 8.057 -1.736 1.520 1.00 . A A . 7 TRP HA 1 1 6 3510 1 1 7 TRP HB2 H 10.220 -2.573 1.978 1.00 . A A . 7 TRP HB2 1 1 6 3511 1 1 7 TRP HB3 H 9.744 -4.232 1.611 1.00 . A A . 7 TRP HB3 1 1 6 3512 1 1 7 TRP HD1 H 10.502 -0.891 -0.085 1.00 . A A . 7 TRP HD1 1 1 6 3513 1 1 7 TRP HE1 H 11.022 -1.330 -2.576 1.00 . A A . 7 TRP HE1 1 1 6 3514 1 1 7 TRP HE3 H 9.410 -5.865 -0.337 1.00 . A A . 7 TRP HE3 1 1 6 3515 1 1 7 TRP HH2 H 10.432 -5.941 -4.514 1.00 . A A . 7 TRP HH2 1 1 6 3516 1 1 7 TRP HZ2 H 10.977 -3.519 -4.428 1.00 . A A . 7 TRP HZ2 1 1 6 3517 1 1 7 TRP HZ3 H 9.652 -7.104 -2.468 1.00 . A A . 7 TRP HZ3 1 1 6 3518 1 1 7 TRP N N 7.647 -3.360 2.804 1.00 . A A . 7 TRP N 1 1 6 3519 1 1 7 TRP NE1 N 10.709 -2.023 -1.958 1.00 . A A . 7 TRP NE1 1 1 6 3520 1 1 7 TRP O O 7.148 -4.564 0.202 1.00 . A A . 7 TRP O 1 1 6 3521 1 1 8 CYS C C 6.924 -2.542 -2.987 1.00 . A A . 8 CYS C 1 1 6 3522 1 1 8 CYS CA C 6.126 -2.949 -1.742 1.00 . A A . 8 CYS CA 1 1 6 3523 1 1 8 CYS CB C 4.744 -2.274 -1.772 1.00 . A A . 8 CYS CB 1 1 6 3524 1 1 8 CYS H H 7.078 -1.547 -0.414 1.00 . A A . 8 CYS H 1 1 6 3525 1 1 8 CYS HA H 6.003 -4.027 -1.719 1.00 . A A . 8 CYS HA 1 1 6 3526 1 1 8 CYS HB2 H 3.978 -3.032 -1.783 1.00 . A A . 8 CYS HB2 1 1 6 3527 1 1 8 CYS HB3 H 4.624 -1.655 -0.892 1.00 . A A . 8 CYS HB3 1 1 6 3528 1 1 8 CYS N N 6.888 -2.501 -0.539 1.00 . A A . 8 CYS N 1 1 6 3529 1 1 8 CYS O O 7.674 -1.586 -2.963 1.00 . A A . 8 CYS O 1 1 6 3530 1 1 8 CYS SG S 4.579 -1.249 -3.258 1.00 . A A . 8 CYS SG 1 1 6 3531 1 1 9 LYS C C 6.630 -1.992 -6.183 1.00 . A A . 9 LYS C 1 1 6 3532 1 1 9 LYS CA C 7.520 -2.885 -5.310 1.00 . A A . 9 LYS CA 1 1 6 3533 1 1 9 LYS CB C 7.906 -4.167 -6.069 1.00 . A A . 9 LYS CB 1 1 6 3534 1 1 9 LYS CD C 8.892 -3.576 -8.310 1.00 . A A . 9 LYS CD 1 1 6 3535 1 1 9 LYS CE C 10.153 -3.021 -8.976 1.00 . A A . 9 LYS CE 1 1 6 3536 1 1 9 LYS CG C 9.210 -3.949 -6.861 1.00 . A A . 9 LYS CG 1 1 6 3537 1 1 9 LYS H H 6.155 -4.010 -4.078 1.00 . A A . 9 LYS H 1 1 6 3538 1 1 9 LYS HA H 8.411 -2.339 -5.038 1.00 . A A . 9 LYS HA 1 1 6 3539 1 1 9 LYS HB2 H 8.051 -4.968 -5.356 1.00 . A A . 9 LYS HB2 1 1 6 3540 1 1 9 LYS HB3 H 7.112 -4.437 -6.749 1.00 . A A . 9 LYS HB3 1 1 6 3541 1 1 9 LYS HD2 H 8.559 -4.455 -8.844 1.00 . A A . 9 LYS HD2 1 1 6 3542 1 1 9 LYS HD3 H 8.116 -2.826 -8.331 1.00 . A A . 9 LYS HD3 1 1 6 3543 1 1 9 LYS HE2 H 10.354 -2.030 -8.592 1.00 . A A . 9 LYS HE2 1 1 6 3544 1 1 9 LYS HE3 H 10.991 -3.667 -8.759 1.00 . A A . 9 LYS HE3 1 1 6 3545 1 1 9 LYS HG2 H 9.787 -3.158 -6.406 1.00 . A A . 9 LYS HG2 1 1 6 3546 1 1 9 LYS HG3 H 9.788 -4.861 -6.850 1.00 . A A . 9 LYS HG3 1 1 6 3547 1 1 9 LYS HZ1 H 10.153 -3.873 -10.874 1.00 . A A . 9 LYS HZ1 1 1 6 3548 1 1 9 LYS HZ2 H 10.582 -2.232 -10.855 1.00 . A A . 9 LYS HZ2 1 1 6 3549 1 1 9 LYS HZ3 H 8.957 -2.688 -10.647 1.00 . A A . 9 LYS HZ3 1 1 6 3550 1 1 9 LYS N N 6.768 -3.247 -4.072 1.00 . A A . 9 LYS N 1 1 6 3551 1 1 9 LYS NZ N 9.945 -2.948 -10.449 1.00 . A A . 9 LYS NZ 1 1 6 3552 1 1 9 LYS O O 7.106 -1.202 -6.974 1.00 . A A . 9 LYS O 1 1 6 3553 1 1 10 GLU C C 3.009 -1.335 -6.221 1.00 . A A . 10 GLU C 1 1 6 3554 1 1 10 GLU CA C 4.409 -1.265 -6.833 1.00 . A A . 10 GLU CA 1 1 6 3555 1 1 10 GLU CB C 4.361 -1.763 -8.280 1.00 . A A . 10 GLU CB 1 1 6 3556 1 1 10 GLU CD C 4.274 -3.779 -9.749 1.00 . A A . 10 GLU CD 1 1 6 3557 1 1 10 GLU CG C 4.358 -3.291 -8.300 1.00 . A A . 10 GLU CG 1 1 6 3558 1 1 10 GLU H H 4.982 -2.745 -5.378 1.00 . A A . 10 GLU H 1 1 6 3559 1 1 10 GLU HA H 4.754 -0.241 -6.818 1.00 . A A . 10 GLU HA 1 1 6 3560 1 1 10 GLU HB2 H 3.465 -1.396 -8.759 1.00 . A A . 10 GLU HB2 1 1 6 3561 1 1 10 GLU HB3 H 5.223 -1.401 -8.812 1.00 . A A . 10 GLU HB3 1 1 6 3562 1 1 10 GLU HG2 H 5.268 -3.659 -7.851 1.00 . A A . 10 GLU HG2 1 1 6 3563 1 1 10 GLU HG3 H 3.505 -3.658 -7.747 1.00 . A A . 10 GLU HG3 1 1 6 3564 1 1 10 GLU N N 5.339 -2.108 -6.031 1.00 . A A . 10 GLU N 1 1 6 3565 1 1 10 GLU O O 2.813 -1.878 -5.152 1.00 . A A . 10 GLU O 1 1 6 3566 1 1 10 GLU OE1 O 3.461 -3.244 -10.485 1.00 . A A . 10 GLU OE1 1 1 6 3567 1 1 10 GLU OE2 O 5.023 -4.677 -10.096 1.00 . A A . 10 GLU OE2 1 1 6 3568 1 1 11 LYS C C 0.198 -2.271 -6.180 1.00 . A A . 11 LYS C 1 1 6 3569 1 1 11 LYS CA C 0.645 -0.816 -6.347 1.00 . A A . 11 LYS CA 1 1 6 3570 1 1 11 LYS CB C -0.288 -0.117 -7.338 1.00 . A A . 11 LYS CB 1 1 6 3571 1 1 11 LYS CD C -2.675 0.493 -7.822 1.00 . A A . 11 LYS CD 1 1 6 3572 1 1 11 LYS CE C -2.470 1.993 -8.060 1.00 . A A . 11 LYS CE 1 1 6 3573 1 1 11 LYS CG C -1.701 -0.020 -6.750 1.00 . A A . 11 LYS CG 1 1 6 3574 1 1 11 LYS H H 2.223 -0.355 -7.751 1.00 . A A . 11 LYS H 1 1 6 3575 1 1 11 LYS HA H 0.612 -0.310 -5.394 1.00 . A A . 11 LYS HA 1 1 6 3576 1 1 11 LYS HB2 H 0.090 0.875 -7.534 1.00 . A A . 11 LYS HB2 1 1 6 3577 1 1 11 LYS HB3 H -0.319 -0.679 -8.258 1.00 . A A . 11 LYS HB3 1 1 6 3578 1 1 11 LYS HD2 H -2.505 -0.042 -8.745 1.00 . A A . 11 LYS HD2 1 1 6 3579 1 1 11 LYS HD3 H -3.690 0.320 -7.493 1.00 . A A . 11 LYS HD3 1 1 6 3580 1 1 11 LYS HE2 H -2.666 2.534 -7.145 1.00 . A A . 11 LYS HE2 1 1 6 3581 1 1 11 LYS HE3 H -1.454 2.176 -8.376 1.00 . A A . 11 LYS HE3 1 1 6 3582 1 1 11 LYS HG2 H -2.020 -0.996 -6.413 1.00 . A A . 11 LYS HG2 1 1 6 3583 1 1 11 LYS HG3 H -1.696 0.665 -5.916 1.00 . A A . 11 LYS HG3 1 1 6 3584 1 1 11 LYS HZ1 H -3.668 1.653 -9.730 1.00 . A A . 11 LYS HZ1 1 1 6 3585 1 1 11 LYS HZ2 H -2.949 3.189 -9.699 1.00 . A A . 11 LYS HZ2 1 1 6 3586 1 1 11 LYS HZ3 H -4.266 2.848 -8.681 1.00 . A A . 11 LYS HZ3 1 1 6 3587 1 1 11 LYS N N 2.037 -0.788 -6.889 1.00 . A A . 11 LYS N 1 1 6 3588 1 1 11 LYS NZ N -3.409 2.456 -9.122 1.00 . A A . 11 LYS NZ 1 1 6 3589 1 1 11 LYS O O -0.363 -2.651 -5.171 1.00 . A A . 11 LYS O 1 1 6 3590 1 1 12 LYS C C 0.928 -5.262 -6.076 1.00 . A A . 12 LYS C 1 1 6 3591 1 1 12 LYS CA C 0.055 -4.519 -7.096 1.00 . A A . 12 LYS CA 1 1 6 3592 1 1 12 LYS CB C 0.224 -5.151 -8.489 1.00 . A A . 12 LYS CB 1 1 6 3593 1 1 12 LYS CD C -1.338 -7.036 -7.912 1.00 . A A . 12 LYS CD 1 1 6 3594 1 1 12 LYS CE C -1.569 -8.543 -8.068 1.00 . A A . 12 LYS CE 1 1 6 3595 1 1 12 LYS CG C 0.064 -6.675 -8.412 1.00 . A A . 12 LYS CG 1 1 6 3596 1 1 12 LYS H H 0.905 -2.745 -7.966 1.00 . A A . 12 LYS H 1 1 6 3597 1 1 12 LYS HA H -0.981 -4.585 -6.799 1.00 . A A . 12 LYS HA 1 1 6 3598 1 1 12 LYS HB2 H -0.523 -4.746 -9.158 1.00 . A A . 12 LYS HB2 1 1 6 3599 1 1 12 LYS HB3 H 1.207 -4.915 -8.870 1.00 . A A . 12 LYS HB3 1 1 6 3600 1 1 12 LYS HD2 H -1.427 -6.771 -6.869 1.00 . A A . 12 LYS HD2 1 1 6 3601 1 1 12 LYS HD3 H -2.079 -6.498 -8.484 1.00 . A A . 12 LYS HD3 1 1 6 3602 1 1 12 LYS HE2 H -2.630 -8.740 -8.138 1.00 . A A . 12 LYS HE2 1 1 6 3603 1 1 12 LYS HE3 H -1.079 -8.899 -8.961 1.00 . A A . 12 LYS HE3 1 1 6 3604 1 1 12 LYS HG2 H 0.210 -7.093 -9.399 1.00 . A A . 12 LYS HG2 1 1 6 3605 1 1 12 LYS HG3 H 0.801 -7.086 -7.741 1.00 . A A . 12 LYS HG3 1 1 6 3606 1 1 12 LYS HZ1 H -1.396 -10.216 -6.839 1.00 . A A . 12 LYS HZ1 1 1 6 3607 1 1 12 LYS HZ2 H -1.277 -8.738 -6.016 1.00 . A A . 12 LYS HZ2 1 1 6 3608 1 1 12 LYS HZ3 H 0.025 -9.292 -6.957 1.00 . A A . 12 LYS HZ3 1 1 6 3609 1 1 12 LYS N N 0.450 -3.082 -7.167 1.00 . A A . 12 LYS N 1 1 6 3610 1 1 12 LYS NZ N -1.012 -9.251 -6.880 1.00 . A A . 12 LYS NZ 1 1 6 3611 1 1 12 LYS O O 0.542 -6.287 -5.551 1.00 . A A . 12 LYS O 1 1 6 3612 1 1 13 ASP C C 2.466 -5.521 -3.453 1.00 . A A . 13 ASP C 1 1 6 3613 1 1 13 ASP CA C 3.032 -5.481 -4.877 1.00 . A A . 13 ASP CA 1 1 6 3614 1 1 13 ASP CB C 4.393 -4.789 -4.856 1.00 . A A . 13 ASP CB 1 1 6 3615 1 1 13 ASP CG C 5.462 -5.782 -4.388 1.00 . A A . 13 ASP CG 1 1 6 3616 1 1 13 ASP H H 2.416 -3.966 -6.282 1.00 . A A . 13 ASP H 1 1 6 3617 1 1 13 ASP HA H 3.165 -6.497 -5.223 1.00 . A A . 13 ASP HA 1 1 6 3618 1 1 13 ASP HB2 H 4.634 -4.439 -5.847 1.00 . A A . 13 ASP HB2 1 1 6 3619 1 1 13 ASP HB3 H 4.359 -3.953 -4.174 1.00 . A A . 13 ASP HB3 1 1 6 3620 1 1 13 ASP N N 2.114 -4.776 -5.824 1.00 . A A . 13 ASP N 1 1 6 3621 1 1 13 ASP O O 2.908 -6.310 -2.645 1.00 . A A . 13 ASP O 1 1 6 3622 1 1 13 ASP OD1 O 5.597 -6.816 -5.020 1.00 . A A . 13 ASP OD1 1 1 6 3623 1 1 13 ASP OD2 O 6.127 -5.493 -3.410 1.00 . A A . 13 ASP OD2 1 1 6 3624 1 1 14 CYS C C -0.059 -5.890 -1.680 1.00 . A A . 14 CYS C 1 1 6 3625 1 1 14 CYS CA C 0.983 -4.774 -1.732 1.00 . A A . 14 CYS CA 1 1 6 3626 1 1 14 CYS CB C 0.342 -3.440 -1.357 1.00 . A A . 14 CYS CB 1 1 6 3627 1 1 14 CYS H H 1.132 -4.058 -3.736 1.00 . A A . 14 CYS H 1 1 6 3628 1 1 14 CYS HA H 1.790 -4.997 -1.046 1.00 . A A . 14 CYS HA 1 1 6 3629 1 1 14 CYS HB2 H -0.277 -3.100 -2.175 1.00 . A A . 14 CYS HB2 1 1 6 3630 1 1 14 CYS HB3 H -0.259 -3.573 -0.499 1.00 . A A . 14 CYS HB3 1 1 6 3631 1 1 14 CYS N N 1.506 -4.704 -3.109 1.00 . A A . 14 CYS N 1 1 6 3632 1 1 14 CYS O O -1.012 -5.903 -2.432 1.00 . A A . 14 CYS O 1 1 6 3633 1 1 14 CYS SG S 1.626 -2.203 -1.030 1.00 . A A . 14 CYS SG 1 1 6 3634 1 1 15 CYS C C -2.210 -7.551 -0.477 1.00 . A A . 15 CYS C 1 1 6 3635 1 1 15 CYS CA C -0.786 -8.008 -0.735 1.00 . A A . 15 CYS CA 1 1 6 3636 1 1 15 CYS CB C -0.353 -8.926 0.419 1.00 . A A . 15 CYS CB 1 1 6 3637 1 1 15 CYS H H 0.946 -6.828 -0.256 1.00 . A A . 15 CYS H 1 1 6 3638 1 1 15 CYS HA H -0.757 -8.565 -1.661 1.00 . A A . 15 CYS HA 1 1 6 3639 1 1 15 CYS HB2 H 0.617 -8.622 0.775 1.00 . A A . 15 CYS HB2 1 1 6 3640 1 1 15 CYS HB3 H -1.065 -8.851 1.227 1.00 . A A . 15 CYS HB3 1 1 6 3641 1 1 15 CYS N N 0.149 -6.851 -0.825 1.00 . A A . 15 CYS N 1 1 6 3642 1 1 15 CYS O O -2.514 -6.376 -0.437 1.00 . A A . 15 CYS O 1 1 6 3643 1 1 15 CYS SG S -0.282 -10.642 -0.155 1.00 . A A . 15 CYS SG 1 1 6 3644 1 1 16 CYS C C -4.922 -6.870 -0.399 1.00 . A A . 16 CYS C 1 1 6 3645 1 1 16 CYS CA C -4.479 -8.245 0.084 1.00 . A A . 16 CYS CA 1 1 6 3646 1 1 16 CYS CB C -4.593 -8.356 1.598 1.00 . A A . 16 CYS CB 1 1 6 3647 1 1 16 CYS H H -2.739 -9.425 -0.244 1.00 . A A . 16 CYS H 1 1 6 3648 1 1 16 CYS HA H -5.116 -8.978 -0.358 1.00 . A A . 16 CYS HA 1 1 6 3649 1 1 16 CYS HB2 H -3.750 -8.920 1.970 1.00 . A A . 16 CYS HB2 1 1 6 3650 1 1 16 CYS HB3 H -4.574 -7.382 2.021 1.00 . A A . 16 CYS HB3 1 1 6 3651 1 1 16 CYS N N -3.059 -8.511 -0.246 1.00 . A A . 16 CYS N 1 1 6 3652 1 1 16 CYS O O -4.540 -6.398 -1.450 1.00 . A A . 16 CYS O 1 1 6 3653 1 1 16 CYS SG S -6.117 -9.212 2.063 1.00 . A A . 16 CYS SG 1 1 6 3654 1 1 17 GLY C C -5.327 -3.849 0.581 1.00 . A A . 17 GLY C 1 1 6 3655 1 1 17 GLY CA C -6.268 -4.905 0.024 1.00 . A A . 17 GLY CA 1 1 6 3656 1 1 17 GLY H H -6.014 -6.682 1.190 1.00 . A A . 17 GLY H 1 1 6 3657 1 1 17 GLY HA2 H -6.330 -4.809 -1.050 1.00 . A A . 17 GLY HA2 1 1 6 3658 1 1 17 GLY HA3 H -7.246 -4.774 0.455 1.00 . A A . 17 GLY HA3 1 1 6 3659 1 1 17 GLY N N -5.740 -6.250 0.372 1.00 . A A . 17 GLY N 1 1 6 3660 1 1 17 GLY O O -5.728 -2.755 0.924 1.00 . A A . 17 GLY O 1 1 6 3661 1 1 18 TYR C C -2.670 -2.261 0.088 1.00 . A A . 18 TYR C 1 1 6 3662 1 1 18 TYR CA C -3.087 -3.201 1.218 1.00 . A A . 18 TYR CA 1 1 6 3663 1 1 18 TYR CB C -1.842 -3.951 1.705 1.00 . A A . 18 TYR CB 1 1 6 3664 1 1 18 TYR CD1 C -2.058 -4.198 4.196 1.00 . A A . 18 TYR CD1 1 1 6 3665 1 1 18 TYR CD2 C -2.512 -6.116 2.798 1.00 . A A . 18 TYR CD2 1 1 6 3666 1 1 18 TYR CE1 C -2.330 -4.966 5.334 1.00 . A A . 18 TYR CE1 1 1 6 3667 1 1 18 TYR CE2 C -2.785 -6.883 3.935 1.00 . A A . 18 TYR CE2 1 1 6 3668 1 1 18 TYR CG C -2.148 -4.775 2.929 1.00 . A A . 18 TYR CG 1 1 6 3669 1 1 18 TYR CZ C -2.697 -6.305 5.202 1.00 . A A . 18 TYR CZ 1 1 6 3670 1 1 18 TYR H H -3.762 -5.112 0.374 1.00 . A A . 18 TYR H 1 1 6 3671 1 1 18 TYR HA H -3.520 -2.636 2.026 1.00 . A A . 18 TYR HA 1 1 6 3672 1 1 18 TYR HB2 H -1.492 -4.604 0.923 1.00 . A A . 18 TYR HB2 1 1 6 3673 1 1 18 TYR HB3 H -1.075 -3.237 1.944 1.00 . A A . 18 TYR HB3 1 1 6 3674 1 1 18 TYR HD1 H -1.777 -3.162 4.299 1.00 . A A . 18 TYR HD1 1 1 6 3675 1 1 18 TYR HD2 H -2.579 -6.559 1.818 1.00 . A A . 18 TYR HD2 1 1 6 3676 1 1 18 TYR HE1 H -2.266 -4.521 6.310 1.00 . A A . 18 TYR HE1 1 1 6 3677 1 1 18 TYR HE2 H -3.067 -7.920 3.834 1.00 . A A . 18 TYR HE2 1 1 6 3678 1 1 18 TYR HH H -2.465 -7.878 6.264 1.00 . A A . 18 TYR HH 1 1 6 3679 1 1 18 TYR N N -4.074 -4.177 0.675 1.00 . A A . 18 TYR N 1 1 6 3680 1 1 18 TYR O O -2.413 -2.691 -1.019 1.00 . A A . 18 TYR O 1 1 6 3681 1 1 18 TYR OH O -2.966 -7.060 6.326 1.00 . A A . 18 TYR OH 1 1 6 3682 1 1 19 ASN C C -0.733 0.321 -0.596 1.00 . A A . 19 ASN C 1 1 6 3683 1 1 19 ASN CA C -2.210 -0.032 -0.745 1.00 . A A . 19 ASN CA 1 1 6 3684 1 1 19 ASN CB C -3.045 1.248 -0.657 1.00 . A A . 19 ASN CB 1 1 6 3685 1 1 19 ASN CG C -2.522 2.114 0.488 1.00 . A A . 19 ASN CG 1 1 6 3686 1 1 19 ASN H H -2.825 -0.633 1.248 1.00 . A A . 19 ASN H 1 1 6 3687 1 1 19 ASN HA H -2.371 -0.499 -1.705 1.00 . A A . 19 ASN HA 1 1 6 3688 1 1 19 ASN HB2 H -2.969 1.789 -1.588 1.00 . A A . 19 ASN HB2 1 1 6 3689 1 1 19 ASN HB3 H -4.079 0.991 -0.470 1.00 . A A . 19 ASN HB3 1 1 6 3690 1 1 19 ASN HD21 H -2.880 3.826 -0.451 1.00 . A A . 19 ASN HD21 1 1 6 3691 1 1 19 ASN HD22 H -2.204 3.975 1.097 1.00 . A A . 19 ASN HD22 1 1 6 3692 1 1 19 ASN N N -2.607 -0.976 0.344 1.00 . A A . 19 ASN N 1 1 6 3693 1 1 19 ASN ND2 N -2.538 3.413 0.369 1.00 . A A . 19 ASN ND2 1 1 6 3694 1 1 19 ASN O O -0.205 0.359 0.491 1.00 . A A . 19 ASN O 1 1 6 3695 1 1 19 ASN OD1 O -2.074 1.604 1.490 1.00 . A A . 19 ASN OD1 1 1 6 3696 1 1 20 CYS C C 1.552 2.446 -1.459 1.00 . A A . 20 CYS C 1 1 6 3697 1 1 20 CYS CA C 1.384 0.932 -1.590 1.00 . A A . 20 CYS CA 1 1 6 3698 1 1 20 CYS CB C 2.101 0.449 -2.850 1.00 . A A . 20 CYS CB 1 1 6 3699 1 1 20 CYS H H -0.504 0.549 -2.555 1.00 . A A . 20 CYS H 1 1 6 3700 1 1 20 CYS HA H 1.822 0.452 -0.727 1.00 . A A . 20 CYS HA 1 1 6 3701 1 1 20 CYS HB2 H 1.807 -0.565 -3.071 1.00 . A A . 20 CYS HB2 1 1 6 3702 1 1 20 CYS HB3 H 1.840 1.088 -3.679 1.00 . A A . 20 CYS HB3 1 1 6 3703 1 1 20 CYS N N -0.061 0.582 -1.681 1.00 . A A . 20 CYS N 1 1 6 3704 1 1 20 CYS O O 1.057 3.211 -2.263 1.00 . A A . 20 CYS O 1 1 6 3705 1 1 20 CYS SG S 3.887 0.519 -2.576 1.00 . A A . 20 CYS SG 1 1 6 3706 1 1 21 VAL C C 3.997 4.588 -0.284 1.00 . A A . 21 VAL C 1 1 6 3707 1 1 21 VAL CA C 2.490 4.334 -0.246 1.00 . A A . 21 VAL CA 1 1 6 3708 1 1 21 VAL CB C 1.930 4.749 1.118 1.00 . A A . 21 VAL CB 1 1 6 3709 1 1 21 VAL CG1 C 2.170 6.243 1.341 1.00 . A A . 21 VAL CG1 1 1 6 3710 1 1 21 VAL CG2 C 0.426 4.462 1.159 1.00 . A A . 21 VAL CG2 1 1 6 3711 1 1 21 VAL H H 2.652 2.230 0.177 1.00 . A A . 21 VAL H 1 1 6 3712 1 1 21 VAL HA H 2.004 4.900 -1.028 1.00 . A A . 21 VAL HA 1 1 6 3713 1 1 21 VAL HB H 2.426 4.184 1.894 1.00 . A A . 21 VAL HB 1 1 6 3714 1 1 21 VAL HG11 H 1.568 6.583 2.171 1.00 . A A . 21 VAL HG11 1 1 6 3715 1 1 21 VAL HG12 H 1.896 6.790 0.451 1.00 . A A . 21 VAL HG12 1 1 6 3716 1 1 21 VAL HG13 H 3.213 6.412 1.561 1.00 . A A . 21 VAL HG13 1 1 6 3717 1 1 21 VAL HG21 H -0.024 5.019 1.966 1.00 . A A . 21 VAL HG21 1 1 6 3718 1 1 21 VAL HG22 H 0.266 3.407 1.316 1.00 . A A . 21 VAL HG22 1 1 6 3719 1 1 21 VAL HG23 H -0.023 4.758 0.222 1.00 . A A . 21 VAL HG23 1 1 6 3720 1 1 21 VAL N N 2.260 2.875 -0.451 1.00 . A A . 21 VAL N 1 1 6 3721 1 1 21 VAL O O 4.763 3.901 0.361 1.00 . A A . 21 VAL O 1 1 6 3722 1 1 22 TYR C C 6.339 6.572 0.143 1.00 . A A . 22 TYR C 1 1 6 3723 1 1 22 TYR CA C 5.904 5.807 -1.112 1.00 . A A . 22 TYR CA 1 1 6 3724 1 1 22 TYR CB C 6.207 6.633 -2.366 1.00 . A A . 22 TYR CB 1 1 6 3725 1 1 22 TYR CD1 C 8.036 5.304 -3.470 1.00 . A A . 22 TYR CD1 1 1 6 3726 1 1 22 TYR CD2 C 8.604 7.420 -2.432 1.00 . A A . 22 TYR CD2 1 1 6 3727 1 1 22 TYR CE1 C 9.370 5.129 -3.848 1.00 . A A . 22 TYR CE1 1 1 6 3728 1 1 22 TYR CE2 C 9.940 7.245 -2.813 1.00 . A A . 22 TYR CE2 1 1 6 3729 1 1 22 TYR CG C 7.652 6.450 -2.761 1.00 . A A . 22 TYR CG 1 1 6 3730 1 1 22 TYR CZ C 10.323 6.098 -3.520 1.00 . A A . 22 TYR CZ 1 1 6 3731 1 1 22 TYR H H 3.782 6.129 -1.584 1.00 . A A . 22 TYR H 1 1 6 3732 1 1 22 TYR HA H 6.431 4.864 -1.162 1.00 . A A . 22 TYR HA 1 1 6 3733 1 1 22 TYR HB2 H 5.568 6.306 -3.175 1.00 . A A . 22 TYR HB2 1 1 6 3734 1 1 22 TYR HB3 H 6.019 7.679 -2.161 1.00 . A A . 22 TYR HB3 1 1 6 3735 1 1 22 TYR HD1 H 7.301 4.554 -3.723 1.00 . A A . 22 TYR HD1 1 1 6 3736 1 1 22 TYR HD2 H 8.309 8.303 -1.885 1.00 . A A . 22 TYR HD2 1 1 6 3737 1 1 22 TYR HE1 H 9.665 4.244 -4.394 1.00 . A A . 22 TYR HE1 1 1 6 3738 1 1 22 TYR HE2 H 10.677 7.993 -2.558 1.00 . A A . 22 TYR HE2 1 1 6 3739 1 1 22 TYR HH H 11.649 5.718 -4.837 1.00 . A A . 22 TYR HH 1 1 6 3740 1 1 22 TYR N N 4.438 5.551 -1.041 1.00 . A A . 22 TYR N 1 1 6 3741 1 1 22 TYR O O 5.834 7.639 0.435 1.00 . A A . 22 TYR O 1 1 6 3742 1 1 22 TYR OH O 11.637 5.926 -3.899 1.00 . A A . 22 TYR OH 1 1 6 3743 1 1 23 ALA C C 9.027 7.489 1.859 1.00 . A A . 23 ALA C 1 1 6 3744 1 1 23 ALA CA C 7.731 6.723 2.134 1.00 . A A . 23 ALA CA 1 1 6 3745 1 1 23 ALA CB C 7.975 5.683 3.232 1.00 . A A . 23 ALA CB 1 1 6 3746 1 1 23 ALA H H 7.655 5.169 0.640 1.00 . A A . 23 ALA H 1 1 6 3747 1 1 23 ALA HA H 6.970 7.417 2.466 1.00 . A A . 23 ALA HA 1 1 6 3748 1 1 23 ALA HB1 H 8.133 6.187 4.176 1.00 . A A . 23 ALA HB1 1 1 6 3749 1 1 23 ALA HB2 H 8.851 5.100 2.987 1.00 . A A . 23 ALA HB2 1 1 6 3750 1 1 23 ALA HB3 H 7.118 5.031 3.310 1.00 . A A . 23 ALA HB3 1 1 6 3751 1 1 23 ALA N N 7.268 6.033 0.892 1.00 . A A . 23 ALA N 1 1 6 3752 1 1 23 ALA O O 10.113 6.970 2.033 1.00 . A A . 23 ALA O 1 1 6 3753 1 1 24 TRP C C 11.102 9.434 2.363 1.00 . A A . 24 TRP C 1 1 6 3754 1 1 24 TRP CA C 10.159 9.515 1.157 1.00 . A A . 24 TRP CA 1 1 6 3755 1 1 24 TRP CB C 9.792 10.985 0.894 1.00 . A A . 24 TRP CB 1 1 6 3756 1 1 24 TRP CD1 C 8.034 11.486 2.638 1.00 . A A . 24 TRP CD1 1 1 6 3757 1 1 24 TRP CD2 C 7.176 11.346 0.563 1.00 . A A . 24 TRP CD2 1 1 6 3758 1 1 24 TRP CE2 C 6.095 11.631 1.432 1.00 . A A . 24 TRP CE2 1 1 6 3759 1 1 24 TRP CE3 C 6.906 11.208 -0.810 1.00 . A A . 24 TRP CE3 1 1 6 3760 1 1 24 TRP CG C 8.396 11.258 1.356 1.00 . A A . 24 TRP CG 1 1 6 3761 1 1 24 TRP CH2 C 4.541 11.634 -0.413 1.00 . A A . 24 TRP CH2 1 1 6 3762 1 1 24 TRP CZ2 C 4.792 11.774 0.955 1.00 . A A . 24 TRP CZ2 1 1 6 3763 1 1 24 TRP CZ3 C 5.595 11.351 -1.293 1.00 . A A . 24 TRP CZ3 1 1 6 3764 1 1 24 TRP H H 8.045 9.123 1.305 1.00 . A A . 24 TRP H 1 1 6 3765 1 1 24 TRP HA H 10.658 9.108 0.288 1.00 . A A . 24 TRP HA 1 1 6 3766 1 1 24 TRP HB2 H 10.476 11.633 1.425 1.00 . A A . 24 TRP HB2 1 1 6 3767 1 1 24 TRP HB3 H 9.862 11.188 -0.164 1.00 . A A . 24 TRP HB3 1 1 6 3768 1 1 24 TRP HD1 H 8.702 11.491 3.487 1.00 . A A . 24 TRP HD1 1 1 6 3769 1 1 24 TRP HE1 H 6.155 11.893 3.499 1.00 . A A . 24 TRP HE1 1 1 6 3770 1 1 24 TRP HE3 H 7.710 10.990 -1.496 1.00 . A A . 24 TRP HE3 1 1 6 3771 1 1 24 TRP HH2 H 3.534 11.744 -0.790 1.00 . A A . 24 TRP HH2 1 1 6 3772 1 1 24 TRP HZ2 H 3.984 11.991 1.637 1.00 . A A . 24 TRP HZ2 1 1 6 3773 1 1 24 TRP HZ3 H 5.397 11.244 -2.350 1.00 . A A . 24 TRP HZ3 1 1 6 3774 1 1 24 TRP N N 8.928 8.719 1.434 1.00 . A A . 24 TRP N 1 1 6 3775 1 1 24 TRP NE1 N 6.670 11.706 2.686 1.00 . A A . 24 TRP NE1 1 1 6 3776 1 1 24 TRP O O 12.225 9.899 2.317 1.00 . A A . 24 TRP O 1 1 6 3777 1 1 25 TYR C C 12.812 8.006 4.304 1.00 . A A . 25 TYR C 1 1 6 3778 1 1 25 TYR CA C 11.525 8.762 4.650 1.00 . A A . 25 TYR CA 1 1 6 3779 1 1 25 TYR CB C 10.777 8.010 5.763 1.00 . A A . 25 TYR CB 1 1 6 3780 1 1 25 TYR CD1 C 8.906 9.548 6.476 1.00 . A A . 25 TYR CD1 1 1 6 3781 1 1 25 TYR CD2 C 10.861 9.343 7.895 1.00 . A A . 25 TYR CD2 1 1 6 3782 1 1 25 TYR CE1 C 8.345 10.457 7.382 1.00 . A A . 25 TYR CE1 1 1 6 3783 1 1 25 TYR CE2 C 10.301 10.250 8.800 1.00 . A A . 25 TYR CE2 1 1 6 3784 1 1 25 TYR CG C 10.164 8.993 6.733 1.00 . A A . 25 TYR CG 1 1 6 3785 1 1 25 TYR CZ C 9.042 10.807 8.544 1.00 . A A . 25 TYR CZ 1 1 6 3786 1 1 25 TYR H H 9.701 8.467 3.466 1.00 . A A . 25 TYR H 1 1 6 3787 1 1 25 TYR HA H 11.774 9.757 4.990 1.00 . A A . 25 TYR HA 1 1 6 3788 1 1 25 TYR HB2 H 9.994 7.409 5.324 1.00 . A A . 25 TYR HB2 1 1 6 3789 1 1 25 TYR HB3 H 11.465 7.368 6.294 1.00 . A A . 25 TYR HB3 1 1 6 3790 1 1 25 TYR HD1 H 8.368 9.278 5.581 1.00 . A A . 25 TYR HD1 1 1 6 3791 1 1 25 TYR HD2 H 11.834 8.913 8.092 1.00 . A A . 25 TYR HD2 1 1 6 3792 1 1 25 TYR HE1 H 7.373 10.887 7.186 1.00 . A A . 25 TYR HE1 1 1 6 3793 1 1 25 TYR HE2 H 10.838 10.521 9.700 1.00 . A A . 25 TYR HE2 1 1 6 3794 1 1 25 TYR HH H 8.547 11.316 10.318 1.00 . A A . 25 TYR HH 1 1 6 3795 1 1 25 TYR N N 10.655 8.857 3.446 1.00 . A A . 25 TYR N 1 1 6 3796 1 1 25 TYR O O 13.899 8.426 4.651 1.00 . A A . 25 TYR O 1 1 6 3797 1 1 25 TYR OH O 8.487 11.700 9.439 1.00 . A A . 25 TYR OH 1 1 6 3798 1 1 26 ASN C C 13.726 5.406 1.944 1.00 . A A . 26 ASN C 1 1 6 3799 1 1 26 ASN CA C 13.929 6.122 3.281 1.00 . A A . 26 ASN CA 1 1 6 3800 1 1 26 ASN CB C 14.209 5.092 4.380 1.00 . A A . 26 ASN CB 1 1 6 3801 1 1 26 ASN CG C 12.928 4.316 4.694 1.00 . A A . 26 ASN CG 1 1 6 3802 1 1 26 ASN H H 11.821 6.566 3.361 1.00 . A A . 26 ASN H 1 1 6 3803 1 1 26 ASN HA H 14.770 6.795 3.200 1.00 . A A . 26 ASN HA 1 1 6 3804 1 1 26 ASN HB2 H 14.974 4.406 4.047 1.00 . A A . 26 ASN HB2 1 1 6 3805 1 1 26 ASN HB3 H 14.545 5.602 5.274 1.00 . A A . 26 ASN HB3 1 1 6 3806 1 1 26 ASN HD21 H 11.869 5.951 5.080 1.00 . A A . 26 ASN HD21 1 1 6 3807 1 1 26 ASN HD22 H 11.026 4.487 5.233 1.00 . A A . 26 ASN HD22 1 1 6 3808 1 1 26 ASN N N 12.704 6.894 3.631 1.00 . A A . 26 ASN N 1 1 6 3809 1 1 26 ASN ND2 N 11.851 4.972 5.030 1.00 . A A . 26 ASN ND2 1 1 6 3810 1 1 26 ASN O O 14.042 4.240 1.801 1.00 . A A . 26 ASN O 1 1 6 3811 1 1 26 ASN OD1 O 12.905 3.104 4.631 1.00 . A A . 26 ASN OD1 1 1 6 3812 1 1 27 GLN C C 12.376 4.054 -0.145 1.00 . A A . 27 GLN C 1 1 6 3813 1 1 27 GLN CA C 12.978 5.444 -0.364 1.00 . A A . 27 GLN CA 1 1 6 3814 1 1 27 GLN CB C 14.317 5.312 -1.093 1.00 . A A . 27 GLN CB 1 1 6 3815 1 1 27 GLN CD C 13.950 7.360 -2.486 1.00 . A A . 27 GLN CD 1 1 6 3816 1 1 27 GLN CG C 14.857 6.703 -1.442 1.00 . A A . 27 GLN CG 1 1 6 3817 1 1 27 GLN H H 12.951 7.031 1.097 1.00 . A A . 27 GLN H 1 1 6 3818 1 1 27 GLN HA H 12.301 6.046 -0.952 1.00 . A A . 27 GLN HA 1 1 6 3819 1 1 27 GLN HB2 H 15.025 4.800 -0.455 1.00 . A A . 27 GLN HB2 1 1 6 3820 1 1 27 GLN HB3 H 14.176 4.746 -2.001 1.00 . A A . 27 GLN HB3 1 1 6 3821 1 1 27 GLN HE21 H 13.582 8.961 -1.369 1.00 . A A . 27 GLN HE21 1 1 6 3822 1 1 27 GLN HE22 H 12.826 8.946 -2.888 1.00 . A A . 27 GLN HE22 1 1 6 3823 1 1 27 GLN HG2 H 14.883 7.313 -0.551 1.00 . A A . 27 GLN HG2 1 1 6 3824 1 1 27 GLN HG3 H 15.855 6.609 -1.843 1.00 . A A . 27 GLN HG3 1 1 6 3825 1 1 27 GLN N N 13.200 6.092 0.961 1.00 . A A . 27 GLN N 1 1 6 3826 1 1 27 GLN NE2 N 13.409 8.519 -2.227 1.00 . A A . 27 GLN NE2 1 1 6 3827 1 1 27 GLN O O 12.767 3.091 -0.774 1.00 . A A . 27 GLN O 1 1 6 3828 1 1 27 GLN OE1 O 13.738 6.815 -3.549 1.00 . A A . 27 GLN OE1 1 1 6 3829 1 1 28 GLN C C 9.290 2.718 0.786 1.00 . A A . 28 GLN C 1 1 6 3830 1 1 28 GLN CA C 10.796 2.632 1.046 1.00 . A A . 28 GLN CA 1 1 6 3831 1 1 28 GLN CB C 11.055 2.279 2.519 1.00 . A A . 28 GLN CB 1 1 6 3832 1 1 28 GLN CD C 10.316 0.860 4.442 1.00 . A A . 28 GLN CD 1 1 6 3833 1 1 28 GLN CG C 9.908 1.428 3.082 1.00 . A A . 28 GLN CG 1 1 6 3834 1 1 28 GLN H H 11.148 4.745 1.250 1.00 . A A . 28 GLN H 1 1 6 3835 1 1 28 GLN HA H 11.226 1.870 0.412 1.00 . A A . 28 GLN HA 1 1 6 3836 1 1 28 GLN HB2 H 11.982 1.729 2.598 1.00 . A A . 28 GLN HB2 1 1 6 3837 1 1 28 GLN HB3 H 11.133 3.191 3.090 1.00 . A A . 28 GLN HB3 1 1 6 3838 1 1 28 GLN HE21 H 8.744 1.619 5.392 1.00 . A A . 28 GLN HE21 1 1 6 3839 1 1 28 GLN HE22 H 9.814 0.728 6.360 1.00 . A A . 28 GLN HE22 1 1 6 3840 1 1 28 GLN HG2 H 9.026 2.041 3.199 1.00 . A A . 28 GLN HG2 1 1 6 3841 1 1 28 GLN HG3 H 9.695 0.614 2.404 1.00 . A A . 28 GLN HG3 1 1 6 3842 1 1 28 GLN N N 11.433 3.951 0.755 1.00 . A A . 28 GLN N 1 1 6 3843 1 1 28 GLN NE2 N 9.562 1.087 5.484 1.00 . A A . 28 GLN NE2 1 1 6 3844 1 1 28 GLN O O 8.645 3.686 1.135 1.00 . A A . 28 GLN O 1 1 6 3845 1 1 28 GLN OE1 O 11.338 0.214 4.562 1.00 . A A . 28 GLN OE1 1 1 6 3846 1 1 29 SER C C 6.550 0.977 1.054 1.00 . A A . 29 SER C 1 1 6 3847 1 1 29 SER CA C 7.258 1.724 -0.080 1.00 . A A . 29 SER CA 1 1 6 3848 1 1 29 SER CB C 6.990 1.023 -1.409 1.00 . A A . 29 SER CB 1 1 6 3849 1 1 29 SER H H 9.260 0.930 -0.076 1.00 . A A . 29 SER H 1 1 6 3850 1 1 29 SER HA H 6.902 2.745 -0.124 1.00 . A A . 29 SER HA 1 1 6 3851 1 1 29 SER HB2 H 6.821 -0.030 -1.248 1.00 . A A . 29 SER HB2 1 1 6 3852 1 1 29 SER HB3 H 6.118 1.457 -1.870 1.00 . A A . 29 SER HB3 1 1 6 3853 1 1 29 SER HG H 8.856 0.716 -1.863 1.00 . A A . 29 SER HG 1 1 6 3854 1 1 29 SER N N 8.723 1.707 0.187 1.00 . A A . 29 SER N 1 1 6 3855 1 1 29 SER O O 6.711 -0.214 1.213 1.00 . A A . 29 SER O 1 1 6 3856 1 1 29 SER OG O 8.118 1.188 -2.256 1.00 . A A . 29 SER OG 1 1 6 3857 1 1 30 SER C C 3.650 0.666 2.623 1.00 . A A . 30 SER C 1 1 6 3858 1 1 30 SER CA C 5.097 0.997 2.984 1.00 . A A . 30 SER CA 1 1 6 3859 1 1 30 SER CB C 5.117 1.923 4.200 1.00 . A A . 30 SER CB 1 1 6 3860 1 1 30 SER H H 5.670 2.612 1.724 1.00 . A A . 30 SER H 1 1 6 3861 1 1 30 SER HA H 5.625 0.101 3.220 1.00 . A A . 30 SER HA 1 1 6 3862 1 1 30 SER HB2 H 6.085 2.389 4.288 1.00 . A A . 30 SER HB2 1 1 6 3863 1 1 30 SER HB3 H 4.362 2.691 4.078 1.00 . A A . 30 SER HB3 1 1 6 3864 1 1 30 SER HG H 4.536 0.302 5.102 1.00 . A A . 30 SER HG 1 1 6 3865 1 1 30 SER N N 5.782 1.665 1.854 1.00 . A A . 30 SER N 1 1 6 3866 1 1 30 SER O O 2.831 1.542 2.429 1.00 . A A . 30 SER O 1 1 6 3867 1 1 30 SER OG O 4.855 1.164 5.373 1.00 . A A . 30 SER OG 1 1 6 3868 1 1 31 CYS C C 1.014 -0.583 3.395 1.00 . A A . 31 CYS C 1 1 6 3869 1 1 31 CYS CA C 1.922 -0.985 2.238 1.00 . A A . 31 CYS CA 1 1 6 3870 1 1 31 CYS CB C 1.842 -2.497 2.015 1.00 . A A . 31 CYS CB 1 1 6 3871 1 1 31 CYS H H 3.995 -1.289 2.733 1.00 . A A . 31 CYS H 1 1 6 3872 1 1 31 CYS HA H 1.603 -0.469 1.355 1.00 . A A . 31 CYS HA 1 1 6 3873 1 1 31 CYS HB2 H 2.300 -2.996 2.852 1.00 . A A . 31 CYS HB2 1 1 6 3874 1 1 31 CYS HB3 H 0.817 -2.796 1.943 1.00 . A A . 31 CYS HB3 1 1 6 3875 1 1 31 CYS N N 3.321 -0.596 2.557 1.00 . A A . 31 CYS N 1 1 6 3876 1 1 31 CYS O O 1.413 -0.613 4.542 1.00 . A A . 31 CYS O 1 1 6 3877 1 1 31 CYS SG S 2.722 -2.957 0.501 1.00 . A A . 31 CYS SG 1 1 6 3878 1 1 32 GLU C C -2.560 -0.104 3.926 1.00 . A A . 32 GLU C 1 1 6 3879 1 1 32 GLU CA C -1.109 0.242 4.216 1.00 . A A . 32 GLU CA 1 1 6 3880 1 1 32 GLU CB C -1.017 1.759 4.388 1.00 . A A . 32 GLU CB 1 1 6 3881 1 1 32 GLU CD C 0.466 3.632 5.089 1.00 . A A . 32 GLU CD 1 1 6 3882 1 1 32 GLU CG C 0.345 2.114 4.942 1.00 . A A . 32 GLU CG 1 1 6 3883 1 1 32 GLU H H -0.505 -0.148 2.183 1.00 . A A . 32 GLU H 1 1 6 3884 1 1 32 GLU HA H -0.807 -0.231 5.138 1.00 . A A . 32 GLU HA 1 1 6 3885 1 1 32 GLU HB2 H -1.151 2.239 3.430 1.00 . A A . 32 GLU HB2 1 1 6 3886 1 1 32 GLU HB3 H -1.782 2.095 5.070 1.00 . A A . 32 GLU HB3 1 1 6 3887 1 1 32 GLU HG2 H 0.452 1.642 5.896 1.00 . A A . 32 GLU HG2 1 1 6 3888 1 1 32 GLU HG3 H 1.109 1.755 4.275 1.00 . A A . 32 GLU HG3 1 1 6 3889 1 1 32 GLU N N -0.201 -0.183 3.114 1.00 . A A . 32 GLU N 1 1 6 3890 1 1 32 GLU O O -3.217 0.543 3.133 1.00 . A A . 32 GLU O 1 1 6 3891 1 1 32 GLU OE1 O -0.484 4.317 4.752 1.00 . A A . 32 GLU OE1 1 1 6 3892 1 1 32 GLU OE2 O 1.509 4.084 5.536 1.00 . A A . 32 GLU OE2 1 1 6 3893 1 1 33 ARG C C -5.307 -0.333 5.220 1.00 . A A . 33 ARG C 1 1 6 3894 1 1 33 ARG CA C -4.537 -1.366 4.402 1.00 . A A . 33 ARG CA 1 1 6 3895 1 1 33 ARG CB C -4.927 -2.773 4.884 1.00 . A A . 33 ARG CB 1 1 6 3896 1 1 33 ARG CD C -6.927 -2.513 3.377 1.00 . A A . 33 ARG CD 1 1 6 3897 1 1 33 ARG CG C -5.812 -3.468 3.835 1.00 . A A . 33 ARG CG 1 1 6 3898 1 1 33 ARG CZ C -8.376 -2.619 1.421 1.00 . A A . 33 ARG CZ 1 1 6 3899 1 1 33 ARG H H -2.573 -1.566 5.270 1.00 . A A . 33 ARG H 1 1 6 3900 1 1 33 ARG HA H -4.772 -1.249 3.359 1.00 . A A . 33 ARG HA 1 1 6 3901 1 1 33 ARG HB2 H -4.040 -3.352 5.042 1.00 . A A . 33 ARG HB2 1 1 6 3902 1 1 33 ARG HB3 H -5.472 -2.701 5.815 1.00 . A A . 33 ARG HB3 1 1 6 3903 1 1 33 ARG HD2 H -7.454 -2.153 4.238 1.00 . A A . 33 ARG HD2 1 1 6 3904 1 1 33 ARG HD3 H -6.497 -1.678 2.851 1.00 . A A . 33 ARG HD3 1 1 6 3905 1 1 33 ARG HE H -8.143 -4.146 2.675 1.00 . A A . 33 ARG HE 1 1 6 3906 1 1 33 ARG HG2 H -5.208 -3.751 2.991 1.00 . A A . 33 ARG HG2 1 1 6 3907 1 1 33 ARG HG3 H -6.254 -4.351 4.269 1.00 . A A . 33 ARG HG3 1 1 6 3908 1 1 33 ARG HH11 H -7.354 -0.917 1.702 1.00 . A A . 33 ARG HH11 1 1 6 3909 1 1 33 ARG HH12 H -8.398 -0.944 0.321 1.00 . A A . 33 ARG HH12 1 1 6 3910 1 1 33 ARG HH21 H -9.514 -4.174 0.873 1.00 . A A . 33 ARG HH21 1 1 6 3911 1 1 33 ARG HH22 H -9.615 -2.777 -0.144 1.00 . A A . 33 ARG HH22 1 1 6 3912 1 1 33 ARG N N -3.097 -1.079 4.600 1.00 . A A . 33 ARG N 1 1 6 3913 1 1 33 ARG NE N -7.876 -3.228 2.472 1.00 . A A . 33 ARG NE 1 1 6 3914 1 1 33 ARG NH1 N -8.012 -1.398 1.126 1.00 . A A . 33 ARG NH1 1 1 6 3915 1 1 33 ARG NH2 N -9.234 -3.239 0.656 1.00 . A A . 33 ARG NH2 1 1 6 3916 1 1 33 ARG O O -5.016 -0.128 6.381 1.00 . A A . 33 ARG O 1 1 6 3917 1 1 34 LYS C C -8.467 0.736 5.673 1.00 . A A . 34 LYS C 1 1 6 3918 1 1 34 LYS CA C -7.053 1.286 5.452 1.00 . A A . 34 LYS CA 1 1 6 3919 1 1 34 LYS CB C -7.064 2.632 4.731 1.00 . A A . 34 LYS CB 1 1 6 3920 1 1 34 LYS CD C -5.577 4.604 4.292 1.00 . A A . 34 LYS CD 1 1 6 3921 1 1 34 LYS CE C -6.542 5.002 3.178 1.00 . A A . 34 LYS CE 1 1 6 3922 1 1 34 LYS CG C -5.610 3.085 4.480 1.00 . A A . 34 LYS CG 1 1 6 3923 1 1 34 LYS H H -6.531 0.130 3.746 1.00 . A A . 34 LYS H 1 1 6 3924 1 1 34 LYS HA H -6.576 1.400 6.400 1.00 . A A . 34 LYS HA 1 1 6 3925 1 1 34 LYS HB2 H -7.580 2.531 3.788 1.00 . A A . 34 LYS HB2 1 1 6 3926 1 1 34 LYS HB3 H -7.567 3.366 5.343 1.00 . A A . 34 LYS HB3 1 1 6 3927 1 1 34 LYS HD2 H -5.865 5.089 5.215 1.00 . A A . 34 LYS HD2 1 1 6 3928 1 1 34 LYS HD3 H -4.577 4.913 4.025 1.00 . A A . 34 LYS HD3 1 1 6 3929 1 1 34 LYS HE2 H -6.370 4.380 2.310 1.00 . A A . 34 LYS HE2 1 1 6 3930 1 1 34 LYS HE3 H -7.557 4.873 3.520 1.00 . A A . 34 LYS HE3 1 1 6 3931 1 1 34 LYS HG2 H -4.982 2.808 5.323 1.00 . A A . 34 LYS HG2 1 1 6 3932 1 1 34 LYS HG3 H -5.230 2.610 3.588 1.00 . A A . 34 LYS HG3 1 1 6 3933 1 1 34 LYS HZ1 H -5.367 6.540 2.413 1.00 . A A . 34 LYS HZ1 1 1 6 3934 1 1 34 LYS HZ2 H -6.399 7.019 3.673 1.00 . A A . 34 LYS HZ2 1 1 6 3935 1 1 34 LYS HZ3 H -7.032 6.727 2.124 1.00 . A A . 34 LYS HZ3 1 1 6 3936 1 1 34 LYS N N -6.289 0.304 4.661 1.00 . A A . 34 LYS N 1 1 6 3937 1 1 34 LYS NZ N -6.318 6.430 2.820 1.00 . A A . 34 LYS NZ 1 1 6 3938 1 1 34 LYS O O -9.395 1.453 5.987 1.00 . A A . 34 LYS O 1 1 6 3939 1 1 35 TRP C C -9.822 -2.231 6.863 1.00 . A A . 35 TRP C 1 1 6 3940 1 1 35 TRP CA C -9.937 -1.229 5.713 1.00 . A A . 35 TRP CA 1 1 6 3941 1 1 35 TRP CB C -10.313 -2.002 4.455 1.00 . A A . 35 TRP CB 1 1 6 3942 1 1 35 TRP CD1 C -9.810 -0.188 2.763 1.00 . A A . 35 TRP CD1 1 1 6 3943 1 1 35 TRP CD2 C -11.942 -0.900 2.677 1.00 . A A . 35 TRP CD2 1 1 6 3944 1 1 35 TRP CE2 C -11.809 0.100 1.684 1.00 . A A . 35 TRP CE2 1 1 6 3945 1 1 35 TRP CE3 C -13.194 -1.519 2.833 1.00 . A A . 35 TRP CE3 1 1 6 3946 1 1 35 TRP CG C -10.662 -1.060 3.348 1.00 . A A . 35 TRP CG 1 1 6 3947 1 1 35 TRP CH2 C -14.123 -0.154 1.043 1.00 . A A . 35 TRP CH2 1 1 6 3948 1 1 35 TRP CZ2 C -12.885 0.473 0.875 1.00 . A A . 35 TRP CZ2 1 1 6 3949 1 1 35 TRP CZ3 C -14.277 -1.148 2.020 1.00 . A A . 35 TRP CZ3 1 1 6 3950 1 1 35 TRP H H -7.837 -1.097 5.271 1.00 . A A . 35 TRP H 1 1 6 3951 1 1 35 TRP HA H -10.695 -0.496 5.936 1.00 . A A . 35 TRP HA 1 1 6 3952 1 1 35 TRP HB2 H -9.481 -2.618 4.159 1.00 . A A . 35 TRP HB2 1 1 6 3953 1 1 35 TRP HB3 H -11.165 -2.633 4.668 1.00 . A A . 35 TRP HB3 1 1 6 3954 1 1 35 TRP HD1 H -8.772 -0.052 3.023 1.00 . A A . 35 TRP HD1 1 1 6 3955 1 1 35 TRP HE1 H -10.104 1.198 1.201 1.00 . A A . 35 TRP HE1 1 1 6 3956 1 1 35 TRP HE3 H -13.325 -2.285 3.583 1.00 . A A . 35 TRP HE3 1 1 6 3957 1 1 35 TRP HH2 H -14.960 0.125 0.421 1.00 . A A . 35 TRP HH2 1 1 6 3958 1 1 35 TRP HZ2 H -12.761 1.239 0.125 1.00 . A A . 35 TRP HZ2 1 1 6 3959 1 1 35 TRP HZ3 H -15.233 -1.633 2.149 1.00 . A A . 35 TRP HZ3 1 1 6 3960 1 1 35 TRP N N -8.616 -0.557 5.513 1.00 . A A . 35 TRP N 1 1 6 3961 1 1 35 TRP NE1 N -10.491 0.504 1.775 1.00 . A A . 35 TRP NE1 1 1 6 3962 1 1 35 TRP O O -10.778 -2.883 7.231 1.00 . A A . 35 TRP O 1 1 6 3963 1 1 36 LYS C C -9.378 -3.073 9.682 1.00 . A A . 36 LYS C 1 1 6 3964 1 1 36 LYS CA C -8.430 -3.360 8.511 1.00 . A A . 36 LYS CA 1 1 6 3965 1 1 36 LYS CB C -6.968 -3.266 8.981 1.00 . A A . 36 LYS CB 1 1 6 3966 1 1 36 LYS CD C -4.911 -4.560 9.570 1.00 . A A . 36 LYS CD 1 1 6 3967 1 1 36 LYS CE C -4.312 -5.961 9.739 1.00 . A A . 36 LYS CE 1 1 6 3968 1 1 36 LYS CG C -6.411 -4.664 9.285 1.00 . A A . 36 LYS CG 1 1 6 3969 1 1 36 LYS H H -7.894 -1.859 7.056 1.00 . A A . 36 LYS H 1 1 6 3970 1 1 36 LYS HA H -8.625 -4.356 8.144 1.00 . A A . 36 LYS HA 1 1 6 3971 1 1 36 LYS HB2 H -6.374 -2.808 8.203 1.00 . A A . 36 LYS HB2 1 1 6 3972 1 1 36 LYS HB3 H -6.914 -2.660 9.872 1.00 . A A . 36 LYS HB3 1 1 6 3973 1 1 36 LYS HD2 H -4.423 -4.058 8.748 1.00 . A A . 36 LYS HD2 1 1 6 3974 1 1 36 LYS HD3 H -4.757 -3.995 10.478 1.00 . A A . 36 LYS HD3 1 1 6 3975 1 1 36 LYS HE2 H -4.778 -6.636 9.037 1.00 . A A . 36 LYS HE2 1 1 6 3976 1 1 36 LYS HE3 H -3.249 -5.923 9.548 1.00 . A A . 36 LYS HE3 1 1 6 3977 1 1 36 LYS HG2 H -6.917 -5.076 10.148 1.00 . A A . 36 LYS HG2 1 1 6 3978 1 1 36 LYS HG3 H -6.569 -5.308 8.433 1.00 . A A . 36 LYS HG3 1 1 6 3979 1 1 36 LYS HZ1 H -4.808 -7.458 11.100 1.00 . A A . 36 LYS HZ1 1 1 6 3980 1 1 36 LYS HZ2 H -5.322 -5.908 11.561 1.00 . A A . 36 LYS HZ2 1 1 6 3981 1 1 36 LYS HZ3 H -3.682 -6.331 11.687 1.00 . A A . 36 LYS HZ3 1 1 6 3982 1 1 36 LYS N N -8.647 -2.378 7.402 1.00 . A A . 36 LYS N 1 1 6 3983 1 1 36 LYS NZ N -4.551 -6.451 11.126 1.00 . A A . 36 LYS NZ 1 1 6 3984 1 1 36 LYS O O -9.094 -3.403 10.816 1.00 . A A . 36 LYS O 1 1 6 3985 1 1 37 TYR C C -12.590 -3.272 10.434 1.00 . A A . 37 TYR C 1 1 6 3986 1 1 37 TYR CA C -11.494 -2.207 10.505 1.00 . A A . 37 TYR CA 1 1 6 3987 1 1 37 TYR CB C -12.111 -0.822 10.297 1.00 . A A . 37 TYR CB 1 1 6 3988 1 1 37 TYR CD1 C -10.430 0.619 11.498 1.00 . A A . 37 TYR CD1 1 1 6 3989 1 1 37 TYR CD2 C -10.591 0.778 9.084 1.00 . A A . 37 TYR CD2 1 1 6 3990 1 1 37 TYR CE1 C -9.413 1.581 11.492 1.00 . A A . 37 TYR CE1 1 1 6 3991 1 1 37 TYR CE2 C -9.572 1.738 9.078 1.00 . A A . 37 TYR CE2 1 1 6 3992 1 1 37 TYR CG C -11.020 0.219 10.294 1.00 . A A . 37 TYR CG 1 1 6 3993 1 1 37 TYR CZ C -8.983 2.139 10.281 1.00 . A A . 37 TYR CZ 1 1 6 3994 1 1 37 TYR H H -10.737 -2.212 8.447 1.00 . A A . 37 TYR H 1 1 6 3995 1 1 37 TYR HA H -11.002 -2.250 11.468 1.00 . A A . 37 TYR HA 1 1 6 3996 1 1 37 TYR HB2 H -12.634 -0.799 9.353 1.00 . A A . 37 TYR HB2 1 1 6 3997 1 1 37 TYR HB3 H -12.808 -0.612 11.097 1.00 . A A . 37 TYR HB3 1 1 6 3998 1 1 37 TYR HD1 H -10.761 0.189 12.433 1.00 . A A . 37 TYR HD1 1 1 6 3999 1 1 37 TYR HD2 H -11.047 0.469 8.156 1.00 . A A . 37 TYR HD2 1 1 6 4000 1 1 37 TYR HE1 H -8.957 1.890 12.421 1.00 . A A . 37 TYR HE1 1 1 6 4001 1 1 37 TYR HE2 H -9.243 2.170 8.147 1.00 . A A . 37 TYR HE2 1 1 6 4002 1 1 37 TYR HH H -7.651 3.161 9.376 1.00 . A A . 37 TYR HH 1 1 6 4003 1 1 37 TYR N N -10.516 -2.485 9.415 1.00 . A A . 37 TYR N 1 1 6 4004 1 1 37 TYR O O -13.440 -3.242 9.566 1.00 . A A . 37 TYR O 1 1 6 4005 1 1 37 TYR OH O -7.978 3.084 10.275 1.00 . A A . 37 TYR OH 1 1 6 4006 1 1 38 LEU C C -13.336 -6.192 10.060 1.00 . A A . 38 LEU C 1 1 6 4007 1 1 38 LEU CA C -13.598 -5.304 11.288 1.00 . A A . 38 LEU CA 1 1 6 4008 1 1 38 LEU CB C -15.001 -4.664 11.184 1.00 . A A . 38 LEU CB 1 1 6 4009 1 1 38 LEU CD1 C -16.988 -4.252 12.661 1.00 . A A . 38 LEU CD1 1 1 6 4010 1 1 38 LEU CD2 C -16.740 -6.464 11.515 1.00 . A A . 38 LEU CD2 1 1 6 4011 1 1 38 LEU CG C -15.982 -5.306 12.188 1.00 . A A . 38 LEU CG 1 1 6 4012 1 1 38 LEU H H -11.862 -4.240 12.005 1.00 . A A . 38 LEU H 1 1 6 4013 1 1 38 LEU HA H -13.525 -5.899 12.185 1.00 . A A . 38 LEU HA 1 1 6 4014 1 1 38 LEU HB2 H -14.922 -3.609 11.392 1.00 . A A . 38 LEU HB2 1 1 6 4015 1 1 38 LEU HB3 H -15.382 -4.797 10.182 1.00 . A A . 38 LEU HB3 1 1 6 4016 1 1 38 LEU HD11 H -17.678 -4.700 13.361 1.00 . A A . 38 LEU HD11 1 1 6 4017 1 1 38 LEU HD12 H -17.535 -3.870 11.812 1.00 . A A . 38 LEU HD12 1 1 6 4018 1 1 38 LEU HD13 H -16.461 -3.442 13.144 1.00 . A A . 38 LEU HD13 1 1 6 4019 1 1 38 LEU HD21 H -17.650 -6.091 11.067 1.00 . A A . 38 LEU HD21 1 1 6 4020 1 1 38 LEU HD22 H -16.986 -7.211 12.255 1.00 . A A . 38 LEU HD22 1 1 6 4021 1 1 38 LEU HD23 H -16.123 -6.908 10.751 1.00 . A A . 38 LEU HD23 1 1 6 4022 1 1 38 LEU HG H -15.437 -5.681 13.044 1.00 . A A . 38 LEU HG 1 1 6 4023 1 1 38 LEU N N -12.567 -4.225 11.325 1.00 . A A . 38 LEU N 1 1 6 4024 1 1 38 LEU O O -12.614 -5.806 9.168 1.00 . A A . 38 LEU O 1 1 6 4025 1 1 39 PHE C C -12.760 -9.434 9.288 1.00 . A A . 39 PHE C 1 1 6 4026 1 1 39 PHE CA C -13.754 -8.339 8.887 1.00 . A A . 39 PHE CA 1 1 6 4027 1 1 39 PHE CB C -13.278 -7.637 7.602 1.00 . A A . 39 PHE CB 1 1 6 4028 1 1 39 PHE CD1 C -14.582 -8.931 5.870 1.00 . A A . 39 PHE CD1 1 1 6 4029 1 1 39 PHE CD2 C -15.111 -6.592 6.225 1.00 . A A . 39 PHE CD2 1 1 6 4030 1 1 39 PHE CE1 C -15.576 -9.006 4.886 1.00 . A A . 39 PHE CE1 1 1 6 4031 1 1 39 PHE CE2 C -16.104 -6.665 5.242 1.00 . A A . 39 PHE CE2 1 1 6 4032 1 1 39 PHE CG C -14.351 -7.724 6.539 1.00 . A A . 39 PHE CG 1 1 6 4033 1 1 39 PHE CZ C -16.337 -7.873 4.572 1.00 . A A . 39 PHE CZ 1 1 6 4034 1 1 39 PHE H H -14.484 -7.629 10.775 1.00 . A A . 39 PHE H 1 1 6 4035 1 1 39 PHE HA H -14.713 -8.807 8.697 1.00 . A A . 39 PHE HA 1 1 6 4036 1 1 39 PHE HB2 H -13.083 -6.606 7.812 1.00 . A A . 39 PHE HB2 1 1 6 4037 1 1 39 PHE HB3 H -12.377 -8.109 7.238 1.00 . A A . 39 PHE HB3 1 1 6 4038 1 1 39 PHE HD1 H -13.997 -9.804 6.113 1.00 . A A . 39 PHE HD1 1 1 6 4039 1 1 39 PHE HD2 H -14.933 -5.659 6.741 1.00 . A A . 39 PHE HD2 1 1 6 4040 1 1 39 PHE HE1 H -15.757 -9.937 4.369 1.00 . A A . 39 PHE HE1 1 1 6 4041 1 1 39 PHE HE2 H -16.690 -5.791 5.000 1.00 . A A . 39 PHE HE2 1 1 6 4042 1 1 39 PHE HZ H -17.104 -7.930 3.814 1.00 . A A . 39 PHE HZ 1 1 6 4043 1 1 39 PHE N N -13.919 -7.372 10.032 1.00 . A A . 39 PHE N 1 1 6 4044 1 1 39 PHE O O -12.188 -9.403 10.358 1.00 . A A . 39 PHE O 1 1 6 4045 1 1 40 THR C C -10.165 -10.993 8.646 1.00 . A A . 40 THR C 1 1 6 4046 1 1 40 THR CA C -11.601 -11.501 8.772 1.00 . A A . 40 THR CA 1 1 6 4047 1 1 40 THR CB C -11.805 -12.670 7.802 1.00 . A A . 40 THR CB 1 1 6 4048 1 1 40 THR CG2 C -12.276 -12.142 6.443 1.00 . A A . 40 THR CG2 1 1 6 4049 1 1 40 THR H H -13.028 -10.413 7.580 1.00 . A A . 40 THR H 1 1 6 4050 1 1 40 THR HA H -11.777 -11.838 9.783 1.00 . A A . 40 THR HA 1 1 6 4051 1 1 40 THR HB H -12.551 -13.345 8.198 1.00 . A A . 40 THR HB 1 1 6 4052 1 1 40 THR HG1 H -10.135 -13.016 6.864 1.00 . A A . 40 THR HG1 1 1 6 4053 1 1 40 THR HG21 H -11.926 -12.797 5.661 1.00 . A A . 40 THR HG21 1 1 6 4054 1 1 40 THR HG22 H -11.879 -11.149 6.281 1.00 . A A . 40 THR HG22 1 1 6 4055 1 1 40 THR HG23 H -13.356 -12.105 6.426 1.00 . A A . 40 THR HG23 1 1 6 4056 1 1 40 THR N N -12.554 -10.404 8.438 1.00 . A A . 40 THR N 1 1 6 4057 1 1 40 THR O O -9.924 -9.874 8.240 1.00 . A A . 40 THR O 1 1 6 4058 1 1 40 THR OG1 O -10.578 -13.369 7.639 1.00 . A A . 40 THR OG1 1 1 6 4059 1 1 41 GLY C C -7.488 -10.994 7.432 1.00 . A A . 41 GLY C 1 1 6 4060 1 1 41 GLY CA C -7.785 -11.384 8.880 1.00 . A A . 41 GLY CA 1 1 6 4061 1 1 41 GLY H H -9.422 -12.714 9.305 1.00 . A A . 41 GLY H 1 1 6 4062 1 1 41 GLY HA2 H -7.612 -10.537 9.527 1.00 . A A . 41 GLY HA2 1 1 6 4063 1 1 41 GLY HA3 H -7.140 -12.199 9.167 1.00 . A A . 41 GLY HA3 1 1 6 4064 1 1 41 GLY N N -9.207 -11.812 8.986 1.00 . A A . 41 GLY N 1 1 6 4065 1 1 41 GLY O O -6.375 -10.644 7.089 1.00 . A A . 41 GLY O 1 1 6 4066 1 1 42 GLU C C -8.624 -9.212 4.960 1.00 . A A . 42 GLU C 1 1 6 4067 1 1 42 GLU CA C -8.244 -10.679 5.154 1.00 . A A . 42 GLU CA 1 1 6 4068 1 1 42 GLU CB C -9.105 -11.558 4.244 1.00 . A A . 42 GLU CB 1 1 6 4069 1 1 42 GLU CD C -9.640 -12.131 1.874 1.00 . A A . 42 GLU CD 1 1 6 4070 1 1 42 GLU CG C -8.763 -11.265 2.781 1.00 . A A . 42 GLU CG 1 1 6 4071 1 1 42 GLU H H -9.365 -11.332 6.870 1.00 . A A . 42 GLU H 1 1 6 4072 1 1 42 GLU HA H -7.201 -10.815 4.907 1.00 . A A . 42 GLU HA 1 1 6 4073 1 1 42 GLU HB2 H -8.909 -12.598 4.461 1.00 . A A . 42 GLU HB2 1 1 6 4074 1 1 42 GLU HB3 H -10.148 -11.343 4.419 1.00 . A A . 42 GLU HB3 1 1 6 4075 1 1 42 GLU HG2 H -8.942 -10.221 2.566 1.00 . A A . 42 GLU HG2 1 1 6 4076 1 1 42 GLU HG3 H -7.724 -11.498 2.600 1.00 . A A . 42 GLU HG3 1 1 6 4077 1 1 42 GLU N N -8.475 -11.050 6.577 1.00 . A A . 42 GLU N 1 1 6 4078 1 1 42 GLU O O -9.653 -8.763 5.424 1.00 . A A . 42 GLU O 1 1 6 4079 1 1 42 GLU OE1 O -10.604 -12.686 2.374 1.00 . A A . 42 GLU OE1 1 1 6 4080 1 1 42 GLU OE2 O -9.330 -12.226 0.699 1.00 . A A . 42 GLU OE2 1 1 6 4081 1 1 43 CYS C C -9.561 -6.743 4.024 1.00 . A A . 43 CYS C 1 1 6 4082 1 1 43 CYS CA C -8.055 -7.012 4.064 1.00 . A A . 43 CYS CA 1 1 6 4083 1 1 43 CYS CB C -7.433 -6.587 2.733 1.00 . A A . 43 CYS CB 1 1 6 4084 1 1 43 CYS H H -6.959 -8.864 3.949 1.00 . A A . 43 CYS H 1 1 6 4085 1 1 43 CYS HXT H -9.552 -5.770 5.588 1.00 . A A . 43 CYS HXT 1 1 6 4086 1 1 43 CYS HA H -7.610 -6.439 4.865 1.00 . A A . 43 CYS HA 1 1 6 4087 1 1 43 CYS HB2 H -7.946 -5.721 2.354 1.00 . A A . 43 CYS HB2 1 1 6 4088 1 1 43 CYS HB3 H -6.394 -6.346 2.887 1.00 . A A . 43 CYS HB3 1 1 6 4089 1 1 43 CYS N N -7.786 -8.466 4.292 1.00 . A A . 43 CYS N 1 1 6 4090 1 1 43 CYS O O -10.127 -6.823 2.947 1.00 . A A . 43 CYS O 1 1 6 4091 1 1 43 CYS OXT O -10.120 -6.457 5.071 1.00 . A A . 43 CYS OXT 1 1 6 4092 1 1 43 CYS SG S -7.576 -7.929 1.531 1.00 . A A . 43 CYS SG 1 1 7 4093 1 1 1 CYS C C 4.199 -8.164 0.393 1.00 . A A . 1 CYS C 1 1 7 4094 1 1 1 CYS CA C 3.772 -8.648 -0.998 1.00 . A A . 1 CYS CA 1 1 7 4095 1 1 1 CYS CB C 2.295 -9.065 -0.961 1.00 . A A . 1 CYS CB 1 1 7 4096 1 1 1 CYS H1 H 5.598 -9.526 -1.440 1.00 . A A . 1 CYS H1 1 1 7 4097 1 1 1 CYS H2 H 4.487 -10.580 -0.745 1.00 . A A . 1 CYS H2 1 1 7 4098 1 1 1 CYS H3 H 4.316 -10.119 -2.355 1.00 . A A . 1 CYS H3 1 1 7 4099 1 1 1 CYS HA H 3.897 -7.846 -1.706 1.00 . A A . 1 CYS HA 1 1 7 4100 1 1 1 CYS HB2 H 1.686 -8.185 -0.982 1.00 . A A . 1 CYS HB2 1 1 7 4101 1 1 1 CYS HB3 H 2.058 -9.678 -1.822 1.00 . A A . 1 CYS HB3 1 1 7 4102 1 1 1 CYS N N 4.607 -9.807 -1.417 1.00 . A A . 1 CYS N 1 1 7 4103 1 1 1 CYS O O 4.347 -8.947 1.312 1.00 . A A . 1 CYS O 1 1 7 4104 1 1 1 CYS SG S 1.949 -9.998 0.551 1.00 . A A . 1 CYS SG 1 1 7 4105 1 1 2 GLY C C 3.670 -6.574 2.904 1.00 . A A . 2 GLY C 1 1 7 4106 1 1 2 GLY CA C 4.805 -6.360 1.896 1.00 . A A . 2 GLY CA 1 1 7 4107 1 1 2 GLY H H 4.267 -6.257 -0.190 1.00 . A A . 2 GLY H 1 1 7 4108 1 1 2 GLY HA2 H 5.692 -6.877 2.229 1.00 . A A . 2 GLY HA2 1 1 7 4109 1 1 2 GLY HA3 H 5.007 -5.304 1.815 1.00 . A A . 2 GLY HA3 1 1 7 4110 1 1 2 GLY N N 4.394 -6.880 0.560 1.00 . A A . 2 GLY N 1 1 7 4111 1 1 2 GLY O O 3.870 -7.099 3.981 1.00 . A A . 2 GLY O 1 1 7 4112 1 1 3 SER C C 1.210 -5.082 4.391 1.00 . A A . 3 SER C 1 1 7 4113 1 1 3 SER CA C 1.295 -6.278 3.437 1.00 . A A . 3 SER CA 1 1 7 4114 1 1 3 SER CB C 1.372 -7.575 4.252 1.00 . A A . 3 SER CB 1 1 7 4115 1 1 3 SER H H 2.400 -5.713 1.688 1.00 . A A . 3 SER H 1 1 7 4116 1 1 3 SER HA H 0.408 -6.299 2.823 1.00 . A A . 3 SER HA 1 1 7 4117 1 1 3 SER HB2 H 1.815 -8.353 3.656 1.00 . A A . 3 SER HB2 1 1 7 4118 1 1 3 SER HB3 H 1.977 -7.412 5.135 1.00 . A A . 3 SER HB3 1 1 7 4119 1 1 3 SER HG H 0.090 -8.880 4.918 1.00 . A A . 3 SER HG 1 1 7 4120 1 1 3 SER N N 2.494 -6.150 2.549 1.00 . A A . 3 SER N 1 1 7 4121 1 1 3 SER O O 1.902 -4.094 4.234 1.00 . A A . 3 SER O 1 1 7 4122 1 1 3 SER OG O 0.058 -7.962 4.630 1.00 . A A . 3 SER OG 1 1 7 4123 1 1 4 LYS C C 1.542 -3.632 6.890 1.00 . A A . 4 LYS C 1 1 7 4124 1 1 4 LYS CA C 0.179 -4.021 6.323 1.00 . A A . 4 LYS CA 1 1 7 4125 1 1 4 LYS CB C -0.755 -4.470 7.456 1.00 . A A . 4 LYS CB 1 1 7 4126 1 1 4 LYS CD C -2.176 -3.732 9.364 1.00 . A A . 4 LYS CD 1 1 7 4127 1 1 4 LYS CE C -2.577 -2.557 10.266 1.00 . A A . 4 LYS CE 1 1 7 4128 1 1 4 LYS CG C -1.120 -3.283 8.346 1.00 . A A . 4 LYS CG 1 1 7 4129 1 1 4 LYS H H -0.213 -5.959 5.461 1.00 . A A . 4 LYS H 1 1 7 4130 1 1 4 LYS HA H -0.255 -3.178 5.807 1.00 . A A . 4 LYS HA 1 1 7 4131 1 1 4 LYS HB2 H -1.652 -4.891 7.035 1.00 . A A . 4 LYS HB2 1 1 7 4132 1 1 4 LYS HB3 H -0.257 -5.222 8.050 1.00 . A A . 4 LYS HB3 1 1 7 4133 1 1 4 LYS HD2 H -3.048 -4.094 8.837 1.00 . A A . 4 LYS HD2 1 1 7 4134 1 1 4 LYS HD3 H -1.772 -4.527 9.973 1.00 . A A . 4 LYS HD3 1 1 7 4135 1 1 4 LYS HE2 H -2.233 -1.628 9.836 1.00 . A A . 4 LYS HE2 1 1 7 4136 1 1 4 LYS HE3 H -3.653 -2.528 10.369 1.00 . A A . 4 LYS HE3 1 1 7 4137 1 1 4 LYS HG2 H -0.237 -2.936 8.864 1.00 . A A . 4 LYS HG2 1 1 7 4138 1 1 4 LYS HG3 H -1.521 -2.487 7.739 1.00 . A A . 4 LYS HG3 1 1 7 4139 1 1 4 LYS HZ1 H -2.251 -1.956 12.231 1.00 . A A . 4 LYS HZ1 1 1 7 4140 1 1 4 LYS HZ2 H -0.924 -2.740 11.520 1.00 . A A . 4 LYS HZ2 1 1 7 4141 1 1 4 LYS HZ3 H -2.278 -3.641 12.015 1.00 . A A . 4 LYS HZ3 1 1 7 4142 1 1 4 LYS N N 0.346 -5.158 5.367 1.00 . A A . 4 LYS N 1 1 7 4143 1 1 4 LYS NZ N -1.961 -2.736 11.610 1.00 . A A . 4 LYS NZ 1 1 7 4144 1 1 4 LYS O O 2.287 -4.469 7.360 1.00 . A A . 4 LYS O 1 1 7 4145 1 1 5 ARG C C 4.256 -2.897 6.748 1.00 . A A . 5 ARG C 1 1 7 4146 1 1 5 ARG CA C 3.220 -1.954 7.353 1.00 . A A . 5 ARG CA 1 1 7 4147 1 1 5 ARG CB C 3.222 -2.060 8.882 1.00 . A A . 5 ARG CB 1 1 7 4148 1 1 5 ARG CD C 4.616 -1.945 10.949 1.00 . A A . 5 ARG CD 1 1 7 4149 1 1 5 ARG CG C 4.605 -1.706 9.436 1.00 . A A . 5 ARG CG 1 1 7 4150 1 1 5 ARG CZ C 4.110 0.173 12.037 1.00 . A A . 5 ARG CZ 1 1 7 4151 1 1 5 ARG H H 1.291 -1.707 6.435 1.00 . A A . 5 ARG H 1 1 7 4152 1 1 5 ARG HA H 3.430 -0.937 7.052 1.00 . A A . 5 ARG HA 1 1 7 4153 1 1 5 ARG HB2 H 2.491 -1.375 9.286 1.00 . A A . 5 ARG HB2 1 1 7 4154 1 1 5 ARG HB3 H 2.967 -3.068 9.169 1.00 . A A . 5 ARG HB3 1 1 7 4155 1 1 5 ARG HD2 H 4.298 -2.958 11.154 1.00 . A A . 5 ARG HD2 1 1 7 4156 1 1 5 ARG HD3 H 5.616 -1.803 11.328 1.00 . A A . 5 ARG HD3 1 1 7 4157 1 1 5 ARG HE H 2.747 -1.244 11.760 1.00 . A A . 5 ARG HE 1 1 7 4158 1 1 5 ARG HG2 H 5.352 -2.332 8.968 1.00 . A A . 5 ARG HG2 1 1 7 4159 1 1 5 ARG HG3 H 4.824 -0.670 9.236 1.00 . A A . 5 ARG HG3 1 1 7 4160 1 1 5 ARG HH11 H 5.996 -0.108 11.425 1.00 . A A . 5 ARG HH11 1 1 7 4161 1 1 5 ARG HH12 H 5.676 1.411 12.192 1.00 . A A . 5 ARG HH12 1 1 7 4162 1 1 5 ARG HH21 H 2.331 0.728 12.772 1.00 . A A . 5 ARG HH21 1 1 7 4163 1 1 5 ARG HH22 H 3.610 1.882 12.952 1.00 . A A . 5 ARG HH22 1 1 7 4164 1 1 5 ARG N N 1.890 -2.369 6.834 1.00 . A A . 5 ARG N 1 1 7 4165 1 1 5 ARG NE N 3.684 -0.993 11.625 1.00 . A A . 5 ARG NE 1 1 7 4166 1 1 5 ARG NH1 N 5.359 0.517 11.870 1.00 . A A . 5 ARG NH1 1 1 7 4167 1 1 5 ARG NH2 N 3.287 0.992 12.633 1.00 . A A . 5 ARG NH2 1 1 7 4168 1 1 5 ARG O O 4.623 -3.890 7.342 1.00 . A A . 5 ARG O 1 1 7 4169 1 1 6 ALA C C 6.094 -2.946 3.533 1.00 . A A . 6 ALA C 1 1 7 4170 1 1 6 ALA CA C 5.683 -3.511 4.891 1.00 . A A . 6 ALA CA 1 1 7 4171 1 1 6 ALA CB C 5.018 -4.866 4.656 1.00 . A A . 6 ALA CB 1 1 7 4172 1 1 6 ALA H H 4.365 -1.812 5.091 1.00 . A A . 6 ALA H 1 1 7 4173 1 1 6 ALA HA H 6.551 -3.636 5.514 1.00 . A A . 6 ALA HA 1 1 7 4174 1 1 6 ALA HB1 H 4.700 -5.285 5.598 1.00 . A A . 6 ALA HB1 1 1 7 4175 1 1 6 ALA HB2 H 5.724 -5.535 4.187 1.00 . A A . 6 ALA HB2 1 1 7 4176 1 1 6 ALA HB3 H 4.155 -4.735 4.006 1.00 . A A . 6 ALA HB3 1 1 7 4177 1 1 6 ALA N N 4.702 -2.606 5.557 1.00 . A A . 6 ALA N 1 1 7 4178 1 1 6 ALA O O 5.283 -2.436 2.785 1.00 . A A . 6 ALA O 1 1 7 4179 1 1 7 TRP C C 6.906 -2.902 0.774 1.00 . A A . 7 TRP C 1 1 7 4180 1 1 7 TRP CA C 7.857 -2.530 1.911 1.00 . A A . 7 TRP CA 1 1 7 4181 1 1 7 TRP CB C 9.248 -3.098 1.625 1.00 . A A . 7 TRP CB 1 1 7 4182 1 1 7 TRP CD1 C 9.923 -1.437 -0.163 1.00 . A A . 7 TRP CD1 1 1 7 4183 1 1 7 TRP CD2 C 9.907 -3.560 -0.908 1.00 . A A . 7 TRP CD2 1 1 7 4184 1 1 7 TRP CE2 C 10.294 -2.750 -2.001 1.00 . A A . 7 TRP CE2 1 1 7 4185 1 1 7 TRP CE3 C 9.820 -4.948 -1.109 1.00 . A A . 7 TRP CE3 1 1 7 4186 1 1 7 TRP CG C 9.675 -2.704 0.246 1.00 . A A . 7 TRP CG 1 1 7 4187 1 1 7 TRP CH2 C 10.493 -4.683 -3.434 1.00 . A A . 7 TRP CH2 1 1 7 4188 1 1 7 TRP CZ2 C 10.583 -3.299 -3.251 1.00 . A A . 7 TRP CZ2 1 1 7 4189 1 1 7 TRP CZ3 C 10.111 -5.505 -2.365 1.00 . A A . 7 TRP CZ3 1 1 7 4190 1 1 7 TRP H H 7.980 -3.477 3.835 1.00 . A A . 7 TRP H 1 1 7 4191 1 1 7 TRP HA H 7.929 -1.461 1.974 1.00 . A A . 7 TRP HA 1 1 7 4192 1 1 7 TRP HB2 H 9.949 -2.707 2.345 1.00 . A A . 7 TRP HB2 1 1 7 4193 1 1 7 TRP HB3 H 9.220 -4.176 1.700 1.00 . A A . 7 TRP HB3 1 1 7 4194 1 1 7 TRP HD1 H 9.846 -0.551 0.448 1.00 . A A . 7 TRP HD1 1 1 7 4195 1 1 7 TRP HE1 H 10.518 -0.680 -2.039 1.00 . A A . 7 TRP HE1 1 1 7 4196 1 1 7 TRP HE3 H 9.526 -5.589 -0.292 1.00 . A A . 7 TRP HE3 1 1 7 4197 1 1 7 TRP HH2 H 10.716 -5.116 -4.397 1.00 . A A . 7 TRP HH2 1 1 7 4198 1 1 7 TRP HZ2 H 10.876 -2.661 -4.071 1.00 . A A . 7 TRP HZ2 1 1 7 4199 1 1 7 TRP HZ3 H 10.041 -6.572 -2.508 1.00 . A A . 7 TRP HZ3 1 1 7 4200 1 1 7 TRP N N 7.358 -3.051 3.211 1.00 . A A . 7 TRP N 1 1 7 4201 1 1 7 TRP NE1 N 10.287 -1.463 -1.500 1.00 . A A . 7 TRP NE1 1 1 7 4202 1 1 7 TRP O O 6.566 -4.053 0.581 1.00 . A A . 7 TRP O 1 1 7 4203 1 1 8 CYS C C 6.201 -1.641 -2.419 1.00 . A A . 8 CYS C 1 1 7 4204 1 1 8 CYS CA C 5.561 -2.188 -1.135 1.00 . A A . 8 CYS CA 1 1 7 4205 1 1 8 CYS CB C 4.238 -1.464 -0.887 1.00 . A A . 8 CYS CB 1 1 7 4206 1 1 8 CYS H H 6.791 -1.004 0.195 1.00 . A A . 8 CYS H 1 1 7 4207 1 1 8 CYS HA H 5.384 -3.251 -1.233 1.00 . A A . 8 CYS HA 1 1 7 4208 1 1 8 CYS HB2 H 3.516 -1.772 -1.626 1.00 . A A . 8 CYS HB2 1 1 7 4209 1 1 8 CYS HB3 H 3.870 -1.710 0.097 1.00 . A A . 8 CYS HB3 1 1 7 4210 1 1 8 CYS N N 6.487 -1.924 0.014 1.00 . A A . 8 CYS N 1 1 7 4211 1 1 8 CYS O O 6.684 -0.532 -2.442 1.00 . A A . 8 CYS O 1 1 7 4212 1 1 8 CYS SG S 4.501 0.324 -0.998 1.00 . A A . 8 CYS SG 1 1 7 4213 1 1 9 LYS C C 5.755 -1.157 -5.573 1.00 . A A . 9 LYS C 1 1 7 4214 1 1 9 LYS CA C 6.827 -1.852 -4.741 1.00 . A A . 9 LYS CA 1 1 7 4215 1 1 9 LYS CB C 7.427 -2.987 -5.568 1.00 . A A . 9 LYS CB 1 1 7 4216 1 1 9 LYS CD C 8.889 -3.501 -7.538 1.00 . A A . 9 LYS CD 1 1 7 4217 1 1 9 LYS CE C 9.724 -2.881 -8.659 1.00 . A A . 9 LYS CE 1 1 7 4218 1 1 9 LYS CG C 8.251 -2.387 -6.710 1.00 . A A . 9 LYS CG 1 1 7 4219 1 1 9 LYS H H 5.805 -3.287 -3.486 1.00 . A A . 9 LYS H 1 1 7 4220 1 1 9 LYS HA H 7.602 -1.141 -4.488 1.00 . A A . 9 LYS HA 1 1 7 4221 1 1 9 LYS HB2 H 8.059 -3.598 -4.940 1.00 . A A . 9 LYS HB2 1 1 7 4222 1 1 9 LYS HB3 H 6.632 -3.592 -5.979 1.00 . A A . 9 LYS HB3 1 1 7 4223 1 1 9 LYS HD2 H 9.526 -4.104 -6.903 1.00 . A A . 9 LYS HD2 1 1 7 4224 1 1 9 LYS HD3 H 8.117 -4.121 -7.965 1.00 . A A . 9 LYS HD3 1 1 7 4225 1 1 9 LYS HE2 H 10.543 -2.320 -8.230 1.00 . A A . 9 LYS HE2 1 1 7 4226 1 1 9 LYS HE3 H 10.115 -3.661 -9.293 1.00 . A A . 9 LYS HE3 1 1 7 4227 1 1 9 LYS HG2 H 7.614 -1.789 -7.341 1.00 . A A . 9 LYS HG2 1 1 7 4228 1 1 9 LYS HG3 H 9.030 -1.762 -6.296 1.00 . A A . 9 LYS HG3 1 1 7 4229 1 1 9 LYS HZ1 H 8.643 -1.115 -8.912 1.00 . A A . 9 LYS HZ1 1 1 7 4230 1 1 9 LYS HZ2 H 7.984 -2.452 -9.724 1.00 . A A . 9 LYS HZ2 1 1 7 4231 1 1 9 LYS HZ3 H 9.375 -1.690 -10.333 1.00 . A A . 9 LYS HZ3 1 1 7 4232 1 1 9 LYS N N 6.207 -2.389 -3.494 1.00 . A A . 9 LYS N 1 1 7 4233 1 1 9 LYS NZ N 8.867 -1.965 -9.468 1.00 . A A . 9 LYS NZ 1 1 7 4234 1 1 9 LYS O O 5.954 -0.079 -6.096 1.00 . A A . 9 LYS O 1 1 7 4235 1 1 10 GLU C C 2.185 -1.621 -5.930 1.00 . A A . 10 GLU C 1 1 7 4236 1 1 10 GLU CA C 3.524 -1.175 -6.507 1.00 . A A . 10 GLU CA 1 1 7 4237 1 1 10 GLU CB C 3.611 -1.662 -7.958 1.00 . A A . 10 GLU CB 1 1 7 4238 1 1 10 GLU CD C 5.117 -2.239 -9.851 1.00 . A A . 10 GLU CD 1 1 7 4239 1 1 10 GLU CG C 5.065 -1.710 -8.418 1.00 . A A . 10 GLU CG 1 1 7 4240 1 1 10 GLU H H 4.486 -2.646 -5.273 1.00 . A A . 10 GLU H 1 1 7 4241 1 1 10 GLU HA H 3.597 -0.097 -6.477 1.00 . A A . 10 GLU HA 1 1 7 4242 1 1 10 GLU HB2 H 3.185 -2.651 -8.030 1.00 . A A . 10 GLU HB2 1 1 7 4243 1 1 10 GLU HB3 H 3.060 -0.987 -8.596 1.00 . A A . 10 GLU HB3 1 1 7 4244 1 1 10 GLU HG2 H 5.496 -0.719 -8.376 1.00 . A A . 10 GLU HG2 1 1 7 4245 1 1 10 GLU HG3 H 5.617 -2.375 -7.776 1.00 . A A . 10 GLU HG3 1 1 7 4246 1 1 10 GLU N N 4.618 -1.777 -5.703 1.00 . A A . 10 GLU N 1 1 7 4247 1 1 10 GLU O O 2.121 -2.395 -4.996 1.00 . A A . 10 GLU O 1 1 7 4248 1 1 10 GLU OE1 O 4.584 -3.311 -10.081 1.00 . A A . 10 GLU OE1 1 1 7 4249 1 1 10 GLU OE2 O 5.695 -1.570 -10.691 1.00 . A A . 10 GLU OE2 1 1 7 4250 1 1 11 LYS C C -0.399 -3.083 -6.167 1.00 . A A . 11 LYS C 1 1 7 4251 1 1 11 LYS CA C -0.226 -1.562 -6.021 1.00 . A A . 11 LYS CA 1 1 7 4252 1 1 11 LYS CB C -1.272 -0.821 -6.875 1.00 . A A . 11 LYS CB 1 1 7 4253 1 1 11 LYS CD C -3.647 -0.781 -7.696 1.00 . A A . 11 LYS CD 1 1 7 4254 1 1 11 LYS CE C -3.409 -1.107 -9.181 1.00 . A A . 11 LYS CE 1 1 7 4255 1 1 11 LYS CG C -2.633 -1.530 -6.814 1.00 . A A . 11 LYS CG 1 1 7 4256 1 1 11 LYS H H 1.200 -0.546 -7.264 1.00 . A A . 11 LYS H 1 1 7 4257 1 1 11 LYS HA H -0.338 -1.278 -4.979 1.00 . A A . 11 LYS HA 1 1 7 4258 1 1 11 LYS HB2 H -1.381 0.186 -6.500 1.00 . A A . 11 LYS HB2 1 1 7 4259 1 1 11 LYS HB3 H -0.929 -0.782 -7.895 1.00 . A A . 11 LYS HB3 1 1 7 4260 1 1 11 LYS HD2 H -4.649 -1.076 -7.422 1.00 . A A . 11 LYS HD2 1 1 7 4261 1 1 11 LYS HD3 H -3.534 0.284 -7.543 1.00 . A A . 11 LYS HD3 1 1 7 4262 1 1 11 LYS HE2 H -3.550 -0.214 -9.773 1.00 . A A . 11 LYS HE2 1 1 7 4263 1 1 11 LYS HE3 H -2.405 -1.467 -9.323 1.00 . A A . 11 LYS HE3 1 1 7 4264 1 1 11 LYS HG2 H -2.530 -2.543 -7.175 1.00 . A A . 11 LYS HG2 1 1 7 4265 1 1 11 LYS HG3 H -2.988 -1.546 -5.795 1.00 . A A . 11 LYS HG3 1 1 7 4266 1 1 11 LYS HZ1 H -5.306 -1.719 -9.783 1.00 . A A . 11 LYS HZ1 1 1 7 4267 1 1 11 LYS HZ2 H -4.449 -2.888 -8.902 1.00 . A A . 11 LYS HZ2 1 1 7 4268 1 1 11 LYS HZ3 H -4.034 -2.574 -10.518 1.00 . A A . 11 LYS HZ3 1 1 7 4269 1 1 11 LYS N N 1.118 -1.156 -6.501 1.00 . A A . 11 LYS N 1 1 7 4270 1 1 11 LYS NZ N -4.374 -2.150 -9.630 1.00 . A A . 11 LYS NZ 1 1 7 4271 1 1 11 LYS O O -0.902 -3.745 -5.284 1.00 . A A . 11 LYS O 1 1 7 4272 1 1 12 LYS C C 0.845 -5.893 -6.692 1.00 . A A . 12 LYS C 1 1 7 4273 1 1 12 LYS CA C -0.177 -5.097 -7.511 1.00 . A A . 12 LYS CA 1 1 7 4274 1 1 12 LYS CB C 0.019 -5.414 -9.000 1.00 . A A . 12 LYS CB 1 1 7 4275 1 1 12 LYS CD C -0.261 -3.119 -10.000 1.00 . A A . 12 LYS CD 1 1 7 4276 1 1 12 LYS CE C 0.480 -1.989 -10.715 1.00 . A A . 12 LYS CE 1 1 7 4277 1 1 12 LYS CG C 0.724 -4.256 -9.713 1.00 . A A . 12 LYS CG 1 1 7 4278 1 1 12 LYS H H 0.379 -3.082 -7.996 1.00 . A A . 12 LYS H 1 1 7 4279 1 1 12 LYS HA H -1.173 -5.389 -7.217 1.00 . A A . 12 LYS HA 1 1 7 4280 1 1 12 LYS HB2 H 0.614 -6.297 -9.095 1.00 . A A . 12 LYS HB2 1 1 7 4281 1 1 12 LYS HB3 H -0.943 -5.581 -9.462 1.00 . A A . 12 LYS HB3 1 1 7 4282 1 1 12 LYS HD2 H -1.057 -3.484 -10.633 1.00 . A A . 12 LYS HD2 1 1 7 4283 1 1 12 LYS HD3 H -0.675 -2.751 -9.081 1.00 . A A . 12 LYS HD3 1 1 7 4284 1 1 12 LYS HE2 H 1.441 -1.840 -10.246 1.00 . A A . 12 LYS HE2 1 1 7 4285 1 1 12 LYS HE3 H 0.624 -2.253 -11.751 1.00 . A A . 12 LYS HE3 1 1 7 4286 1 1 12 LYS HG2 H 1.523 -3.887 -9.088 1.00 . A A . 12 LYS HG2 1 1 7 4287 1 1 12 LYS HG3 H 1.137 -4.611 -10.644 1.00 . A A . 12 LYS HG3 1 1 7 4288 1 1 12 LYS HZ1 H -0.415 -0.454 -9.629 1.00 . A A . 12 LYS HZ1 1 1 7 4289 1 1 12 LYS HZ2 H -1.254 -0.883 -11.040 1.00 . A A . 12 LYS HZ2 1 1 7 4290 1 1 12 LYS HZ3 H 0.180 0.025 -11.147 1.00 . A A . 12 LYS HZ3 1 1 7 4291 1 1 12 LYS N N -0.070 -3.634 -7.288 1.00 . A A . 12 LYS N 1 1 7 4292 1 1 12 LYS NZ N -0.312 -0.730 -10.627 1.00 . A A . 12 LYS NZ 1 1 7 4293 1 1 12 LYS O O 0.552 -6.967 -6.202 1.00 . A A . 12 LYS O 1 1 7 4294 1 1 13 ASP C C 2.686 -6.179 -4.320 1.00 . A A . 13 ASP C 1 1 7 4295 1 1 13 ASP CA C 3.073 -6.119 -5.792 1.00 . A A . 13 ASP CA 1 1 7 4296 1 1 13 ASP CB C 4.394 -5.384 -5.965 1.00 . A A . 13 ASP CB 1 1 7 4297 1 1 13 ASP CG C 4.933 -5.628 -7.377 1.00 . A A . 13 ASP CG 1 1 7 4298 1 1 13 ASP H H 2.276 -4.533 -6.953 1.00 . A A . 13 ASP H 1 1 7 4299 1 1 13 ASP HA H 3.166 -7.123 -6.181 1.00 . A A . 13 ASP HA 1 1 7 4300 1 1 13 ASP HB2 H 4.236 -4.327 -5.820 1.00 . A A . 13 ASP HB2 1 1 7 4301 1 1 13 ASP HB3 H 5.092 -5.740 -5.247 1.00 . A A . 13 ASP HB3 1 1 7 4302 1 1 13 ASP N N 2.042 -5.391 -6.552 1.00 . A A . 13 ASP N 1 1 7 4303 1 1 13 ASP O O 3.284 -6.892 -3.543 1.00 . A A . 13 ASP O 1 1 7 4304 1 1 13 ASP OD1 O 4.451 -6.543 -8.024 1.00 . A A . 13 ASP OD1 1 1 7 4305 1 1 13 ASP OD2 O 5.821 -4.897 -7.785 1.00 . A A . 13 ASP OD2 1 1 7 4306 1 1 14 CYS C C 0.180 -6.501 -2.296 1.00 . A A . 14 CYS C 1 1 7 4307 1 1 14 CYS CA C 1.270 -5.457 -2.499 1.00 . A A . 14 CYS CA 1 1 7 4308 1 1 14 CYS CB C 0.714 -4.098 -2.103 1.00 . A A . 14 CYS CB 1 1 7 4309 1 1 14 CYS H H 1.219 -4.866 -4.568 1.00 . A A . 14 CYS H 1 1 7 4310 1 1 14 CYS HA H 2.118 -5.695 -1.872 1.00 . A A . 14 CYS HA 1 1 7 4311 1 1 14 CYS HB2 H 1.394 -3.324 -2.408 1.00 . A A . 14 CYS HB2 1 1 7 4312 1 1 14 CYS HB3 H -0.245 -3.947 -2.577 1.00 . A A . 14 CYS HB3 1 1 7 4313 1 1 14 CYS N N 1.690 -5.437 -3.926 1.00 . A A . 14 CYS N 1 1 7 4314 1 1 14 CYS O O -0.584 -6.799 -3.192 1.00 . A A . 14 CYS O 1 1 7 4315 1 1 14 CYS SG S 0.518 -4.048 -0.316 1.00 . A A . 14 CYS SG 1 1 7 4316 1 1 15 CYS C C -2.312 -7.431 -1.039 1.00 . A A . 15 CYS C 1 1 7 4317 1 1 15 CYS CA C -0.937 -8.084 -0.867 1.00 . A A . 15 CYS CA 1 1 7 4318 1 1 15 CYS CB C -0.758 -8.628 0.557 1.00 . A A . 15 CYS CB 1 1 7 4319 1 1 15 CYS H H 0.723 -6.811 -0.407 1.00 . A A . 15 CYS H 1 1 7 4320 1 1 15 CYS HA H -0.831 -8.889 -1.579 1.00 . A A . 15 CYS HA 1 1 7 4321 1 1 15 CYS HB2 H -0.089 -7.981 1.104 1.00 . A A . 15 CYS HB2 1 1 7 4322 1 1 15 CYS HB3 H -1.708 -8.662 1.054 1.00 . A A . 15 CYS HB3 1 1 7 4323 1 1 15 CYS N N 0.101 -7.063 -1.124 1.00 . A A . 15 CYS N 1 1 7 4324 1 1 15 CYS O O -2.555 -6.325 -0.580 1.00 . A A . 15 CYS O 1 1 7 4325 1 1 15 CYS SG S -0.051 -10.294 0.489 1.00 . A A . 15 CYS SG 1 1 7 4326 1 1 16 CYS C C -5.072 -6.970 -0.539 1.00 . A A . 16 CYS C 1 1 7 4327 1 1 16 CYS CA C -4.559 -7.472 -1.890 1.00 . A A . 16 CYS CA 1 1 7 4328 1 1 16 CYS CB C -5.553 -8.489 -2.469 1.00 . A A . 16 CYS CB 1 1 7 4329 1 1 16 CYS H H -3.011 -8.974 -2.076 1.00 . A A . 16 CYS H 1 1 7 4330 1 1 16 CYS HA H -4.464 -6.635 -2.565 1.00 . A A . 16 CYS HA 1 1 7 4331 1 1 16 CYS HB2 H -5.024 -9.390 -2.741 1.00 . A A . 16 CYS HB2 1 1 7 4332 1 1 16 CYS HB3 H -6.302 -8.728 -1.729 1.00 . A A . 16 CYS HB3 1 1 7 4333 1 1 16 CYS N N -3.217 -8.090 -1.701 1.00 . A A . 16 CYS N 1 1 7 4334 1 1 16 CYS O O -4.850 -7.580 0.488 1.00 . A A . 16 CYS O 1 1 7 4335 1 1 16 CYS SG S -6.354 -7.796 -3.943 1.00 . A A . 16 CYS SG 1 1 7 4336 1 1 17 GLY C C -5.289 -4.294 1.309 1.00 . A A . 17 GLY C 1 1 7 4337 1 1 17 GLY CA C -6.275 -5.301 0.745 1.00 . A A . 17 GLY CA 1 1 7 4338 1 1 17 GLY H H -5.912 -5.380 -1.374 1.00 . A A . 17 GLY H 1 1 7 4339 1 1 17 GLY HA2 H -7.204 -4.803 0.561 1.00 . A A . 17 GLY HA2 1 1 7 4340 1 1 17 GLY HA3 H -6.420 -6.097 1.460 1.00 . A A . 17 GLY HA3 1 1 7 4341 1 1 17 GLY N N -5.751 -5.856 -0.534 1.00 . A A . 17 GLY N 1 1 7 4342 1 1 17 GLY O O -5.542 -3.668 2.318 1.00 . A A . 17 GLY O 1 1 7 4343 1 1 18 TYR C C -2.768 -2.146 0.131 1.00 . A A . 18 TYR C 1 1 7 4344 1 1 18 TYR CA C -3.169 -3.152 1.198 1.00 . A A . 18 TYR CA 1 1 7 4345 1 1 18 TYR CB C -1.945 -3.909 1.675 1.00 . A A . 18 TYR CB 1 1 7 4346 1 1 18 TYR CD1 C -2.868 -4.127 3.990 1.00 . A A . 18 TYR CD1 1 1 7 4347 1 1 18 TYR CD2 C -2.198 -6.130 2.817 1.00 . A A . 18 TYR CD2 1 1 7 4348 1 1 18 TYR CE1 C -3.253 -4.892 5.093 1.00 . A A . 18 TYR CE1 1 1 7 4349 1 1 18 TYR CE2 C -2.580 -6.906 3.919 1.00 . A A . 18 TYR CE2 1 1 7 4350 1 1 18 TYR CG C -2.344 -4.744 2.858 1.00 . A A . 18 TYR CG 1 1 7 4351 1 1 18 TYR CZ C -3.108 -6.285 5.059 1.00 . A A . 18 TYR CZ 1 1 7 4352 1 1 18 TYR H H -3.965 -4.668 -0.182 1.00 . A A . 18 TYR H 1 1 7 4353 1 1 18 TYR HA H -3.598 -2.615 2.027 1.00 . A A . 18 TYR HA 1 1 7 4354 1 1 18 TYR HB2 H -1.591 -4.549 0.884 1.00 . A A . 18 TYR HB2 1 1 7 4355 1 1 18 TYR HB3 H -1.171 -3.215 1.958 1.00 . A A . 18 TYR HB3 1 1 7 4356 1 1 18 TYR HD1 H -2.977 -3.056 4.010 1.00 . A A . 18 TYR HD1 1 1 7 4357 1 1 18 TYR HD2 H -1.790 -6.598 1.933 1.00 . A A . 18 TYR HD2 1 1 7 4358 1 1 18 TYR HE1 H -3.660 -4.410 5.969 1.00 . A A . 18 TYR HE1 1 1 7 4359 1 1 18 TYR HE2 H -2.468 -7.981 3.890 1.00 . A A . 18 TYR HE2 1 1 7 4360 1 1 18 TYR HH H -2.732 -7.094 6.746 1.00 . A A . 18 TYR HH 1 1 7 4361 1 1 18 TYR N N -4.164 -4.128 0.674 1.00 . A A . 18 TYR N 1 1 7 4362 1 1 18 TYR O O -2.600 -2.478 -1.027 1.00 . A A . 18 TYR O 1 1 7 4363 1 1 18 TYR OH O -3.483 -7.042 6.149 1.00 . A A . 18 TYR OH 1 1 7 4364 1 1 19 ASN C C -0.680 0.337 -0.357 1.00 . A A . 19 ASN C 1 1 7 4365 1 1 19 ASN CA C -2.188 0.130 -0.464 1.00 . A A . 19 ASN CA 1 1 7 4366 1 1 19 ASN CB C -2.911 1.446 -0.169 1.00 . A A . 19 ASN CB 1 1 7 4367 1 1 19 ASN CG C -2.302 2.101 1.070 1.00 . A A . 19 ASN CG 1 1 7 4368 1 1 19 ASN H H -2.727 -0.671 1.474 1.00 . A A . 19 ASN H 1 1 7 4369 1 1 19 ASN HA H -2.436 -0.201 -1.462 1.00 . A A . 19 ASN HA 1 1 7 4370 1 1 19 ASN HB2 H -2.810 2.110 -1.014 1.00 . A A . 19 ASN HB2 1 1 7 4371 1 1 19 ASN HB3 H -3.958 1.246 0.090 1.00 . A A . 19 ASN HB3 1 1 7 4372 1 1 19 ASN HD21 H -2.215 3.911 0.245 1.00 . A A . 19 ASN HD21 1 1 7 4373 1 1 19 ASN HD22 H -1.635 3.809 1.837 1.00 . A A . 19 ASN HD22 1 1 7 4374 1 1 19 ASN N N -2.596 -0.910 0.522 1.00 . A A . 19 ASN N 1 1 7 4375 1 1 19 ASN ND2 N -2.029 3.379 1.050 1.00 . A A . 19 ASN ND2 1 1 7 4376 1 1 19 ASN O O -0.114 0.261 0.716 1.00 . A A . 19 ASN O 1 1 7 4377 1 1 19 ASN OD1 O -2.069 1.443 2.062 1.00 . A A . 19 ASN OD1 1 1 7 4378 1 1 20 CYS C C 1.767 2.256 -1.170 1.00 . A A . 20 CYS C 1 1 7 4379 1 1 20 CYS CA C 1.450 0.782 -1.424 1.00 . A A . 20 CYS CA 1 1 7 4380 1 1 20 CYS CB C 2.047 0.359 -2.768 1.00 . A A . 20 CYS CB 1 1 7 4381 1 1 20 CYS H H -0.504 0.635 -2.312 1.00 . A A . 20 CYS H 1 1 7 4382 1 1 20 CYS HA H 1.874 0.179 -0.642 1.00 . A A . 20 CYS HA 1 1 7 4383 1 1 20 CYS HB2 H 1.950 -0.710 -2.883 1.00 . A A . 20 CYS HB2 1 1 7 4384 1 1 20 CYS HB3 H 1.520 0.854 -3.565 1.00 . A A . 20 CYS HB3 1 1 7 4385 1 1 20 CYS N N -0.025 0.585 -1.459 1.00 . A A . 20 CYS N 1 1 7 4386 1 1 20 CYS O O 1.164 3.138 -1.749 1.00 . A A . 20 CYS O 1 1 7 4387 1 1 20 CYS SG S 3.800 0.811 -2.828 1.00 . A A . 20 CYS SG 1 1 7 4388 1 1 21 VAL C C 4.562 4.133 -0.296 1.00 . A A . 21 VAL C 1 1 7 4389 1 1 21 VAL CA C 3.076 3.945 -0.012 1.00 . A A . 21 VAL CA 1 1 7 4390 1 1 21 VAL CB C 2.800 4.236 1.466 1.00 . A A . 21 VAL CB 1 1 7 4391 1 1 21 VAL CG1 C 3.347 5.614 1.849 1.00 . A A . 21 VAL CG1 1 1 7 4392 1 1 21 VAL CG2 C 1.292 4.194 1.713 1.00 . A A . 21 VAL CG2 1 1 7 4393 1 1 21 VAL H H 3.185 1.798 0.144 1.00 . A A . 21 VAL H 1 1 7 4394 1 1 21 VAL HA H 2.499 4.616 -0.631 1.00 . A A . 21 VAL HA 1 1 7 4395 1 1 21 VAL HB H 3.283 3.485 2.069 1.00 . A A . 21 VAL HB 1 1 7 4396 1 1 21 VAL HG11 H 2.911 6.366 1.209 1.00 . A A . 21 VAL HG11 1 1 7 4397 1 1 21 VAL HG12 H 4.421 5.623 1.737 1.00 . A A . 21 VAL HG12 1 1 7 4398 1 1 21 VAL HG13 H 3.091 5.826 2.877 1.00 . A A . 21 VAL HG13 1 1 7 4399 1 1 21 VAL HG21 H 1.102 4.175 2.776 1.00 . A A . 21 VAL HG21 1 1 7 4400 1 1 21 VAL HG22 H 0.878 3.306 1.258 1.00 . A A . 21 VAL HG22 1 1 7 4401 1 1 21 VAL HG23 H 0.832 5.069 1.279 1.00 . A A . 21 VAL HG23 1 1 7 4402 1 1 21 VAL N N 2.712 2.527 -0.309 1.00 . A A . 21 VAL N 1 1 7 4403 1 1 21 VAL O O 5.381 3.355 0.141 1.00 . A A . 21 VAL O 1 1 7 4404 1 1 22 TYR C C 6.879 6.499 -0.417 1.00 . A A . 22 TYR C 1 1 7 4405 1 1 22 TYR CA C 6.363 5.376 -1.323 1.00 . A A . 22 TYR CA 1 1 7 4406 1 1 22 TYR CB C 6.492 5.786 -2.795 1.00 . A A . 22 TYR CB 1 1 7 4407 1 1 22 TYR CD1 C 8.991 6.174 -2.767 1.00 . A A . 22 TYR CD1 1 1 7 4408 1 1 22 TYR CD2 C 8.076 4.555 -4.325 1.00 . A A . 22 TYR CD2 1 1 7 4409 1 1 22 TYR CE1 C 10.279 5.907 -3.250 1.00 . A A . 22 TYR CE1 1 1 7 4410 1 1 22 TYR CE2 C 9.362 4.290 -4.807 1.00 . A A . 22 TYR CE2 1 1 7 4411 1 1 22 TYR CG C 7.889 5.497 -3.303 1.00 . A A . 22 TYR CG 1 1 7 4412 1 1 22 TYR CZ C 10.465 4.965 -4.271 1.00 . A A . 22 TYR CZ 1 1 7 4413 1 1 22 TYR H H 4.212 5.804 -1.379 1.00 . A A . 22 TYR H 1 1 7 4414 1 1 22 TYR HA H 6.926 4.473 -1.144 1.00 . A A . 22 TYR HA 1 1 7 4415 1 1 22 TYR HB2 H 5.777 5.229 -3.380 1.00 . A A . 22 TYR HB2 1 1 7 4416 1 1 22 TYR HB3 H 6.287 6.842 -2.895 1.00 . A A . 22 TYR HB3 1 1 7 4417 1 1 22 TYR HD1 H 8.852 6.900 -1.981 1.00 . A A . 22 TYR HD1 1 1 7 4418 1 1 22 TYR HD2 H 7.226 4.033 -4.740 1.00 . A A . 22 TYR HD2 1 1 7 4419 1 1 22 TYR HE1 H 11.129 6.429 -2.837 1.00 . A A . 22 TYR HE1 1 1 7 4420 1 1 22 TYR HE2 H 9.506 3.564 -5.594 1.00 . A A . 22 TYR HE2 1 1 7 4421 1 1 22 TYR HH H 11.839 5.167 -5.581 1.00 . A A . 22 TYR HH 1 1 7 4422 1 1 22 TYR N N 4.922 5.152 -1.018 1.00 . A A . 22 TYR N 1 1 7 4423 1 1 22 TYR O O 6.353 7.593 -0.422 1.00 . A A . 22 TYR O 1 1 7 4424 1 1 22 TYR OH O 11.733 4.704 -4.747 1.00 . A A . 22 TYR OH 1 1 7 4425 1 1 23 ALA C C 9.475 8.138 0.531 1.00 . A A . 23 ALA C 1 1 7 4426 1 1 23 ALA CA C 8.406 7.325 1.265 1.00 . A A . 23 ALA CA 1 1 7 4427 1 1 23 ALA CB C 8.997 6.705 2.535 1.00 . A A . 23 ALA CB 1 1 7 4428 1 1 23 ALA H H 8.315 5.358 0.376 1.00 . A A . 23 ALA H 1 1 7 4429 1 1 23 ALA HA H 7.589 7.981 1.534 1.00 . A A . 23 ALA HA 1 1 7 4430 1 1 23 ALA HB1 H 10.057 6.546 2.404 1.00 . A A . 23 ALA HB1 1 1 7 4431 1 1 23 ALA HB2 H 8.511 5.762 2.732 1.00 . A A . 23 ALA HB2 1 1 7 4432 1 1 23 ALA HB3 H 8.832 7.373 3.367 1.00 . A A . 23 ALA HB3 1 1 7 4433 1 1 23 ALA N N 7.896 6.249 0.368 1.00 . A A . 23 ALA N 1 1 7 4434 1 1 23 ALA O O 10.527 7.639 0.184 1.00 . A A . 23 ALA O 1 1 7 4435 1 1 24 TRP C C 11.562 10.149 0.241 1.00 . A A . 24 TRP C 1 1 7 4436 1 1 24 TRP CA C 10.178 10.261 -0.420 1.00 . A A . 24 TRP CA 1 1 7 4437 1 1 24 TRP CB C 9.690 11.718 -0.374 1.00 . A A . 24 TRP CB 1 1 7 4438 1 1 24 TRP CD1 C 9.304 11.826 2.112 1.00 . A A . 24 TRP CD1 1 1 7 4439 1 1 24 TRP CD2 C 7.432 12.248 0.943 1.00 . A A . 24 TRP CD2 1 1 7 4440 1 1 24 TRP CE2 C 7.081 12.332 2.311 1.00 . A A . 24 TRP CE2 1 1 7 4441 1 1 24 TRP CE3 C 6.427 12.474 -0.015 1.00 . A A . 24 TRP CE3 1 1 7 4442 1 1 24 TRP CG C 8.851 11.920 0.848 1.00 . A A . 24 TRP CG 1 1 7 4443 1 1 24 TRP CH2 C 4.792 12.854 1.749 1.00 . A A . 24 TRP CH2 1 1 7 4444 1 1 24 TRP CZ2 C 5.779 12.632 2.715 1.00 . A A . 24 TRP CZ2 1 1 7 4445 1 1 24 TRP CZ3 C 5.115 12.775 0.387 1.00 . A A . 24 TRP CZ3 1 1 7 4446 1 1 24 TRP H H 8.340 9.760 0.580 1.00 . A A . 24 TRP H 1 1 7 4447 1 1 24 TRP HA H 10.251 9.944 -1.451 1.00 . A A . 24 TRP HA 1 1 7 4448 1 1 24 TRP HB2 H 10.538 12.385 -0.342 1.00 . A A . 24 TRP HB2 1 1 7 4449 1 1 24 TRP HB3 H 9.098 11.929 -1.254 1.00 . A A . 24 TRP HB3 1 1 7 4450 1 1 24 TRP HD1 H 10.317 11.595 2.391 1.00 . A A . 24 TRP HD1 1 1 7 4451 1 1 24 TRP HE1 H 8.321 12.051 3.964 1.00 . A A . 24 TRP HE1 1 1 7 4452 1 1 24 TRP HE3 H 6.665 12.417 -1.067 1.00 . A A . 24 TRP HE3 1 1 7 4453 1 1 24 TRP HH2 H 3.781 13.086 2.053 1.00 . A A . 24 TRP HH2 1 1 7 4454 1 1 24 TRP HZ2 H 5.535 12.691 3.765 1.00 . A A . 24 TRP HZ2 1 1 7 4455 1 1 24 TRP HZ3 H 4.351 12.948 -0.357 1.00 . A A . 24 TRP HZ3 1 1 7 4456 1 1 24 TRP N N 9.200 9.390 0.291 1.00 . A A . 24 TRP N 1 1 7 4457 1 1 24 TRP NE1 N 8.257 12.064 2.985 1.00 . A A . 24 TRP NE1 1 1 7 4458 1 1 24 TRP O O 12.577 10.348 -0.400 1.00 . A A . 24 TRP O 1 1 7 4459 1 1 25 TYR C C 13.362 8.256 2.298 1.00 . A A . 25 TYR C 1 1 7 4460 1 1 25 TYR CA C 12.944 9.723 2.199 1.00 . A A . 25 TYR CA 1 1 7 4461 1 1 25 TYR CB C 12.881 10.335 3.610 1.00 . A A . 25 TYR CB 1 1 7 4462 1 1 25 TYR CD1 C 11.430 8.540 4.657 1.00 . A A . 25 TYR CD1 1 1 7 4463 1 1 25 TYR CD2 C 10.661 10.841 4.705 1.00 . A A . 25 TYR CD2 1 1 7 4464 1 1 25 TYR CE1 C 10.270 8.139 5.331 1.00 . A A . 25 TYR CE1 1 1 7 4465 1 1 25 TYR CE2 C 9.502 10.438 5.379 1.00 . A A . 25 TYR CE2 1 1 7 4466 1 1 25 TYR CG C 11.628 9.892 4.341 1.00 . A A . 25 TYR CG 1 1 7 4467 1 1 25 TYR CZ C 9.306 9.089 5.690 1.00 . A A . 25 TYR CZ 1 1 7 4468 1 1 25 TYR H H 10.748 9.670 2.041 1.00 . A A . 25 TYR H 1 1 7 4469 1 1 25 TYR HA H 13.687 10.255 1.620 1.00 . A A . 25 TYR HA 1 1 7 4470 1 1 25 TYR HB2 H 13.747 10.020 4.173 1.00 . A A . 25 TYR HB2 1 1 7 4471 1 1 25 TYR HB3 H 12.885 11.412 3.528 1.00 . A A . 25 TYR HB3 1 1 7 4472 1 1 25 TYR HD1 H 12.170 7.807 4.385 1.00 . A A . 25 TYR HD1 1 1 7 4473 1 1 25 TYR HD2 H 10.812 11.885 4.471 1.00 . A A . 25 TYR HD2 1 1 7 4474 1 1 25 TYR HE1 H 10.118 7.096 5.571 1.00 . A A . 25 TYR HE1 1 1 7 4475 1 1 25 TYR HE2 H 8.761 11.172 5.657 1.00 . A A . 25 TYR HE2 1 1 7 4476 1 1 25 TYR HH H 8.319 8.787 7.297 1.00 . A A . 25 TYR HH 1 1 7 4477 1 1 25 TYR N N 11.617 9.837 1.513 1.00 . A A . 25 TYR N 1 1 7 4478 1 1 25 TYR O O 12.566 7.362 2.109 1.00 . A A . 25 TYR O 1 1 7 4479 1 1 25 TYR OH O 8.163 8.693 6.355 1.00 . A A . 25 TYR OH 1 1 7 4480 1 1 26 ASN C C 14.636 5.764 1.531 1.00 . A A . 26 ASN C 1 1 7 4481 1 1 26 ASN CA C 15.137 6.619 2.701 1.00 . A A . 26 ASN CA 1 1 7 4482 1 1 26 ASN CB C 14.725 6.016 4.058 1.00 . A A . 26 ASN CB 1 1 7 4483 1 1 26 ASN CG C 13.336 5.370 4.000 1.00 . A A . 26 ASN CG 1 1 7 4484 1 1 26 ASN H H 15.232 8.770 2.719 1.00 . A A . 26 ASN H 1 1 7 4485 1 1 26 ASN HA H 16.216 6.660 2.656 1.00 . A A . 26 ASN HA 1 1 7 4486 1 1 26 ASN HB2 H 15.450 5.265 4.343 1.00 . A A . 26 ASN HB2 1 1 7 4487 1 1 26 ASN HB3 H 14.720 6.798 4.804 1.00 . A A . 26 ASN HB3 1 1 7 4488 1 1 26 ASN HD21 H 12.856 6.138 2.235 1.00 . A A . 26 ASN HD21 1 1 7 4489 1 1 26 ASN HD22 H 11.670 5.159 2.946 1.00 . A A . 26 ASN HD22 1 1 7 4490 1 1 26 ASN N N 14.618 8.017 2.583 1.00 . A A . 26 ASN N 1 1 7 4491 1 1 26 ASN ND2 N 12.559 5.572 2.975 1.00 . A A . 26 ASN ND2 1 1 7 4492 1 1 26 ASN O O 14.739 4.554 1.548 1.00 . A A . 26 ASN O 1 1 7 4493 1 1 26 ASN OD1 O 12.950 4.672 4.918 1.00 . A A . 26 ASN OD1 1 1 7 4494 1 1 27 GLN C C 13.013 4.290 -0.268 1.00 . A A . 27 GLN C 1 1 7 4495 1 1 27 GLN CA C 13.600 5.644 -0.679 1.00 . A A . 27 GLN CA 1 1 7 4496 1 1 27 GLN CB C 14.748 5.423 -1.668 1.00 . A A . 27 GLN CB 1 1 7 4497 1 1 27 GLN CD C 13.987 7.229 -3.224 1.00 . A A . 27 GLN CD 1 1 7 4498 1 1 27 GLN CG C 15.130 6.754 -2.321 1.00 . A A . 27 GLN CG 1 1 7 4499 1 1 27 GLN H H 14.046 7.373 0.528 1.00 . A A . 27 GLN H 1 1 7 4500 1 1 27 GLN HA H 12.828 6.227 -1.160 1.00 . A A . 27 GLN HA 1 1 7 4501 1 1 27 GLN HB2 H 15.601 5.022 -1.140 1.00 . A A . 27 GLN HB2 1 1 7 4502 1 1 27 GLN HB3 H 14.436 4.725 -2.430 1.00 . A A . 27 GLN HB3 1 1 7 4503 1 1 27 GLN HE21 H 13.939 9.057 -2.450 1.00 . A A . 27 GLN HE21 1 1 7 4504 1 1 27 GLN HE22 H 12.811 8.760 -3.686 1.00 . A A . 27 GLN HE22 1 1 7 4505 1 1 27 GLN HG2 H 15.313 7.489 -1.552 1.00 . A A . 27 GLN HG2 1 1 7 4506 1 1 27 GLN HG3 H 16.023 6.621 -2.912 1.00 . A A . 27 GLN HG3 1 1 7 4507 1 1 27 GLN N N 14.105 6.394 0.512 1.00 . A A . 27 GLN N 1 1 7 4508 1 1 27 GLN NE2 N 13.543 8.450 -3.110 1.00 . A A . 27 GLN NE2 1 1 7 4509 1 1 27 GLN O O 13.285 3.278 -0.883 1.00 . A A . 27 GLN O 1 1 7 4510 1 1 27 GLN OE1 O 13.495 6.479 -4.044 1.00 . A A . 27 GLN OE1 1 1 7 4511 1 1 28 GLN C C 10.058 3.093 1.113 1.00 . A A . 28 GLN C 1 1 7 4512 1 1 28 GLN CA C 11.580 2.975 1.193 1.00 . A A . 28 GLN CA 1 1 7 4513 1 1 28 GLN CB C 11.999 2.654 2.634 1.00 . A A . 28 GLN CB 1 1 7 4514 1 1 28 GLN CD C 12.385 0.295 3.431 1.00 . A A . 28 GLN CD 1 1 7 4515 1 1 28 GLN CG C 11.325 1.347 3.100 1.00 . A A . 28 GLN CG 1 1 7 4516 1 1 28 GLN H H 11.985 5.095 1.230 1.00 . A A . 28 GLN H 1 1 7 4517 1 1 28 GLN HA H 11.908 2.176 0.541 1.00 . A A . 28 GLN HA 1 1 7 4518 1 1 28 GLN HB2 H 13.075 2.546 2.679 1.00 . A A . 28 GLN HB2 1 1 7 4519 1 1 28 GLN HB3 H 11.695 3.459 3.282 1.00 . A A . 28 GLN HB3 1 1 7 4520 1 1 28 GLN HE21 H 11.475 -1.144 2.409 1.00 . A A . 28 GLN HE21 1 1 7 4521 1 1 28 GLN HE22 H 12.920 -1.601 3.174 1.00 . A A . 28 GLN HE22 1 1 7 4522 1 1 28 GLN HG2 H 10.734 1.544 3.983 1.00 . A A . 28 GLN HG2 1 1 7 4523 1 1 28 GLN HG3 H 10.681 0.967 2.320 1.00 . A A . 28 GLN HG3 1 1 7 4524 1 1 28 GLN N N 12.199 4.264 0.756 1.00 . A A . 28 GLN N 1 1 7 4525 1 1 28 GLN NE2 N 12.250 -0.917 2.965 1.00 . A A . 28 GLN NE2 1 1 7 4526 1 1 28 GLN O O 9.463 4.004 1.656 1.00 . A A . 28 GLN O 1 1 7 4527 1 1 28 GLN OE1 O 13.344 0.576 4.124 1.00 . A A . 28 GLN OE1 1 1 7 4528 1 1 29 SER C C 7.349 1.187 1.294 1.00 . A A . 29 SER C 1 1 7 4529 1 1 29 SER CA C 7.940 2.204 0.315 1.00 . A A . 29 SER CA 1 1 7 4530 1 1 29 SER CB C 7.559 1.820 -1.113 1.00 . A A . 29 SER CB 1 1 7 4531 1 1 29 SER H H 9.933 1.451 0.011 1.00 . A A . 29 SER H 1 1 7 4532 1 1 29 SER HA H 7.570 3.190 0.544 1.00 . A A . 29 SER HA 1 1 7 4533 1 1 29 SER HB2 H 7.750 0.773 -1.259 1.00 . A A . 29 SER HB2 1 1 7 4534 1 1 29 SER HB3 H 6.512 2.020 -1.278 1.00 . A A . 29 SER HB3 1 1 7 4535 1 1 29 SER HG H 9.100 2.923 -1.550 1.00 . A A . 29 SER HG 1 1 7 4536 1 1 29 SER N N 9.428 2.174 0.438 1.00 . A A . 29 SER N 1 1 7 4537 1 1 29 SER O O 7.970 0.197 1.592 1.00 . A A . 29 SER O 1 1 7 4538 1 1 29 SER OG O 8.351 2.563 -2.028 1.00 . A A . 29 SER OG 1 1 7 4539 1 1 30 SER C C 4.038 0.390 2.628 1.00 . A A . 30 SER C 1 1 7 4540 1 1 30 SER CA C 5.568 0.421 2.742 1.00 . A A . 30 SER CA 1 1 7 4541 1 1 30 SER CB C 5.968 0.788 4.171 1.00 . A A . 30 SER CB 1 1 7 4542 1 1 30 SER H H 5.655 2.190 1.547 1.00 . A A . 30 SER H 1 1 7 4543 1 1 30 SER HA H 5.954 -0.537 2.505 1.00 . A A . 30 SER HA 1 1 7 4544 1 1 30 SER HB2 H 7.025 0.622 4.304 1.00 . A A . 30 SER HB2 1 1 7 4545 1 1 30 SER HB3 H 5.746 1.833 4.348 1.00 . A A . 30 SER HB3 1 1 7 4546 1 1 30 SER HG H 4.311 0.118 4.935 1.00 . A A . 30 SER HG 1 1 7 4547 1 1 30 SER N N 6.155 1.403 1.794 1.00 . A A . 30 SER N 1 1 7 4548 1 1 30 SER O O 3.382 1.406 2.672 1.00 . A A . 30 SER O 1 1 7 4549 1 1 30 SER OG O 5.248 -0.027 5.084 1.00 . A A . 30 SER OG 1 1 7 4550 1 1 31 CYS C C 1.296 -0.643 3.716 1.00 . A A . 31 CYS C 1 1 7 4551 1 1 31 CYS CA C 1.984 -0.890 2.367 1.00 . A A . 31 CYS CA 1 1 7 4552 1 1 31 CYS CB C 1.606 -2.284 1.862 1.00 . A A . 31 CYS CB 1 1 7 4553 1 1 31 CYS H H 4.022 -1.591 2.453 1.00 . A A . 31 CYS H 1 1 7 4554 1 1 31 CYS HA H 1.641 -0.153 1.662 1.00 . A A . 31 CYS HA 1 1 7 4555 1 1 31 CYS HB2 H 2.464 -2.934 1.901 1.00 . A A . 31 CYS HB2 1 1 7 4556 1 1 31 CYS HB3 H 0.824 -2.695 2.479 1.00 . A A . 31 CYS HB3 1 1 7 4557 1 1 31 CYS N N 3.470 -0.780 2.483 1.00 . A A . 31 CYS N 1 1 7 4558 1 1 31 CYS O O 1.891 -0.784 4.763 1.00 . A A . 31 CYS O 1 1 7 4559 1 1 31 CYS SG S 1.022 -2.162 0.158 1.00 . A A . 31 CYS SG 1 1 7 4560 1 1 32 GLU C C -2.179 -0.553 4.820 1.00 . A A . 32 GLU C 1 1 7 4561 1 1 32 GLU CA C -0.717 -0.100 4.973 1.00 . A A . 32 GLU CA 1 1 7 4562 1 1 32 GLU CB C -0.623 1.370 5.418 1.00 . A A . 32 GLU CB 1 1 7 4563 1 1 32 GLU CD C -2.093 3.377 5.682 1.00 . A A . 32 GLU CD 1 1 7 4564 1 1 32 GLU CG C -1.718 2.210 4.763 1.00 . A A . 32 GLU CG 1 1 7 4565 1 1 32 GLU H H -0.442 -0.227 2.828 1.00 . A A . 32 GLU H 1 1 7 4566 1 1 32 GLU HA H -0.265 -0.710 5.729 1.00 . A A . 32 GLU HA 1 1 7 4567 1 1 32 GLU HB2 H -0.723 1.422 6.490 1.00 . A A . 32 GLU HB2 1 1 7 4568 1 1 32 GLU HB3 H 0.343 1.761 5.134 1.00 . A A . 32 GLU HB3 1 1 7 4569 1 1 32 GLU HG2 H -1.357 2.597 3.823 1.00 . A A . 32 GLU HG2 1 1 7 4570 1 1 32 GLU HG3 H -2.583 1.597 4.595 1.00 . A A . 32 GLU HG3 1 1 7 4571 1 1 32 GLU N N 0.024 -0.311 3.692 1.00 . A A . 32 GLU N 1 1 7 4572 1 1 32 GLU O O -2.698 -0.675 3.719 1.00 . A A . 32 GLU O 1 1 7 4573 1 1 32 GLU OE1 O -1.471 4.419 5.564 1.00 . A A . 32 GLU OE1 1 1 7 4574 1 1 32 GLU OE2 O -2.993 3.205 6.487 1.00 . A A . 32 GLU OE2 1 1 7 4575 1 1 33 ARG C C -5.183 -0.286 5.288 1.00 . A A . 33 ARG C 1 1 7 4576 1 1 33 ARG CA C -4.238 -1.308 5.924 1.00 . A A . 33 ARG CA 1 1 7 4577 1 1 33 ARG CB C -4.660 -1.629 7.374 1.00 . A A . 33 ARG CB 1 1 7 4578 1 1 33 ARG CD C -4.481 0.690 8.384 1.00 . A A . 33 ARG CD 1 1 7 4579 1 1 33 ARG CG C -5.430 -0.470 8.038 1.00 . A A . 33 ARG CG 1 1 7 4580 1 1 33 ARG CZ C -4.241 2.074 10.368 1.00 . A A . 33 ARG CZ 1 1 7 4581 1 1 33 ARG H H -2.356 -0.735 6.789 1.00 . A A . 33 ARG H 1 1 7 4582 1 1 33 ARG HA H -4.291 -2.219 5.348 1.00 . A A . 33 ARG HA 1 1 7 4583 1 1 33 ARG HB2 H -5.293 -2.506 7.371 1.00 . A A . 33 ARG HB2 1 1 7 4584 1 1 33 ARG HB3 H -3.777 -1.843 7.952 1.00 . A A . 33 ARG HB3 1 1 7 4585 1 1 33 ARG HD2 H -3.504 0.306 8.621 1.00 . A A . 33 ARG HD2 1 1 7 4586 1 1 33 ARG HD3 H -4.406 1.361 7.544 1.00 . A A . 33 ARG HD3 1 1 7 4587 1 1 33 ARG HE H -6.003 1.427 9.720 1.00 . A A . 33 ARG HE 1 1 7 4588 1 1 33 ARG HG2 H -6.205 -0.119 7.380 1.00 . A A . 33 ARG HG2 1 1 7 4589 1 1 33 ARG HG3 H -5.885 -0.832 8.949 1.00 . A A . 33 ARG HG3 1 1 7 4590 1 1 33 ARG HH11 H -2.570 1.580 9.387 1.00 . A A . 33 ARG HH11 1 1 7 4591 1 1 33 ARG HH12 H -2.349 2.569 10.790 1.00 . A A . 33 ARG HH12 1 1 7 4592 1 1 33 ARG HH21 H -5.723 2.721 11.552 1.00 . A A . 33 ARG HH21 1 1 7 4593 1 1 33 ARG HH22 H -4.128 3.215 12.012 1.00 . A A . 33 ARG HH22 1 1 7 4594 1 1 33 ARG N N -2.822 -0.828 5.932 1.00 . A A . 33 ARG N 1 1 7 4595 1 1 33 ARG NE N -5.036 1.428 9.556 1.00 . A A . 33 ARG NE 1 1 7 4596 1 1 33 ARG NH1 N -2.953 2.076 10.164 1.00 . A A . 33 ARG NH1 1 1 7 4597 1 1 33 ARG NH2 N -4.737 2.721 11.390 1.00 . A A . 33 ARG NH2 1 1 7 4598 1 1 33 ARG O O -5.169 0.880 5.611 1.00 . A A . 33 ARG O 1 1 7 4599 1 1 34 LYS C C -8.255 -0.662 3.375 1.00 . A A . 34 LYS C 1 1 7 4600 1 1 34 LYS CA C -7.014 0.157 3.741 1.00 . A A . 34 LYS CA 1 1 7 4601 1 1 34 LYS CB C -6.421 0.781 2.466 1.00 . A A . 34 LYS CB 1 1 7 4602 1 1 34 LYS CD C -5.856 3.248 2.336 1.00 . A A . 34 LYS CD 1 1 7 4603 1 1 34 LYS CE C -5.581 3.402 0.836 1.00 . A A . 34 LYS CE 1 1 7 4604 1 1 34 LYS CG C -5.388 1.870 2.829 1.00 . A A . 34 LYS CG 1 1 7 4605 1 1 34 LYS H H -6.039 -1.682 4.182 1.00 . A A . 34 LYS H 1 1 7 4606 1 1 34 LYS HA H -7.286 0.927 4.430 1.00 . A A . 34 LYS HA 1 1 7 4607 1 1 34 LYS HB2 H -5.933 0.050 1.890 1.00 . A A . 34 LYS HB2 1 1 7 4608 1 1 34 LYS HB3 H -7.215 1.213 1.878 1.00 . A A . 34 LYS HB3 1 1 7 4609 1 1 34 LYS HD2 H -6.914 3.356 2.520 1.00 . A A . 34 LYS HD2 1 1 7 4610 1 1 34 LYS HD3 H -5.321 4.016 2.876 1.00 . A A . 34 LYS HD3 1 1 7 4611 1 1 34 LYS HE2 H -4.522 3.327 0.657 1.00 . A A . 34 LYS HE2 1 1 7 4612 1 1 34 LYS HE3 H -6.098 2.627 0.291 1.00 . A A . 34 LYS HE3 1 1 7 4613 1 1 34 LYS HG2 H -5.261 1.909 3.898 1.00 . A A . 34 LYS HG2 1 1 7 4614 1 1 34 LYS HG3 H -4.442 1.632 2.371 1.00 . A A . 34 LYS HG3 1 1 7 4615 1 1 34 LYS HZ1 H -5.612 5.479 0.954 1.00 . A A . 34 LYS HZ1 1 1 7 4616 1 1 34 LYS HZ2 H -7.089 4.792 0.486 1.00 . A A . 34 LYS HZ2 1 1 7 4617 1 1 34 LYS HZ3 H -5.802 4.872 -0.622 1.00 . A A . 34 LYS HZ3 1 1 7 4618 1 1 34 LYS N N -6.031 -0.741 4.397 1.00 . A A . 34 LYS N 1 1 7 4619 1 1 34 LYS NZ N -6.058 4.737 0.378 1.00 . A A . 34 LYS NZ 1 1 7 4620 1 1 34 LYS O O -8.839 -0.487 2.327 1.00 . A A . 34 LYS O 1 1 7 4621 1 1 35 TRP C C -9.606 -3.305 2.757 1.00 . A A . 35 TRP C 1 1 7 4622 1 1 35 TRP CA C -9.857 -2.407 3.974 1.00 . A A . 35 TRP CA 1 1 7 4623 1 1 35 TRP CB C -11.068 -1.500 3.733 1.00 . A A . 35 TRP CB 1 1 7 4624 1 1 35 TRP CD1 C -10.417 -0.478 5.970 1.00 . A A . 35 TRP CD1 1 1 7 4625 1 1 35 TRP CD2 C -12.069 0.648 4.942 1.00 . A A . 35 TRP CD2 1 1 7 4626 1 1 35 TRP CE2 C -11.819 1.320 6.161 1.00 . A A . 35 TRP CE2 1 1 7 4627 1 1 35 TRP CE3 C -13.070 1.155 4.101 1.00 . A A . 35 TRP CE3 1 1 7 4628 1 1 35 TRP CG C -11.168 -0.490 4.840 1.00 . A A . 35 TRP CG 1 1 7 4629 1 1 35 TRP CH2 C -13.535 2.946 5.679 1.00 . A A . 35 TRP CH2 1 1 7 4630 1 1 35 TRP CZ2 C -12.540 2.456 6.531 1.00 . A A . 35 TRP CZ2 1 1 7 4631 1 1 35 TRP CZ3 C -13.799 2.297 4.466 1.00 . A A . 35 TRP CZ3 1 1 7 4632 1 1 35 TRP H H -8.157 -1.676 5.083 1.00 . A A . 35 TRP H 1 1 7 4633 1 1 35 TRP HA H -10.049 -3.031 4.834 1.00 . A A . 35 TRP HA 1 1 7 4634 1 1 35 TRP HB2 H -10.960 -0.992 2.787 1.00 . A A . 35 TRP HB2 1 1 7 4635 1 1 35 TRP HB3 H -11.967 -2.100 3.715 1.00 . A A . 35 TRP HB3 1 1 7 4636 1 1 35 TRP HD1 H -9.644 -1.187 6.220 1.00 . A A . 35 TRP HD1 1 1 7 4637 1 1 35 TRP HE1 H -10.414 0.834 7.621 1.00 . A A . 35 TRP HE1 1 1 7 4638 1 1 35 TRP HE3 H -13.277 0.663 3.165 1.00 . A A . 35 TRP HE3 1 1 7 4639 1 1 35 TRP HH2 H -14.098 3.825 5.954 1.00 . A A . 35 TRP HH2 1 1 7 4640 1 1 35 TRP HZ2 H -12.331 2.949 7.467 1.00 . A A . 35 TRP HZ2 1 1 7 4641 1 1 35 TRP HZ3 H -14.568 2.676 3.808 1.00 . A A . 35 TRP HZ3 1 1 7 4642 1 1 35 TRP N N -8.654 -1.559 4.245 1.00 . A A . 35 TRP N 1 1 7 4643 1 1 35 TRP NE1 N -10.802 0.598 6.751 1.00 . A A . 35 TRP NE1 1 1 7 4644 1 1 35 TRP O O -8.476 -3.533 2.369 1.00 . A A . 35 TRP O 1 1 7 4645 1 1 36 LYS C C -11.742 -5.136 0.334 1.00 . A A . 36 LYS C 1 1 7 4646 1 1 36 LYS CA C -10.414 -4.755 1.005 1.00 . A A . 36 LYS CA 1 1 7 4647 1 1 36 LYS CB C -9.721 -6.033 1.498 1.00 . A A . 36 LYS CB 1 1 7 4648 1 1 36 LYS CD C -11.339 -7.755 2.438 1.00 . A A . 36 LYS CD 1 1 7 4649 1 1 36 LYS CE C -10.607 -9.081 2.657 1.00 . A A . 36 LYS CE 1 1 7 4650 1 1 36 LYS CG C -10.413 -6.568 2.771 1.00 . A A . 36 LYS CG 1 1 7 4651 1 1 36 LYS H H -11.544 -3.689 2.495 1.00 . A A . 36 LYS H 1 1 7 4652 1 1 36 LYS HA H -9.776 -4.264 0.286 1.00 . A A . 36 LYS HA 1 1 7 4653 1 1 36 LYS HB2 H -9.750 -6.779 0.720 1.00 . A A . 36 LYS HB2 1 1 7 4654 1 1 36 LYS HB3 H -8.695 -5.804 1.731 1.00 . A A . 36 LYS HB3 1 1 7 4655 1 1 36 LYS HD2 H -12.199 -7.722 3.089 1.00 . A A . 36 LYS HD2 1 1 7 4656 1 1 36 LYS HD3 H -11.664 -7.690 1.412 1.00 . A A . 36 LYS HD3 1 1 7 4657 1 1 36 LYS HE2 H -10.524 -9.275 3.715 1.00 . A A . 36 LYS HE2 1 1 7 4658 1 1 36 LYS HE3 H -11.165 -9.879 2.188 1.00 . A A . 36 LYS HE3 1 1 7 4659 1 1 36 LYS HG2 H -9.661 -6.892 3.475 1.00 . A A . 36 LYS HG2 1 1 7 4660 1 1 36 LYS HG3 H -10.999 -5.780 3.222 1.00 . A A . 36 LYS HG3 1 1 7 4661 1 1 36 LYS HZ1 H -8.594 -8.560 2.730 1.00 . A A . 36 LYS HZ1 1 1 7 4662 1 1 36 LYS HZ2 H -9.283 -8.447 1.184 1.00 . A A . 36 LYS HZ2 1 1 7 4663 1 1 36 LYS HZ3 H -8.916 -9.969 1.839 1.00 . A A . 36 LYS HZ3 1 1 7 4664 1 1 36 LYS N N -10.638 -3.850 2.166 1.00 . A A . 36 LYS N 1 1 7 4665 1 1 36 LYS NZ N -9.247 -9.008 2.058 1.00 . A A . 36 LYS NZ 1 1 7 4666 1 1 36 LYS O O -11.833 -6.153 -0.325 1.00 . A A . 36 LYS O 1 1 7 4667 1 1 37 TYR C C -14.617 -3.458 -0.924 1.00 . A A . 37 TYR C 1 1 7 4668 1 1 37 TYR CA C -14.082 -4.675 -0.160 1.00 . A A . 37 TYR CA 1 1 7 4669 1 1 37 TYR CB C -15.090 -5.089 0.931 1.00 . A A . 37 TYR CB 1 1 7 4670 1 1 37 TYR CD1 C -14.823 -7.582 1.268 1.00 . A A . 37 TYR CD1 1 1 7 4671 1 1 37 TYR CD2 C -16.701 -6.777 -0.036 1.00 . A A . 37 TYR CD2 1 1 7 4672 1 1 37 TYR CE1 C -15.249 -8.901 1.068 1.00 . A A . 37 TYR CE1 1 1 7 4673 1 1 37 TYR CE2 C -17.128 -8.097 -0.235 1.00 . A A . 37 TYR CE2 1 1 7 4674 1 1 37 TYR CG C -15.547 -6.518 0.715 1.00 . A A . 37 TYR CG 1 1 7 4675 1 1 37 TYR CZ C -16.402 -9.158 0.315 1.00 . A A . 37 TYR CZ 1 1 7 4676 1 1 37 TYR H H -12.677 -3.480 1.047 1.00 . A A . 37 TYR H 1 1 7 4677 1 1 37 TYR HA H -13.943 -5.490 -0.852 1.00 . A A . 37 TYR HA 1 1 7 4678 1 1 37 TYR HB2 H -14.615 -5.014 1.899 1.00 . A A . 37 TYR HB2 1 1 7 4679 1 1 37 TYR HB3 H -15.947 -4.434 0.905 1.00 . A A . 37 TYR HB3 1 1 7 4680 1 1 37 TYR HD1 H -13.936 -7.385 1.847 1.00 . A A . 37 TYR HD1 1 1 7 4681 1 1 37 TYR HD2 H -17.262 -5.959 -0.461 1.00 . A A . 37 TYR HD2 1 1 7 4682 1 1 37 TYR HE1 H -14.689 -9.721 1.496 1.00 . A A . 37 TYR HE1 1 1 7 4683 1 1 37 TYR HE2 H -18.016 -8.294 -0.816 1.00 . A A . 37 TYR HE2 1 1 7 4684 1 1 37 TYR HH H -16.070 -11.038 0.256 1.00 . A A . 37 TYR HH 1 1 7 4685 1 1 37 TYR N N -12.769 -4.339 0.485 1.00 . A A . 37 TYR N 1 1 7 4686 1 1 37 TYR O O -15.609 -3.539 -1.624 1.00 . A A . 37 TYR O 1 1 7 4687 1 1 37 TYR OH O -16.822 -10.458 0.117 1.00 . A A . 37 TYR OH 1 1 7 4688 1 1 38 LEU C C -14.396 -1.272 -2.998 1.00 . A A . 38 LEU C 1 1 7 4689 1 1 38 LEU CA C -14.457 -1.110 -1.479 1.00 . A A . 38 LEU CA 1 1 7 4690 1 1 38 LEU CB C -13.592 0.077 -1.044 1.00 . A A . 38 LEU CB 1 1 7 4691 1 1 38 LEU CD1 C -15.272 1.689 -0.106 1.00 . A A . 38 LEU CD1 1 1 7 4692 1 1 38 LEU CD2 C -14.705 -0.384 1.186 1.00 . A A . 38 LEU CD2 1 1 7 4693 1 1 38 LEU CG C -14.152 0.702 0.246 1.00 . A A . 38 LEU CG 1 1 7 4694 1 1 38 LEU H H -13.201 -2.287 -0.209 1.00 . A A . 38 LEU H 1 1 7 4695 1 1 38 LEU HA H -15.472 -0.928 -1.198 1.00 . A A . 38 LEU HA 1 1 7 4696 1 1 38 LEU HB2 H -12.583 -0.266 -0.864 1.00 . A A . 38 LEU HB2 1 1 7 4697 1 1 38 LEU HB3 H -13.580 0.823 -1.825 1.00 . A A . 38 LEU HB3 1 1 7 4698 1 1 38 LEU HD11 H -15.801 1.342 -0.981 1.00 . A A . 38 LEU HD11 1 1 7 4699 1 1 38 LEU HD12 H -14.843 2.660 -0.309 1.00 . A A . 38 LEU HD12 1 1 7 4700 1 1 38 LEU HD13 H -15.960 1.767 0.723 1.00 . A A . 38 LEU HD13 1 1 7 4701 1 1 38 LEU HD21 H -15.553 -0.869 0.732 1.00 . A A . 38 LEU HD21 1 1 7 4702 1 1 38 LEU HD22 H -15.016 0.071 2.115 1.00 . A A . 38 LEU HD22 1 1 7 4703 1 1 38 LEU HD23 H -13.937 -1.115 1.386 1.00 . A A . 38 LEU HD23 1 1 7 4704 1 1 38 LEU HG H -13.358 1.237 0.747 1.00 . A A . 38 LEU HG 1 1 7 4705 1 1 38 LEU N N -13.979 -2.333 -0.785 1.00 . A A . 38 LEU N 1 1 7 4706 1 1 38 LEU O O -15.330 -0.929 -3.692 1.00 . A A . 38 LEU O 1 1 7 4707 1 1 39 PHE C C -14.425 -2.889 -5.443 1.00 . A A . 39 PHE C 1 1 7 4708 1 1 39 PHE CA C -13.281 -1.964 -5.014 1.00 . A A . 39 PHE CA 1 1 7 4709 1 1 39 PHE CB C -11.937 -2.559 -5.454 1.00 . A A . 39 PHE CB 1 1 7 4710 1 1 39 PHE CD1 C -11.028 -0.366 -6.336 1.00 . A A . 39 PHE CD1 1 1 7 4711 1 1 39 PHE CD2 C -9.726 -1.597 -4.698 1.00 . A A . 39 PHE CD2 1 1 7 4712 1 1 39 PHE CE1 C -10.035 0.621 -6.382 1.00 . A A . 39 PHE CE1 1 1 7 4713 1 1 39 PHE CE2 C -8.737 -0.607 -4.746 1.00 . A A . 39 PHE CE2 1 1 7 4714 1 1 39 PHE CG C -10.875 -1.478 -5.492 1.00 . A A . 39 PHE CG 1 1 7 4715 1 1 39 PHE CZ C -8.889 0.500 -5.589 1.00 . A A . 39 PHE CZ 1 1 7 4716 1 1 39 PHE H H -12.576 -2.078 -2.970 1.00 . A A . 39 PHE H 1 1 7 4717 1 1 39 PHE HA H -13.420 -1.004 -5.482 1.00 . A A . 39 PHE HA 1 1 7 4718 1 1 39 PHE HB2 H -11.641 -3.332 -4.759 1.00 . A A . 39 PHE HB2 1 1 7 4719 1 1 39 PHE HB3 H -12.040 -2.986 -6.439 1.00 . A A . 39 PHE HB3 1 1 7 4720 1 1 39 PHE HD1 H -11.911 -0.269 -6.949 1.00 . A A . 39 PHE HD1 1 1 7 4721 1 1 39 PHE HD2 H -9.605 -2.448 -4.048 1.00 . A A . 39 PHE HD2 1 1 7 4722 1 1 39 PHE HE1 H -10.154 1.477 -7.032 1.00 . A A . 39 PHE HE1 1 1 7 4723 1 1 39 PHE HE2 H -7.852 -0.700 -4.133 1.00 . A A . 39 PHE HE2 1 1 7 4724 1 1 39 PHE HZ H -8.124 1.261 -5.625 1.00 . A A . 39 PHE HZ 1 1 7 4725 1 1 39 PHE N N -13.330 -1.795 -3.533 1.00 . A A . 39 PHE N 1 1 7 4726 1 1 39 PHE O O -15.585 -2.583 -5.257 1.00 . A A . 39 PHE O 1 1 7 4727 1 1 40 THR C C -14.570 -6.367 -6.566 1.00 . A A . 40 THR C 1 1 7 4728 1 1 40 THR CA C -15.174 -4.964 -6.448 1.00 . A A . 40 THR CA 1 1 7 4729 1 1 40 THR CB C -15.714 -4.523 -7.816 1.00 . A A . 40 THR CB 1 1 7 4730 1 1 40 THR CG2 C -16.483 -3.206 -7.681 1.00 . A A . 40 THR CG2 1 1 7 4731 1 1 40 THR H H -13.166 -4.247 -6.146 1.00 . A A . 40 THR H 1 1 7 4732 1 1 40 THR HA H -15.975 -4.970 -5.725 1.00 . A A . 40 THR HA 1 1 7 4733 1 1 40 THR HB H -16.376 -5.284 -8.202 1.00 . A A . 40 THR HB 1 1 7 4734 1 1 40 THR HG1 H -14.825 -4.825 -9.522 1.00 . A A . 40 THR HG1 1 1 7 4735 1 1 40 THR HG21 H -17.154 -3.263 -6.836 1.00 . A A . 40 THR HG21 1 1 7 4736 1 1 40 THR HG22 H -17.055 -3.029 -8.581 1.00 . A A . 40 THR HG22 1 1 7 4737 1 1 40 THR HG23 H -15.787 -2.394 -7.536 1.00 . A A . 40 THR HG23 1 1 7 4738 1 1 40 THR N N -14.108 -4.018 -6.009 1.00 . A A . 40 THR N 1 1 7 4739 1 1 40 THR O O -13.461 -6.531 -7.032 1.00 . A A . 40 THR O 1 1 7 4740 1 1 40 THR OG1 O -14.626 -4.345 -8.715 1.00 . A A . 40 THR OG1 1 1 7 4741 1 1 41 GLY C C -13.291 -8.784 -5.762 1.00 . A A . 41 GLY C 1 1 7 4742 1 1 41 GLY CA C -14.743 -8.768 -6.241 1.00 . A A . 41 GLY CA 1 1 7 4743 1 1 41 GLY H H -16.181 -7.225 -5.774 1.00 . A A . 41 GLY H 1 1 7 4744 1 1 41 GLY HA2 H -15.336 -9.428 -5.624 1.00 . A A . 41 GLY HA2 1 1 7 4745 1 1 41 GLY HA3 H -14.784 -9.101 -7.267 1.00 . A A . 41 GLY HA3 1 1 7 4746 1 1 41 GLY N N -15.287 -7.378 -6.149 1.00 . A A . 41 GLY N 1 1 7 4747 1 1 41 GLY O O -12.378 -8.523 -6.519 1.00 . A A . 41 GLY O 1 1 7 4748 1 1 42 GLU C C -11.083 -7.685 -4.112 1.00 . A A . 42 GLU C 1 1 7 4749 1 1 42 GLU CA C -11.665 -9.101 -3.996 1.00 . A A . 42 GLU CA 1 1 7 4750 1 1 42 GLU CB C -10.836 -10.117 -4.814 1.00 . A A . 42 GLU CB 1 1 7 4751 1 1 42 GLU CD C -8.905 -10.470 -6.367 1.00 . A A . 42 GLU CD 1 1 7 4752 1 1 42 GLU CG C -9.697 -9.425 -5.577 1.00 . A A . 42 GLU CG 1 1 7 4753 1 1 42 GLU H H -13.812 -9.283 -3.911 1.00 . A A . 42 GLU H 1 1 7 4754 1 1 42 GLU HA H -11.675 -9.395 -2.955 1.00 . A A . 42 GLU HA 1 1 7 4755 1 1 42 GLU HB2 H -10.415 -10.855 -4.146 1.00 . A A . 42 GLU HB2 1 1 7 4756 1 1 42 GLU HB3 H -11.483 -10.613 -5.521 1.00 . A A . 42 GLU HB3 1 1 7 4757 1 1 42 GLU HG2 H -10.107 -8.696 -6.257 1.00 . A A . 42 GLU HG2 1 1 7 4758 1 1 42 GLU HG3 H -9.037 -8.935 -4.877 1.00 . A A . 42 GLU HG3 1 1 7 4759 1 1 42 GLU N N -13.064 -9.080 -4.510 1.00 . A A . 42 GLU N 1 1 7 4760 1 1 42 GLU O O -11.578 -6.869 -4.863 1.00 . A A . 42 GLU O 1 1 7 4761 1 1 42 GLU OE1 O -9.112 -11.649 -6.127 1.00 . A A . 42 GLU OE1 1 1 7 4762 1 1 42 GLU OE2 O -8.107 -10.075 -7.201 1.00 . A A . 42 GLU OE2 1 1 7 4763 1 1 43 CYS C C -9.052 -5.723 -4.901 1.00 . A A . 43 CYS C 1 1 7 4764 1 1 43 CYS CA C -9.471 -6.009 -3.456 1.00 . A A . 43 CYS CA 1 1 7 4765 1 1 43 CYS CB C -8.259 -5.890 -2.513 1.00 . A A . 43 CYS CB 1 1 7 4766 1 1 43 CYS H H -9.667 -8.043 -2.763 1.00 . A A . 43 CYS H 1 1 7 4767 1 1 43 CYS HXT H -7.469 -6.660 -4.978 1.00 . A A . 43 CYS HXT 1 1 7 4768 1 1 43 CYS HA H -10.225 -5.292 -3.159 1.00 . A A . 43 CYS HA 1 1 7 4769 1 1 43 CYS HB2 H -8.338 -4.975 -1.941 1.00 . A A . 43 CYS HB2 1 1 7 4770 1 1 43 CYS HB3 H -8.244 -6.731 -1.835 1.00 . A A . 43 CYS HB3 1 1 7 4771 1 1 43 CYS N N -10.051 -7.380 -3.373 1.00 . A A . 43 CYS N 1 1 7 4772 1 1 43 CYS O O -9.427 -4.678 -5.410 1.00 . A A . 43 CYS O 1 1 7 4773 1 1 43 CYS OXT O -8.365 -6.553 -5.474 1.00 . A A . 43 CYS OXT 1 1 7 4774 1 1 43 CYS SG S -6.712 -5.864 -3.457 1.00 . A A . 43 CYS SG 1 1 8 4775 1 1 1 CYS C C 3.300 -8.009 0.164 1.00 . A A . 1 CYS C 1 1 8 4776 1 1 1 CYS CA C 3.177 -8.882 -1.096 1.00 . A A . 1 CYS CA 1 1 8 4777 1 1 1 CYS CB C 2.736 -10.291 -0.686 1.00 . A A . 1 CYS CB 1 1 8 4778 1 1 1 CYS H1 H 4.792 -8.019 -2.077 1.00 . A A . 1 CYS H1 1 1 8 4779 1 1 1 CYS H2 H 5.193 -9.376 -1.168 1.00 . A A . 1 CYS H2 1 1 8 4780 1 1 1 CYS H3 H 4.395 -9.554 -2.638 1.00 . A A . 1 CYS H3 1 1 8 4781 1 1 1 CYS HA H 2.440 -8.454 -1.758 1.00 . A A . 1 CYS HA 1 1 8 4782 1 1 1 CYS HB2 H 3.574 -10.967 -0.753 1.00 . A A . 1 CYS HB2 1 1 8 4783 1 1 1 CYS HB3 H 2.372 -10.269 0.329 1.00 . A A . 1 CYS HB3 1 1 8 4784 1 1 1 CYS N N 4.490 -8.964 -1.799 1.00 . A A . 1 CYS N 1 1 8 4785 1 1 1 CYS O O 2.875 -8.395 1.235 1.00 . A A . 1 CYS O 1 1 8 4786 1 1 1 CYS SG S 1.410 -10.871 -1.762 1.00 . A A . 1 CYS SG 1 1 8 4787 1 1 2 GLY C C 2.588 -5.844 1.917 1.00 . A A . 2 GLY C 1 1 8 4788 1 1 2 GLY CA C 3.974 -5.982 1.275 1.00 . A A . 2 GLY CA 1 1 8 4789 1 1 2 GLY H H 4.199 -6.520 -0.804 1.00 . A A . 2 GLY H 1 1 8 4790 1 1 2 GLY HA2 H 4.655 -6.440 1.980 1.00 . A A . 2 GLY HA2 1 1 8 4791 1 1 2 GLY HA3 H 4.344 -5.008 1.002 1.00 . A A . 2 GLY HA3 1 1 8 4792 1 1 2 GLY N N 3.861 -6.837 0.061 1.00 . A A . 2 GLY N 1 1 8 4793 1 1 2 GLY O O 1.641 -5.412 1.291 1.00 . A A . 2 GLY O 1 1 8 4794 1 1 3 SER C C 1.129 -4.912 4.777 1.00 . A A . 3 SER C 1 1 8 4795 1 1 3 SER CA C 1.141 -6.136 3.854 1.00 . A A . 3 SER CA 1 1 8 4796 1 1 3 SER CB C 0.923 -7.407 4.674 1.00 . A A . 3 SER CB 1 1 8 4797 1 1 3 SER H H 3.240 -6.581 3.640 1.00 . A A . 3 SER H 1 1 8 4798 1 1 3 SER HA H 0.353 -6.042 3.121 1.00 . A A . 3 SER HA 1 1 8 4799 1 1 3 SER HB2 H 0.718 -8.231 4.011 1.00 . A A . 3 SER HB2 1 1 8 4800 1 1 3 SER HB3 H 1.816 -7.623 5.246 1.00 . A A . 3 SER HB3 1 1 8 4801 1 1 3 SER HG H -0.584 -8.082 5.700 1.00 . A A . 3 SER HG 1 1 8 4802 1 1 3 SER N N 2.463 -6.224 3.160 1.00 . A A . 3 SER N 1 1 8 4803 1 1 3 SER O O 1.976 -4.050 4.679 1.00 . A A . 3 SER O 1 1 8 4804 1 1 3 SER OG O -0.183 -7.223 5.547 1.00 . A A . 3 SER OG 1 1 8 4805 1 1 4 LYS C C 1.537 -3.270 7.012 1.00 . A A . 4 LYS C 1 1 8 4806 1 1 4 LYS CA C 0.121 -3.629 6.576 1.00 . A A . 4 LYS CA 1 1 8 4807 1 1 4 LYS CB C -0.718 -3.942 7.832 1.00 . A A . 4 LYS CB 1 1 8 4808 1 1 4 LYS CD C -1.578 -2.394 9.632 1.00 . A A . 4 LYS CD 1 1 8 4809 1 1 4 LYS CE C -1.936 -3.594 10.516 1.00 . A A . 4 LYS CE 1 1 8 4810 1 1 4 LYS CG C -1.682 -2.777 8.150 1.00 . A A . 4 LYS CG 1 1 8 4811 1 1 4 LYS H H -0.512 -5.518 5.732 1.00 . A A . 4 LYS H 1 1 8 4812 1 1 4 LYS HA H -0.306 -2.795 6.042 1.00 . A A . 4 LYS HA 1 1 8 4813 1 1 4 LYS HB2 H -1.288 -4.844 7.662 1.00 . A A . 4 LYS HB2 1 1 8 4814 1 1 4 LYS HB3 H -0.055 -4.097 8.671 1.00 . A A . 4 LYS HB3 1 1 8 4815 1 1 4 LYS HD2 H -0.569 -2.079 9.849 1.00 . A A . 4 LYS HD2 1 1 8 4816 1 1 4 LYS HD3 H -2.259 -1.582 9.840 1.00 . A A . 4 LYS HD3 1 1 8 4817 1 1 4 LYS HE2 H -2.762 -4.134 10.080 1.00 . A A . 4 LYS HE2 1 1 8 4818 1 1 4 LYS HE3 H -1.082 -4.246 10.601 1.00 . A A . 4 LYS HE3 1 1 8 4819 1 1 4 LYS HG2 H -1.434 -1.917 7.548 1.00 . A A . 4 LYS HG2 1 1 8 4820 1 1 4 LYS HG3 H -2.697 -3.080 7.936 1.00 . A A . 4 LYS HG3 1 1 8 4821 1 1 4 LYS HZ1 H -1.645 -2.376 12.180 1.00 . A A . 4 LYS HZ1 1 1 8 4822 1 1 4 LYS HZ2 H -2.299 -3.898 12.544 1.00 . A A . 4 LYS HZ2 1 1 8 4823 1 1 4 LYS HZ3 H -3.276 -2.702 11.837 1.00 . A A . 4 LYS HZ3 1 1 8 4824 1 1 4 LYS N N 0.171 -4.818 5.667 1.00 . A A . 4 LYS N 1 1 8 4825 1 1 4 LYS NZ N -2.318 -3.105 11.871 1.00 . A A . 4 LYS NZ 1 1 8 4826 1 1 4 LYS O O 2.208 -4.037 7.674 1.00 . A A . 4 LYS O 1 1 8 4827 1 1 5 ARG C C 4.358 -2.736 6.469 1.00 . A A . 5 ARG C 1 1 8 4828 1 1 5 ARG CA C 3.369 -1.719 7.047 1.00 . A A . 5 ARG CA 1 1 8 4829 1 1 5 ARG CB C 3.461 -1.716 8.581 1.00 . A A . 5 ARG CB 1 1 8 4830 1 1 5 ARG CD C 4.904 -0.834 10.415 1.00 . A A . 5 ARG CD 1 1 8 4831 1 1 5 ARG CG C 4.267 -0.504 9.064 1.00 . A A . 5 ARG CG 1 1 8 4832 1 1 5 ARG CZ C 3.926 -2.448 11.965 1.00 . A A . 5 ARG CZ 1 1 8 4833 1 1 5 ARG H H 1.449 -1.504 6.113 1.00 . A A . 5 ARG H 1 1 8 4834 1 1 5 ARG HA H 3.590 -0.736 6.661 1.00 . A A . 5 ARG HA 1 1 8 4835 1 1 5 ARG HB2 H 2.463 -1.667 8.994 1.00 . A A . 5 ARG HB2 1 1 8 4836 1 1 5 ARG HB3 H 3.939 -2.622 8.919 1.00 . A A . 5 ARG HB3 1 1 8 4837 1 1 5 ARG HD2 H 5.636 -1.616 10.279 1.00 . A A . 5 ARG HD2 1 1 8 4838 1 1 5 ARG HD3 H 5.389 0.048 10.805 1.00 . A A . 5 ARG HD3 1 1 8 4839 1 1 5 ARG HE H 3.077 -0.697 11.554 1.00 . A A . 5 ARG HE 1 1 8 4840 1 1 5 ARG HG2 H 5.042 -0.272 8.348 1.00 . A A . 5 ARG HG2 1 1 8 4841 1 1 5 ARG HG3 H 3.610 0.346 9.178 1.00 . A A . 5 ARG HG3 1 1 8 4842 1 1 5 ARG HH11 H 5.636 -2.978 11.064 1.00 . A A . 5 ARG HH11 1 1 8 4843 1 1 5 ARG HH12 H 4.986 -4.134 12.173 1.00 . A A . 5 ARG HH12 1 1 8 4844 1 1 5 ARG HH21 H 2.227 -2.216 12.998 1.00 . A A . 5 ARG HH21 1 1 8 4845 1 1 5 ARG HH22 H 3.066 -3.709 13.260 1.00 . A A . 5 ARG HH22 1 1 8 4846 1 1 5 ARG N N 2.000 -2.111 6.648 1.00 . A A . 5 ARG N 1 1 8 4847 1 1 5 ARG NE N 3.842 -1.282 11.368 1.00 . A A . 5 ARG NE 1 1 8 4848 1 1 5 ARG NH1 N 4.928 -3.248 11.714 1.00 . A A . 5 ARG NH1 1 1 8 4849 1 1 5 ARG NH2 N 3.002 -2.819 12.807 1.00 . A A . 5 ARG NH2 1 1 8 4850 1 1 5 ARG O O 4.726 -3.696 7.117 1.00 . A A . 5 ARG O 1 1 8 4851 1 1 6 ALA C C 6.161 -3.046 3.243 1.00 . A A . 6 ALA C 1 1 8 4852 1 1 6 ALA CA C 5.748 -3.508 4.646 1.00 . A A . 6 ALA CA 1 1 8 4853 1 1 6 ALA CB C 5.083 -4.883 4.550 1.00 . A A . 6 ALA CB 1 1 8 4854 1 1 6 ALA H H 4.473 -1.764 4.743 1.00 . A A . 6 ALA H 1 1 8 4855 1 1 6 ALA HA H 6.626 -3.582 5.270 1.00 . A A . 6 ALA HA 1 1 8 4856 1 1 6 ALA HB1 H 5.670 -5.525 3.912 1.00 . A A . 6 ALA HB1 1 1 8 4857 1 1 6 ALA HB2 H 4.092 -4.775 4.137 1.00 . A A . 6 ALA HB2 1 1 8 4858 1 1 6 ALA HB3 H 5.015 -5.321 5.536 1.00 . A A . 6 ALA HB3 1 1 8 4859 1 1 6 ALA N N 4.789 -2.538 5.253 1.00 . A A . 6 ALA N 1 1 8 4860 1 1 6 ALA O O 5.357 -2.588 2.455 1.00 . A A . 6 ALA O 1 1 8 4861 1 1 7 TRP C C 7.097 -3.219 0.459 1.00 . A A . 7 TRP C 1 1 8 4862 1 1 7 TRP CA C 7.969 -2.725 1.623 1.00 . A A . 7 TRP CA 1 1 8 4863 1 1 7 TRP CB C 9.390 -3.278 1.464 1.00 . A A . 7 TRP CB 1 1 8 4864 1 1 7 TRP CD1 C 10.067 -1.904 -0.543 1.00 . A A . 7 TRP CD1 1 1 8 4865 1 1 7 TRP CD2 C 10.123 -4.115 -0.949 1.00 . A A . 7 TRP CD2 1 1 8 4866 1 1 7 TRP CE2 C 10.513 -3.472 -2.147 1.00 . A A . 7 TRP CE2 1 1 8 4867 1 1 7 TRP CE3 C 10.077 -5.520 -0.934 1.00 . A A . 7 TRP CE3 1 1 8 4868 1 1 7 TRP CG C 9.842 -3.096 0.052 1.00 . A A . 7 TRP CG 1 1 8 4869 1 1 7 TRP CH2 C 10.792 -5.592 -3.261 1.00 . A A . 7 TRP CH2 1 1 8 4870 1 1 7 TRP CZ2 C 10.843 -4.196 -3.291 1.00 . A A . 7 TRP CZ2 1 1 8 4871 1 1 7 TRP CZ3 C 10.410 -6.254 -2.085 1.00 . A A . 7 TRP CZ3 1 1 8 4872 1 1 7 TRP H H 8.046 -3.523 3.617 1.00 . A A . 7 TRP H 1 1 8 4873 1 1 7 TRP HA H 8.013 -1.651 1.597 1.00 . A A . 7 TRP HA 1 1 8 4874 1 1 7 TRP HB2 H 10.059 -2.749 2.127 1.00 . A A . 7 TRP HB2 1 1 8 4875 1 1 7 TRP HB3 H 9.395 -4.330 1.711 1.00 . A A . 7 TRP HB3 1 1 8 4876 1 1 7 TRP HD1 H 9.953 -0.939 -0.076 1.00 . A A . 7 TRP HD1 1 1 8 4877 1 1 7 TRP HE1 H 10.685 -1.426 -2.498 1.00 . A A . 7 TRP HE1 1 1 8 4878 1 1 7 TRP HE3 H 9.785 -6.040 -0.033 1.00 . A A . 7 TRP HE3 1 1 8 4879 1 1 7 TRP HH2 H 11.046 -6.161 -4.143 1.00 . A A . 7 TRP HH2 1 1 8 4880 1 1 7 TRP HZ2 H 11.134 -3.681 -4.197 1.00 . A A . 7 TRP HZ2 1 1 8 4881 1 1 7 TRP HZ3 H 10.372 -7.333 -2.065 1.00 . A A . 7 TRP HZ3 1 1 8 4882 1 1 7 TRP N N 7.430 -3.158 2.947 1.00 . A A . 7 TRP N 1 1 8 4883 1 1 7 TRP NE1 N 10.462 -2.126 -1.849 1.00 . A A . 7 TRP NE1 1 1 8 4884 1 1 7 TRP O O 6.682 -4.360 0.417 1.00 . A A . 7 TRP O 1 1 8 4885 1 1 8 CYS C C 6.720 -2.259 -2.974 1.00 . A A . 8 CYS C 1 1 8 4886 1 1 8 CYS CA C 6.029 -2.756 -1.698 1.00 . A A . 8 CYS CA 1 1 8 4887 1 1 8 CYS CB C 4.644 -2.118 -1.633 1.00 . A A . 8 CYS CB 1 1 8 4888 1 1 8 CYS H H 7.213 -1.446 -0.444 1.00 . A A . 8 CYS H 1 1 8 4889 1 1 8 CYS HA H 5.919 -3.840 -1.730 1.00 . A A . 8 CYS HA 1 1 8 4890 1 1 8 CYS HB2 H 4.177 -2.167 -2.606 1.00 . A A . 8 CYS HB2 1 1 8 4891 1 1 8 CYS HB3 H 4.053 -2.663 -0.932 1.00 . A A . 8 CYS HB3 1 1 8 4892 1 1 8 CYS N N 6.845 -2.357 -0.502 1.00 . A A . 8 CYS N 1 1 8 4893 1 1 8 CYS O O 7.407 -1.258 -2.963 1.00 . A A . 8 CYS O 1 1 8 4894 1 1 8 CYS SG S 4.758 -0.389 -1.111 1.00 . A A . 8 CYS SG 1 1 8 4895 1 1 9 LYS C C 6.140 -1.549 -6.073 1.00 . A A . 9 LYS C 1 1 8 4896 1 1 9 LYS CA C 7.144 -2.451 -5.352 1.00 . A A . 9 LYS CA 1 1 8 4897 1 1 9 LYS CB C 7.461 -3.663 -6.239 1.00 . A A . 9 LYS CB 1 1 8 4898 1 1 9 LYS CD C 9.292 -4.970 -7.347 1.00 . A A . 9 LYS CD 1 1 8 4899 1 1 9 LYS CE C 9.073 -6.382 -6.791 1.00 . A A . 9 LYS CE 1 1 8 4900 1 1 9 LYS CG C 8.965 -3.924 -6.271 1.00 . A A . 9 LYS CG 1 1 8 4901 1 1 9 LYS H H 5.947 -3.715 -4.088 1.00 . A A . 9 LYS H 1 1 8 4902 1 1 9 LYS HA H 8.048 -1.899 -5.137 1.00 . A A . 9 LYS HA 1 1 8 4903 1 1 9 LYS HB2 H 6.956 -4.529 -5.849 1.00 . A A . 9 LYS HB2 1 1 8 4904 1 1 9 LYS HB3 H 7.115 -3.473 -7.235 1.00 . A A . 9 LYS HB3 1 1 8 4905 1 1 9 LYS HD2 H 8.652 -4.820 -8.205 1.00 . A A . 9 LYS HD2 1 1 8 4906 1 1 9 LYS HD3 H 10.324 -4.863 -7.647 1.00 . A A . 9 LYS HD3 1 1 8 4907 1 1 9 LYS HE2 H 9.859 -6.616 -6.088 1.00 . A A . 9 LYS HE2 1 1 8 4908 1 1 9 LYS HE3 H 8.116 -6.433 -6.292 1.00 . A A . 9 LYS HE3 1 1 8 4909 1 1 9 LYS HG2 H 9.485 -3.003 -6.497 1.00 . A A . 9 LYS HG2 1 1 8 4910 1 1 9 LYS HG3 H 9.281 -4.290 -5.310 1.00 . A A . 9 LYS HG3 1 1 8 4911 1 1 9 LYS HZ1 H 9.541 -8.250 -7.585 1.00 . A A . 9 LYS HZ1 1 1 8 4912 1 1 9 LYS HZ2 H 9.656 -6.978 -8.699 1.00 . A A . 9 LYS HZ2 1 1 8 4913 1 1 9 LYS HZ3 H 8.130 -7.558 -8.230 1.00 . A A . 9 LYS HZ3 1 1 8 4914 1 1 9 LYS N N 6.522 -2.922 -4.083 1.00 . A A . 9 LYS N 1 1 8 4915 1 1 9 LYS NZ N 9.102 -7.366 -7.910 1.00 . A A . 9 LYS NZ 1 1 8 4916 1 1 9 LYS O O 6.447 -0.449 -6.488 1.00 . A A . 9 LYS O 1 1 8 4917 1 1 10 GLU C C 2.576 -1.423 -6.044 1.00 . A A . 10 GLU C 1 1 8 4918 1 1 10 GLU CA C 3.855 -1.242 -6.866 1.00 . A A . 10 GLU CA 1 1 8 4919 1 1 10 GLU CB C 3.616 -1.770 -8.293 1.00 . A A . 10 GLU CB 1 1 8 4920 1 1 10 GLU CD C 5.639 -2.999 -9.174 1.00 . A A . 10 GLU CD 1 1 8 4921 1 1 10 GLU CG C 4.898 -1.655 -9.138 1.00 . A A . 10 GLU CG 1 1 8 4922 1 1 10 GLU H H 4.731 -2.902 -5.839 1.00 . A A . 10 GLU H 1 1 8 4923 1 1 10 GLU HA H 4.124 -0.196 -6.901 1.00 . A A . 10 GLU HA 1 1 8 4924 1 1 10 GLU HB2 H 3.307 -2.804 -8.241 1.00 . A A . 10 GLU HB2 1 1 8 4925 1 1 10 GLU HB3 H 2.832 -1.190 -8.754 1.00 . A A . 10 GLU HB3 1 1 8 4926 1 1 10 GLU HG2 H 4.637 -1.366 -10.147 1.00 . A A . 10 GLU HG2 1 1 8 4927 1 1 10 GLU HG3 H 5.546 -0.903 -8.709 1.00 . A A . 10 GLU HG3 1 1 8 4928 1 1 10 GLU N N 4.933 -2.023 -6.200 1.00 . A A . 10 GLU N 1 1 8 4929 1 1 10 GLU O O 2.566 -2.137 -5.061 1.00 . A A . 10 GLU O 1 1 8 4930 1 1 10 GLU OE1 O 5.225 -3.907 -8.471 1.00 . A A . 10 GLU OE1 1 1 8 4931 1 1 10 GLU OE2 O 6.607 -3.097 -9.911 1.00 . A A . 10 GLU OE2 1 1 8 4932 1 1 11 LYS C C -0.141 -2.454 -5.677 1.00 . A A . 11 LYS C 1 1 8 4933 1 1 11 LYS CA C 0.237 -0.976 -5.648 1.00 . A A . 11 LYS CA 1 1 8 4934 1 1 11 LYS CB C -0.887 -0.150 -6.274 1.00 . A A . 11 LYS CB 1 1 8 4935 1 1 11 LYS CD C -3.222 0.713 -5.943 1.00 . A A . 11 LYS CD 1 1 8 4936 1 1 11 LYS CE C -3.335 1.952 -5.049 1.00 . A A . 11 LYS CE 1 1 8 4937 1 1 11 LYS CG C -2.140 -0.232 -5.394 1.00 . A A . 11 LYS CG 1 1 8 4938 1 1 11 LYS H H 1.508 -0.235 -7.228 1.00 . A A . 11 LYS H 1 1 8 4939 1 1 11 LYS HA H 0.396 -0.663 -4.626 1.00 . A A . 11 LYS HA 1 1 8 4940 1 1 11 LYS HB2 H -0.574 0.879 -6.364 1.00 . A A . 11 LYS HB2 1 1 8 4941 1 1 11 LYS HB3 H -1.115 -0.543 -7.255 1.00 . A A . 11 LYS HB3 1 1 8 4942 1 1 11 LYS HD2 H -2.960 1.019 -6.946 1.00 . A A . 11 LYS HD2 1 1 8 4943 1 1 11 LYS HD3 H -4.173 0.200 -5.963 1.00 . A A . 11 LYS HD3 1 1 8 4944 1 1 11 LYS HE2 H -3.927 2.703 -5.550 1.00 . A A . 11 LYS HE2 1 1 8 4945 1 1 11 LYS HE3 H -3.810 1.680 -4.118 1.00 . A A . 11 LYS HE3 1 1 8 4946 1 1 11 LYS HG2 H -2.512 -1.248 -5.396 1.00 . A A . 11 LYS HG2 1 1 8 4947 1 1 11 LYS HG3 H -1.888 0.055 -4.384 1.00 . A A . 11 LYS HG3 1 1 8 4948 1 1 11 LYS HZ1 H -1.682 3.112 -5.554 1.00 . A A . 11 LYS HZ1 1 1 8 4949 1 1 11 LYS HZ2 H -1.299 1.707 -4.685 1.00 . A A . 11 LYS HZ2 1 1 8 4950 1 1 11 LYS HZ3 H -1.992 3.037 -3.886 1.00 . A A . 11 LYS HZ3 1 1 8 4951 1 1 11 LYS N N 1.496 -0.802 -6.429 1.00 . A A . 11 LYS N 1 1 8 4952 1 1 11 LYS NZ N -1.974 2.492 -4.772 1.00 . A A . 11 LYS NZ 1 1 8 4953 1 1 11 LYS O O -0.514 -3.038 -4.679 1.00 . A A . 11 LYS O 1 1 8 4954 1 1 12 LYS C C 0.631 -5.329 -6.144 1.00 . A A . 12 LYS C 1 1 8 4955 1 1 12 LYS CA C -0.368 -4.492 -6.956 1.00 . A A . 12 LYS CA 1 1 8 4956 1 1 12 LYS CB C -0.316 -4.842 -8.452 1.00 . A A . 12 LYS CB 1 1 8 4957 1 1 12 LYS CD C 1.380 -5.128 -10.300 1.00 . A A . 12 LYS CD 1 1 8 4958 1 1 12 LYS CE C 0.406 -5.825 -11.253 1.00 . A A . 12 LYS CE 1 1 8 4959 1 1 12 LYS CG C 1.044 -5.456 -8.840 1.00 . A A . 12 LYS CG 1 1 8 4960 1 1 12 LYS H H 0.270 -2.570 -7.612 1.00 . A A . 12 LYS H 1 1 8 4961 1 1 12 LYS HA H -1.366 -4.664 -6.580 1.00 . A A . 12 LYS HA 1 1 8 4962 1 1 12 LYS HB2 H -1.100 -5.541 -8.670 1.00 . A A . 12 LYS HB2 1 1 8 4963 1 1 12 LYS HB3 H -0.478 -3.941 -9.026 1.00 . A A . 12 LYS HB3 1 1 8 4964 1 1 12 LYS HD2 H 1.324 -4.060 -10.450 1.00 . A A . 12 LYS HD2 1 1 8 4965 1 1 12 LYS HD3 H 2.385 -5.461 -10.515 1.00 . A A . 12 LYS HD3 1 1 8 4966 1 1 12 LYS HE2 H 0.705 -6.853 -11.386 1.00 . A A . 12 LYS HE2 1 1 8 4967 1 1 12 LYS HE3 H -0.593 -5.788 -10.848 1.00 . A A . 12 LYS HE3 1 1 8 4968 1 1 12 LYS HG2 H 1.819 -5.049 -8.205 1.00 . A A . 12 LYS HG2 1 1 8 4969 1 1 12 LYS HG3 H 1.004 -6.527 -8.715 1.00 . A A . 12 LYS HG3 1 1 8 4970 1 1 12 LYS HZ1 H -0.537 -4.884 -12.857 1.00 . A A . 12 LYS HZ1 1 1 8 4971 1 1 12 LYS HZ2 H 0.856 -5.749 -13.287 1.00 . A A . 12 LYS HZ2 1 1 8 4972 1 1 12 LYS HZ3 H 0.997 -4.257 -12.490 1.00 . A A . 12 LYS HZ3 1 1 8 4973 1 1 12 LYS N N -0.035 -3.060 -6.824 1.00 . A A . 12 LYS N 1 1 8 4974 1 1 12 LYS NZ N 0.432 -5.127 -12.572 1.00 . A A . 12 LYS NZ 1 1 8 4975 1 1 12 LYS O O 0.353 -6.449 -5.763 1.00 . A A . 12 LYS O 1 1 8 4976 1 1 13 ASP C C 2.369 -5.757 -3.666 1.00 . A A . 13 ASP C 1 1 8 4977 1 1 13 ASP CA C 2.821 -5.560 -5.114 1.00 . A A . 13 ASP CA 1 1 8 4978 1 1 13 ASP CB C 4.157 -4.824 -5.132 1.00 . A A . 13 ASP CB 1 1 8 4979 1 1 13 ASP CG C 5.241 -5.740 -4.561 1.00 . A A . 13 ASP CG 1 1 8 4980 1 1 13 ASP H H 2.005 -3.892 -6.210 1.00 . A A . 13 ASP H 1 1 8 4981 1 1 13 ASP HA H 2.951 -6.529 -5.572 1.00 . A A . 13 ASP HA 1 1 8 4982 1 1 13 ASP HB2 H 4.406 -4.564 -6.149 1.00 . A A . 13 ASP HB2 1 1 8 4983 1 1 13 ASP HB3 H 4.087 -3.930 -4.528 1.00 . A A . 13 ASP HB3 1 1 8 4984 1 1 13 ASP N N 1.799 -4.796 -5.886 1.00 . A A . 13 ASP N 1 1 8 4985 1 1 13 ASP O O 2.905 -6.585 -2.958 1.00 . A A . 13 ASP O 1 1 8 4986 1 1 13 ASP OD1 O 5.443 -6.804 -5.122 1.00 . A A . 13 ASP OD1 1 1 8 4987 1 1 13 ASP OD2 O 5.856 -5.359 -3.578 1.00 . A A . 13 ASP OD2 1 1 8 4988 1 1 14 CYS C C -0.063 -6.322 -1.783 1.00 . A A . 14 CYS C 1 1 8 4989 1 1 14 CYS CA C 0.947 -5.186 -1.818 1.00 . A A . 14 CYS CA 1 1 8 4990 1 1 14 CYS CB C 0.284 -3.892 -1.364 1.00 . A A . 14 CYS CB 1 1 8 4991 1 1 14 CYS H H 0.966 -4.347 -3.770 1.00 . A A . 14 CYS H 1 1 8 4992 1 1 14 CYS HA H 1.786 -5.425 -1.175 1.00 . A A . 14 CYS HA 1 1 8 4993 1 1 14 CYS HB2 H -0.431 -3.584 -2.112 1.00 . A A . 14 CYS HB2 1 1 8 4994 1 1 14 CYS HB3 H -0.220 -4.061 -0.447 1.00 . A A . 14 CYS HB3 1 1 8 4995 1 1 14 CYS N N 1.397 -5.016 -3.209 1.00 . A A . 14 CYS N 1 1 8 4996 1 1 14 CYS O O -1.016 -6.355 -2.537 1.00 . A A . 14 CYS O 1 1 8 4997 1 1 14 CYS SG S 1.522 -2.587 -1.155 1.00 . A A . 14 CYS SG 1 1 8 4998 1 1 15 CYS C C -2.183 -7.984 -0.567 1.00 . A A . 15 CYS C 1 1 8 4999 1 1 15 CYS CA C -0.759 -8.436 -0.854 1.00 . A A . 15 CYS CA 1 1 8 5000 1 1 15 CYS CB C -0.306 -9.408 0.240 1.00 . A A . 15 CYS CB 1 1 8 5001 1 1 15 CYS H H 0.960 -7.219 -0.348 1.00 . A A . 15 CYS H 1 1 8 5002 1 1 15 CYS HA H -0.746 -8.950 -1.804 1.00 . A A . 15 CYS HA 1 1 8 5003 1 1 15 CYS HB2 H 0.640 -9.080 0.640 1.00 . A A . 15 CYS HB2 1 1 8 5004 1 1 15 CYS HB3 H -1.039 -9.435 1.035 1.00 . A A . 15 CYS HB3 1 1 8 5005 1 1 15 CYS N N 0.164 -7.270 -0.927 1.00 . A A . 15 CYS N 1 1 8 5006 1 1 15 CYS O O -2.514 -6.815 -0.651 1.00 . A A . 15 CYS O 1 1 8 5007 1 1 15 CYS SG S -0.134 -11.065 -0.476 1.00 . A A . 15 CYS SG 1 1 8 5008 1 1 16 CYS C C -4.892 -7.303 -0.469 1.00 . A A . 16 CYS C 1 1 8 5009 1 1 16 CYS CA C -4.440 -8.636 0.105 1.00 . A A . 16 CYS CA 1 1 8 5010 1 1 16 CYS CB C -4.616 -8.628 1.619 1.00 . A A . 16 CYS CB 1 1 8 5011 1 1 16 CYS H H -2.684 -9.846 -0.148 1.00 . A A . 16 CYS H 1 1 8 5012 1 1 16 CYS HA H -5.068 -9.399 -0.300 1.00 . A A . 16 CYS HA 1 1 8 5013 1 1 16 CYS HB2 H -4.117 -9.487 2.042 1.00 . A A . 16 CYS HB2 1 1 8 5014 1 1 16 CYS HB3 H -4.186 -7.732 2.018 1.00 . A A . 16 CYS HB3 1 1 8 5015 1 1 16 CYS N N -3.014 -8.927 -0.216 1.00 . A A . 16 CYS N 1 1 8 5016 1 1 16 CYS O O -4.581 -6.935 -1.586 1.00 . A A . 16 CYS O 1 1 8 5017 1 1 16 CYS SG S -6.377 -8.694 2.029 1.00 . A A . 16 CYS SG 1 1 8 5018 1 1 17 GLY C C -5.346 -4.167 0.408 1.00 . A A . 17 GLY C 1 1 8 5019 1 1 17 GLY CA C -6.200 -5.293 -0.137 1.00 . A A . 17 GLY CA 1 1 8 5020 1 1 17 GLY H H -5.877 -6.958 1.169 1.00 . A A . 17 GLY H 1 1 8 5021 1 1 17 GLY HA2 H -6.200 -5.249 -1.212 1.00 . A A . 17 GLY HA2 1 1 8 5022 1 1 17 GLY HA3 H -7.201 -5.187 0.233 1.00 . A A . 17 GLY HA3 1 1 8 5023 1 1 17 GLY N N -5.652 -6.603 0.298 1.00 . A A . 17 GLY N 1 1 8 5024 1 1 17 GLY O O -5.826 -3.098 0.725 1.00 . A A . 17 GLY O 1 1 8 5025 1 1 18 TYR C C -2.653 -2.494 -0.107 1.00 . A A . 18 TYR C 1 1 8 5026 1 1 18 TYR CA C -3.175 -3.357 1.050 1.00 . A A . 18 TYR CA 1 1 8 5027 1 1 18 TYR CB C -2.007 -4.040 1.744 1.00 . A A . 18 TYR CB 1 1 8 5028 1 1 18 TYR CD1 C -2.865 -4.028 4.119 1.00 . A A . 18 TYR CD1 1 1 8 5029 1 1 18 TYR CD2 C -2.552 -6.143 2.984 1.00 . A A . 18 TYR CD2 1 1 8 5030 1 1 18 TYR CE1 C -3.286 -4.708 5.269 1.00 . A A . 18 TYR CE1 1 1 8 5031 1 1 18 TYR CE2 C -2.977 -6.824 4.129 1.00 . A A . 18 TYR CE2 1 1 8 5032 1 1 18 TYR CG C -2.495 -4.751 2.980 1.00 . A A . 18 TYR CG 1 1 8 5033 1 1 18 TYR CZ C -3.341 -6.106 5.274 1.00 . A A . 18 TYR CZ 1 1 8 5034 1 1 18 TYR H H -3.708 -5.322 0.243 1.00 . A A . 18 TYR H 1 1 8 5035 1 1 18 TYR HA H -3.702 -2.736 1.758 1.00 . A A . 18 TYR HA 1 1 8 5036 1 1 18 TYR HB2 H -1.568 -4.760 1.072 1.00 . A A . 18 TYR HB2 1 1 8 5037 1 1 18 TYR HB3 H -1.267 -3.311 2.017 1.00 . A A . 18 TYR HB3 1 1 8 5038 1 1 18 TYR HD1 H -2.825 -2.951 4.109 1.00 . A A . 18 TYR HD1 1 1 8 5039 1 1 18 TYR HD2 H -2.286 -6.690 2.091 1.00 . A A . 18 TYR HD2 1 1 8 5040 1 1 18 TYR HE1 H -3.575 -4.153 6.150 1.00 . A A . 18 TYR HE1 1 1 8 5041 1 1 18 TYR HE2 H -3.016 -7.903 4.132 1.00 . A A . 18 TYR HE2 1 1 8 5042 1 1 18 TYR HH H -3.481 -7.695 6.323 1.00 . A A . 18 TYR HH 1 1 8 5043 1 1 18 TYR N N -4.085 -4.405 0.521 1.00 . A A . 18 TYR N 1 1 8 5044 1 1 18 TYR O O -2.402 -2.980 -1.191 1.00 . A A . 18 TYR O 1 1 8 5045 1 1 18 TYR OH O -3.753 -6.777 6.407 1.00 . A A . 18 TYR OH 1 1 8 5046 1 1 19 ASN C C -0.526 0.030 -0.753 1.00 . A A . 19 ASN C 1 1 8 5047 1 1 19 ASN CA C -2.014 -0.295 -0.961 1.00 . A A . 19 ASN CA 1 1 8 5048 1 1 19 ASN CB C -2.812 1.016 -0.900 1.00 . A A . 19 ASN CB 1 1 8 5049 1 1 19 ASN CG C -1.927 2.193 -1.324 1.00 . A A . 19 ASN CG 1 1 8 5050 1 1 19 ASN H H -2.727 -0.842 1.000 1.00 . A A . 19 ASN H 1 1 8 5051 1 1 19 ASN HA H -2.157 -0.760 -1.926 1.00 . A A . 19 ASN HA 1 1 8 5052 1 1 19 ASN HB2 H -3.663 0.950 -1.564 1.00 . A A . 19 ASN HB2 1 1 8 5053 1 1 19 ASN HB3 H -3.159 1.175 0.110 1.00 . A A . 19 ASN HB3 1 1 8 5054 1 1 19 ASN HD21 H -1.978 3.059 0.464 1.00 . A A . 19 ASN HD21 1 1 8 5055 1 1 19 ASN HD22 H -1.069 3.879 -0.711 1.00 . A A . 19 ASN HD22 1 1 8 5056 1 1 19 ASN N N -2.505 -1.210 0.117 1.00 . A A . 19 ASN N 1 1 8 5057 1 1 19 ASN ND2 N -1.635 3.121 -0.451 1.00 . A A . 19 ASN ND2 1 1 8 5058 1 1 19 ASN O O -0.027 -0.061 0.341 1.00 . A A . 19 ASN O 1 1 8 5059 1 1 19 ASN OD1 O -1.489 2.265 -2.454 1.00 . A A . 19 ASN OD1 1 1 8 5060 1 1 20 CYS C C 1.800 2.166 -1.378 1.00 . A A . 20 CYS C 1 1 8 5061 1 1 20 CYS CA C 1.638 0.663 -1.637 1.00 . A A . 20 CYS CA 1 1 8 5062 1 1 20 CYS CB C 2.390 0.281 -2.914 1.00 . A A . 20 CYS CB 1 1 8 5063 1 1 20 CYS H H -0.237 0.406 -2.678 1.00 . A A . 20 CYS H 1 1 8 5064 1 1 20 CYS HA H 2.042 0.109 -0.805 1.00 . A A . 20 CYS HA 1 1 8 5065 1 1 20 CYS HB2 H 2.271 -0.775 -3.099 1.00 . A A . 20 CYS HB2 1 1 8 5066 1 1 20 CYS HB3 H 1.986 0.839 -3.746 1.00 . A A . 20 CYS HB3 1 1 8 5067 1 1 20 CYS N N 0.185 0.346 -1.794 1.00 . A A . 20 CYS N 1 1 8 5068 1 1 20 CYS O O 1.129 2.981 -1.978 1.00 . A A . 20 CYS O 1 1 8 5069 1 1 20 CYS SG S 4.153 0.665 -2.730 1.00 . A A . 20 CYS SG 1 1 8 5070 1 1 21 VAL C C 4.386 4.306 -0.259 1.00 . A A . 21 VAL C 1 1 8 5071 1 1 21 VAL CA C 2.888 3.983 -0.167 1.00 . A A . 21 VAL CA 1 1 8 5072 1 1 21 VAL CB C 2.355 4.267 1.252 1.00 . A A . 21 VAL CB 1 1 8 5073 1 1 21 VAL CG1 C 3.515 4.485 2.233 1.00 . A A . 21 VAL CG1 1 1 8 5074 1 1 21 VAL CG2 C 1.468 5.517 1.229 1.00 . A A . 21 VAL CG2 1 1 8 5075 1 1 21 VAL H H 3.203 1.855 -0.060 1.00 . A A . 21 VAL H 1 1 8 5076 1 1 21 VAL HA H 2.350 4.588 -0.884 1.00 . A A . 21 VAL HA 1 1 8 5077 1 1 21 VAL HB H 1.769 3.422 1.582 1.00 . A A . 21 VAL HB 1 1 8 5078 1 1 21 VAL HG11 H 4.189 3.639 2.189 1.00 . A A . 21 VAL HG11 1 1 8 5079 1 1 21 VAL HG12 H 3.125 4.577 3.234 1.00 . A A . 21 VAL HG12 1 1 8 5080 1 1 21 VAL HG13 H 4.049 5.387 1.971 1.00 . A A . 21 VAL HG13 1 1 8 5081 1 1 21 VAL HG21 H 1.193 5.782 2.239 1.00 . A A . 21 VAL HG21 1 1 8 5082 1 1 21 VAL HG22 H 0.576 5.313 0.656 1.00 . A A . 21 VAL HG22 1 1 8 5083 1 1 21 VAL HG23 H 2.008 6.335 0.776 1.00 . A A . 21 VAL HG23 1 1 8 5084 1 1 21 VAL N N 2.680 2.534 -0.481 1.00 . A A . 21 VAL N 1 1 8 5085 1 1 21 VAL O O 5.213 3.421 -0.266 1.00 . A A . 21 VAL O 1 1 8 5086 1 1 22 TYR C C 6.635 6.700 0.820 1.00 . A A . 22 TYR C 1 1 8 5087 1 1 22 TYR CA C 6.186 5.946 -0.437 1.00 . A A . 22 TYR CA 1 1 8 5088 1 1 22 TYR CB C 6.392 6.840 -1.658 1.00 . A A . 22 TYR CB 1 1 8 5089 1 1 22 TYR CD1 C 8.806 6.252 -2.071 1.00 . A A . 22 TYR CD1 1 1 8 5090 1 1 22 TYR CD2 C 8.245 8.547 -1.526 1.00 . A A . 22 TYR CD2 1 1 8 5091 1 1 22 TYR CE1 C 10.157 6.604 -2.162 1.00 . A A . 22 TYR CE1 1 1 8 5092 1 1 22 TYR CE2 C 9.597 8.899 -1.616 1.00 . A A . 22 TYR CE2 1 1 8 5093 1 1 22 TYR CG C 7.850 7.224 -1.753 1.00 . A A . 22 TYR CG 1 1 8 5094 1 1 22 TYR CZ C 10.553 7.927 -1.935 1.00 . A A . 22 TYR CZ 1 1 8 5095 1 1 22 TYR H H 4.016 6.303 -0.326 1.00 . A A . 22 TYR H 1 1 8 5096 1 1 22 TYR HA H 6.784 5.057 -0.547 1.00 . A A . 22 TYR HA 1 1 8 5097 1 1 22 TYR HB2 H 6.099 6.304 -2.550 1.00 . A A . 22 TYR HB2 1 1 8 5098 1 1 22 TYR HB3 H 5.790 7.731 -1.560 1.00 . A A . 22 TYR HB3 1 1 8 5099 1 1 22 TYR HD1 H 8.501 5.231 -2.245 1.00 . A A . 22 TYR HD1 1 1 8 5100 1 1 22 TYR HD2 H 7.509 9.299 -1.279 1.00 . A A . 22 TYR HD2 1 1 8 5101 1 1 22 TYR HE1 H 10.896 5.855 -2.407 1.00 . A A . 22 TYR HE1 1 1 8 5102 1 1 22 TYR HE2 H 9.903 9.920 -1.441 1.00 . A A . 22 TYR HE2 1 1 8 5103 1 1 22 TYR HH H 12.191 8.510 -1.149 1.00 . A A . 22 TYR HH 1 1 8 5104 1 1 22 TYR N N 4.738 5.568 -0.335 1.00 . A A . 22 TYR N 1 1 8 5105 1 1 22 TYR O O 5.984 7.623 1.269 1.00 . A A . 22 TYR O 1 1 8 5106 1 1 22 TYR OH O 11.884 8.273 -2.027 1.00 . A A . 22 TYR OH 1 1 8 5107 1 1 23 ALA C C 9.526 7.809 2.266 1.00 . A A . 23 ALA C 1 1 8 5108 1 1 23 ALA CA C 8.271 6.998 2.609 1.00 . A A . 23 ALA CA 1 1 8 5109 1 1 23 ALA CB C 8.626 5.958 3.672 1.00 . A A . 23 ALA CB 1 1 8 5110 1 1 23 ALA H H 8.261 5.566 0.996 1.00 . A A . 23 ALA H 1 1 8 5111 1 1 23 ALA HA H 7.516 7.665 3.001 1.00 . A A . 23 ALA HA 1 1 8 5112 1 1 23 ALA HB1 H 9.170 6.437 4.475 1.00 . A A . 23 ALA HB1 1 1 8 5113 1 1 23 ALA HB2 H 9.242 5.187 3.232 1.00 . A A . 23 ALA HB2 1 1 8 5114 1 1 23 ALA HB3 H 7.721 5.518 4.063 1.00 . A A . 23 ALA HB3 1 1 8 5115 1 1 23 ALA N N 7.755 6.311 1.385 1.00 . A A . 23 ALA N 1 1 8 5116 1 1 23 ALA O O 10.436 7.327 1.623 1.00 . A A . 23 ALA O 1 1 8 5117 1 1 24 TRP C C 12.059 9.253 2.957 1.00 . A A . 24 TRP C 1 1 8 5118 1 1 24 TRP CA C 10.764 9.900 2.438 1.00 . A A . 24 TRP CA 1 1 8 5119 1 1 24 TRP CB C 10.552 11.253 3.130 1.00 . A A . 24 TRP CB 1 1 8 5120 1 1 24 TRP CD1 C 12.364 11.516 4.855 1.00 . A A . 24 TRP CD1 1 1 8 5121 1 1 24 TRP CD2 C 12.835 12.627 2.956 1.00 . A A . 24 TRP CD2 1 1 8 5122 1 1 24 TRP CE2 C 13.920 12.850 3.838 1.00 . A A . 24 TRP CE2 1 1 8 5123 1 1 24 TRP CE3 C 12.883 13.221 1.683 1.00 . A A . 24 TRP CE3 1 1 8 5124 1 1 24 TRP CG C 11.860 11.778 3.630 1.00 . A A . 24 TRP CG 1 1 8 5125 1 1 24 TRP CH2 C 15.046 14.216 2.200 1.00 . A A . 24 TRP CH2 1 1 8 5126 1 1 24 TRP CZ2 C 15.015 13.633 3.470 1.00 . A A . 24 TRP CZ2 1 1 8 5127 1 1 24 TRP CZ3 C 13.984 14.010 1.308 1.00 . A A . 24 TRP CZ3 1 1 8 5128 1 1 24 TRP H H 8.829 9.392 3.231 1.00 . A A . 24 TRP H 1 1 8 5129 1 1 24 TRP HA H 10.852 10.058 1.373 1.00 . A A . 24 TRP HA 1 1 8 5130 1 1 24 TRP HB2 H 10.129 11.956 2.425 1.00 . A A . 24 TRP HB2 1 1 8 5131 1 1 24 TRP HB3 H 9.874 11.128 3.961 1.00 . A A . 24 TRP HB3 1 1 8 5132 1 1 24 TRP HD1 H 11.888 10.906 5.611 1.00 . A A . 24 TRP HD1 1 1 8 5133 1 1 24 TRP HE1 H 14.159 12.122 5.777 1.00 . A A . 24 TRP HE1 1 1 8 5134 1 1 24 TRP HE3 H 12.070 13.070 0.989 1.00 . A A . 24 TRP HE3 1 1 8 5135 1 1 24 TRP HH2 H 15.890 14.823 1.905 1.00 . A A . 24 TRP HH2 1 1 8 5136 1 1 24 TRP HZ2 H 15.829 13.788 4.160 1.00 . A A . 24 TRP HZ2 1 1 8 5137 1 1 24 TRP HZ3 H 14.012 14.461 0.327 1.00 . A A . 24 TRP HZ3 1 1 8 5138 1 1 24 TRP N N 9.576 9.035 2.708 1.00 . A A . 24 TRP N 1 1 8 5139 1 1 24 TRP NE1 N 13.586 12.151 4.983 1.00 . A A . 24 TRP NE1 1 1 8 5140 1 1 24 TRP O O 13.068 9.245 2.279 1.00 . A A . 24 TRP O 1 1 8 5141 1 1 25 TYR C C 13.604 6.802 4.023 1.00 . A A . 25 TYR C 1 1 8 5142 1 1 25 TYR CA C 13.314 8.144 4.705 1.00 . A A . 25 TYR CA 1 1 8 5143 1 1 25 TYR CB C 13.175 7.946 6.223 1.00 . A A . 25 TYR CB 1 1 8 5144 1 1 25 TYR CD1 C 15.611 7.830 6.895 1.00 . A A . 25 TYR CD1 1 1 8 5145 1 1 25 TYR CD2 C 14.291 9.735 7.614 1.00 . A A . 25 TYR CD2 1 1 8 5146 1 1 25 TYR CE1 C 16.731 8.363 7.548 1.00 . A A . 25 TYR CE1 1 1 8 5147 1 1 25 TYR CE2 C 15.411 10.265 8.266 1.00 . A A . 25 TYR CE2 1 1 8 5148 1 1 25 TYR CG C 14.390 8.518 6.928 1.00 . A A . 25 TYR CG 1 1 8 5149 1 1 25 TYR CZ C 16.632 9.579 8.233 1.00 . A A . 25 TYR CZ 1 1 8 5150 1 1 25 TYR H H 11.199 8.757 4.726 1.00 . A A . 25 TYR H 1 1 8 5151 1 1 25 TYR HA H 14.135 8.819 4.507 1.00 . A A . 25 TYR HA 1 1 8 5152 1 1 25 TYR HB2 H 12.289 8.456 6.570 1.00 . A A . 25 TYR HB2 1 1 8 5153 1 1 25 TYR HB3 H 13.094 6.893 6.447 1.00 . A A . 25 TYR HB3 1 1 8 5154 1 1 25 TYR HD1 H 15.687 6.893 6.366 1.00 . A A . 25 TYR HD1 1 1 8 5155 1 1 25 TYR HD2 H 13.351 10.265 7.640 1.00 . A A . 25 TYR HD2 1 1 8 5156 1 1 25 TYR HE1 H 17.673 7.832 7.521 1.00 . A A . 25 TYR HE1 1 1 8 5157 1 1 25 TYR HE2 H 15.335 11.203 8.794 1.00 . A A . 25 TYR HE2 1 1 8 5158 1 1 25 TYR HH H 17.912 10.972 8.509 1.00 . A A . 25 TYR HH 1 1 8 5159 1 1 25 TYR N N 12.059 8.744 4.158 1.00 . A A . 25 TYR N 1 1 8 5160 1 1 25 TYR O O 12.713 6.020 3.759 1.00 . A A . 25 TYR O 1 1 8 5161 1 1 25 TYR OH O 17.735 10.102 8.876 1.00 . A A . 25 TYR OH 1 1 8 5162 1 1 26 ASN C C 14.496 5.101 1.761 1.00 . A A . 26 ASN C 1 1 8 5163 1 1 26 ASN CA C 15.244 5.261 3.077 1.00 . A A . 26 ASN CA 1 1 8 5164 1 1 26 ASN CB C 14.914 4.081 3.992 1.00 . A A . 26 ASN CB 1 1 8 5165 1 1 26 ASN CG C 15.958 3.997 5.098 1.00 . A A . 26 ASN CG 1 1 8 5166 1 1 26 ASN H H 15.546 7.198 3.966 1.00 . A A . 26 ASN H 1 1 8 5167 1 1 26 ASN HA H 16.305 5.272 2.881 1.00 . A A . 26 ASN HA 1 1 8 5168 1 1 26 ASN HB2 H 13.936 4.220 4.428 1.00 . A A . 26 ASN HB2 1 1 8 5169 1 1 26 ASN HB3 H 14.926 3.162 3.421 1.00 . A A . 26 ASN HB3 1 1 8 5170 1 1 26 ASN HD21 H 17.346 3.235 3.903 1.00 . A A . 26 ASN HD21 1 1 8 5171 1 1 26 ASN HD22 H 17.816 3.462 5.515 1.00 . A A . 26 ASN HD22 1 1 8 5172 1 1 26 ASN N N 14.855 6.542 3.740 1.00 . A A . 26 ASN N 1 1 8 5173 1 1 26 ASN ND2 N 17.140 3.527 4.816 1.00 . A A . 26 ASN ND2 1 1 8 5174 1 1 26 ASN O O 14.308 4.000 1.284 1.00 . A A . 26 ASN O 1 1 8 5175 1 1 26 ASN OD1 O 15.700 4.362 6.227 1.00 . A A . 26 ASN OD1 1 1 8 5176 1 1 27 GLN C C 12.746 4.714 -0.300 1.00 . A A . 27 GLN C 1 1 8 5177 1 1 27 GLN CA C 13.360 6.111 -0.140 1.00 . A A . 27 GLN CA 1 1 8 5178 1 1 27 GLN CB C 14.354 6.357 -1.276 1.00 . A A . 27 GLN CB 1 1 8 5179 1 1 27 GLN CD C 14.298 8.858 -1.132 1.00 . A A . 27 GLN CD 1 1 8 5180 1 1 27 GLN CG C 15.179 7.616 -0.980 1.00 . A A . 27 GLN CG 1 1 8 5181 1 1 27 GLN H H 14.270 7.063 1.567 1.00 . A A . 27 GLN H 1 1 8 5182 1 1 27 GLN HA H 12.583 6.859 -0.166 1.00 . A A . 27 GLN HA 1 1 8 5183 1 1 27 GLN HB2 H 15.013 5.506 -1.365 1.00 . A A . 27 GLN HB2 1 1 8 5184 1 1 27 GLN HB3 H 13.813 6.493 -2.200 1.00 . A A . 27 GLN HB3 1 1 8 5185 1 1 27 GLN HE21 H 14.228 9.226 0.819 1.00 . A A . 27 GLN HE21 1 1 8 5186 1 1 27 GLN HE22 H 13.369 10.319 -0.157 1.00 . A A . 27 GLN HE22 1 1 8 5187 1 1 27 GLN HG2 H 15.563 7.567 0.029 1.00 . A A . 27 GLN HG2 1 1 8 5188 1 1 27 GLN HG3 H 16.003 7.676 -1.675 1.00 . A A . 27 GLN HG3 1 1 8 5189 1 1 27 GLN N N 14.088 6.190 1.164 1.00 . A A . 27 GLN N 1 1 8 5190 1 1 27 GLN NE2 N 13.935 9.523 -0.068 1.00 . A A . 27 GLN NE2 1 1 8 5191 1 1 27 GLN O O 12.927 4.063 -1.310 1.00 . A A . 27 GLN O 1 1 8 5192 1 1 27 GLN OE1 O 13.936 9.226 -2.230 1.00 . A A . 27 GLN OE1 1 1 8 5193 1 1 28 GLN C C 9.923 2.948 0.662 1.00 . A A . 28 GLN C 1 1 8 5194 1 1 28 GLN CA C 11.457 2.865 0.632 1.00 . A A . 28 GLN CA 1 1 8 5195 1 1 28 GLN CB C 11.952 2.057 1.840 1.00 . A A . 28 GLN CB 1 1 8 5196 1 1 28 GLN CD C 12.648 -0.226 2.563 1.00 . A A . 28 GLN CD 1 1 8 5197 1 1 28 GLN CG C 11.797 0.560 1.566 1.00 . A A . 28 GLN CG 1 1 8 5198 1 1 28 GLN H H 11.943 4.772 1.518 1.00 . A A . 28 GLN H 1 1 8 5199 1 1 28 GLN HA H 11.775 2.379 -0.279 1.00 . A A . 28 GLN HA 1 1 8 5200 1 1 28 GLN HB2 H 12.996 2.284 2.028 1.00 . A A . 28 GLN HB2 1 1 8 5201 1 1 28 GLN HB3 H 11.368 2.322 2.709 1.00 . A A . 28 GLN HB3 1 1 8 5202 1 1 28 GLN HE21 H 11.968 0.769 4.141 1.00 . A A . 28 GLN HE21 1 1 8 5203 1 1 28 GLN HE22 H 13.112 -0.438 4.482 1.00 . A A . 28 GLN HE22 1 1 8 5204 1 1 28 GLN HG2 H 10.760 0.280 1.678 1.00 . A A . 28 GLN HG2 1 1 8 5205 1 1 28 GLN HG3 H 12.126 0.337 0.562 1.00 . A A . 28 GLN HG3 1 1 8 5206 1 1 28 GLN N N 12.052 4.238 0.703 1.00 . A A . 28 GLN N 1 1 8 5207 1 1 28 GLN NE2 N 12.568 0.058 3.834 1.00 . A A . 28 GLN NE2 1 1 8 5208 1 1 28 GLN O O 9.348 3.760 1.362 1.00 . A A . 28 GLN O 1 1 8 5209 1 1 28 GLN OE1 O 13.397 -1.103 2.182 1.00 . A A . 28 GLN OE1 1 1 8 5210 1 1 29 SER C C 7.195 1.136 0.894 1.00 . A A . 29 SER C 1 1 8 5211 1 1 29 SER CA C 7.758 2.133 -0.126 1.00 . A A . 29 SER CA 1 1 8 5212 1 1 29 SER CB C 7.274 1.744 -1.522 1.00 . A A . 29 SER CB 1 1 8 5213 1 1 29 SER H H 9.744 1.470 -0.657 1.00 . A A . 29 SER H 1 1 8 5214 1 1 29 SER HA H 7.412 3.122 0.114 1.00 . A A . 29 SER HA 1 1 8 5215 1 1 29 SER HB2 H 7.542 0.721 -1.724 1.00 . A A . 29 SER HB2 1 1 8 5216 1 1 29 SER HB3 H 6.201 1.844 -1.567 1.00 . A A . 29 SER HB3 1 1 8 5217 1 1 29 SER HG H 8.803 2.713 -2.237 1.00 . A A . 29 SER HG 1 1 8 5218 1 1 29 SER N N 9.257 2.112 -0.100 1.00 . A A . 29 SER N 1 1 8 5219 1 1 29 SER O O 7.733 0.069 1.076 1.00 . A A . 29 SER O 1 1 8 5220 1 1 29 SER OG O 7.886 2.586 -2.491 1.00 . A A . 29 SER OG 1 1 8 5221 1 1 30 SER C C 3.999 0.360 2.295 1.00 . A A . 30 SER C 1 1 8 5222 1 1 30 SER CA C 5.505 0.551 2.555 1.00 . A A . 30 SER CA 1 1 8 5223 1 1 30 SER CB C 5.703 1.134 3.952 1.00 . A A . 30 SER CB 1 1 8 5224 1 1 30 SER H H 5.684 2.323 1.384 1.00 . A A . 30 SER H 1 1 8 5225 1 1 30 SER HA H 5.996 -0.389 2.489 1.00 . A A . 30 SER HA 1 1 8 5226 1 1 30 SER HB2 H 6.755 1.166 4.185 1.00 . A A . 30 SER HB2 1 1 8 5227 1 1 30 SER HB3 H 5.300 2.138 3.982 1.00 . A A . 30 SER HB3 1 1 8 5228 1 1 30 SER HG H 4.767 0.871 5.636 1.00 . A A . 30 SER HG 1 1 8 5229 1 1 30 SER N N 6.103 1.473 1.552 1.00 . A A . 30 SER N 1 1 8 5230 1 1 30 SER O O 3.271 1.309 2.087 1.00 . A A . 30 SER O 1 1 8 5231 1 1 30 SER OG O 5.036 0.314 4.902 1.00 . A A . 30 SER OG 1 1 8 5232 1 1 31 CYS C C 1.233 -0.666 3.265 1.00 . A A . 31 CYS C 1 1 8 5233 1 1 31 CYS CA C 2.080 -1.142 2.076 1.00 . A A . 31 CYS CA 1 1 8 5234 1 1 31 CYS CB C 1.853 -2.646 1.889 1.00 . A A . 31 CYS CB 1 1 8 5235 1 1 31 CYS H H 4.147 -1.614 2.488 1.00 . A A . 31 CYS H 1 1 8 5236 1 1 31 CYS HA H 1.768 -0.627 1.189 1.00 . A A . 31 CYS HA 1 1 8 5237 1 1 31 CYS HB2 H 2.259 -3.176 2.734 1.00 . A A . 31 CYS HB2 1 1 8 5238 1 1 31 CYS HB3 H 0.797 -2.842 1.818 1.00 . A A . 31 CYS HB3 1 1 8 5239 1 1 31 CYS N N 3.534 -0.869 2.315 1.00 . A A . 31 CYS N 1 1 8 5240 1 1 31 CYS O O 1.626 -0.779 4.408 1.00 . A A . 31 CYS O 1 1 8 5241 1 1 31 CYS SG S 2.668 -3.223 0.385 1.00 . A A . 31 CYS SG 1 1 8 5242 1 1 32 GLU C C -2.304 0.149 3.612 1.00 . A A . 32 GLU C 1 1 8 5243 1 1 32 GLU CA C -0.852 0.298 4.083 1.00 . A A . 32 GLU CA 1 1 8 5244 1 1 32 GLU CB C -0.530 1.755 4.457 1.00 . A A . 32 GLU CB 1 1 8 5245 1 1 32 GLU CD C -1.260 4.133 4.225 1.00 . A A . 32 GLU CD 1 1 8 5246 1 1 32 GLU CG C -1.408 2.718 3.661 1.00 . A A . 32 GLU CG 1 1 8 5247 1 1 32 GLU H H -0.243 -0.106 2.067 1.00 . A A . 32 GLU H 1 1 8 5248 1 1 32 GLU HA H -0.712 -0.324 4.947 1.00 . A A . 32 GLU HA 1 1 8 5249 1 1 32 GLU HB2 H -0.711 1.900 5.512 1.00 . A A . 32 GLU HB2 1 1 8 5250 1 1 32 GLU HB3 H 0.507 1.957 4.242 1.00 . A A . 32 GLU HB3 1 1 8 5251 1 1 32 GLU HG2 H -1.111 2.708 2.623 1.00 . A A . 32 GLU HG2 1 1 8 5252 1 1 32 GLU HG3 H -2.433 2.409 3.747 1.00 . A A . 32 GLU HG3 1 1 8 5253 1 1 32 GLU N N 0.055 -0.162 2.995 1.00 . A A . 32 GLU N 1 1 8 5254 1 1 32 GLU O O -2.644 0.491 2.496 1.00 . A A . 32 GLU O 1 1 8 5255 1 1 32 GLU OE1 O -1.908 4.423 5.219 1.00 . A A . 32 GLU OE1 1 1 8 5256 1 1 32 GLU OE2 O -0.506 4.904 3.655 1.00 . A A . 32 GLU OE2 1 1 8 5257 1 1 33 ARG C C -5.201 0.801 3.666 1.00 . A A . 33 ARG C 1 1 8 5258 1 1 33 ARG CA C -4.586 -0.544 4.053 1.00 . A A . 33 ARG CA 1 1 8 5259 1 1 33 ARG CB C -5.374 -1.143 5.222 1.00 . A A . 33 ARG CB 1 1 8 5260 1 1 33 ARG CD C -7.552 0.077 5.588 1.00 . A A . 33 ARG CD 1 1 8 5261 1 1 33 ARG CG C -6.883 -1.125 4.909 1.00 . A A . 33 ARG CG 1 1 8 5262 1 1 33 ARG CZ C -7.772 -0.574 7.913 1.00 . A A . 33 ARG CZ 1 1 8 5263 1 1 33 ARG H H -2.862 -0.639 5.344 1.00 . A A . 33 ARG H 1 1 8 5264 1 1 33 ARG HA H -4.638 -1.215 3.210 1.00 . A A . 33 ARG HA 1 1 8 5265 1 1 33 ARG HB2 H -5.053 -2.163 5.380 1.00 . A A . 33 ARG HB2 1 1 8 5266 1 1 33 ARG HB3 H -5.181 -0.567 6.115 1.00 . A A . 33 ARG HB3 1 1 8 5267 1 1 33 ARG HD2 H -7.254 0.986 5.091 1.00 . A A . 33 ARG HD2 1 1 8 5268 1 1 33 ARG HD3 H -8.626 -0.028 5.525 1.00 . A A . 33 ARG HD3 1 1 8 5269 1 1 33 ARG HE H -6.411 0.728 7.293 1.00 . A A . 33 ARG HE 1 1 8 5270 1 1 33 ARG HG2 H -7.030 -1.054 3.839 1.00 . A A . 33 ARG HG2 1 1 8 5271 1 1 33 ARG HG3 H -7.338 -2.035 5.271 1.00 . A A . 33 ARG HG3 1 1 8 5272 1 1 33 ARG HH11 H -9.000 -1.442 6.589 1.00 . A A . 33 ARG HH11 1 1 8 5273 1 1 33 ARG HH12 H -9.219 -1.920 8.240 1.00 . A A . 33 ARG HH12 1 1 8 5274 1 1 33 ARG HH21 H -6.682 0.123 9.440 1.00 . A A . 33 ARG HH21 1 1 8 5275 1 1 33 ARG HH22 H -7.903 -1.035 9.857 1.00 . A A . 33 ARG HH22 1 1 8 5276 1 1 33 ARG N N -3.159 -0.365 4.451 1.00 . A A . 33 ARG N 1 1 8 5277 1 1 33 ARG NE N -7.146 0.141 7.020 1.00 . A A . 33 ARG NE 1 1 8 5278 1 1 33 ARG NH1 N -8.738 -1.375 7.553 1.00 . A A . 33 ARG NH1 1 1 8 5279 1 1 33 ARG NH2 N -7.425 -0.490 9.168 1.00 . A A . 33 ARG NH2 1 1 8 5280 1 1 33 ARG O O -4.918 1.817 4.266 1.00 . A A . 33 ARG O 1 1 8 5281 1 1 34 LYS C C -7.746 1.784 1.169 1.00 . A A . 34 LYS C 1 1 8 5282 1 1 34 LYS CA C -6.723 2.068 2.262 1.00 . A A . 34 LYS CA 1 1 8 5283 1 1 34 LYS CB C -5.679 3.077 1.754 1.00 . A A . 34 LYS CB 1 1 8 5284 1 1 34 LYS CD C -5.388 5.477 2.528 1.00 . A A . 34 LYS CD 1 1 8 5285 1 1 34 LYS CE C -5.655 6.296 3.793 1.00 . A A . 34 LYS CE 1 1 8 5286 1 1 34 LYS CG C -5.226 3.997 2.912 1.00 . A A . 34 LYS CG 1 1 8 5287 1 1 34 LYS H H -6.290 -0.026 2.230 1.00 . A A . 34 LYS H 1 1 8 5288 1 1 34 LYS HA H -7.236 2.475 3.095 1.00 . A A . 34 LYS HA 1 1 8 5289 1 1 34 LYS HB2 H -4.824 2.539 1.368 1.00 . A A . 34 LYS HB2 1 1 8 5290 1 1 34 LYS HB3 H -6.110 3.672 0.964 1.00 . A A . 34 LYS HB3 1 1 8 5291 1 1 34 LYS HD2 H -4.486 5.828 2.051 1.00 . A A . 34 LYS HD2 1 1 8 5292 1 1 34 LYS HD3 H -6.223 5.591 1.852 1.00 . A A . 34 LYS HD3 1 1 8 5293 1 1 34 LYS HE2 H -4.921 6.050 4.545 1.00 . A A . 34 LYS HE2 1 1 8 5294 1 1 34 LYS HE3 H -5.595 7.350 3.562 1.00 . A A . 34 LYS HE3 1 1 8 5295 1 1 34 LYS HG2 H -5.817 3.794 3.792 1.00 . A A . 34 LYS HG2 1 1 8 5296 1 1 34 LYS HG3 H -4.187 3.801 3.132 1.00 . A A . 34 LYS HG3 1 1 8 5297 1 1 34 LYS HZ1 H -7.733 6.408 3.682 1.00 . A A . 34 LYS HZ1 1 1 8 5298 1 1 34 LYS HZ2 H -7.128 6.353 5.267 1.00 . A A . 34 LYS HZ2 1 1 8 5299 1 1 34 LYS HZ3 H -7.150 4.943 4.318 1.00 . A A . 34 LYS HZ3 1 1 8 5300 1 1 34 LYS N N -6.062 0.806 2.680 1.00 . A A . 34 LYS N 1 1 8 5301 1 1 34 LYS NZ N -7.019 5.976 4.304 1.00 . A A . 34 LYS NZ 1 1 8 5302 1 1 34 LYS O O -8.926 1.646 1.429 1.00 . A A . 34 LYS O 1 1 8 5303 1 1 35 TRP C C -7.967 0.080 -1.793 1.00 . A A . 35 TRP C 1 1 8 5304 1 1 35 TRP CA C -8.255 1.446 -1.176 1.00 . A A . 35 TRP CA 1 1 8 5305 1 1 35 TRP CB C -8.075 2.495 -2.284 1.00 . A A . 35 TRP CB 1 1 8 5306 1 1 35 TRP CD1 C -8.857 4.227 -0.590 1.00 . A A . 35 TRP CD1 1 1 8 5307 1 1 35 TRP CD2 C -7.960 5.138 -2.441 1.00 . A A . 35 TRP CD2 1 1 8 5308 1 1 35 TRP CE2 C -8.342 6.214 -1.609 1.00 . A A . 35 TRP CE2 1 1 8 5309 1 1 35 TRP CE3 C -7.364 5.435 -3.679 1.00 . A A . 35 TRP CE3 1 1 8 5310 1 1 35 TRP CG C -8.294 3.887 -1.774 1.00 . A A . 35 TRP CG 1 1 8 5311 1 1 35 TRP CH2 C -7.547 7.819 -3.228 1.00 . A A . 35 TRP CH2 1 1 8 5312 1 1 35 TRP CZ2 C -8.142 7.541 -1.994 1.00 . A A . 35 TRP CZ2 1 1 8 5313 1 1 35 TRP CZ3 C -7.160 6.768 -4.070 1.00 . A A . 35 TRP CZ3 1 1 8 5314 1 1 35 TRP H H -6.356 1.832 -0.215 1.00 . A A . 35 TRP H 1 1 8 5315 1 1 35 TRP HA H -9.273 1.472 -0.819 1.00 . A A . 35 TRP HA 1 1 8 5316 1 1 35 TRP HB2 H -7.078 2.419 -2.687 1.00 . A A . 35 TRP HB2 1 1 8 5317 1 1 35 TRP HB3 H -8.786 2.294 -3.072 1.00 . A A . 35 TRP HB3 1 1 8 5318 1 1 35 TRP HD1 H -9.226 3.538 0.154 1.00 . A A . 35 TRP HD1 1 1 8 5319 1 1 35 TRP HE1 H -9.244 6.115 0.268 1.00 . A A . 35 TRP HE1 1 1 8 5320 1 1 35 TRP HE3 H -7.061 4.632 -4.336 1.00 . A A . 35 TRP HE3 1 1 8 5321 1 1 35 TRP HH2 H -7.388 8.842 -3.534 1.00 . A A . 35 TRP HH2 1 1 8 5322 1 1 35 TRP HZ2 H -8.442 8.348 -1.341 1.00 . A A . 35 TRP HZ2 1 1 8 5323 1 1 35 TRP HZ3 H -6.700 6.984 -5.024 1.00 . A A . 35 TRP HZ3 1 1 8 5324 1 1 35 TRP N N -7.307 1.706 -0.046 1.00 . A A . 35 TRP N 1 1 8 5325 1 1 35 TRP NE1 N -8.887 5.609 -0.492 1.00 . A A . 35 TRP NE1 1 1 8 5326 1 1 35 TRP O O -7.267 -0.745 -1.240 1.00 . A A . 35 TRP O 1 1 8 5327 1 1 36 LYS C C -8.905 -1.310 -5.043 1.00 . A A . 36 LYS C 1 1 8 5328 1 1 36 LYS CA C -8.288 -1.433 -3.662 1.00 . A A . 36 LYS CA 1 1 8 5329 1 1 36 LYS CB C -8.978 -2.586 -2.923 1.00 . A A . 36 LYS CB 1 1 8 5330 1 1 36 LYS CD C -9.281 -5.080 -3.094 1.00 . A A . 36 LYS CD 1 1 8 5331 1 1 36 LYS CE C -8.664 -6.362 -3.671 1.00 . A A . 36 LYS CE 1 1 8 5332 1 1 36 LYS CG C -8.323 -3.908 -3.341 1.00 . A A . 36 LYS CG 1 1 8 5333 1 1 36 LYS H H -9.056 0.547 -3.375 1.00 . A A . 36 LYS H 1 1 8 5334 1 1 36 LYS HA H -7.246 -1.625 -3.754 1.00 . A A . 36 LYS HA 1 1 8 5335 1 1 36 LYS HB2 H -8.873 -2.448 -1.857 1.00 . A A . 36 LYS HB2 1 1 8 5336 1 1 36 LYS HB3 H -10.025 -2.607 -3.185 1.00 . A A . 36 LYS HB3 1 1 8 5337 1 1 36 LYS HD2 H -9.441 -5.199 -2.032 1.00 . A A . 36 LYS HD2 1 1 8 5338 1 1 36 LYS HD3 H -10.225 -4.886 -3.581 1.00 . A A . 36 LYS HD3 1 1 8 5339 1 1 36 LYS HE2 H -8.164 -6.135 -4.602 1.00 . A A . 36 LYS HE2 1 1 8 5340 1 1 36 LYS HE3 H -7.949 -6.765 -2.968 1.00 . A A . 36 LYS HE3 1 1 8 5341 1 1 36 LYS HG2 H -8.065 -3.868 -4.388 1.00 . A A . 36 LYS HG2 1 1 8 5342 1 1 36 LYS HG3 H -7.425 -4.056 -2.759 1.00 . A A . 36 LYS HG3 1 1 8 5343 1 1 36 LYS HZ1 H -10.129 -7.229 -4.873 1.00 . A A . 36 LYS HZ1 1 1 8 5344 1 1 36 LYS HZ2 H -10.492 -7.253 -3.217 1.00 . A A . 36 LYS HZ2 1 1 8 5345 1 1 36 LYS HZ3 H -9.336 -8.325 -3.847 1.00 . A A . 36 LYS HZ3 1 1 8 5346 1 1 36 LYS N N -8.505 -0.146 -2.955 1.00 . A A . 36 LYS N 1 1 8 5347 1 1 36 LYS NZ N -9.736 -7.369 -3.919 1.00 . A A . 36 LYS NZ 1 1 8 5348 1 1 36 LYS O O -8.260 -1.491 -6.054 1.00 . A A . 36 LYS O 1 1 8 5349 1 1 37 TYR C C -12.368 -0.510 -6.066 1.00 . A A . 37 TYR C 1 1 8 5350 1 1 37 TYR CA C -10.888 -0.808 -6.348 1.00 . A A . 37 TYR CA 1 1 8 5351 1 1 37 TYR CB C -10.776 -2.088 -7.196 1.00 . A A . 37 TYR CB 1 1 8 5352 1 1 37 TYR CD1 C -9.530 -0.969 -9.100 1.00 . A A . 37 TYR CD1 1 1 8 5353 1 1 37 TYR CD2 C -8.585 -2.968 -8.101 1.00 . A A . 37 TYR CD2 1 1 8 5354 1 1 37 TYR CE1 C -8.447 -0.906 -9.991 1.00 . A A . 37 TYR CE1 1 1 8 5355 1 1 37 TYR CE2 C -7.506 -2.902 -8.988 1.00 . A A . 37 TYR CE2 1 1 8 5356 1 1 37 TYR CG C -9.600 -2.000 -8.152 1.00 . A A . 37 TYR CG 1 1 8 5357 1 1 37 TYR CZ C -7.437 -1.873 -9.933 1.00 . A A . 37 TYR CZ 1 1 8 5358 1 1 37 TYR H H -10.651 -0.833 -4.171 1.00 . A A . 37 TYR H 1 1 8 5359 1 1 37 TYR HA H -10.466 0.018 -6.880 1.00 . A A . 37 TYR HA 1 1 8 5360 1 1 37 TYR HB2 H -10.641 -2.936 -6.541 1.00 . A A . 37 TYR HB2 1 1 8 5361 1 1 37 TYR HB3 H -11.686 -2.222 -7.765 1.00 . A A . 37 TYR HB3 1 1 8 5362 1 1 37 TYR HD1 H -10.308 -0.221 -9.146 1.00 . A A . 37 TYR HD1 1 1 8 5363 1 1 37 TYR HD2 H -8.636 -3.763 -7.372 1.00 . A A . 37 TYR HD2 1 1 8 5364 1 1 37 TYR HE1 H -8.393 -0.110 -10.720 1.00 . A A . 37 TYR HE1 1 1 8 5365 1 1 37 TYR HE2 H -6.725 -3.647 -8.944 1.00 . A A . 37 TYR HE2 1 1 8 5366 1 1 37 TYR HH H -6.258 -0.899 -11.079 1.00 . A A . 37 TYR HH 1 1 8 5367 1 1 37 TYR N N -10.153 -0.980 -5.061 1.00 . A A . 37 TYR N 1 1 8 5368 1 1 37 TYR O O -13.042 0.086 -6.879 1.00 . A A . 37 TYR O 1 1 8 5369 1 1 37 TYR OH O -6.373 -1.814 -10.811 1.00 . A A . 37 TYR OH 1 1 8 5370 1 1 38 LEU C C -14.920 -2.086 -4.205 1.00 . A A . 38 LEU C 1 1 8 5371 1 1 38 LEU CA C -14.294 -0.711 -4.517 1.00 . A A . 38 LEU CA 1 1 8 5372 1 1 38 LEU CB C -15.064 -0.012 -5.652 1.00 . A A . 38 LEU CB 1 1 8 5373 1 1 38 LEU CD1 C -16.553 1.101 -3.966 1.00 . A A . 38 LEU CD1 1 1 8 5374 1 1 38 LEU CD2 C -17.171 1.051 -6.380 1.00 . A A . 38 LEU CD2 1 1 8 5375 1 1 38 LEU CG C -16.512 0.266 -5.253 1.00 . A A . 38 LEU CG 1 1 8 5376 1 1 38 LEU H H -12.264 -1.403 -4.314 1.00 . A A . 38 LEU H 1 1 8 5377 1 1 38 LEU HA H -14.319 -0.098 -3.629 1.00 . A A . 38 LEU HA 1 1 8 5378 1 1 38 LEU HB2 H -14.582 0.927 -5.878 1.00 . A A . 38 LEU HB2 1 1 8 5379 1 1 38 LEU HB3 H -15.054 -0.641 -6.530 1.00 . A A . 38 LEU HB3 1 1 8 5380 1 1 38 LEU HD11 H -17.508 1.599 -3.888 1.00 . A A . 38 LEU HD11 1 1 8 5381 1 1 38 LEU HD12 H -15.765 1.839 -3.991 1.00 . A A . 38 LEU HD12 1 1 8 5382 1 1 38 LEU HD13 H -16.414 0.456 -3.111 1.00 . A A . 38 LEU HD13 1 1 8 5383 1 1 38 LEU HD21 H -17.238 0.426 -7.258 1.00 . A A . 38 LEU HD21 1 1 8 5384 1 1 38 LEU HD22 H -16.573 1.922 -6.605 1.00 . A A . 38 LEU HD22 1 1 8 5385 1 1 38 LEU HD23 H -18.160 1.358 -6.078 1.00 . A A . 38 LEU HD23 1 1 8 5386 1 1 38 LEU HG H -17.040 -0.661 -5.111 1.00 . A A . 38 LEU HG 1 1 8 5387 1 1 38 LEU N N -12.856 -0.930 -4.920 1.00 . A A . 38 LEU N 1 1 8 5388 1 1 38 LEU O O -14.292 -3.102 -4.408 1.00 . A A . 38 LEU O 1 1 8 5389 1 1 39 PHE C C -15.754 -4.484 -2.950 1.00 . A A . 39 PHE C 1 1 8 5390 1 1 39 PHE CA C -16.802 -3.440 -3.378 1.00 . A A . 39 PHE CA 1 1 8 5391 1 1 39 PHE CB C -17.541 -3.953 -4.625 1.00 . A A . 39 PHE CB 1 1 8 5392 1 1 39 PHE CD1 C -19.012 -5.643 -3.460 1.00 . A A . 39 PHE CD1 1 1 8 5393 1 1 39 PHE CD2 C -20.059 -3.841 -4.700 1.00 . A A . 39 PHE CD2 1 1 8 5394 1 1 39 PHE CE1 C -20.277 -6.142 -3.122 1.00 . A A . 39 PHE CE1 1 1 8 5395 1 1 39 PHE CE2 C -21.321 -4.342 -4.365 1.00 . A A . 39 PHE CE2 1 1 8 5396 1 1 39 PHE CG C -18.903 -4.491 -4.249 1.00 . A A . 39 PHE CG 1 1 8 5397 1 1 39 PHE CZ C -21.431 -5.491 -3.574 1.00 . A A . 39 PHE CZ 1 1 8 5398 1 1 39 PHE H H -16.625 -1.292 -3.548 1.00 . A A . 39 PHE H 1 1 8 5399 1 1 39 PHE HA H -17.508 -3.290 -2.574 1.00 . A A . 39 PHE HA 1 1 8 5400 1 1 39 PHE HB2 H -17.661 -3.140 -5.326 1.00 . A A . 39 PHE HB2 1 1 8 5401 1 1 39 PHE HB3 H -16.964 -4.739 -5.090 1.00 . A A . 39 PHE HB3 1 1 8 5402 1 1 39 PHE HD1 H -18.123 -6.144 -3.110 1.00 . A A . 39 PHE HD1 1 1 8 5403 1 1 39 PHE HD2 H -19.975 -2.953 -5.309 1.00 . A A . 39 PHE HD2 1 1 8 5404 1 1 39 PHE HE1 H -20.361 -7.030 -2.512 1.00 . A A . 39 PHE HE1 1 1 8 5405 1 1 39 PHE HE2 H -22.211 -3.838 -4.714 1.00 . A A . 39 PHE HE2 1 1 8 5406 1 1 39 PHE HZ H -22.405 -5.877 -3.316 1.00 . A A . 39 PHE HZ 1 1 8 5407 1 1 39 PHE N N -16.140 -2.127 -3.711 1.00 . A A . 39 PHE N 1 1 8 5408 1 1 39 PHE O O -15.007 -4.994 -3.758 1.00 . A A . 39 PHE O 1 1 8 5409 1 1 40 THR C C -13.350 -5.136 -1.036 1.00 . A A . 40 THR C 1 1 8 5410 1 1 40 THR CA C -14.720 -5.798 -1.162 1.00 . A A . 40 THR CA 1 1 8 5411 1 1 40 THR CB C -14.619 -7.004 -2.106 1.00 . A A . 40 THR CB 1 1 8 5412 1 1 40 THR CG2 C -13.970 -8.187 -1.369 1.00 . A A . 40 THR CG2 1 1 8 5413 1 1 40 THR H H -16.328 -4.366 -1.054 1.00 . A A . 40 THR H 1 1 8 5414 1 1 40 THR HA H -15.037 -6.135 -0.187 1.00 . A A . 40 THR HA 1 1 8 5415 1 1 40 THR HB H -14.013 -6.748 -2.962 1.00 . A A . 40 THR HB 1 1 8 5416 1 1 40 THR HG1 H -16.505 -7.337 -1.776 1.00 . A A . 40 THR HG1 1 1 8 5417 1 1 40 THR HG21 H -13.463 -7.831 -0.481 1.00 . A A . 40 THR HG21 1 1 8 5418 1 1 40 THR HG22 H -13.255 -8.672 -2.018 1.00 . A A . 40 THR HG22 1 1 8 5419 1 1 40 THR HG23 H -14.733 -8.897 -1.083 1.00 . A A . 40 THR HG23 1 1 8 5420 1 1 40 THR N N -15.708 -4.797 -1.678 1.00 . A A . 40 THR N 1 1 8 5421 1 1 40 THR O O -12.350 -5.790 -0.823 1.00 . A A . 40 THR O 1 1 8 5422 1 1 40 THR OG1 O -15.920 -7.374 -2.537 1.00 . A A . 40 THR OG1 1 1 8 5423 1 1 41 GLY C C -11.563 -3.059 0.408 1.00 . A A . 41 GLY C 1 1 8 5424 1 1 41 GLY CA C -11.987 -3.144 -1.062 1.00 . A A . 41 GLY CA 1 1 8 5425 1 1 41 GLY H H -14.114 -3.332 -1.346 1.00 . A A . 41 GLY H 1 1 8 5426 1 1 41 GLY HA2 H -11.244 -3.696 -1.619 1.00 . A A . 41 GLY HA2 1 1 8 5427 1 1 41 GLY HA3 H -12.076 -2.148 -1.467 1.00 . A A . 41 GLY HA3 1 1 8 5428 1 1 41 GLY N N -13.295 -3.843 -1.172 1.00 . A A . 41 GLY N 1 1 8 5429 1 1 41 GLY O O -10.768 -2.220 0.781 1.00 . A A . 41 GLY O 1 1 8 5430 1 1 42 GLU C C -10.789 -5.080 3.004 1.00 . A A . 42 GLU C 1 1 8 5431 1 1 42 GLU CA C -11.704 -3.893 2.691 1.00 . A A . 42 GLU CA 1 1 8 5432 1 1 42 GLU CB C -12.969 -3.985 3.556 1.00 . A A . 42 GLU CB 1 1 8 5433 1 1 42 GLU CD C -12.096 -2.508 5.380 1.00 . A A . 42 GLU CD 1 1 8 5434 1 1 42 GLU CG C -12.593 -3.915 5.042 1.00 . A A . 42 GLU CG 1 1 8 5435 1 1 42 GLU H H -12.722 -4.592 0.920 1.00 . A A . 42 GLU H 1 1 8 5436 1 1 42 GLU HA H -11.184 -2.972 2.913 1.00 . A A . 42 GLU HA 1 1 8 5437 1 1 42 GLU HB2 H -13.629 -3.164 3.315 1.00 . A A . 42 GLU HB2 1 1 8 5438 1 1 42 GLU HB3 H -13.472 -4.919 3.358 1.00 . A A . 42 GLU HB3 1 1 8 5439 1 1 42 GLU HG2 H -13.461 -4.145 5.643 1.00 . A A . 42 GLU HG2 1 1 8 5440 1 1 42 GLU HG3 H -11.813 -4.632 5.253 1.00 . A A . 42 GLU HG3 1 1 8 5441 1 1 42 GLU N N -12.084 -3.921 1.244 1.00 . A A . 42 GLU N 1 1 8 5442 1 1 42 GLU O O -11.010 -6.184 2.549 1.00 . A A . 42 GLU O 1 1 8 5443 1 1 42 GLU OE1 O -12.209 -1.640 4.530 1.00 . A A . 42 GLU OE1 1 1 8 5444 1 1 42 GLU OE2 O -11.613 -2.322 6.484 1.00 . A A . 42 GLU OE2 1 1 8 5445 1 1 43 CYS C C -8.048 -5.598 5.397 1.00 . A A . 43 CYS C 1 1 8 5446 1 1 43 CYS CA C -8.839 -5.977 4.143 1.00 . A A . 43 CYS CA 1 1 8 5447 1 1 43 CYS CB C -7.866 -6.235 2.990 1.00 . A A . 43 CYS CB 1 1 8 5448 1 1 43 CYS H H -9.612 -3.963 4.149 1.00 . A A . 43 CYS H 1 1 8 5449 1 1 43 CYS HXT H -8.521 -3.966 6.101 1.00 . A A . 43 CYS HXT 1 1 8 5450 1 1 43 CYS HA H -9.412 -6.870 4.336 1.00 . A A . 43 CYS HA 1 1 8 5451 1 1 43 CYS HB2 H -8.397 -6.673 2.160 1.00 . A A . 43 CYS HB2 1 1 8 5452 1 1 43 CYS HB3 H -7.415 -5.303 2.681 1.00 . A A . 43 CYS HB3 1 1 8 5453 1 1 43 CYS N N -9.767 -4.861 3.787 1.00 . A A . 43 CYS N 1 1 8 5454 1 1 43 CYS O O -7.734 -6.491 6.165 1.00 . A A . 43 CYS O 1 1 8 5455 1 1 43 CYS OXT O -7.770 -4.423 5.565 1.00 . A A . 43 CYS OXT 1 1 8 5456 1 1 43 CYS SG S -6.573 -7.375 3.549 1.00 . A A . 43 CYS SG 1 1 9 5457 1 1 1 CYS C C 3.809 -8.156 0.081 1.00 . A A . 1 CYS C 1 1 9 5458 1 1 1 CYS CA C 3.486 -8.712 -1.310 1.00 . A A . 1 CYS CA 1 1 9 5459 1 1 1 CYS CB C 2.239 -9.612 -1.248 1.00 . A A . 1 CYS CB 1 1 9 5460 1 1 1 CYS H1 H 5.476 -8.874 -1.869 1.00 . A A . 1 CYS H1 1 1 9 5461 1 1 1 CYS H2 H 4.836 -10.283 -1.208 1.00 . A A . 1 CYS H2 1 1 9 5462 1 1 1 CYS H3 H 4.432 -9.830 -2.776 1.00 . A A . 1 CYS H3 1 1 9 5463 1 1 1 CYS HA H 3.290 -7.891 -1.971 1.00 . A A . 1 CYS HA 1 1 9 5464 1 1 1 CYS HB2 H 1.368 -9.009 -1.404 1.00 . A A . 1 CYS HB2 1 1 9 5465 1 1 1 CYS HB3 H 2.290 -10.361 -2.025 1.00 . A A . 1 CYS HB3 1 1 9 5466 1 1 1 CYS N N 4.647 -9.484 -1.831 1.00 . A A . 1 CYS N 1 1 9 5467 1 1 1 CYS O O 3.924 -8.887 1.043 1.00 . A A . 1 CYS O 1 1 9 5468 1 1 1 CYS SG S 2.118 -10.432 0.366 1.00 . A A . 1 CYS SG 1 1 9 5469 1 1 2 GLY C C 3.037 -6.516 2.442 1.00 . A A . 2 GLY C 1 1 9 5470 1 1 2 GLY CA C 4.248 -6.286 1.537 1.00 . A A . 2 GLY CA 1 1 9 5471 1 1 2 GLY H H 3.852 -6.277 -0.579 1.00 . A A . 2 GLY H 1 1 9 5472 1 1 2 GLY HA2 H 5.116 -6.775 1.959 1.00 . A A . 2 GLY HA2 1 1 9 5473 1 1 2 GLY HA3 H 4.431 -5.228 1.446 1.00 . A A . 2 GLY HA3 1 1 9 5474 1 1 2 GLY N N 3.950 -6.864 0.202 1.00 . A A . 2 GLY N 1 1 9 5475 1 1 2 GLY O O 1.914 -6.584 1.983 1.00 . A A . 2 GLY O 1 1 9 5476 1 1 3 SER C C 1.656 -5.525 5.218 1.00 . A A . 3 SER C 1 1 9 5477 1 1 3 SER CA C 2.105 -6.866 4.645 1.00 . A A . 3 SER CA 1 1 9 5478 1 1 3 SER CB C 2.546 -7.783 5.787 1.00 . A A . 3 SER CB 1 1 9 5479 1 1 3 SER H H 4.163 -6.582 4.074 1.00 . A A . 3 SER H 1 1 9 5480 1 1 3 SER HA H 1.287 -7.325 4.109 1.00 . A A . 3 SER HA 1 1 9 5481 1 1 3 SER HB2 H 3.109 -8.612 5.390 1.00 . A A . 3 SER HB2 1 1 9 5482 1 1 3 SER HB3 H 3.166 -7.227 6.477 1.00 . A A . 3 SER HB3 1 1 9 5483 1 1 3 SER HG H 0.620 -7.989 5.972 1.00 . A A . 3 SER HG 1 1 9 5484 1 1 3 SER N N 3.250 -6.637 3.720 1.00 . A A . 3 SER N 1 1 9 5485 1 1 3 SER O O 2.190 -4.487 4.882 1.00 . A A . 3 SER O 1 1 9 5486 1 1 3 SER OG O 1.395 -8.280 6.458 1.00 . A A . 3 SER OG 1 1 9 5487 1 1 4 LYS C C 1.433 -3.469 7.145 1.00 . A A . 4 LYS C 1 1 9 5488 1 1 4 LYS CA C 0.206 -4.258 6.679 1.00 . A A . 4 LYS CA 1 1 9 5489 1 1 4 LYS CB C -0.719 -4.600 7.856 1.00 . A A . 4 LYS CB 1 1 9 5490 1 1 4 LYS CD C -2.407 -3.748 9.479 1.00 . A A . 4 LYS CD 1 1 9 5491 1 1 4 LYS CE C -2.648 -2.628 10.495 1.00 . A A . 4 LYS CE 1 1 9 5492 1 1 4 LYS CG C -1.321 -3.335 8.475 1.00 . A A . 4 LYS CG 1 1 9 5493 1 1 4 LYS H H 0.264 -6.385 6.343 1.00 . A A . 4 LYS H 1 1 9 5494 1 1 4 LYS HA H -0.334 -3.688 5.939 1.00 . A A . 4 LYS HA 1 1 9 5495 1 1 4 LYS HB2 H -1.517 -5.236 7.505 1.00 . A A . 4 LYS HB2 1 1 9 5496 1 1 4 LYS HB3 H -0.152 -5.125 8.610 1.00 . A A . 4 LYS HB3 1 1 9 5497 1 1 4 LYS HD2 H -3.327 -3.946 8.945 1.00 . A A . 4 LYS HD2 1 1 9 5498 1 1 4 LYS HD3 H -2.098 -4.642 9.999 1.00 . A A . 4 LYS HD3 1 1 9 5499 1 1 4 LYS HE2 H -3.645 -2.718 10.899 1.00 . A A . 4 LYS HE2 1 1 9 5500 1 1 4 LYS HE3 H -1.928 -2.712 11.297 1.00 . A A . 4 LYS HE3 1 1 9 5501 1 1 4 LYS HG2 H -0.548 -2.774 8.980 1.00 . A A . 4 LYS HG2 1 1 9 5502 1 1 4 LYS HG3 H -1.764 -2.728 7.698 1.00 . A A . 4 LYS HG3 1 1 9 5503 1 1 4 LYS HZ1 H -1.524 -1.190 9.496 1.00 . A A . 4 LYS HZ1 1 1 9 5504 1 1 4 LYS HZ2 H -2.717 -0.550 10.517 1.00 . A A . 4 LYS HZ2 1 1 9 5505 1 1 4 LYS HZ3 H -3.157 -1.242 9.030 1.00 . A A . 4 LYS HZ3 1 1 9 5506 1 1 4 LYS N N 0.682 -5.536 6.083 1.00 . A A . 4 LYS N 1 1 9 5507 1 1 4 LYS NZ N -2.501 -1.303 9.833 1.00 . A A . 4 LYS NZ 1 1 9 5508 1 1 4 LYS O O 2.224 -3.945 7.933 1.00 . A A . 4 LYS O 1 1 9 5509 1 1 5 ARG C C 4.071 -2.280 6.633 1.00 . A A . 5 ARG C 1 1 9 5510 1 1 5 ARG CA C 2.815 -1.477 6.996 1.00 . A A . 5 ARG CA 1 1 9 5511 1 1 5 ARG CB C 2.811 -1.182 8.502 1.00 . A A . 5 ARG CB 1 1 9 5512 1 1 5 ARG CD C 1.756 1.088 8.271 1.00 . A A . 5 ARG CD 1 1 9 5513 1 1 5 ARG CG C 1.599 -0.317 8.867 1.00 . A A . 5 ARG CG 1 1 9 5514 1 1 5 ARG CZ C 1.602 3.015 9.767 1.00 . A A . 5 ARG CZ 1 1 9 5515 1 1 5 ARG H H 0.982 -1.932 5.965 1.00 . A A . 5 ARG H 1 1 9 5516 1 1 5 ARG HA H 2.810 -0.547 6.446 1.00 . A A . 5 ARG HA 1 1 9 5517 1 1 5 ARG HB2 H 2.767 -2.110 9.051 1.00 . A A . 5 ARG HB2 1 1 9 5518 1 1 5 ARG HB3 H 3.716 -0.655 8.764 1.00 . A A . 5 ARG HB3 1 1 9 5519 1 1 5 ARG HD2 H 2.799 1.360 8.252 1.00 . A A . 5 ARG HD2 1 1 9 5520 1 1 5 ARG HD3 H 1.367 1.093 7.262 1.00 . A A . 5 ARG HD3 1 1 9 5521 1 1 5 ARG HE H 0.011 1.995 9.151 1.00 . A A . 5 ARG HE 1 1 9 5522 1 1 5 ARG HG2 H 0.701 -0.775 8.478 1.00 . A A . 5 ARG HG2 1 1 9 5523 1 1 5 ARG HG3 H 1.524 -0.240 9.942 1.00 . A A . 5 ARG HG3 1 1 9 5524 1 1 5 ARG HH11 H 3.442 2.492 9.162 1.00 . A A . 5 ARG HH11 1 1 9 5525 1 1 5 ARG HH12 H 3.362 3.855 10.225 1.00 . A A . 5 ARG HH12 1 1 9 5526 1 1 5 ARG HH21 H -0.086 3.767 10.533 1.00 . A A . 5 ARG HH21 1 1 9 5527 1 1 5 ARG HH22 H 1.374 4.575 10.997 1.00 . A A . 5 ARG HH22 1 1 9 5528 1 1 5 ARG N N 1.617 -2.280 6.624 1.00 . A A . 5 ARG N 1 1 9 5529 1 1 5 ARG NE N 0.986 2.065 9.102 1.00 . A A . 5 ARG NE 1 1 9 5530 1 1 5 ARG NH1 N 2.904 3.129 9.713 1.00 . A A . 5 ARG NH1 1 1 9 5531 1 1 5 ARG NH2 N 0.910 3.850 10.489 1.00 . A A . 5 ARG NH2 1 1 9 5532 1 1 5 ARG O O 4.617 -2.988 7.453 1.00 . A A . 5 ARG O 1 1 9 5533 1 1 6 ALA C C 6.135 -2.616 3.545 1.00 . A A . 6 ALA C 1 1 9 5534 1 1 6 ALA CA C 5.750 -2.944 4.995 1.00 . A A . 6 ALA CA 1 1 9 5535 1 1 6 ALA CB C 5.465 -4.446 5.100 1.00 . A A . 6 ALA CB 1 1 9 5536 1 1 6 ALA H H 4.071 -1.600 4.763 1.00 . A A . 6 ALA H 1 1 9 5537 1 1 6 ALA HA H 6.572 -2.691 5.648 1.00 . A A . 6 ALA HA 1 1 9 5538 1 1 6 ALA HB1 H 4.946 -4.655 6.022 1.00 . A A . 6 ALA HB1 1 1 9 5539 1 1 6 ALA HB2 H 6.397 -4.990 5.082 1.00 . A A . 6 ALA HB2 1 1 9 5540 1 1 6 ALA HB3 H 4.855 -4.753 4.263 1.00 . A A . 6 ALA HB3 1 1 9 5541 1 1 6 ALA N N 4.532 -2.175 5.408 1.00 . A A . 6 ALA N 1 1 9 5542 1 1 6 ALA O O 5.300 -2.351 2.706 1.00 . A A . 6 ALA O 1 1 9 5543 1 1 7 TRP C C 7.039 -2.900 0.790 1.00 . A A . 7 TRP C 1 1 9 5544 1 1 7 TRP CA C 7.932 -2.320 1.891 1.00 . A A . 7 TRP CA 1 1 9 5545 1 1 7 TRP CB C 9.348 -2.893 1.759 1.00 . A A . 7 TRP CB 1 1 9 5546 1 1 7 TRP CD1 C 10.410 -1.809 -0.273 1.00 . A A . 7 TRP CD1 1 1 9 5547 1 1 7 TRP CD2 C 9.670 -3.892 -0.677 1.00 . A A . 7 TRP CD2 1 1 9 5548 1 1 7 TRP CE2 C 10.228 -3.420 -1.888 1.00 . A A . 7 TRP CE2 1 1 9 5549 1 1 7 TRP CE3 C 9.128 -5.186 -0.656 1.00 . A A . 7 TRP CE3 1 1 9 5550 1 1 7 TRP CG C 9.792 -2.852 0.330 1.00 . A A . 7 TRP CG 1 1 9 5551 1 1 7 TRP CH2 C 9.706 -5.498 -2.998 1.00 . A A . 7 TRP CH2 1 1 9 5552 1 1 7 TRP CZ2 C 10.248 -4.209 -3.038 1.00 . A A . 7 TRP CZ2 1 1 9 5553 1 1 7 TRP CZ3 C 9.147 -5.985 -1.810 1.00 . A A . 7 TRP CZ3 1 1 9 5554 1 1 7 TRP H H 8.054 -2.852 3.973 1.00 . A A . 7 TRP H 1 1 9 5555 1 1 7 TRP HA H 7.977 -1.252 1.769 1.00 . A A . 7 TRP HA 1 1 9 5556 1 1 7 TRP HB2 H 10.029 -2.309 2.360 1.00 . A A . 7 TRP HB2 1 1 9 5557 1 1 7 TRP HB3 H 9.352 -3.915 2.107 1.00 . A A . 7 TRP HB3 1 1 9 5558 1 1 7 TRP HD1 H 10.660 -0.871 0.194 1.00 . A A . 7 TRP HD1 1 1 9 5559 1 1 7 TRP HE1 H 11.105 -1.563 -2.248 1.00 . A A . 7 TRP HE1 1 1 9 5560 1 1 7 TRP HE3 H 8.695 -5.572 0.257 1.00 . A A . 7 TRP HE3 1 1 9 5561 1 1 7 TRP HH2 H 9.716 -6.120 -3.881 1.00 . A A . 7 TRP HH2 1 1 9 5562 1 1 7 TRP HZ2 H 10.680 -3.829 -3.951 1.00 . A A . 7 TRP HZ2 1 1 9 5563 1 1 7 TRP HZ3 H 8.728 -6.979 -1.781 1.00 . A A . 7 TRP HZ3 1 1 9 5564 1 1 7 TRP N N 7.416 -2.636 3.263 1.00 . A A . 7 TRP N 1 1 9 5565 1 1 7 TRP NE1 N 10.666 -2.145 -1.592 1.00 . A A . 7 TRP NE1 1 1 9 5566 1 1 7 TRP O O 6.618 -4.039 0.837 1.00 . A A . 7 TRP O 1 1 9 5567 1 1 8 CYS C C 6.625 -2.181 -2.675 1.00 . A A . 8 CYS C 1 1 9 5568 1 1 8 CYS CA C 5.927 -2.555 -1.363 1.00 . A A . 8 CYS CA 1 1 9 5569 1 1 8 CYS CB C 4.569 -1.855 -1.305 1.00 . A A . 8 CYS CB 1 1 9 5570 1 1 8 CYS H H 7.141 -1.190 -0.215 1.00 . A A . 8 CYS H 1 1 9 5571 1 1 8 CYS HA H 5.781 -3.631 -1.314 1.00 . A A . 8 CYS HA 1 1 9 5572 1 1 8 CYS HB2 H 3.997 -2.109 -2.180 1.00 . A A . 8 CYS HB2 1 1 9 5573 1 1 8 CYS HB3 H 4.051 -2.182 -0.428 1.00 . A A . 8 CYS HB3 1 1 9 5574 1 1 8 CYS N N 6.770 -2.100 -0.213 1.00 . A A . 8 CYS N 1 1 9 5575 1 1 8 CYS O O 7.438 -1.280 -2.712 1.00 . A A . 8 CYS O 1 1 9 5576 1 1 8 CYS SG S 4.781 -0.060 -1.229 1.00 . A A . 8 CYS SG 1 1 9 5577 1 1 9 LYS C C 6.038 -1.514 -5.810 1.00 . A A . 9 LYS C 1 1 9 5578 1 1 9 LYS CA C 6.954 -2.477 -5.056 1.00 . A A . 9 LYS CA 1 1 9 5579 1 1 9 LYS CB C 7.198 -3.738 -5.909 1.00 . A A . 9 LYS CB 1 1 9 5580 1 1 9 LYS CD C 8.926 -4.241 -7.683 1.00 . A A . 9 LYS CD 1 1 9 5581 1 1 9 LYS CE C 10.331 -3.804 -8.101 1.00 . A A . 9 LYS CE 1 1 9 5582 1 1 9 LYS CG C 8.706 -3.890 -6.204 1.00 . A A . 9 LYS CG 1 1 9 5583 1 1 9 LYS H H 5.642 -3.556 -3.723 1.00 . A A . 9 LYS H 1 1 9 5584 1 1 9 LYS HA H 7.893 -1.981 -4.859 1.00 . A A . 9 LYS HA 1 1 9 5585 1 1 9 LYS HB2 H 6.849 -4.604 -5.366 1.00 . A A . 9 LYS HB2 1 1 9 5586 1 1 9 LYS HB3 H 6.653 -3.659 -6.837 1.00 . A A . 9 LYS HB3 1 1 9 5587 1 1 9 LYS HD2 H 8.825 -5.308 -7.819 1.00 . A A . 9 LYS HD2 1 1 9 5588 1 1 9 LYS HD3 H 8.199 -3.728 -8.294 1.00 . A A . 9 LYS HD3 1 1 9 5589 1 1 9 LYS HE2 H 10.483 -2.771 -7.826 1.00 . A A . 9 LYS HE2 1 1 9 5590 1 1 9 LYS HE3 H 11.065 -4.421 -7.602 1.00 . A A . 9 LYS HE3 1 1 9 5591 1 1 9 LYS HG2 H 9.219 -2.970 -5.976 1.00 . A A . 9 LYS HG2 1 1 9 5592 1 1 9 LYS HG3 H 9.111 -4.682 -5.590 1.00 . A A . 9 LYS HG3 1 1 9 5593 1 1 9 LYS HZ1 H 9.904 -3.226 -10.053 1.00 . A A . 9 LYS HZ1 1 1 9 5594 1 1 9 LYS HZ2 H 10.160 -4.891 -9.867 1.00 . A A . 9 LYS HZ2 1 1 9 5595 1 1 9 LYS HZ3 H 11.481 -3.822 -9.835 1.00 . A A . 9 LYS HZ3 1 1 9 5596 1 1 9 LYS N N 6.310 -2.841 -3.758 1.00 . A A . 9 LYS N 1 1 9 5597 1 1 9 LYS NZ N 10.480 -3.948 -9.575 1.00 . A A . 9 LYS NZ 1 1 9 5598 1 1 9 LYS O O 6.472 -0.533 -6.379 1.00 . A A . 9 LYS O 1 1 9 5599 1 1 10 GLU C C 2.408 -1.126 -5.903 1.00 . A A . 10 GLU C 1 1 9 5600 1 1 10 GLU CA C 3.796 -0.903 -6.500 1.00 . A A . 10 GLU CA 1 1 9 5601 1 1 10 GLU CB C 3.762 -1.216 -8.001 1.00 . A A . 10 GLU CB 1 1 9 5602 1 1 10 GLU CD C 3.222 -3.082 -9.582 1.00 . A A . 10 GLU CD 1 1 9 5603 1 1 10 GLU CG C 3.809 -2.729 -8.214 1.00 . A A . 10 GLU CG 1 1 9 5604 1 1 10 GLU H H 4.444 -2.579 -5.328 1.00 . A A . 10 GLU H 1 1 9 5605 1 1 10 GLU HA H 4.086 0.128 -6.355 1.00 . A A . 10 GLU HA 1 1 9 5606 1 1 10 GLU HB2 H 2.853 -0.817 -8.430 1.00 . A A . 10 GLU HB2 1 1 9 5607 1 1 10 GLU HB3 H 4.613 -0.758 -8.483 1.00 . A A . 10 GLU HB3 1 1 9 5608 1 1 10 GLU HG2 H 4.835 -3.063 -8.166 1.00 . A A . 10 GLU HG2 1 1 9 5609 1 1 10 GLU HG3 H 3.234 -3.218 -7.446 1.00 . A A . 10 GLU HG3 1 1 9 5610 1 1 10 GLU N N 4.765 -1.789 -5.805 1.00 . A A . 10 GLU N 1 1 9 5611 1 1 10 GLU O O 2.250 -1.778 -4.893 1.00 . A A . 10 GLU O 1 1 9 5612 1 1 10 GLU OE1 O 3.571 -2.422 -10.546 1.00 . A A . 10 GLU OE1 1 1 9 5613 1 1 10 GLU OE2 O 2.428 -4.008 -9.640 1.00 . A A . 10 GLU OE2 1 1 9 5614 1 1 11 LYS C C -0.416 -2.203 -5.986 1.00 . A A . 11 LYS C 1 1 9 5615 1 1 11 LYS CA C 0.020 -0.731 -6.007 1.00 . A A . 11 LYS CA 1 1 9 5616 1 1 11 LYS CB C -0.920 0.069 -6.915 1.00 . A A . 11 LYS CB 1 1 9 5617 1 1 11 LYS CD C -3.036 1.167 -6.114 1.00 . A A . 11 LYS CD 1 1 9 5618 1 1 11 LYS CE C -4.545 0.972 -5.967 1.00 . A A . 11 LYS CE 1 1 9 5619 1 1 11 LYS CG C -2.388 -0.160 -6.514 1.00 . A A . 11 LYS CG 1 1 9 5620 1 1 11 LYS H H 1.573 -0.053 -7.332 1.00 . A A . 11 LYS H 1 1 9 5621 1 1 11 LYS HA H -0.036 -0.330 -5.005 1.00 . A A . 11 LYS HA 1 1 9 5622 1 1 11 LYS HB2 H -0.679 1.119 -6.833 1.00 . A A . 11 LYS HB2 1 1 9 5623 1 1 11 LYS HB3 H -0.775 -0.249 -7.938 1.00 . A A . 11 LYS HB3 1 1 9 5624 1 1 11 LYS HD2 H -2.624 1.494 -5.170 1.00 . A A . 11 LYS HD2 1 1 9 5625 1 1 11 LYS HD3 H -2.841 1.912 -6.871 1.00 . A A . 11 LYS HD3 1 1 9 5626 1 1 11 LYS HE2 H -4.924 0.432 -6.823 1.00 . A A . 11 LYS HE2 1 1 9 5627 1 1 11 LYS HE3 H -4.753 0.412 -5.067 1.00 . A A . 11 LYS HE3 1 1 9 5628 1 1 11 LYS HG2 H -2.926 -0.581 -7.352 1.00 . A A . 11 LYS HG2 1 1 9 5629 1 1 11 LYS HG3 H -2.438 -0.843 -5.680 1.00 . A A . 11 LYS HG3 1 1 9 5630 1 1 11 LYS HZ1 H -5.930 2.290 -5.142 1.00 . A A . 11 LYS HZ1 1 1 9 5631 1 1 11 LYS HZ2 H -5.659 2.516 -6.801 1.00 . A A . 11 LYS HZ2 1 1 9 5632 1 1 11 LYS HZ3 H -4.496 3.031 -5.675 1.00 . A A . 11 LYS HZ3 1 1 9 5633 1 1 11 LYS N N 1.409 -0.578 -6.521 1.00 . A A . 11 LYS N 1 1 9 5634 1 1 11 LYS NZ N -5.209 2.303 -5.890 1.00 . A A . 11 LYS NZ 1 1 9 5635 1 1 11 LYS O O -1.051 -2.651 -5.053 1.00 . A A . 11 LYS O 1 1 9 5636 1 1 12 LYS C C 0.402 -5.313 -6.339 1.00 . A A . 12 LYS C 1 1 9 5637 1 1 12 LYS CA C -0.584 -4.374 -7.048 1.00 . A A . 12 LYS CA 1 1 9 5638 1 1 12 LYS CB C -0.765 -4.813 -8.505 1.00 . A A . 12 LYS CB 1 1 9 5639 1 1 12 LYS CD C -2.131 -6.245 -10.038 1.00 . A A . 12 LYS CD 1 1 9 5640 1 1 12 LYS CE C -3.176 -7.363 -10.105 1.00 . A A . 12 LYS CE 1 1 9 5641 1 1 12 LYS CG C -1.820 -5.922 -8.576 1.00 . A A . 12 LYS CG 1 1 9 5642 1 1 12 LYS H H 0.358 -2.570 -7.778 1.00 . A A . 12 LYS H 1 1 9 5643 1 1 12 LYS HA H -1.539 -4.440 -6.547 1.00 . A A . 12 LYS HA 1 1 9 5644 1 1 12 LYS HB2 H -1.089 -3.968 -9.096 1.00 . A A . 12 LYS HB2 1 1 9 5645 1 1 12 LYS HB3 H 0.173 -5.183 -8.891 1.00 . A A . 12 LYS HB3 1 1 9 5646 1 1 12 LYS HD2 H -2.514 -5.362 -10.528 1.00 . A A . 12 LYS HD2 1 1 9 5647 1 1 12 LYS HD3 H -1.229 -6.570 -10.534 1.00 . A A . 12 LYS HD3 1 1 9 5648 1 1 12 LYS HE2 H -3.612 -7.386 -11.093 1.00 . A A . 12 LYS HE2 1 1 9 5649 1 1 12 LYS HE3 H -2.703 -8.312 -9.897 1.00 . A A . 12 LYS HE3 1 1 9 5650 1 1 12 LYS HG2 H -1.443 -6.806 -8.082 1.00 . A A . 12 LYS HG2 1 1 9 5651 1 1 12 LYS HG3 H -2.722 -5.591 -8.084 1.00 . A A . 12 LYS HG3 1 1 9 5652 1 1 12 LYS HZ1 H -4.359 -6.086 -8.957 1.00 . A A . 12 LYS HZ1 1 1 9 5653 1 1 12 LYS HZ2 H -3.989 -7.556 -8.196 1.00 . A A . 12 LYS HZ2 1 1 9 5654 1 1 12 LYS HZ3 H -5.146 -7.512 -9.439 1.00 . A A . 12 LYS HZ3 1 1 9 5655 1 1 12 LYS N N -0.128 -2.950 -7.014 1.00 . A A . 12 LYS N 1 1 9 5656 1 1 12 LYS NZ N -4.249 -7.110 -9.098 1.00 . A A . 12 LYS NZ 1 1 9 5657 1 1 12 LYS O O 0.051 -6.417 -5.974 1.00 . A A . 12 LYS O 1 1 9 5658 1 1 13 ASP C C 2.300 -5.912 -3.983 1.00 . A A . 13 ASP C 1 1 9 5659 1 1 13 ASP CA C 2.597 -5.807 -5.481 1.00 . A A . 13 ASP CA 1 1 9 5660 1 1 13 ASP CB C 4.005 -5.269 -5.701 1.00 . A A . 13 ASP CB 1 1 9 5661 1 1 13 ASP CG C 4.593 -5.861 -6.983 1.00 . A A . 13 ASP CG 1 1 9 5662 1 1 13 ASP H H 1.916 -4.030 -6.449 1.00 . A A . 13 ASP H 1 1 9 5663 1 1 13 ASP HA H 2.522 -6.791 -5.918 1.00 . A A . 13 ASP HA 1 1 9 5664 1 1 13 ASP HB2 H 3.965 -4.198 -5.784 1.00 . A A . 13 ASP HB2 1 1 9 5665 1 1 13 ASP HB3 H 4.619 -5.536 -4.870 1.00 . A A . 13 ASP HB3 1 1 9 5666 1 1 13 ASP N N 1.627 -4.911 -6.147 1.00 . A A . 13 ASP N 1 1 9 5667 1 1 13 ASP O O 2.984 -6.609 -3.273 1.00 . A A . 13 ASP O 1 1 9 5668 1 1 13 ASP OD1 O 5.209 -6.912 -6.897 1.00 . A A . 13 ASP OD1 1 1 9 5669 1 1 13 ASP OD2 O 4.401 -5.270 -8.030 1.00 . A A . 13 ASP OD2 1 1 9 5670 1 1 14 CYS C C 0.010 -6.473 -1.805 1.00 . A A . 14 CYS C 1 1 9 5671 1 1 14 CYS CA C 0.999 -5.336 -2.037 1.00 . A A . 14 CYS CA 1 1 9 5672 1 1 14 CYS CB C 0.391 -4.024 -1.565 1.00 . A A . 14 CYS CB 1 1 9 5673 1 1 14 CYS H H 0.742 -4.670 -4.046 1.00 . A A . 14 CYS H 1 1 9 5674 1 1 14 CYS HA H 1.908 -5.529 -1.490 1.00 . A A . 14 CYS HA 1 1 9 5675 1 1 14 CYS HB2 H -0.284 -3.646 -2.321 1.00 . A A . 14 CYS HB2 1 1 9 5676 1 1 14 CYS HB3 H -0.147 -4.186 -0.662 1.00 . A A . 14 CYS HB3 1 1 9 5677 1 1 14 CYS N N 1.297 -5.237 -3.483 1.00 . A A . 14 CYS N 1 1 9 5678 1 1 14 CYS O O -0.865 -6.726 -2.609 1.00 . A A . 14 CYS O 1 1 9 5679 1 1 14 CYS SG S 1.712 -2.827 -1.287 1.00 . A A . 14 CYS SG 1 1 9 5680 1 1 15 CYS C C -2.208 -7.800 -0.488 1.00 . A A . 15 CYS C 1 1 9 5681 1 1 15 CYS CA C -0.772 -8.297 -0.440 1.00 . A A . 15 CYS CA 1 1 9 5682 1 1 15 CYS CB C -0.445 -8.897 0.932 1.00 . A A . 15 CYS CB 1 1 9 5683 1 1 15 CYS H H 0.868 -6.953 -0.081 1.00 . A A . 15 CYS H 1 1 9 5684 1 1 15 CYS HA H -0.645 -9.050 -1.200 1.00 . A A . 15 CYS HA 1 1 9 5685 1 1 15 CYS HB2 H 0.329 -8.311 1.405 1.00 . A A . 15 CYS HB2 1 1 9 5686 1 1 15 CYS HB3 H -1.327 -8.891 1.552 1.00 . A A . 15 CYS HB3 1 1 9 5687 1 1 15 CYS N N 0.151 -7.170 -0.715 1.00 . A A . 15 CYS N 1 1 9 5688 1 1 15 CYS O O -2.582 -6.860 0.186 1.00 . A A . 15 CYS O 1 1 9 5689 1 1 15 CYS SG S 0.134 -10.603 0.719 1.00 . A A . 15 CYS SG 1 1 9 5690 1 1 16 CYS C C -4.934 -7.397 -0.139 1.00 . A A . 16 CYS C 1 1 9 5691 1 1 16 CYS CA C -4.438 -8.031 -1.443 1.00 . A A . 16 CYS CA 1 1 9 5692 1 1 16 CYS CB C -5.273 -9.276 -1.768 1.00 . A A . 16 CYS CB 1 1 9 5693 1 1 16 CYS H H -2.654 -9.181 -1.836 1.00 . A A . 16 CYS H 1 1 9 5694 1 1 16 CYS HA H -4.529 -7.316 -2.247 1.00 . A A . 16 CYS HA 1 1 9 5695 1 1 16 CYS HB2 H -5.363 -9.384 -2.837 1.00 . A A . 16 CYS HB2 1 1 9 5696 1 1 16 CYS HB3 H -4.781 -10.147 -1.363 1.00 . A A . 16 CYS HB3 1 1 9 5697 1 1 16 CYS N N -3.006 -8.432 -1.303 1.00 . A A . 16 CYS N 1 1 9 5698 1 1 16 CYS O O -4.757 -7.940 0.933 1.00 . A A . 16 CYS O 1 1 9 5699 1 1 16 CYS SG S -6.927 -9.127 -1.038 1.00 . A A . 16 CYS SG 1 1 9 5700 1 1 17 GLY C C -5.149 -4.428 1.408 1.00 . A A . 17 GLY C 1 1 9 5701 1 1 17 GLY CA C -6.069 -5.578 1.006 1.00 . A A . 17 GLY CA 1 1 9 5702 1 1 17 GLY H H -5.688 -5.831 -1.101 1.00 . A A . 17 GLY H 1 1 9 5703 1 1 17 GLY HA2 H -7.054 -5.188 0.814 1.00 . A A . 17 GLY HA2 1 1 9 5704 1 1 17 GLY HA3 H -6.117 -6.292 1.814 1.00 . A A . 17 GLY HA3 1 1 9 5705 1 1 17 GLY N N -5.555 -6.249 -0.225 1.00 . A A . 17 GLY N 1 1 9 5706 1 1 17 GLY O O -5.505 -3.605 2.228 1.00 . A A . 17 GLY O 1 1 9 5707 1 1 18 TYR C C -2.577 -2.489 -0.029 1.00 . A A . 18 TYR C 1 1 9 5708 1 1 18 TYR CA C -3.043 -3.246 1.219 1.00 . A A . 18 TYR CA 1 1 9 5709 1 1 18 TYR CB C -1.832 -3.814 1.952 1.00 . A A . 18 TYR CB 1 1 9 5710 1 1 18 TYR CD1 C -2.999 -3.870 4.182 1.00 . A A . 18 TYR CD1 1 1 9 5711 1 1 18 TYR CD2 C -1.957 -5.899 3.365 1.00 . A A . 18 TYR CD2 1 1 9 5712 1 1 18 TYR CE1 C -3.390 -4.536 5.344 1.00 . A A . 18 TYR CE1 1 1 9 5713 1 1 18 TYR CE2 C -2.354 -6.570 4.527 1.00 . A A . 18 TYR CE2 1 1 9 5714 1 1 18 TYR CG C -2.282 -4.548 3.192 1.00 . A A . 18 TYR CG 1 1 9 5715 1 1 18 TYR CZ C -3.071 -5.888 5.518 1.00 . A A . 18 TYR CZ 1 1 9 5716 1 1 18 TYR H H -3.682 -5.061 0.152 1.00 . A A . 18 TYR H 1 1 9 5717 1 1 18 TYR HA H -3.555 -2.554 1.869 1.00 . A A . 18 TYR HA 1 1 9 5718 1 1 18 TYR HB2 H -1.301 -4.492 1.302 1.00 . A A . 18 TYR HB2 1 1 9 5719 1 1 18 TYR HB3 H -1.182 -3.005 2.236 1.00 . A A . 18 TYR HB3 1 1 9 5720 1 1 18 TYR HD1 H -3.255 -2.831 4.045 1.00 . A A . 18 TYR HD1 1 1 9 5721 1 1 18 TYR HD2 H -1.406 -6.424 2.600 1.00 . A A . 18 TYR HD2 1 1 9 5722 1 1 18 TYR HE1 H -3.942 -4.008 6.107 1.00 . A A . 18 TYR HE1 1 1 9 5723 1 1 18 TYR HE2 H -2.105 -7.610 4.661 1.00 . A A . 18 TYR HE2 1 1 9 5724 1 1 18 TYR HH H -2.661 -6.820 7.133 1.00 . A A . 18 TYR HH 1 1 9 5725 1 1 18 TYR N N -3.970 -4.356 0.847 1.00 . A A . 18 TYR N 1 1 9 5726 1 1 18 TYR O O -2.417 -3.050 -1.095 1.00 . A A . 18 TYR O 1 1 9 5727 1 1 18 TYR OH O -3.456 -6.547 6.667 1.00 . A A . 18 TYR OH 1 1 9 5728 1 1 19 ASN C C -0.385 -0.201 -0.964 1.00 . A A . 19 ASN C 1 1 9 5729 1 1 19 ASN CA C -1.904 -0.368 -1.034 1.00 . A A . 19 ASN CA 1 1 9 5730 1 1 19 ASN CB C -2.578 1.009 -0.934 1.00 . A A . 19 ASN CB 1 1 9 5731 1 1 19 ASN CG C -2.961 1.507 -2.329 1.00 . A A . 19 ASN CG 1 1 9 5732 1 1 19 ASN H H -2.500 -0.793 0.988 1.00 . A A . 19 ASN H 1 1 9 5733 1 1 19 ASN HA H -2.170 -0.839 -1.967 1.00 . A A . 19 ASN HA 1 1 9 5734 1 1 19 ASN HB2 H -3.468 0.926 -0.327 1.00 . A A . 19 ASN HB2 1 1 9 5735 1 1 19 ASN HB3 H -1.898 1.714 -0.477 1.00 . A A . 19 ASN HB3 1 1 9 5736 1 1 19 ASN HD21 H -1.909 3.183 -2.176 1.00 . A A . 19 ASN HD21 1 1 9 5737 1 1 19 ASN HD22 H -2.740 2.978 -3.642 1.00 . A A . 19 ASN HD22 1 1 9 5738 1 1 19 ASN N N -2.360 -1.209 0.114 1.00 . A A . 19 ASN N 1 1 9 5739 1 1 19 ASN ND2 N -2.499 2.650 -2.751 1.00 . A A . 19 ASN ND2 1 1 9 5740 1 1 19 ASN O O 0.280 -0.890 -0.229 1.00 . A A . 19 ASN O 1 1 9 5741 1 1 19 ASN OD1 O -3.690 0.846 -3.040 1.00 . A A . 19 ASN OD1 1 1 9 5742 1 1 20 CYS C C 1.924 2.439 -1.734 1.00 . A A . 20 CYS C 1 1 9 5743 1 1 20 CYS CA C 1.645 0.934 -1.708 1.00 . A A . 20 CYS CA 1 1 9 5744 1 1 20 CYS CB C 2.276 0.268 -2.932 1.00 . A A . 20 CYS CB 1 1 9 5745 1 1 20 CYS H H -0.405 1.251 -2.312 1.00 . A A . 20 CYS H 1 1 9 5746 1 1 20 CYS HA H 2.067 0.508 -0.810 1.00 . A A . 20 CYS HA 1 1 9 5747 1 1 20 CYS HB2 H 2.122 -0.797 -2.876 1.00 . A A . 20 CYS HB2 1 1 9 5748 1 1 20 CYS HB3 H 1.810 0.651 -3.828 1.00 . A A . 20 CYS HB3 1 1 9 5749 1 1 20 CYS N N 0.163 0.711 -1.725 1.00 . A A . 20 CYS N 1 1 9 5750 1 1 20 CYS O O 1.371 3.167 -2.535 1.00 . A A . 20 CYS O 1 1 9 5751 1 1 20 CYS SG S 4.053 0.617 -2.991 1.00 . A A . 20 CYS SG 1 1 9 5752 1 1 21 VAL C C 4.555 4.603 -0.559 1.00 . A A . 21 VAL C 1 1 9 5753 1 1 21 VAL CA C 3.061 4.376 -0.808 1.00 . A A . 21 VAL CA 1 1 9 5754 1 1 21 VAL CB C 2.246 5.002 0.324 1.00 . A A . 21 VAL CB 1 1 9 5755 1 1 21 VAL CG1 C 2.220 6.522 0.164 1.00 . A A . 21 VAL CG1 1 1 9 5756 1 1 21 VAL CG2 C 0.819 4.456 0.268 1.00 . A A . 21 VAL CG2 1 1 9 5757 1 1 21 VAL H H 3.185 2.310 -0.202 1.00 . A A . 21 VAL H 1 1 9 5758 1 1 21 VAL HA H 2.780 4.833 -1.746 1.00 . A A . 21 VAL HA 1 1 9 5759 1 1 21 VAL HB H 2.695 4.746 1.272 1.00 . A A . 21 VAL HB 1 1 9 5760 1 1 21 VAL HG11 H 1.859 6.973 1.077 1.00 . A A . 21 VAL HG11 1 1 9 5761 1 1 21 VAL HG12 H 1.562 6.786 -0.652 1.00 . A A . 21 VAL HG12 1 1 9 5762 1 1 21 VAL HG13 H 3.216 6.881 -0.046 1.00 . A A . 21 VAL HG13 1 1 9 5763 1 1 21 VAL HG21 H 0.824 3.408 0.524 1.00 . A A . 21 VAL HG21 1 1 9 5764 1 1 21 VAL HG22 H 0.424 4.580 -0.730 1.00 . A A . 21 VAL HG22 1 1 9 5765 1 1 21 VAL HG23 H 0.199 4.995 0.969 1.00 . A A . 21 VAL HG23 1 1 9 5766 1 1 21 VAL N N 2.763 2.913 -0.849 1.00 . A A . 21 VAL N 1 1 9 5767 1 1 21 VAL O O 5.235 3.768 0.030 1.00 . A A . 21 VAL O 1 1 9 5768 1 1 22 TYR C C 6.771 6.398 0.692 1.00 . A A . 22 TYR C 1 1 9 5769 1 1 22 TYR CA C 6.520 6.026 -0.777 1.00 . A A . 22 TYR CA 1 1 9 5770 1 1 22 TYR CB C 6.912 7.193 -1.684 1.00 . A A . 22 TYR CB 1 1 9 5771 1 1 22 TYR CD1 C 9.118 6.287 -2.503 1.00 . A A . 22 TYR CD1 1 1 9 5772 1 1 22 TYR CD2 C 9.107 8.346 -1.223 1.00 . A A . 22 TYR CD2 1 1 9 5773 1 1 22 TYR CE1 C 10.510 6.370 -2.625 1.00 . A A . 22 TYR CE1 1 1 9 5774 1 1 22 TYR CE2 C 10.499 8.428 -1.343 1.00 . A A . 22 TYR CE2 1 1 9 5775 1 1 22 TYR CG C 8.416 7.276 -1.801 1.00 . A A . 22 TYR CG 1 1 9 5776 1 1 22 TYR CZ C 11.200 7.440 -2.043 1.00 . A A . 22 TYR CZ 1 1 9 5777 1 1 22 TYR H H 4.469 6.422 -1.452 1.00 . A A . 22 TYR H 1 1 9 5778 1 1 22 TYR HA H 7.105 5.157 -1.036 1.00 . A A . 22 TYR HA 1 1 9 5779 1 1 22 TYR HB2 H 6.486 7.043 -2.666 1.00 . A A . 22 TYR HB2 1 1 9 5780 1 1 22 TYR HB3 H 6.533 8.113 -1.267 1.00 . A A . 22 TYR HB3 1 1 9 5781 1 1 22 TYR HD1 H 8.585 5.461 -2.950 1.00 . A A . 22 TYR HD1 1 1 9 5782 1 1 22 TYR HD2 H 8.567 9.109 -0.681 1.00 . A A . 22 TYR HD2 1 1 9 5783 1 1 22 TYR HE1 H 11.052 5.608 -3.167 1.00 . A A . 22 TYR HE1 1 1 9 5784 1 1 22 TYR HE2 H 11.032 9.254 -0.896 1.00 . A A . 22 TYR HE2 1 1 9 5785 1 1 22 TYR HH H 12.918 7.910 -1.358 1.00 . A A . 22 TYR HH 1 1 9 5786 1 1 22 TYR N N 5.069 5.731 -0.979 1.00 . A A . 22 TYR N 1 1 9 5787 1 1 22 TYR O O 6.130 7.276 1.236 1.00 . A A . 22 TYR O 1 1 9 5788 1 1 22 TYR OH O 12.573 7.521 -2.164 1.00 . A A . 22 TYR OH 1 1 9 5789 1 1 23 ALA C C 9.303 6.812 2.912 1.00 . A A . 23 ALA C 1 1 9 5790 1 1 23 ALA CA C 7.986 6.032 2.779 1.00 . A A . 23 ALA CA 1 1 9 5791 1 1 23 ALA CB C 8.096 4.717 3.554 1.00 . A A . 23 ALA CB 1 1 9 5792 1 1 23 ALA H H 8.193 5.021 0.882 1.00 . A A . 23 ALA H 1 1 9 5793 1 1 23 ALA HA H 7.180 6.621 3.192 1.00 . A A . 23 ALA HA 1 1 9 5794 1 1 23 ALA HB1 H 7.379 4.009 3.164 1.00 . A A . 23 ALA HB1 1 1 9 5795 1 1 23 ALA HB2 H 7.891 4.898 4.599 1.00 . A A . 23 ALA HB2 1 1 9 5796 1 1 23 ALA HB3 H 9.092 4.314 3.447 1.00 . A A . 23 ALA HB3 1 1 9 5797 1 1 23 ALA N N 7.696 5.729 1.339 1.00 . A A . 23 ALA N 1 1 9 5798 1 1 23 ALA O O 10.376 6.280 2.710 1.00 . A A . 23 ALA O 1 1 9 5799 1 1 24 TRP C C 11.412 8.277 4.458 1.00 . A A . 24 TRP C 1 1 9 5800 1 1 24 TRP CA C 10.458 8.897 3.429 1.00 . A A . 24 TRP CA 1 1 9 5801 1 1 24 TRP CB C 10.068 10.302 3.902 1.00 . A A . 24 TRP CB 1 1 9 5802 1 1 24 TRP CD1 C 9.761 9.692 6.352 1.00 . A A . 24 TRP CD1 1 1 9 5803 1 1 24 TRP CD2 C 7.940 10.669 5.458 1.00 . A A . 24 TRP CD2 1 1 9 5804 1 1 24 TRP CE2 C 7.630 10.387 6.809 1.00 . A A . 24 TRP CE2 1 1 9 5805 1 1 24 TRP CE3 C 6.959 11.289 4.667 1.00 . A A . 24 TRP CE3 1 1 9 5806 1 1 24 TRP CG C 9.299 10.216 5.188 1.00 . A A . 24 TRP CG 1 1 9 5807 1 1 24 TRP CH2 C 5.422 11.325 6.556 1.00 . A A . 24 TRP CH2 1 1 9 5808 1 1 24 TRP CZ2 C 6.387 10.709 7.356 1.00 . A A . 24 TRP CZ2 1 1 9 5809 1 1 24 TRP CZ3 C 5.707 11.616 5.214 1.00 . A A . 24 TRP CZ3 1 1 9 5810 1 1 24 TRP H H 8.346 8.469 3.428 1.00 . A A . 24 TRP H 1 1 9 5811 1 1 24 TRP HA H 10.964 8.973 2.478 1.00 . A A . 24 TRP HA 1 1 9 5812 1 1 24 TRP HB2 H 10.962 10.886 4.060 1.00 . A A . 24 TRP HB2 1 1 9 5813 1 1 24 TRP HB3 H 9.455 10.776 3.149 1.00 . A A . 24 TRP HB3 1 1 9 5814 1 1 24 TRP HD1 H 10.738 9.267 6.510 1.00 . A A . 24 TRP HD1 1 1 9 5815 1 1 24 TRP HE1 H 8.847 9.485 8.238 1.00 . A A . 24 TRP HE1 1 1 9 5816 1 1 24 TRP HE3 H 7.168 11.517 3.633 1.00 . A A . 24 TRP HE3 1 1 9 5817 1 1 24 TRP HH2 H 4.457 11.580 6.971 1.00 . A A . 24 TRP HH2 1 1 9 5818 1 1 24 TRP HZ2 H 6.173 10.483 8.391 1.00 . A A . 24 TRP HZ2 1 1 9 5819 1 1 24 TRP HZ3 H 4.960 12.092 4.598 1.00 . A A . 24 TRP HZ3 1 1 9 5820 1 1 24 TRP N N 9.224 8.066 3.264 1.00 . A A . 24 TRP N 1 1 9 5821 1 1 24 TRP NE1 N 8.769 9.793 7.311 1.00 . A A . 24 TRP NE1 1 1 9 5822 1 1 24 TRP O O 12.518 8.746 4.641 1.00 . A A . 24 TRP O 1 1 9 5823 1 1 25 TYR C C 13.176 6.173 5.596 1.00 . A A . 25 TYR C 1 1 9 5824 1 1 25 TYR CA C 11.876 6.691 6.227 1.00 . A A . 25 TYR CA 1 1 9 5825 1 1 25 TYR CB C 11.134 5.562 6.952 1.00 . A A . 25 TYR CB 1 1 9 5826 1 1 25 TYR CD1 C 11.771 6.294 9.278 1.00 . A A . 25 TYR CD1 1 1 9 5827 1 1 25 TYR CD2 C 12.409 4.070 8.552 1.00 . A A . 25 TYR CD2 1 1 9 5828 1 1 25 TYR CE1 C 12.370 6.062 10.522 1.00 . A A . 25 TYR CE1 1 1 9 5829 1 1 25 TYR CE2 C 13.008 3.839 9.797 1.00 . A A . 25 TYR CE2 1 1 9 5830 1 1 25 TYR CG C 11.789 5.298 8.292 1.00 . A A . 25 TYR CG 1 1 9 5831 1 1 25 TYR CZ C 12.989 4.835 10.780 1.00 . A A . 25 TYR CZ 1 1 9 5832 1 1 25 TYR H H 10.047 6.881 5.017 1.00 . A A . 25 TYR H 1 1 9 5833 1 1 25 TYR HA H 12.121 7.464 6.939 1.00 . A A . 25 TYR HA 1 1 9 5834 1 1 25 TYR HB2 H 10.105 5.852 7.108 1.00 . A A . 25 TYR HB2 1 1 9 5835 1 1 25 TYR HB3 H 11.165 4.667 6.354 1.00 . A A . 25 TYR HB3 1 1 9 5836 1 1 25 TYR HD1 H 11.292 7.243 9.079 1.00 . A A . 25 TYR HD1 1 1 9 5837 1 1 25 TYR HD2 H 12.423 3.302 7.798 1.00 . A A . 25 TYR HD2 1 1 9 5838 1 1 25 TYR HE1 H 12.355 6.831 11.280 1.00 . A A . 25 TYR HE1 1 1 9 5839 1 1 25 TYR HE2 H 13.486 2.892 9.997 1.00 . A A . 25 TYR HE2 1 1 9 5840 1 1 25 TYR HH H 13.354 3.715 12.282 1.00 . A A . 25 TYR HH 1 1 9 5841 1 1 25 TYR N N 10.986 7.271 5.175 1.00 . A A . 25 TYR N 1 1 9 5842 1 1 25 TYR O O 14.257 6.483 6.059 1.00 . A A . 25 TYR O 1 1 9 5843 1 1 25 TYR OH O 13.579 4.605 12.007 1.00 . A A . 25 TYR OH 1 1 9 5844 1 1 26 ASN C C 14.136 4.847 2.366 1.00 . A A . 26 ASN C 1 1 9 5845 1 1 26 ASN CA C 14.358 4.934 3.875 1.00 . A A . 26 ASN CA 1 1 9 5846 1 1 26 ASN CB C 14.771 3.560 4.424 1.00 . A A . 26 ASN CB 1 1 9 5847 1 1 26 ASN CG C 13.536 2.712 4.713 1.00 . A A . 26 ASN CG 1 1 9 5848 1 1 26 ASN H H 12.228 5.194 4.147 1.00 . A A . 26 ASN H 1 1 9 5849 1 1 26 ASN HA H 15.151 5.644 4.067 1.00 . A A . 26 ASN HA 1 1 9 5850 1 1 26 ASN HB2 H 15.391 3.054 3.699 1.00 . A A . 26 ASN HB2 1 1 9 5851 1 1 26 ASN HB3 H 15.330 3.695 5.338 1.00 . A A . 26 ASN HB3 1 1 9 5852 1 1 26 ASN HD21 H 12.760 4.031 5.967 1.00 . A A . 26 ASN HD21 1 1 9 5853 1 1 26 ASN HD22 H 11.842 2.622 5.734 1.00 . A A . 26 ASN HD22 1 1 9 5854 1 1 26 ASN N N 13.101 5.420 4.530 1.00 . A A . 26 ASN N 1 1 9 5855 1 1 26 ASN ND2 N 12.637 3.158 5.538 1.00 . A A . 26 ASN ND2 1 1 9 5856 1 1 26 ASN O O 14.394 3.835 1.745 1.00 . A A . 26 ASN O 1 1 9 5857 1 1 26 ASN OD1 O 13.394 1.625 4.190 1.00 . A A . 26 ASN OD1 1 1 9 5858 1 1 27 GLN C C 12.811 4.571 -0.110 1.00 . A A . 27 GLN C 1 1 9 5859 1 1 27 GLN CA C 13.418 5.910 0.301 1.00 . A A . 27 GLN CA 1 1 9 5860 1 1 27 GLN CB C 14.744 6.124 -0.431 1.00 . A A . 27 GLN CB 1 1 9 5861 1 1 27 GLN CD C 14.699 8.425 0.545 1.00 . A A . 27 GLN CD 1 1 9 5862 1 1 27 GLN CG C 15.563 7.185 0.309 1.00 . A A . 27 GLN CG 1 1 9 5863 1 1 27 GLN H H 13.463 6.712 2.299 1.00 . A A . 27 GLN H 1 1 9 5864 1 1 27 GLN HA H 12.735 6.707 0.049 1.00 . A A . 27 GLN HA 1 1 9 5865 1 1 27 GLN HB2 H 15.296 5.195 -0.457 1.00 . A A . 27 GLN HB2 1 1 9 5866 1 1 27 GLN HB3 H 14.550 6.459 -1.437 1.00 . A A . 27 GLN HB3 1 1 9 5867 1 1 27 GLN HE21 H 14.371 7.998 2.456 1.00 . A A . 27 GLN HE21 1 1 9 5868 1 1 27 GLN HE22 H 13.639 9.423 1.895 1.00 . A A . 27 GLN HE22 1 1 9 5869 1 1 27 GLN HG2 H 15.892 6.788 1.258 1.00 . A A . 27 GLN HG2 1 1 9 5870 1 1 27 GLN HG3 H 16.421 7.456 -0.286 1.00 . A A . 27 GLN HG3 1 1 9 5871 1 1 27 GLN N N 13.661 5.911 1.773 1.00 . A A . 27 GLN N 1 1 9 5872 1 1 27 GLN NE2 N 14.195 8.634 1.730 1.00 . A A . 27 GLN NE2 1 1 9 5873 1 1 27 GLN O O 13.036 4.081 -1.199 1.00 . A A . 27 GLN O 1 1 9 5874 1 1 27 GLN OE1 O 14.474 9.205 -0.358 1.00 . A A . 27 GLN OE1 1 1 9 5875 1 1 28 GLN C C 9.892 2.828 0.512 1.00 . A A . 28 GLN C 1 1 9 5876 1 1 28 GLN CA C 11.412 2.668 0.454 1.00 . A A . 28 GLN CA 1 1 9 5877 1 1 28 GLN CB C 11.894 1.632 1.490 1.00 . A A . 28 GLN CB 1 1 9 5878 1 1 28 GLN CD C 11.212 -0.036 3.224 1.00 . A A . 28 GLN CD 1 1 9 5879 1 1 28 GLN CG C 10.715 1.074 2.297 1.00 . A A . 28 GLN CG 1 1 9 5880 1 1 28 GLN H H 11.888 4.400 1.634 1.00 . A A . 28 GLN H 1 1 9 5881 1 1 28 GLN HA H 11.701 2.347 -0.538 1.00 . A A . 28 GLN HA 1 1 9 5882 1 1 28 GLN HB2 H 12.391 0.820 0.979 1.00 . A A . 28 GLN HB2 1 1 9 5883 1 1 28 GLN HB3 H 12.591 2.107 2.161 1.00 . A A . 28 GLN HB3 1 1 9 5884 1 1 28 GLN HE21 H 9.900 0.383 4.654 1.00 . A A . 28 GLN HE21 1 1 9 5885 1 1 28 GLN HE22 H 10.948 -0.911 4.986 1.00 . A A . 28 GLN HE22 1 1 9 5886 1 1 28 GLN HG2 H 10.276 1.865 2.886 1.00 . A A . 28 GLN HG2 1 1 9 5887 1 1 28 GLN HG3 H 9.976 0.671 1.627 1.00 . A A . 28 GLN HG3 1 1 9 5888 1 1 28 GLN N N 12.046 3.979 0.762 1.00 . A A . 28 GLN N 1 1 9 5889 1 1 28 GLN NE2 N 10.640 -0.201 4.384 1.00 . A A . 28 GLN NE2 1 1 9 5890 1 1 28 GLN O O 9.373 3.638 1.251 1.00 . A A . 28 GLN O 1 1 9 5891 1 1 28 GLN OE1 O 12.125 -0.763 2.886 1.00 . A A . 28 GLN OE1 1 1 9 5892 1 1 29 SER C C 7.126 1.232 0.812 1.00 . A A . 29 SER C 1 1 9 5893 1 1 29 SER CA C 7.691 2.172 -0.252 1.00 . A A . 29 SER CA 1 1 9 5894 1 1 29 SER CB C 7.150 1.770 -1.617 1.00 . A A . 29 SER CB 1 1 9 5895 1 1 29 SER H H 9.616 1.417 -0.853 1.00 . A A . 29 SER H 1 1 9 5896 1 1 29 SER HA H 7.405 3.184 -0.029 1.00 . A A . 29 SER HA 1 1 9 5897 1 1 29 SER HB2 H 7.252 0.707 -1.743 1.00 . A A . 29 SER HB2 1 1 9 5898 1 1 29 SER HB3 H 6.110 2.038 -1.675 1.00 . A A . 29 SER HB3 1 1 9 5899 1 1 29 SER HG H 8.513 1.807 -3.005 1.00 . A A . 29 SER HG 1 1 9 5900 1 1 29 SER N N 9.177 2.063 -0.262 1.00 . A A . 29 SER N 1 1 9 5901 1 1 29 SER O O 7.785 0.310 1.224 1.00 . A A . 29 SER O 1 1 9 5902 1 1 29 SER OG O 7.889 2.435 -2.634 1.00 . A A . 29 SER OG 1 1 9 5903 1 1 30 SER C C 3.858 0.252 1.992 1.00 . A A . 30 SER C 1 1 9 5904 1 1 30 SER CA C 5.334 0.550 2.295 1.00 . A A . 30 SER CA 1 1 9 5905 1 1 30 SER CB C 5.446 1.218 3.668 1.00 . A A . 30 SER CB 1 1 9 5906 1 1 30 SER H H 5.388 2.183 0.920 1.00 . A A . 30 SER H 1 1 9 5907 1 1 30 SER HA H 5.885 -0.358 2.298 1.00 . A A . 30 SER HA 1 1 9 5908 1 1 30 SER HB2 H 6.435 1.623 3.796 1.00 . A A . 30 SER HB2 1 1 9 5909 1 1 30 SER HB3 H 4.720 2.020 3.736 1.00 . A A . 30 SER HB3 1 1 9 5910 1 1 30 SER HG H 4.260 0.052 4.680 1.00 . A A . 30 SER HG 1 1 9 5911 1 1 30 SER N N 5.911 1.447 1.260 1.00 . A A . 30 SER N 1 1 9 5912 1 1 30 SER O O 3.090 1.137 1.671 1.00 . A A . 30 SER O 1 1 9 5913 1 1 30 SER OG O 5.198 0.252 4.682 1.00 . A A . 30 SER OG 1 1 9 5914 1 1 31 CYS C C 1.136 -0.789 2.944 1.00 . A A . 31 CYS C 1 1 9 5915 1 1 31 CYS CA C 2.025 -1.342 1.824 1.00 . A A . 31 CYS CA 1 1 9 5916 1 1 31 CYS CB C 1.844 -2.867 1.752 1.00 . A A . 31 CYS CB 1 1 9 5917 1 1 31 CYS H H 4.085 -1.694 2.361 1.00 . A A . 31 CYS H 1 1 9 5918 1 1 31 CYS HA H 1.734 -0.903 0.889 1.00 . A A . 31 CYS HA 1 1 9 5919 1 1 31 CYS HB2 H 2.237 -3.318 2.650 1.00 . A A . 31 CYS HB2 1 1 9 5920 1 1 31 CYS HB3 H 0.796 -3.097 1.668 1.00 . A A . 31 CYS HB3 1 1 9 5921 1 1 31 CYS N N 3.454 -0.994 2.097 1.00 . A A . 31 CYS N 1 1 9 5922 1 1 31 CYS O O 1.433 -0.945 4.110 1.00 . A A . 31 CYS O 1 1 9 5923 1 1 31 CYS SG S 2.721 -3.540 0.318 1.00 . A A . 31 CYS SG 1 1 9 5924 1 1 32 GLU C C -2.316 0.390 3.199 1.00 . A A . 32 GLU C 1 1 9 5925 1 1 32 GLU CA C -0.858 0.378 3.680 1.00 . A A . 32 GLU CA 1 1 9 5926 1 1 32 GLU CB C -0.391 1.785 4.087 1.00 . A A . 32 GLU CB 1 1 9 5927 1 1 32 GLU CD C -0.815 4.226 3.823 1.00 . A A . 32 GLU CD 1 1 9 5928 1 1 32 GLU CG C -1.062 2.842 3.220 1.00 . A A . 32 GLU CG 1 1 9 5929 1 1 32 GLU H H -0.200 -0.046 1.666 1.00 . A A . 32 GLU H 1 1 9 5930 1 1 32 GLU HA H -0.799 -0.265 4.538 1.00 . A A . 32 GLU HA 1 1 9 5931 1 1 32 GLU HB2 H -0.643 1.962 5.123 1.00 . A A . 32 GLU HB2 1 1 9 5932 1 1 32 GLU HB3 H 0.680 1.852 3.965 1.00 . A A . 32 GLU HB3 1 1 9 5933 1 1 32 GLU HG2 H -0.656 2.803 2.220 1.00 . A A . 32 GLU HG2 1 1 9 5934 1 1 32 GLU HG3 H -2.118 2.648 3.189 1.00 . A A . 32 GLU HG3 1 1 9 5935 1 1 32 GLU N N 0.038 -0.157 2.610 1.00 . A A . 32 GLU N 1 1 9 5936 1 1 32 GLU O O -2.606 0.633 2.047 1.00 . A A . 32 GLU O 1 1 9 5937 1 1 32 GLU OE1 O -0.725 4.315 5.037 1.00 . A A . 32 GLU OE1 1 1 9 5938 1 1 32 GLU OE2 O -0.721 5.176 3.063 1.00 . A A . 32 GLU OE2 1 1 9 5939 1 1 33 ARG C C -5.097 1.450 3.109 1.00 . A A . 33 ARG C 1 1 9 5940 1 1 33 ARG CA C -4.680 0.107 3.729 1.00 . A A . 33 ARG CA 1 1 9 5941 1 1 33 ARG CB C -5.493 -0.154 5.004 1.00 . A A . 33 ARG CB 1 1 9 5942 1 1 33 ARG CD C -4.314 1.799 6.119 1.00 . A A . 33 ARG CD 1 1 9 5943 1 1 33 ARG CG C -5.674 1.148 5.809 1.00 . A A . 33 ARG CG 1 1 9 5944 1 1 33 ARG CZ C -2.338 1.339 7.439 1.00 . A A . 33 ARG CZ 1 1 9 5945 1 1 33 ARG H H -2.964 -0.064 5.015 1.00 . A A . 33 ARG H 1 1 9 5946 1 1 33 ARG HA H -4.863 -0.686 3.019 1.00 . A A . 33 ARG HA 1 1 9 5947 1 1 33 ARG HB2 H -6.463 -0.543 4.734 1.00 . A A . 33 ARG HB2 1 1 9 5948 1 1 33 ARG HB3 H -4.974 -0.879 5.614 1.00 . A A . 33 ARG HB3 1 1 9 5949 1 1 33 ARG HD2 H -3.776 1.972 5.204 1.00 . A A . 33 ARG HD2 1 1 9 5950 1 1 33 ARG HD3 H -4.477 2.743 6.613 1.00 . A A . 33 ARG HD3 1 1 9 5951 1 1 33 ARG HE H -3.814 0.019 7.230 1.00 . A A . 33 ARG HE 1 1 9 5952 1 1 33 ARG HG2 H -6.281 1.838 5.241 1.00 . A A . 33 ARG HG2 1 1 9 5953 1 1 33 ARG HG3 H -6.175 0.918 6.739 1.00 . A A . 33 ARG HG3 1 1 9 5954 1 1 33 ARG HH11 H -2.513 3.154 6.609 1.00 . A A . 33 ARG HH11 1 1 9 5955 1 1 33 ARG HH12 H -1.051 2.872 7.495 1.00 . A A . 33 ARG HH12 1 1 9 5956 1 1 33 ARG HH21 H -1.894 -0.365 8.390 1.00 . A A . 33 ARG HH21 1 1 9 5957 1 1 33 ARG HH22 H -0.700 0.886 8.500 1.00 . A A . 33 ARG HH22 1 1 9 5958 1 1 33 ARG N N -3.231 0.127 4.091 1.00 . A A . 33 ARG N 1 1 9 5959 1 1 33 ARG NE N -3.496 0.917 6.998 1.00 . A A . 33 ARG NE 1 1 9 5960 1 1 33 ARG NH1 N -1.937 2.549 7.159 1.00 . A A . 33 ARG NH1 1 1 9 5961 1 1 33 ARG NH2 N -1.586 0.559 8.167 1.00 . A A . 33 ARG NH2 1 1 9 5962 1 1 33 ARG O O -4.417 2.447 3.248 1.00 . A A . 33 ARG O 1 1 9 5963 1 1 34 LYS C C -8.183 2.759 1.605 1.00 . A A . 34 LYS C 1 1 9 5964 1 1 34 LYS CA C -6.664 2.772 1.841 1.00 . A A . 34 LYS CA 1 1 9 5965 1 1 34 LYS CB C -5.924 3.013 0.516 1.00 . A A . 34 LYS CB 1 1 9 5966 1 1 34 LYS CD C -4.316 4.535 -0.673 1.00 . A A . 34 LYS CD 1 1 9 5967 1 1 34 LYS CE C -5.252 5.519 -1.391 1.00 . A A . 34 LYS CE 1 1 9 5968 1 1 34 LYS CG C -4.911 4.153 0.689 1.00 . A A . 34 LYS CG 1 1 9 5969 1 1 34 LYS H H -6.763 0.699 2.343 1.00 . A A . 34 LYS H 1 1 9 5970 1 1 34 LYS HA H -6.431 3.557 2.529 1.00 . A A . 34 LYS HA 1 1 9 5971 1 1 34 LYS HB2 H -5.402 2.111 0.233 1.00 . A A . 34 LYS HB2 1 1 9 5972 1 1 34 LYS HB3 H -6.628 3.275 -0.256 1.00 . A A . 34 LYS HB3 1 1 9 5973 1 1 34 LYS HD2 H -3.353 5.002 -0.522 1.00 . A A . 34 LYS HD2 1 1 9 5974 1 1 34 LYS HD3 H -4.196 3.649 -1.277 1.00 . A A . 34 LYS HD3 1 1 9 5975 1 1 34 LYS HE2 H -6.274 5.329 -1.098 1.00 . A A . 34 LYS HE2 1 1 9 5976 1 1 34 LYS HE3 H -4.985 6.530 -1.122 1.00 . A A . 34 LYS HE3 1 1 9 5977 1 1 34 LYS HG2 H -5.409 5.012 1.118 1.00 . A A . 34 LYS HG2 1 1 9 5978 1 1 34 LYS HG3 H -4.118 3.832 1.349 1.00 . A A . 34 LYS HG3 1 1 9 5979 1 1 34 LYS HZ1 H -4.518 4.532 -3.072 1.00 . A A . 34 LYS HZ1 1 1 9 5980 1 1 34 LYS HZ2 H -4.695 6.205 -3.277 1.00 . A A . 34 LYS HZ2 1 1 9 5981 1 1 34 LYS HZ3 H -6.066 5.201 -3.282 1.00 . A A . 34 LYS HZ3 1 1 9 5982 1 1 34 LYS N N -6.219 1.493 2.439 1.00 . A A . 34 LYS N 1 1 9 5983 1 1 34 LYS NZ N -5.122 5.350 -2.868 1.00 . A A . 34 LYS NZ 1 1 9 5984 1 1 34 LYS O O -8.652 2.972 0.506 1.00 . A A . 34 LYS O 1 1 9 5985 1 1 35 TRP C C -10.875 1.515 1.451 1.00 . A A . 35 TRP C 1 1 9 5986 1 1 35 TRP CA C -10.442 2.566 2.473 1.00 . A A . 35 TRP CA 1 1 9 5987 1 1 35 TRP CB C -10.877 3.969 2.013 1.00 . A A . 35 TRP CB 1 1 9 5988 1 1 35 TRP CD1 C -9.097 5.007 3.481 1.00 . A A . 35 TRP CD1 1 1 9 5989 1 1 35 TRP CD2 C -9.255 6.012 1.476 1.00 . A A . 35 TRP CD2 1 1 9 5990 1 1 35 TRP CE2 C -8.233 6.683 2.186 1.00 . A A . 35 TRP CE2 1 1 9 5991 1 1 35 TRP CE3 C -9.556 6.450 0.177 1.00 . A A . 35 TRP CE3 1 1 9 5992 1 1 35 TRP CG C -9.791 4.953 2.321 1.00 . A A . 35 TRP CG 1 1 9 5993 1 1 35 TRP CH2 C -7.845 8.174 0.330 1.00 . A A . 35 TRP CH2 1 1 9 5994 1 1 35 TRP CZ2 C -7.533 7.751 1.624 1.00 . A A . 35 TRP CZ2 1 1 9 5995 1 1 35 TRP CZ3 C -8.856 7.524 -0.393 1.00 . A A . 35 TRP CZ3 1 1 9 5996 1 1 35 TRP H H -8.563 2.407 3.522 1.00 . A A . 35 TRP H 1 1 9 5997 1 1 35 TRP HA H -10.904 2.345 3.409 1.00 . A A . 35 TRP HA 1 1 9 5998 1 1 35 TRP HB2 H -11.064 3.966 0.950 1.00 . A A . 35 TRP HB2 1 1 9 5999 1 1 35 TRP HB3 H -11.780 4.258 2.533 1.00 . A A . 35 TRP HB3 1 1 9 6000 1 1 35 TRP HD1 H -9.240 4.354 4.328 1.00 . A A . 35 TRP HD1 1 1 9 6001 1 1 35 TRP HE1 H -7.545 6.284 4.113 1.00 . A A . 35 TRP HE1 1 1 9 6002 1 1 35 TRP HE3 H -10.331 5.956 -0.388 1.00 . A A . 35 TRP HE3 1 1 9 6003 1 1 35 TRP HH2 H -7.309 9.000 -0.114 1.00 . A A . 35 TRP HH2 1 1 9 6004 1 1 35 TRP HZ2 H -6.757 8.248 2.186 1.00 . A A . 35 TRP HZ2 1 1 9 6005 1 1 35 TRP HZ3 H -9.096 7.852 -1.394 1.00 . A A . 35 TRP HZ3 1 1 9 6006 1 1 35 TRP N N -8.956 2.550 2.637 1.00 . A A . 35 TRP N 1 1 9 6007 1 1 35 TRP NE1 N -8.172 6.033 3.402 1.00 . A A . 35 TRP NE1 1 1 9 6008 1 1 35 TRP O O -11.377 0.464 1.795 1.00 . A A . 35 TRP O 1 1 9 6009 1 1 36 LYS C C -12.521 1.032 -1.283 1.00 . A A . 36 LYS C 1 1 9 6010 1 1 36 LYS CA C -11.039 0.873 -0.909 1.00 . A A . 36 LYS CA 1 1 9 6011 1 1 36 LYS CB C -10.724 -0.590 -0.528 1.00 . A A . 36 LYS CB 1 1 9 6012 1 1 36 LYS CD C -8.260 -0.399 -0.894 1.00 . A A . 36 LYS CD 1 1 9 6013 1 1 36 LYS CE C -7.210 -0.465 -2.002 1.00 . A A . 36 LYS CE 1 1 9 6014 1 1 36 LYS CG C -9.545 -1.085 -1.368 1.00 . A A . 36 LYS CG 1 1 9 6015 1 1 36 LYS H H -10.270 2.668 -0.070 1.00 . A A . 36 LYS H 1 1 9 6016 1 1 36 LYS HA H -10.451 1.144 -1.775 1.00 . A A . 36 LYS HA 1 1 9 6017 1 1 36 LYS HB2 H -10.462 -0.657 0.513 1.00 . A A . 36 LYS HB2 1 1 9 6018 1 1 36 LYS HB3 H -11.583 -1.213 -0.724 1.00 . A A . 36 LYS HB3 1 1 9 6019 1 1 36 LYS HD2 H -8.466 0.633 -0.652 1.00 . A A . 36 LYS HD2 1 1 9 6020 1 1 36 LYS HD3 H -7.885 -0.906 -0.018 1.00 . A A . 36 LYS HD3 1 1 9 6021 1 1 36 LYS HE2 H -6.233 -0.265 -1.584 1.00 . A A . 36 LYS HE2 1 1 9 6022 1 1 36 LYS HE3 H -7.218 -1.447 -2.447 1.00 . A A . 36 LYS HE3 1 1 9 6023 1 1 36 LYS HG2 H -9.447 -2.152 -1.251 1.00 . A A . 36 LYS HG2 1 1 9 6024 1 1 36 LYS HG3 H -9.715 -0.851 -2.409 1.00 . A A . 36 LYS HG3 1 1 9 6025 1 1 36 LYS HZ1 H -8.367 0.264 -3.574 1.00 . A A . 36 LYS HZ1 1 1 9 6026 1 1 36 LYS HZ2 H -6.720 0.651 -3.692 1.00 . A A . 36 LYS HZ2 1 1 9 6027 1 1 36 LYS HZ3 H -7.707 1.474 -2.582 1.00 . A A . 36 LYS HZ3 1 1 9 6028 1 1 36 LYS N N -10.676 1.811 0.204 1.00 . A A . 36 LYS N 1 1 9 6029 1 1 36 LYS NZ N -7.524 0.558 -3.041 1.00 . A A . 36 LYS NZ 1 1 9 6030 1 1 36 LYS O O -13.153 0.107 -1.755 1.00 . A A . 36 LYS O 1 1 9 6031 1 1 37 TYR C C -14.546 3.321 -2.716 1.00 . A A . 37 TYR C 1 1 9 6032 1 1 37 TYR CA C -14.500 2.435 -1.468 1.00 . A A . 37 TYR CA 1 1 9 6033 1 1 37 TYR CB C -15.229 3.132 -0.318 1.00 . A A . 37 TYR CB 1 1 9 6034 1 1 37 TYR CD1 C -16.386 1.113 0.652 1.00 . A A . 37 TYR CD1 1 1 9 6035 1 1 37 TYR CD2 C -14.742 2.276 2.004 1.00 . A A . 37 TYR CD2 1 1 9 6036 1 1 37 TYR CE1 C -16.601 0.205 1.696 1.00 . A A . 37 TYR CE1 1 1 9 6037 1 1 37 TYR CE2 C -14.958 1.367 3.047 1.00 . A A . 37 TYR CE2 1 1 9 6038 1 1 37 TYR CG C -15.455 2.148 0.807 1.00 . A A . 37 TYR CG 1 1 9 6039 1 1 37 TYR CZ C -15.888 0.332 2.893 1.00 . A A . 37 TYR CZ 1 1 9 6040 1 1 37 TYR H H -12.515 2.971 -0.695 1.00 . A A . 37 TYR H 1 1 9 6041 1 1 37 TYR HA H -14.983 1.491 -1.682 1.00 . A A . 37 TYR HA 1 1 9 6042 1 1 37 TYR HB2 H -14.629 3.956 0.041 1.00 . A A . 37 TYR HB2 1 1 9 6043 1 1 37 TYR HB3 H -16.181 3.505 -0.665 1.00 . A A . 37 TYR HB3 1 1 9 6044 1 1 37 TYR HD1 H -16.935 1.013 -0.272 1.00 . A A . 37 TYR HD1 1 1 9 6045 1 1 37 TYR HD2 H -14.026 3.074 2.125 1.00 . A A . 37 TYR HD2 1 1 9 6046 1 1 37 TYR HE1 H -17.319 -0.594 1.576 1.00 . A A . 37 TYR HE1 1 1 9 6047 1 1 37 TYR HE2 H -14.408 1.465 3.971 1.00 . A A . 37 TYR HE2 1 1 9 6048 1 1 37 TYR HH H -16.848 -1.116 3.685 1.00 . A A . 37 TYR HH 1 1 9 6049 1 1 37 TYR N N -13.070 2.204 -1.098 1.00 . A A . 37 TYR N 1 1 9 6050 1 1 37 TYR O O -15.162 4.370 -2.724 1.00 . A A . 37 TYR O 1 1 9 6051 1 1 37 TYR OH O -16.101 -0.563 3.922 1.00 . A A . 37 TYR OH 1 1 9 6052 1 1 38 LEU C C -13.212 2.889 -6.127 1.00 . A A . 38 LEU C 1 1 9 6053 1 1 38 LEU CA C -13.855 3.721 -5.001 1.00 . A A . 38 LEU CA 1 1 9 6054 1 1 38 LEU CB C -13.059 5.007 -4.726 1.00 . A A . 38 LEU CB 1 1 9 6055 1 1 38 LEU CD1 C -10.549 4.806 -4.405 1.00 . A A . 38 LEU CD1 1 1 9 6056 1 1 38 LEU CD2 C -11.964 5.757 -2.560 1.00 . A A . 38 LEU CD2 1 1 9 6057 1 1 38 LEU CG C -11.919 4.730 -3.712 1.00 . A A . 38 LEU CG 1 1 9 6058 1 1 38 LEU H H -13.389 2.083 -3.730 1.00 . A A . 38 LEU H 1 1 9 6059 1 1 38 LEU HA H -14.863 3.967 -5.273 1.00 . A A . 38 LEU HA 1 1 9 6060 1 1 38 LEU HB2 H -12.651 5.384 -5.646 1.00 . A A . 38 LEU HB2 1 1 9 6061 1 1 38 LEU HB3 H -13.732 5.742 -4.316 1.00 . A A . 38 LEU HB3 1 1 9 6062 1 1 38 LEU HD11 H -10.301 3.838 -4.814 1.00 . A A . 38 LEU HD11 1 1 9 6063 1 1 38 LEU HD12 H -9.794 5.089 -3.684 1.00 . A A . 38 LEU HD12 1 1 9 6064 1 1 38 LEU HD13 H -10.576 5.537 -5.198 1.00 . A A . 38 LEU HD13 1 1 9 6065 1 1 38 LEU HD21 H -12.028 5.229 -1.620 1.00 . A A . 38 LEU HD21 1 1 9 6066 1 1 38 LEU HD22 H -12.826 6.400 -2.667 1.00 . A A . 38 LEU HD22 1 1 9 6067 1 1 38 LEU HD23 H -11.069 6.359 -2.572 1.00 . A A . 38 LEU HD23 1 1 9 6068 1 1 38 LEU HG H -12.038 3.742 -3.300 1.00 . A A . 38 LEU HG 1 1 9 6069 1 1 38 LEU N N -13.880 2.914 -3.762 1.00 . A A . 38 LEU N 1 1 9 6070 1 1 38 LEU O O -13.319 1.682 -6.135 1.00 . A A . 38 LEU O 1 1 9 6071 1 1 39 PHE C C -10.936 1.715 -7.641 1.00 . A A . 39 PHE C 1 1 9 6072 1 1 39 PHE CA C -11.935 2.732 -8.196 1.00 . A A . 39 PHE CA 1 1 9 6073 1 1 39 PHE CB C -11.207 3.697 -9.146 1.00 . A A . 39 PHE CB 1 1 9 6074 1 1 39 PHE CD1 C -11.966 2.715 -11.338 1.00 . A A . 39 PHE CD1 1 1 9 6075 1 1 39 PHE CD2 C -12.639 4.979 -10.786 1.00 . A A . 39 PHE CD2 1 1 9 6076 1 1 39 PHE CE1 C -12.653 2.805 -12.553 1.00 . A A . 39 PHE CE1 1 1 9 6077 1 1 39 PHE CE2 C -13.327 5.069 -12.002 1.00 . A A . 39 PHE CE2 1 1 9 6078 1 1 39 PHE CG C -11.957 3.801 -10.454 1.00 . A A . 39 PHE CG 1 1 9 6079 1 1 39 PHE CZ C -13.334 3.982 -12.884 1.00 . A A . 39 PHE CZ 1 1 9 6080 1 1 39 PHE H H -12.496 4.482 -7.078 1.00 . A A . 39 PHE H 1 1 9 6081 1 1 39 PHE HA H -12.700 2.208 -8.730 1.00 . A A . 39 PHE HA 1 1 9 6082 1 1 39 PHE HB2 H -11.151 4.673 -8.689 1.00 . A A . 39 PHE HB2 1 1 9 6083 1 1 39 PHE HB3 H -10.207 3.335 -9.337 1.00 . A A . 39 PHE HB3 1 1 9 6084 1 1 39 PHE HD1 H -11.439 1.807 -11.082 1.00 . A A . 39 PHE HD1 1 1 9 6085 1 1 39 PHE HD2 H -12.632 5.817 -10.105 1.00 . A A . 39 PHE HD2 1 1 9 6086 1 1 39 PHE HE1 H -12.659 1.967 -13.233 1.00 . A A . 39 PHE HE1 1 1 9 6087 1 1 39 PHE HE2 H -13.853 5.976 -12.259 1.00 . A A . 39 PHE HE2 1 1 9 6088 1 1 39 PHE HZ H -13.865 4.051 -13.822 1.00 . A A . 39 PHE HZ 1 1 9 6089 1 1 39 PHE N N -12.564 3.508 -7.084 1.00 . A A . 39 PHE N 1 1 9 6090 1 1 39 PHE O O -10.670 0.698 -8.247 1.00 . A A . 39 PHE O 1 1 9 6091 1 1 40 THR C C -8.518 0.417 -6.971 1.00 . A A . 40 THR C 1 1 9 6092 1 1 40 THR CA C -9.364 1.087 -5.886 1.00 . A A . 40 THR CA 1 1 9 6093 1 1 40 THR CB C -10.063 0.010 -5.041 1.00 . A A . 40 THR CB 1 1 9 6094 1 1 40 THR CG2 C -11.232 -0.610 -5.808 1.00 . A A . 40 THR CG2 1 1 9 6095 1 1 40 THR H H -10.614 2.838 -6.066 1.00 . A A . 40 THR H 1 1 9 6096 1 1 40 THR HA H -8.716 1.666 -5.249 1.00 . A A . 40 THR HA 1 1 9 6097 1 1 40 THR HB H -10.434 0.457 -4.130 1.00 . A A . 40 THR HB 1 1 9 6098 1 1 40 THR HG1 H -8.690 -0.763 -3.900 1.00 . A A . 40 THR HG1 1 1 9 6099 1 1 40 THR HG21 H -10.897 -0.952 -6.774 1.00 . A A . 40 THR HG21 1 1 9 6100 1 1 40 THR HG22 H -12.007 0.123 -5.934 1.00 . A A . 40 THR HG22 1 1 9 6101 1 1 40 THR HG23 H -11.623 -1.447 -5.249 1.00 . A A . 40 THR HG23 1 1 9 6102 1 1 40 THR N N -10.376 2.003 -6.507 1.00 . A A . 40 THR N 1 1 9 6103 1 1 40 THR O O -7.745 1.059 -7.655 1.00 . A A . 40 THR O 1 1 9 6104 1 1 40 THR OG1 O -9.125 -1.009 -4.718 1.00 . A A . 40 THR OG1 1 1 9 6105 1 1 41 GLY C C -6.970 -2.626 -7.446 1.00 . A A . 41 GLY C 1 1 9 6106 1 1 41 GLY CA C -7.863 -1.607 -8.152 1.00 . A A . 41 GLY CA 1 1 9 6107 1 1 41 GLY H H -9.280 -1.359 -6.549 1.00 . A A . 41 GLY H 1 1 9 6108 1 1 41 GLY HA2 H -8.536 -2.118 -8.825 1.00 . A A . 41 GLY HA2 1 1 9 6109 1 1 41 GLY HA3 H -7.247 -0.917 -8.709 1.00 . A A . 41 GLY HA3 1 1 9 6110 1 1 41 GLY N N -8.656 -0.870 -7.123 1.00 . A A . 41 GLY N 1 1 9 6111 1 1 41 GLY O O -6.519 -3.589 -8.034 1.00 . A A . 41 GLY O 1 1 9 6112 1 1 42 GLU C C -6.774 -4.286 -4.575 1.00 . A A . 42 GLU C 1 1 9 6113 1 1 42 GLU CA C -5.872 -3.376 -5.413 1.00 . A A . 42 GLU CA 1 1 9 6114 1 1 42 GLU CB C -4.931 -2.590 -4.496 1.00 . A A . 42 GLU CB 1 1 9 6115 1 1 42 GLU CD C -4.647 -3.772 -2.285 1.00 . A A . 42 GLU CD 1 1 9 6116 1 1 42 GLU CG C -4.056 -3.560 -3.685 1.00 . A A . 42 GLU CG 1 1 9 6117 1 1 42 GLU H H -7.108 -1.643 -5.727 1.00 . A A . 42 GLU H 1 1 9 6118 1 1 42 GLU HA H -5.291 -3.978 -6.097 1.00 . A A . 42 GLU HA 1 1 9 6119 1 1 42 GLU HB2 H -4.300 -1.956 -5.101 1.00 . A A . 42 GLU HB2 1 1 9 6120 1 1 42 GLU HB3 H -5.511 -1.976 -3.827 1.00 . A A . 42 GLU HB3 1 1 9 6121 1 1 42 GLU HG2 H -4.001 -4.510 -4.196 1.00 . A A . 42 GLU HG2 1 1 9 6122 1 1 42 GLU HG3 H -3.061 -3.149 -3.591 1.00 . A A . 42 GLU HG3 1 1 9 6123 1 1 42 GLU N N -6.725 -2.423 -6.179 1.00 . A A . 42 GLU N 1 1 9 6124 1 1 42 GLU O O -7.173 -3.940 -3.480 1.00 . A A . 42 GLU O 1 1 9 6125 1 1 42 GLU OE1 O -5.480 -2.978 -1.883 1.00 . A A . 42 GLU OE1 1 1 9 6126 1 1 42 GLU OE2 O -4.248 -4.726 -1.637 1.00 . A A . 42 GLU OE2 1 1 9 6127 1 1 43 CYS C C -9.040 -5.630 -3.570 1.00 . A A . 43 CYS C 1 1 9 6128 1 1 43 CYS CA C -7.962 -6.399 -4.344 1.00 . A A . 43 CYS CA 1 1 9 6129 1 1 43 CYS CB C -7.093 -7.200 -3.380 1.00 . A A . 43 CYS CB 1 1 9 6130 1 1 43 CYS H H -6.748 -5.697 -5.964 1.00 . A A . 43 CYS H 1 1 9 6131 1 1 43 CYS HXT H -8.470 -6.411 -2.004 1.00 . A A . 43 CYS HXT 1 1 9 6132 1 1 43 CYS HA H -8.435 -7.070 -5.044 1.00 . A A . 43 CYS HA 1 1 9 6133 1 1 43 CYS HB2 H -6.310 -7.693 -3.936 1.00 . A A . 43 CYS HB2 1 1 9 6134 1 1 43 CYS HB3 H -6.656 -6.531 -2.661 1.00 . A A . 43 CYS HB3 1 1 9 6135 1 1 43 CYS N N -7.090 -5.446 -5.087 1.00 . A A . 43 CYS N 1 1 9 6136 1 1 43 CYS O O -9.945 -5.117 -4.210 1.00 . A A . 43 CYS O 1 1 9 6137 1 1 43 CYS OXT O -8.940 -5.565 -2.356 1.00 . A A . 43 CYS OXT 1 1 9 6138 1 1 43 CYS SG S -8.106 -8.440 -2.531 1.00 . A A . 43 CYS SG 1 1 10 6139 1 1 1 CYS C C 4.109 -8.373 0.704 1.00 . A A . 1 CYS C 1 1 10 6140 1 1 1 CYS CA C 3.954 -9.160 -0.601 1.00 . A A . 1 CYS CA 1 1 10 6141 1 1 1 CYS CB C 2.463 -9.340 -0.878 1.00 . A A . 1 CYS CB 1 1 10 6142 1 1 1 CYS H1 H 5.601 -10.382 -0.273 1.00 . A A . 1 CYS H1 1 1 10 6143 1 1 1 CYS H2 H 4.159 -11.010 0.322 1.00 . A A . 1 CYS H2 1 1 10 6144 1 1 1 CYS H3 H 4.469 -11.037 -1.330 1.00 . A A . 1 CYS H3 1 1 10 6145 1 1 1 CYS HA H 4.414 -8.619 -1.414 1.00 . A A . 1 CYS HA 1 1 10 6146 1 1 1 CYS HB2 H 2.020 -8.381 -1.103 1.00 . A A . 1 CYS HB2 1 1 10 6147 1 1 1 CYS HB3 H 2.322 -10.070 -1.714 1.00 . A A . 1 CYS HB3 1 1 10 6148 1 1 1 CYS N N 4.595 -10.501 -0.460 1.00 . A A . 1 CYS N 1 1 10 6149 1 1 1 CYS O O 4.093 -8.938 1.780 1.00 . A A . 1 CYS O 1 1 10 6150 1 1 1 CYS SG S 1.672 -10.041 0.592 1.00 . A A . 1 CYS SG 1 1 10 6151 1 1 2 GLY C C 2.977 -6.171 2.533 1.00 . A A . 2 GLY C 1 1 10 6152 1 1 2 GLY CA C 4.357 -6.272 1.877 1.00 . A A . 2 GLY CA 1 1 10 6153 1 1 2 GLY H H 4.231 -6.625 -0.249 1.00 . A A . 2 GLY H 1 1 10 6154 1 1 2 GLY HA2 H 5.050 -6.754 2.552 1.00 . A A . 2 GLY HA2 1 1 10 6155 1 1 2 GLY HA3 H 4.713 -5.279 1.639 1.00 . A A . 2 GLY HA3 1 1 10 6156 1 1 2 GLY N N 4.234 -7.075 0.627 1.00 . A A . 2 GLY N 1 1 10 6157 1 1 2 GLY O O 1.997 -5.862 1.886 1.00 . A A . 2 GLY O 1 1 10 6158 1 1 3 SER C C 1.505 -5.066 5.327 1.00 . A A . 3 SER C 1 1 10 6159 1 1 3 SER CA C 1.576 -6.356 4.508 1.00 . A A . 3 SER CA 1 1 10 6160 1 1 3 SER CB C 1.424 -7.562 5.438 1.00 . A A . 3 SER CB 1 1 10 6161 1 1 3 SER H H 3.698 -6.682 4.311 1.00 . A A . 3 SER H 1 1 10 6162 1 1 3 SER HA H 0.778 -6.362 3.780 1.00 . A A . 3 SER HA 1 1 10 6163 1 1 3 SER HB2 H 0.437 -7.565 5.867 1.00 . A A . 3 SER HB2 1 1 10 6164 1 1 3 SER HB3 H 1.570 -8.472 4.869 1.00 . A A . 3 SER HB3 1 1 10 6165 1 1 3 SER HG H 2.073 -8.006 7.217 1.00 . A A . 3 SER HG 1 1 10 6166 1 1 3 SER N N 2.894 -6.431 3.811 1.00 . A A . 3 SER N 1 1 10 6167 1 1 3 SER O O 2.024 -4.041 4.934 1.00 . A A . 3 SER O 1 1 10 6168 1 1 3 SER OG O 2.387 -7.479 6.481 1.00 . A A . 3 SER OG 1 1 10 6169 1 1 4 LYS C C 2.147 -3.286 7.491 1.00 . A A . 4 LYS C 1 1 10 6170 1 1 4 LYS CA C 0.754 -3.871 7.289 1.00 . A A . 4 LYS CA 1 1 10 6171 1 1 4 LYS CB C 0.157 -4.235 8.656 1.00 . A A . 4 LYS CB 1 1 10 6172 1 1 4 LYS CD C -1.394 -3.509 10.486 1.00 . A A . 4 LYS CD 1 1 10 6173 1 1 4 LYS CE C -2.735 -2.785 10.623 1.00 . A A . 4 LYS CE 1 1 10 6174 1 1 4 LYS CG C -0.695 -3.077 9.189 1.00 . A A . 4 LYS CG 1 1 10 6175 1 1 4 LYS H H 0.440 -5.934 6.759 1.00 . A A . 4 LYS H 1 1 10 6176 1 1 4 LYS HA H 0.129 -3.149 6.792 1.00 . A A . 4 LYS HA 1 1 10 6177 1 1 4 LYS HB2 H -0.459 -5.116 8.552 1.00 . A A . 4 LYS HB2 1 1 10 6178 1 1 4 LYS HB3 H 0.955 -4.441 9.354 1.00 . A A . 4 LYS HB3 1 1 10 6179 1 1 4 LYS HD2 H -1.566 -4.575 10.472 1.00 . A A . 4 LYS HD2 1 1 10 6180 1 1 4 LYS HD3 H -0.769 -3.259 11.331 1.00 . A A . 4 LYS HD3 1 1 10 6181 1 1 4 LYS HE2 H -3.467 -3.263 9.991 1.00 . A A . 4 LYS HE2 1 1 10 6182 1 1 4 LYS HE3 H -3.061 -2.828 11.652 1.00 . A A . 4 LYS HE3 1 1 10 6183 1 1 4 LYS HG2 H -0.060 -2.224 9.385 1.00 . A A . 4 LYS HG2 1 1 10 6184 1 1 4 LYS HG3 H -1.438 -2.811 8.452 1.00 . A A . 4 LYS HG3 1 1 10 6185 1 1 4 LYS HZ1 H -1.686 -1.246 9.692 1.00 . A A . 4 LYS HZ1 1 1 10 6186 1 1 4 LYS HZ2 H -2.564 -0.758 11.059 1.00 . A A . 4 LYS HZ2 1 1 10 6187 1 1 4 LYS HZ3 H -3.375 -1.087 9.605 1.00 . A A . 4 LYS HZ3 1 1 10 6188 1 1 4 LYS N N 0.861 -5.102 6.459 1.00 . A A . 4 LYS N 1 1 10 6189 1 1 4 LYS NZ N -2.577 -1.362 10.212 1.00 . A A . 4 LYS NZ 1 1 10 6190 1 1 4 LYS O O 3.030 -3.926 8.027 1.00 . A A . 4 LYS O 1 1 10 6191 1 1 5 ARG C C 4.741 -2.414 6.659 1.00 . A A . 5 ARG C 1 1 10 6192 1 1 5 ARG CA C 3.691 -1.463 7.236 1.00 . A A . 5 ARG CA 1 1 10 6193 1 1 5 ARG CB C 3.950 -1.211 8.733 1.00 . A A . 5 ARG CB 1 1 10 6194 1 1 5 ARG CD C 2.677 0.939 8.836 1.00 . A A . 5 ARG CD 1 1 10 6195 1 1 5 ARG CG C 4.056 0.296 8.993 1.00 . A A . 5 ARG CG 1 1 10 6196 1 1 5 ARG CZ C 1.721 1.252 11.047 1.00 . A A . 5 ARG CZ 1 1 10 6197 1 1 5 ARG H H 1.639 -1.574 6.628 1.00 . A A . 5 ARG H 1 1 10 6198 1 1 5 ARG HA H 3.722 -0.531 6.695 1.00 . A A . 5 ARG HA 1 1 10 6199 1 1 5 ARG HB2 H 3.133 -1.618 9.311 1.00 . A A . 5 ARG HB2 1 1 10 6200 1 1 5 ARG HB3 H 4.872 -1.692 9.031 1.00 . A A . 5 ARG HB3 1 1 10 6201 1 1 5 ARG HD2 H 2.777 2.015 8.834 1.00 . A A . 5 ARG HD2 1 1 10 6202 1 1 5 ARG HD3 H 2.235 0.620 7.905 1.00 . A A . 5 ARG HD3 1 1 10 6203 1 1 5 ARG HE H 1.278 -0.307 9.898 1.00 . A A . 5 ARG HE 1 1 10 6204 1 1 5 ARG HG2 H 4.420 0.463 9.998 1.00 . A A . 5 ARG HG2 1 1 10 6205 1 1 5 ARG HG3 H 4.741 0.739 8.286 1.00 . A A . 5 ARG HG3 1 1 10 6206 1 1 5 ARG HH11 H 3.022 2.632 10.404 1.00 . A A . 5 ARG HH11 1 1 10 6207 1 1 5 ARG HH12 H 2.354 2.908 11.977 1.00 . A A . 5 ARG HH12 1 1 10 6208 1 1 5 ARG HH21 H 0.406 0.043 11.952 1.00 . A A . 5 ARG HH21 1 1 10 6209 1 1 5 ARG HH22 H 0.878 1.446 12.853 1.00 . A A . 5 ARG HH22 1 1 10 6210 1 1 5 ARG N N 2.355 -2.075 7.066 1.00 . A A . 5 ARG N 1 1 10 6211 1 1 5 ARG NE N 1.799 0.519 9.966 1.00 . A A . 5 ARG NE 1 1 10 6212 1 1 5 ARG NH1 N 2.421 2.348 11.149 1.00 . A A . 5 ARG NH1 1 1 10 6213 1 1 5 ARG NH2 N 0.942 0.884 12.026 1.00 . A A . 5 ARG NH2 1 1 10 6214 1 1 5 ARG O O 5.287 -3.254 7.346 1.00 . A A . 5 ARG O 1 1 10 6215 1 1 6 ALA C C 6.232 -2.763 3.289 1.00 . A A . 6 ALA C 1 1 10 6216 1 1 6 ALA CA C 6.014 -3.186 4.743 1.00 . A A . 6 ALA CA 1 1 10 6217 1 1 6 ALA CB C 5.501 -4.626 4.779 1.00 . A A . 6 ALA CB 1 1 10 6218 1 1 6 ALA H H 4.538 -1.611 4.861 1.00 . A A . 6 ALA H 1 1 10 6219 1 1 6 ALA HA H 6.952 -3.128 5.278 1.00 . A A . 6 ALA HA 1 1 10 6220 1 1 6 ALA HB1 H 4.606 -4.706 4.181 1.00 . A A . 6 ALA HB1 1 1 10 6221 1 1 6 ALA HB2 H 5.278 -4.903 5.796 1.00 . A A . 6 ALA HB2 1 1 10 6222 1 1 6 ALA HB3 H 6.255 -5.289 4.384 1.00 . A A . 6 ALA HB3 1 1 10 6223 1 1 6 ALA N N 5.011 -2.286 5.391 1.00 . A A . 6 ALA N 1 1 10 6224 1 1 6 ALA O O 5.303 -2.482 2.560 1.00 . A A . 6 ALA O 1 1 10 6225 1 1 7 TRP C C 6.945 -2.959 0.455 1.00 . A A . 7 TRP C 1 1 10 6226 1 1 7 TRP CA C 7.835 -2.290 1.504 1.00 . A A . 7 TRP CA 1 1 10 6227 1 1 7 TRP CB C 9.293 -2.703 1.248 1.00 . A A . 7 TRP CB 1 1 10 6228 1 1 7 TRP CD1 C 9.381 -2.368 -1.243 1.00 . A A . 7 TRP CD1 1 1 10 6229 1 1 7 TRP CD2 C 9.660 -4.522 -0.669 1.00 . A A . 7 TRP CD2 1 1 10 6230 1 1 7 TRP CE2 C 9.733 -4.469 -2.081 1.00 . A A . 7 TRP CE2 1 1 10 6231 1 1 7 TRP CE3 C 9.804 -5.775 -0.046 1.00 . A A . 7 TRP CE3 1 1 10 6232 1 1 7 TRP CG C 9.442 -3.170 -0.164 1.00 . A A . 7 TRP CG 1 1 10 6233 1 1 7 TRP CH2 C 10.082 -6.852 -2.213 1.00 . A A . 7 TRP CH2 1 1 10 6234 1 1 7 TRP CZ2 C 9.940 -5.616 -2.846 1.00 . A A . 7 TRP CZ2 1 1 10 6235 1 1 7 TRP CZ3 C 10.013 -6.932 -0.814 1.00 . A A . 7 TRP CZ3 1 1 10 6236 1 1 7 TRP H H 8.190 -2.927 3.511 1.00 . A A . 7 TRP H 1 1 10 6237 1 1 7 TRP HA H 7.750 -1.217 1.411 1.00 . A A . 7 TRP HA 1 1 10 6238 1 1 7 TRP HB2 H 9.943 -1.857 1.415 1.00 . A A . 7 TRP HB2 1 1 10 6239 1 1 7 TRP HB3 H 9.564 -3.503 1.921 1.00 . A A . 7 TRP HB3 1 1 10 6240 1 1 7 TRP HD1 H 9.223 -1.301 -1.213 1.00 . A A . 7 TRP HD1 1 1 10 6241 1 1 7 TRP HE1 H 9.560 -2.791 -3.305 1.00 . A A . 7 TRP HE1 1 1 10 6242 1 1 7 TRP HE3 H 9.753 -5.846 1.029 1.00 . A A . 7 TRP HE3 1 1 10 6243 1 1 7 TRP HH2 H 10.242 -7.745 -2.799 1.00 . A A . 7 TRP HH2 1 1 10 6244 1 1 7 TRP HZ2 H 9.990 -5.549 -3.923 1.00 . A A . 7 TRP HZ2 1 1 10 6245 1 1 7 TRP HZ3 H 10.123 -7.889 -0.325 1.00 . A A . 7 TRP HZ3 1 1 10 6246 1 1 7 TRP N N 7.473 -2.705 2.886 1.00 . A A . 7 TRP N 1 1 10 6247 1 1 7 TRP NE1 N 9.557 -3.134 -2.385 1.00 . A A . 7 TRP NE1 1 1 10 6248 1 1 7 TRP O O 6.517 -4.087 0.599 1.00 . A A . 7 TRP O 1 1 10 6249 1 1 8 CYS C C 6.752 -2.747 -3.030 1.00 . A A . 8 CYS C 1 1 10 6250 1 1 8 CYS CA C 5.919 -2.840 -1.751 1.00 . A A . 8 CYS CA 1 1 10 6251 1 1 8 CYS CB C 4.610 -2.069 -1.965 1.00 . A A . 8 CYS CB 1 1 10 6252 1 1 8 CYS H H 7.109 -1.370 -0.727 1.00 . A A . 8 CYS H 1 1 10 6253 1 1 8 CYS HA H 5.696 -3.881 -1.544 1.00 . A A . 8 CYS HA 1 1 10 6254 1 1 8 CYS HB2 H 4.491 -1.850 -3.014 1.00 . A A . 8 CYS HB2 1 1 10 6255 1 1 8 CYS HB3 H 3.795 -2.683 -1.645 1.00 . A A . 8 CYS HB3 1 1 10 6256 1 1 8 CYS N N 6.717 -2.266 -0.633 1.00 . A A . 8 CYS N 1 1 10 6257 1 1 8 CYS O O 7.595 -1.884 -3.174 1.00 . A A . 8 CYS O 1 1 10 6258 1 1 8 CYS SG S 4.606 -0.517 -1.037 1.00 . A A . 8 CYS SG 1 1 10 6259 1 1 9 LYS C C 6.541 -2.604 -6.191 1.00 . A A . 9 LYS C 1 1 10 6260 1 1 9 LYS CA C 7.245 -3.591 -5.247 1.00 . A A . 9 LYS CA 1 1 10 6261 1 1 9 LYS CB C 7.217 -5.012 -5.822 1.00 . A A . 9 LYS CB 1 1 10 6262 1 1 9 LYS CD C 7.841 -6.546 -7.643 1.00 . A A . 9 LYS CD 1 1 10 6263 1 1 9 LYS CE C 8.585 -6.734 -8.964 1.00 . A A . 9 LYS CE 1 1 10 6264 1 1 9 LYS CG C 7.958 -5.101 -7.153 1.00 . A A . 9 LYS CG 1 1 10 6265 1 1 9 LYS H H 5.805 -4.288 -3.817 1.00 . A A . 9 LYS H 1 1 10 6266 1 1 9 LYS HA H 8.267 -3.280 -5.081 1.00 . A A . 9 LYS HA 1 1 10 6267 1 1 9 LYS HB2 H 7.693 -5.680 -5.118 1.00 . A A . 9 LYS HB2 1 1 10 6268 1 1 9 LYS HB3 H 6.198 -5.319 -5.966 1.00 . A A . 9 LYS HB3 1 1 10 6269 1 1 9 LYS HD2 H 8.257 -7.207 -6.899 1.00 . A A . 9 LYS HD2 1 1 10 6270 1 1 9 LYS HD3 H 6.797 -6.787 -7.786 1.00 . A A . 9 LYS HD3 1 1 10 6271 1 1 9 LYS HE2 H 8.178 -6.069 -9.713 1.00 . A A . 9 LYS HE2 1 1 10 6272 1 1 9 LYS HE3 H 9.632 -6.517 -8.818 1.00 . A A . 9 LYS HE3 1 1 10 6273 1 1 9 LYS HG2 H 7.503 -4.429 -7.868 1.00 . A A . 9 LYS HG2 1 1 10 6274 1 1 9 LYS HG3 H 8.995 -4.849 -7.020 1.00 . A A . 9 LYS HG3 1 1 10 6275 1 1 9 LYS HZ1 H 7.551 -8.542 -9.013 1.00 . A A . 9 LYS HZ1 1 1 10 6276 1 1 9 LYS HZ2 H 9.238 -8.711 -9.078 1.00 . A A . 9 LYS HZ2 1 1 10 6277 1 1 9 LYS HZ3 H 8.384 -8.183 -10.449 1.00 . A A . 9 LYS HZ3 1 1 10 6278 1 1 9 LYS N N 6.502 -3.616 -3.959 1.00 . A A . 9 LYS N 1 1 10 6279 1 1 9 LYS NZ N 8.429 -8.150 -9.409 1.00 . A A . 9 LYS NZ 1 1 10 6280 1 1 9 LYS O O 7.168 -1.924 -6.973 1.00 . A A . 9 LYS O 1 1 10 6281 1 1 10 GLU C C 3.026 -1.400 -6.360 1.00 . A A . 10 GLU C 1 1 10 6282 1 1 10 GLU CA C 4.439 -1.574 -6.951 1.00 . A A . 10 GLU CA 1 1 10 6283 1 1 10 GLU CB C 4.299 -2.125 -8.384 1.00 . A A . 10 GLU CB 1 1 10 6284 1 1 10 GLU CD C 5.991 -0.464 -9.255 1.00 . A A . 10 GLU CD 1 1 10 6285 1 1 10 GLU CG C 5.600 -1.945 -9.186 1.00 . A A . 10 GLU CG 1 1 10 6286 1 1 10 GLU H H 4.773 -3.062 -5.423 1.00 . A A . 10 GLU H 1 1 10 6287 1 1 10 GLU HA H 4.932 -0.616 -6.976 1.00 . A A . 10 GLU HA 1 1 10 6288 1 1 10 GLU HB2 H 4.065 -3.179 -8.331 1.00 . A A . 10 GLU HB2 1 1 10 6289 1 1 10 GLU HB3 H 3.497 -1.612 -8.887 1.00 . A A . 10 GLU HB3 1 1 10 6290 1 1 10 GLU HG2 H 6.394 -2.513 -8.737 1.00 . A A . 10 GLU HG2 1 1 10 6291 1 1 10 GLU HG3 H 5.436 -2.305 -10.193 1.00 . A A . 10 GLU HG3 1 1 10 6292 1 1 10 GLU N N 5.234 -2.514 -6.090 1.00 . A A . 10 GLU N 1 1 10 6293 1 1 10 GLU O O 2.726 -1.874 -5.282 1.00 . A A . 10 GLU O 1 1 10 6294 1 1 10 GLU OE1 O 6.563 0.025 -8.296 1.00 . A A . 10 GLU OE1 1 1 10 6295 1 1 10 GLU OE2 O 5.694 0.159 -10.262 1.00 . A A . 10 GLU OE2 1 1 10 6296 1 1 11 LYS C C -0.070 -1.817 -6.419 1.00 . A A . 11 LYS C 1 1 10 6297 1 1 11 LYS CA C 0.756 -0.496 -6.588 1.00 . A A . 11 LYS CA 1 1 10 6298 1 1 11 LYS CB C 0.022 0.331 -7.651 1.00 . A A . 11 LYS CB 1 1 10 6299 1 1 11 LYS CD C -2.193 1.161 -8.448 1.00 . A A . 11 LYS CD 1 1 10 6300 1 1 11 LYS CE C -3.693 1.223 -8.147 1.00 . A A . 11 LYS CE 1 1 10 6301 1 1 11 LYS CG C -1.460 0.497 -7.280 1.00 . A A . 11 LYS CG 1 1 10 6302 1 1 11 LYS H H 2.433 -0.348 -7.937 1.00 . A A . 11 LYS H 1 1 10 6303 1 1 11 LYS HA H 0.768 0.048 -5.655 1.00 . A A . 11 LYS HA 1 1 10 6304 1 1 11 LYS HB2 H 0.481 1.306 -7.725 1.00 . A A . 11 LYS HB2 1 1 10 6305 1 1 11 LYS HB3 H 0.094 -0.171 -8.603 1.00 . A A . 11 LYS HB3 1 1 10 6306 1 1 11 LYS HD2 H -1.813 2.164 -8.587 1.00 . A A . 11 LYS HD2 1 1 10 6307 1 1 11 LYS HD3 H -2.032 0.588 -9.347 1.00 . A A . 11 LYS HD3 1 1 10 6308 1 1 11 LYS HE2 H -4.042 0.240 -7.861 1.00 . A A . 11 LYS HE2 1 1 10 6309 1 1 11 LYS HE3 H -3.871 1.918 -7.340 1.00 . A A . 11 LYS HE3 1 1 10 6310 1 1 11 LYS HG2 H -1.900 -0.470 -7.086 1.00 . A A . 11 LYS HG2 1 1 10 6311 1 1 11 LYS HG3 H -1.547 1.119 -6.402 1.00 . A A . 11 LYS HG3 1 1 10 6312 1 1 11 LYS HZ1 H -5.391 1.958 -9.106 1.00 . A A . 11 LYS HZ1 1 1 10 6313 1 1 11 LYS HZ2 H -4.468 0.894 -10.051 1.00 . A A . 11 LYS HZ2 1 1 10 6314 1 1 11 LYS HZ3 H -3.927 2.485 -9.791 1.00 . A A . 11 LYS HZ3 1 1 10 6315 1 1 11 LYS N N 2.160 -0.719 -7.071 1.00 . A A . 11 LYS N 1 1 10 6316 1 1 11 LYS NZ N -4.425 1.676 -9.365 1.00 . A A . 11 LYS NZ 1 1 10 6317 1 1 11 LYS O O -0.597 -2.074 -5.390 1.00 . A A . 11 LYS O 1 1 10 6318 1 1 12 LYS C C 0.082 -4.984 -6.673 1.00 . A A . 12 LYS C 1 1 10 6319 1 1 12 LYS CA C -0.790 -3.922 -7.337 1.00 . A A . 12 LYS CA 1 1 10 6320 1 1 12 LYS CB C -1.182 -4.380 -8.748 1.00 . A A . 12 LYS CB 1 1 10 6321 1 1 12 LYS CD C -3.561 -5.030 -9.281 1.00 . A A . 12 LYS CD 1 1 10 6322 1 1 12 LYS CE C -3.367 -4.654 -10.761 1.00 . A A . 12 LYS CE 1 1 10 6323 1 1 12 LYS CG C -2.234 -5.503 -8.668 1.00 . A A . 12 LYS CG 1 1 10 6324 1 1 12 LYS H H 0.430 -2.404 -8.266 1.00 . A A . 12 LYS H 1 1 10 6325 1 1 12 LYS HA H -1.684 -3.769 -6.749 1.00 . A A . 12 LYS HA 1 1 10 6326 1 1 12 LYS HB2 H -1.585 -3.541 -9.298 1.00 . A A . 12 LYS HB2 1 1 10 6327 1 1 12 LYS HB3 H -0.303 -4.751 -9.260 1.00 . A A . 12 LYS HB3 1 1 10 6328 1 1 12 LYS HD2 H -4.290 -5.824 -9.204 1.00 . A A . 12 LYS HD2 1 1 10 6329 1 1 12 LYS HD3 H -3.916 -4.167 -8.735 1.00 . A A . 12 LYS HD3 1 1 10 6330 1 1 12 LYS HE2 H -4.159 -5.093 -11.352 1.00 . A A . 12 LYS HE2 1 1 10 6331 1 1 12 LYS HE3 H -3.398 -3.578 -10.866 1.00 . A A . 12 LYS HE3 1 1 10 6332 1 1 12 LYS HG2 H -1.880 -6.371 -9.208 1.00 . A A . 12 LYS HG2 1 1 10 6333 1 1 12 LYS HG3 H -2.399 -5.773 -7.635 1.00 . A A . 12 LYS HG3 1 1 10 6334 1 1 12 LYS HZ1 H -1.288 -4.583 -10.841 1.00 . A A . 12 LYS HZ1 1 1 10 6335 1 1 12 LYS HZ2 H -2.017 -5.101 -12.282 1.00 . A A . 12 LYS HZ2 1 1 10 6336 1 1 12 LYS HZ3 H -1.934 -6.149 -10.948 1.00 . A A . 12 LYS HZ3 1 1 10 6337 1 1 12 LYS N N -0.030 -2.639 -7.431 1.00 . A A . 12 LYS N 1 1 10 6338 1 1 12 LYS NZ N -2.051 -5.160 -11.244 1.00 . A A . 12 LYS NZ 1 1 10 6339 1 1 12 LYS O O -0.298 -6.132 -6.560 1.00 . A A . 12 LYS O 1 1 10 6340 1 1 13 ASP C C 2.062 -5.591 -4.111 1.00 . A A . 13 ASP C 1 1 10 6341 1 1 13 ASP CA C 2.186 -5.578 -5.644 1.00 . A A . 13 ASP CA 1 1 10 6342 1 1 13 ASP CB C 3.590 -5.175 -6.045 1.00 . A A . 13 ASP CB 1 1 10 6343 1 1 13 ASP CG C 3.951 -5.781 -7.404 1.00 . A A . 13 ASP CG 1 1 10 6344 1 1 13 ASP H H 1.552 -3.687 -6.391 1.00 . A A . 13 ASP H 1 1 10 6345 1 1 13 ASP HA H 1.979 -6.566 -6.020 1.00 . A A . 13 ASP HA 1 1 10 6346 1 1 13 ASP HB2 H 3.626 -4.103 -6.118 1.00 . A A . 13 ASP HB2 1 1 10 6347 1 1 13 ASP HB3 H 4.278 -5.508 -5.302 1.00 . A A . 13 ASP HB3 1 1 10 6348 1 1 13 ASP N N 1.259 -4.611 -6.265 1.00 . A A . 13 ASP N 1 1 10 6349 1 1 13 ASP O O 2.800 -6.289 -3.447 1.00 . A A . 13 ASP O 1 1 10 6350 1 1 13 ASP OD1 O 3.230 -6.654 -7.856 1.00 . A A . 13 ASP OD1 1 1 10 6351 1 1 13 ASP OD2 O 4.941 -5.353 -7.974 1.00 . A A . 13 ASP OD2 1 1 10 6352 1 1 14 CYS C C 0.149 -6.092 -1.701 1.00 . A A . 14 CYS C 1 1 10 6353 1 1 14 CYS CA C 1.024 -4.895 -2.051 1.00 . A A . 14 CYS CA 1 1 10 6354 1 1 14 CYS CB C 0.350 -3.611 -1.549 1.00 . A A . 14 CYS CB 1 1 10 6355 1 1 14 CYS H H 0.538 -4.301 -4.054 1.00 . A A . 14 CYS H 1 1 10 6356 1 1 14 CYS HA H 2.000 -5.006 -1.603 1.00 . A A . 14 CYS HA 1 1 10 6357 1 1 14 CYS HB2 H -0.245 -3.192 -2.345 1.00 . A A . 14 CYS HB2 1 1 10 6358 1 1 14 CYS HB3 H -0.287 -3.842 -0.724 1.00 . A A . 14 CYS HB3 1 1 10 6359 1 1 14 CYS N N 1.146 -4.859 -3.530 1.00 . A A . 14 CYS N 1 1 10 6360 1 1 14 CYS O O -0.632 -6.550 -2.511 1.00 . A A . 14 CYS O 1 1 10 6361 1 1 14 CYS SG S 1.587 -2.390 -1.038 1.00 . A A . 14 CYS SG 1 1 10 6362 1 1 15 CYS C C -1.997 -7.523 -0.547 1.00 . A A . 15 CYS C 1 1 10 6363 1 1 15 CYS CA C -0.549 -7.785 -0.151 1.00 . A A . 15 CYS CA 1 1 10 6364 1 1 15 CYS CB C -0.429 -7.998 1.347 1.00 . A A . 15 CYS CB 1 1 10 6365 1 1 15 CYS H H 0.901 -6.261 0.134 1.00 . A A . 15 CYS H 1 1 10 6366 1 1 15 CYS HA H -0.189 -8.658 -0.673 1.00 . A A . 15 CYS HA 1 1 10 6367 1 1 15 CYS HB2 H -0.707 -7.092 1.865 1.00 . A A . 15 CYS HB2 1 1 10 6368 1 1 15 CYS HB3 H -1.077 -8.788 1.642 1.00 . A A . 15 CYS HB3 1 1 10 6369 1 1 15 CYS N N 0.271 -6.620 -0.516 1.00 . A A . 15 CYS N 1 1 10 6370 1 1 15 CYS O O -2.369 -6.416 -0.879 1.00 . A A . 15 CYS O 1 1 10 6371 1 1 15 CYS SG S 1.278 -8.434 1.755 1.00 . A A . 15 CYS SG 1 1 10 6372 1 1 16 CYS C C -4.925 -7.392 0.021 1.00 . A A . 16 CYS C 1 1 10 6373 1 1 16 CYS CA C -4.222 -8.341 -0.952 1.00 . A A . 16 CYS CA 1 1 10 6374 1 1 16 CYS CB C -4.920 -9.699 -0.966 1.00 . A A . 16 CYS CB 1 1 10 6375 1 1 16 CYS H H -2.497 -9.429 -0.297 1.00 . A A . 16 CYS H 1 1 10 6376 1 1 16 CYS HA H -4.248 -7.918 -1.939 1.00 . A A . 16 CYS HA 1 1 10 6377 1 1 16 CYS HB2 H -4.349 -10.407 -0.388 1.00 . A A . 16 CYS HB2 1 1 10 6378 1 1 16 CYS HB3 H -5.898 -9.595 -0.544 1.00 . A A . 16 CYS HB3 1 1 10 6379 1 1 16 CYS N N -2.814 -8.536 -0.544 1.00 . A A . 16 CYS N 1 1 10 6380 1 1 16 CYS O O -4.864 -7.550 1.223 1.00 . A A . 16 CYS O 1 1 10 6381 1 1 16 CYS SG S -5.070 -10.286 -2.667 1.00 . A A . 16 CYS SG 1 1 10 6382 1 1 17 GLY C C -5.320 -4.358 0.837 1.00 . A A . 17 GLY C 1 1 10 6383 1 1 17 GLY CA C -6.305 -5.429 0.368 1.00 . A A . 17 GLY CA 1 1 10 6384 1 1 17 GLY H H -5.629 -6.297 -1.479 1.00 . A A . 17 GLY H 1 1 10 6385 1 1 17 GLY HA2 H -7.106 -4.965 -0.189 1.00 . A A . 17 GLY HA2 1 1 10 6386 1 1 17 GLY HA3 H -6.709 -5.943 1.226 1.00 . A A . 17 GLY HA3 1 1 10 6387 1 1 17 GLY N N -5.594 -6.401 -0.504 1.00 . A A . 17 GLY N 1 1 10 6388 1 1 17 GLY O O -5.633 -3.543 1.676 1.00 . A A . 17 GLY O 1 1 10 6389 1 1 18 TYR C C -2.692 -2.469 -0.458 1.00 . A A . 18 TYR C 1 1 10 6390 1 1 18 TYR CA C -3.124 -3.335 0.729 1.00 . A A . 18 TYR CA 1 1 10 6391 1 1 18 TYR CB C -1.899 -4.034 1.318 1.00 . A A . 18 TYR CB 1 1 10 6392 1 1 18 TYR CD1 C -2.846 -5.770 2.877 1.00 . A A . 18 TYR CD1 1 1 10 6393 1 1 18 TYR CD2 C -1.875 -3.761 3.820 1.00 . A A . 18 TYR CD2 1 1 10 6394 1 1 18 TYR CE1 C -3.140 -6.231 4.165 1.00 . A A . 18 TYR CE1 1 1 10 6395 1 1 18 TYR CE2 C -2.169 -4.218 5.106 1.00 . A A . 18 TYR CE2 1 1 10 6396 1 1 18 TYR CG C -2.213 -4.537 2.705 1.00 . A A . 18 TYR CG 1 1 10 6397 1 1 18 TYR CZ C -2.801 -5.455 5.280 1.00 . A A . 18 TYR CZ 1 1 10 6398 1 1 18 TYR H H -3.879 -5.057 -0.405 1.00 . A A . 18 TYR H 1 1 10 6399 1 1 18 TYR HA H -3.562 -2.700 1.481 1.00 . A A . 18 TYR HA 1 1 10 6400 1 1 18 TYR HB2 H -1.624 -4.867 0.692 1.00 . A A . 18 TYR HB2 1 1 10 6401 1 1 18 TYR HB3 H -1.085 -3.335 1.369 1.00 . A A . 18 TYR HB3 1 1 10 6402 1 1 18 TYR HD1 H -3.105 -6.367 2.018 1.00 . A A . 18 TYR HD1 1 1 10 6403 1 1 18 TYR HD2 H -1.380 -2.810 3.687 1.00 . A A . 18 TYR HD2 1 1 10 6404 1 1 18 TYR HE1 H -3.628 -7.184 4.300 1.00 . A A . 18 TYR HE1 1 1 10 6405 1 1 18 TYR HE2 H -1.911 -3.614 5.964 1.00 . A A . 18 TYR HE2 1 1 10 6406 1 1 18 TYR HH H -2.997 -6.867 6.547 1.00 . A A . 18 TYR HH 1 1 10 6407 1 1 18 TYR N N -4.128 -4.355 0.306 1.00 . A A . 18 TYR N 1 1 10 6408 1 1 18 TYR O O -2.633 -2.920 -1.586 1.00 . A A . 18 TYR O 1 1 10 6409 1 1 18 TYR OH O -3.091 -5.911 6.549 1.00 . A A . 18 TYR OH 1 1 10 6410 1 1 19 ASN C C -0.499 0.163 -0.946 1.00 . A A . 19 ASN C 1 1 10 6411 1 1 19 ASN CA C -1.924 -0.297 -1.275 1.00 . A A . 19 ASN CA 1 1 10 6412 1 1 19 ASN CB C -2.867 0.909 -1.340 1.00 . A A . 19 ASN CB 1 1 10 6413 1 1 19 ASN CG C -2.289 1.971 -2.275 1.00 . A A . 19 ASN CG 1 1 10 6414 1 1 19 ASN H H -2.425 -0.902 0.729 1.00 . A A . 19 ASN H 1 1 10 6415 1 1 19 ASN HA H -1.925 -0.812 -2.227 1.00 . A A . 19 ASN HA 1 1 10 6416 1 1 19 ASN HB2 H -3.830 0.589 -1.712 1.00 . A A . 19 ASN HB2 1 1 10 6417 1 1 19 ASN HB3 H -2.987 1.326 -0.352 1.00 . A A . 19 ASN HB3 1 1 10 6418 1 1 19 ASN HD21 H -2.743 3.488 -1.065 1.00 . A A . 19 ASN HD21 1 1 10 6419 1 1 19 ASN HD22 H -1.969 3.918 -2.516 1.00 . A A . 19 ASN HD22 1 1 10 6420 1 1 19 ASN N N -2.376 -1.227 -0.196 1.00 . A A . 19 ASN N 1 1 10 6421 1 1 19 ASN ND2 N -2.338 3.230 -1.923 1.00 . A A . 19 ASN ND2 1 1 10 6422 1 1 19 ASN O O -0.077 0.107 0.189 1.00 . A A . 19 ASN O 1 1 10 6423 1 1 19 ASN OD1 O -1.785 1.656 -3.335 1.00 . A A . 19 ASN OD1 1 1 10 6424 1 1 20 CYS C C 1.719 2.528 -1.343 1.00 . A A . 20 CYS C 1 1 10 6425 1 1 20 CYS CA C 1.663 1.028 -1.650 1.00 . A A . 20 CYS CA 1 1 10 6426 1 1 20 CYS CB C 2.524 0.731 -2.881 1.00 . A A . 20 CYS CB 1 1 10 6427 1 1 20 CYS H H -0.093 0.618 -2.839 1.00 . A A . 20 CYS H 1 1 10 6428 1 1 20 CYS HA H 2.057 0.478 -0.807 1.00 . A A . 20 CYS HA 1 1 10 6429 1 1 20 CYS HB2 H 2.328 -0.274 -3.223 1.00 . A A . 20 CYS HB2 1 1 10 6430 1 1 20 CYS HB3 H 2.280 1.433 -3.666 1.00 . A A . 20 CYS HB3 1 1 10 6431 1 1 20 CYS N N 0.256 0.595 -1.924 1.00 . A A . 20 CYS N 1 1 10 6432 1 1 20 CYS O O 1.163 3.345 -2.050 1.00 . A A . 20 CYS O 1 1 10 6433 1 1 20 CYS SG S 4.278 0.885 -2.460 1.00 . A A . 20 CYS SG 1 1 10 6434 1 1 21 VAL C C 4.038 4.676 0.106 1.00 . A A . 21 VAL C 1 1 10 6435 1 1 21 VAL CA C 2.549 4.325 0.093 1.00 . A A . 21 VAL CA 1 1 10 6436 1 1 21 VAL CB C 1.924 4.540 1.487 1.00 . A A . 21 VAL CB 1 1 10 6437 1 1 21 VAL CG1 C 2.788 5.487 2.330 1.00 . A A . 21 VAL CG1 1 1 10 6438 1 1 21 VAL CG2 C 0.531 5.157 1.328 1.00 . A A . 21 VAL CG2 1 1 10 6439 1 1 21 VAL H H 2.858 2.200 0.247 1.00 . A A . 21 VAL H 1 1 10 6440 1 1 21 VAL HA H 2.043 4.946 -0.634 1.00 . A A . 21 VAL HA 1 1 10 6441 1 1 21 VAL HB H 1.841 3.589 1.992 1.00 . A A . 21 VAL HB 1 1 10 6442 1 1 21 VAL HG11 H 3.037 6.364 1.750 1.00 . A A . 21 VAL HG11 1 1 10 6443 1 1 21 VAL HG12 H 3.695 4.981 2.625 1.00 . A A . 21 VAL HG12 1 1 10 6444 1 1 21 VAL HG13 H 2.240 5.783 3.213 1.00 . A A . 21 VAL HG13 1 1 10 6445 1 1 21 VAL HG21 H 0.606 6.079 0.770 1.00 . A A . 21 VAL HG21 1 1 10 6446 1 1 21 VAL HG22 H 0.115 5.363 2.303 1.00 . A A . 21 VAL HG22 1 1 10 6447 1 1 21 VAL HG23 H -0.109 4.468 0.799 1.00 . A A . 21 VAL HG23 1 1 10 6448 1 1 21 VAL N N 2.411 2.887 -0.292 1.00 . A A . 21 VAL N 1 1 10 6449 1 1 21 VAL O O 4.845 3.963 0.667 1.00 . A A . 21 VAL O 1 1 10 6450 1 1 22 TYR C C 6.335 6.363 0.893 1.00 . A A . 22 TYR C 1 1 10 6451 1 1 22 TYR CA C 5.854 6.137 -0.540 1.00 . A A . 22 TYR CA 1 1 10 6452 1 1 22 TYR CB C 6.032 7.425 -1.351 1.00 . A A . 22 TYR CB 1 1 10 6453 1 1 22 TYR CD1 C 8.530 7.578 -0.938 1.00 . A A . 22 TYR CD1 1 1 10 6454 1 1 22 TYR CD2 C 7.713 7.625 -3.221 1.00 . A A . 22 TYR CD2 1 1 10 6455 1 1 22 TYR CE1 C 9.847 7.692 -1.408 1.00 . A A . 22 TYR CE1 1 1 10 6456 1 1 22 TYR CE2 C 9.027 7.745 -3.690 1.00 . A A . 22 TYR CE2 1 1 10 6457 1 1 22 TYR CG C 7.462 7.544 -1.846 1.00 . A A . 22 TYR CG 1 1 10 6458 1 1 22 TYR CZ C 10.095 7.778 -2.785 1.00 . A A . 22 TYR CZ 1 1 10 6459 1 1 22 TYR H H 3.714 6.360 -0.980 1.00 . A A . 22 TYR H 1 1 10 6460 1 1 22 TYR HA H 6.426 5.341 -0.994 1.00 . A A . 22 TYR HA 1 1 10 6461 1 1 22 TYR HB2 H 5.360 7.408 -2.196 1.00 . A A . 22 TYR HB2 1 1 10 6462 1 1 22 TYR HB3 H 5.796 8.275 -0.727 1.00 . A A . 22 TYR HB3 1 1 10 6463 1 1 22 TYR HD1 H 8.344 7.512 0.118 1.00 . A A . 22 TYR HD1 1 1 10 6464 1 1 22 TYR HD2 H 6.891 7.594 -3.920 1.00 . A A . 22 TYR HD2 1 1 10 6465 1 1 22 TYR HE1 H 10.673 7.715 -0.703 1.00 . A A . 22 TYR HE1 1 1 10 6466 1 1 22 TYR HE2 H 9.220 7.808 -4.751 1.00 . A A . 22 TYR HE2 1 1 10 6467 1 1 22 TYR HH H 11.929 7.246 -2.798 1.00 . A A . 22 TYR HH 1 1 10 6468 1 1 22 TYR N N 4.413 5.764 -0.512 1.00 . A A . 22 TYR N 1 1 10 6469 1 1 22 TYR O O 5.764 7.135 1.638 1.00 . A A . 22 TYR O 1 1 10 6470 1 1 22 TYR OH O 11.389 7.899 -3.249 1.00 . A A . 22 TYR OH 1 1 10 6471 1 1 23 ALA C C 9.294 6.531 2.605 1.00 . A A . 23 ALA C 1 1 10 6472 1 1 23 ALA CA C 7.920 5.857 2.665 1.00 . A A . 23 ALA CA 1 1 10 6473 1 1 23 ALA CB C 8.054 4.477 3.318 1.00 . A A . 23 ALA CB 1 1 10 6474 1 1 23 ALA H H 7.828 5.075 0.661 1.00 . A A . 23 ALA H 1 1 10 6475 1 1 23 ALA HA H 7.246 6.467 3.247 1.00 . A A . 23 ALA HA 1 1 10 6476 1 1 23 ALA HB1 H 7.274 3.827 2.948 1.00 . A A . 23 ALA HB1 1 1 10 6477 1 1 23 ALA HB2 H 7.961 4.575 4.387 1.00 . A A . 23 ALA HB2 1 1 10 6478 1 1 23 ALA HB3 H 9.018 4.052 3.078 1.00 . A A . 23 ALA HB3 1 1 10 6479 1 1 23 ALA N N 7.386 5.691 1.283 1.00 . A A . 23 ALA N 1 1 10 6480 1 1 23 ALA O O 10.266 5.934 2.185 1.00 . A A . 23 ALA O 1 1 10 6481 1 1 24 TRP C C 11.744 7.610 3.723 1.00 . A A . 24 TRP C 1 1 10 6482 1 1 24 TRP CA C 10.707 8.456 2.981 1.00 . A A . 24 TRP CA 1 1 10 6483 1 1 24 TRP CB C 10.597 9.835 3.639 1.00 . A A . 24 TRP CB 1 1 10 6484 1 1 24 TRP CD1 C 9.964 9.346 6.039 1.00 . A A . 24 TRP CD1 1 1 10 6485 1 1 24 TRP CD2 C 12.117 9.964 5.817 1.00 . A A . 24 TRP CD2 1 1 10 6486 1 1 24 TRP CE2 C 11.903 9.720 7.195 1.00 . A A . 24 TRP CE2 1 1 10 6487 1 1 24 TRP CE3 C 13.398 10.370 5.406 1.00 . A A . 24 TRP CE3 1 1 10 6488 1 1 24 TRP CG C 10.869 9.719 5.106 1.00 . A A . 24 TRP CG 1 1 10 6489 1 1 24 TRP CH2 C 14.195 10.279 7.706 1.00 . A A . 24 TRP CH2 1 1 10 6490 1 1 24 TRP CZ2 C 12.927 9.873 8.132 1.00 . A A . 24 TRP CZ2 1 1 10 6491 1 1 24 TRP CZ3 C 14.431 10.527 6.346 1.00 . A A . 24 TRP CZ3 1 1 10 6492 1 1 24 TRP H H 8.596 8.233 3.358 1.00 . A A . 24 TRP H 1 1 10 6493 1 1 24 TRP HA H 11.015 8.575 1.951 1.00 . A A . 24 TRP HA 1 1 10 6494 1 1 24 TRP HB2 H 11.317 10.503 3.191 1.00 . A A . 24 TRP HB2 1 1 10 6495 1 1 24 TRP HB3 H 9.604 10.225 3.484 1.00 . A A . 24 TRP HB3 1 1 10 6496 1 1 24 TRP HD1 H 8.933 9.089 5.847 1.00 . A A . 24 TRP HD1 1 1 10 6497 1 1 24 TRP HE1 H 10.141 9.112 8.126 1.00 . A A . 24 TRP HE1 1 1 10 6498 1 1 24 TRP HE3 H 13.591 10.564 4.361 1.00 . A A . 24 TRP HE3 1 1 10 6499 1 1 24 TRP HH2 H 14.993 10.400 8.423 1.00 . A A . 24 TRP HH2 1 1 10 6500 1 1 24 TRP HZ2 H 12.741 9.680 9.177 1.00 . A A . 24 TRP HZ2 1 1 10 6501 1 1 24 TRP HZ3 H 15.411 10.840 6.019 1.00 . A A . 24 TRP HZ3 1 1 10 6502 1 1 24 TRP N N 9.388 7.765 3.020 1.00 . A A . 24 TRP N 1 1 10 6503 1 1 24 TRP NE1 N 10.577 9.346 7.279 1.00 . A A . 24 TRP NE1 1 1 10 6504 1 1 24 TRP O O 12.883 7.511 3.312 1.00 . A A . 24 TRP O 1 1 10 6505 1 1 25 TYR C C 12.638 4.905 4.785 1.00 . A A . 25 TYR C 1 1 10 6506 1 1 25 TYR CA C 12.345 6.182 5.577 1.00 . A A . 25 TYR CA 1 1 10 6507 1 1 25 TYR CB C 11.798 5.859 6.979 1.00 . A A . 25 TYR CB 1 1 10 6508 1 1 25 TYR CD1 C 11.313 3.387 7.121 1.00 . A A . 25 TYR CD1 1 1 10 6509 1 1 25 TYR CD2 C 9.464 4.914 6.757 1.00 . A A . 25 TYR CD2 1 1 10 6510 1 1 25 TYR CE1 C 10.424 2.306 7.107 1.00 . A A . 25 TYR CE1 1 1 10 6511 1 1 25 TYR CE2 C 8.574 3.831 6.742 1.00 . A A . 25 TYR CE2 1 1 10 6512 1 1 25 TYR CG C 10.835 4.690 6.945 1.00 . A A . 25 TYR CG 1 1 10 6513 1 1 25 TYR CZ C 9.055 2.526 6.917 1.00 . A A . 25 TYR CZ 1 1 10 6514 1 1 25 TYR H H 10.394 7.095 5.156 1.00 . A A . 25 TYR H 1 1 10 6515 1 1 25 TYR HA H 13.260 6.744 5.678 1.00 . A A . 25 TYR HA 1 1 10 6516 1 1 25 TYR HB2 H 12.624 5.614 7.629 1.00 . A A . 25 TYR HB2 1 1 10 6517 1 1 25 TYR HB3 H 11.289 6.728 7.368 1.00 . A A . 25 TYR HB3 1 1 10 6518 1 1 25 TYR HD1 H 12.369 3.219 7.271 1.00 . A A . 25 TYR HD1 1 1 10 6519 1 1 25 TYR HD2 H 9.095 5.920 6.622 1.00 . A A . 25 TYR HD2 1 1 10 6520 1 1 25 TYR HE1 H 10.796 1.303 7.241 1.00 . A A . 25 TYR HE1 1 1 10 6521 1 1 25 TYR HE2 H 7.520 3.999 6.600 1.00 . A A . 25 TYR HE2 1 1 10 6522 1 1 25 TYR HH H 8.173 1.087 6.024 1.00 . A A . 25 TYR HH 1 1 10 6523 1 1 25 TYR N N 11.363 7.004 4.820 1.00 . A A . 25 TYR N 1 1 10 6524 1 1 25 TYR O O 11.771 4.338 4.155 1.00 . A A . 25 TYR O 1 1 10 6525 1 1 25 TYR OH O 8.180 1.461 6.908 1.00 . A A . 25 TYR OH 1 1 10 6526 1 1 26 ASN C C 14.176 3.597 2.517 1.00 . A A . 26 ASN C 1 1 10 6527 1 1 26 ASN CA C 14.242 3.258 4.012 1.00 . A A . 26 ASN CA 1 1 10 6528 1 1 26 ASN CB C 13.261 2.116 4.327 1.00 . A A . 26 ASN CB 1 1 10 6529 1 1 26 ASN CG C 14.013 0.782 4.349 1.00 . A A . 26 ASN CG 1 1 10 6530 1 1 26 ASN H H 14.554 4.963 5.284 1.00 . A A . 26 ASN H 1 1 10 6531 1 1 26 ASN HA H 15.248 2.958 4.272 1.00 . A A . 26 ASN HA 1 1 10 6532 1 1 26 ASN HB2 H 12.810 2.288 5.292 1.00 . A A . 26 ASN HB2 1 1 10 6533 1 1 26 ASN HB3 H 12.489 2.078 3.574 1.00 . A A . 26 ASN HB3 1 1 10 6534 1 1 26 ASN HD21 H 14.804 1.100 6.141 1.00 . A A . 26 ASN HD21 1 1 10 6535 1 1 26 ASN HD22 H 15.228 -0.373 5.409 1.00 . A A . 26 ASN HD22 1 1 10 6536 1 1 26 ASN N N 13.868 4.472 4.788 1.00 . A A . 26 ASN N 1 1 10 6537 1 1 26 ASN ND2 N 14.741 0.477 5.386 1.00 . A A . 26 ASN ND2 1 1 10 6538 1 1 26 ASN O O 14.526 2.797 1.673 1.00 . A A . 26 ASN O 1 1 10 6539 1 1 26 ASN OD1 O 13.937 0.013 3.410 1.00 . A A . 26 ASN OD1 1 1 10 6540 1 1 27 GLN C C 12.753 4.207 0.030 1.00 . A A . 27 GLN C 1 1 10 6541 1 1 27 GLN CA C 13.642 5.193 0.761 1.00 . A A . 27 GLN CA 1 1 10 6542 1 1 27 GLN CB C 15.040 5.222 0.121 1.00 . A A . 27 GLN CB 1 1 10 6543 1 1 27 GLN CD C 13.990 7.097 -1.208 1.00 . A A . 27 GLN CD 1 1 10 6544 1 1 27 GLN CG C 15.290 6.569 -0.586 1.00 . A A . 27 GLN CG 1 1 10 6545 1 1 27 GLN H H 13.460 5.415 2.890 1.00 . A A . 27 GLN H 1 1 10 6546 1 1 27 GLN HA H 13.197 6.174 0.715 1.00 . A A . 27 GLN HA 1 1 10 6547 1 1 27 GLN HB2 H 15.784 5.087 0.895 1.00 . A A . 27 GLN HB2 1 1 10 6548 1 1 27 GLN HB3 H 15.130 4.420 -0.597 1.00 . A A . 27 GLN HB3 1 1 10 6549 1 1 27 GLN HE21 H 13.809 8.586 0.101 1.00 . A A . 27 GLN HE21 1 1 10 6550 1 1 27 GLN HE22 H 12.577 8.491 -1.061 1.00 . A A . 27 GLN HE22 1 1 10 6551 1 1 27 GLN HG2 H 15.664 7.287 0.126 1.00 . A A . 27 GLN HG2 1 1 10 6552 1 1 27 GLN HG3 H 16.021 6.426 -1.367 1.00 . A A . 27 GLN HG3 1 1 10 6553 1 1 27 GLN N N 13.735 4.786 2.191 1.00 . A A . 27 GLN N 1 1 10 6554 1 1 27 GLN NE2 N 13.411 8.146 -0.681 1.00 . A A . 27 GLN NE2 1 1 10 6555 1 1 27 GLN O O 12.761 4.158 -1.210 1.00 . A A . 27 GLN O 1 1 10 6556 1 1 27 GLN OE1 O 13.490 6.547 -2.170 1.00 . A A . 27 GLN OE1 1 1 10 6557 1 1 28 GLN C C 9.639 2.885 0.289 1.00 . A A . 28 GLN C 1 1 10 6558 1 1 28 GLN CA C 11.075 2.463 0.037 1.00 . A A . 28 GLN CA 1 1 10 6559 1 1 28 GLN CB C 11.290 1.058 0.608 1.00 . A A . 28 GLN CB 1 1 10 6560 1 1 28 GLN CD C 12.904 -0.827 0.850 1.00 . A A . 28 GLN CD 1 1 10 6561 1 1 28 GLN CG C 12.665 0.533 0.191 1.00 . A A . 28 GLN CG 1 1 10 6562 1 1 28 GLN H H 11.983 3.500 1.689 1.00 . A A . 28 GLN H 1 1 10 6563 1 1 28 GLN HA H 11.268 2.454 -1.026 1.00 . A A . 28 GLN HA 1 1 10 6564 1 1 28 GLN HB2 H 11.232 1.096 1.686 1.00 . A A . 28 GLN HB2 1 1 10 6565 1 1 28 GLN HB3 H 10.526 0.397 0.228 1.00 . A A . 28 GLN HB3 1 1 10 6566 1 1 28 GLN HE21 H 13.961 -1.544 -0.670 1.00 . A A . 28 GLN HE21 1 1 10 6567 1 1 28 GLN HE22 H 13.756 -2.608 0.635 1.00 . A A . 28 GLN HE22 1 1 10 6568 1 1 28 GLN HG2 H 12.699 0.428 -0.884 1.00 . A A . 28 GLN HG2 1 1 10 6569 1 1 28 GLN HG3 H 13.425 1.225 0.512 1.00 . A A . 28 GLN HG3 1 1 10 6570 1 1 28 GLN N N 11.979 3.434 0.711 1.00 . A A . 28 GLN N 1 1 10 6571 1 1 28 GLN NE2 N 13.598 -1.735 0.219 1.00 . A A . 28 GLN NE2 1 1 10 6572 1 1 28 GLN O O 9.378 3.942 0.828 1.00 . A A . 28 GLN O 1 1 10 6573 1 1 28 GLN OE1 O 12.455 -1.066 1.952 1.00 . A A . 28 GLN OE1 1 1 10 6574 1 1 29 SER C C 6.651 1.307 0.985 1.00 . A A . 29 SER C 1 1 10 6575 1 1 29 SER CA C 7.277 2.401 0.122 1.00 . A A . 29 SER CA 1 1 10 6576 1 1 29 SER CB C 6.585 2.457 -1.230 1.00 . A A . 29 SER CB 1 1 10 6577 1 1 29 SER H H 8.950 1.219 -0.520 1.00 . A A . 29 SER H 1 1 10 6578 1 1 29 SER HA H 7.186 3.356 0.620 1.00 . A A . 29 SER HA 1 1 10 6579 1 1 29 SER HB2 H 6.660 1.497 -1.708 1.00 . A A . 29 SER HB2 1 1 10 6580 1 1 29 SER HB3 H 5.551 2.706 -1.082 1.00 . A A . 29 SER HB3 1 1 10 6581 1 1 29 SER HG H 6.545 4.057 -2.336 1.00 . A A . 29 SER HG 1 1 10 6582 1 1 29 SER N N 8.708 2.066 -0.091 1.00 . A A . 29 SER N 1 1 10 6583 1 1 29 SER O O 6.930 0.145 0.803 1.00 . A A . 29 SER O 1 1 10 6584 1 1 29 SER OG O 7.217 3.436 -2.044 1.00 . A A . 29 SER OG 1 1 10 6585 1 1 30 SER C C 3.763 0.380 2.443 1.00 . A A . 30 SER C 1 1 10 6586 1 1 30 SER CA C 5.215 0.654 2.827 1.00 . A A . 30 SER CA 1 1 10 6587 1 1 30 SER CB C 5.257 1.166 4.266 1.00 . A A . 30 SER CB 1 1 10 6588 1 1 30 SER H H 5.625 2.601 2.068 1.00 . A A . 30 SER H 1 1 10 6589 1 1 30 SER HA H 5.780 -0.245 2.760 1.00 . A A . 30 SER HA 1 1 10 6590 1 1 30 SER HB2 H 4.978 0.374 4.941 1.00 . A A . 30 SER HB2 1 1 10 6591 1 1 30 SER HB3 H 6.259 1.500 4.500 1.00 . A A . 30 SER HB3 1 1 10 6592 1 1 30 SER HG H 4.616 2.777 5.150 1.00 . A A . 30 SER HG 1 1 10 6593 1 1 30 SER N N 5.825 1.670 1.933 1.00 . A A . 30 SER N 1 1 10 6594 1 1 30 SER O O 3.009 1.280 2.129 1.00 . A A . 30 SER O 1 1 10 6595 1 1 30 SER OG O 4.338 2.243 4.402 1.00 . A A . 30 SER OG 1 1 10 6596 1 1 31 CYS C C 1.023 -0.692 3.260 1.00 . A A . 31 CYS C 1 1 10 6597 1 1 31 CYS CA C 1.949 -1.195 2.152 1.00 . A A . 31 CYS CA 1 1 10 6598 1 1 31 CYS CB C 1.782 -2.707 1.989 1.00 . A A . 31 CYS CB 1 1 10 6599 1 1 31 CYS H H 3.978 -1.572 2.763 1.00 . A A . 31 CYS H 1 1 10 6600 1 1 31 CYS HA H 1.690 -0.708 1.226 1.00 . A A . 31 CYS HA 1 1 10 6601 1 1 31 CYS HB2 H 2.220 -3.205 2.837 1.00 . A A . 31 CYS HB2 1 1 10 6602 1 1 31 CYS HB3 H 0.737 -2.949 1.937 1.00 . A A . 31 CYS HB3 1 1 10 6603 1 1 31 CYS N N 3.358 -0.863 2.489 1.00 . A A . 31 CYS N 1 1 10 6604 1 1 31 CYS O O 1.405 -0.583 4.407 1.00 . A A . 31 CYS O 1 1 10 6605 1 1 31 CYS SG S 2.610 -3.262 0.478 1.00 . A A . 31 CYS SG 1 1 10 6606 1 1 32 GLU C C -2.555 -0.361 3.528 1.00 . A A . 32 GLU C 1 1 10 6607 1 1 32 GLU CA C -1.164 0.116 3.927 1.00 . A A . 32 GLU CA 1 1 10 6608 1 1 32 GLU CB C -1.106 1.655 3.971 1.00 . A A . 32 GLU CB 1 1 10 6609 1 1 32 GLU CD C -2.123 2.372 1.790 1.00 . A A . 32 GLU CD 1 1 10 6610 1 1 32 GLU CG C -0.817 2.203 2.576 1.00 . A A . 32 GLU CG 1 1 10 6611 1 1 32 GLU H H -0.473 -0.482 1.983 1.00 . A A . 32 GLU H 1 1 10 6612 1 1 32 GLU HA H -0.924 -0.273 4.892 1.00 . A A . 32 GLU HA 1 1 10 6613 1 1 32 GLU HB2 H -2.040 2.056 4.329 1.00 . A A . 32 GLU HB2 1 1 10 6614 1 1 32 GLU HB3 H -0.314 1.959 4.640 1.00 . A A . 32 GLU HB3 1 1 10 6615 1 1 32 GLU HG2 H -0.328 3.159 2.668 1.00 . A A . 32 GLU HG2 1 1 10 6616 1 1 32 GLU HG3 H -0.172 1.518 2.052 1.00 . A A . 32 GLU HG3 1 1 10 6617 1 1 32 GLU N N -0.193 -0.385 2.917 1.00 . A A . 32 GLU N 1 1 10 6618 1 1 32 GLU O O -2.706 -1.328 2.816 1.00 . A A . 32 GLU O 1 1 10 6619 1 1 32 GLU OE1 O -3.063 1.650 2.070 1.00 . A A . 32 GLU OE1 1 1 10 6620 1 1 32 GLU OE2 O -2.158 3.225 0.920 1.00 . A A . 32 GLU OE2 1 1 10 6621 1 1 33 ARG C C -5.878 1.106 3.752 1.00 . A A . 33 ARG C 1 1 10 6622 1 1 33 ARG CA C -4.951 -0.105 3.617 1.00 . A A . 33 ARG CA 1 1 10 6623 1 1 33 ARG CB C -5.381 -1.246 4.560 1.00 . A A . 33 ARG CB 1 1 10 6624 1 1 33 ARG CD C -6.922 -0.174 6.233 1.00 . A A . 33 ARG CD 1 1 10 6625 1 1 33 ARG CG C -6.846 -1.077 4.996 1.00 . A A . 33 ARG CG 1 1 10 6626 1 1 33 ARG CZ C -6.895 -0.546 8.623 1.00 . A A . 33 ARG CZ 1 1 10 6627 1 1 33 ARG H H -3.417 1.073 4.551 1.00 . A A . 33 ARG H 1 1 10 6628 1 1 33 ARG HA H -4.969 -0.456 2.595 1.00 . A A . 33 ARG HA 1 1 10 6629 1 1 33 ARG HB2 H -5.268 -2.188 4.046 1.00 . A A . 33 ARG HB2 1 1 10 6630 1 1 33 ARG HB3 H -4.743 -1.242 5.431 1.00 . A A . 33 ARG HB3 1 1 10 6631 1 1 33 ARG HD2 H -5.991 0.362 6.353 1.00 . A A . 33 ARG HD2 1 1 10 6632 1 1 33 ARG HD3 H -7.729 0.533 6.117 1.00 . A A . 33 ARG HD3 1 1 10 6633 1 1 33 ARG HE H -7.482 -1.938 7.338 1.00 . A A . 33 ARG HE 1 1 10 6634 1 1 33 ARG HG2 H -7.421 -0.642 4.194 1.00 . A A . 33 ARG HG2 1 1 10 6635 1 1 33 ARG HG3 H -7.256 -2.046 5.241 1.00 . A A . 33 ARG HG3 1 1 10 6636 1 1 33 ARG HH11 H -6.416 1.275 7.944 1.00 . A A . 33 ARG HH11 1 1 10 6637 1 1 33 ARG HH12 H -6.306 1.063 9.659 1.00 . A A . 33 ARG HH12 1 1 10 6638 1 1 33 ARG HH21 H -7.333 -2.255 9.571 1.00 . A A . 33 ARG HH21 1 1 10 6639 1 1 33 ARG HH22 H -6.824 -0.944 10.584 1.00 . A A . 33 ARG HH22 1 1 10 6640 1 1 33 ARG N N -3.567 0.309 3.972 1.00 . A A . 33 ARG N 1 1 10 6641 1 1 33 ARG NE N -7.158 -1.019 7.437 1.00 . A A . 33 ARG NE 1 1 10 6642 1 1 33 ARG NH1 N -6.509 0.693 8.753 1.00 . A A . 33 ARG NH1 1 1 10 6643 1 1 33 ARG NH2 N -7.029 -1.307 9.674 1.00 . A A . 33 ARG NH2 1 1 10 6644 1 1 33 ARG O O -5.909 1.792 4.755 1.00 . A A . 33 ARG O 1 1 10 6645 1 1 34 LYS C C -8.900 2.055 2.241 1.00 . A A . 34 LYS C 1 1 10 6646 1 1 34 LYS CA C -7.517 2.542 2.673 1.00 . A A . 34 LYS CA 1 1 10 6647 1 1 34 LYS CB C -6.976 3.557 1.661 1.00 . A A . 34 LYS CB 1 1 10 6648 1 1 34 LYS CD C -5.480 4.976 3.104 1.00 . A A . 34 LYS CD 1 1 10 6649 1 1 34 LYS CE C -4.055 5.077 3.654 1.00 . A A . 34 LYS CE 1 1 10 6650 1 1 34 LYS CG C -5.523 3.907 2.013 1.00 . A A . 34 LYS CG 1 1 10 6651 1 1 34 LYS H H -6.531 0.831 1.917 1.00 . A A . 34 LYS H 1 1 10 6652 1 1 34 LYS HA H -7.571 2.977 3.642 1.00 . A A . 34 LYS HA 1 1 10 6653 1 1 34 LYS HB2 H -7.014 3.132 0.669 1.00 . A A . 34 LYS HB2 1 1 10 6654 1 1 34 LYS HB3 H -7.578 4.454 1.691 1.00 . A A . 34 LYS HB3 1 1 10 6655 1 1 34 LYS HD2 H -5.767 5.928 2.681 1.00 . A A . 34 LYS HD2 1 1 10 6656 1 1 34 LYS HD3 H -6.155 4.714 3.900 1.00 . A A . 34 LYS HD3 1 1 10 6657 1 1 34 LYS HE2 H -3.816 4.175 4.198 1.00 . A A . 34 LYS HE2 1 1 10 6658 1 1 34 LYS HE3 H -3.361 5.199 2.837 1.00 . A A . 34 LYS HE3 1 1 10 6659 1 1 34 LYS HG2 H -5.018 3.021 2.367 1.00 . A A . 34 LYS HG2 1 1 10 6660 1 1 34 LYS HG3 H -5.020 4.276 1.132 1.00 . A A . 34 LYS HG3 1 1 10 6661 1 1 34 LYS HZ1 H -3.123 6.812 4.321 1.00 . A A . 34 LYS HZ1 1 1 10 6662 1 1 34 LYS HZ2 H -3.875 5.917 5.551 1.00 . A A . 34 LYS HZ2 1 1 10 6663 1 1 34 LYS HZ3 H -4.814 6.834 4.471 1.00 . A A . 34 LYS HZ3 1 1 10 6664 1 1 34 LYS N N -6.604 1.383 2.702 1.00 . A A . 34 LYS N 1 1 10 6665 1 1 34 LYS NZ N -3.960 6.248 4.568 1.00 . A A . 34 LYS NZ 1 1 10 6666 1 1 34 LYS O O -9.699 2.794 1.703 1.00 . A A . 34 LYS O 1 1 10 6667 1 1 35 TRP C C -11.179 -0.318 3.325 1.00 . A A . 35 TRP C 1 1 10 6668 1 1 35 TRP CA C -10.475 0.208 2.066 1.00 . A A . 35 TRP CA 1 1 10 6669 1 1 35 TRP CB C -10.205 -0.952 1.104 1.00 . A A . 35 TRP CB 1 1 10 6670 1 1 35 TRP CD1 C -7.943 -1.631 2.003 1.00 . A A . 35 TRP CD1 1 1 10 6671 1 1 35 TRP CD2 C -9.483 -3.250 2.242 1.00 . A A . 35 TRP CD2 1 1 10 6672 1 1 35 TRP CE2 C -8.285 -3.748 2.800 1.00 . A A . 35 TRP CE2 1 1 10 6673 1 1 35 TRP CE3 C -10.617 -4.080 2.258 1.00 . A A . 35 TRP CE3 1 1 10 6674 1 1 35 TRP CG C -9.244 -1.898 1.753 1.00 . A A . 35 TRP CG 1 1 10 6675 1 1 35 TRP CH2 C -9.352 -5.838 3.369 1.00 . A A . 35 TRP CH2 1 1 10 6676 1 1 35 TRP CZ2 C -8.214 -5.027 3.360 1.00 . A A . 35 TRP CZ2 1 1 10 6677 1 1 35 TRP CZ3 C -10.550 -5.368 2.817 1.00 . A A . 35 TRP CZ3 1 1 10 6678 1 1 35 TRP H H -8.490 0.230 2.882 1.00 . A A . 35 TRP H 1 1 10 6679 1 1 35 TRP HA H -11.090 0.952 1.581 1.00 . A A . 35 TRP HA 1 1 10 6680 1 1 35 TRP HB2 H -11.130 -1.464 0.887 1.00 . A A . 35 TRP HB2 1 1 10 6681 1 1 35 TRP HB3 H -9.776 -0.573 0.188 1.00 . A A . 35 TRP HB3 1 1 10 6682 1 1 35 TRP HD1 H -7.433 -0.709 1.765 1.00 . A A . 35 TRP HD1 1 1 10 6683 1 1 35 TRP HE1 H -6.446 -2.782 2.934 1.00 . A A . 35 TRP HE1 1 1 10 6684 1 1 35 TRP HE3 H -11.539 -3.729 1.828 1.00 . A A . 35 TRP HE3 1 1 10 6685 1 1 35 TRP HH2 H -9.307 -6.829 3.799 1.00 . A A . 35 TRP HH2 1 1 10 6686 1 1 35 TRP HZ2 H -7.287 -5.387 3.783 1.00 . A A . 35 TRP HZ2 1 1 10 6687 1 1 35 TRP HZ3 H -11.429 -5.996 2.827 1.00 . A A . 35 TRP HZ3 1 1 10 6688 1 1 35 TRP N N -9.167 0.798 2.462 1.00 . A A . 35 TRP N 1 1 10 6689 1 1 35 TRP NE1 N -7.377 -2.722 2.637 1.00 . A A . 35 TRP NE1 1 1 10 6690 1 1 35 TRP O O -10.784 -0.010 4.431 1.00 . A A . 35 TRP O 1 1 10 6691 1 1 36 LYS C C -13.939 -2.713 3.930 1.00 . A A . 36 LYS C 1 1 10 6692 1 1 36 LYS CA C -12.915 -1.663 4.370 1.00 . A A . 36 LYS CA 1 1 10 6693 1 1 36 LYS CB C -13.660 -0.545 5.110 1.00 . A A . 36 LYS CB 1 1 10 6694 1 1 36 LYS CD C -15.333 -0.383 6.992 1.00 . A A . 36 LYS CD 1 1 10 6695 1 1 36 LYS CE C -15.646 -0.840 8.423 1.00 . A A . 36 LYS CE 1 1 10 6696 1 1 36 LYS CG C -14.023 -1.029 6.523 1.00 . A A . 36 LYS CG 1 1 10 6697 1 1 36 LYS H H -12.504 -1.362 2.274 1.00 . A A . 36 LYS H 1 1 10 6698 1 1 36 LYS HA H -12.198 -2.119 5.035 1.00 . A A . 36 LYS HA 1 1 10 6699 1 1 36 LYS HB2 H -13.020 0.325 5.179 1.00 . A A . 36 LYS HB2 1 1 10 6700 1 1 36 LYS HB3 H -14.560 -0.290 4.570 1.00 . A A . 36 LYS HB3 1 1 10 6701 1 1 36 LYS HD2 H -15.234 0.692 6.968 1.00 . A A . 36 LYS HD2 1 1 10 6702 1 1 36 LYS HD3 H -16.137 -0.685 6.338 1.00 . A A . 36 LYS HD3 1 1 10 6703 1 1 36 LYS HE2 H -15.347 -1.870 8.549 1.00 . A A . 36 LYS HE2 1 1 10 6704 1 1 36 LYS HE3 H -15.104 -0.221 9.125 1.00 . A A . 36 LYS HE3 1 1 10 6705 1 1 36 LYS HG2 H -14.137 -2.104 6.519 1.00 . A A . 36 LYS HG2 1 1 10 6706 1 1 36 LYS HG3 H -13.232 -0.760 7.203 1.00 . A A . 36 LYS HG3 1 1 10 6707 1 1 36 LYS HZ1 H -17.637 -1.106 7.876 1.00 . A A . 36 LYS HZ1 1 1 10 6708 1 1 36 LYS HZ2 H -17.360 0.286 8.803 1.00 . A A . 36 LYS HZ2 1 1 10 6709 1 1 36 LYS HZ3 H -17.357 -1.242 9.545 1.00 . A A . 36 LYS HZ3 1 1 10 6710 1 1 36 LYS N N -12.206 -1.117 3.172 1.00 . A A . 36 LYS N 1 1 10 6711 1 1 36 LYS NZ N -17.111 -0.715 8.681 1.00 . A A . 36 LYS NZ 1 1 10 6712 1 1 36 LYS O O -15.025 -2.781 4.465 1.00 . A A . 36 LYS O 1 1 10 6713 1 1 37 TYR C C -14.965 -4.229 1.025 1.00 . A A . 37 TYR C 1 1 10 6714 1 1 37 TYR CA C -14.467 -4.614 2.426 1.00 . A A . 37 TYR CA 1 1 10 6715 1 1 37 TYR CB C -15.679 -4.904 3.343 1.00 . A A . 37 TYR CB 1 1 10 6716 1 1 37 TYR CD1 C -14.567 -5.661 5.488 1.00 . A A . 37 TYR CD1 1 1 10 6717 1 1 37 TYR CD2 C -15.736 -7.300 4.134 1.00 . A A . 37 TYR CD2 1 1 10 6718 1 1 37 TYR CE1 C -14.238 -6.664 6.412 1.00 . A A . 37 TYR CE1 1 1 10 6719 1 1 37 TYR CE2 C -15.409 -8.298 5.056 1.00 . A A . 37 TYR CE2 1 1 10 6720 1 1 37 TYR CG C -15.317 -5.979 4.348 1.00 . A A . 37 TYR CG 1 1 10 6721 1 1 37 TYR CZ C -14.660 -7.982 6.193 1.00 . A A . 37 TYR CZ 1 1 10 6722 1 1 37 TYR H H -12.638 -3.406 2.555 1.00 . A A . 37 TYR H 1 1 10 6723 1 1 37 TYR HA H -13.874 -5.513 2.333 1.00 . A A . 37 TYR HA 1 1 10 6724 1 1 37 TYR HB2 H -15.984 -4.014 3.859 1.00 . A A . 37 TYR HB2 1 1 10 6725 1 1 37 TYR HB3 H -16.503 -5.259 2.740 1.00 . A A . 37 TYR HB3 1 1 10 6726 1 1 37 TYR HD1 H -14.240 -4.647 5.657 1.00 . A A . 37 TYR HD1 1 1 10 6727 1 1 37 TYR HD2 H -16.314 -7.547 3.256 1.00 . A A . 37 TYR HD2 1 1 10 6728 1 1 37 TYR HE1 H -13.660 -6.422 7.291 1.00 . A A . 37 TYR HE1 1 1 10 6729 1 1 37 TYR HE2 H -15.731 -9.314 4.889 1.00 . A A . 37 TYR HE2 1 1 10 6730 1 1 37 TYR HH H -14.834 -9.762 6.861 1.00 . A A . 37 TYR HH 1 1 10 6731 1 1 37 TYR N N -13.577 -3.522 2.964 1.00 . A A . 37 TYR N 1 1 10 6732 1 1 37 TYR O O -16.062 -4.574 0.634 1.00 . A A . 37 TYR O 1 1 10 6733 1 1 37 TYR OH O -14.343 -8.971 7.101 1.00 . A A . 37 TYR OH 1 1 10 6734 1 1 38 LEU C C -14.870 -4.418 -1.917 1.00 . A A . 38 LEU C 1 1 10 6735 1 1 38 LEU CA C -14.631 -3.146 -1.101 1.00 . A A . 38 LEU CA 1 1 10 6736 1 1 38 LEU CB C -13.550 -2.304 -1.786 1.00 . A A . 38 LEU CB 1 1 10 6737 1 1 38 LEU CD1 C -12.165 -0.225 -1.575 1.00 . A A . 38 LEU CD1 1 1 10 6738 1 1 38 LEU CD2 C -14.651 -0.068 -1.459 1.00 . A A . 38 LEU CD2 1 1 10 6739 1 1 38 LEU CG C -13.438 -0.937 -1.100 1.00 . A A . 38 LEU CG 1 1 10 6740 1 1 38 LEU H H -13.297 -3.251 0.569 1.00 . A A . 38 LEU H 1 1 10 6741 1 1 38 LEU HA H -15.539 -2.586 -1.023 1.00 . A A . 38 LEU HA 1 1 10 6742 1 1 38 LEU HB2 H -12.603 -2.820 -1.719 1.00 . A A . 38 LEU HB2 1 1 10 6743 1 1 38 LEU HB3 H -13.809 -2.164 -2.824 1.00 . A A . 38 LEU HB3 1 1 10 6744 1 1 38 LEU HD11 H -11.900 0.543 -0.866 1.00 . A A . 38 LEU HD11 1 1 10 6745 1 1 38 LEU HD12 H -12.340 0.222 -2.541 1.00 . A A . 38 LEU HD12 1 1 10 6746 1 1 38 LEU HD13 H -11.357 -0.938 -1.650 1.00 . A A . 38 LEU HD13 1 1 10 6747 1 1 38 LEU HD21 H -14.722 0.028 -2.532 1.00 . A A . 38 LEU HD21 1 1 10 6748 1 1 38 LEU HD22 H -14.533 0.911 -1.018 1.00 . A A . 38 LEU HD22 1 1 10 6749 1 1 38 LEU HD23 H -15.552 -0.522 -1.079 1.00 . A A . 38 LEU HD23 1 1 10 6750 1 1 38 LEU HG H -13.394 -1.075 -0.029 1.00 . A A . 38 LEU HG 1 1 10 6751 1 1 38 LEU N N -14.174 -3.526 0.257 1.00 . A A . 38 LEU N 1 1 10 6752 1 1 38 LEU O O -15.867 -4.540 -2.595 1.00 . A A . 38 LEU O 1 1 10 6753 1 1 39 PHE C C -12.650 -7.032 -3.090 1.00 . A A . 39 PHE C 1 1 10 6754 1 1 39 PHE CA C -14.041 -6.670 -2.551 1.00 . A A . 39 PHE CA 1 1 10 6755 1 1 39 PHE CB C -15.034 -6.615 -3.722 1.00 . A A . 39 PHE CB 1 1 10 6756 1 1 39 PHE CD1 C -17.090 -6.970 -2.271 1.00 . A A . 39 PHE CD1 1 1 10 6757 1 1 39 PHE CD2 C -16.687 -8.484 -4.124 1.00 . A A . 39 PHE CD2 1 1 10 6758 1 1 39 PHE CE1 C -18.254 -7.678 -1.949 1.00 . A A . 39 PHE CE1 1 1 10 6759 1 1 39 PHE CE2 C -17.851 -9.190 -3.799 1.00 . A A . 39 PHE CE2 1 1 10 6760 1 1 39 PHE CG C -16.302 -7.371 -3.361 1.00 . A A . 39 PHE CG 1 1 10 6761 1 1 39 PHE CZ C -18.635 -8.786 -2.713 1.00 . A A . 39 PHE CZ 1 1 10 6762 1 1 39 PHE H H -13.181 -5.194 -1.260 1.00 . A A . 39 PHE H 1 1 10 6763 1 1 39 PHE HA H -14.350 -7.433 -1.850 1.00 . A A . 39 PHE HA 1 1 10 6764 1 1 39 PHE HB2 H -15.268 -5.593 -3.947 1.00 . A A . 39 PHE HB2 1 1 10 6765 1 1 39 PHE HB3 H -14.589 -7.074 -4.593 1.00 . A A . 39 PHE HB3 1 1 10 6766 1 1 39 PHE HD1 H -16.800 -6.121 -1.675 1.00 . A A . 39 PHE HD1 1 1 10 6767 1 1 39 PHE HD2 H -16.083 -8.796 -4.963 1.00 . A A . 39 PHE HD2 1 1 10 6768 1 1 39 PHE HE1 H -18.860 -7.368 -1.112 1.00 . A A . 39 PHE HE1 1 1 10 6769 1 1 39 PHE HE2 H -18.145 -10.047 -4.388 1.00 . A A . 39 PHE HE2 1 1 10 6770 1 1 39 PHE HZ H -19.533 -9.331 -2.464 1.00 . A A . 39 PHE HZ 1 1 10 6771 1 1 39 PHE N N -13.952 -5.356 -1.825 1.00 . A A . 39 PHE N 1 1 10 6772 1 1 39 PHE O O -11.662 -6.400 -2.770 1.00 . A A . 39 PHE O 1 1 10 6773 1 1 40 THR C C -10.861 -7.490 -5.595 1.00 . A A . 40 THR C 1 1 10 6774 1 1 40 THR CA C -11.257 -8.456 -4.476 1.00 . A A . 40 THR CA 1 1 10 6775 1 1 40 THR CB C -11.373 -9.869 -5.047 1.00 . A A . 40 THR CB 1 1 10 6776 1 1 40 THR CG2 C -11.874 -10.823 -3.962 1.00 . A A . 40 THR CG2 1 1 10 6777 1 1 40 THR H H -13.383 -8.539 -4.152 1.00 . A A . 40 THR H 1 1 10 6778 1 1 40 THR HA H -10.505 -8.439 -3.701 1.00 . A A . 40 THR HA 1 1 10 6779 1 1 40 THR HB H -10.406 -10.198 -5.393 1.00 . A A . 40 THR HB 1 1 10 6780 1 1 40 THR HG1 H -12.118 -10.635 -6.671 1.00 . A A . 40 THR HG1 1 1 10 6781 1 1 40 THR HG21 H -12.887 -10.566 -3.696 1.00 . A A . 40 THR HG21 1 1 10 6782 1 1 40 THR HG22 H -11.240 -10.741 -3.091 1.00 . A A . 40 THR HG22 1 1 10 6783 1 1 40 THR HG23 H -11.844 -11.836 -4.334 1.00 . A A . 40 THR HG23 1 1 10 6784 1 1 40 THR N N -12.571 -8.046 -3.907 1.00 . A A . 40 THR N 1 1 10 6785 1 1 40 THR O O -9.817 -7.628 -6.201 1.00 . A A . 40 THR O 1 1 10 6786 1 1 40 THR OG1 O -12.290 -9.859 -6.132 1.00 . A A . 40 THR OG1 1 1 10 6787 1 1 41 GLY C C -9.875 -5.274 -7.009 1.00 . A A . 41 GLY C 1 1 10 6788 1 1 41 GLY CA C -11.382 -5.542 -6.963 1.00 . A A . 41 GLY CA 1 1 10 6789 1 1 41 GLY H H -12.531 -6.440 -5.376 1.00 . A A . 41 GLY H 1 1 10 6790 1 1 41 GLY HA2 H -11.706 -5.945 -7.912 1.00 . A A . 41 GLY HA2 1 1 10 6791 1 1 41 GLY HA3 H -11.902 -4.617 -6.770 1.00 . A A . 41 GLY HA3 1 1 10 6792 1 1 41 GLY N N -11.694 -6.521 -5.877 1.00 . A A . 41 GLY N 1 1 10 6793 1 1 41 GLY O O -9.165 -5.829 -7.825 1.00 . A A . 41 GLY O 1 1 10 6794 1 1 42 GLU C C -7.273 -4.788 -4.906 1.00 . A A . 42 GLU C 1 1 10 6795 1 1 42 GLU CA C -7.918 -4.137 -6.131 1.00 . A A . 42 GLU CA 1 1 10 6796 1 1 42 GLU CB C -7.702 -2.620 -6.074 1.00 . A A . 42 GLU CB 1 1 10 6797 1 1 42 GLU CD C -10.076 -1.895 -5.752 1.00 . A A . 42 GLU CD 1 1 10 6798 1 1 42 GLU CG C -8.697 -1.986 -5.096 1.00 . A A . 42 GLU CG 1 1 10 6799 1 1 42 GLU H H -9.972 -4.000 -5.488 1.00 . A A . 42 GLU H 1 1 10 6800 1 1 42 GLU HA H -7.462 -4.529 -7.029 1.00 . A A . 42 GLU HA 1 1 10 6801 1 1 42 GLU HB2 H -6.692 -2.413 -5.747 1.00 . A A . 42 GLU HB2 1 1 10 6802 1 1 42 GLU HB3 H -7.851 -2.201 -7.058 1.00 . A A . 42 GLU HB3 1 1 10 6803 1 1 42 GLU HG2 H -8.762 -2.591 -4.204 1.00 . A A . 42 GLU HG2 1 1 10 6804 1 1 42 GLU HG3 H -8.360 -0.995 -4.835 1.00 . A A . 42 GLU HG3 1 1 10 6805 1 1 42 GLU N N -9.381 -4.434 -6.138 1.00 . A A . 42 GLU N 1 1 10 6806 1 1 42 GLU O O -7.583 -4.457 -3.778 1.00 . A A . 42 GLU O 1 1 10 6807 1 1 42 GLU OE1 O -10.142 -1.453 -6.887 1.00 . A A . 42 GLU OE1 1 1 10 6808 1 1 42 GLU OE2 O -11.041 -2.264 -5.106 1.00 . A A . 42 GLU OE2 1 1 10 6809 1 1 43 CYS C C -4.461 -5.545 -3.574 1.00 . A A . 43 CYS C 1 1 10 6810 1 1 43 CYS CA C -5.707 -6.359 -3.950 1.00 . A A . 43 CYS CA 1 1 10 6811 1 1 43 CYS CB C -5.319 -7.793 -4.338 1.00 . A A . 43 CYS CB 1 1 10 6812 1 1 43 CYS H H -6.121 -5.961 -6.022 1.00 . A A . 43 CYS H 1 1 10 6813 1 1 43 CYS HXT H -2.775 -5.450 -2.845 1.00 . A A . 43 CYS HXT 1 1 10 6814 1 1 43 CYS HA H -6.387 -6.380 -3.111 1.00 . A A . 43 CYS HA 1 1 10 6815 1 1 43 CYS HB2 H -5.455 -7.922 -5.394 1.00 . A A . 43 CYS HB2 1 1 10 6816 1 1 43 CYS HB3 H -4.288 -7.978 -4.088 1.00 . A A . 43 CYS HB3 1 1 10 6817 1 1 43 CYS N N -6.369 -5.705 -5.109 1.00 . A A . 43 CYS N 1 1 10 6818 1 1 43 CYS O O -4.453 -4.357 -3.852 1.00 . A A . 43 CYS O 1 1 10 6819 1 1 43 CYS OXT O -3.539 -6.117 -3.019 1.00 . A A . 43 CYS OXT 1 1 10 6820 1 1 43 CYS SG S -6.373 -8.978 -3.471 1.00 . A A . 43 CYS SG 1 1 11 6821 1 1 1 CYS C C 3.930 -8.364 0.429 1.00 . A A . 1 CYS C 1 1 11 6822 1 1 1 CYS CA C 3.583 -8.741 -1.020 1.00 . A A . 1 CYS CA 1 1 11 6823 1 1 1 CYS CB C 2.105 -9.120 -1.155 1.00 . A A . 1 CYS CB 1 1 11 6824 1 1 1 CYS H1 H 5.423 -9.633 -1.370 1.00 . A A . 1 CYS H1 1 1 11 6825 1 1 1 CYS H2 H 4.228 -10.706 -0.870 1.00 . A A . 1 CYS H2 1 1 11 6826 1 1 1 CYS H3 H 4.219 -10.111 -2.443 1.00 . A A . 1 CYS H3 1 1 11 6827 1 1 1 CYS HA H 3.791 -7.896 -1.656 1.00 . A A . 1 CYS HA 1 1 11 6828 1 1 1 CYS HB2 H 1.523 -8.227 -1.296 1.00 . A A . 1 CYS HB2 1 1 11 6829 1 1 1 CYS HB3 H 1.977 -9.768 -2.010 1.00 . A A . 1 CYS HB3 1 1 11 6830 1 1 1 CYS N N 4.428 -9.886 -1.459 1.00 . A A . 1 CYS N 1 1 11 6831 1 1 1 CYS O O 3.937 -9.194 1.315 1.00 . A A . 1 CYS O 1 1 11 6832 1 1 1 CYS SG S 1.537 -9.979 0.332 1.00 . A A . 1 CYS SG 1 1 11 6833 1 1 2 GLY C C 3.506 -6.698 3.045 1.00 . A A . 2 GLY C 1 1 11 6834 1 1 2 GLY CA C 4.670 -6.684 2.028 1.00 . A A . 2 GLY CA 1 1 11 6835 1 1 2 GLY H H 4.291 -6.475 -0.087 1.00 . A A . 2 GLY H 1 1 11 6836 1 1 2 GLY HA2 H 5.453 -7.338 2.386 1.00 . A A . 2 GLY HA2 1 1 11 6837 1 1 2 GLY HA3 H 5.058 -5.683 1.952 1.00 . A A . 2 GLY HA3 1 1 11 6838 1 1 2 GLY N N 4.267 -7.123 0.657 1.00 . A A . 2 GLY N 1 1 11 6839 1 1 2 GLY O O 3.635 -7.231 4.129 1.00 . A A . 2 GLY O 1 1 11 6840 1 1 3 SER C C 1.452 -4.903 4.717 1.00 . A A . 3 SER C 1 1 11 6841 1 1 3 SER CA C 1.229 -6.022 3.676 1.00 . A A . 3 SER CA 1 1 11 6842 1 1 3 SER CB C 1.060 -7.367 4.402 1.00 . A A . 3 SER CB 1 1 11 6843 1 1 3 SER H H 2.336 -5.639 1.858 1.00 . A A . 3 SER H 1 1 11 6844 1 1 3 SER HA H 0.332 -5.805 3.116 1.00 . A A . 3 SER HA 1 1 11 6845 1 1 3 SER HB2 H 1.591 -8.138 3.878 1.00 . A A . 3 SER HB2 1 1 11 6846 1 1 3 SER HB3 H 1.452 -7.287 5.406 1.00 . A A . 3 SER HB3 1 1 11 6847 1 1 3 SER HG H -0.516 -8.276 3.705 1.00 . A A . 3 SER HG 1 1 11 6848 1 1 3 SER N N 2.396 -6.087 2.721 1.00 . A A . 3 SER N 1 1 11 6849 1 1 3 SER O O 2.500 -4.296 4.769 1.00 . A A . 3 SER O 1 1 11 6850 1 1 3 SER OG O -0.323 -7.700 4.449 1.00 . A A . 3 SER OG 1 1 11 6851 1 1 4 LYS C C 2.061 -3.364 6.975 1.00 . A A . 4 LYS C 1 1 11 6852 1 1 4 LYS CA C 0.595 -3.522 6.553 1.00 . A A . 4 LYS CA 1 1 11 6853 1 1 4 LYS CB C -0.265 -3.847 7.785 1.00 . A A . 4 LYS CB 1 1 11 6854 1 1 4 LYS CD C -1.532 -2.877 9.708 1.00 . A A . 4 LYS CD 1 1 11 6855 1 1 4 LYS CE C -1.668 -1.656 10.625 1.00 . A A . 4 LYS CE 1 1 11 6856 1 1 4 LYS CG C -0.577 -2.557 8.554 1.00 . A A . 4 LYS CG 1 1 11 6857 1 1 4 LYS H H -0.385 -5.111 5.461 1.00 . A A . 4 LYS H 1 1 11 6858 1 1 4 LYS HA H 0.253 -2.592 6.118 1.00 . A A . 4 LYS HA 1 1 11 6859 1 1 4 LYS HB2 H -1.189 -4.307 7.469 1.00 . A A . 4 LYS HB2 1 1 11 6860 1 1 4 LYS HB3 H 0.273 -4.526 8.432 1.00 . A A . 4 LYS HB3 1 1 11 6861 1 1 4 LYS HD2 H -2.502 -3.138 9.311 1.00 . A A . 4 LYS HD2 1 1 11 6862 1 1 4 LYS HD3 H -1.140 -3.706 10.277 1.00 . A A . 4 LYS HD3 1 1 11 6863 1 1 4 LYS HE2 H -2.389 -1.873 11.402 1.00 . A A . 4 LYS HE2 1 1 11 6864 1 1 4 LYS HE3 H -0.713 -1.436 11.076 1.00 . A A . 4 LYS HE3 1 1 11 6865 1 1 4 LYS HG2 H 0.335 -2.142 8.946 1.00 . A A . 4 LYS HG2 1 1 11 6866 1 1 4 LYS HG3 H -1.043 -1.843 7.893 1.00 . A A . 4 LYS HG3 1 1 11 6867 1 1 4 LYS HZ1 H -1.420 0.275 9.898 1.00 . A A . 4 LYS HZ1 1 1 11 6868 1 1 4 LYS HZ2 H -3.031 -0.133 10.231 1.00 . A A . 4 LYS HZ2 1 1 11 6869 1 1 4 LYS HZ3 H -2.267 -0.755 8.846 1.00 . A A . 4 LYS HZ3 1 1 11 6870 1 1 4 LYS N N 0.458 -4.617 5.532 1.00 . A A . 4 LYS N 1 1 11 6871 1 1 4 LYS NZ N -2.131 -0.479 9.841 1.00 . A A . 4 LYS NZ 1 1 11 6872 1 1 4 LYS O O 2.733 -4.321 7.304 1.00 . A A . 4 LYS O 1 1 11 6873 1 1 5 ARG C C 4.868 -2.880 6.557 1.00 . A A . 5 ARG C 1 1 11 6874 1 1 5 ARG CA C 3.984 -1.899 7.306 1.00 . A A . 5 ARG CA 1 1 11 6875 1 1 5 ARG CB C 4.222 -2.117 8.803 1.00 . A A . 5 ARG CB 1 1 11 6876 1 1 5 ARG CD C 3.785 -1.188 11.069 1.00 . A A . 5 ARG CD 1 1 11 6877 1 1 5 ARG CG C 3.252 -1.285 9.639 1.00 . A A . 5 ARG CG 1 1 11 6878 1 1 5 ARG CZ C 3.267 -3.450 11.796 1.00 . A A . 5 ARG CZ 1 1 11 6879 1 1 5 ARG H H 1.997 -1.409 6.651 1.00 . A A . 5 ARG H 1 1 11 6880 1 1 5 ARG HA H 4.256 -0.887 7.038 1.00 . A A . 5 ARG HA 1 1 11 6881 1 1 5 ARG HB2 H 4.079 -3.161 9.033 1.00 . A A . 5 ARG HB2 1 1 11 6882 1 1 5 ARG HB3 H 5.235 -1.834 9.048 1.00 . A A . 5 ARG HB3 1 1 11 6883 1 1 5 ARG HD2 H 4.648 -0.539 11.088 1.00 . A A . 5 ARG HD2 1 1 11 6884 1 1 5 ARG HD3 H 3.019 -0.784 11.714 1.00 . A A . 5 ARG HD3 1 1 11 6885 1 1 5 ARG HE H 5.122 -2.764 11.678 1.00 . A A . 5 ARG HE 1 1 11 6886 1 1 5 ARG HG2 H 3.163 -0.295 9.214 1.00 . A A . 5 ARG HG2 1 1 11 6887 1 1 5 ARG HG3 H 2.287 -1.761 9.651 1.00 . A A . 5 ARG HG3 1 1 11 6888 1 1 5 ARG HH11 H 1.726 -2.270 11.309 1.00 . A A . 5 ARG HH11 1 1 11 6889 1 1 5 ARG HH12 H 1.312 -3.875 11.815 1.00 . A A . 5 ARG HH12 1 1 11 6890 1 1 5 ARG HH21 H 4.597 -4.844 12.340 1.00 . A A . 5 ARG HH21 1 1 11 6891 1 1 5 ARG HH22 H 2.936 -5.331 12.398 1.00 . A A . 5 ARG HH22 1 1 11 6892 1 1 5 ARG N N 2.560 -2.154 6.941 1.00 . A A . 5 ARG N 1 1 11 6893 1 1 5 ARG NE N 4.174 -2.546 11.549 1.00 . A A . 5 ARG NE 1 1 11 6894 1 1 5 ARG NH1 N 2.003 -3.177 11.628 1.00 . A A . 5 ARG NH1 1 1 11 6895 1 1 5 ARG NH2 N 3.627 -4.634 12.212 1.00 . A A . 5 ARG NH2 1 1 11 6896 1 1 5 ARG O O 5.313 -3.864 7.116 1.00 . A A . 5 ARG O 1 1 11 6897 1 1 6 ALA C C 6.377 -3.068 3.189 1.00 . A A . 6 ALA C 1 1 11 6898 1 1 6 ALA CA C 5.993 -3.608 4.572 1.00 . A A . 6 ALA CA 1 1 11 6899 1 1 6 ALA CB C 5.213 -4.906 4.400 1.00 . A A . 6 ALA CB 1 1 11 6900 1 1 6 ALA H H 4.761 -1.853 4.849 1.00 . A A . 6 ALA H 1 1 11 6901 1 1 6 ALA HA H 6.886 -3.806 5.144 1.00 . A A . 6 ALA HA 1 1 11 6902 1 1 6 ALA HB1 H 4.791 -5.203 5.349 1.00 . A A . 6 ALA HB1 1 1 11 6903 1 1 6 ALA HB2 H 5.874 -5.679 4.041 1.00 . A A . 6 ALA HB2 1 1 11 6904 1 1 6 ALA HB3 H 4.416 -4.741 3.688 1.00 . A A . 6 ALA HB3 1 1 11 6905 1 1 6 ALA N N 5.136 -2.642 5.305 1.00 . A A . 6 ALA N 1 1 11 6906 1 1 6 ALA O O 5.570 -2.523 2.458 1.00 . A A . 6 ALA O 1 1 11 6907 1 1 7 TRP C C 7.260 -3.257 0.387 1.00 . A A . 7 TRP C 1 1 11 6908 1 1 7 TRP CA C 8.141 -2.742 1.534 1.00 . A A . 7 TRP CA 1 1 11 6909 1 1 7 TRP CB C 9.567 -3.263 1.364 1.00 . A A . 7 TRP CB 1 1 11 6910 1 1 7 TRP CD1 C 10.512 -2.128 -0.676 1.00 . A A . 7 TRP CD1 1 1 11 6911 1 1 7 TRP CD2 C 9.827 -4.229 -1.087 1.00 . A A . 7 TRP CD2 1 1 11 6912 1 1 7 TRP CE2 C 10.322 -3.723 -2.308 1.00 . A A . 7 TRP CE2 1 1 11 6913 1 1 7 TRP CE3 C 9.326 -5.542 -1.063 1.00 . A A . 7 TRP CE3 1 1 11 6914 1 1 7 TRP CG C 9.957 -3.197 -0.072 1.00 . A A . 7 TRP CG 1 1 11 6915 1 1 7 TRP CH2 C 9.823 -5.801 -3.429 1.00 . A A . 7 TRP CH2 1 1 11 6916 1 1 7 TRP CZ2 C 10.323 -4.496 -3.469 1.00 . A A . 7 TRP CZ2 1 1 11 6917 1 1 7 TRP CZ3 C 9.326 -6.323 -2.228 1.00 . A A . 7 TRP CZ3 1 1 11 6918 1 1 7 TRP H H 8.248 -3.662 3.462 1.00 . A A . 7 TRP H 1 1 11 6919 1 1 7 TRP HA H 8.154 -1.665 1.523 1.00 . A A . 7 TRP HA 1 1 11 6920 1 1 7 TRP HB2 H 10.244 -2.659 1.949 1.00 . A A . 7 TRP HB2 1 1 11 6921 1 1 7 TRP HB3 H 9.616 -4.286 1.700 1.00 . A A . 7 TRP HB3 1 1 11 6922 1 1 7 TRP HD1 H 10.743 -1.186 -0.196 1.00 . A A . 7 TRP HD1 1 1 11 6923 1 1 7 TRP HE1 H 11.122 -1.831 -2.673 1.00 . A A . 7 TRP HE1 1 1 11 6924 1 1 7 TRP HE3 H 8.944 -5.954 -0.141 1.00 . A A . 7 TRP HE3 1 1 11 6925 1 1 7 TRP HH2 H 9.820 -6.406 -4.324 1.00 . A A . 7 TRP HH2 1 1 11 6926 1 1 7 TRP HZ2 H 10.706 -4.090 -4.393 1.00 . A A . 7 TRP HZ2 1 1 11 6927 1 1 7 TRP HZ3 H 8.939 -7.331 -2.199 1.00 . A A . 7 TRP HZ3 1 1 11 6928 1 1 7 TRP N N 7.630 -3.223 2.844 1.00 . A A . 7 TRP N 1 1 11 6929 1 1 7 TRP NE1 N 10.729 -2.435 -2.010 1.00 . A A . 7 TRP NE1 1 1 11 6930 1 1 7 TRP O O 6.886 -4.411 0.346 1.00 . A A . 7 TRP O 1 1 11 6931 1 1 8 CYS C C 6.910 -2.524 -2.995 1.00 . A A . 8 CYS C 1 1 11 6932 1 1 8 CYS CA C 6.117 -2.825 -1.719 1.00 . A A . 8 CYS CA 1 1 11 6933 1 1 8 CYS CB C 4.808 -2.028 -1.713 1.00 . A A . 8 CYS CB 1 1 11 6934 1 1 8 CYS H H 7.279 -1.487 -0.502 1.00 . A A . 8 CYS H 1 1 11 6935 1 1 8 CYS HA H 5.895 -3.892 -1.660 1.00 . A A . 8 CYS HA 1 1 11 6936 1 1 8 CYS HB2 H 3.993 -2.708 -1.559 1.00 . A A . 8 CYS HB2 1 1 11 6937 1 1 8 CYS HB3 H 4.829 -1.308 -0.906 1.00 . A A . 8 CYS HB3 1 1 11 6938 1 1 8 CYS N N 6.950 -2.406 -0.553 1.00 . A A . 8 CYS N 1 1 11 6939 1 1 8 CYS O O 7.670 -1.577 -3.052 1.00 . A A . 8 CYS O 1 1 11 6940 1 1 8 CYS SG S 4.564 -1.168 -3.290 1.00 . A A . 8 CYS SG 1 1 11 6941 1 1 9 LYS C C 6.663 -2.096 -6.148 1.00 . A A . 9 LYS C 1 1 11 6942 1 1 9 LYS CA C 7.493 -3.046 -5.279 1.00 . A A . 9 LYS CA 1 1 11 6943 1 1 9 LYS CB C 7.734 -4.376 -5.993 1.00 . A A . 9 LYS CB 1 1 11 6944 1 1 9 LYS CD C 9.133 -5.522 -7.730 1.00 . A A . 9 LYS CD 1 1 11 6945 1 1 9 LYS CE C 8.003 -6.391 -8.302 1.00 . A A . 9 LYS CE 1 1 11 6946 1 1 9 LYS CG C 8.591 -4.169 -7.245 1.00 . A A . 9 LYS CG 1 1 11 6947 1 1 9 LYS H H 6.123 -4.068 -3.967 1.00 . A A . 9 LYS H 1 1 11 6948 1 1 9 LYS HA H 8.439 -2.584 -5.042 1.00 . A A . 9 LYS HA 1 1 11 6949 1 1 9 LYS HB2 H 8.238 -5.054 -5.321 1.00 . A A . 9 LYS HB2 1 1 11 6950 1 1 9 LYS HB3 H 6.784 -4.792 -6.276 1.00 . A A . 9 LYS HB3 1 1 11 6951 1 1 9 LYS HD2 H 9.872 -5.352 -8.500 1.00 . A A . 9 LYS HD2 1 1 11 6952 1 1 9 LYS HD3 H 9.598 -6.040 -6.904 1.00 . A A . 9 LYS HD3 1 1 11 6953 1 1 9 LYS HE2 H 7.061 -6.109 -7.859 1.00 . A A . 9 LYS HE2 1 1 11 6954 1 1 9 LYS HE3 H 7.951 -6.253 -9.370 1.00 . A A . 9 LYS HE3 1 1 11 6955 1 1 9 LYS HG2 H 7.988 -3.721 -8.021 1.00 . A A . 9 LYS HG2 1 1 11 6956 1 1 9 LYS HG3 H 9.418 -3.519 -7.010 1.00 . A A . 9 LYS HG3 1 1 11 6957 1 1 9 LYS HZ1 H 8.982 -8.193 -8.673 1.00 . A A . 9 LYS HZ1 1 1 11 6958 1 1 9 LYS HZ2 H 7.399 -8.374 -8.091 1.00 . A A . 9 LYS HZ2 1 1 11 6959 1 1 9 LYS HZ3 H 8.643 -7.913 -7.031 1.00 . A A . 9 LYS HZ3 1 1 11 6960 1 1 9 LYS N N 6.743 -3.311 -4.020 1.00 . A A . 9 LYS N 1 1 11 6961 1 1 9 LYS NZ N 8.278 -7.826 -8.002 1.00 . A A . 9 LYS NZ 1 1 11 6962 1 1 9 LYS O O 7.149 -1.100 -6.640 1.00 . A A . 9 LYS O 1 1 11 6963 1 1 10 GLU C C 3.151 -1.459 -6.376 1.00 . A A . 10 GLU C 1 1 11 6964 1 1 10 GLU CA C 4.506 -1.476 -7.079 1.00 . A A . 10 GLU CA 1 1 11 6965 1 1 10 GLU CB C 4.324 -1.983 -8.525 1.00 . A A . 10 GLU CB 1 1 11 6966 1 1 10 GLU CD C 5.478 -0.798 -10.441 1.00 . A A . 10 GLU CD 1 1 11 6967 1 1 10 GLU CG C 5.636 -1.850 -9.332 1.00 . A A . 10 GLU CG 1 1 11 6968 1 1 10 GLU H H 5.022 -3.166 -5.853 1.00 . A A . 10 GLU H 1 1 11 6969 1 1 10 GLU HA H 4.910 -0.475 -7.084 1.00 . A A . 10 GLU HA 1 1 11 6970 1 1 10 GLU HB2 H 4.025 -3.019 -8.495 1.00 . A A . 10 GLU HB2 1 1 11 6971 1 1 10 GLU HB3 H 3.548 -1.407 -9.005 1.00 . A A . 10 GLU HB3 1 1 11 6972 1 1 10 GLU HG2 H 6.441 -1.556 -8.679 1.00 . A A . 10 GLU HG2 1 1 11 6973 1 1 10 GLU HG3 H 5.878 -2.803 -9.785 1.00 . A A . 10 GLU HG3 1 1 11 6974 1 1 10 GLU N N 5.400 -2.376 -6.295 1.00 . A A . 10 GLU N 1 1 11 6975 1 1 10 GLU O O 2.963 -2.101 -5.362 1.00 . A A . 10 GLU O 1 1 11 6976 1 1 10 GLU OE1 O 4.740 -1.056 -11.379 1.00 . A A . 10 GLU OE1 1 1 11 6977 1 1 10 GLU OE2 O 6.110 0.241 -10.337 1.00 . A A . 10 GLU OE2 1 1 11 6978 1 1 11 LYS C C 0.262 -2.117 -6.198 1.00 . A A . 11 LYS C 1 1 11 6979 1 1 11 LYS CA C 0.871 -0.714 -6.226 1.00 . A A . 11 LYS CA 1 1 11 6980 1 1 11 LYS CB C -0.067 0.241 -6.968 1.00 . A A . 11 LYS CB 1 1 11 6981 1 1 11 LYS CD C -1.927 1.736 -6.109 1.00 . A A . 11 LYS CD 1 1 11 6982 1 1 11 LYS CE C -1.740 2.208 -4.665 1.00 . A A . 11 LYS CE 1 1 11 6983 1 1 11 LYS CG C -1.422 0.288 -6.239 1.00 . A A . 11 LYS CG 1 1 11 6984 1 1 11 LYS H H 2.358 -0.232 -7.712 1.00 . A A . 11 LYS H 1 1 11 6985 1 1 11 LYS HA H 0.995 -0.365 -5.214 1.00 . A A . 11 LYS HA 1 1 11 6986 1 1 11 LYS HB2 H 0.377 1.226 -6.989 1.00 . A A . 11 LYS HB2 1 1 11 6987 1 1 11 LYS HB3 H -0.211 -0.110 -7.979 1.00 . A A . 11 LYS HB3 1 1 11 6988 1 1 11 LYS HD2 H -1.375 2.386 -6.775 1.00 . A A . 11 LYS HD2 1 1 11 6989 1 1 11 LYS HD3 H -2.977 1.777 -6.360 1.00 . A A . 11 LYS HD3 1 1 11 6990 1 1 11 LYS HE2 H -2.188 3.181 -4.542 1.00 . A A . 11 LYS HE2 1 1 11 6991 1 1 11 LYS HE3 H -2.216 1.503 -3.996 1.00 . A A . 11 LYS HE3 1 1 11 6992 1 1 11 LYS HG2 H -2.144 -0.291 -6.800 1.00 . A A . 11 LYS HG2 1 1 11 6993 1 1 11 LYS HG3 H -1.316 -0.145 -5.254 1.00 . A A . 11 LYS HG3 1 1 11 6994 1 1 11 LYS HZ1 H 0.028 3.275 -4.398 1.00 . A A . 11 LYS HZ1 1 1 11 6995 1 1 11 LYS HZ2 H 0.248 1.724 -5.049 1.00 . A A . 11 LYS HZ2 1 1 11 6996 1 1 11 LYS HZ3 H -0.114 1.906 -3.399 1.00 . A A . 11 LYS HZ3 1 1 11 6997 1 1 11 LYS N N 2.201 -0.745 -6.892 1.00 . A A . 11 LYS N 1 1 11 6998 1 1 11 LYS NZ N -0.284 2.284 -4.354 1.00 . A A . 11 LYS NZ 1 1 11 6999 1 1 11 LYS O O -0.409 -2.494 -5.258 1.00 . A A . 11 LYS O 1 1 11 7000 1 1 12 LYS C C 0.756 -5.220 -6.432 1.00 . A A . 12 LYS C 1 1 11 7001 1 1 12 LYS CA C -0.109 -4.260 -7.258 1.00 . A A . 12 LYS CA 1 1 11 7002 1 1 12 LYS CB C -0.179 -4.725 -8.720 1.00 . A A . 12 LYS CB 1 1 11 7003 1 1 12 LYS CD C -1.564 -5.902 -10.427 1.00 . A A . 12 LYS CD 1 1 11 7004 1 1 12 LYS CE C -2.837 -6.718 -10.659 1.00 . A A . 12 LYS CE 1 1 11 7005 1 1 12 LYS CG C -1.423 -5.590 -8.936 1.00 . A A . 12 LYS CG 1 1 11 7006 1 1 12 LYS H H 1.012 -2.566 -7.976 1.00 . A A . 12 LYS H 1 1 11 7007 1 1 12 LYS HA H -1.103 -4.232 -6.839 1.00 . A A . 12 LYS HA 1 1 11 7008 1 1 12 LYS HB2 H -0.231 -3.859 -9.363 1.00 . A A . 12 LYS HB2 1 1 11 7009 1 1 12 LYS HB3 H 0.703 -5.298 -8.961 1.00 . A A . 12 LYS HB3 1 1 11 7010 1 1 12 LYS HD2 H -1.623 -4.977 -10.983 1.00 . A A . 12 LYS HD2 1 1 11 7011 1 1 12 LYS HD3 H -0.709 -6.470 -10.761 1.00 . A A . 12 LYS HD3 1 1 11 7012 1 1 12 LYS HE2 H -2.901 -7.503 -9.921 1.00 . A A . 12 LYS HE2 1 1 11 7013 1 1 12 LYS HE3 H -3.700 -6.072 -10.573 1.00 . A A . 12 LYS HE3 1 1 11 7014 1 1 12 LYS HG2 H -1.323 -6.512 -8.382 1.00 . A A . 12 LYS HG2 1 1 11 7015 1 1 12 LYS HG3 H -2.298 -5.057 -8.598 1.00 . A A . 12 LYS HG3 1 1 11 7016 1 1 12 LYS HZ1 H -3.759 -7.328 -12.422 1.00 . A A . 12 LYS HZ1 1 1 11 7017 1 1 12 LYS HZ2 H -2.440 -8.290 -11.962 1.00 . A A . 12 LYS HZ2 1 1 11 7018 1 1 12 LYS HZ3 H -2.175 -6.751 -12.631 1.00 . A A . 12 LYS HZ3 1 1 11 7019 1 1 12 LYS N N 0.475 -2.890 -7.223 1.00 . A A . 12 LYS N 1 1 11 7020 1 1 12 LYS NZ N -2.800 -7.317 -12.021 1.00 . A A . 12 LYS NZ 1 1 11 7021 1 1 12 LYS O O 0.390 -6.357 -6.204 1.00 . A A . 12 LYS O 1 1 11 7022 1 1 13 ASP C C 2.386 -5.681 -3.712 1.00 . A A . 13 ASP C 1 1 11 7023 1 1 13 ASP CA C 2.781 -5.697 -5.194 1.00 . A A . 13 ASP CA 1 1 11 7024 1 1 13 ASP CB C 4.249 -5.283 -5.330 1.00 . A A . 13 ASP CB 1 1 11 7025 1 1 13 ASP CG C 5.143 -6.464 -4.922 1.00 . A A . 13 ASP CG 1 1 11 7026 1 1 13 ASP H H 2.195 -3.869 -6.185 1.00 . A A . 13 ASP H 1 1 11 7027 1 1 13 ASP HA H 2.667 -6.702 -5.571 1.00 . A A . 13 ASP HA 1 1 11 7028 1 1 13 ASP HB2 H 4.455 -5.007 -6.353 1.00 . A A . 13 ASP HB2 1 1 11 7029 1 1 13 ASP HB3 H 4.452 -4.444 -4.682 1.00 . A A . 13 ASP HB3 1 1 11 7030 1 1 13 ASP N N 1.906 -4.785 -5.988 1.00 . A A . 13 ASP N 1 1 11 7031 1 1 13 ASP O O 2.981 -6.370 -2.915 1.00 . A A . 13 ASP O 1 1 11 7032 1 1 13 ASP OD1 O 4.679 -7.299 -4.167 1.00 . A A . 13 ASP OD1 1 1 11 7033 1 1 13 ASP OD2 O 6.273 -6.518 -5.377 1.00 . A A . 13 ASP OD2 1 1 11 7034 1 1 14 CYS C C -0.018 -6.048 -1.684 1.00 . A A . 14 CYS C 1 1 11 7035 1 1 14 CYS CA C 1.004 -4.936 -1.890 1.00 . A A . 14 CYS CA 1 1 11 7036 1 1 14 CYS CB C 0.375 -3.597 -1.514 1.00 . A A . 14 CYS CB 1 1 11 7037 1 1 14 CYS H H 0.895 -4.376 -3.946 1.00 . A A . 14 CYS H 1 1 11 7038 1 1 14 CYS HA H 1.873 -5.119 -1.271 1.00 . A A . 14 CYS HA 1 1 11 7039 1 1 14 CYS HB2 H -0.169 -3.214 -2.366 1.00 . A A . 14 CYS HB2 1 1 11 7040 1 1 14 CYS HB3 H -0.302 -3.735 -0.701 1.00 . A A . 14 CYS HB3 1 1 11 7041 1 1 14 CYS N N 1.391 -4.929 -3.316 1.00 . A A . 14 CYS N 1 1 11 7042 1 1 14 CYS O O -0.852 -6.304 -2.531 1.00 . A A . 14 CYS O 1 1 11 7043 1 1 14 CYS SG S 1.661 -2.408 -1.052 1.00 . A A . 14 CYS SG 1 1 11 7044 1 1 15 CYS C C -2.316 -7.332 -0.636 1.00 . A A . 15 CYS C 1 1 11 7045 1 1 15 CYS CA C -0.903 -7.814 -0.317 1.00 . A A . 15 CYS CA 1 1 11 7046 1 1 15 CYS CB C -0.785 -8.200 1.150 1.00 . A A . 15 CYS CB 1 1 11 7047 1 1 15 CYS H H 0.723 -6.509 0.094 1.00 . A A . 15 CYS H 1 1 11 7048 1 1 15 CYS HA H -0.660 -8.663 -0.939 1.00 . A A . 15 CYS HA 1 1 11 7049 1 1 15 CYS HB2 H -1.170 -7.405 1.768 1.00 . A A . 15 CYS HB2 1 1 11 7050 1 1 15 CYS HB3 H -1.341 -9.092 1.325 1.00 . A A . 15 CYS HB3 1 1 11 7051 1 1 15 CYS N N 0.044 -6.717 -0.574 1.00 . A A . 15 CYS N 1 1 11 7052 1 1 15 CYS O O -2.672 -6.200 -0.377 1.00 . A A . 15 CYS O 1 1 11 7053 1 1 15 CYS SG S 0.954 -8.485 1.556 1.00 . A A . 15 CYS SG 1 1 11 7054 1 1 16 CYS C C -5.166 -7.091 -0.376 1.00 . A A . 16 CYS C 1 1 11 7055 1 1 16 CYS CA C -4.494 -7.744 -1.585 1.00 . A A . 16 CYS CA 1 1 11 7056 1 1 16 CYS CB C -5.296 -8.969 -2.037 1.00 . A A . 16 CYS CB 1 1 11 7057 1 1 16 CYS H H -2.807 -9.072 -1.443 1.00 . A A . 16 CYS H 1 1 11 7058 1 1 16 CYS HA H -4.445 -7.031 -2.395 1.00 . A A . 16 CYS HA 1 1 11 7059 1 1 16 CYS HB2 H -5.171 -9.105 -3.100 1.00 . A A . 16 CYS HB2 1 1 11 7060 1 1 16 CYS HB3 H -4.934 -9.844 -1.522 1.00 . A A . 16 CYS HB3 1 1 11 7061 1 1 16 CYS N N -3.116 -8.169 -1.224 1.00 . A A . 16 CYS N 1 1 11 7062 1 1 16 CYS O O -5.061 -7.564 0.737 1.00 . A A . 16 CYS O 1 1 11 7063 1 1 16 CYS SG S -7.048 -8.732 -1.663 1.00 . A A . 16 CYS SG 1 1 11 7064 1 1 17 GLY C C -5.600 -4.271 1.149 1.00 . A A . 17 GLY C 1 1 11 7065 1 1 17 GLY CA C -6.541 -5.311 0.538 1.00 . A A . 17 GLY CA 1 1 11 7066 1 1 17 GLY H H -5.926 -5.641 -1.499 1.00 . A A . 17 GLY H 1 1 11 7067 1 1 17 GLY HA2 H -7.433 -4.824 0.175 1.00 . A A . 17 GLY HA2 1 1 11 7068 1 1 17 GLY HA3 H -6.808 -6.034 1.294 1.00 . A A . 17 GLY HA3 1 1 11 7069 1 1 17 GLY N N -5.856 -6.003 -0.592 1.00 . A A . 17 GLY N 1 1 11 7070 1 1 17 GLY O O -5.951 -3.578 2.083 1.00 . A A . 17 GLY O 1 1 11 7071 1 1 18 TYR C C -2.934 -2.239 0.084 1.00 . A A . 18 TYR C 1 1 11 7072 1 1 18 TYR CA C -3.434 -3.169 1.193 1.00 . A A . 18 TYR CA 1 1 11 7073 1 1 18 TYR CB C -2.261 -3.919 1.819 1.00 . A A . 18 TYR CB 1 1 11 7074 1 1 18 TYR CD1 C -3.250 -6.043 2.758 1.00 . A A . 18 TYR CD1 1 1 11 7075 1 1 18 TYR CD2 C -2.765 -4.210 4.271 1.00 . A A . 18 TYR CD2 1 1 11 7076 1 1 18 TYR CE1 C -3.729 -6.802 3.833 1.00 . A A . 18 TYR CE1 1 1 11 7077 1 1 18 TYR CE2 C -3.244 -4.969 5.345 1.00 . A A . 18 TYR CE2 1 1 11 7078 1 1 18 TYR CG C -2.769 -4.746 2.977 1.00 . A A . 18 TYR CG 1 1 11 7079 1 1 18 TYR CZ C -3.725 -6.266 5.126 1.00 . A A . 18 TYR CZ 1 1 11 7080 1 1 18 TYR H H -4.129 -4.756 -0.159 1.00 . A A . 18 TYR H 1 1 11 7081 1 1 18 TYR HA H -3.922 -2.579 1.956 1.00 . A A . 18 TYR HA 1 1 11 7082 1 1 18 TYR HB2 H -1.812 -4.566 1.080 1.00 . A A . 18 TYR HB2 1 1 11 7083 1 1 18 TYR HB3 H -1.529 -3.213 2.176 1.00 . A A . 18 TYR HB3 1 1 11 7084 1 1 18 TYR HD1 H -3.254 -6.457 1.763 1.00 . A A . 18 TYR HD1 1 1 11 7085 1 1 18 TYR HD2 H -2.394 -3.209 4.440 1.00 . A A . 18 TYR HD2 1 1 11 7086 1 1 18 TYR HE1 H -4.101 -7.802 3.662 1.00 . A A . 18 TYR HE1 1 1 11 7087 1 1 18 TYR HE2 H -3.239 -4.554 6.342 1.00 . A A . 18 TYR HE2 1 1 11 7088 1 1 18 TYR HH H -4.331 -6.423 6.928 1.00 . A A . 18 TYR HH 1 1 11 7089 1 1 18 TYR N N -4.404 -4.160 0.633 1.00 . A A . 18 TYR N 1 1 11 7090 1 1 18 TYR O O -2.772 -2.636 -1.053 1.00 . A A . 18 TYR O 1 1 11 7091 1 1 18 TYR OH O -4.197 -7.014 6.184 1.00 . A A . 18 TYR OH 1 1 11 7092 1 1 19 ASN C C -0.707 0.183 -0.475 1.00 . A A . 19 ASN C 1 1 11 7093 1 1 19 ASN CA C -2.217 -0.011 -0.605 1.00 . A A . 19 ASN CA 1 1 11 7094 1 1 19 ASN CB C -2.908 1.338 -0.371 1.00 . A A . 19 ASN CB 1 1 11 7095 1 1 19 ASN CG C -2.028 2.478 -0.903 1.00 . A A . 19 ASN CG 1 1 11 7096 1 1 19 ASN H H -2.844 -0.703 1.339 1.00 . A A . 19 ASN H 1 1 11 7097 1 1 19 ASN HA H -2.451 -0.369 -1.597 1.00 . A A . 19 ASN HA 1 1 11 7098 1 1 19 ASN HB2 H -3.859 1.351 -0.880 1.00 . A A . 19 ASN HB2 1 1 11 7099 1 1 19 ASN HB3 H -3.063 1.478 0.686 1.00 . A A . 19 ASN HB3 1 1 11 7100 1 1 19 ASN HD21 H -1.756 3.292 0.889 1.00 . A A . 19 ASN HD21 1 1 11 7101 1 1 19 ASN HD22 H -0.991 4.095 -0.397 1.00 . A A . 19 ASN HD22 1 1 11 7102 1 1 19 ASN N N -2.699 -0.995 0.413 1.00 . A A . 19 ASN N 1 1 11 7103 1 1 19 ASN ND2 N -1.553 3.362 -0.069 1.00 . A A . 19 ASN ND2 1 1 11 7104 1 1 19 ASN O O -0.141 0.019 0.585 1.00 . A A . 19 ASN O 1 1 11 7105 1 1 19 ASN OD1 O -1.765 2.559 -2.084 1.00 . A A . 19 ASN OD1 1 1 11 7106 1 1 20 CYS C C 1.673 2.258 -1.164 1.00 . A A . 20 CYS C 1 1 11 7107 1 1 20 CYS CA C 1.408 0.788 -1.493 1.00 . A A . 20 CYS CA 1 1 11 7108 1 1 20 CYS CB C 2.031 0.445 -2.853 1.00 . A A . 20 CYS CB 1 1 11 7109 1 1 20 CYS H H -0.547 0.698 -2.383 1.00 . A A . 20 CYS H 1 1 11 7110 1 1 20 CYS HA H 1.851 0.167 -0.727 1.00 . A A . 20 CYS HA 1 1 11 7111 1 1 20 CYS HB2 H 1.789 -0.574 -3.119 1.00 . A A . 20 CYS HB2 1 1 11 7112 1 1 20 CYS HB3 H 1.646 1.116 -3.606 1.00 . A A . 20 CYS HB3 1 1 11 7113 1 1 20 CYS N N -0.061 0.554 -1.545 1.00 . A A . 20 CYS N 1 1 11 7114 1 1 20 CYS O O 1.363 3.147 -1.932 1.00 . A A . 20 CYS O 1 1 11 7115 1 1 20 CYS SG S 3.823 0.630 -2.753 1.00 . A A . 20 CYS SG 1 1 11 7116 1 1 21 VAL C C 4.007 4.204 0.010 1.00 . A A . 21 VAL C 1 1 11 7117 1 1 21 VAL CA C 2.553 3.923 0.367 1.00 . A A . 21 VAL CA 1 1 11 7118 1 1 21 VAL CB C 2.304 4.100 1.880 1.00 . A A . 21 VAL CB 1 1 11 7119 1 1 21 VAL CG1 C 3.602 4.461 2.618 1.00 . A A . 21 VAL CG1 1 1 11 7120 1 1 21 VAL CG2 C 1.277 5.214 2.096 1.00 . A A . 21 VAL CG2 1 1 11 7121 1 1 21 VAL H H 2.500 1.782 0.575 1.00 . A A . 21 VAL H 1 1 11 7122 1 1 21 VAL HA H 1.916 4.595 -0.190 1.00 . A A . 21 VAL HA 1 1 11 7123 1 1 21 VAL HB H 1.912 3.179 2.284 1.00 . A A . 21 VAL HB 1 1 11 7124 1 1 21 VAL HG11 H 3.410 4.500 3.679 1.00 . A A . 21 VAL HG11 1 1 11 7125 1 1 21 VAL HG12 H 3.952 5.427 2.282 1.00 . A A . 21 VAL HG12 1 1 11 7126 1 1 21 VAL HG13 H 4.354 3.713 2.419 1.00 . A A . 21 VAL HG13 1 1 11 7127 1 1 21 VAL HG21 H 0.361 4.962 1.582 1.00 . A A . 21 VAL HG21 1 1 11 7128 1 1 21 VAL HG22 H 1.666 6.141 1.703 1.00 . A A . 21 VAL HG22 1 1 11 7129 1 1 21 VAL HG23 H 1.080 5.322 3.152 1.00 . A A . 21 VAL HG23 1 1 11 7130 1 1 21 VAL N N 2.252 2.516 -0.024 1.00 . A A . 21 VAL N 1 1 11 7131 1 1 21 VAL O O 4.851 3.344 0.126 1.00 . A A . 21 VAL O 1 1 11 7132 1 1 22 TYR C C 6.369 6.540 0.274 1.00 . A A . 22 TYR C 1 1 11 7133 1 1 22 TYR CA C 5.712 5.695 -0.824 1.00 . A A . 22 TYR CA 1 1 11 7134 1 1 22 TYR CB C 5.703 6.470 -2.145 1.00 . A A . 22 TYR CB 1 1 11 7135 1 1 22 TYR CD1 C 7.251 5.068 -3.539 1.00 . A A . 22 TYR CD1 1 1 11 7136 1 1 22 TYR CD2 C 7.984 7.274 -2.850 1.00 . A A . 22 TYR CD2 1 1 11 7137 1 1 22 TYR CE1 C 8.461 4.873 -4.209 1.00 . A A . 22 TYR CE1 1 1 11 7138 1 1 22 TYR CE2 C 9.196 7.081 -3.519 1.00 . A A . 22 TYR CE2 1 1 11 7139 1 1 22 TYR CG C 7.012 6.269 -2.860 1.00 . A A . 22 TYR CG 1 1 11 7140 1 1 22 TYR CZ C 9.436 5.878 -4.198 1.00 . A A . 22 TYR CZ 1 1 11 7141 1 1 22 TYR H H 3.578 6.107 -0.533 1.00 . A A . 22 TYR H 1 1 11 7142 1 1 22 TYR HA H 6.265 4.775 -0.949 1.00 . A A . 22 TYR HA 1 1 11 7143 1 1 22 TYR HB2 H 4.897 6.111 -2.765 1.00 . A A . 22 TYR HB2 1 1 11 7144 1 1 22 TYR HB3 H 5.559 7.523 -1.945 1.00 . A A . 22 TYR HB3 1 1 11 7145 1 1 22 TYR HD1 H 6.498 4.295 -3.546 1.00 . A A . 22 TYR HD1 1 1 11 7146 1 1 22 TYR HD2 H 7.797 8.201 -2.325 1.00 . A A . 22 TYR HD2 1 1 11 7147 1 1 22 TYR HE1 H 8.644 3.947 -4.733 1.00 . A A . 22 TYR HE1 1 1 11 7148 1 1 22 TYR HE2 H 9.944 7.858 -3.513 1.00 . A A . 22 TYR HE2 1 1 11 7149 1 1 22 TYR HH H 10.436 5.541 -5.789 1.00 . A A . 22 TYR HH 1 1 11 7150 1 1 22 TYR N N 4.308 5.388 -0.442 1.00 . A A . 22 TYR N 1 1 11 7151 1 1 22 TYR O O 5.850 7.560 0.682 1.00 . A A . 22 TYR O 1 1 11 7152 1 1 22 TYR OH O 10.631 5.685 -4.860 1.00 . A A . 22 TYR OH 1 1 11 7153 1 1 23 ALA C C 9.183 7.873 1.197 1.00 . A A . 23 ALA C 1 1 11 7154 1 1 23 ALA CA C 8.198 6.890 1.834 1.00 . A A . 23 ALA CA 1 1 11 7155 1 1 23 ALA CB C 8.953 5.923 2.752 1.00 . A A . 23 ALA CB 1 1 11 7156 1 1 23 ALA H H 7.908 5.289 0.420 1.00 . A A . 23 ALA H 1 1 11 7157 1 1 23 ALA HA H 7.468 7.437 2.413 1.00 . A A . 23 ALA HA 1 1 11 7158 1 1 23 ALA HB1 H 8.314 5.090 3.001 1.00 . A A . 23 ALA HB1 1 1 11 7159 1 1 23 ALA HB2 H 9.240 6.436 3.657 1.00 . A A . 23 ALA HB2 1 1 11 7160 1 1 23 ALA HB3 H 9.837 5.561 2.248 1.00 . A A . 23 ALA HB3 1 1 11 7161 1 1 23 ALA N N 7.507 6.117 0.761 1.00 . A A . 23 ALA N 1 1 11 7162 1 1 23 ALA O O 10.266 7.505 0.790 1.00 . A A . 23 ALA O 1 1 11 7163 1 1 24 TRP C C 11.136 9.953 0.998 1.00 . A A . 24 TRP C 1 1 11 7164 1 1 24 TRP CA C 9.707 10.136 0.487 1.00 . A A . 24 TRP CA 1 1 11 7165 1 1 24 TRP CB C 9.207 11.545 0.835 1.00 . A A . 24 TRP CB 1 1 11 7166 1 1 24 TRP CD1 C 8.771 10.904 3.257 1.00 . A A . 24 TRP CD1 1 1 11 7167 1 1 24 TRP CD2 C 9.728 12.931 3.049 1.00 . A A . 24 TRP CD2 1 1 11 7168 1 1 24 TRP CE2 C 9.544 12.708 4.435 1.00 . A A . 24 TRP CE2 1 1 11 7169 1 1 24 TRP CE3 C 10.316 14.145 2.648 1.00 . A A . 24 TRP CE3 1 1 11 7170 1 1 24 TRP CG C 9.235 11.769 2.319 1.00 . A A . 24 TRP CG 1 1 11 7171 1 1 24 TRP CH2 C 10.509 14.853 4.971 1.00 . A A . 24 TRP CH2 1 1 11 7172 1 1 24 TRP CZ2 C 9.929 13.652 5.387 1.00 . A A . 24 TRP CZ2 1 1 11 7173 1 1 24 TRP CZ3 C 10.702 15.100 3.604 1.00 . A A . 24 TRP CZ3 1 1 11 7174 1 1 24 TRP H H 7.927 9.388 1.432 1.00 . A A . 24 TRP H 1 1 11 7175 1 1 24 TRP HA H 9.696 10.011 -0.589 1.00 . A A . 24 TRP HA 1 1 11 7176 1 1 24 TRP HB2 H 9.843 12.275 0.356 1.00 . A A . 24 TRP HB2 1 1 11 7177 1 1 24 TRP HB3 H 8.198 11.663 0.473 1.00 . A A . 24 TRP HB3 1 1 11 7178 1 1 24 TRP HD1 H 8.329 9.941 3.066 1.00 . A A . 24 TRP HD1 1 1 11 7179 1 1 24 TRP HE1 H 8.710 11.039 5.358 1.00 . A A . 24 TRP HE1 1 1 11 7180 1 1 24 TRP HE3 H 10.469 14.345 1.598 1.00 . A A . 24 TRP HE3 1 1 11 7181 1 1 24 TRP HH2 H 10.808 15.590 5.701 1.00 . A A . 24 TRP HH2 1 1 11 7182 1 1 24 TRP HZ2 H 9.779 13.457 6.438 1.00 . A A . 24 TRP HZ2 1 1 11 7183 1 1 24 TRP HZ3 H 11.152 16.028 3.285 1.00 . A A . 24 TRP HZ3 1 1 11 7184 1 1 24 TRP N N 8.809 9.121 1.104 1.00 . A A . 24 TRP N 1 1 11 7185 1 1 24 TRP NE1 N 8.957 11.461 4.509 1.00 . A A . 24 TRP NE1 1 1 11 7186 1 1 24 TRP O O 12.091 10.272 0.315 1.00 . A A . 24 TRP O 1 1 11 7187 1 1 25 TYR C C 13.063 7.749 2.476 1.00 . A A . 25 TYR C 1 1 11 7188 1 1 25 TYR CA C 12.682 9.210 2.712 1.00 . A A . 25 TYR CA 1 1 11 7189 1 1 25 TYR CB C 12.732 9.536 4.217 1.00 . A A . 25 TYR CB 1 1 11 7190 1 1 25 TYR CD1 C 10.974 8.077 5.301 1.00 . A A . 25 TYR CD1 1 1 11 7191 1 1 25 TYR CD2 C 13.311 7.480 5.560 1.00 . A A . 25 TYR CD2 1 1 11 7192 1 1 25 TYR CE1 C 10.607 6.967 6.073 1.00 . A A . 25 TYR CE1 1 1 11 7193 1 1 25 TYR CE2 C 12.942 6.370 6.334 1.00 . A A . 25 TYR CE2 1 1 11 7194 1 1 25 TYR CG C 12.328 8.333 5.043 1.00 . A A . 25 TYR CG 1 1 11 7195 1 1 25 TYR CZ C 11.590 6.115 6.591 1.00 . A A . 25 TYR CZ 1 1 11 7196 1 1 25 TYR H H 10.485 9.153 2.748 1.00 . A A . 25 TYR H 1 1 11 7197 1 1 25 TYR HA H 13.375 9.848 2.182 1.00 . A A . 25 TYR HA 1 1 11 7198 1 1 25 TYR HB2 H 13.737 9.826 4.483 1.00 . A A . 25 TYR HB2 1 1 11 7199 1 1 25 TYR HB3 H 12.058 10.355 4.425 1.00 . A A . 25 TYR HB3 1 1 11 7200 1 1 25 TYR HD1 H 10.215 8.733 4.901 1.00 . A A . 25 TYR HD1 1 1 11 7201 1 1 25 TYR HD2 H 14.354 7.676 5.362 1.00 . A A . 25 TYR HD2 1 1 11 7202 1 1 25 TYR HE1 H 9.562 6.771 6.271 1.00 . A A . 25 TYR HE1 1 1 11 7203 1 1 25 TYR HE2 H 13.701 5.713 6.733 1.00 . A A . 25 TYR HE2 1 1 11 7204 1 1 25 TYR HH H 11.395 4.230 6.843 1.00 . A A . 25 TYR HH 1 1 11 7205 1 1 25 TYR N N 11.303 9.422 2.184 1.00 . A A . 25 TYR N 1 1 11 7206 1 1 25 TYR O O 12.228 6.867 2.509 1.00 . A A . 25 TYR O 1 1 11 7207 1 1 25 TYR OH O 11.224 5.025 7.356 1.00 . A A . 25 TYR OH 1 1 11 7208 1 1 26 ASN C C 14.021 5.548 0.720 1.00 . A A . 26 ASN C 1 1 11 7209 1 1 26 ASN CA C 14.751 6.087 1.957 1.00 . A A . 26 ASN CA 1 1 11 7210 1 1 26 ASN CB C 14.426 5.195 3.167 1.00 . A A . 26 ASN CB 1 1 11 7211 1 1 26 ASN CG C 15.692 4.953 3.992 1.00 . A A . 26 ASN CG 1 1 11 7212 1 1 26 ASN H H 14.962 8.221 2.182 1.00 . A A . 26 ASN H 1 1 11 7213 1 1 26 ASN HA H 15.817 6.077 1.774 1.00 . A A . 26 ASN HA 1 1 11 7214 1 1 26 ASN HB2 H 13.684 5.672 3.786 1.00 . A A . 26 ASN HB2 1 1 11 7215 1 1 26 ASN HB3 H 14.043 4.246 2.825 1.00 . A A . 26 ASN HB3 1 1 11 7216 1 1 26 ASN HD21 H 16.371 3.525 2.788 1.00 . A A . 26 ASN HD21 1 1 11 7217 1 1 26 ASN HD22 H 17.355 3.880 4.124 1.00 . A A . 26 ASN HD22 1 1 11 7218 1 1 26 ASN N N 14.311 7.490 2.219 1.00 . A A . 26 ASN N 1 1 11 7219 1 1 26 ASN ND2 N 16.544 4.044 3.602 1.00 . A A . 26 ASN ND2 1 1 11 7220 1 1 26 ASN O O 14.272 4.444 0.278 1.00 . A A . 26 ASN O 1 1 11 7221 1 1 26 ASN OD1 O 15.904 5.594 5.002 1.00 . A A . 26 ASN OD1 1 1 11 7222 1 1 27 GLN C C 11.928 4.392 -0.813 1.00 . A A . 27 GLN C 1 1 11 7223 1 1 27 GLN CA C 12.391 5.836 -1.051 1.00 . A A . 27 GLN CA 1 1 11 7224 1 1 27 GLN CB C 13.333 5.909 -2.266 1.00 . A A . 27 GLN CB 1 1 11 7225 1 1 27 GLN CD C 13.033 8.398 -2.258 1.00 . A A . 27 GLN CD 1 1 11 7226 1 1 27 GLN CG C 12.983 7.133 -3.120 1.00 . A A . 27 GLN CG 1 1 11 7227 1 1 27 GLN H H 12.939 7.205 0.522 1.00 . A A . 27 GLN H 1 1 11 7228 1 1 27 GLN HA H 11.528 6.466 -1.221 1.00 . A A . 27 GLN HA 1 1 11 7229 1 1 27 GLN HB2 H 14.354 5.994 -1.924 1.00 . A A . 27 GLN HB2 1 1 11 7230 1 1 27 GLN HB3 H 13.229 5.017 -2.867 1.00 . A A . 27 GLN HB3 1 1 11 7231 1 1 27 GLN HE21 H 11.158 8.918 -2.660 1.00 . A A . 27 GLN HE21 1 1 11 7232 1 1 27 GLN HE22 H 11.998 9.971 -1.626 1.00 . A A . 27 GLN HE22 1 1 11 7233 1 1 27 GLN HG2 H 13.694 7.221 -3.929 1.00 . A A . 27 GLN HG2 1 1 11 7234 1 1 27 GLN HG3 H 11.992 7.014 -3.526 1.00 . A A . 27 GLN HG3 1 1 11 7235 1 1 27 GLN N N 13.126 6.316 0.155 1.00 . A A . 27 GLN N 1 1 11 7236 1 1 27 GLN NE2 N 11.974 9.158 -2.174 1.00 . A A . 27 GLN NE2 1 1 11 7237 1 1 27 GLN O O 12.155 3.510 -1.618 1.00 . A A . 27 GLN O 1 1 11 7238 1 1 27 GLN OE1 O 14.043 8.695 -1.653 1.00 . A A . 27 GLN OE1 1 1 11 7239 1 1 28 GLN C C 9.265 2.800 0.655 1.00 . A A . 28 GLN C 1 1 11 7240 1 1 28 GLN CA C 10.791 2.775 0.613 1.00 . A A . 28 GLN CA 1 1 11 7241 1 1 28 GLN CB C 11.346 2.354 1.982 1.00 . A A . 28 GLN CB 1 1 11 7242 1 1 28 GLN CD C 13.143 0.887 1.043 1.00 . A A . 28 GLN CD 1 1 11 7243 1 1 28 GLN CG C 11.889 0.925 1.921 1.00 . A A . 28 GLN CG 1 1 11 7244 1 1 28 GLN H H 11.107 4.879 0.929 1.00 . A A . 28 GLN H 1 1 11 7245 1 1 28 GLN HA H 11.122 2.084 -0.150 1.00 . A A . 28 GLN HA 1 1 11 7246 1 1 28 GLN HB2 H 12.143 3.021 2.258 1.00 . A A . 28 GLN HB2 1 1 11 7247 1 1 28 GLN HB3 H 10.563 2.407 2.723 1.00 . A A . 28 GLN HB3 1 1 11 7248 1 1 28 GLN HE21 H 13.115 2.838 0.667 1.00 . A A . 28 GLN HE21 1 1 11 7249 1 1 28 GLN HE22 H 14.386 1.978 -0.056 1.00 . A A . 28 GLN HE22 1 1 11 7250 1 1 28 GLN HG2 H 12.141 0.596 2.920 1.00 . A A . 28 GLN HG2 1 1 11 7251 1 1 28 GLN HG3 H 11.139 0.270 1.506 1.00 . A A . 28 GLN HG3 1 1 11 7252 1 1 28 GLN N N 11.278 4.150 0.297 1.00 . A A . 28 GLN N 1 1 11 7253 1 1 28 GLN NE2 N 13.585 1.993 0.506 1.00 . A A . 28 GLN NE2 1 1 11 7254 1 1 28 GLN O O 8.671 3.677 1.247 1.00 . A A . 28 GLN O 1 1 11 7255 1 1 28 GLN OE1 O 13.727 -0.159 0.847 1.00 . A A . 28 GLN OE1 1 1 11 7256 1 1 29 SER C C 6.578 0.945 1.099 1.00 . A A . 29 SER C 1 1 11 7257 1 1 29 SER CA C 7.132 1.869 0.010 1.00 . A A . 29 SER CA 1 1 11 7258 1 1 29 SER CB C 6.635 1.401 -1.351 1.00 . A A . 29 SER CB 1 1 11 7259 1 1 29 SER H H 9.112 1.172 -0.472 1.00 . A A . 29 SER H 1 1 11 7260 1 1 29 SER HA H 6.782 2.871 0.189 1.00 . A A . 29 SER HA 1 1 11 7261 1 1 29 SER HB2 H 6.840 0.352 -1.474 1.00 . A A . 29 SER HB2 1 1 11 7262 1 1 29 SER HB3 H 5.575 1.566 -1.406 1.00 . A A . 29 SER HB3 1 1 11 7263 1 1 29 SER HG H 7.299 1.597 -3.171 1.00 . A A . 29 SER HG 1 1 11 7264 1 1 29 SER N N 8.619 1.865 0.016 1.00 . A A . 29 SER N 1 1 11 7265 1 1 29 SER O O 6.887 -0.224 1.146 1.00 . A A . 29 SER O 1 1 11 7266 1 1 29 SER OG O 7.297 2.133 -2.375 1.00 . A A . 29 SER OG 1 1 11 7267 1 1 30 SER C C 3.695 0.329 2.729 1.00 . A A . 30 SER C 1 1 11 7268 1 1 30 SER CA C 5.162 0.637 3.048 1.00 . A A . 30 SER CA 1 1 11 7269 1 1 30 SER CB C 5.232 1.411 4.369 1.00 . A A . 30 SER CB 1 1 11 7270 1 1 30 SER H H 5.506 2.394 1.907 1.00 . A A . 30 SER H 1 1 11 7271 1 1 30 SER HA H 5.719 -0.268 3.134 1.00 . A A . 30 SER HA 1 1 11 7272 1 1 30 SER HB2 H 5.428 0.730 5.183 1.00 . A A . 30 SER HB2 1 1 11 7273 1 1 30 SER HB3 H 6.029 2.140 4.314 1.00 . A A . 30 SER HB3 1 1 11 7274 1 1 30 SER HG H 4.169 2.902 5.033 1.00 . A A . 30 SER HG 1 1 11 7275 1 1 30 SER N N 5.747 1.464 1.968 1.00 . A A . 30 SER N 1 1 11 7276 1 1 30 SER O O 2.882 1.222 2.629 1.00 . A A . 30 SER O 1 1 11 7277 1 1 30 SER OG O 3.988 2.066 4.597 1.00 . A A . 30 SER OG 1 1 11 7278 1 1 31 CYS C C 1.055 -0.835 3.487 1.00 . A A . 31 CYS C 1 1 11 7279 1 1 31 CYS CA C 1.911 -1.230 2.282 1.00 . A A . 31 CYS CA 1 1 11 7280 1 1 31 CYS CB C 1.734 -2.724 2.015 1.00 . A A . 31 CYS CB 1 1 11 7281 1 1 31 CYS H H 3.997 -1.639 2.671 1.00 . A A . 31 CYS H 1 1 11 7282 1 1 31 CYS HA H 1.601 -0.669 1.417 1.00 . A A . 31 CYS HA 1 1 11 7283 1 1 31 CYS HB2 H 2.106 -3.280 2.858 1.00 . A A . 31 CYS HB2 1 1 11 7284 1 1 31 CYS HB3 H 0.691 -2.936 1.890 1.00 . A A . 31 CYS HB3 1 1 11 7285 1 1 31 CYS N N 3.338 -0.919 2.580 1.00 . A A . 31 CYS N 1 1 11 7286 1 1 31 CYS O O 1.462 -0.992 4.622 1.00 . A A . 31 CYS O 1 1 11 7287 1 1 31 CYS SG S 2.644 -3.219 0.527 1.00 . A A . 31 CYS SG 1 1 11 7288 1 1 32 GLU C C -2.473 -0.241 4.108 1.00 . A A . 32 GLU C 1 1 11 7289 1 1 32 GLU CA C -0.997 0.078 4.409 1.00 . A A . 32 GLU CA 1 1 11 7290 1 1 32 GLU CB C -0.801 1.578 4.696 1.00 . A A . 32 GLU CB 1 1 11 7291 1 1 32 GLU CD C -1.982 3.782 4.700 1.00 . A A . 32 GLU CD 1 1 11 7292 1 1 32 GLU CG C -1.900 2.408 4.031 1.00 . A A . 32 GLU CG 1 1 11 7293 1 1 32 GLU H H -0.442 -0.201 2.340 1.00 . A A . 32 GLU H 1 1 11 7294 1 1 32 GLU HA H -0.705 -0.480 5.283 1.00 . A A . 32 GLU HA 1 1 11 7295 1 1 32 GLU HB2 H -0.829 1.745 5.764 1.00 . A A . 32 GLU HB2 1 1 11 7296 1 1 32 GLU HB3 H 0.159 1.890 4.313 1.00 . A A . 32 GLU HB3 1 1 11 7297 1 1 32 GLU HG2 H -1.676 2.528 2.981 1.00 . A A . 32 GLU HG2 1 1 11 7298 1 1 32 GLU HG3 H -2.842 1.905 4.145 1.00 . A A . 32 GLU HG3 1 1 11 7299 1 1 32 GLU N N -0.129 -0.322 3.260 1.00 . A A . 32 GLU N 1 1 11 7300 1 1 32 GLU O O -2.958 -0.056 3.010 1.00 . A A . 32 GLU O 1 1 11 7301 1 1 32 GLU OE1 O -1.283 4.678 4.260 1.00 . A A . 32 GLU OE1 1 1 11 7302 1 1 32 GLU OE2 O -2.747 3.912 5.643 1.00 . A A . 32 GLU OE2 1 1 11 7303 1 1 33 ARG C C -5.486 0.162 4.640 1.00 . A A . 33 ARG C 1 1 11 7304 1 1 33 ARG CA C -4.620 -1.073 4.947 1.00 . A A . 33 ARG CA 1 1 11 7305 1 1 33 ARG CB C -5.099 -1.737 6.247 1.00 . A A . 33 ARG CB 1 1 11 7306 1 1 33 ARG CD C -4.476 0.547 7.250 1.00 . A A . 33 ARG CD 1 1 11 7307 1 1 33 ARG CG C -5.371 -0.708 7.374 1.00 . A A . 33 ARG CG 1 1 11 7308 1 1 33 ARG CZ C -4.297 1.876 9.290 1.00 . A A . 33 ARG CZ 1 1 11 7309 1 1 33 ARG H H -2.742 -0.855 5.968 1.00 . A A . 33 ARG H 1 1 11 7310 1 1 33 ARG HA H -4.725 -1.781 4.138 1.00 . A A . 33 ARG HA 1 1 11 7311 1 1 33 ARG HB2 H -6.008 -2.279 6.041 1.00 . A A . 33 ARG HB2 1 1 11 7312 1 1 33 ARG HB3 H -4.344 -2.436 6.582 1.00 . A A . 33 ARG HB3 1 1 11 7313 1 1 33 ARG HD2 H -3.689 0.371 6.545 1.00 . A A . 33 ARG HD2 1 1 11 7314 1 1 33 ARG HD3 H -5.070 1.383 6.916 1.00 . A A . 33 ARG HD3 1 1 11 7315 1 1 33 ARG HE H -3.136 0.314 8.911 1.00 . A A . 33 ARG HE 1 1 11 7316 1 1 33 ARG HG2 H -6.407 -0.409 7.339 1.00 . A A . 33 ARG HG2 1 1 11 7317 1 1 33 ARG HG3 H -5.182 -1.180 8.327 1.00 . A A . 33 ARG HG3 1 1 11 7318 1 1 33 ARG HH11 H -5.742 2.402 8.005 1.00 . A A . 33 ARG HH11 1 1 11 7319 1 1 33 ARG HH12 H -5.611 3.379 9.426 1.00 . A A . 33 ARG HH12 1 1 11 7320 1 1 33 ARG HH21 H -2.971 1.585 10.763 1.00 . A A . 33 ARG HH21 1 1 11 7321 1 1 33 ARG HH22 H -4.051 2.923 10.977 1.00 . A A . 33 ARG HH22 1 1 11 7322 1 1 33 ARG N N -3.174 -0.724 5.099 1.00 . A A . 33 ARG N 1 1 11 7323 1 1 33 ARG NE N -3.871 0.863 8.577 1.00 . A A . 33 ARG NE 1 1 11 7324 1 1 33 ARG NH1 N -5.294 2.609 8.873 1.00 . A A . 33 ARG NH1 1 1 11 7325 1 1 33 ARG NH2 N -3.729 2.148 10.433 1.00 . A A . 33 ARG NH2 1 1 11 7326 1 1 33 ARG O O -6.396 0.486 5.376 1.00 . A A . 33 ARG O 1 1 11 7327 1 1 34 LYS C C -7.564 1.668 3.214 1.00 . A A . 34 LYS C 1 1 11 7328 1 1 34 LYS CA C -6.076 2.040 3.239 1.00 . A A . 34 LYS CA 1 1 11 7329 1 1 34 LYS CB C -5.685 2.597 1.862 1.00 . A A . 34 LYS CB 1 1 11 7330 1 1 34 LYS CD C -6.039 5.068 2.129 1.00 . A A . 34 LYS CD 1 1 11 7331 1 1 34 LYS CE C -6.298 5.689 0.751 1.00 . A A . 34 LYS CE 1 1 11 7332 1 1 34 LYS CG C -4.983 3.955 2.009 1.00 . A A . 34 LYS CG 1 1 11 7333 1 1 34 LYS H H -4.519 0.579 2.959 1.00 . A A . 34 LYS H 1 1 11 7334 1 1 34 LYS HA H -5.912 2.786 3.991 1.00 . A A . 34 LYS HA 1 1 11 7335 1 1 34 LYS HB2 H -5.021 1.902 1.377 1.00 . A A . 34 LYS HB2 1 1 11 7336 1 1 34 LYS HB3 H -6.571 2.720 1.258 1.00 . A A . 34 LYS HB3 1 1 11 7337 1 1 34 LYS HD2 H -6.960 4.656 2.515 1.00 . A A . 34 LYS HD2 1 1 11 7338 1 1 34 LYS HD3 H -5.682 5.834 2.800 1.00 . A A . 34 LYS HD3 1 1 11 7339 1 1 34 LYS HE2 H -7.026 6.482 0.846 1.00 . A A . 34 LYS HE2 1 1 11 7340 1 1 34 LYS HE3 H -5.378 6.090 0.355 1.00 . A A . 34 LYS HE3 1 1 11 7341 1 1 34 LYS HG2 H -4.357 3.949 2.894 1.00 . A A . 34 LYS HG2 1 1 11 7342 1 1 34 LYS HG3 H -4.369 4.134 1.142 1.00 . A A . 34 LYS HG3 1 1 11 7343 1 1 34 LYS HZ1 H -7.558 4.089 0.310 1.00 . A A . 34 LYS HZ1 1 1 11 7344 1 1 34 LYS HZ2 H -6.052 4.015 -0.463 1.00 . A A . 34 LYS HZ2 1 1 11 7345 1 1 34 LYS HZ3 H -7.236 5.102 -1.015 1.00 . A A . 34 LYS HZ3 1 1 11 7346 1 1 34 LYS N N -5.241 0.846 3.561 1.00 . A A . 34 LYS N 1 1 11 7347 1 1 34 LYS NZ N -6.824 4.645 -0.175 1.00 . A A . 34 LYS NZ 1 1 11 7348 1 1 34 LYS O O -8.410 2.512 2.997 1.00 . A A . 34 LYS O 1 1 11 7349 1 1 35 TRP C C -9.766 -0.567 4.710 1.00 . A A . 35 TRP C 1 1 11 7350 1 1 35 TRP CA C -9.333 0.016 3.357 1.00 . A A . 35 TRP CA 1 1 11 7351 1 1 35 TRP CB C -9.518 -1.023 2.252 1.00 . A A . 35 TRP CB 1 1 11 7352 1 1 35 TRP CD1 C -7.454 -0.684 0.829 1.00 . A A . 35 TRP CD1 1 1 11 7353 1 1 35 TRP CD2 C -9.322 0.066 -0.179 1.00 . A A . 35 TRP CD2 1 1 11 7354 1 1 35 TRP CE2 C -8.250 0.314 -1.070 1.00 . A A . 35 TRP CE2 1 1 11 7355 1 1 35 TRP CE3 C -10.617 0.446 -0.580 1.00 . A A . 35 TRP CE3 1 1 11 7356 1 1 35 TRP CG C -8.789 -0.569 1.023 1.00 . A A . 35 TRP CG 1 1 11 7357 1 1 35 TRP CH2 C -9.745 1.288 -2.694 1.00 . A A . 35 TRP CH2 1 1 11 7358 1 1 35 TRP CZ2 C -8.454 0.918 -2.313 1.00 . A A . 35 TRP CZ2 1 1 11 7359 1 1 35 TRP CZ3 C -10.825 1.054 -1.831 1.00 . A A . 35 TRP CZ3 1 1 11 7360 1 1 35 TRP H H -7.199 -0.251 3.557 1.00 . A A . 35 TRP H 1 1 11 7361 1 1 35 TRP HA H -9.945 0.880 3.135 1.00 . A A . 35 TRP HA 1 1 11 7362 1 1 35 TRP HB2 H -9.122 -1.973 2.580 1.00 . A A . 35 TRP HB2 1 1 11 7363 1 1 35 TRP HB3 H -10.570 -1.127 2.028 1.00 . A A . 35 TRP HB3 1 1 11 7364 1 1 35 TRP HD1 H -6.753 -1.112 1.529 1.00 . A A . 35 TRP HD1 1 1 11 7365 1 1 35 TRP HE1 H -6.232 -0.122 -0.793 1.00 . A A . 35 TRP HE1 1 1 11 7366 1 1 35 TRP HE3 H -11.455 0.269 0.076 1.00 . A A . 35 TRP HE3 1 1 11 7367 1 1 35 TRP HH2 H -9.912 1.756 -3.654 1.00 . A A . 35 TRP HH2 1 1 11 7368 1 1 35 TRP HZ2 H -7.619 1.098 -2.974 1.00 . A A . 35 TRP HZ2 1 1 11 7369 1 1 35 TRP HZ3 H -11.823 1.341 -2.129 1.00 . A A . 35 TRP HZ3 1 1 11 7370 1 1 35 TRP N N -7.892 0.421 3.403 1.00 . A A . 35 TRP N 1 1 11 7371 1 1 35 TRP NE1 N -7.133 -0.160 -0.411 1.00 . A A . 35 TRP NE1 1 1 11 7372 1 1 35 TRP O O -9.033 -0.534 5.677 1.00 . A A . 35 TRP O 1 1 11 7373 1 1 36 LYS C C -10.590 -2.759 6.609 1.00 . A A . 36 LYS C 1 1 11 7374 1 1 36 LYS CA C -11.490 -1.639 6.072 1.00 . A A . 36 LYS CA 1 1 11 7375 1 1 36 LYS CB C -12.893 -2.206 5.843 1.00 . A A . 36 LYS CB 1 1 11 7376 1 1 36 LYS CD C -14.291 -0.680 7.274 1.00 . A A . 36 LYS CD 1 1 11 7377 1 1 36 LYS CE C -15.221 -1.733 7.888 1.00 . A A . 36 LYS CE 1 1 11 7378 1 1 36 LYS CG C -13.928 -1.075 5.835 1.00 . A A . 36 LYS CG 1 1 11 7379 1 1 36 LYS H H -11.546 -1.071 3.994 1.00 . A A . 36 LYS H 1 1 11 7380 1 1 36 LYS HA H -11.541 -0.848 6.805 1.00 . A A . 36 LYS HA 1 1 11 7381 1 1 36 LYS HB2 H -12.918 -2.718 4.890 1.00 . A A . 36 LYS HB2 1 1 11 7382 1 1 36 LYS HB3 H -13.130 -2.906 6.627 1.00 . A A . 36 LYS HB3 1 1 11 7383 1 1 36 LYS HD2 H -13.394 -0.607 7.870 1.00 . A A . 36 LYS HD2 1 1 11 7384 1 1 36 LYS HD3 H -14.792 0.276 7.266 1.00 . A A . 36 LYS HD3 1 1 11 7385 1 1 36 LYS HE2 H -16.054 -1.912 7.224 1.00 . A A . 36 LYS HE2 1 1 11 7386 1 1 36 LYS HE3 H -14.677 -2.652 8.037 1.00 . A A . 36 LYS HE3 1 1 11 7387 1 1 36 LYS HG2 H -13.517 -0.218 5.320 1.00 . A A . 36 LYS HG2 1 1 11 7388 1 1 36 LYS HG3 H -14.816 -1.408 5.321 1.00 . A A . 36 LYS HG3 1 1 11 7389 1 1 36 LYS HZ1 H -16.284 -1.996 9.658 1.00 . A A . 36 LYS HZ1 1 1 11 7390 1 1 36 LYS HZ2 H -16.331 -0.412 9.054 1.00 . A A . 36 LYS HZ2 1 1 11 7391 1 1 36 LYS HZ3 H -14.923 -0.990 9.809 1.00 . A A . 36 LYS HZ3 1 1 11 7392 1 1 36 LYS N N -10.969 -1.076 4.785 1.00 . A A . 36 LYS N 1 1 11 7393 1 1 36 LYS NZ N -15.728 -1.246 9.201 1.00 . A A . 36 LYS NZ 1 1 11 7394 1 1 36 LYS O O -10.991 -3.518 7.470 1.00 . A A . 36 LYS O 1 1 11 7395 1 1 37 TYR C C -9.116 -5.309 6.650 1.00 . A A . 37 TYR C 1 1 11 7396 1 1 37 TYR CA C -8.450 -3.924 6.614 1.00 . A A . 37 TYR CA 1 1 11 7397 1 1 37 TYR CB C -7.914 -3.566 8.016 1.00 . A A . 37 TYR CB 1 1 11 7398 1 1 37 TYR CD1 C -9.155 -1.459 8.655 1.00 . A A . 37 TYR CD1 1 1 11 7399 1 1 37 TYR CD2 C -9.737 -3.531 9.774 1.00 . A A . 37 TYR CD2 1 1 11 7400 1 1 37 TYR CE1 C -10.119 -0.780 9.414 1.00 . A A . 37 TYR CE1 1 1 11 7401 1 1 37 TYR CE2 C -10.700 -2.848 10.535 1.00 . A A . 37 TYR CE2 1 1 11 7402 1 1 37 TYR CG C -8.962 -2.837 8.832 1.00 . A A . 37 TYR CG 1 1 11 7403 1 1 37 TYR CZ C -10.890 -1.473 10.354 1.00 . A A . 37 TYR CZ 1 1 11 7404 1 1 37 TYR H H -9.074 -2.203 5.400 1.00 . A A . 37 TYR H 1 1 11 7405 1 1 37 TYR HA H -7.618 -3.975 5.930 1.00 . A A . 37 TYR HA 1 1 11 7406 1 1 37 TYR HB2 H -7.630 -4.472 8.534 1.00 . A A . 37 TYR HB2 1 1 11 7407 1 1 37 TYR HB3 H -7.048 -2.936 7.911 1.00 . A A . 37 TYR HB3 1 1 11 7408 1 1 37 TYR HD1 H -8.564 -0.920 7.930 1.00 . A A . 37 TYR HD1 1 1 11 7409 1 1 37 TYR HD2 H -9.593 -4.592 9.915 1.00 . A A . 37 TYR HD2 1 1 11 7410 1 1 37 TYR HE1 H -10.263 0.280 9.273 1.00 . A A . 37 TYR HE1 1 1 11 7411 1 1 37 TYR HE2 H -11.294 -3.382 11.262 1.00 . A A . 37 TYR HE2 1 1 11 7412 1 1 37 TYR HH H -12.424 -1.453 11.496 1.00 . A A . 37 TYR HH 1 1 11 7413 1 1 37 TYR N N -9.387 -2.862 6.127 1.00 . A A . 37 TYR N 1 1 11 7414 1 1 37 TYR O O -8.468 -6.294 6.944 1.00 . A A . 37 TYR O 1 1 11 7415 1 1 37 TYR OH O -11.839 -0.801 11.101 1.00 . A A . 37 TYR OH 1 1 11 7416 1 1 38 LEU C C -11.064 -7.340 4.953 1.00 . A A . 38 LEU C 1 1 11 7417 1 1 38 LEU CA C -11.029 -6.756 6.368 1.00 . A A . 38 LEU CA 1 1 11 7418 1 1 38 LEU CB C -12.473 -6.664 6.895 1.00 . A A . 38 LEU CB 1 1 11 7419 1 1 38 LEU CD1 C -13.826 -7.159 8.935 1.00 . A A . 38 LEU CD1 1 1 11 7420 1 1 38 LEU CD2 C -11.347 -7.205 9.119 1.00 . A A . 38 LEU CD2 1 1 11 7421 1 1 38 LEU CG C -12.532 -6.516 8.432 1.00 . A A . 38 LEU CG 1 1 11 7422 1 1 38 LEU H H -10.895 -4.639 6.113 1.00 . A A . 38 LEU H 1 1 11 7423 1 1 38 LEU HA H -10.456 -7.401 6.985 1.00 . A A . 38 LEU HA 1 1 11 7424 1 1 38 LEU HB2 H -12.953 -5.807 6.446 1.00 . A A . 38 LEU HB2 1 1 11 7425 1 1 38 LEU HB3 H -13.009 -7.555 6.606 1.00 . A A . 38 LEU HB3 1 1 11 7426 1 1 38 LEU HD11 H -14.652 -6.826 8.325 1.00 . A A . 38 LEU HD11 1 1 11 7427 1 1 38 LEU HD12 H -13.995 -6.872 9.960 1.00 . A A . 38 LEU HD12 1 1 11 7428 1 1 38 LEU HD13 H -13.740 -8.235 8.871 1.00 . A A . 38 LEU HD13 1 1 11 7429 1 1 38 LEU HD21 H -11.542 -7.271 10.180 1.00 . A A . 38 LEU HD21 1 1 11 7430 1 1 38 LEU HD22 H -10.448 -6.628 8.956 1.00 . A A . 38 LEU HD22 1 1 11 7431 1 1 38 LEU HD23 H -11.221 -8.201 8.719 1.00 . A A . 38 LEU HD23 1 1 11 7432 1 1 38 LEU HG H -12.538 -5.466 8.688 1.00 . A A . 38 LEU HG 1 1 11 7433 1 1 38 LEU N N -10.382 -5.417 6.351 1.00 . A A . 38 LEU N 1 1 11 7434 1 1 38 LEU O O -10.452 -8.353 4.677 1.00 . A A . 38 LEU O 1 1 11 7435 1 1 39 PHE C C -12.817 -6.403 1.846 1.00 . A A . 39 PHE C 1 1 11 7436 1 1 39 PHE CA C -11.881 -7.275 2.677 1.00 . A A . 39 PHE CA 1 1 11 7437 1 1 39 PHE CB C -12.441 -8.708 2.737 1.00 . A A . 39 PHE CB 1 1 11 7438 1 1 39 PHE CD1 C -11.206 -9.230 0.595 1.00 . A A . 39 PHE CD1 1 1 11 7439 1 1 39 PHE CD2 C -11.259 -10.901 2.351 1.00 . A A . 39 PHE CD2 1 1 11 7440 1 1 39 PHE CE1 C -10.446 -10.095 -0.204 1.00 . A A . 39 PHE CE1 1 1 11 7441 1 1 39 PHE CE2 C -10.501 -11.766 1.553 1.00 . A A . 39 PHE CE2 1 1 11 7442 1 1 39 PHE CG C -11.612 -9.633 1.872 1.00 . A A . 39 PHE CG 1 1 11 7443 1 1 39 PHE CZ C -10.095 -11.363 0.276 1.00 . A A . 39 PHE CZ 1 1 11 7444 1 1 39 PHE H H -12.294 -5.924 4.301 1.00 . A A . 39 PHE H 1 1 11 7445 1 1 39 PHE HA H -10.913 -7.281 2.232 1.00 . A A . 39 PHE HA 1 1 11 7446 1 1 39 PHE HB2 H -12.422 -9.060 3.755 1.00 . A A . 39 PHE HB2 1 1 11 7447 1 1 39 PHE HB3 H -13.461 -8.714 2.382 1.00 . A A . 39 PHE HB3 1 1 11 7448 1 1 39 PHE HD1 H -11.476 -8.253 0.228 1.00 . A A . 39 PHE HD1 1 1 11 7449 1 1 39 PHE HD2 H -11.572 -11.214 3.339 1.00 . A A . 39 PHE HD2 1 1 11 7450 1 1 39 PHE HE1 H -10.134 -9.783 -1.188 1.00 . A A . 39 PHE HE1 1 1 11 7451 1 1 39 PHE HE2 H -10.229 -12.744 1.922 1.00 . A A . 39 PHE HE2 1 1 11 7452 1 1 39 PHE HZ H -9.511 -12.029 -0.340 1.00 . A A . 39 PHE HZ 1 1 11 7453 1 1 39 PHE N N -11.792 -6.729 4.060 1.00 . A A . 39 PHE N 1 1 11 7454 1 1 39 PHE O O -12.406 -5.690 0.953 1.00 . A A . 39 PHE O 1 1 11 7455 1 1 40 THR C C -14.995 -6.074 -0.099 1.00 . A A . 40 THR C 1 1 11 7456 1 1 40 THR CA C -15.084 -5.683 1.380 1.00 . A A . 40 THR CA 1 1 11 7457 1 1 40 THR CB C -14.795 -4.179 1.557 1.00 . A A . 40 THR CB 1 1 11 7458 1 1 40 THR CG2 C -16.022 -3.474 2.145 1.00 . A A . 40 THR CG2 1 1 11 7459 1 1 40 THR H H -14.352 -7.074 2.855 1.00 . A A . 40 THR H 1 1 11 7460 1 1 40 THR HA H -16.074 -5.912 1.751 1.00 . A A . 40 THR HA 1 1 11 7461 1 1 40 THR HB H -14.558 -3.736 0.602 1.00 . A A . 40 THR HB 1 1 11 7462 1 1 40 THR HG1 H -13.651 -4.786 3.007 1.00 . A A . 40 THR HG1 1 1 11 7463 1 1 40 THR HG21 H -16.814 -3.456 1.411 1.00 . A A . 40 THR HG21 1 1 11 7464 1 1 40 THR HG22 H -15.758 -2.461 2.416 1.00 . A A . 40 THR HG22 1 1 11 7465 1 1 40 THR HG23 H -16.358 -4.004 3.025 1.00 . A A . 40 THR HG23 1 1 11 7466 1 1 40 THR N N -14.074 -6.478 2.138 1.00 . A A . 40 THR N 1 1 11 7467 1 1 40 THR O O -14.429 -5.368 -0.909 1.00 . A A . 40 THR O 1 1 11 7468 1 1 40 THR OG1 O -13.692 -4.016 2.437 1.00 . A A . 40 THR OG1 1 1 11 7469 1 1 41 GLY C C -14.048 -8.151 -2.157 1.00 . A A . 41 GLY C 1 1 11 7470 1 1 41 GLY CA C -15.462 -7.653 -1.870 1.00 . A A . 41 GLY CA 1 1 11 7471 1 1 41 GLY H H -15.976 -7.772 0.218 1.00 . A A . 41 GLY H 1 1 11 7472 1 1 41 GLY HA2 H -16.168 -8.456 -2.036 1.00 . A A . 41 GLY HA2 1 1 11 7473 1 1 41 GLY HA3 H -15.691 -6.826 -2.525 1.00 . A A . 41 GLY HA3 1 1 11 7474 1 1 41 GLY N N -15.536 -7.207 -0.453 1.00 . A A . 41 GLY N 1 1 11 7475 1 1 41 GLY O O -13.189 -8.122 -1.300 1.00 . A A . 41 GLY O 1 1 11 7476 1 1 42 GLU C C -11.602 -8.000 -4.272 1.00 . A A . 42 GLU C 1 1 11 7477 1 1 42 GLU CA C -12.445 -9.128 -3.666 1.00 . A A . 42 GLU CA 1 1 11 7478 1 1 42 GLU CB C -12.576 -10.280 -4.671 1.00 . A A . 42 GLU CB 1 1 11 7479 1 1 42 GLU CD C -14.144 -11.933 -5.696 1.00 . A A . 42 GLU CD 1 1 11 7480 1 1 42 GLU CG C -14.051 -10.658 -4.859 1.00 . A A . 42 GLU CG 1 1 11 7481 1 1 42 GLU H H -14.493 -8.651 -4.019 1.00 . A A . 42 GLU H 1 1 11 7482 1 1 42 GLU HA H -11.970 -9.489 -2.764 1.00 . A A . 42 GLU HA 1 1 11 7483 1 1 42 GLU HB2 H -12.153 -9.991 -5.624 1.00 . A A . 42 GLU HB2 1 1 11 7484 1 1 42 GLU HB3 H -12.051 -11.128 -4.291 1.00 . A A . 42 GLU HB3 1 1 11 7485 1 1 42 GLU HG2 H -14.507 -10.828 -3.894 1.00 . A A . 42 GLU HG2 1 1 11 7486 1 1 42 GLU HG3 H -14.568 -9.859 -5.368 1.00 . A A . 42 GLU HG3 1 1 11 7487 1 1 42 GLU N N -13.795 -8.619 -3.344 1.00 . A A . 42 GLU N 1 1 11 7488 1 1 42 GLU O O -12.061 -7.248 -5.109 1.00 . A A . 42 GLU O 1 1 11 7489 1 1 42 GLU OE1 O -13.447 -12.015 -6.694 1.00 . A A . 42 GLU OE1 1 1 11 7490 1 1 42 GLU OE2 O -14.912 -12.807 -5.325 1.00 . A A . 42 GLU OE2 1 1 11 7491 1 1 43 CYS C C -9.661 -6.721 -5.908 1.00 . A A . 43 CYS C 1 1 11 7492 1 1 43 CYS CA C -9.478 -6.817 -4.389 1.00 . A A . 43 CYS CA 1 1 11 7493 1 1 43 CYS CB C -8.016 -7.174 -4.057 1.00 . A A . 43 CYS CB 1 1 11 7494 1 1 43 CYS H H -10.029 -8.508 -3.177 1.00 . A A . 43 CYS H 1 1 11 7495 1 1 43 CYS HXT H -10.754 -7.521 -7.153 1.00 . A A . 43 CYS HXT 1 1 11 7496 1 1 43 CYS HA H -9.732 -5.872 -3.934 1.00 . A A . 43 CYS HA 1 1 11 7497 1 1 43 CYS HB2 H -7.404 -7.077 -4.940 1.00 . A A . 43 CYS HB2 1 1 11 7498 1 1 43 CYS HB3 H -7.643 -6.511 -3.286 1.00 . A A . 43 CYS HB3 1 1 11 7499 1 1 43 CYS N N -10.371 -7.886 -3.851 1.00 . A A . 43 CYS N 1 1 11 7500 1 1 43 CYS O O -9.486 -5.636 -6.439 1.00 . A A . 43 CYS O 1 1 11 7501 1 1 43 CYS OXT O -9.976 -7.732 -6.511 1.00 . A A . 43 CYS OXT 1 1 11 7502 1 1 43 CYS SG S -7.941 -8.883 -3.463 1.00 . A A . 43 CYS SG 1 1 12 7503 1 1 1 CYS C C 4.063 -8.570 0.208 1.00 . A A . 1 CYS C 1 1 12 7504 1 1 1 CYS CA C 3.714 -9.056 -1.200 1.00 . A A . 1 CYS CA 1 1 12 7505 1 1 1 CYS CB C 2.243 -8.770 -1.496 1.00 . A A . 1 CYS CB 1 1 12 7506 1 1 1 CYS H1 H 4.950 -10.714 -1.090 1.00 . A A . 1 CYS H1 1 1 12 7507 1 1 1 CYS H2 H 3.367 -11.010 -0.604 1.00 . A A . 1 CYS H2 1 1 12 7508 1 1 1 CYS H3 H 3.729 -10.847 -2.239 1.00 . A A . 1 CYS H3 1 1 12 7509 1 1 1 CYS HA H 4.334 -8.540 -1.917 1.00 . A A . 1 CYS HA 1 1 12 7510 1 1 1 CYS HB2 H 1.969 -7.842 -1.033 1.00 . A A . 1 CYS HB2 1 1 12 7511 1 1 1 CYS HB3 H 2.094 -8.698 -2.564 1.00 . A A . 1 CYS HB3 1 1 12 7512 1 1 1 CYS N N 3.959 -10.518 -1.291 1.00 . A A . 1 CYS N 1 1 12 7513 1 1 1 CYS O O 4.050 -9.329 1.155 1.00 . A A . 1 CYS O 1 1 12 7514 1 1 1 CYS SG S 1.210 -10.106 -0.836 1.00 . A A . 1 CYS SG 1 1 12 7515 1 1 2 GLY C C 3.542 -6.756 2.628 1.00 . A A . 2 GLY C 1 1 12 7516 1 1 2 GLY CA C 4.767 -6.795 1.699 1.00 . A A . 2 GLY CA 1 1 12 7517 1 1 2 GLY H H 4.421 -6.709 -0.426 1.00 . A A . 2 GLY H 1 1 12 7518 1 1 2 GLY HA2 H 5.523 -7.436 2.129 1.00 . A A . 2 GLY HA2 1 1 12 7519 1 1 2 GLY HA3 H 5.165 -5.799 1.588 1.00 . A A . 2 GLY HA3 1 1 12 7520 1 1 2 GLY N N 4.397 -7.313 0.352 1.00 . A A . 2 GLY N 1 1 12 7521 1 1 2 GLY O O 3.538 -7.362 3.678 1.00 . A A . 2 GLY O 1 1 12 7522 1 1 3 SER C C 1.455 -4.786 4.141 1.00 . A A . 3 SER C 1 1 12 7523 1 1 3 SER CA C 1.277 -5.890 3.093 1.00 . A A . 3 SER CA 1 1 12 7524 1 1 3 SER CB C 0.960 -7.202 3.818 1.00 . A A . 3 SER CB 1 1 12 7525 1 1 3 SER H H 2.589 -5.531 1.410 1.00 . A A . 3 SER H 1 1 12 7526 1 1 3 SER HA H 0.446 -5.632 2.452 1.00 . A A . 3 SER HA 1 1 12 7527 1 1 3 SER HB2 H 0.857 -7.998 3.106 1.00 . A A . 3 SER HB2 1 1 12 7528 1 1 3 SER HB3 H 1.757 -7.440 4.508 1.00 . A A . 3 SER HB3 1 1 12 7529 1 1 3 SER HG H -0.989 -7.201 3.927 1.00 . A A . 3 SER HG 1 1 12 7530 1 1 3 SER N N 2.523 -6.026 2.249 1.00 . A A . 3 SER N 1 1 12 7531 1 1 3 SER O O 2.347 -3.969 4.052 1.00 . A A . 3 SER O 1 1 12 7532 1 1 3 SER OG O -0.260 -7.057 4.535 1.00 . A A . 3 SER OG 1 1 12 7533 1 1 4 LYS C C 2.082 -3.664 6.744 1.00 . A A . 4 LYS C 1 1 12 7534 1 1 4 LYS CA C 0.672 -3.699 6.180 1.00 . A A . 4 LYS CA 1 1 12 7535 1 1 4 LYS CB C -0.306 -4.049 7.307 1.00 . A A . 4 LYS CB 1 1 12 7536 1 1 4 LYS CD C -1.770 -3.185 9.130 1.00 . A A . 4 LYS CD 1 1 12 7537 1 1 4 LYS CE C -2.169 -1.975 9.980 1.00 . A A . 4 LYS CE 1 1 12 7538 1 1 4 LYS CG C -0.683 -2.800 8.117 1.00 . A A . 4 LYS CG 1 1 12 7539 1 1 4 LYS H H -0.129 -5.419 5.157 1.00 . A A . 4 LYS H 1 1 12 7540 1 1 4 LYS HA H 0.419 -2.737 5.757 1.00 . A A . 4 LYS HA 1 1 12 7541 1 1 4 LYS HB2 H -1.191 -4.477 6.880 1.00 . A A . 4 LYS HB2 1 1 12 7542 1 1 4 LYS HB3 H 0.155 -4.773 7.965 1.00 . A A . 4 LYS HB3 1 1 12 7543 1 1 4 LYS HD2 H -2.638 -3.547 8.598 1.00 . A A . 4 LYS HD2 1 1 12 7544 1 1 4 LYS HD3 H -1.398 -3.966 9.775 1.00 . A A . 4 LYS HD3 1 1 12 7545 1 1 4 LYS HE2 H -1.280 -1.466 10.325 1.00 . A A . 4 LYS HE2 1 1 12 7546 1 1 4 LYS HE3 H -2.767 -1.294 9.389 1.00 . A A . 4 LYS HE3 1 1 12 7547 1 1 4 LYS HG2 H 0.188 -2.432 8.638 1.00 . A A . 4 LYS HG2 1 1 12 7548 1 1 4 LYS HG3 H -1.059 -2.036 7.454 1.00 . A A . 4 LYS HG3 1 1 12 7549 1 1 4 LYS HZ1 H -2.874 -3.478 11.240 1.00 . A A . 4 LYS HZ1 1 1 12 7550 1 1 4 LYS HZ2 H -3.963 -2.198 11.018 1.00 . A A . 4 LYS HZ2 1 1 12 7551 1 1 4 LYS HZ3 H -2.607 -1.991 12.020 1.00 . A A . 4 LYS HZ3 1 1 12 7552 1 1 4 LYS N N 0.588 -4.753 5.124 1.00 . A A . 4 LYS N 1 1 12 7553 1 1 4 LYS NZ N -2.963 -2.446 11.153 1.00 . A A . 4 LYS NZ 1 1 12 7554 1 1 4 LYS O O 2.648 -4.685 7.084 1.00 . A A . 4 LYS O 1 1 12 7555 1 1 5 ARG C C 4.913 -3.409 6.600 1.00 . A A . 5 ARG C 1 1 12 7556 1 1 5 ARG CA C 4.037 -2.447 7.412 1.00 . A A . 5 ARG CA 1 1 12 7557 1 1 5 ARG CB C 3.967 -2.906 8.878 1.00 . A A . 5 ARG CB 1 1 12 7558 1 1 5 ARG CD C 4.973 -2.803 11.136 1.00 . A A . 5 ARG CD 1 1 12 7559 1 1 5 ARG CG C 5.062 -2.249 9.714 1.00 . A A . 5 ARG CG 1 1 12 7560 1 1 5 ARG CZ C 3.033 -3.580 12.377 1.00 . A A . 5 ARG CZ 1 1 12 7561 1 1 5 ARG H H 2.198 -1.687 6.584 1.00 . A A . 5 ARG H 1 1 12 7562 1 1 5 ARG HA H 4.423 -1.442 7.351 1.00 . A A . 5 ARG HA 1 1 12 7563 1 1 5 ARG HB2 H 3.006 -2.633 9.287 1.00 . A A . 5 ARG HB2 1 1 12 7564 1 1 5 ARG HB3 H 4.079 -3.979 8.929 1.00 . A A . 5 ARG HB3 1 1 12 7565 1 1 5 ARG HD2 H 5.252 -3.847 11.133 1.00 . A A . 5 ARG HD2 1 1 12 7566 1 1 5 ARG HD3 H 5.639 -2.253 11.785 1.00 . A A . 5 ARG HD3 1 1 12 7567 1 1 5 ARG HE H 3.040 -1.875 11.357 1.00 . A A . 5 ARG HE 1 1 12 7568 1 1 5 ARG HG2 H 6.030 -2.479 9.291 1.00 . A A . 5 ARG HG2 1 1 12 7569 1 1 5 ARG HG3 H 4.917 -1.180 9.734 1.00 . A A . 5 ARG HG3 1 1 12 7570 1 1 5 ARG HH11 H 4.690 -4.700 12.474 1.00 . A A . 5 ARG HH11 1 1 12 7571 1 1 5 ARG HH12 H 3.320 -5.319 13.332 1.00 . A A . 5 ARG HH12 1 1 12 7572 1 1 5 ARG HH21 H 1.248 -2.675 12.459 1.00 . A A . 5 ARG HH21 1 1 12 7573 1 1 5 ARG HH22 H 1.371 -4.170 13.326 1.00 . A A . 5 ARG HH22 1 1 12 7574 1 1 5 ARG N N 2.663 -2.506 6.858 1.00 . A A . 5 ARG N 1 1 12 7575 1 1 5 ARG NE N 3.570 -2.656 11.624 1.00 . A A . 5 ARG NE 1 1 12 7576 1 1 5 ARG NH1 N 3.736 -4.613 12.758 1.00 . A A . 5 ARG NH1 1 1 12 7577 1 1 5 ARG NH2 N 1.788 -3.465 12.751 1.00 . A A . 5 ARG NH2 1 1 12 7578 1 1 5 ARG O O 5.181 -4.515 7.024 1.00 . A A . 5 ARG O 1 1 12 7579 1 1 6 ALA C C 6.593 -3.280 3.297 1.00 . A A . 6 ALA C 1 1 12 7580 1 1 6 ALA CA C 6.161 -3.947 4.601 1.00 . A A . 6 ALA CA 1 1 12 7581 1 1 6 ALA CB C 5.309 -5.167 4.246 1.00 . A A . 6 ALA CB 1 1 12 7582 1 1 6 ALA H H 5.095 -2.130 5.082 1.00 . A A . 6 ALA H 1 1 12 7583 1 1 6 ALA HA H 7.027 -4.262 5.159 1.00 . A A . 6 ALA HA 1 1 12 7584 1 1 6 ALA HB1 H 4.544 -4.871 3.536 1.00 . A A . 6 ALA HB1 1 1 12 7585 1 1 6 ALA HB2 H 4.842 -5.559 5.134 1.00 . A A . 6 ALA HB2 1 1 12 7586 1 1 6 ALA HB3 H 5.934 -5.925 3.804 1.00 . A A . 6 ALA HB3 1 1 12 7587 1 1 6 ALA N N 5.340 -3.015 5.425 1.00 . A A . 6 ALA N 1 1 12 7588 1 1 6 ALA O O 5.788 -2.738 2.565 1.00 . A A . 6 ALA O 1 1 12 7589 1 1 7 TRP C C 7.565 -3.245 0.538 1.00 . A A . 7 TRP C 1 1 12 7590 1 1 7 TRP CA C 8.366 -2.721 1.740 1.00 . A A . 7 TRP CA 1 1 12 7591 1 1 7 TRP CB C 9.850 -3.065 1.569 1.00 . A A . 7 TRP CB 1 1 12 7592 1 1 7 TRP CD1 C 10.472 -1.553 -0.362 1.00 . A A . 7 TRP CD1 1 1 12 7593 1 1 7 TRP CD2 C 10.531 -3.734 -0.907 1.00 . A A . 7 TRP CD2 1 1 12 7594 1 1 7 TRP CE2 C 10.891 -3.016 -2.071 1.00 . A A . 7 TRP CE2 1 1 12 7595 1 1 7 TRP CE3 C 10.490 -5.138 -0.977 1.00 . A A . 7 TRP CE3 1 1 12 7596 1 1 7 TRP CG C 10.270 -2.784 0.162 1.00 . A A . 7 TRP CG 1 1 12 7597 1 1 7 TRP CH2 C 11.155 -5.066 -3.318 1.00 . A A . 7 TRP CH2 1 1 12 7598 1 1 7 TRP CZ2 C 11.200 -3.670 -3.267 1.00 . A A . 7 TRP CZ2 1 1 12 7599 1 1 7 TRP CZ3 C 10.800 -5.798 -2.175 1.00 . A A . 7 TRP CZ3 1 1 12 7600 1 1 7 TRP H H 8.491 -3.781 3.599 1.00 . A A . 7 TRP H 1 1 12 7601 1 1 7 TRP HA H 8.257 -1.651 1.799 1.00 . A A . 7 TRP HA 1 1 12 7602 1 1 7 TRP HB2 H 10.436 -2.462 2.247 1.00 . A A . 7 TRP HB2 1 1 12 7603 1 1 7 TRP HB3 H 10.060 -4.110 1.791 1.00 . A A . 7 TRP HB3 1 1 12 7604 1 1 7 TRP HD1 H 10.366 -0.620 0.170 1.00 . A A . 7 TRP HD1 1 1 12 7605 1 1 7 TRP HE1 H 11.043 -0.948 -2.296 1.00 . A A . 7 TRP HE1 1 1 12 7606 1 1 7 TRP HE3 H 10.219 -5.710 -0.102 1.00 . A A . 7 TRP HE3 1 1 12 7607 1 1 7 TRP HH2 H 11.392 -5.583 -4.236 1.00 . A A . 7 TRP HH2 1 1 12 7608 1 1 7 TRP HZ2 H 11.469 -3.103 -4.145 1.00 . A A . 7 TRP HZ2 1 1 12 7609 1 1 7 TRP HZ3 H 10.767 -6.877 -2.217 1.00 . A A . 7 TRP HZ3 1 1 12 7610 1 1 7 TRP N N 7.864 -3.331 2.996 1.00 . A A . 7 TRP N 1 1 12 7611 1 1 7 TRP NE1 N 10.841 -1.688 -1.688 1.00 . A A . 7 TRP NE1 1 1 12 7612 1 1 7 TRP O O 7.585 -4.417 0.224 1.00 . A A . 7 TRP O 1 1 12 7613 1 1 8 CYS C C 6.807 -2.208 -2.586 1.00 . A A . 8 CYS C 1 1 12 7614 1 1 8 CYS CA C 6.092 -2.774 -1.352 1.00 . A A . 8 CYS CA 1 1 12 7615 1 1 8 CYS CB C 4.684 -2.169 -1.264 1.00 . A A . 8 CYS CB 1 1 12 7616 1 1 8 CYS H H 6.903 -1.425 0.128 1.00 . A A . 8 CYS H 1 1 12 7617 1 1 8 CYS HA H 6.020 -3.863 -1.422 1.00 . A A . 8 CYS HA 1 1 12 7618 1 1 8 CYS HB2 H 3.980 -2.927 -0.950 1.00 . A A . 8 CYS HB2 1 1 12 7619 1 1 8 CYS HB3 H 4.686 -1.361 -0.547 1.00 . A A . 8 CYS HB3 1 1 12 7620 1 1 8 CYS N N 6.883 -2.369 -0.146 1.00 . A A . 8 CYS N 1 1 12 7621 1 1 8 CYS O O 7.448 -1.180 -2.519 1.00 . A A . 8 CYS O 1 1 12 7622 1 1 8 CYS SG S 4.190 -1.527 -2.884 1.00 . A A . 8 CYS SG 1 1 12 7623 1 1 9 LYS C C 6.389 -1.414 -5.706 1.00 . A A . 9 LYS C 1 1 12 7624 1 1 9 LYS CA C 7.371 -2.308 -4.938 1.00 . A A . 9 LYS CA 1 1 12 7625 1 1 9 LYS CB C 7.818 -3.469 -5.827 1.00 . A A . 9 LYS CB 1 1 12 7626 1 1 9 LYS CD C 8.978 -4.114 -7.941 1.00 . A A . 9 LYS CD 1 1 12 7627 1 1 9 LYS CE C 10.247 -4.746 -7.350 1.00 . A A . 9 LYS CE 1 1 12 7628 1 1 9 LYS CG C 8.524 -2.933 -7.075 1.00 . A A . 9 LYS CG 1 1 12 7629 1 1 9 LYS H H 6.174 -3.673 -3.768 1.00 . A A . 9 LYS H 1 1 12 7630 1 1 9 LYS HA H 8.233 -1.727 -4.647 1.00 . A A . 9 LYS HA 1 1 12 7631 1 1 9 LYS HB2 H 8.497 -4.101 -5.274 1.00 . A A . 9 LYS HB2 1 1 12 7632 1 1 9 LYS HB3 H 6.961 -4.046 -6.126 1.00 . A A . 9 LYS HB3 1 1 12 7633 1 1 9 LYS HD2 H 8.191 -4.856 -7.975 1.00 . A A . 9 LYS HD2 1 1 12 7634 1 1 9 LYS HD3 H 9.183 -3.765 -8.943 1.00 . A A . 9 LYS HD3 1 1 12 7635 1 1 9 LYS HE2 H 11.084 -4.556 -8.008 1.00 . A A . 9 LYS HE2 1 1 12 7636 1 1 9 LYS HE3 H 10.454 -4.324 -6.379 1.00 . A A . 9 LYS HE3 1 1 12 7637 1 1 9 LYS HG2 H 7.836 -2.317 -7.638 1.00 . A A . 9 LYS HG2 1 1 12 7638 1 1 9 LYS HG3 H 9.382 -2.344 -6.788 1.00 . A A . 9 LYS HG3 1 1 12 7639 1 1 9 LYS HZ1 H 9.318 -6.533 -7.888 1.00 . A A . 9 LYS HZ1 1 1 12 7640 1 1 9 LYS HZ2 H 9.740 -6.439 -6.249 1.00 . A A . 9 LYS HZ2 1 1 12 7641 1 1 9 LYS HZ3 H 10.942 -6.708 -7.420 1.00 . A A . 9 LYS HZ3 1 1 12 7642 1 1 9 LYS N N 6.700 -2.848 -3.715 1.00 . A A . 9 LYS N 1 1 12 7643 1 1 9 LYS NZ N 10.047 -6.217 -7.216 1.00 . A A . 9 LYS NZ 1 1 12 7644 1 1 9 LYS O O 6.768 -0.423 -6.303 1.00 . A A . 9 LYS O 1 1 12 7645 1 1 10 GLU C C 2.733 -1.236 -5.856 1.00 . A A . 10 GLU C 1 1 12 7646 1 1 10 GLU CA C 4.118 -0.942 -6.430 1.00 . A A . 10 GLU CA 1 1 12 7647 1 1 10 GLU CB C 4.146 -1.309 -7.919 1.00 . A A . 10 GLU CB 1 1 12 7648 1 1 10 GLU CD C 3.987 -3.320 -9.401 1.00 . A A . 10 GLU CD 1 1 12 7649 1 1 10 GLU CG C 4.512 -2.787 -8.066 1.00 . A A . 10 GLU CG 1 1 12 7650 1 1 10 GLU H H 4.846 -2.560 -5.217 1.00 . A A . 10 GLU H 1 1 12 7651 1 1 10 GLU HA H 4.339 0.106 -6.311 1.00 . A A . 10 GLU HA 1 1 12 7652 1 1 10 GLU HB2 H 3.173 -1.129 -8.354 1.00 . A A . 10 GLU HB2 1 1 12 7653 1 1 10 GLU HB3 H 4.884 -0.706 -8.421 1.00 . A A . 10 GLU HB3 1 1 12 7654 1 1 10 GLU HG2 H 5.585 -2.899 -8.034 1.00 . A A . 10 GLU HG2 1 1 12 7655 1 1 10 GLU HG3 H 4.064 -3.342 -7.258 1.00 . A A . 10 GLU HG3 1 1 12 7656 1 1 10 GLU N N 5.130 -1.758 -5.700 1.00 . A A . 10 GLU N 1 1 12 7657 1 1 10 GLU O O 2.593 -1.884 -4.840 1.00 . A A . 10 GLU O 1 1 12 7658 1 1 10 GLU OE1 O 4.060 -2.592 -10.377 1.00 . A A . 10 GLU OE1 1 1 12 7659 1 1 10 GLU OE2 O 3.507 -4.442 -9.417 1.00 . A A . 10 GLU OE2 1 1 12 7660 1 1 11 LYS C C 0.077 -2.531 -5.941 1.00 . A A . 11 LYS C 1 1 12 7661 1 1 11 LYS CA C 0.332 -1.023 -5.977 1.00 . A A . 11 LYS CA 1 1 12 7662 1 1 11 LYS CB C -0.686 -0.370 -6.920 1.00 . A A . 11 LYS CB 1 1 12 7663 1 1 11 LYS CD C -2.450 0.759 -5.545 1.00 . A A . 11 LYS CD 1 1 12 7664 1 1 11 LYS CE C -3.703 0.514 -4.698 1.00 . A A . 11 LYS CE 1 1 12 7665 1 1 11 LYS CG C -2.107 -0.500 -6.346 1.00 . A A . 11 LYS CG 1 1 12 7666 1 1 11 LYS H H 1.830 -0.239 -7.312 1.00 . A A . 11 LYS H 1 1 12 7667 1 1 11 LYS HA H 0.225 -0.609 -4.987 1.00 . A A . 11 LYS HA 1 1 12 7668 1 1 11 LYS HB2 H -0.439 0.674 -7.047 1.00 . A A . 11 LYS HB2 1 1 12 7669 1 1 11 LYS HB3 H -0.647 -0.863 -7.883 1.00 . A A . 11 LYS HB3 1 1 12 7670 1 1 11 LYS HD2 H -1.620 1.006 -4.898 1.00 . A A . 11 LYS HD2 1 1 12 7671 1 1 11 LYS HD3 H -2.631 1.578 -6.225 1.00 . A A . 11 LYS HD3 1 1 12 7672 1 1 11 LYS HE2 H -3.417 0.087 -3.748 1.00 . A A . 11 LYS HE2 1 1 12 7673 1 1 11 LYS HE3 H -4.211 1.455 -4.529 1.00 . A A . 11 LYS HE3 1 1 12 7674 1 1 11 LYS HG2 H -2.814 -0.611 -7.157 1.00 . A A . 11 LYS HG2 1 1 12 7675 1 1 11 LYS HG3 H -2.167 -1.363 -5.699 1.00 . A A . 11 LYS HG3 1 1 12 7676 1 1 11 LYS HZ1 H -5.552 -0.416 -4.945 1.00 . A A . 11 LYS HZ1 1 1 12 7677 1 1 11 LYS HZ2 H -4.228 -1.385 -5.373 1.00 . A A . 11 LYS HZ2 1 1 12 7678 1 1 11 LYS HZ3 H -4.724 -0.126 -6.400 1.00 . A A . 11 LYS HZ3 1 1 12 7679 1 1 11 LYS N N 1.703 -0.765 -6.495 1.00 . A A . 11 LYS N 1 1 12 7680 1 1 11 LYS NZ N -4.621 -0.423 -5.408 1.00 . A A . 11 LYS NZ 1 1 12 7681 1 1 11 LYS O O -0.402 -3.073 -4.964 1.00 . A A . 11 LYS O 1 1 12 7682 1 1 12 LYS C C 1.107 -5.448 -6.168 1.00 . A A . 12 LYS C 1 1 12 7683 1 1 12 LYS CA C 0.136 -4.673 -7.083 1.00 . A A . 12 LYS CA 1 1 12 7684 1 1 12 LYS CB C 0.304 -5.128 -8.536 1.00 . A A . 12 LYS CB 1 1 12 7685 1 1 12 LYS CD C -0.516 -6.716 -10.273 1.00 . A A . 12 LYS CD 1 1 12 7686 1 1 12 LYS CE C -1.458 -7.892 -10.535 1.00 . A A . 12 LYS CE 1 1 12 7687 1 1 12 LYS CG C -0.534 -6.381 -8.782 1.00 . A A . 12 LYS CG 1 1 12 7688 1 1 12 LYS H H 0.741 -2.738 -7.797 1.00 . A A . 12 LYS H 1 1 12 7689 1 1 12 LYS HA H -0.874 -4.873 -6.767 1.00 . A A . 12 LYS HA 1 1 12 7690 1 1 12 LYS HB2 H -0.020 -4.339 -9.198 1.00 . A A . 12 LYS HB2 1 1 12 7691 1 1 12 LYS HB3 H 1.345 -5.351 -8.724 1.00 . A A . 12 LYS HB3 1 1 12 7692 1 1 12 LYS HD2 H -0.844 -5.857 -10.841 1.00 . A A . 12 LYS HD2 1 1 12 7693 1 1 12 LYS HD3 H 0.486 -6.987 -10.570 1.00 . A A . 12 LYS HD3 1 1 12 7694 1 1 12 LYS HE2 H -2.405 -7.705 -10.048 1.00 . A A . 12 LYS HE2 1 1 12 7695 1 1 12 LYS HE3 H -1.613 -8.001 -11.597 1.00 . A A . 12 LYS HE3 1 1 12 7696 1 1 12 LYS HG2 H -0.126 -7.207 -8.219 1.00 . A A . 12 LYS HG2 1 1 12 7697 1 1 12 LYS HG3 H -1.553 -6.202 -8.470 1.00 . A A . 12 LYS HG3 1 1 12 7698 1 1 12 LYS HZ1 H -1.281 -9.352 -9.060 1.00 . A A . 12 LYS HZ1 1 1 12 7699 1 1 12 LYS HZ2 H 0.167 -9.011 -9.872 1.00 . A A . 12 LYS HZ2 1 1 12 7700 1 1 12 LYS HZ3 H -1.039 -9.929 -10.640 1.00 . A A . 12 LYS HZ3 1 1 12 7701 1 1 12 LYS N N 0.373 -3.204 -7.018 1.00 . A A . 12 LYS N 1 1 12 7702 1 1 12 LYS NZ N -0.857 -9.140 -9.984 1.00 . A A . 12 LYS NZ 1 1 12 7703 1 1 12 LYS O O 0.717 -6.395 -5.511 1.00 . A A . 12 LYS O 1 1 12 7704 1 1 13 ASP C C 2.849 -5.900 -3.839 1.00 . A A . 13 ASP C 1 1 12 7705 1 1 13 ASP CA C 3.345 -5.835 -5.276 1.00 . A A . 13 ASP CA 1 1 12 7706 1 1 13 ASP CB C 4.713 -5.151 -5.278 1.00 . A A . 13 ASP CB 1 1 12 7707 1 1 13 ASP CG C 5.747 -6.085 -4.642 1.00 . A A . 13 ASP CG 1 1 12 7708 1 1 13 ASP H H 2.674 -4.329 -6.683 1.00 . A A . 13 ASP H 1 1 12 7709 1 1 13 ASP HA H 3.452 -6.841 -5.662 1.00 . A A . 13 ASP HA 1 1 12 7710 1 1 13 ASP HB2 H 5.006 -4.931 -6.287 1.00 . A A . 13 ASP HB2 1 1 12 7711 1 1 13 ASP HB3 H 4.661 -4.239 -4.705 1.00 . A A . 13 ASP HB3 1 1 12 7712 1 1 13 ASP N N 2.368 -5.080 -6.135 1.00 . A A . 13 ASP N 1 1 12 7713 1 1 13 ASP O O 3.337 -6.680 -3.046 1.00 . A A . 13 ASP O 1 1 12 7714 1 1 13 ASP OD1 O 5.873 -6.060 -3.428 1.00 . A A . 13 ASP OD1 1 1 12 7715 1 1 13 ASP OD2 O 6.391 -6.815 -5.379 1.00 . A A . 13 ASP OD2 1 1 12 7716 1 1 14 CYS C C 0.265 -6.176 -2.001 1.00 . A A . 14 CYS C 1 1 12 7717 1 1 14 CYS CA C 1.381 -5.146 -2.087 1.00 . A A . 14 CYS CA 1 1 12 7718 1 1 14 CYS CB C 0.856 -3.776 -1.658 1.00 . A A . 14 CYS CB 1 1 12 7719 1 1 14 CYS H H 1.498 -4.475 -4.135 1.00 . A A . 14 CYS H 1 1 12 7720 1 1 14 CYS HA H 2.187 -5.441 -1.429 1.00 . A A . 14 CYS HA 1 1 12 7721 1 1 14 CYS HB2 H 1.640 -3.051 -1.733 1.00 . A A . 14 CYS HB2 1 1 12 7722 1 1 14 CYS HB3 H 0.027 -3.483 -2.283 1.00 . A A . 14 CYS HB3 1 1 12 7723 1 1 14 CYS N N 1.885 -5.099 -3.486 1.00 . A A . 14 CYS N 1 1 12 7724 1 1 14 CYS O O -0.485 -6.379 -2.934 1.00 . A A . 14 CYS O 1 1 12 7725 1 1 14 CYS SG S 0.325 -3.851 0.057 1.00 . A A . 14 CYS SG 1 1 12 7726 1 1 15 CYS C C -2.242 -7.253 -1.055 1.00 . A A . 15 CYS C 1 1 12 7727 1 1 15 CYS CA C -0.877 -7.870 -0.744 1.00 . A A . 15 CYS CA 1 1 12 7728 1 1 15 CYS CB C -0.841 -8.391 0.691 1.00 . A A . 15 CYS CB 1 1 12 7729 1 1 15 CYS H H 0.780 -6.675 -0.148 1.00 . A A . 15 CYS H 1 1 12 7730 1 1 15 CYS HA H -0.688 -8.679 -1.428 1.00 . A A . 15 CYS HA 1 1 12 7731 1 1 15 CYS HB2 H -0.810 -7.554 1.370 1.00 . A A . 15 CYS HB2 1 1 12 7732 1 1 15 CYS HB3 H -1.721 -8.957 0.876 1.00 . A A . 15 CYS HB3 1 1 12 7733 1 1 15 CYS N N 0.162 -6.843 -0.890 1.00 . A A . 15 CYS N 1 1 12 7734 1 1 15 CYS O O -2.567 -6.163 -0.607 1.00 . A A . 15 CYS O 1 1 12 7735 1 1 15 CYS SG S 0.628 -9.431 0.978 1.00 . A A . 15 CYS SG 1 1 12 7736 1 1 16 CYS C C -5.114 -7.086 -0.858 1.00 . A A . 16 CYS C 1 1 12 7737 1 1 16 CYS CA C -4.377 -7.379 -2.158 1.00 . A A . 16 CYS CA 1 1 12 7738 1 1 16 CYS CB C -5.172 -8.391 -3.003 1.00 . A A . 16 CYS CB 1 1 12 7739 1 1 16 CYS H H -2.774 -8.805 -2.180 1.00 . A A . 16 CYS H 1 1 12 7740 1 1 16 CYS HA H -4.248 -6.460 -2.705 1.00 . A A . 16 CYS HA 1 1 12 7741 1 1 16 CYS HB2 H -4.585 -9.287 -3.125 1.00 . A A . 16 CYS HB2 1 1 12 7742 1 1 16 CYS HB3 H -6.094 -8.637 -2.500 1.00 . A A . 16 CYS HB3 1 1 12 7743 1 1 16 CYS N N -3.045 -7.935 -1.825 1.00 . A A . 16 CYS N 1 1 12 7744 1 1 16 CYS O O -5.281 -7.945 -0.017 1.00 . A A . 16 CYS O 1 1 12 7745 1 1 16 CYS SG S -5.543 -7.697 -4.642 1.00 . A A . 16 CYS SG 1 1 12 7746 1 1 17 GLY C C -5.477 -4.355 1.238 1.00 . A A . 17 GLY C 1 1 12 7747 1 1 17 GLY CA C -6.250 -5.488 0.557 1.00 . A A . 17 GLY CA 1 1 12 7748 1 1 17 GLY H H -5.378 -5.197 -1.384 1.00 . A A . 17 GLY H 1 1 12 7749 1 1 17 GLY HA2 H -7.246 -5.165 0.315 1.00 . A A . 17 GLY HA2 1 1 12 7750 1 1 17 GLY HA3 H -6.300 -6.334 1.227 1.00 . A A . 17 GLY HA3 1 1 12 7751 1 1 17 GLY N N -5.538 -5.869 -0.688 1.00 . A A . 17 GLY N 1 1 12 7752 1 1 17 GLY O O -5.916 -3.797 2.226 1.00 . A A . 17 GLY O 1 1 12 7753 1 1 18 TYR C C -3.116 -1.879 0.342 1.00 . A A . 18 TYR C 1 1 12 7754 1 1 18 TYR CA C -3.486 -2.957 1.366 1.00 . A A . 18 TYR CA 1 1 12 7755 1 1 18 TYR CB C -2.214 -3.613 1.892 1.00 . A A . 18 TYR CB 1 1 12 7756 1 1 18 TYR CD1 C -2.734 -4.099 4.312 1.00 . A A . 18 TYR CD1 1 1 12 7757 1 1 18 TYR CD2 C -2.797 -5.911 2.706 1.00 . A A . 18 TYR CD2 1 1 12 7758 1 1 18 TYR CE1 C -3.102 -4.991 5.327 1.00 . A A . 18 TYR CE1 1 1 12 7759 1 1 18 TYR CE2 C -3.161 -6.805 3.719 1.00 . A A . 18 TYR CE2 1 1 12 7760 1 1 18 TYR CG C -2.581 -4.563 3.001 1.00 . A A . 18 TYR CG 1 1 12 7761 1 1 18 TYR CZ C -3.315 -6.345 5.031 1.00 . A A . 18 TYR CZ 1 1 12 7762 1 1 18 TYR H H -3.964 -4.519 -0.105 1.00 . A A . 18 TYR H 1 1 12 7763 1 1 18 TYR HA H -4.026 -2.508 2.187 1.00 . A A . 18 TYR HA 1 1 12 7764 1 1 18 TYR HB2 H -1.760 -4.170 1.094 1.00 . A A . 18 TYR HB2 1 1 12 7765 1 1 18 TYR HB3 H -1.524 -2.868 2.251 1.00 . A A . 18 TYR HB3 1 1 12 7766 1 1 18 TYR HD1 H -2.565 -3.057 4.542 1.00 . A A . 18 TYR HD1 1 1 12 7767 1 1 18 TYR HD2 H -2.676 -6.263 1.693 1.00 . A A . 18 TYR HD2 1 1 12 7768 1 1 18 TYR HE1 H -3.225 -4.636 6.340 1.00 . A A . 18 TYR HE1 1 1 12 7769 1 1 18 TYR HE2 H -3.324 -7.846 3.490 1.00 . A A . 18 TYR HE2 1 1 12 7770 1 1 18 TYR HH H -3.386 -8.099 5.781 1.00 . A A . 18 TYR HH 1 1 12 7771 1 1 18 TYR N N -4.312 -4.031 0.732 1.00 . A A . 18 TYR N 1 1 12 7772 1 1 18 TYR O O -2.981 -2.149 -0.835 1.00 . A A . 18 TYR O 1 1 12 7773 1 1 18 TYR OH O -3.677 -7.221 6.034 1.00 . A A . 18 TYR OH 1 1 12 7774 1 1 19 ASN C C -1.035 0.585 -0.111 1.00 . A A . 19 ASN C 1 1 12 7775 1 1 19 ASN CA C -2.544 0.425 -0.164 1.00 . A A . 19 ASN CA 1 1 12 7776 1 1 19 ASN CB C -3.200 1.745 0.242 1.00 . A A . 19 ASN CB 1 1 12 7777 1 1 19 ASN CG C -2.523 2.306 1.496 1.00 . A A . 19 ASN CG 1 1 12 7778 1 1 19 ASN H H -3.032 -0.458 1.747 1.00 . A A . 19 ASN H 1 1 12 7779 1 1 19 ASN HA H -2.843 0.162 -1.168 1.00 . A A . 19 ASN HA 1 1 12 7780 1 1 19 ASN HB2 H -3.109 2.455 -0.565 1.00 . A A . 19 ASN HB2 1 1 12 7781 1 1 19 ASN HB3 H -4.238 1.574 0.450 1.00 . A A . 19 ASN HB3 1 1 12 7782 1 1 19 ASN HD21 H -1.794 3.907 0.573 1.00 . A A . 19 ASN HD21 1 1 12 7783 1 1 19 ASN HD22 H -1.429 3.792 2.228 1.00 . A A . 19 ASN HD22 1 1 12 7784 1 1 19 ASN N N -2.932 -0.659 0.787 1.00 . A A . 19 ASN N 1 1 12 7785 1 1 19 ASN ND2 N -1.860 3.428 1.426 1.00 . A A . 19 ASN ND2 1 1 12 7786 1 1 19 ASN O O -0.455 0.645 0.952 1.00 . A A . 19 ASN O 1 1 12 7787 1 1 19 ASN OD1 O -2.591 1.714 2.551 1.00 . A A . 19 ASN OD1 1 1 12 7788 1 1 20 CYS C C 1.455 2.283 -1.321 1.00 . A A . 20 CYS C 1 1 12 7789 1 1 20 CYS CA C 1.088 0.806 -1.241 1.00 . A A . 20 CYS CA 1 1 12 7790 1 1 20 CYS CB C 1.672 0.088 -2.453 1.00 . A A . 20 CYS CB 1 1 12 7791 1 1 20 CYS H H -0.876 0.602 -2.089 1.00 . A A . 20 CYS H 1 1 12 7792 1 1 20 CYS HA H 1.498 0.380 -0.337 1.00 . A A . 20 CYS HA 1 1 12 7793 1 1 20 CYS HB2 H 1.437 -0.963 -2.397 1.00 . A A . 20 CYS HB2 1 1 12 7794 1 1 20 CYS HB3 H 1.247 0.504 -3.352 1.00 . A A . 20 CYS HB3 1 1 12 7795 1 1 20 CYS N N -0.389 0.655 -1.241 1.00 . A A . 20 CYS N 1 1 12 7796 1 1 20 CYS O O 1.043 2.987 -2.221 1.00 . A A . 20 CYS O 1 1 12 7797 1 1 20 CYS SG S 3.466 0.313 -2.480 1.00 . A A . 20 CYS SG 1 1 12 7798 1 1 21 VAL C C 4.203 4.194 -0.555 1.00 . A A . 21 VAL C 1 1 12 7799 1 1 21 VAL CA C 2.685 4.172 -0.432 1.00 . A A . 21 VAL CA 1 1 12 7800 1 1 21 VAL CB C 2.228 4.900 0.848 1.00 . A A . 21 VAL CB 1 1 12 7801 1 1 21 VAL CG1 C 3.170 4.597 2.022 1.00 . A A . 21 VAL CG1 1 1 12 7802 1 1 21 VAL CG2 C 2.199 6.412 0.592 1.00 . A A . 21 VAL CG2 1 1 12 7803 1 1 21 VAL H H 2.591 2.154 0.302 1.00 . A A . 21 VAL H 1 1 12 7804 1 1 21 VAL HA H 2.256 4.661 -1.296 1.00 . A A . 21 VAL HA 1 1 12 7805 1 1 21 VAL HB H 1.234 4.566 1.105 1.00 . A A . 21 VAL HB 1 1 12 7806 1 1 21 VAL HG11 H 3.304 3.528 2.108 1.00 . A A . 21 VAL HG11 1 1 12 7807 1 1 21 VAL HG12 H 2.735 4.980 2.937 1.00 . A A . 21 VAL HG12 1 1 12 7808 1 1 21 VAL HG13 H 4.127 5.073 1.855 1.00 . A A . 21 VAL HG13 1 1 12 7809 1 1 21 VAL HG21 H 1.242 6.684 0.166 1.00 . A A . 21 VAL HG21 1 1 12 7810 1 1 21 VAL HG22 H 2.988 6.680 -0.095 1.00 . A A . 21 VAL HG22 1 1 12 7811 1 1 21 VAL HG23 H 2.338 6.941 1.524 1.00 . A A . 21 VAL HG23 1 1 12 7812 1 1 21 VAL N N 2.255 2.749 -0.400 1.00 . A A . 21 VAL N 1 1 12 7813 1 1 21 VAL O O 4.918 3.768 0.333 1.00 . A A . 21 VAL O 1 1 12 7814 1 1 22 TYR C C 6.674 5.976 -1.122 1.00 . A A . 22 TYR C 1 1 12 7815 1 1 22 TYR CA C 6.165 4.733 -1.854 1.00 . A A . 22 TYR CA 1 1 12 7816 1 1 22 TYR CB C 6.444 4.840 -3.360 1.00 . A A . 22 TYR CB 1 1 12 7817 1 1 22 TYR CD1 C 8.941 5.158 -3.363 1.00 . A A . 22 TYR CD1 1 1 12 7818 1 1 22 TYR CD2 C 8.022 3.108 -4.276 1.00 . A A . 22 TYR CD2 1 1 12 7819 1 1 22 TYR CE1 C 10.232 4.708 -3.656 1.00 . A A . 22 TYR CE1 1 1 12 7820 1 1 22 TYR CE2 C 9.313 2.656 -4.567 1.00 . A A . 22 TYR CE2 1 1 12 7821 1 1 22 TYR CG C 7.836 4.359 -3.671 1.00 . A A . 22 TYR CG 1 1 12 7822 1 1 22 TYR CZ C 10.418 3.457 -4.258 1.00 . A A . 22 TYR CZ 1 1 12 7823 1 1 22 TYR H H 4.067 5.026 -2.393 1.00 . A A . 22 TYR H 1 1 12 7824 1 1 22 TYR HA H 6.630 3.846 -1.449 1.00 . A A . 22 TYR HA 1 1 12 7825 1 1 22 TYR HB2 H 5.729 4.233 -3.898 1.00 . A A . 22 TYR HB2 1 1 12 7826 1 1 22 TYR HB3 H 6.343 5.868 -3.672 1.00 . A A . 22 TYR HB3 1 1 12 7827 1 1 22 TYR HD1 H 8.797 6.120 -2.900 1.00 . A A . 22 TYR HD1 1 1 12 7828 1 1 22 TYR HD2 H 7.168 2.491 -4.516 1.00 . A A . 22 TYR HD2 1 1 12 7829 1 1 22 TYR HE1 H 11.086 5.323 -3.419 1.00 . A A . 22 TYR HE1 1 1 12 7830 1 1 22 TYR HE2 H 9.455 1.690 -5.036 1.00 . A A . 22 TYR HE2 1 1 12 7831 1 1 22 TYR HH H 12.132 2.850 -3.701 1.00 . A A . 22 TYR HH 1 1 12 7832 1 1 22 TYR N N 4.698 4.679 -1.657 1.00 . A A . 22 TYR N 1 1 12 7833 1 1 22 TYR O O 6.357 7.087 -1.496 1.00 . A A . 22 TYR O 1 1 12 7834 1 1 22 TYR OH O 11.689 3.010 -4.537 1.00 . A A . 22 TYR OH 1 1 12 7835 1 1 23 ALA C C 9.179 7.558 0.016 1.00 . A A . 23 ALA C 1 1 12 7836 1 1 23 ALA CA C 7.918 7.007 0.681 1.00 . A A . 23 ALA CA 1 1 12 7837 1 1 23 ALA CB C 8.217 6.622 2.137 1.00 . A A . 23 ALA CB 1 1 12 7838 1 1 23 ALA H H 7.669 4.908 0.234 1.00 . A A . 23 ALA H 1 1 12 7839 1 1 23 ALA HA H 7.148 7.769 0.664 1.00 . A A . 23 ALA HA 1 1 12 7840 1 1 23 ALA HB1 H 9.185 7.002 2.424 1.00 . A A . 23 ALA HB1 1 1 12 7841 1 1 23 ALA HB2 H 8.209 5.548 2.235 1.00 . A A . 23 ALA HB2 1 1 12 7842 1 1 23 ALA HB3 H 7.459 7.043 2.781 1.00 . A A . 23 ALA HB3 1 1 12 7843 1 1 23 ALA N N 7.436 5.810 -0.071 1.00 . A A . 23 ALA N 1 1 12 7844 1 1 23 ALA O O 10.289 7.181 0.335 1.00 . A A . 23 ALA O 1 1 12 7845 1 1 24 TRP C C 11.240 9.500 -0.639 1.00 . A A . 24 TRP C 1 1 12 7846 1 1 24 TRP CA C 10.153 9.061 -1.626 1.00 . A A . 24 TRP CA 1 1 12 7847 1 1 24 TRP CB C 9.656 10.290 -2.407 1.00 . A A . 24 TRP CB 1 1 12 7848 1 1 24 TRP CD1 C 8.158 10.826 -0.425 1.00 . A A . 24 TRP CD1 1 1 12 7849 1 1 24 TRP CD2 C 7.263 11.468 -2.384 1.00 . A A . 24 TRP CD2 1 1 12 7850 1 1 24 TRP CE2 C 6.333 11.814 -1.373 1.00 . A A . 24 TRP CE2 1 1 12 7851 1 1 24 TRP CE3 C 6.932 11.772 -3.716 1.00 . A A . 24 TRP CE3 1 1 12 7852 1 1 24 TRP CG C 8.415 10.833 -1.757 1.00 . A A . 24 TRP CG 1 1 12 7853 1 1 24 TRP CH2 C 4.810 12.732 -2.997 1.00 . A A . 24 TRP CH2 1 1 12 7854 1 1 24 TRP CZ2 C 5.125 12.436 -1.669 1.00 . A A . 24 TRP CZ2 1 1 12 7855 1 1 24 TRP CZ3 C 5.713 12.402 -4.018 1.00 . A A . 24 TRP CZ3 1 1 12 7856 1 1 24 TRP H H 8.089 8.733 -1.139 1.00 . A A . 24 TRP H 1 1 12 7857 1 1 24 TRP HA H 10.565 8.344 -2.317 1.00 . A A . 24 TRP HA 1 1 12 7858 1 1 24 TRP HB2 H 10.423 11.052 -2.417 1.00 . A A . 24 TRP HB2 1 1 12 7859 1 1 24 TRP HB3 H 9.427 9.998 -3.422 1.00 . A A . 24 TRP HB3 1 1 12 7860 1 1 24 TRP HD1 H 8.807 10.429 0.336 1.00 . A A . 24 TRP HD1 1 1 12 7861 1 1 24 TRP HE1 H 6.503 11.512 0.678 1.00 . A A . 24 TRP HE1 1 1 12 7862 1 1 24 TRP HE3 H 7.618 11.522 -4.511 1.00 . A A . 24 TRP HE3 1 1 12 7863 1 1 24 TRP HH2 H 3.875 13.215 -3.235 1.00 . A A . 24 TRP HH2 1 1 12 7864 1 1 24 TRP HZ2 H 4.435 12.687 -0.878 1.00 . A A . 24 TRP HZ2 1 1 12 7865 1 1 24 TRP HZ3 H 5.469 12.632 -5.044 1.00 . A A . 24 TRP HZ3 1 1 12 7866 1 1 24 TRP N N 8.999 8.452 -0.909 1.00 . A A . 24 TRP N 1 1 12 7867 1 1 24 TRP NE1 N 6.924 11.400 -0.200 1.00 . A A . 24 TRP NE1 1 1 12 7868 1 1 24 TRP O O 12.384 9.680 -1.011 1.00 . A A . 24 TRP O 1 1 12 7869 1 1 25 TYR C C 12.847 9.030 2.027 1.00 . A A . 25 TYR C 1 1 12 7870 1 1 25 TYR CA C 11.942 10.190 1.569 1.00 . A A . 25 TYR CA 1 1 12 7871 1 1 25 TYR CB C 11.269 10.894 2.761 1.00 . A A . 25 TYR CB 1 1 12 7872 1 1 25 TYR CD1 C 9.657 9.248 3.794 1.00 . A A . 25 TYR CD1 1 1 12 7873 1 1 25 TYR CD2 C 11.761 9.686 4.916 1.00 . A A . 25 TYR CD2 1 1 12 7874 1 1 25 TYR CE1 C 9.303 8.353 4.809 1.00 . A A . 25 TYR CE1 1 1 12 7875 1 1 25 TYR CE2 C 11.406 8.795 5.935 1.00 . A A . 25 TYR CE2 1 1 12 7876 1 1 25 TYR CG C 10.887 9.912 3.845 1.00 . A A . 25 TYR CG 1 1 12 7877 1 1 25 TYR CZ C 10.178 8.127 5.881 1.00 . A A . 25 TYR CZ 1 1 12 7878 1 1 25 TYR H H 9.934 9.568 0.919 1.00 . A A . 25 TYR H 1 1 12 7879 1 1 25 TYR HA H 12.560 10.914 1.057 1.00 . A A . 25 TYR HA 1 1 12 7880 1 1 25 TYR HB2 H 11.953 11.621 3.171 1.00 . A A . 25 TYR HB2 1 1 12 7881 1 1 25 TYR HB3 H 10.381 11.404 2.414 1.00 . A A . 25 TYR HB3 1 1 12 7882 1 1 25 TYR HD1 H 8.982 9.422 2.969 1.00 . A A . 25 TYR HD1 1 1 12 7883 1 1 25 TYR HD2 H 12.709 10.201 4.956 1.00 . A A . 25 TYR HD2 1 1 12 7884 1 1 25 TYR HE1 H 8.354 7.837 4.768 1.00 . A A . 25 TYR HE1 1 1 12 7885 1 1 25 TYR HE2 H 12.080 8.620 6.759 1.00 . A A . 25 TYR HE2 1 1 12 7886 1 1 25 TYR HH H 10.260 6.404 6.703 1.00 . A A . 25 TYR HH 1 1 12 7887 1 1 25 TYR N N 10.904 9.719 0.607 1.00 . A A . 25 TYR N 1 1 12 7888 1 1 25 TYR O O 14.053 9.169 2.046 1.00 . A A . 25 TYR O 1 1 12 7889 1 1 25 TYR OH O 9.829 7.245 6.884 1.00 . A A . 25 TYR OH 1 1 12 7890 1 1 26 ASN C C 13.301 5.726 1.661 1.00 . A A . 26 ASN C 1 1 12 7891 1 1 26 ASN CA C 13.194 6.747 2.795 1.00 . A A . 26 ASN CA 1 1 12 7892 1 1 26 ASN CB C 12.652 6.071 4.058 1.00 . A A . 26 ASN CB 1 1 12 7893 1 1 26 ASN CG C 11.310 5.396 3.775 1.00 . A A . 26 ASN CG 1 1 12 7894 1 1 26 ASN H H 11.334 7.765 2.336 1.00 . A A . 26 ASN H 1 1 12 7895 1 1 26 ASN HA H 14.183 7.133 3.004 1.00 . A A . 26 ASN HA 1 1 12 7896 1 1 26 ASN HB2 H 13.364 5.327 4.391 1.00 . A A . 26 ASN HB2 1 1 12 7897 1 1 26 ASN HB3 H 12.526 6.809 4.834 1.00 . A A . 26 ASN HB3 1 1 12 7898 1 1 26 ASN HD21 H 11.385 5.722 1.821 1.00 . A A . 26 ASN HD21 1 1 12 7899 1 1 26 ASN HD22 H 10.070 4.896 2.366 1.00 . A A . 26 ASN HD22 1 1 12 7900 1 1 26 ASN N N 12.305 7.884 2.372 1.00 . A A . 26 ASN N 1 1 12 7901 1 1 26 ASN ND2 N 10.864 5.335 2.553 1.00 . A A . 26 ASN ND2 1 1 12 7902 1 1 26 ASN O O 13.844 4.652 1.828 1.00 . A A . 26 ASN O 1 1 12 7903 1 1 26 ASN OD1 O 10.654 4.923 4.683 1.00 . A A . 26 ASN OD1 1 1 12 7904 1 1 27 GLN C C 12.227 3.788 -0.350 1.00 . A A . 27 GLN C 1 1 12 7905 1 1 27 GLN CA C 12.880 5.142 -0.664 1.00 . A A . 27 GLN CA 1 1 12 7906 1 1 27 GLN CB C 14.350 4.927 -1.023 1.00 . A A . 27 GLN CB 1 1 12 7907 1 1 27 GLN CD C 14.310 6.837 -2.635 1.00 . A A . 27 GLN CD 1 1 12 7908 1 1 27 GLN CG C 14.988 6.272 -1.387 1.00 . A A . 27 GLN CG 1 1 12 7909 1 1 27 GLN H H 12.379 6.944 0.402 1.00 . A A . 27 GLN H 1 1 12 7910 1 1 27 GLN HA H 12.374 5.593 -1.503 1.00 . A A . 27 GLN HA 1 1 12 7911 1 1 27 GLN HB2 H 14.869 4.498 -0.177 1.00 . A A . 27 GLN HB2 1 1 12 7912 1 1 27 GLN HB3 H 14.421 4.258 -1.865 1.00 . A A . 27 GLN HB3 1 1 12 7913 1 1 27 GLN HE21 H 14.133 8.665 -1.881 1.00 . A A . 27 GLN HE21 1 1 12 7914 1 1 27 GLN HE22 H 13.527 8.467 -3.455 1.00 . A A . 27 GLN HE22 1 1 12 7915 1 1 27 GLN HG2 H 14.868 6.963 -0.565 1.00 . A A . 27 GLN HG2 1 1 12 7916 1 1 27 GLN HG3 H 16.038 6.126 -1.585 1.00 . A A . 27 GLN HG3 1 1 12 7917 1 1 27 GLN N N 12.799 6.066 0.506 1.00 . A A . 27 GLN N 1 1 12 7918 1 1 27 GLN NE2 N 13.962 8.095 -2.658 1.00 . A A . 27 GLN NE2 1 1 12 7919 1 1 27 GLN O O 12.419 2.825 -1.064 1.00 . A A . 27 GLN O 1 1 12 7920 1 1 27 GLN OE1 O 14.099 6.130 -3.600 1.00 . A A . 27 GLN OE1 1 1 12 7921 1 1 28 GLN C C 9.265 2.572 1.016 1.00 . A A . 28 GLN C 1 1 12 7922 1 1 28 GLN CA C 10.787 2.403 1.045 1.00 . A A . 28 GLN CA 1 1 12 7923 1 1 28 GLN CB C 11.212 1.966 2.448 1.00 . A A . 28 GLN CB 1 1 12 7924 1 1 28 GLN CD C 13.099 1.144 3.857 1.00 . A A . 28 GLN CD 1 1 12 7925 1 1 28 GLN CG C 12.683 1.550 2.442 1.00 . A A . 28 GLN CG 1 1 12 7926 1 1 28 GLN H H 11.304 4.491 1.262 1.00 . A A . 28 GLN H 1 1 12 7927 1 1 28 GLN HA H 11.076 1.645 0.331 1.00 . A A . 28 GLN HA 1 1 12 7928 1 1 28 GLN HB2 H 11.071 2.788 3.136 1.00 . A A . 28 GLN HB2 1 1 12 7929 1 1 28 GLN HB3 H 10.605 1.127 2.762 1.00 . A A . 28 GLN HB3 1 1 12 7930 1 1 28 GLN HE21 H 14.847 2.087 3.769 1.00 . A A . 28 GLN HE21 1 1 12 7931 1 1 28 GLN HE22 H 14.528 1.281 5.229 1.00 . A A . 28 GLN HE22 1 1 12 7932 1 1 28 GLN HG2 H 12.819 0.714 1.771 1.00 . A A . 28 GLN HG2 1 1 12 7933 1 1 28 GLN HG3 H 13.291 2.380 2.112 1.00 . A A . 28 GLN HG3 1 1 12 7934 1 1 28 GLN N N 11.452 3.703 0.701 1.00 . A A . 28 GLN N 1 1 12 7935 1 1 28 GLN NE2 N 14.254 1.536 4.323 1.00 . A A . 28 GLN NE2 1 1 12 7936 1 1 28 GLN O O 8.735 3.558 1.481 1.00 . A A . 28 GLN O 1 1 12 7937 1 1 28 GLN OE1 O 12.372 0.452 4.540 1.00 . A A . 28 GLN OE1 1 1 12 7938 1 1 29 SER C C 6.456 0.975 1.627 1.00 . A A . 29 SER C 1 1 12 7939 1 1 29 SER CA C 7.062 1.721 0.437 1.00 . A A . 29 SER CA 1 1 12 7940 1 1 29 SER CB C 6.537 1.118 -0.866 1.00 . A A . 29 SER CB 1 1 12 7941 1 1 29 SER H H 8.998 0.817 0.118 1.00 . A A . 29 SER H 1 1 12 7942 1 1 29 SER HA H 6.782 2.758 0.490 1.00 . A A . 29 SER HA 1 1 12 7943 1 1 29 SER HB2 H 6.576 0.044 -0.807 1.00 . A A . 29 SER HB2 1 1 12 7944 1 1 29 SER HB3 H 5.512 1.433 -1.018 1.00 . A A . 29 SER HB3 1 1 12 7945 1 1 29 SER HG H 6.801 2.089 -2.533 1.00 . A A . 29 SER HG 1 1 12 7946 1 1 29 SER N N 8.553 1.611 0.482 1.00 . A A . 29 SER N 1 1 12 7947 1 1 29 SER O O 6.798 -0.155 1.894 1.00 . A A . 29 SER O 1 1 12 7948 1 1 29 SER OG O 7.349 1.558 -1.947 1.00 . A A . 29 SER OG 1 1 12 7949 1 1 30 SER C C 3.422 0.793 3.280 1.00 . A A . 30 SER C 1 1 12 7950 1 1 30 SER CA C 4.925 0.945 3.512 1.00 . A A . 30 SER CA 1 1 12 7951 1 1 30 SER CB C 5.159 1.796 4.760 1.00 . A A . 30 SER CB 1 1 12 7952 1 1 30 SER H H 5.295 2.501 2.103 1.00 . A A . 30 SER H 1 1 12 7953 1 1 30 SER HA H 5.365 -0.015 3.646 1.00 . A A . 30 SER HA 1 1 12 7954 1 1 30 SER HB2 H 6.215 1.960 4.895 1.00 . A A . 30 SER HB2 1 1 12 7955 1 1 30 SER HB3 H 4.662 2.749 4.640 1.00 . A A . 30 SER HB3 1 1 12 7956 1 1 30 SER HG H 3.689 1.235 5.904 1.00 . A A . 30 SER HG 1 1 12 7957 1 1 30 SER N N 5.554 1.603 2.341 1.00 . A A . 30 SER N 1 1 12 7958 1 1 30 SER O O 2.671 1.742 3.382 1.00 . A A . 30 SER O 1 1 12 7959 1 1 30 SER OG O 4.643 1.117 5.897 1.00 . A A . 30 SER OG 1 1 12 7960 1 1 31 CYS C C 0.738 -0.297 4.025 1.00 . A A . 31 CYS C 1 1 12 7961 1 1 31 CYS CA C 1.511 -0.568 2.738 1.00 . A A . 31 CYS CA 1 1 12 7962 1 1 31 CYS CB C 1.224 -1.994 2.259 1.00 . A A . 31 CYS CB 1 1 12 7963 1 1 31 CYS H H 3.577 -1.153 2.892 1.00 . A A . 31 CYS H 1 1 12 7964 1 1 31 CYS HA H 1.196 0.131 1.987 1.00 . A A . 31 CYS HA 1 1 12 7965 1 1 31 CYS HB2 H 2.151 -2.538 2.163 1.00 . A A . 31 CYS HB2 1 1 12 7966 1 1 31 CYS HB3 H 0.587 -2.498 2.970 1.00 . A A . 31 CYS HB3 1 1 12 7967 1 1 31 CYS N N 2.967 -0.389 2.971 1.00 . A A . 31 CYS N 1 1 12 7968 1 1 31 CYS O O 1.257 -0.438 5.113 1.00 . A A . 31 CYS O 1 1 12 7969 1 1 31 CYS SG S 0.396 -1.925 0.652 1.00 . A A . 31 CYS SG 1 1 12 7970 1 1 32 GLU C C -2.759 -0.032 4.914 1.00 . A A . 32 GLU C 1 1 12 7971 1 1 32 GLU CA C -1.304 0.387 5.129 1.00 . A A . 32 GLU CA 1 1 12 7972 1 1 32 GLU CB C -1.254 1.881 5.430 1.00 . A A . 32 GLU CB 1 1 12 7973 1 1 32 GLU CD C 0.199 3.774 6.155 1.00 . A A . 32 GLU CD 1 1 12 7974 1 1 32 GLU CG C 0.168 2.281 5.828 1.00 . A A . 32 GLU CG 1 1 12 7975 1 1 32 GLU H H -0.900 0.216 3.021 1.00 . A A . 32 GLU H 1 1 12 7976 1 1 32 GLU HA H -0.894 -0.160 5.969 1.00 . A A . 32 GLU HA 1 1 12 7977 1 1 32 GLU HB2 H -1.548 2.431 4.549 1.00 . A A . 32 GLU HB2 1 1 12 7978 1 1 32 GLU HB3 H -1.932 2.108 6.241 1.00 . A A . 32 GLU HB3 1 1 12 7979 1 1 32 GLU HG2 H 0.473 1.712 6.693 1.00 . A A . 32 GLU HG2 1 1 12 7980 1 1 32 GLU HG3 H 0.838 2.083 5.009 1.00 . A A . 32 GLU HG3 1 1 12 7981 1 1 32 GLU N N -0.502 0.101 3.909 1.00 . A A . 32 GLU N 1 1 12 7982 1 1 32 GLU O O -3.343 0.203 3.869 1.00 . A A . 32 GLU O 1 1 12 7983 1 1 32 GLU OE1 O -0.856 4.382 6.146 1.00 . A A . 32 GLU OE1 1 1 12 7984 1 1 32 GLU OE2 O 1.278 4.283 6.414 1.00 . A A . 32 GLU OE2 1 1 12 7985 1 1 33 ARG C C -5.674 0.164 5.912 1.00 . A A . 33 ARG C 1 1 12 7986 1 1 33 ARG CA C -4.761 -1.074 5.805 1.00 . A A . 33 ARG CA 1 1 12 7987 1 1 33 ARG CB C -5.052 -2.090 6.933 1.00 . A A . 33 ARG CB 1 1 12 7988 1 1 33 ARG CD C -6.634 -1.212 8.705 1.00 . A A . 33 ARG CD 1 1 12 7989 1 1 33 ARG CG C -6.523 -2.023 7.400 1.00 . A A . 33 ARG CG 1 1 12 7990 1 1 33 ARG CZ C -6.937 -1.655 11.059 1.00 . A A . 33 ARG CZ 1 1 12 7991 1 1 33 ARG H H -2.838 -0.824 6.730 1.00 . A A . 33 ARG H 1 1 12 7992 1 1 33 ARG HA H -4.918 -1.549 4.847 1.00 . A A . 33 ARG HA 1 1 12 7993 1 1 33 ARG HB2 H -4.848 -3.087 6.565 1.00 . A A . 33 ARG HB2 1 1 12 7994 1 1 33 ARG HB3 H -4.398 -1.889 7.769 1.00 . A A . 33 ARG HB3 1 1 12 7995 1 1 33 ARG HD2 H -5.792 -0.537 8.793 1.00 . A A . 33 ARG HD2 1 1 12 7996 1 1 33 ARG HD3 H -7.548 -0.640 8.694 1.00 . A A . 33 ARG HD3 1 1 12 7997 1 1 33 ARG HE H -6.415 -3.078 9.769 1.00 . A A . 33 ARG HE 1 1 12 7998 1 1 33 ARG HG2 H -7.134 -1.565 6.635 1.00 . A A . 33 ARG HG2 1 1 12 7999 1 1 33 ARG HG3 H -6.877 -3.024 7.582 1.00 . A A . 33 ARG HG3 1 1 12 8000 1 1 33 ARG HH11 H -7.317 0.184 10.370 1.00 . A A . 33 ARG HH11 1 1 12 8001 1 1 33 ARG HH12 H -7.504 -0.029 12.080 1.00 . A A . 33 ARG HH12 1 1 12 8002 1 1 33 ARG HH21 H -6.656 -3.401 12.006 1.00 . A A . 33 ARG HH21 1 1 12 8003 1 1 33 ARG HH22 H -7.121 -2.068 13.010 1.00 . A A . 33 ARG HH22 1 1 12 8004 1 1 33 ARG N N -3.340 -0.651 5.903 1.00 . A A . 33 ARG N 1 1 12 8005 1 1 33 ARG NE N -6.645 -2.128 9.878 1.00 . A A . 33 ARG NE 1 1 12 8006 1 1 33 ARG NH1 N -7.279 -0.402 11.179 1.00 . A A . 33 ARG NH1 1 1 12 8007 1 1 33 ARG NH2 N -6.904 -2.434 12.108 1.00 . A A . 33 ARG NH2 1 1 12 8008 1 1 33 ARG O O -6.160 0.486 6.972 1.00 . A A . 33 ARG O 1 1 12 8009 1 1 34 LYS C C -7.933 1.901 3.859 1.00 . A A . 34 LYS C 1 1 12 8010 1 1 34 LYS CA C -6.845 2.033 4.924 1.00 . A A . 34 LYS CA 1 1 12 8011 1 1 34 LYS CB C -6.084 3.348 4.722 1.00 . A A . 34 LYS CB 1 1 12 8012 1 1 34 LYS CD C -3.869 4.479 4.844 1.00 . A A . 34 LYS CD 1 1 12 8013 1 1 34 LYS CE C -4.253 5.607 5.810 1.00 . A A . 34 LYS CE 1 1 12 8014 1 1 34 LYS CG C -4.640 3.203 5.189 1.00 . A A . 34 LYS CG 1 1 12 8015 1 1 34 LYS H H -5.562 0.596 3.990 1.00 . A A . 34 LYS H 1 1 12 8016 1 1 34 LYS HA H -7.302 2.031 5.880 1.00 . A A . 34 LYS HA 1 1 12 8017 1 1 34 LYS HB2 H -6.098 3.618 3.681 1.00 . A A . 34 LYS HB2 1 1 12 8018 1 1 34 LYS HB3 H -6.565 4.124 5.297 1.00 . A A . 34 LYS HB3 1 1 12 8019 1 1 34 LYS HD2 H -2.811 4.289 4.915 1.00 . A A . 34 LYS HD2 1 1 12 8020 1 1 34 LYS HD3 H -4.111 4.779 3.833 1.00 . A A . 34 LYS HD3 1 1 12 8021 1 1 34 LYS HE2 H -5.250 5.952 5.583 1.00 . A A . 34 LYS HE2 1 1 12 8022 1 1 34 LYS HE3 H -4.222 5.236 6.823 1.00 . A A . 34 LYS HE3 1 1 12 8023 1 1 34 LYS HG2 H -4.617 3.039 6.257 1.00 . A A . 34 LYS HG2 1 1 12 8024 1 1 34 LYS HG3 H -4.183 2.367 4.685 1.00 . A A . 34 LYS HG3 1 1 12 8025 1 1 34 LYS HZ1 H -2.569 6.681 6.406 1.00 . A A . 34 LYS HZ1 1 1 12 8026 1 1 34 LYS HZ2 H -3.805 7.640 5.748 1.00 . A A . 34 LYS HZ2 1 1 12 8027 1 1 34 LYS HZ3 H -2.837 6.686 4.729 1.00 . A A . 34 LYS HZ3 1 1 12 8028 1 1 34 LYS N N -5.937 0.857 4.836 1.00 . A A . 34 LYS N 1 1 12 8029 1 1 34 LYS NZ N -3.292 6.739 5.662 1.00 . A A . 34 LYS NZ 1 1 12 8030 1 1 34 LYS O O -9.011 2.448 3.977 1.00 . A A . 34 LYS O 1 1 12 8031 1 1 35 TRP C C -8.883 -0.541 1.585 1.00 . A A . 35 TRP C 1 1 12 8032 1 1 35 TRP CA C -8.629 0.955 1.723 1.00 . A A . 35 TRP CA 1 1 12 8033 1 1 35 TRP CB C -8.052 1.479 0.403 1.00 . A A . 35 TRP CB 1 1 12 8034 1 1 35 TRP CD1 C -6.289 3.012 1.361 1.00 . A A . 35 TRP CD1 1 1 12 8035 1 1 35 TRP CD2 C -7.818 4.118 0.139 1.00 . A A . 35 TRP CD2 1 1 12 8036 1 1 35 TRP CE2 C -6.908 5.088 0.623 1.00 . A A . 35 TRP CE2 1 1 12 8037 1 1 35 TRP CE3 C -8.885 4.554 -0.666 1.00 . A A . 35 TRP CE3 1 1 12 8038 1 1 35 TRP CG C -7.409 2.810 0.631 1.00 . A A . 35 TRP CG 1 1 12 8039 1 1 35 TRP CH2 C -8.119 6.860 -0.483 1.00 . A A . 35 TRP CH2 1 1 12 8040 1 1 35 TRP CZ2 C -7.052 6.444 0.318 1.00 . A A . 35 TRP CZ2 1 1 12 8041 1 1 35 TRP CZ3 C -9.033 5.918 -0.975 1.00 . A A . 35 TRP CZ3 1 1 12 8042 1 1 35 TRP H H -6.770 0.741 2.773 1.00 . A A . 35 TRP H 1 1 12 8043 1 1 35 TRP HA H -9.554 1.464 1.947 1.00 . A A . 35 TRP HA 1 1 12 8044 1 1 35 TRP HB2 H -7.316 0.784 0.025 1.00 . A A . 35 TRP HB2 1 1 12 8045 1 1 35 TRP HB3 H -8.849 1.583 -0.320 1.00 . A A . 35 TRP HB3 1 1 12 8046 1 1 35 TRP HD1 H -5.723 2.243 1.871 1.00 . A A . 35 TRP HD1 1 1 12 8047 1 1 35 TRP HE1 H -5.235 4.777 1.828 1.00 . A A . 35 TRP HE1 1 1 12 8048 1 1 35 TRP HE3 H -9.593 3.837 -1.053 1.00 . A A . 35 TRP HE3 1 1 12 8049 1 1 35 TRP HH2 H -8.241 7.907 -0.723 1.00 . A A . 35 TRP HH2 1 1 12 8050 1 1 35 TRP HZ2 H -6.346 7.167 0.701 1.00 . A A . 35 TRP HZ2 1 1 12 8051 1 1 35 TRP HZ3 H -9.857 6.241 -1.593 1.00 . A A . 35 TRP HZ3 1 1 12 8052 1 1 35 TRP N N -7.645 1.167 2.824 1.00 . A A . 35 TRP N 1 1 12 8053 1 1 35 TRP NE1 N -5.995 4.364 1.365 1.00 . A A . 35 TRP NE1 1 1 12 8054 1 1 35 TRP O O -8.471 -1.327 2.418 1.00 . A A . 35 TRP O 1 1 12 8055 1 1 36 LYS C C -10.058 -3.091 1.625 1.00 . A A . 36 LYS C 1 1 12 8056 1 1 36 LYS CA C -9.777 -2.390 0.290 1.00 . A A . 36 LYS CA 1 1 12 8057 1 1 36 LYS CB C -8.507 -3.002 -0.309 1.00 . A A . 36 LYS CB 1 1 12 8058 1 1 36 LYS CD C -6.343 -2.088 -1.180 1.00 . A A . 36 LYS CD 1 1 12 8059 1 1 36 LYS CE C -5.687 -1.092 -2.141 1.00 . A A . 36 LYS CE 1 1 12 8060 1 1 36 LYS CG C -7.870 -2.045 -1.333 1.00 . A A . 36 LYS CG 1 1 12 8061 1 1 36 LYS H H -9.812 -0.287 -0.148 1.00 . A A . 36 LYS H 1 1 12 8062 1 1 36 LYS HA H -10.605 -2.524 -0.385 1.00 . A A . 36 LYS HA 1 1 12 8063 1 1 36 LYS HB2 H -7.802 -3.190 0.486 1.00 . A A . 36 LYS HB2 1 1 12 8064 1 1 36 LYS HB3 H -8.752 -3.932 -0.797 1.00 . A A . 36 LYS HB3 1 1 12 8065 1 1 36 LYS HD2 H -6.079 -1.832 -0.165 1.00 . A A . 36 LYS HD2 1 1 12 8066 1 1 36 LYS HD3 H -5.989 -3.082 -1.402 1.00 . A A . 36 LYS HD3 1 1 12 8067 1 1 36 LYS HE2 H -6.342 -0.247 -2.302 1.00 . A A . 36 LYS HE2 1 1 12 8068 1 1 36 LYS HE3 H -4.755 -0.750 -1.722 1.00 . A A . 36 LYS HE3 1 1 12 8069 1 1 36 LYS HG2 H -8.141 -2.357 -2.332 1.00 . A A . 36 LYS HG2 1 1 12 8070 1 1 36 LYS HG3 H -8.215 -1.040 -1.166 1.00 . A A . 36 LYS HG3 1 1 12 8071 1 1 36 LYS HZ1 H -6.039 -1.381 -4.170 1.00 . A A . 36 LYS HZ1 1 1 12 8072 1 1 36 LYS HZ2 H -5.623 -2.794 -3.331 1.00 . A A . 36 LYS HZ2 1 1 12 8073 1 1 36 LYS HZ3 H -4.427 -1.645 -3.700 1.00 . A A . 36 LYS HZ3 1 1 12 8074 1 1 36 LYS N N -9.522 -0.940 0.519 1.00 . A A . 36 LYS N 1 1 12 8075 1 1 36 LYS NZ N -5.425 -1.779 -3.434 1.00 . A A . 36 LYS NZ 1 1 12 8076 1 1 36 LYS O O -9.834 -4.278 1.760 1.00 . A A . 36 LYS O 1 1 12 8077 1 1 37 TYR C C -12.234 -3.325 4.138 1.00 . A A . 37 TYR C 1 1 12 8078 1 1 37 TYR CA C -10.754 -3.033 3.937 1.00 . A A . 37 TYR CA 1 1 12 8079 1 1 37 TYR CB C -10.243 -2.136 5.068 1.00 . A A . 37 TYR CB 1 1 12 8080 1 1 37 TYR CD1 C -8.945 -3.975 6.192 1.00 . A A . 37 TYR CD1 1 1 12 8081 1 1 37 TYR CD2 C -10.673 -2.838 7.459 1.00 . A A . 37 TYR CD2 1 1 12 8082 1 1 37 TYR CE1 C -8.674 -4.794 7.293 1.00 . A A . 37 TYR CE1 1 1 12 8083 1 1 37 TYR CE2 C -10.397 -3.654 8.563 1.00 . A A . 37 TYR CE2 1 1 12 8084 1 1 37 TYR CG C -9.945 -2.998 6.272 1.00 . A A . 37 TYR CG 1 1 12 8085 1 1 37 TYR CZ C -9.399 -4.632 8.480 1.00 . A A . 37 TYR CZ 1 1 12 8086 1 1 37 TYR H H -10.694 -1.368 2.501 1.00 . A A . 37 TYR H 1 1 12 8087 1 1 37 TYR HA H -10.222 -3.960 3.957 1.00 . A A . 37 TYR HA 1 1 12 8088 1 1 37 TYR HB2 H -9.343 -1.630 4.751 1.00 . A A . 37 TYR HB2 1 1 12 8089 1 1 37 TYR HB3 H -10.997 -1.409 5.325 1.00 . A A . 37 TYR HB3 1 1 12 8090 1 1 37 TYR HD1 H -8.382 -4.098 5.279 1.00 . A A . 37 TYR HD1 1 1 12 8091 1 1 37 TYR HD2 H -11.440 -2.084 7.523 1.00 . A A . 37 TYR HD2 1 1 12 8092 1 1 37 TYR HE1 H -7.901 -5.549 7.229 1.00 . A A . 37 TYR HE1 1 1 12 8093 1 1 37 TYR HE2 H -10.955 -3.531 9.477 1.00 . A A . 37 TYR HE2 1 1 12 8094 1 1 37 TYR HH H -8.423 -6.039 9.324 1.00 . A A . 37 TYR HH 1 1 12 8095 1 1 37 TYR N N -10.510 -2.375 2.622 1.00 . A A . 37 TYR N 1 1 12 8096 1 1 37 TYR O O -12.592 -4.238 4.851 1.00 . A A . 37 TYR O 1 1 12 8097 1 1 37 TYR OH O -9.133 -5.439 9.566 1.00 . A A . 37 TYR OH 1 1 12 8098 1 1 38 LEU C C -14.879 -3.914 4.592 1.00 . A A . 38 LEU C 1 1 12 8099 1 1 38 LEU CA C -14.565 -2.740 3.654 1.00 . A A . 38 LEU CA 1 1 12 8100 1 1 38 LEU CB C -15.149 -2.998 2.258 1.00 . A A . 38 LEU CB 1 1 12 8101 1 1 38 LEU CD1 C -17.291 -2.360 3.552 1.00 . A A . 38 LEU CD1 1 1 12 8102 1 1 38 LEU CD2 C -17.111 -1.853 1.105 1.00 . A A . 38 LEU CD2 1 1 12 8103 1 1 38 LEU CG C -16.703 -2.847 2.214 1.00 . A A . 38 LEU CG 1 1 12 8104 1 1 38 LEU H H -12.731 -1.836 2.957 1.00 . A A . 38 LEU H 1 1 12 8105 1 1 38 LEU HA H -14.983 -1.838 4.062 1.00 . A A . 38 LEU HA 1 1 12 8106 1 1 38 LEU HB2 H -14.698 -2.303 1.566 1.00 . A A . 38 LEU HB2 1 1 12 8107 1 1 38 LEU HB3 H -14.885 -4.004 1.956 1.00 . A A . 38 LEU HB3 1 1 12 8108 1 1 38 LEU HD11 H -17.047 -3.055 4.337 1.00 . A A . 38 LEU HD11 1 1 12 8109 1 1 38 LEU HD12 H -18.365 -2.291 3.465 1.00 . A A . 38 LEU HD12 1 1 12 8110 1 1 38 LEU HD13 H -16.898 -1.385 3.792 1.00 . A A . 38 LEU HD13 1 1 12 8111 1 1 38 LEU HD21 H -16.302 -1.723 0.402 1.00 . A A . 38 LEU HD21 1 1 12 8112 1 1 38 LEU HD22 H -17.355 -0.895 1.546 1.00 . A A . 38 LEU HD22 1 1 12 8113 1 1 38 LEU HD23 H -17.976 -2.235 0.584 1.00 . A A . 38 LEU HD23 1 1 12 8114 1 1 38 LEU HG H -17.134 -3.813 1.986 1.00 . A A . 38 LEU HG 1 1 12 8115 1 1 38 LEU N N -13.079 -2.553 3.519 1.00 . A A . 38 LEU N 1 1 12 8116 1 1 38 LEU O O -14.514 -3.910 5.753 1.00 . A A . 38 LEU O 1 1 12 8117 1 1 39 PHE C C -14.588 -6.718 5.490 1.00 . A A . 39 PHE C 1 1 12 8118 1 1 39 PHE CA C -15.876 -6.079 4.989 1.00 . A A . 39 PHE CA 1 1 12 8119 1 1 39 PHE CB C -16.708 -7.104 4.216 1.00 . A A . 39 PHE CB 1 1 12 8120 1 1 39 PHE CD1 C -17.031 -8.288 6.437 1.00 . A A . 39 PHE CD1 1 1 12 8121 1 1 39 PHE CD2 C -16.910 -9.605 4.403 1.00 . A A . 39 PHE CD2 1 1 12 8122 1 1 39 PHE CE1 C -17.195 -9.458 7.185 1.00 . A A . 39 PHE CE1 1 1 12 8123 1 1 39 PHE CE2 C -17.076 -10.775 5.153 1.00 . A A . 39 PHE CE2 1 1 12 8124 1 1 39 PHE CG C -16.885 -8.361 5.041 1.00 . A A . 39 PHE CG 1 1 12 8125 1 1 39 PHE CZ C -17.220 -10.702 6.543 1.00 . A A . 39 PHE CZ 1 1 12 8126 1 1 39 PHE H H -15.850 -4.915 3.175 1.00 . A A . 39 PHE H 1 1 12 8127 1 1 39 PHE HA H -16.431 -5.726 5.827 1.00 . A A . 39 PHE HA 1 1 12 8128 1 1 39 PHE HB2 H -17.677 -6.684 3.990 1.00 . A A . 39 PHE HB2 1 1 12 8129 1 1 39 PHE HB3 H -16.203 -7.352 3.294 1.00 . A A . 39 PHE HB3 1 1 12 8130 1 1 39 PHE HD1 H -17.014 -7.333 6.939 1.00 . A A . 39 PHE HD1 1 1 12 8131 1 1 39 PHE HD2 H -16.802 -9.662 3.331 1.00 . A A . 39 PHE HD2 1 1 12 8132 1 1 39 PHE HE1 H -17.305 -9.402 8.259 1.00 . A A . 39 PHE HE1 1 1 12 8133 1 1 39 PHE HE2 H -17.097 -11.735 4.659 1.00 . A A . 39 PHE HE2 1 1 12 8134 1 1 39 PHE HZ H -17.345 -11.606 7.122 1.00 . A A . 39 PHE HZ 1 1 12 8135 1 1 39 PHE N N -15.555 -4.920 4.111 1.00 . A A . 39 PHE N 1 1 12 8136 1 1 39 PHE O O -14.450 -7.064 6.647 1.00 . A A . 39 PHE O 1 1 12 8137 1 1 40 THR C C -11.261 -7.037 4.042 1.00 . A A . 40 THR C 1 1 12 8138 1 1 40 THR CA C -12.359 -7.518 4.983 1.00 . A A . 40 THR CA 1 1 12 8139 1 1 40 THR CB C -12.485 -9.047 4.887 1.00 . A A . 40 THR CB 1 1 12 8140 1 1 40 THR CG2 C -13.227 -9.453 3.603 1.00 . A A . 40 THR CG2 1 1 12 8141 1 1 40 THR H H -13.820 -6.602 3.694 1.00 . A A . 40 THR H 1 1 12 8142 1 1 40 THR HA H -12.101 -7.246 5.987 1.00 . A A . 40 THR HA 1 1 12 8143 1 1 40 THR HB H -13.030 -9.414 5.744 1.00 . A A . 40 THR HB 1 1 12 8144 1 1 40 THR HG1 H -10.748 -9.366 5.696 1.00 . A A . 40 THR HG1 1 1 12 8145 1 1 40 THR HG21 H -12.515 -9.809 2.873 1.00 . A A . 40 THR HG21 1 1 12 8146 1 1 40 THR HG22 H -13.760 -8.606 3.198 1.00 . A A . 40 THR HG22 1 1 12 8147 1 1 40 THR HG23 H -13.929 -10.244 3.827 1.00 . A A . 40 THR HG23 1 1 12 8148 1 1 40 THR N N -13.656 -6.885 4.611 1.00 . A A . 40 THR N 1 1 12 8149 1 1 40 THR O O -10.689 -5.986 4.230 1.00 . A A . 40 THR O 1 1 12 8150 1 1 40 THR OG1 O -11.185 -9.618 4.883 1.00 . A A . 40 THR OG1 1 1 12 8151 1 1 41 GLY C C -10.498 -6.979 0.752 1.00 . A A . 41 GLY C 1 1 12 8152 1 1 41 GLY CA C -9.880 -7.411 2.085 1.00 . A A . 41 GLY CA 1 1 12 8153 1 1 41 GLY H H -11.421 -8.654 2.935 1.00 . A A . 41 GLY H 1 1 12 8154 1 1 41 GLY HA2 H -9.310 -6.590 2.497 1.00 . A A . 41 GLY HA2 1 1 12 8155 1 1 41 GLY HA3 H -9.224 -8.250 1.913 1.00 . A A . 41 GLY HA3 1 1 12 8156 1 1 41 GLY N N -10.954 -7.808 3.045 1.00 . A A . 41 GLY N 1 1 12 8157 1 1 41 GLY O O -10.903 -5.845 0.583 1.00 . A A . 41 GLY O 1 1 12 8158 1 1 42 GLU C C -10.260 -6.428 -2.170 1.00 . A A . 42 GLU C 1 1 12 8159 1 1 42 GLU CA C -11.152 -7.500 -1.521 1.00 . A A . 42 GLU CA 1 1 12 8160 1 1 42 GLU CB C -12.604 -6.990 -1.313 1.00 . A A . 42 GLU CB 1 1 12 8161 1 1 42 GLU CD C -12.962 -5.986 -3.589 1.00 . A A . 42 GLU CD 1 1 12 8162 1 1 42 GLU CG C -12.866 -5.688 -2.090 1.00 . A A . 42 GLU CG 1 1 12 8163 1 1 42 GLU H H -10.233 -8.778 -0.047 1.00 . A A . 42 GLU H 1 1 12 8164 1 1 42 GLU HA H -11.167 -8.376 -2.155 1.00 . A A . 42 GLU HA 1 1 12 8165 1 1 42 GLU HB2 H -13.296 -7.746 -1.660 1.00 . A A . 42 GLU HB2 1 1 12 8166 1 1 42 GLU HB3 H -12.778 -6.815 -0.261 1.00 . A A . 42 GLU HB3 1 1 12 8167 1 1 42 GLU HG2 H -13.794 -5.254 -1.749 1.00 . A A . 42 GLU HG2 1 1 12 8168 1 1 42 GLU HG3 H -12.070 -4.986 -1.915 1.00 . A A . 42 GLU HG3 1 1 12 8169 1 1 42 GLU N N -10.570 -7.870 -0.199 1.00 . A A . 42 GLU N 1 1 12 8170 1 1 42 GLU O O -10.225 -5.295 -1.748 1.00 . A A . 42 GLU O 1 1 12 8171 1 1 42 GLU OE1 O -13.388 -7.078 -3.934 1.00 . A A . 42 GLU OE1 1 1 12 8172 1 1 42 GLU OE2 O -12.603 -5.117 -4.367 1.00 . A A . 42 GLU OE2 1 1 12 8173 1 1 43 CYS C C -8.438 -6.148 -5.320 1.00 . A A . 43 CYS C 1 1 12 8174 1 1 43 CYS CA C -8.631 -5.779 -3.844 1.00 . A A . 43 CYS CA 1 1 12 8175 1 1 43 CYS CB C -7.279 -5.750 -3.114 1.00 . A A . 43 CYS CB 1 1 12 8176 1 1 43 CYS H H -9.544 -7.707 -3.511 1.00 . A A . 43 CYS H 1 1 12 8177 1 1 43 CYS HXT H -8.687 -5.628 -7.069 1.00 . A A . 43 CYS HXT 1 1 12 8178 1 1 43 CYS HA H -9.091 -4.801 -3.782 1.00 . A A . 43 CYS HA 1 1 12 8179 1 1 43 CYS HB2 H -7.223 -4.864 -2.499 1.00 . A A . 43 CYS HB2 1 1 12 8180 1 1 43 CYS HB3 H -7.200 -6.623 -2.486 1.00 . A A . 43 CYS HB3 1 1 12 8181 1 1 43 CYS N N -9.522 -6.784 -3.187 1.00 . A A . 43 CYS N 1 1 12 8182 1 1 43 CYS O O -8.291 -7.326 -5.602 1.00 . A A . 43 CYS O 1 1 12 8183 1 1 43 CYS OXT O -8.449 -5.246 -6.143 1.00 . A A . 43 CYS OXT 1 1 12 8184 1 1 43 CYS SG S -5.908 -5.739 -4.298 1.00 . A A . 43 CYS SG 1 1 13 8185 1 1 1 CYS C C 4.004 -8.141 0.231 1.00 . A A . 1 CYS C 1 1 13 8186 1 1 1 CYS CA C 3.916 -8.944 -1.069 1.00 . A A . 1 CYS CA 1 1 13 8187 1 1 1 CYS CB C 2.446 -9.203 -1.401 1.00 . A A . 1 CYS CB 1 1 13 8188 1 1 1 CYS H1 H 5.605 -10.078 -0.663 1.00 . A A . 1 CYS H1 1 1 13 8189 1 1 1 CYS H2 H 4.172 -10.768 -0.115 1.00 . A A . 1 CYS H2 1 1 13 8190 1 1 1 CYS H3 H 4.547 -10.798 -1.754 1.00 . A A . 1 CYS H3 1 1 13 8191 1 1 1 CYS HA H 4.386 -8.398 -1.887 1.00 . A A . 1 CYS HA 1 1 13 8192 1 1 1 CYS HB2 H 1.923 -8.264 -1.479 1.00 . A A . 1 CYS HB2 1 1 13 8193 1 1 1 CYS HB3 H 2.369 -9.738 -2.335 1.00 . A A . 1 CYS HB3 1 1 13 8194 1 1 1 CYS N N 4.613 -10.246 -0.887 1.00 . A A . 1 CYS N 1 1 13 8195 1 1 1 CYS O O 3.973 -8.696 1.310 1.00 . A A . 1 CYS O 1 1 13 8196 1 1 1 CYS SG S 1.716 -10.197 -0.079 1.00 . A A . 1 CYS SG 1 1 13 8197 1 1 2 GLY C C 2.798 -5.856 1.986 1.00 . A A . 2 GLY C 1 1 13 8198 1 1 2 GLY CA C 4.198 -6.035 1.394 1.00 . A A . 2 GLY CA 1 1 13 8199 1 1 2 GLY H H 4.142 -6.401 -0.731 1.00 . A A . 2 GLY H 1 1 13 8200 1 1 2 GLY HA2 H 4.831 -6.544 2.108 1.00 . A A . 2 GLY HA2 1 1 13 8201 1 1 2 GLY HA3 H 4.617 -5.066 1.168 1.00 . A A . 2 GLY HA3 1 1 13 8202 1 1 2 GLY N N 4.115 -6.843 0.146 1.00 . A A . 2 GLY N 1 1 13 8203 1 1 2 GLY O O 1.863 -5.503 1.296 1.00 . A A . 2 GLY O 1 1 13 8204 1 1 3 SER C C 1.376 -4.722 4.863 1.00 . A A . 3 SER C 1 1 13 8205 1 1 3 SER CA C 1.319 -5.923 3.915 1.00 . A A . 3 SER CA 1 1 13 8206 1 1 3 SER CB C 0.967 -7.183 4.704 1.00 . A A . 3 SER CB 1 1 13 8207 1 1 3 SER H H 3.424 -6.367 3.798 1.00 . A A . 3 SER H 1 1 13 8208 1 1 3 SER HA H 0.564 -5.746 3.163 1.00 . A A . 3 SER HA 1 1 13 8209 1 1 3 SER HB2 H -0.104 -7.265 4.792 1.00 . A A . 3 SER HB2 1 1 13 8210 1 1 3 SER HB3 H 1.350 -8.052 4.184 1.00 . A A . 3 SER HB3 1 1 13 8211 1 1 3 SER HG H 0.872 -7.386 6.636 1.00 . A A . 3 SER HG 1 1 13 8212 1 1 3 SER N N 2.652 -6.089 3.264 1.00 . A A . 3 SER N 1 1 13 8213 1 1 3 SER O O 2.214 -3.856 4.727 1.00 . A A . 3 SER O 1 1 13 8214 1 1 3 SER OG O 1.536 -7.100 6.003 1.00 . A A . 3 SER OG 1 1 13 8215 1 1 4 LYS C C 1.935 -3.094 7.065 1.00 . A A . 4 LYS C 1 1 13 8216 1 1 4 LYS CA C 0.494 -3.502 6.768 1.00 . A A . 4 LYS CA 1 1 13 8217 1 1 4 LYS CB C -0.178 -3.897 8.085 1.00 . A A . 4 LYS CB 1 1 13 8218 1 1 4 LYS CD C -0.019 -2.757 10.321 1.00 . A A . 4 LYS CD 1 1 13 8219 1 1 4 LYS CE C -0.539 -1.577 11.144 1.00 . A A . 4 LYS CE 1 1 13 8220 1 1 4 LYS CG C -0.529 -2.631 8.884 1.00 . A A . 4 LYS CG 1 1 13 8221 1 1 4 LYS H H -0.182 -5.366 5.917 1.00 . A A . 4 LYS H 1 1 13 8222 1 1 4 LYS HA H -0.031 -2.670 6.324 1.00 . A A . 4 LYS HA 1 1 13 8223 1 1 4 LYS HB2 H -1.080 -4.453 7.873 1.00 . A A . 4 LYS HB2 1 1 13 8224 1 1 4 LYS HB3 H 0.496 -4.513 8.661 1.00 . A A . 4 LYS HB3 1 1 13 8225 1 1 4 LYS HD2 H -0.372 -3.683 10.750 1.00 . A A . 4 LYS HD2 1 1 13 8226 1 1 4 LYS HD3 H 1.060 -2.745 10.323 1.00 . A A . 4 LYS HD3 1 1 13 8227 1 1 4 LYS HE2 H -0.362 -0.656 10.607 1.00 . A A . 4 LYS HE2 1 1 13 8228 1 1 4 LYS HE3 H -1.600 -1.697 11.310 1.00 . A A . 4 LYS HE3 1 1 13 8229 1 1 4 LYS HG2 H -0.072 -1.766 8.421 1.00 . A A . 4 LYS HG2 1 1 13 8230 1 1 4 LYS HG3 H -1.601 -2.500 8.899 1.00 . A A . 4 LYS HG3 1 1 13 8231 1 1 4 LYS HZ1 H 1.126 -1.913 12.344 1.00 . A A . 4 LYS HZ1 1 1 13 8232 1 1 4 LYS HZ2 H -0.354 -2.104 13.149 1.00 . A A . 4 LYS HZ2 1 1 13 8233 1 1 4 LYS HZ3 H 0.219 -0.546 12.785 1.00 . A A . 4 LYS HZ3 1 1 13 8234 1 1 4 LYS N N 0.490 -4.660 5.823 1.00 . A A . 4 LYS N 1 1 13 8235 1 1 4 LYS NZ N 0.165 -1.532 12.454 1.00 . A A . 4 LYS NZ 1 1 13 8236 1 1 4 LYS O O 2.721 -3.876 7.558 1.00 . A A . 4 LYS O 1 1 13 8237 1 1 5 ARG C C 4.622 -2.491 6.396 1.00 . A A . 5 ARG C 1 1 13 8238 1 1 5 ARG CA C 3.689 -1.449 7.001 1.00 . A A . 5 ARG CA 1 1 13 8239 1 1 5 ARG CB C 3.963 -1.340 8.512 1.00 . A A . 5 ARG CB 1 1 13 8240 1 1 5 ARG CD C 4.502 0.337 10.293 1.00 . A A . 5 ARG CD 1 1 13 8241 1 1 5 ARG CG C 3.684 0.089 9.017 1.00 . A A . 5 ARG CG 1 1 13 8242 1 1 5 ARG CZ C 4.730 2.144 11.895 1.00 . A A . 5 ARG CZ 1 1 13 8243 1 1 5 ARG H H 1.662 -1.268 6.334 1.00 . A A . 5 ARG H 1 1 13 8244 1 1 5 ARG HA H 3.860 -0.499 6.526 1.00 . A A . 5 ARG HA 1 1 13 8245 1 1 5 ARG HB2 H 3.319 -2.030 9.038 1.00 . A A . 5 ARG HB2 1 1 13 8246 1 1 5 ARG HB3 H 4.994 -1.593 8.709 1.00 . A A . 5 ARG HB3 1 1 13 8247 1 1 5 ARG HD2 H 4.449 -0.534 10.928 1.00 . A A . 5 ARG HD2 1 1 13 8248 1 1 5 ARG HD3 H 5.531 0.520 10.023 1.00 . A A . 5 ARG HD3 1 1 13 8249 1 1 5 ARG HE H 3.039 1.805 10.897 1.00 . A A . 5 ARG HE 1 1 13 8250 1 1 5 ARG HG2 H 3.973 0.805 8.261 1.00 . A A . 5 ARG HG2 1 1 13 8251 1 1 5 ARG HG3 H 2.634 0.197 9.237 1.00 . A A . 5 ARG HG3 1 1 13 8252 1 1 5 ARG HH11 H 6.350 1.042 11.489 1.00 . A A . 5 ARG HH11 1 1 13 8253 1 1 5 ARG HH12 H 6.560 2.270 12.690 1.00 . A A . 5 ARG HH12 1 1 13 8254 1 1 5 ARG HH21 H 3.294 3.405 12.496 1.00 . A A . 5 ARG HH21 1 1 13 8255 1 1 5 ARG HH22 H 4.835 3.602 13.263 1.00 . A A . 5 ARG HH22 1 1 13 8256 1 1 5 ARG N N 2.296 -1.881 6.752 1.00 . A A . 5 ARG N 1 1 13 8257 1 1 5 ARG NE N 3.969 1.520 11.031 1.00 . A A . 5 ARG NE 1 1 13 8258 1 1 5 ARG NH1 N 5.978 1.790 12.037 1.00 . A A . 5 ARG NH1 1 1 13 8259 1 1 5 ARG NH2 N 4.249 3.127 12.606 1.00 . A A . 5 ARG NH2 1 1 13 8260 1 1 5 ARG O O 5.036 -3.426 7.055 1.00 . A A . 5 ARG O 1 1 13 8261 1 1 6 ALA C C 6.258 -2.902 3.103 1.00 . A A . 6 ALA C 1 1 13 8262 1 1 6 ALA CA C 5.846 -3.355 4.508 1.00 . A A . 6 ALA CA 1 1 13 8263 1 1 6 ALA CB C 5.104 -4.689 4.407 1.00 . A A . 6 ALA CB 1 1 13 8264 1 1 6 ALA H H 4.586 -1.601 4.627 1.00 . A A . 6 ALA H 1 1 13 8265 1 1 6 ALA HA H 6.728 -3.484 5.118 1.00 . A A . 6 ALA HA 1 1 13 8266 1 1 6 ALA HB1 H 4.311 -4.600 3.684 1.00 . A A . 6 ALA HB1 1 1 13 8267 1 1 6 ALA HB2 H 4.686 -4.946 5.369 1.00 . A A . 6 ALA HB2 1 1 13 8268 1 1 6 ALA HB3 H 5.790 -5.462 4.096 1.00 . A A . 6 ALA HB3 1 1 13 8269 1 1 6 ALA N N 4.949 -2.349 5.146 1.00 . A A . 6 ALA N 1 1 13 8270 1 1 6 ALA O O 5.449 -2.499 2.292 1.00 . A A . 6 ALA O 1 1 13 8271 1 1 7 TRP C C 7.238 -3.114 0.359 1.00 . A A . 7 TRP C 1 1 13 8272 1 1 7 TRP CA C 8.094 -2.568 1.517 1.00 . A A . 7 TRP CA 1 1 13 8273 1 1 7 TRP CB C 9.512 -3.131 1.442 1.00 . A A . 7 TRP CB 1 1 13 8274 1 1 7 TRP CD1 C 10.754 -2.229 -0.555 1.00 . A A . 7 TRP CD1 1 1 13 8275 1 1 7 TRP CD2 C 9.776 -4.211 -0.962 1.00 . A A . 7 TRP CD2 1 1 13 8276 1 1 7 TRP CE2 C 10.437 -3.834 -2.151 1.00 . A A . 7 TRP CE2 1 1 13 8277 1 1 7 TRP CE3 C 9.073 -5.428 -0.947 1.00 . A A . 7 TRP CE3 1 1 13 8278 1 1 7 TRP CG C 9.994 -3.176 0.034 1.00 . A A . 7 TRP CG 1 1 13 8279 1 1 7 TRP CH2 C 9.704 -5.847 -3.260 1.00 . A A . 7 TRP CH2 1 1 13 8280 1 1 7 TRP CZ2 C 10.407 -4.636 -3.287 1.00 . A A . 7 TRP CZ2 1 1 13 8281 1 1 7 TRP CZ3 C 9.038 -6.241 -2.089 1.00 . A A . 7 TRP CZ3 1 1 13 8282 1 1 7 TRP H H 8.149 -3.302 3.524 1.00 . A A . 7 TRP H 1 1 13 8283 1 1 7 TRP HA H 8.141 -1.495 1.460 1.00 . A A . 7 TRP HA 1 1 13 8284 1 1 7 TRP HB2 H 10.174 -2.506 2.023 1.00 . A A . 7 TRP HB2 1 1 13 8285 1 1 7 TRP HB3 H 9.518 -4.131 1.854 1.00 . A A . 7 TRP HB3 1 1 13 8286 1 1 7 TRP HD1 H 11.095 -1.321 -0.083 1.00 . A A . 7 TRP HD1 1 1 13 8287 1 1 7 TRP HE1 H 11.556 -2.110 -2.499 1.00 . A A . 7 TRP HE1 1 1 13 8288 1 1 7 TRP HE3 H 8.558 -5.741 -0.050 1.00 . A A . 7 TRP HE3 1 1 13 8289 1 1 7 TRP HH2 H 9.674 -6.476 -4.137 1.00 . A A . 7 TRP HH2 1 1 13 8290 1 1 7 TRP HZ2 H 10.923 -4.327 -4.179 1.00 . A A . 7 TRP HZ2 1 1 13 8291 1 1 7 TRP HZ3 H 8.494 -7.175 -2.069 1.00 . A A . 7 TRP HZ3 1 1 13 8292 1 1 7 TRP N N 7.534 -2.973 2.835 1.00 . A A . 7 TRP N 1 1 13 8293 1 1 7 TRP NE1 N 11.021 -2.619 -1.854 1.00 . A A . 7 TRP NE1 1 1 13 8294 1 1 7 TRP O O 6.831 -4.258 0.358 1.00 . A A . 7 TRP O 1 1 13 8295 1 1 8 CYS C C 6.894 -2.344 -3.091 1.00 . A A . 8 CYS C 1 1 13 8296 1 1 8 CYS CA C 6.153 -2.726 -1.803 1.00 . A A . 8 CYS CA 1 1 13 8297 1 1 8 CYS CB C 4.796 -2.012 -1.767 1.00 . A A . 8 CYS CB 1 1 13 8298 1 1 8 CYS H H 7.314 -1.372 -0.589 1.00 . A A . 8 CYS H 1 1 13 8299 1 1 8 CYS HA H 5.998 -3.802 -1.774 1.00 . A A . 8 CYS HA 1 1 13 8300 1 1 8 CYS HB2 H 4.012 -2.739 -1.678 1.00 . A A . 8 CYS HB2 1 1 13 8301 1 1 8 CYS HB3 H 4.762 -1.341 -0.920 1.00 . A A . 8 CYS HB3 1 1 13 8302 1 1 8 CYS N N 6.970 -2.290 -0.625 1.00 . A A . 8 CYS N 1 1 13 8303 1 1 8 CYS O O 7.585 -1.348 -3.138 1.00 . A A . 8 CYS O 1 1 13 8304 1 1 8 CYS SG S 4.539 -1.071 -3.285 1.00 . A A . 8 CYS SG 1 1 13 8305 1 1 9 LYS C C 6.456 -1.944 -6.318 1.00 . A A . 9 LYS C 1 1 13 8306 1 1 9 LYS CA C 7.428 -2.739 -5.422 1.00 . A A . 9 LYS CA 1 1 13 8307 1 1 9 LYS CB C 7.896 -4.003 -6.160 1.00 . A A . 9 LYS CB 1 1 13 8308 1 1 9 LYS CD C 9.515 -4.876 -7.892 1.00 . A A . 9 LYS CD 1 1 13 8309 1 1 9 LYS CE C 10.463 -5.689 -6.998 1.00 . A A . 9 LYS CE 1 1 13 8310 1 1 9 LYS CG C 8.999 -3.625 -7.160 1.00 . A A . 9 LYS CG 1 1 13 8311 1 1 9 LYS H H 6.166 -3.898 -4.103 1.00 . A A . 9 LYS H 1 1 13 8312 1 1 9 LYS HA H 8.286 -2.120 -5.199 1.00 . A A . 9 LYS HA 1 1 13 8313 1 1 9 LYS HB2 H 8.287 -4.711 -5.442 1.00 . A A . 9 LYS HB2 1 1 13 8314 1 1 9 LYS HB3 H 7.067 -4.447 -6.687 1.00 . A A . 9 LYS HB3 1 1 13 8315 1 1 9 LYS HD2 H 8.673 -5.493 -8.174 1.00 . A A . 9 LYS HD2 1 1 13 8316 1 1 9 LYS HD3 H 10.043 -4.570 -8.783 1.00 . A A . 9 LYS HD3 1 1 13 8317 1 1 9 LYS HE2 H 10.592 -5.193 -6.053 1.00 . A A . 9 LYS HE2 1 1 13 8318 1 1 9 LYS HE3 H 10.050 -6.673 -6.832 1.00 . A A . 9 LYS HE3 1 1 13 8319 1 1 9 LYS HG2 H 8.601 -2.928 -7.881 1.00 . A A . 9 LYS HG2 1 1 13 8320 1 1 9 LYS HG3 H 9.817 -3.160 -6.630 1.00 . A A . 9 LYS HG3 1 1 13 8321 1 1 9 LYS HZ1 H 12.193 -6.754 -7.468 1.00 . A A . 9 LYS HZ1 1 1 13 8322 1 1 9 LYS HZ2 H 12.431 -5.081 -7.323 1.00 . A A . 9 LYS HZ2 1 1 13 8323 1 1 9 LYS HZ3 H 11.665 -5.713 -8.702 1.00 . A A . 9 LYS HZ3 1 1 13 8324 1 1 9 LYS N N 6.743 -3.105 -4.145 1.00 . A A . 9 LYS N 1 1 13 8325 1 1 9 LYS NZ N 11.788 -5.819 -7.674 1.00 . A A . 9 LYS NZ 1 1 13 8326 1 1 9 LYS O O 6.820 -0.951 -6.916 1.00 . A A . 9 LYS O 1 1 13 8327 1 1 10 GLU C C 2.895 -1.565 -6.482 1.00 . A A . 10 GLU C 1 1 13 8328 1 1 10 GLU CA C 4.205 -1.675 -7.259 1.00 . A A . 10 GLU CA 1 1 13 8329 1 1 10 GLU CB C 3.923 -2.489 -8.533 1.00 . A A . 10 GLU CB 1 1 13 8330 1 1 10 GLU CD C 4.853 -4.132 -10.161 1.00 . A A . 10 GLU CD 1 1 13 8331 1 1 10 GLU CG C 5.209 -3.115 -9.073 1.00 . A A . 10 GLU CG 1 1 13 8332 1 1 10 GLU H H 4.963 -3.177 -5.917 1.00 . A A . 10 GLU H 1 1 13 8333 1 1 10 GLU HA H 4.552 -0.685 -7.515 1.00 . A A . 10 GLU HA 1 1 13 8334 1 1 10 GLU HB2 H 3.214 -3.272 -8.307 1.00 . A A . 10 GLU HB2 1 1 13 8335 1 1 10 GLU HB3 H 3.503 -1.837 -9.285 1.00 . A A . 10 GLU HB3 1 1 13 8336 1 1 10 GLU HG2 H 5.839 -2.346 -9.491 1.00 . A A . 10 GLU HG2 1 1 13 8337 1 1 10 GLU HG3 H 5.731 -3.618 -8.276 1.00 . A A . 10 GLU HG3 1 1 13 8338 1 1 10 GLU N N 5.222 -2.381 -6.409 1.00 . A A . 10 GLU N 1 1 13 8339 1 1 10 GLU O O 2.686 -2.258 -5.508 1.00 . A A . 10 GLU O 1 1 13 8340 1 1 10 GLU OE1 O 3.688 -4.203 -10.520 1.00 . A A . 10 GLU OE1 1 1 13 8341 1 1 10 GLU OE2 O 5.748 -4.826 -10.613 1.00 . A A . 10 GLU OE2 1 1 13 8342 1 1 11 LYS C C 0.037 -1.973 -6.108 1.00 . A A . 11 LYS C 1 1 13 8343 1 1 11 LYS CA C 0.697 -0.597 -6.198 1.00 . A A . 11 LYS CA 1 1 13 8344 1 1 11 LYS CB C -0.223 0.400 -6.917 1.00 . A A . 11 LYS CB 1 1 13 8345 1 1 11 LYS CD C -2.031 2.026 -6.223 1.00 . A A . 11 LYS CD 1 1 13 8346 1 1 11 LYS CE C -2.568 2.279 -7.632 1.00 . A A . 11 LYS CE 1 1 13 8347 1 1 11 LYS CG C -1.515 0.585 -6.098 1.00 . A A . 11 LYS CG 1 1 13 8348 1 1 11 LYS H H 2.169 -0.184 -7.718 1.00 . A A . 11 LYS H 1 1 13 8349 1 1 11 LYS HA H 0.891 -0.239 -5.200 1.00 . A A . 11 LYS HA 1 1 13 8350 1 1 11 LYS HB2 H 0.284 1.348 -7.017 1.00 . A A . 11 LYS HB2 1 1 13 8351 1 1 11 LYS HB3 H -0.472 0.022 -7.898 1.00 . A A . 11 LYS HB3 1 1 13 8352 1 1 11 LYS HD2 H -2.824 2.181 -5.507 1.00 . A A . 11 LYS HD2 1 1 13 8353 1 1 11 LYS HD3 H -1.224 2.714 -6.019 1.00 . A A . 11 LYS HD3 1 1 13 8354 1 1 11 LYS HE2 H -1.748 2.301 -8.333 1.00 . A A . 11 LYS HE2 1 1 13 8355 1 1 11 LYS HE3 H -3.256 1.493 -7.905 1.00 . A A . 11 LYS HE3 1 1 13 8356 1 1 11 LYS HG2 H -2.271 -0.095 -6.467 1.00 . A A . 11 LYS HG2 1 1 13 8357 1 1 11 LYS HG3 H -1.318 0.369 -5.058 1.00 . A A . 11 LYS HG3 1 1 13 8358 1 1 11 LYS HZ1 H -3.558 3.848 -6.683 1.00 . A A . 11 LYS HZ1 1 1 13 8359 1 1 11 LYS HZ2 H -4.128 3.518 -8.246 1.00 . A A . 11 LYS HZ2 1 1 13 8360 1 1 11 LYS HZ3 H -2.645 4.322 -8.035 1.00 . A A . 11 LYS HZ3 1 1 13 8361 1 1 11 LYS N N 1.994 -0.723 -6.917 1.00 . A A . 11 LYS N 1 1 13 8362 1 1 11 LYS NZ N -3.278 3.590 -7.651 1.00 . A A . 11 LYS NZ 1 1 13 8363 1 1 11 LYS O O -0.670 -2.269 -5.165 1.00 . A A . 11 LYS O 1 1 13 8364 1 1 12 LYS C C 0.618 -5.137 -6.290 1.00 . A A . 12 LYS C 1 1 13 8365 1 1 12 LYS CA C -0.336 -4.180 -7.019 1.00 . A A . 12 LYS CA 1 1 13 8366 1 1 12 LYS CB C -0.591 -4.684 -8.446 1.00 . A A . 12 LYS CB 1 1 13 8367 1 1 12 LYS CD C -0.262 -4.216 -10.895 1.00 . A A . 12 LYS CD 1 1 13 8368 1 1 12 LYS CE C 0.798 -5.124 -11.525 1.00 . A A . 12 LYS CE 1 1 13 8369 1 1 12 LYS CG C 0.155 -3.816 -9.469 1.00 . A A . 12 LYS CG 1 1 13 8370 1 1 12 LYS H H 0.844 -2.583 -7.821 1.00 . A A . 12 LYS H 1 1 13 8371 1 1 12 LYS HA H -1.273 -4.139 -6.485 1.00 . A A . 12 LYS HA 1 1 13 8372 1 1 12 LYS HB2 H -0.251 -5.699 -8.527 1.00 . A A . 12 LYS HB2 1 1 13 8373 1 1 12 LYS HB3 H -1.648 -4.644 -8.652 1.00 . A A . 12 LYS HB3 1 1 13 8374 1 1 12 LYS HD2 H -1.208 -4.738 -10.867 1.00 . A A . 12 LYS HD2 1 1 13 8375 1 1 12 LYS HD3 H -0.368 -3.326 -11.498 1.00 . A A . 12 LYS HD3 1 1 13 8376 1 1 12 LYS HE2 H 0.372 -5.641 -12.370 1.00 . A A . 12 LYS HE2 1 1 13 8377 1 1 12 LYS HE3 H 1.634 -4.525 -11.856 1.00 . A A . 12 LYS HE3 1 1 13 8378 1 1 12 LYS HG2 H -0.090 -2.777 -9.304 1.00 . A A . 12 LYS HG2 1 1 13 8379 1 1 12 LYS HG3 H 1.219 -3.957 -9.351 1.00 . A A . 12 LYS HG3 1 1 13 8380 1 1 12 LYS HZ1 H 0.457 -6.485 -9.986 1.00 . A A . 12 LYS HZ1 1 1 13 8381 1 1 12 LYS HZ2 H 1.938 -5.666 -9.867 1.00 . A A . 12 LYS HZ2 1 1 13 8382 1 1 12 LYS HZ3 H 1.744 -6.907 -11.012 1.00 . A A . 12 LYS HZ3 1 1 13 8383 1 1 12 LYS N N 0.267 -2.826 -7.070 1.00 . A A . 12 LYS N 1 1 13 8384 1 1 12 LYS NZ N 1.269 -6.121 -10.522 1.00 . A A . 12 LYS NZ 1 1 13 8385 1 1 12 LYS O O 0.272 -6.265 -5.999 1.00 . A A . 12 LYS O 1 1 13 8386 1 1 13 ASP C C 2.451 -5.666 -3.794 1.00 . A A . 13 ASP C 1 1 13 8387 1 1 13 ASP CA C 2.780 -5.607 -5.289 1.00 . A A . 13 ASP CA 1 1 13 8388 1 1 13 ASP CB C 4.215 -5.110 -5.470 1.00 . A A . 13 ASP CB 1 1 13 8389 1 1 13 ASP CG C 5.188 -6.274 -5.263 1.00 . A A . 13 ASP CG 1 1 13 8390 1 1 13 ASP H H 2.087 -3.793 -6.237 1.00 . A A . 13 ASP H 1 1 13 8391 1 1 13 ASP HA H 2.694 -6.600 -5.706 1.00 . A A . 13 ASP HA 1 1 13 8392 1 1 13 ASP HB2 H 4.336 -4.715 -6.464 1.00 . A A . 13 ASP HB2 1 1 13 8393 1 1 13 ASP HB3 H 4.424 -4.340 -4.743 1.00 . A A . 13 ASP HB3 1 1 13 8394 1 1 13 ASP N N 1.818 -4.704 -5.993 1.00 . A A . 13 ASP N 1 1 13 8395 1 1 13 ASP O O 3.070 -6.403 -3.051 1.00 . A A . 13 ASP O 1 1 13 8396 1 1 13 ASP OD1 O 5.107 -7.228 -6.020 1.00 . A A . 13 ASP OD1 1 1 13 8397 1 1 13 ASP OD2 O 5.996 -6.191 -4.353 1.00 . A A . 13 ASP OD2 1 1 13 8398 1 1 14 CYS C C 0.161 -6.113 -1.687 1.00 . A A . 14 CYS C 1 1 13 8399 1 1 14 CYS CA C 1.143 -4.965 -1.896 1.00 . A A . 14 CYS CA 1 1 13 8400 1 1 14 CYS CB C 0.475 -3.653 -1.481 1.00 . A A . 14 CYS CB 1 1 13 8401 1 1 14 CYS H H 0.981 -4.324 -3.924 1.00 . A A . 14 CYS H 1 1 13 8402 1 1 14 CYS HA H 2.033 -5.127 -1.308 1.00 . A A . 14 CYS HA 1 1 13 8403 1 1 14 CYS HB2 H -0.131 -3.289 -2.298 1.00 . A A . 14 CYS HB2 1 1 13 8404 1 1 14 CYS HB3 H -0.148 -3.826 -0.635 1.00 . A A . 14 CYS HB3 1 1 13 8405 1 1 14 CYS N N 1.484 -4.913 -3.333 1.00 . A A . 14 CYS N 1 1 13 8406 1 1 14 CYS O O -0.704 -6.357 -2.505 1.00 . A A . 14 CYS O 1 1 13 8407 1 1 14 CYS SG S 1.725 -2.410 -1.076 1.00 . A A . 14 CYS SG 1 1 13 8408 1 1 15 CYS C C -2.056 -7.521 -0.572 1.00 . A A . 15 CYS C 1 1 13 8409 1 1 15 CYS CA C -0.614 -7.965 -0.370 1.00 . A A . 15 CYS CA 1 1 13 8410 1 1 15 CYS CB C -0.430 -8.424 1.067 1.00 . A A . 15 CYS CB 1 1 13 8411 1 1 15 CYS H H 0.995 -6.640 0.037 1.00 . A A . 15 CYS H 1 1 13 8412 1 1 15 CYS HA H -0.380 -8.774 -1.044 1.00 . A A . 15 CYS HA 1 1 13 8413 1 1 15 CYS HB2 H -0.728 -7.638 1.741 1.00 . A A . 15 CYS HB2 1 1 13 8414 1 1 15 CYS HB3 H -1.036 -9.282 1.232 1.00 . A A . 15 CYS HB3 1 1 13 8415 1 1 15 CYS N N 0.292 -6.832 -0.611 1.00 . A A . 15 CYS N 1 1 13 8416 1 1 15 CYS O O -2.429 -6.408 -0.255 1.00 . A A . 15 CYS O 1 1 13 8417 1 1 15 CYS SG S 1.300 -8.845 1.360 1.00 . A A . 15 CYS SG 1 1 13 8418 1 1 16 CYS C C -4.826 -7.391 0.060 1.00 . A A . 16 CYS C 1 1 13 8419 1 1 16 CYS CA C -4.302 -8.018 -1.289 1.00 . A A . 16 CYS CA 1 1 13 8420 1 1 16 CYS CB C -5.114 -9.275 -1.614 1.00 . A A . 16 CYS CB 1 1 13 8421 1 1 16 CYS H H -2.559 -9.283 -1.330 1.00 . A A . 16 CYS H 1 1 13 8422 1 1 16 CYS HA H -4.383 -7.306 -2.098 1.00 . A A . 16 CYS HA 1 1 13 8423 1 1 16 CYS HB2 H -4.442 -10.103 -1.780 1.00 . A A . 16 CYS HB2 1 1 13 8424 1 1 16 CYS HB3 H -5.772 -9.511 -0.789 1.00 . A A . 16 CYS HB3 1 1 13 8425 1 1 16 CYS N N -2.878 -8.387 -1.086 1.00 . A A . 16 CYS N 1 1 13 8426 1 1 16 CYS O O -4.567 -7.881 1.086 1.00 . A A . 16 CYS O 1 1 13 8427 1 1 16 CYS SG S -6.097 -8.993 -3.103 1.00 . A A . 16 CYS SG 1 1 13 8428 1 1 17 GLY C C -5.145 -4.530 1.572 1.00 . A A . 17 GLY C 1 1 13 8429 1 1 17 GLY CA C -6.080 -5.666 1.148 1.00 . A A . 17 GLY CA 1 1 13 8430 1 1 17 GLY H H -5.750 -5.929 -0.967 1.00 . A A . 17 GLY H 1 1 13 8431 1 1 17 GLY HA2 H -7.068 -5.271 0.961 1.00 . A A . 17 GLY HA2 1 1 13 8432 1 1 17 GLY HA3 H -6.133 -6.395 1.942 1.00 . A A . 17 GLY HA3 1 1 13 8433 1 1 17 GLY N N -5.554 -6.314 -0.088 1.00 . A A . 17 GLY N 1 1 13 8434 1 1 17 GLY O O -5.388 -3.857 2.553 1.00 . A A . 17 GLY O 1 1 13 8435 1 1 18 TYR C C -2.659 -2.447 -0.040 1.00 . A A . 18 TYR C 1 1 13 8436 1 1 18 TYR CA C -3.126 -3.221 1.242 1.00 . A A . 18 TYR CA 1 1 13 8437 1 1 18 TYR CB C -1.917 -3.840 1.940 1.00 . A A . 18 TYR CB 1 1 13 8438 1 1 18 TYR CD1 C -2.688 -6.002 2.987 1.00 . A A . 18 TYR CD1 1 1 13 8439 1 1 18 TYR CD2 C -2.464 -4.041 4.396 1.00 . A A . 18 TYR CD2 1 1 13 8440 1 1 18 TYR CE1 C -3.098 -6.753 4.094 1.00 . A A . 18 TYR CE1 1 1 13 8441 1 1 18 TYR CE2 C -2.872 -4.794 5.504 1.00 . A A . 18 TYR CE2 1 1 13 8442 1 1 18 TYR CG C -2.370 -4.646 3.136 1.00 . A A . 18 TYR CG 1 1 13 8443 1 1 18 TYR CZ C -3.189 -6.150 5.353 1.00 . A A . 18 TYR CZ 1 1 13 8444 1 1 18 TYR H H -3.875 -4.897 0.027 1.00 . A A . 18 TYR H 1 1 13 8445 1 1 18 TYR HA H -3.619 -2.541 1.919 1.00 . A A . 18 TYR HA 1 1 13 8446 1 1 18 TYR HB2 H -1.388 -4.481 1.251 1.00 . A A . 18 TYR HB2 1 1 13 8447 1 1 18 TYR HB3 H -1.263 -3.052 2.273 1.00 . A A . 18 TYR HB3 1 1 13 8448 1 1 18 TYR HD1 H -2.619 -6.468 2.018 1.00 . A A . 18 TYR HD1 1 1 13 8449 1 1 18 TYR HD2 H -2.219 -2.996 4.513 1.00 . A A . 18 TYR HD2 1 1 13 8450 1 1 18 TYR HE1 H -3.342 -7.799 3.977 1.00 . A A . 18 TYR HE1 1 1 13 8451 1 1 18 TYR HE2 H -2.944 -4.329 6.476 1.00 . A A . 18 TYR HE2 1 1 13 8452 1 1 18 TYR HH H -3.412 -7.817 6.254 1.00 . A A . 18 TYR HH 1 1 13 8453 1 1 18 TYR N N -4.069 -4.316 0.854 1.00 . A A . 18 TYR N 1 1 13 8454 1 1 18 TYR O O -2.467 -3.014 -1.061 1.00 . A A . 18 TYR O 1 1 13 8455 1 1 18 TYR OH O -3.589 -6.894 6.445 1.00 . A A . 18 TYR OH 1 1 13 8456 1 1 19 ASN C C -0.506 -0.060 -0.864 1.00 . A A . 19 ASN C 1 1 13 8457 1 1 19 ASN CA C -1.990 -0.339 -1.049 1.00 . A A . 19 ASN CA 1 1 13 8458 1 1 19 ASN CB C -2.786 0.971 -1.127 1.00 . A A . 19 ASN CB 1 1 13 8459 1 1 19 ASN CG C -2.128 2.030 -0.234 1.00 . A A . 19 ASN CG 1 1 13 8460 1 1 19 ASN H H -2.611 -0.719 0.985 1.00 . A A . 19 ASN H 1 1 13 8461 1 1 19 ASN HA H -2.122 -0.899 -1.963 1.00 . A A . 19 ASN HA 1 1 13 8462 1 1 19 ASN HB2 H -2.800 1.323 -2.149 1.00 . A A . 19 ASN HB2 1 1 13 8463 1 1 19 ASN HB3 H -3.795 0.797 -0.790 1.00 . A A . 19 ASN HB3 1 1 13 8464 1 1 19 ASN HD21 H -2.001 3.382 -1.683 1.00 . A A . 19 ASN HD21 1 1 13 8465 1 1 19 ASN HD22 H -1.390 3.874 -0.176 1.00 . A A . 19 ASN HD22 1 1 13 8466 1 1 19 ASN N N -2.461 -1.153 0.119 1.00 . A A . 19 ASN N 1 1 13 8467 1 1 19 ASN ND2 N -1.814 3.193 -0.740 1.00 . A A . 19 ASN ND2 1 1 13 8468 1 1 19 ASN O O 0.068 -0.283 0.162 1.00 . A A . 19 ASN O 1 1 13 8469 1 1 19 ASN OD1 O -1.883 1.792 0.931 1.00 . A A . 19 ASN OD1 1 1 13 8470 1 1 20 CYS C C 1.682 2.414 -1.275 1.00 . A A . 20 CYS C 1 1 13 8471 1 1 20 CYS CA C 1.544 0.954 -1.726 1.00 . A A . 20 CYS CA 1 1 13 8472 1 1 20 CYS CB C 2.179 0.783 -3.105 1.00 . A A . 20 CYS CB 1 1 13 8473 1 1 20 CYS H H -0.360 0.818 -2.668 1.00 . A A . 20 CYS H 1 1 13 8474 1 1 20 CYS HA H 2.035 0.305 -1.016 1.00 . A A . 20 CYS HA 1 1 13 8475 1 1 20 CYS HB2 H 1.505 1.135 -3.855 1.00 . A A . 20 CYS HB2 1 1 13 8476 1 1 20 CYS HB3 H 3.077 1.347 -3.159 1.00 . A A . 20 CYS HB3 1 1 13 8477 1 1 20 CYS N N 0.114 0.595 -1.846 1.00 . A A . 20 CYS N 1 1 13 8478 1 1 20 CYS O O 1.118 3.312 -1.869 1.00 . A A . 20 CYS O 1 1 13 8479 1 1 20 CYS SG S 2.533 -0.955 -3.410 1.00 . A A . 20 CYS SG 1 1 13 8480 1 1 21 VAL C C 4.162 4.334 0.187 1.00 . A A . 21 VAL C 1 1 13 8481 1 1 21 VAL CA C 2.660 4.060 0.234 1.00 . A A . 21 VAL CA 1 1 13 8482 1 1 21 VAL CB C 2.122 4.211 1.678 1.00 . A A . 21 VAL CB 1 1 13 8483 1 1 21 VAL CG1 C 2.915 5.275 2.473 1.00 . A A . 21 VAL CG1 1 1 13 8484 1 1 21 VAL CG2 C 0.640 4.613 1.634 1.00 . A A . 21 VAL CG2 1 1 13 8485 1 1 21 VAL H H 2.912 1.917 0.204 1.00 . A A . 21 VAL H 1 1 13 8486 1 1 21 VAL HA H 2.153 4.751 -0.424 1.00 . A A . 21 VAL HA 1 1 13 8487 1 1 21 VAL HB H 2.211 3.263 2.182 1.00 . A A . 21 VAL HB 1 1 13 8488 1 1 21 VAL HG11 H 3.705 5.688 1.865 1.00 . A A . 21 VAL HG11 1 1 13 8489 1 1 21 VAL HG12 H 3.346 4.819 3.354 1.00 . A A . 21 VAL HG12 1 1 13 8490 1 1 21 VAL HG13 H 2.250 6.071 2.777 1.00 . A A . 21 VAL HG13 1 1 13 8491 1 1 21 VAL HG21 H 0.032 3.729 1.505 1.00 . A A . 21 VAL HG21 1 1 13 8492 1 1 21 VAL HG22 H 0.468 5.290 0.811 1.00 . A A . 21 VAL HG22 1 1 13 8493 1 1 21 VAL HG23 H 0.375 5.101 2.558 1.00 . A A . 21 VAL HG23 1 1 13 8494 1 1 21 VAL N N 2.453 2.658 -0.244 1.00 . A A . 21 VAL N 1 1 13 8495 1 1 21 VAL O O 4.943 3.655 0.814 1.00 . A A . 21 VAL O 1 1 13 8496 1 1 22 TYR C C 6.468 6.372 0.587 1.00 . A A . 22 TYR C 1 1 13 8497 1 1 22 TYR CA C 6.023 5.607 -0.665 1.00 . A A . 22 TYR CA 1 1 13 8498 1 1 22 TYR CB C 6.263 6.460 -1.916 1.00 . A A . 22 TYR CB 1 1 13 8499 1 1 22 TYR CD1 C 8.050 5.091 -3.037 1.00 . A A . 22 TYR CD1 1 1 13 8500 1 1 22 TYR CD2 C 8.626 7.295 -2.211 1.00 . A A . 22 TYR CD2 1 1 13 8501 1 1 22 TYR CE1 C 9.361 4.916 -3.490 1.00 . A A . 22 TYR CE1 1 1 13 8502 1 1 22 TYR CE2 C 9.938 7.121 -2.667 1.00 . A A . 22 TYR CE2 1 1 13 8503 1 1 22 TYR CG C 7.682 6.280 -2.397 1.00 . A A . 22 TYR CG 1 1 13 8504 1 1 22 TYR CZ C 10.304 5.930 -3.305 1.00 . A A . 22 TYR CZ 1 1 13 8505 1 1 22 TYR H H 3.889 5.882 -1.089 1.00 . A A . 22 TYR H 1 1 13 8506 1 1 22 TYR HA H 6.576 4.684 -0.744 1.00 . A A . 22 TYR HA 1 1 13 8507 1 1 22 TYR HB2 H 5.580 6.153 -2.694 1.00 . A A . 22 TYR HB2 1 1 13 8508 1 1 22 TYR HB3 H 6.093 7.500 -1.680 1.00 . A A . 22 TYR HB3 1 1 13 8509 1 1 22 TYR HD1 H 7.321 4.305 -3.178 1.00 . A A . 22 TYR HD1 1 1 13 8510 1 1 22 TYR HD2 H 8.341 8.215 -1.718 1.00 . A A . 22 TYR HD2 1 1 13 8511 1 1 22 TYR HE1 H 9.644 3.998 -3.984 1.00 . A A . 22 TYR HE1 1 1 13 8512 1 1 22 TYR HE2 H 10.667 7.905 -2.524 1.00 . A A . 22 TYR HE2 1 1 13 8513 1 1 22 TYR HH H 11.556 5.507 -4.681 1.00 . A A . 22 TYR HH 1 1 13 8514 1 1 22 TYR N N 4.570 5.314 -0.565 1.00 . A A . 22 TYR N 1 1 13 8515 1 1 22 TYR O O 5.976 7.443 0.876 1.00 . A A . 22 TYR O 1 1 13 8516 1 1 22 TYR OH O 11.595 5.756 -3.754 1.00 . A A . 22 TYR OH 1 1 13 8517 1 1 23 ALA C C 9.156 7.299 2.256 1.00 . A A . 23 ALA C 1 1 13 8518 1 1 23 ALA CA C 7.871 6.528 2.563 1.00 . A A . 23 ALA CA 1 1 13 8519 1 1 23 ALA CB C 8.157 5.501 3.663 1.00 . A A . 23 ALA CB 1 1 13 8520 1 1 23 ALA H H 7.782 4.964 1.080 1.00 . A A . 23 ALA H 1 1 13 8521 1 1 23 ALA HA H 7.113 7.217 2.904 1.00 . A A . 23 ALA HA 1 1 13 8522 1 1 23 ALA HB1 H 8.528 4.592 3.218 1.00 . A A . 23 ALA HB1 1 1 13 8523 1 1 23 ALA HB2 H 7.247 5.293 4.207 1.00 . A A . 23 ALA HB2 1 1 13 8524 1 1 23 ALA HB3 H 8.899 5.900 4.343 1.00 . A A . 23 ALA HB3 1 1 13 8525 1 1 23 ALA N N 7.397 5.828 1.331 1.00 . A A . 23 ALA N 1 1 13 8526 1 1 23 ALA O O 10.205 6.719 2.062 1.00 . A A . 23 ALA O 1 1 13 8527 1 1 24 TRP C C 11.402 9.038 2.947 1.00 . A A . 24 TRP C 1 1 13 8528 1 1 24 TRP CA C 10.315 9.393 1.931 1.00 . A A . 24 TRP CA 1 1 13 8529 1 1 24 TRP CB C 9.999 10.891 2.021 1.00 . A A . 24 TRP CB 1 1 13 8530 1 1 24 TRP CD1 C 9.803 11.201 4.533 1.00 . A A . 24 TRP CD1 1 1 13 8531 1 1 24 TRP CD2 C 7.866 11.579 3.461 1.00 . A A . 24 TRP CD2 1 1 13 8532 1 1 24 TRP CE2 C 7.617 11.790 4.839 1.00 . A A . 24 TRP CE2 1 1 13 8533 1 1 24 TRP CE3 C 6.799 11.756 2.561 1.00 . A A . 24 TRP CE3 1 1 13 8534 1 1 24 TRP CG C 9.262 11.202 3.292 1.00 . A A . 24 TRP CG 1 1 13 8535 1 1 24 TRP CH2 C 5.310 12.336 4.398 1.00 . A A . 24 TRP CH2 1 1 13 8536 1 1 24 TRP CZ2 C 6.357 12.163 5.306 1.00 . A A . 24 TRP CZ2 1 1 13 8537 1 1 24 TRP CZ3 C 5.531 12.133 3.029 1.00 . A A . 24 TRP CZ3 1 1 13 8538 1 1 24 TRP H H 8.235 9.053 2.382 1.00 . A A . 24 TRP H 1 1 13 8539 1 1 24 TRP HA H 10.666 9.159 0.937 1.00 . A A . 24 TRP HA 1 1 13 8540 1 1 24 TRP HB2 H 10.923 11.450 1.998 1.00 . A A . 24 TRP HB2 1 1 13 8541 1 1 24 TRP HB3 H 9.391 11.176 1.176 1.00 . A A . 24 TRP HB3 1 1 13 8542 1 1 24 TRP HD1 H 10.827 10.966 4.775 1.00 . A A . 24 TRP HD1 1 1 13 8543 1 1 24 TRP HE1 H 8.962 11.615 6.419 1.00 . A A . 24 TRP HE1 1 1 13 8544 1 1 24 TRP HE3 H 6.959 11.603 1.505 1.00 . A A . 24 TRP HE3 1 1 13 8545 1 1 24 TRP HH2 H 4.331 12.626 4.752 1.00 . A A . 24 TRP HH2 1 1 13 8546 1 1 24 TRP HZ2 H 6.193 12.318 6.363 1.00 . A A . 24 TRP HZ2 1 1 13 8547 1 1 24 TRP HZ3 H 4.719 12.267 2.330 1.00 . A A . 24 TRP HZ3 1 1 13 8548 1 1 24 TRP N N 9.088 8.600 2.216 1.00 . A A . 24 TRP N 1 1 13 8549 1 1 24 TRP NE1 N 8.828 11.545 5.450 1.00 . A A . 24 TRP NE1 1 1 13 8550 1 1 24 TRP O O 11.218 9.195 4.129 1.00 . A A . 24 TRP O 1 1 13 8551 1 1 25 TYR C C 14.601 7.234 2.758 1.00 . A A . 25 TYR C 1 1 13 8552 1 1 25 TYR CA C 13.656 8.230 3.439 1.00 . A A . 25 TYR CA 1 1 13 8553 1 1 25 TYR CB C 13.118 7.611 4.752 1.00 . A A . 25 TYR CB 1 1 13 8554 1 1 25 TYR CD1 C 14.003 9.348 6.355 1.00 . A A . 25 TYR CD1 1 1 13 8555 1 1 25 TYR CD2 C 14.821 7.073 6.535 1.00 . A A . 25 TYR CD2 1 1 13 8556 1 1 25 TYR CE1 C 14.819 9.728 7.428 1.00 . A A . 25 TYR CE1 1 1 13 8557 1 1 25 TYR CE2 C 15.635 7.452 7.609 1.00 . A A . 25 TYR CE2 1 1 13 8558 1 1 25 TYR CG C 14.005 8.021 5.908 1.00 . A A . 25 TYR CG 1 1 13 8559 1 1 25 TYR CZ C 15.634 8.779 8.057 1.00 . A A . 25 TYR CZ 1 1 13 8560 1 1 25 TYR H H 12.670 8.444 1.484 1.00 . A A . 25 TYR H 1 1 13 8561 1 1 25 TYR HA H 14.206 9.132 3.669 1.00 . A A . 25 TYR HA 1 1 13 8562 1 1 25 TYR HB2 H 12.118 7.947 4.944 1.00 . A A . 25 TYR HB2 1 1 13 8563 1 1 25 TYR HB3 H 13.119 6.535 4.676 1.00 . A A . 25 TYR HB3 1 1 13 8564 1 1 25 TYR HD1 H 13.374 10.081 5.870 1.00 . A A . 25 TYR HD1 1 1 13 8565 1 1 25 TYR HD2 H 14.824 6.050 6.191 1.00 . A A . 25 TYR HD2 1 1 13 8566 1 1 25 TYR HE1 H 14.818 10.752 7.773 1.00 . A A . 25 TYR HE1 1 1 13 8567 1 1 25 TYR HE2 H 16.266 6.720 8.092 1.00 . A A . 25 TYR HE2 1 1 13 8568 1 1 25 TYR HH H 16.222 8.579 9.861 1.00 . A A . 25 TYR HH 1 1 13 8569 1 1 25 TYR N N 12.539 8.574 2.497 1.00 . A A . 25 TYR N 1 1 13 8570 1 1 25 TYR O O 15.647 7.599 2.262 1.00 . A A . 25 TYR O 1 1 13 8571 1 1 25 TYR OH O 16.434 9.150 9.116 1.00 . A A . 25 TYR OH 1 1 13 8572 1 1 26 ASN C C 14.435 4.447 0.805 1.00 . A A . 26 ASN C 1 1 13 8573 1 1 26 ASN CA C 15.098 4.947 2.088 1.00 . A A . 26 ASN CA 1 1 13 8574 1 1 26 ASN CB C 15.323 3.785 3.059 1.00 . A A . 26 ASN CB 1 1 13 8575 1 1 26 ASN CG C 14.115 3.650 3.977 1.00 . A A . 26 ASN CG 1 1 13 8576 1 1 26 ASN H H 13.384 5.711 3.137 1.00 . A A . 26 ASN H 1 1 13 8577 1 1 26 ASN HA H 16.050 5.386 1.846 1.00 . A A . 26 ASN HA 1 1 13 8578 1 1 26 ASN HB2 H 15.459 2.869 2.502 1.00 . A A . 26 ASN HB2 1 1 13 8579 1 1 26 ASN HB3 H 16.203 3.978 3.655 1.00 . A A . 26 ASN HB3 1 1 13 8580 1 1 26 ASN HD21 H 15.219 3.514 5.617 1.00 . A A . 26 ASN HD21 1 1 13 8581 1 1 26 ASN HD22 H 13.543 3.452 5.854 1.00 . A A . 26 ASN HD22 1 1 13 8582 1 1 26 ASN N N 14.235 5.978 2.732 1.00 . A A . 26 ASN N 1 1 13 8583 1 1 26 ASN ND2 N 14.307 3.525 5.256 1.00 . A A . 26 ASN ND2 1 1 13 8584 1 1 26 ASN O O 14.707 3.359 0.338 1.00 . A A . 26 ASN O 1 1 13 8585 1 1 26 ASN OD1 O 12.986 3.672 3.528 1.00 . A A . 26 ASN OD1 1 1 13 8586 1 1 27 GLN C C 12.206 3.434 -0.759 1.00 . A A . 27 GLN C 1 1 13 8587 1 1 27 GLN CA C 12.871 4.792 -1.013 1.00 . A A . 27 GLN CA 1 1 13 8588 1 1 27 GLN CB C 13.903 4.663 -2.141 1.00 . A A . 27 GLN CB 1 1 13 8589 1 1 27 GLN CD C 13.679 7.062 -2.849 1.00 . A A . 27 GLN CD 1 1 13 8590 1 1 27 GLN CG C 14.639 5.996 -2.315 1.00 . A A . 27 GLN CG 1 1 13 8591 1 1 27 GLN H H 13.347 6.099 0.631 1.00 . A A . 27 GLN H 1 1 13 8592 1 1 27 GLN HA H 12.121 5.517 -1.287 1.00 . A A . 27 GLN HA 1 1 13 8593 1 1 27 GLN HB2 H 14.612 3.887 -1.895 1.00 . A A . 27 GLN HB2 1 1 13 8594 1 1 27 GLN HB3 H 13.398 4.411 -3.062 1.00 . A A . 27 GLN HB3 1 1 13 8595 1 1 27 GLN HE21 H 13.417 7.923 -1.078 1.00 . A A . 27 GLN HE21 1 1 13 8596 1 1 27 GLN HE22 H 12.564 8.633 -2.363 1.00 . A A . 27 GLN HE22 1 1 13 8597 1 1 27 GLN HG2 H 15.032 6.315 -1.360 1.00 . A A . 27 GLN HG2 1 1 13 8598 1 1 27 GLN HG3 H 15.453 5.867 -3.013 1.00 . A A . 27 GLN HG3 1 1 13 8599 1 1 27 GLN N N 13.558 5.229 0.235 1.00 . A A . 27 GLN N 1 1 13 8600 1 1 27 GLN NE2 N 13.179 7.945 -2.028 1.00 . A A . 27 GLN NE2 1 1 13 8601 1 1 27 GLN O O 12.332 2.510 -1.536 1.00 . A A . 27 GLN O 1 1 13 8602 1 1 27 GLN OE1 O 13.379 7.091 -4.026 1.00 . A A . 27 GLN OE1 1 1 13 8603 1 1 28 GLN C C 9.304 2.258 0.690 1.00 . A A . 28 GLN C 1 1 13 8604 1 1 28 GLN CA C 10.820 2.033 0.683 1.00 . A A . 28 GLN CA 1 1 13 8605 1 1 28 GLN CB C 11.272 1.593 2.080 1.00 . A A . 28 GLN CB 1 1 13 8606 1 1 28 GLN CD C 10.300 0.089 3.836 1.00 . A A . 28 GLN CD 1 1 13 8607 1 1 28 GLN CG C 10.771 0.171 2.381 1.00 . A A . 28 GLN CG 1 1 13 8608 1 1 28 GLN H H 11.425 4.082 0.948 1.00 . A A . 28 GLN H 1 1 13 8609 1 1 28 GLN HA H 11.074 1.271 -0.040 1.00 . A A . 28 GLN HA 1 1 13 8610 1 1 28 GLN HB2 H 12.351 1.612 2.128 1.00 . A A . 28 GLN HB2 1 1 13 8611 1 1 28 GLN HB3 H 10.872 2.279 2.814 1.00 . A A . 28 GLN HB3 1 1 13 8612 1 1 28 GLN HE21 H 11.398 -1.510 4.261 1.00 . A A . 28 GLN HE21 1 1 13 8613 1 1 28 GLN HE22 H 10.457 -0.916 5.543 1.00 . A A . 28 GLN HE22 1 1 13 8614 1 1 28 GLN HG2 H 9.951 -0.073 1.721 1.00 . A A . 28 GLN HG2 1 1 13 8615 1 1 28 GLN HG3 H 11.577 -0.533 2.228 1.00 . A A . 28 GLN HG3 1 1 13 8616 1 1 28 GLN N N 11.502 3.317 0.339 1.00 . A A . 28 GLN N 1 1 13 8617 1 1 28 GLN NE2 N 10.757 -0.857 4.611 1.00 . A A . 28 GLN NE2 1 1 13 8618 1 1 28 GLN O O 8.817 3.205 1.276 1.00 . A A . 28 GLN O 1 1 13 8619 1 1 28 GLN OE1 O 9.503 0.896 4.273 1.00 . A A . 28 GLN OE1 1 1 13 8620 1 1 29 SER C C 6.423 0.768 1.136 1.00 . A A . 29 SER C 1 1 13 8621 1 1 29 SER CA C 7.066 1.591 0.021 1.00 . A A . 29 SER CA 1 1 13 8622 1 1 29 SER CB C 6.511 1.134 -1.329 1.00 . A A . 29 SER CB 1 1 13 8623 1 1 29 SER H H 8.958 0.648 -0.428 1.00 . A A . 29 SER H 1 1 13 8624 1 1 29 SER HA H 6.835 2.633 0.167 1.00 . A A . 29 SER HA 1 1 13 8625 1 1 29 SER HB2 H 6.859 0.140 -1.545 1.00 . A A . 29 SER HB2 1 1 13 8626 1 1 29 SER HB3 H 5.430 1.133 -1.289 1.00 . A A . 29 SER HB3 1 1 13 8627 1 1 29 SER HG H 6.541 1.759 -3.171 1.00 . A A . 29 SER HG 1 1 13 8628 1 1 29 SER N N 8.550 1.405 0.044 1.00 . A A . 29 SER N 1 1 13 8629 1 1 29 SER O O 6.579 -0.428 1.207 1.00 . A A . 29 SER O 1 1 13 8630 1 1 29 SER OG O 6.960 2.018 -2.346 1.00 . A A . 29 SER OG 1 1 13 8631 1 1 30 SER C C 3.591 0.368 2.740 1.00 . A A . 30 SER C 1 1 13 8632 1 1 30 SER CA C 5.041 0.674 3.115 1.00 . A A . 30 SER CA 1 1 13 8633 1 1 30 SER CB C 5.071 1.545 4.369 1.00 . A A . 30 SER CB 1 1 13 8634 1 1 30 SER H H 5.573 2.356 1.934 1.00 . A A . 30 SER H 1 1 13 8635 1 1 30 SER HA H 5.573 -0.233 3.297 1.00 . A A . 30 SER HA 1 1 13 8636 1 1 30 SER HB2 H 4.478 1.092 5.141 1.00 . A A . 30 SER HB2 1 1 13 8637 1 1 30 SER HB3 H 6.093 1.646 4.715 1.00 . A A . 30 SER HB3 1 1 13 8638 1 1 30 SER HG H 5.029 3.187 3.324 1.00 . A A . 30 SER HG 1 1 13 8639 1 1 30 SER N N 5.693 1.402 2.007 1.00 . A A . 30 SER N 1 1 13 8640 1 1 30 SER O O 2.783 1.258 2.596 1.00 . A A . 30 SER O 1 1 13 8641 1 1 30 SER OG O 4.535 2.827 4.062 1.00 . A A . 30 SER OG 1 1 13 8642 1 1 31 CYS C C 0.903 -0.781 3.352 1.00 . A A . 31 CYS C 1 1 13 8643 1 1 31 CYS CA C 1.841 -1.201 2.210 1.00 . A A . 31 CYS CA 1 1 13 8644 1 1 31 CYS CB C 1.711 -2.703 1.947 1.00 . A A . 31 CYS CB 1 1 13 8645 1 1 31 CYS H H 3.907 -1.595 2.695 1.00 . A A . 31 CYS H 1 1 13 8646 1 1 31 CYS HA H 1.583 -0.659 1.318 1.00 . A A . 31 CYS HA 1 1 13 8647 1 1 31 CYS HB2 H 2.048 -3.250 2.808 1.00 . A A . 31 CYS HB2 1 1 13 8648 1 1 31 CYS HB3 H 0.683 -2.943 1.751 1.00 . A A . 31 CYS HB3 1 1 13 8649 1 1 31 CYS N N 3.247 -0.879 2.579 1.00 . A A . 31 CYS N 1 1 13 8650 1 1 31 CYS O O 1.170 -1.041 4.510 1.00 . A A . 31 CYS O 1 1 13 8651 1 1 31 CYS SG S 2.715 -3.164 0.517 1.00 . A A . 31 CYS SG 1 1 13 8652 1 1 32 GLU C C -2.596 0.195 3.615 1.00 . A A . 32 GLU C 1 1 13 8653 1 1 32 GLU CA C -1.144 0.331 4.096 1.00 . A A . 32 GLU CA 1 1 13 8654 1 1 32 GLU CB C -0.859 1.781 4.434 1.00 . A A . 32 GLU CB 1 1 13 8655 1 1 32 GLU CD C 0.227 1.144 6.597 1.00 . A A . 32 GLU CD 1 1 13 8656 1 1 32 GLU CG C 0.423 1.850 5.253 1.00 . A A . 32 GLU CG 1 1 13 8657 1 1 32 GLU H H -0.375 0.079 2.095 1.00 . A A . 32 GLU H 1 1 13 8658 1 1 32 GLU HA H -0.997 -0.258 4.984 1.00 . A A . 32 GLU HA 1 1 13 8659 1 1 32 GLU HB2 H -0.738 2.347 3.521 1.00 . A A . 32 GLU HB2 1 1 13 8660 1 1 32 GLU HB3 H -1.676 2.190 5.010 1.00 . A A . 32 GLU HB3 1 1 13 8661 1 1 32 GLU HG2 H 1.229 1.381 4.710 1.00 . A A . 32 GLU HG2 1 1 13 8662 1 1 32 GLU HG3 H 0.658 2.867 5.427 1.00 . A A . 32 GLU HG3 1 1 13 8663 1 1 32 GLU N N -0.188 -0.124 3.033 1.00 . A A . 32 GLU N 1 1 13 8664 1 1 32 GLU O O -2.904 0.441 2.466 1.00 . A A . 32 GLU O 1 1 13 8665 1 1 32 GLU OE1 O -0.719 1.483 7.289 1.00 . A A . 32 GLU OE1 1 1 13 8666 1 1 32 GLU OE2 O 1.032 0.283 6.915 1.00 . A A . 32 GLU OE2 1 1 13 8667 1 1 33 ARG C C -5.541 0.992 3.680 1.00 . A A . 33 ARG C 1 1 13 8668 1 1 33 ARG CA C -4.929 -0.358 4.078 1.00 . A A . 33 ARG CA 1 1 13 8669 1 1 33 ARG CB C -5.731 -1.015 5.226 1.00 . A A . 33 ARG CB 1 1 13 8670 1 1 33 ARG CD C -5.258 0.968 6.718 1.00 . A A . 33 ARG CD 1 1 13 8671 1 1 33 ARG CG C -6.347 0.031 6.176 1.00 . A A . 33 ARG CG 1 1 13 8672 1 1 33 ARG CZ C -4.748 1.807 8.939 1.00 . A A . 33 ARG CZ 1 1 13 8673 1 1 33 ARG H H -3.218 -0.394 5.407 1.00 . A A . 33 ARG H 1 1 13 8674 1 1 33 ARG HA H -4.963 -1.005 3.216 1.00 . A A . 33 ARG HA 1 1 13 8675 1 1 33 ARG HB2 H -6.524 -1.612 4.804 1.00 . A A . 33 ARG HB2 1 1 13 8676 1 1 33 ARG HB3 H -5.072 -1.658 5.791 1.00 . A A . 33 ARG HB3 1 1 13 8677 1 1 33 ARG HD2 H -4.323 0.433 6.787 1.00 . A A . 33 ARG HD2 1 1 13 8678 1 1 33 ARG HD3 H -5.143 1.811 6.054 1.00 . A A . 33 ARG HD3 1 1 13 8679 1 1 33 ARG HE H -6.607 1.486 8.319 1.00 . A A . 33 ARG HE 1 1 13 8680 1 1 33 ARG HG2 H -7.094 0.606 5.654 1.00 . A A . 33 ARG HG2 1 1 13 8681 1 1 33 ARG HG3 H -6.816 -0.478 7.004 1.00 . A A . 33 ARG HG3 1 1 13 8682 1 1 33 ARG HH11 H -3.215 1.548 7.676 1.00 . A A . 33 ARG HH11 1 1 13 8683 1 1 33 ARG HH12 H -2.792 2.083 9.268 1.00 . A A . 33 ARG HH12 1 1 13 8684 1 1 33 ARG HH21 H -6.067 2.179 10.399 1.00 . A A . 33 ARG HH21 1 1 13 8685 1 1 33 ARG HH22 H -4.403 2.437 10.808 1.00 . A A . 33 ARG HH22 1 1 13 8686 1 1 33 ARG N N -3.492 -0.199 4.484 1.00 . A A . 33 ARG N 1 1 13 8687 1 1 33 ARG NE N -5.658 1.454 8.071 1.00 . A A . 33 ARG NE 1 1 13 8688 1 1 33 ARG NH1 N -3.486 1.813 8.600 1.00 . A A . 33 ARG NH1 1 1 13 8689 1 1 33 ARG NH2 N -5.100 2.171 10.141 1.00 . A A . 33 ARG NH2 1 1 13 8690 1 1 33 ARG O O -6.650 1.316 4.043 1.00 . A A . 33 ARG O 1 1 13 8691 1 1 34 LYS C C -6.817 2.917 1.971 1.00 . A A . 34 LYS C 1 1 13 8692 1 1 34 LYS CA C -5.410 3.102 2.546 1.00 . A A . 34 LYS CA 1 1 13 8693 1 1 34 LYS CB C -4.503 3.782 1.511 1.00 . A A . 34 LYS CB 1 1 13 8694 1 1 34 LYS CD C -3.307 5.375 3.043 1.00 . A A . 34 LYS CD 1 1 13 8695 1 1 34 LYS CE C -2.110 5.491 3.998 1.00 . A A . 34 LYS CE 1 1 13 8696 1 1 34 LYS CG C -3.157 4.128 2.158 1.00 . A A . 34 LYS CG 1 1 13 8697 1 1 34 LYS H H -3.949 1.522 2.641 1.00 . A A . 34 LYS H 1 1 13 8698 1 1 34 LYS HA H -5.473 3.712 3.420 1.00 . A A . 34 LYS HA 1 1 13 8699 1 1 34 LYS HB2 H -4.342 3.115 0.676 1.00 . A A . 34 LYS HB2 1 1 13 8700 1 1 34 LYS HB3 H -4.974 4.688 1.162 1.00 . A A . 34 LYS HB3 1 1 13 8701 1 1 34 LYS HD2 H -3.349 6.253 2.415 1.00 . A A . 34 LYS HD2 1 1 13 8702 1 1 34 LYS HD3 H -4.215 5.309 3.620 1.00 . A A . 34 LYS HD3 1 1 13 8703 1 1 34 LYS HE2 H -1.407 4.695 3.806 1.00 . A A . 34 LYS HE2 1 1 13 8704 1 1 34 LYS HE3 H -1.621 6.444 3.852 1.00 . A A . 34 LYS HE3 1 1 13 8705 1 1 34 LYS HG2 H -2.829 3.293 2.764 1.00 . A A . 34 LYS HG2 1 1 13 8706 1 1 34 LYS HG3 H -2.427 4.323 1.387 1.00 . A A . 34 LYS HG3 1 1 13 8707 1 1 34 LYS HZ1 H -1.775 5.349 6.048 1.00 . A A . 34 LYS HZ1 1 1 13 8708 1 1 34 LYS HZ2 H -3.161 4.532 5.516 1.00 . A A . 34 LYS HZ2 1 1 13 8709 1 1 34 LYS HZ3 H -3.169 6.227 5.633 1.00 . A A . 34 LYS HZ3 1 1 13 8710 1 1 34 LYS N N -4.842 1.785 2.937 1.00 . A A . 34 LYS N 1 1 13 8711 1 1 34 LYS NZ N -2.589 5.393 5.405 1.00 . A A . 34 LYS NZ 1 1 13 8712 1 1 34 LYS O O -7.531 3.876 1.747 1.00 . A A . 34 LYS O 1 1 13 8713 1 1 35 TRP C C -9.412 0.534 2.080 1.00 . A A . 35 TRP C 1 1 13 8714 1 1 35 TRP CA C -8.594 1.461 1.165 1.00 . A A . 35 TRP CA 1 1 13 8715 1 1 35 TRP CB C -8.463 0.842 -0.232 1.00 . A A . 35 TRP CB 1 1 13 8716 1 1 35 TRP CD1 C -7.516 -1.216 0.942 1.00 . A A . 35 TRP CD1 1 1 13 8717 1 1 35 TRP CD2 C -8.039 -1.586 -1.215 1.00 . A A . 35 TRP CD2 1 1 13 8718 1 1 35 TRP CE2 C -7.541 -2.807 -0.706 1.00 . A A . 35 TRP CE2 1 1 13 8719 1 1 35 TRP CE3 C -8.438 -1.543 -2.561 1.00 . A A . 35 TRP CE3 1 1 13 8720 1 1 35 TRP CG C -8.024 -0.592 -0.152 1.00 . A A . 35 TRP CG 1 1 13 8721 1 1 35 TRP CH2 C -7.847 -3.884 -2.843 1.00 . A A . 35 TRP CH2 1 1 13 8722 1 1 35 TRP CZ2 C -7.446 -3.945 -1.511 1.00 . A A . 35 TRP CZ2 1 1 13 8723 1 1 35 TRP CZ3 C -8.341 -2.686 -3.370 1.00 . A A . 35 TRP CZ3 1 1 13 8724 1 1 35 TRP H H -6.633 0.942 1.917 1.00 . A A . 35 TRP H 1 1 13 8725 1 1 35 TRP HA H -9.111 2.406 1.080 1.00 . A A . 35 TRP HA 1 1 13 8726 1 1 35 TRP HB2 H -9.419 0.892 -0.731 1.00 . A A . 35 TRP HB2 1 1 13 8727 1 1 35 TRP HB3 H -7.738 1.405 -0.800 1.00 . A A . 35 TRP HB3 1 1 13 8728 1 1 35 TRP HD1 H -7.361 -0.766 1.910 1.00 . A A . 35 TRP HD1 1 1 13 8729 1 1 35 TRP HE1 H -6.869 -3.203 1.227 1.00 . A A . 35 TRP HE1 1 1 13 8730 1 1 35 TRP HE3 H -8.817 -0.623 -2.975 1.00 . A A . 35 TRP HE3 1 1 13 8731 1 1 35 TRP HH2 H -7.772 -4.761 -3.470 1.00 . A A . 35 TRP HH2 1 1 13 8732 1 1 35 TRP HZ2 H -7.067 -4.866 -1.108 1.00 . A A . 35 TRP HZ2 1 1 13 8733 1 1 35 TRP HZ3 H -8.650 -2.641 -4.403 1.00 . A A . 35 TRP HZ3 1 1 13 8734 1 1 35 TRP N N -7.225 1.698 1.730 1.00 . A A . 35 TRP N 1 1 13 8735 1 1 35 TRP NE1 N -7.238 -2.533 0.614 1.00 . A A . 35 TRP NE1 1 1 13 8736 1 1 35 TRP O O -9.228 0.519 3.278 1.00 . A A . 35 TRP O 1 1 13 8737 1 1 36 LYS C C -12.661 -0.722 2.164 1.00 . A A . 36 LYS C 1 1 13 8738 1 1 36 LYS CA C -11.202 -1.189 2.233 1.00 . A A . 36 LYS CA 1 1 13 8739 1 1 36 LYS CB C -10.821 -1.339 3.717 1.00 . A A . 36 LYS CB 1 1 13 8740 1 1 36 LYS CD C -9.329 -2.489 5.360 1.00 . A A . 36 LYS CD 1 1 13 8741 1 1 36 LYS CE C -8.333 -3.634 5.556 1.00 . A A . 36 LYS CE 1 1 13 8742 1 1 36 LYS CG C -9.727 -2.398 3.883 1.00 . A A . 36 LYS CG 1 1 13 8743 1 1 36 LYS H H -10.409 -0.162 0.523 1.00 . A A . 36 LYS H 1 1 13 8744 1 1 36 LYS HA H -11.131 -2.157 1.755 1.00 . A A . 36 LYS HA 1 1 13 8745 1 1 36 LYS HB2 H -10.476 -0.397 4.099 1.00 . A A . 36 LYS HB2 1 1 13 8746 1 1 36 LYS HB3 H -11.691 -1.645 4.275 1.00 . A A . 36 LYS HB3 1 1 13 8747 1 1 36 LYS HD2 H -8.874 -1.559 5.668 1.00 . A A . 36 LYS HD2 1 1 13 8748 1 1 36 LYS HD3 H -10.208 -2.674 5.959 1.00 . A A . 36 LYS HD3 1 1 13 8749 1 1 36 LYS HE2 H -8.868 -4.573 5.582 1.00 . A A . 36 LYS HE2 1 1 13 8750 1 1 36 LYS HE3 H -7.628 -3.646 4.737 1.00 . A A . 36 LYS HE3 1 1 13 8751 1 1 36 LYS HG2 H -10.101 -3.357 3.550 1.00 . A A . 36 LYS HG2 1 1 13 8752 1 1 36 LYS HG3 H -8.865 -2.123 3.296 1.00 . A A . 36 LYS HG3 1 1 13 8753 1 1 36 LYS HZ1 H -8.146 -2.808 7.459 1.00 . A A . 36 LYS HZ1 1 1 13 8754 1 1 36 LYS HZ2 H -6.670 -3.026 6.650 1.00 . A A . 36 LYS HZ2 1 1 13 8755 1 1 36 LYS HZ3 H -7.482 -4.365 7.310 1.00 . A A . 36 LYS HZ3 1 1 13 8756 1 1 36 LYS N N -10.311 -0.225 1.490 1.00 . A A . 36 LYS N 1 1 13 8757 1 1 36 LYS NZ N -7.603 -3.445 6.841 1.00 . A A . 36 LYS NZ 1 1 13 8758 1 1 36 LYS O O -13.510 -1.252 2.852 1.00 . A A . 36 LYS O 1 1 13 8759 1 1 37 TYR C C -14.866 0.848 -0.165 1.00 . A A . 37 TYR C 1 1 13 8760 1 1 37 TYR CA C -14.399 0.715 1.284 1.00 . A A . 37 TYR CA 1 1 13 8761 1 1 37 TYR CB C -14.551 2.063 1.996 1.00 . A A . 37 TYR CB 1 1 13 8762 1 1 37 TYR CD1 C -12.209 2.598 2.741 1.00 . A A . 37 TYR CD1 1 1 13 8763 1 1 37 TYR CD2 C -13.161 3.854 0.899 1.00 . A A . 37 TYR CD2 1 1 13 8764 1 1 37 TYR CE1 C -11.026 3.338 2.634 1.00 . A A . 37 TYR CE1 1 1 13 8765 1 1 37 TYR CE2 C -11.980 4.595 0.792 1.00 . A A . 37 TYR CE2 1 1 13 8766 1 1 37 TYR CG C -13.276 2.856 1.873 1.00 . A A . 37 TYR CG 1 1 13 8767 1 1 37 TYR CZ C -10.912 4.337 1.660 1.00 . A A . 37 TYR CZ 1 1 13 8768 1 1 37 TYR H H -12.253 0.703 0.768 1.00 . A A . 37 TYR H 1 1 13 8769 1 1 37 TYR HA H -15.028 -0.012 1.777 1.00 . A A . 37 TYR HA 1 1 13 8770 1 1 37 TYR HB2 H -15.363 2.618 1.549 1.00 . A A . 37 TYR HB2 1 1 13 8771 1 1 37 TYR HB3 H -14.768 1.893 3.040 1.00 . A A . 37 TYR HB3 1 1 13 8772 1 1 37 TYR HD1 H -12.297 1.827 3.492 1.00 . A A . 37 TYR HD1 1 1 13 8773 1 1 37 TYR HD2 H -13.986 4.051 0.229 1.00 . A A . 37 TYR HD2 1 1 13 8774 1 1 37 TYR HE1 H -10.202 3.139 3.303 1.00 . A A . 37 TYR HE1 1 1 13 8775 1 1 37 TYR HE2 H -11.891 5.365 0.041 1.00 . A A . 37 TYR HE2 1 1 13 8776 1 1 37 TYR HH H -9.819 5.629 0.780 1.00 . A A . 37 TYR HH 1 1 13 8777 1 1 37 TYR N N -12.975 0.256 1.352 1.00 . A A . 37 TYR N 1 1 13 8778 1 1 37 TYR O O -15.931 1.370 -0.423 1.00 . A A . 37 TYR O 1 1 13 8779 1 1 37 TYR OH O -9.747 5.069 1.555 1.00 . A A . 37 TYR OH 1 1 13 8780 1 1 38 LEU C C -13.686 -0.324 -3.447 1.00 . A A . 38 LEU C 1 1 13 8781 1 1 38 LEU CA C -14.584 0.490 -2.515 1.00 . A A . 38 LEU CA 1 1 13 8782 1 1 38 LEU CB C -14.611 1.969 -2.930 1.00 . A A . 38 LEU CB 1 1 13 8783 1 1 38 LEU CD1 C -16.856 1.500 -3.993 1.00 . A A . 38 LEU CD1 1 1 13 8784 1 1 38 LEU CD2 C -15.664 3.661 -4.457 1.00 . A A . 38 LEU CD2 1 1 13 8785 1 1 38 LEU CG C -15.478 2.157 -4.188 1.00 . A A . 38 LEU CG 1 1 13 8786 1 1 38 LEU H H -13.268 -0.061 -0.916 1.00 . A A . 38 LEU H 1 1 13 8787 1 1 38 LEU HA H -15.571 0.085 -2.556 1.00 . A A . 38 LEU HA 1 1 13 8788 1 1 38 LEU HB2 H -15.020 2.559 -2.124 1.00 . A A . 38 LEU HB2 1 1 13 8789 1 1 38 LEU HB3 H -13.605 2.301 -3.138 1.00 . A A . 38 LEU HB3 1 1 13 8790 1 1 38 LEU HD11 H -16.804 0.462 -4.293 1.00 . A A . 38 LEU HD11 1 1 13 8791 1 1 38 LEU HD12 H -17.589 2.008 -4.599 1.00 . A A . 38 LEU HD12 1 1 13 8792 1 1 38 LEU HD13 H -17.144 1.563 -2.953 1.00 . A A . 38 LEU HD13 1 1 13 8793 1 1 38 LEU HD21 H -15.068 4.235 -3.763 1.00 . A A . 38 LEU HD21 1 1 13 8794 1 1 38 LEU HD22 H -16.706 3.926 -4.340 1.00 . A A . 38 LEU HD22 1 1 13 8795 1 1 38 LEU HD23 H -15.351 3.886 -5.465 1.00 . A A . 38 LEU HD23 1 1 13 8796 1 1 38 LEU HG H -14.982 1.701 -5.033 1.00 . A A . 38 LEU HG 1 1 13 8797 1 1 38 LEU N N -14.113 0.375 -1.117 1.00 . A A . 38 LEU N 1 1 13 8798 1 1 38 LEU O O -13.568 -1.519 -3.293 1.00 . A A . 38 LEU O 1 1 13 8799 1 1 39 PHE C C -12.708 -1.843 -5.616 1.00 . A A . 39 PHE C 1 1 13 8800 1 1 39 PHE CA C -12.182 -0.430 -5.371 1.00 . A A . 39 PHE CA 1 1 13 8801 1 1 39 PHE CB C -10.774 -0.525 -4.781 1.00 . A A . 39 PHE CB 1 1 13 8802 1 1 39 PHE CD1 C -10.466 1.868 -4.032 1.00 . A A . 39 PHE CD1 1 1 13 8803 1 1 39 PHE CD2 C -9.040 1.002 -5.792 1.00 . A A . 39 PHE CD2 1 1 13 8804 1 1 39 PHE CE1 C -9.816 3.105 -4.114 1.00 . A A . 39 PHE CE1 1 1 13 8805 1 1 39 PHE CE2 C -8.389 2.239 -5.873 1.00 . A A . 39 PHE CE2 1 1 13 8806 1 1 39 PHE CG C -10.079 0.816 -4.871 1.00 . A A . 39 PHE CG 1 1 13 8807 1 1 39 PHE CZ C -8.775 3.290 -5.035 1.00 . A A . 39 PHE CZ 1 1 13 8808 1 1 39 PHE H H -13.184 1.274 -4.516 1.00 . A A . 39 PHE H 1 1 13 8809 1 1 39 PHE HA H -12.143 0.092 -6.298 1.00 . A A . 39 PHE HA 1 1 13 8810 1 1 39 PHE HB2 H -10.847 -0.824 -3.748 1.00 . A A . 39 PHE HB2 1 1 13 8811 1 1 39 PHE HB3 H -10.207 -1.261 -5.329 1.00 . A A . 39 PHE HB3 1 1 13 8812 1 1 39 PHE HD1 H -11.269 1.726 -3.322 1.00 . A A . 39 PHE HD1 1 1 13 8813 1 1 39 PHE HD2 H -8.739 0.191 -6.439 1.00 . A A . 39 PHE HD2 1 1 13 8814 1 1 39 PHE HE1 H -10.114 3.916 -3.467 1.00 . A A . 39 PHE HE1 1 1 13 8815 1 1 39 PHE HE2 H -7.587 2.382 -6.583 1.00 . A A . 39 PHE HE2 1 1 13 8816 1 1 39 PHE HZ H -8.273 4.244 -5.097 1.00 . A A . 39 PHE HZ 1 1 13 8817 1 1 39 PHE N N -13.061 0.309 -4.410 1.00 . A A . 39 PHE N 1 1 13 8818 1 1 39 PHE O O -13.190 -2.165 -6.682 1.00 . A A . 39 PHE O 1 1 13 8819 1 1 40 THR C C -11.993 -4.880 -5.516 1.00 . A A . 40 THR C 1 1 13 8820 1 1 40 THR CA C -13.074 -4.087 -4.779 1.00 . A A . 40 THR CA 1 1 13 8821 1 1 40 THR CB C -14.402 -4.132 -5.565 1.00 . A A . 40 THR CB 1 1 13 8822 1 1 40 THR CG2 C -15.312 -5.221 -4.986 1.00 . A A . 40 THR CG2 1 1 13 8823 1 1 40 THR H H -12.197 -2.377 -3.805 1.00 . A A . 40 THR H 1 1 13 8824 1 1 40 THR HA H -13.219 -4.513 -3.795 1.00 . A A . 40 THR HA 1 1 13 8825 1 1 40 THR HB H -14.204 -4.352 -6.602 1.00 . A A . 40 THR HB 1 1 13 8826 1 1 40 THR HG1 H -14.688 -2.405 -4.718 1.00 . A A . 40 THR HG1 1 1 13 8827 1 1 40 THR HG21 H -15.566 -4.974 -3.967 1.00 . A A . 40 THR HG21 1 1 13 8828 1 1 40 THR HG22 H -14.799 -6.171 -5.010 1.00 . A A . 40 THR HG22 1 1 13 8829 1 1 40 THR HG23 H -16.216 -5.286 -5.578 1.00 . A A . 40 THR HG23 1 1 13 8830 1 1 40 THR N N -12.603 -2.678 -4.638 1.00 . A A . 40 THR N 1 1 13 8831 1 1 40 THR O O -12.262 -5.596 -6.461 1.00 . A A . 40 THR O 1 1 13 8832 1 1 40 THR OG1 O -15.057 -2.875 -5.469 1.00 . A A . 40 THR OG1 1 1 13 8833 1 1 41 GLY C C -9.698 -6.952 -5.401 1.00 . A A . 41 GLY C 1 1 13 8834 1 1 41 GLY CA C -9.655 -5.468 -5.770 1.00 . A A . 41 GLY CA 1 1 13 8835 1 1 41 GLY H H -10.573 -4.151 -4.336 1.00 . A A . 41 GLY H 1 1 13 8836 1 1 41 GLY HA2 H -9.762 -5.362 -6.839 1.00 . A A . 41 GLY HA2 1 1 13 8837 1 1 41 GLY HA3 H -8.710 -5.051 -5.463 1.00 . A A . 41 GLY HA3 1 1 13 8838 1 1 41 GLY N N -10.765 -4.742 -5.093 1.00 . A A . 41 GLY N 1 1 13 8839 1 1 41 GLY O O -8.681 -7.605 -5.317 1.00 . A A . 41 GLY O 1 1 13 8840 1 1 42 GLU C C -10.054 -9.338 -3.740 1.00 . A A . 42 GLU C 1 1 13 8841 1 1 42 GLU CA C -11.027 -8.928 -4.848 1.00 . A A . 42 GLU CA 1 1 13 8842 1 1 42 GLU CB C -10.829 -9.788 -6.113 1.00 . A A . 42 GLU CB 1 1 13 8843 1 1 42 GLU CD C -9.026 -10.302 -7.787 1.00 . A A . 42 GLU CD 1 1 13 8844 1 1 42 GLU CG C -9.356 -10.207 -6.295 1.00 . A A . 42 GLU CG 1 1 13 8845 1 1 42 GLU H H -11.672 -6.918 -5.276 1.00 . A A . 42 GLU H 1 1 13 8846 1 1 42 GLU HA H -12.028 -9.076 -4.477 1.00 . A A . 42 GLU HA 1 1 13 8847 1 1 42 GLU HB2 H -11.440 -10.675 -6.035 1.00 . A A . 42 GLU HB2 1 1 13 8848 1 1 42 GLU HB3 H -11.146 -9.217 -6.976 1.00 . A A . 42 GLU HB3 1 1 13 8849 1 1 42 GLU HG2 H -8.708 -9.482 -5.834 1.00 . A A . 42 GLU HG2 1 1 13 8850 1 1 42 GLU HG3 H -9.197 -11.170 -5.837 1.00 . A A . 42 GLU HG3 1 1 13 8851 1 1 42 GLU N N -10.874 -7.479 -5.192 1.00 . A A . 42 GLU N 1 1 13 8852 1 1 42 GLU O O -9.480 -10.408 -3.760 1.00 . A A . 42 GLU O 1 1 13 8853 1 1 42 GLU OE1 O -9.092 -9.284 -8.457 1.00 . A A . 42 GLU OE1 1 1 13 8854 1 1 42 GLU OE2 O -8.708 -11.392 -8.234 1.00 . A A . 42 GLU OE2 1 1 13 8855 1 1 43 CYS C C -9.764 -9.210 -0.420 1.00 . A A . 43 CYS C 1 1 13 8856 1 1 43 CYS CA C -8.958 -8.816 -1.661 1.00 . A A . 43 CYS CA 1 1 13 8857 1 1 43 CYS CB C -8.148 -7.571 -1.368 1.00 . A A . 43 CYS CB 1 1 13 8858 1 1 43 CYS H H -10.340 -7.646 -2.763 1.00 . A A . 43 CYS H 1 1 13 8859 1 1 43 CYS HXT H -9.507 -7.751 0.671 1.00 . A A . 43 CYS HXT 1 1 13 8860 1 1 43 CYS HA H -8.299 -9.623 -1.940 1.00 . A A . 43 CYS HA 1 1 13 8861 1 1 43 CYS HB2 H -8.818 -6.734 -1.243 1.00 . A A . 43 CYS HB2 1 1 13 8862 1 1 43 CYS HB3 H -7.598 -7.716 -0.473 1.00 . A A . 43 CYS HB3 1 1 13 8863 1 1 43 CYS N N -9.873 -8.497 -2.768 1.00 . A A . 43 CYS N 1 1 13 8864 1 1 43 CYS O O -9.873 -10.397 -0.161 1.00 . A A . 43 CYS O 1 1 13 8865 1 1 43 CYS OXT O -10.257 -8.317 0.247 1.00 . A A . 43 CYS OXT 1 1 13 8866 1 1 43 CYS SG S -7.017 -7.231 -2.742 1.00 . A A . 43 CYS SG 1 1 14 8867 1 1 1 CYS C C 3.646 -7.979 -0.095 1.00 . A A . 1 CYS C 1 1 14 8868 1 1 1 CYS CA C 3.470 -8.615 -1.477 1.00 . A A . 1 CYS CA 1 1 14 8869 1 1 1 CYS CB C 2.126 -9.350 -1.520 1.00 . A A . 1 CYS CB 1 1 14 8870 1 1 1 CYS H1 H 5.481 -9.066 -1.715 1.00 . A A . 1 CYS H1 1 1 14 8871 1 1 1 CYS H2 H 4.578 -10.310 -1.031 1.00 . A A . 1 CYS H2 1 1 14 8872 1 1 1 CYS H3 H 4.455 -9.988 -2.678 1.00 . A A . 1 CYS H3 1 1 14 8873 1 1 1 CYS HA H 3.476 -7.845 -2.227 1.00 . A A . 1 CYS HA 1 1 14 8874 1 1 1 CYS HB2 H 1.340 -8.625 -1.594 1.00 . A A . 1 CYS HB2 1 1 14 8875 1 1 1 CYS HB3 H 2.084 -10.020 -2.378 1.00 . A A . 1 CYS HB3 1 1 14 8876 1 1 1 CYS N N 4.582 -9.568 -1.746 1.00 . A A . 1 CYS N 1 1 14 8877 1 1 1 CYS O O 3.752 -8.664 0.902 1.00 . A A . 1 CYS O 1 1 14 8878 1 1 1 CYS SG S 1.910 -10.322 -0.070 1.00 . A A . 1 CYS SG 1 1 14 8879 1 1 2 GLY C C 2.480 -6.087 2.065 1.00 . A A . 2 GLY C 1 1 14 8880 1 1 2 GLY CA C 3.818 -6.033 1.316 1.00 . A A . 2 GLY CA 1 1 14 8881 1 1 2 GLY H H 3.575 -6.125 -0.825 1.00 . A A . 2 GLY H 1 1 14 8882 1 1 2 GLY HA2 H 4.575 -6.557 1.883 1.00 . A A . 2 GLY HA2 1 1 14 8883 1 1 2 GLY HA3 H 4.112 -5.002 1.186 1.00 . A A . 2 GLY HA3 1 1 14 8884 1 1 2 GLY N N 3.664 -6.677 -0.016 1.00 . A A . 2 GLY N 1 1 14 8885 1 1 2 GLY O O 1.444 -5.759 1.522 1.00 . A A . 2 GLY O 1 1 14 8886 1 1 3 SER C C 1.373 -5.661 5.323 1.00 . A A . 3 SER C 1 1 14 8887 1 1 3 SER CA C 1.232 -6.561 4.099 1.00 . A A . 3 SER CA 1 1 14 8888 1 1 3 SER CB C 0.998 -8.002 4.556 1.00 . A A . 3 SER CB 1 1 14 8889 1 1 3 SER H H 3.345 -6.746 3.725 1.00 . A A . 3 SER H 1 1 14 8890 1 1 3 SER HA H 0.396 -6.230 3.498 1.00 . A A . 3 SER HA 1 1 14 8891 1 1 3 SER HB2 H 0.016 -8.092 4.992 1.00 . A A . 3 SER HB2 1 1 14 8892 1 1 3 SER HB3 H 1.073 -8.664 3.704 1.00 . A A . 3 SER HB3 1 1 14 8893 1 1 3 SER HG H 2.797 -8.542 5.069 1.00 . A A . 3 SER HG 1 1 14 8894 1 1 3 SER N N 2.497 -6.491 3.308 1.00 . A A . 3 SER N 1 1 14 8895 1 1 3 SER O O 2.452 -5.501 5.844 1.00 . A A . 3 SER O 1 1 14 8896 1 1 3 SER OG O 1.976 -8.350 5.529 1.00 . A A . 3 SER OG 1 1 14 8897 1 1 4 LYS C C 1.790 -3.976 7.438 1.00 . A A . 4 LYS C 1 1 14 8898 1 1 4 LYS CA C 0.347 -4.168 6.972 1.00 . A A . 4 LYS CA 1 1 14 8899 1 1 4 LYS CB C -0.509 -4.780 8.104 1.00 . A A . 4 LYS CB 1 1 14 8900 1 1 4 LYS CD C 0.672 -5.774 10.106 1.00 . A A . 4 LYS CD 1 1 14 8901 1 1 4 LYS CE C -0.439 -6.569 10.798 1.00 . A A . 4 LYS CE 1 1 14 8902 1 1 4 LYS CG C 0.097 -4.485 9.496 1.00 . A A . 4 LYS CG 1 1 14 8903 1 1 4 LYS H H -0.564 -5.226 5.326 1.00 . A A . 4 LYS H 1 1 14 8904 1 1 4 LYS HA H -0.056 -3.205 6.701 1.00 . A A . 4 LYS HA 1 1 14 8905 1 1 4 LYS HB2 H -1.500 -4.354 8.063 1.00 . A A . 4 LYS HB2 1 1 14 8906 1 1 4 LYS HB3 H -0.580 -5.846 7.960 1.00 . A A . 4 LYS HB3 1 1 14 8907 1 1 4 LYS HD2 H 1.112 -6.378 9.323 1.00 . A A . 4 LYS HD2 1 1 14 8908 1 1 4 LYS HD3 H 1.432 -5.520 10.828 1.00 . A A . 4 LYS HD3 1 1 14 8909 1 1 4 LYS HE2 H -1.073 -5.898 11.358 1.00 . A A . 4 LYS HE2 1 1 14 8910 1 1 4 LYS HE3 H -1.030 -7.085 10.056 1.00 . A A . 4 LYS HE3 1 1 14 8911 1 1 4 LYS HG2 H 0.880 -3.749 9.410 1.00 . A A . 4 LYS HG2 1 1 14 8912 1 1 4 LYS HG3 H -0.673 -4.099 10.145 1.00 . A A . 4 LYS HG3 1 1 14 8913 1 1 4 LYS HZ1 H 1.015 -7.153 12.171 1.00 . A A . 4 LYS HZ1 1 1 14 8914 1 1 4 LYS HZ2 H 0.439 -8.416 11.197 1.00 . A A . 4 LYS HZ2 1 1 14 8915 1 1 4 LYS HZ3 H -0.521 -7.818 12.464 1.00 . A A . 4 LYS HZ3 1 1 14 8916 1 1 4 LYS N N 0.293 -5.074 5.777 1.00 . A A . 4 LYS N 1 1 14 8917 1 1 4 LYS NZ N 0.169 -7.565 11.728 1.00 . A A . 4 LYS NZ 1 1 14 8918 1 1 4 LYS O O 2.431 -4.894 7.913 1.00 . A A . 4 LYS O 1 1 14 8919 1 1 5 ARG C C 4.638 -3.413 6.946 1.00 . A A . 5 ARG C 1 1 14 8920 1 1 5 ARG CA C 3.694 -2.520 7.744 1.00 . A A . 5 ARG CA 1 1 14 8921 1 1 5 ARG CB C 3.834 -2.818 9.242 1.00 . A A . 5 ARG CB 1 1 14 8922 1 1 5 ARG CD C 5.469 -3.178 11.119 1.00 . A A . 5 ARG CD 1 1 14 8923 1 1 5 ARG CG C 5.308 -2.714 9.663 1.00 . A A . 5 ARG CG 1 1 14 8924 1 1 5 ARG CZ C 6.231 -5.428 10.602 1.00 . A A . 5 ARG CZ 1 1 14 8925 1 1 5 ARG H H 1.761 -2.058 6.927 1.00 . A A . 5 ARG H 1 1 14 8926 1 1 5 ARG HA H 3.938 -1.483 7.560 1.00 . A A . 5 ARG HA 1 1 14 8927 1 1 5 ARG HB2 H 3.254 -2.100 9.803 1.00 . A A . 5 ARG HB2 1 1 14 8928 1 1 5 ARG HB3 H 3.471 -3.809 9.450 1.00 . A A . 5 ARG HB3 1 1 14 8929 1 1 5 ARG HD2 H 5.805 -2.351 11.728 1.00 . A A . 5 ARG HD2 1 1 14 8930 1 1 5 ARG HD3 H 4.522 -3.537 11.496 1.00 . A A . 5 ARG HD3 1 1 14 8931 1 1 5 ARG HE H 7.321 -4.138 11.649 1.00 . A A . 5 ARG HE 1 1 14 8932 1 1 5 ARG HG2 H 5.915 -3.338 9.026 1.00 . A A . 5 ARG HG2 1 1 14 8933 1 1 5 ARG HG3 H 5.633 -1.689 9.576 1.00 . A A . 5 ARG HG3 1 1 14 8934 1 1 5 ARG HH11 H 4.437 -4.889 9.904 1.00 . A A . 5 ARG HH11 1 1 14 8935 1 1 5 ARG HH12 H 4.933 -6.500 9.522 1.00 . A A . 5 ARG HH12 1 1 14 8936 1 1 5 ARG HH21 H 7.968 -6.246 11.160 1.00 . A A . 5 ARG HH21 1 1 14 8937 1 1 5 ARG HH22 H 6.925 -7.266 10.228 1.00 . A A . 5 ARG HH22 1 1 14 8938 1 1 5 ARG N N 2.299 -2.781 7.311 1.00 . A A . 5 ARG N 1 1 14 8939 1 1 5 ARG NE N 6.475 -4.276 11.175 1.00 . A A . 5 ARG NE 1 1 14 8940 1 1 5 ARG NH1 N 5.113 -5.619 9.960 1.00 . A A . 5 ARG NH1 1 1 14 8941 1 1 5 ARG NH2 N 7.110 -6.387 10.668 1.00 . A A . 5 ARG NH2 1 1 14 8942 1 1 5 ARG O O 4.986 -4.499 7.360 1.00 . A A . 5 ARG O 1 1 14 8943 1 1 6 ALA C C 6.264 -3.089 3.648 1.00 . A A . 6 ALA C 1 1 14 8944 1 1 6 ALA CA C 5.986 -3.784 4.980 1.00 . A A . 6 ALA CA 1 1 14 8945 1 1 6 ALA CB C 5.365 -5.158 4.724 1.00 . A A . 6 ALA CB 1 1 14 8946 1 1 6 ALA H H 4.755 -2.083 5.485 1.00 . A A . 6 ALA H 1 1 14 8947 1 1 6 ALA HA H 6.917 -3.909 5.514 1.00 . A A . 6 ALA HA 1 1 14 8948 1 1 6 ALA HB1 H 5.681 -5.526 3.761 1.00 . A A . 6 ALA HB1 1 1 14 8949 1 1 6 ALA HB2 H 4.292 -5.071 4.741 1.00 . A A . 6 ALA HB2 1 1 14 8950 1 1 6 ALA HB3 H 5.682 -5.846 5.495 1.00 . A A . 6 ALA HB3 1 1 14 8951 1 1 6 ALA N N 5.057 -2.962 5.802 1.00 . A A . 6 ALA N 1 1 14 8952 1 1 6 ALA O O 5.374 -2.604 2.979 1.00 . A A . 6 ALA O 1 1 14 8953 1 1 7 TRP C C 7.091 -2.909 0.822 1.00 . A A . 7 TRP C 1 1 14 8954 1 1 7 TRP CA C 7.915 -2.386 2.003 1.00 . A A . 7 TRP CA 1 1 14 8955 1 1 7 TRP CB C 9.405 -2.667 1.773 1.00 . A A . 7 TRP CB 1 1 14 8956 1 1 7 TRP CD1 C 9.769 -1.152 -0.220 1.00 . A A . 7 TRP CD1 1 1 14 8957 1 1 7 TRP CD2 C 10.241 -3.306 -0.664 1.00 . A A . 7 TRP CD2 1 1 14 8958 1 1 7 TRP CE2 C 10.486 -2.583 -1.855 1.00 . A A . 7 TRP CE2 1 1 14 8959 1 1 7 TRP CE3 C 10.465 -4.694 -0.671 1.00 . A A . 7 TRP CE3 1 1 14 8960 1 1 7 TRP CG C 9.783 -2.375 0.358 1.00 . A A . 7 TRP CG 1 1 14 8961 1 1 7 TRP CH2 C 11.155 -4.599 -3.004 1.00 . A A . 7 TRP CH2 1 1 14 8962 1 1 7 TRP CZ2 C 10.937 -3.216 -3.013 1.00 . A A . 7 TRP CZ2 1 1 14 8963 1 1 7 TRP CZ3 C 10.918 -5.336 -1.835 1.00 . A A . 7 TRP CZ3 1 1 14 8964 1 1 7 TRP H H 8.197 -3.441 3.850 1.00 . A A . 7 TRP H 1 1 14 8965 1 1 7 TRP HA H 7.767 -1.324 2.088 1.00 . A A . 7 TRP HA 1 1 14 8966 1 1 7 TRP HB2 H 9.991 -2.045 2.434 1.00 . A A . 7 TRP HB2 1 1 14 8967 1 1 7 TRP HB3 H 9.608 -3.706 1.992 1.00 . A A . 7 TRP HB3 1 1 14 8968 1 1 7 TRP HD1 H 9.481 -0.233 0.264 1.00 . A A . 7 TRP HD1 1 1 14 8969 1 1 7 TRP HE1 H 10.257 -0.538 -2.175 1.00 . A A . 7 TRP HE1 1 1 14 8970 1 1 7 TRP HE3 H 10.285 -5.271 0.225 1.00 . A A . 7 TRP HE3 1 1 14 8971 1 1 7 TRP HH2 H 11.504 -5.097 -3.896 1.00 . A A . 7 TRP HH2 1 1 14 8972 1 1 7 TRP HZ2 H 11.119 -2.643 -3.912 1.00 . A A . 7 TRP HZ2 1 1 14 8973 1 1 7 TRP HZ3 H 11.087 -6.403 -1.830 1.00 . A A . 7 TRP HZ3 1 1 14 8974 1 1 7 TRP N N 7.511 -3.042 3.276 1.00 . A A . 7 TRP N 1 1 14 8975 1 1 7 TRP NE1 N 10.182 -1.276 -1.535 1.00 . A A . 7 TRP NE1 1 1 14 8976 1 1 7 TRP O O 6.974 -4.099 0.607 1.00 . A A . 7 TRP O 1 1 14 8977 1 1 8 CYS C C 6.476 -1.891 -2.397 1.00 . A A . 8 CYS C 1 1 14 8978 1 1 8 CYS CA C 5.746 -2.413 -1.158 1.00 . A A . 8 CYS CA 1 1 14 8979 1 1 8 CYS CB C 4.352 -1.782 -1.094 1.00 . A A . 8 CYS CB 1 1 14 8980 1 1 8 CYS H H 6.681 -1.053 0.239 1.00 . A A . 8 CYS H 1 1 14 8981 1 1 8 CYS HA H 5.657 -3.495 -1.208 1.00 . A A . 8 CYS HA 1 1 14 8982 1 1 8 CYS HB2 H 3.738 -2.179 -1.888 1.00 . A A . 8 CYS HB2 1 1 14 8983 1 1 8 CYS HB3 H 3.896 -2.001 -0.149 1.00 . A A . 8 CYS HB3 1 1 14 8984 1 1 8 CYS N N 6.545 -2.009 0.043 1.00 . A A . 8 CYS N 1 1 14 8985 1 1 8 CYS O O 7.133 -0.879 -2.346 1.00 . A A . 8 CYS O 1 1 14 8986 1 1 8 CYS SG S 4.489 0.070 -1.282 1.00 . A A . 8 CYS SG 1 1 14 8987 1 1 9 LYS C C 6.152 -1.168 -5.525 1.00 . A A . 9 LYS C 1 1 14 8988 1 1 9 LYS CA C 7.102 -2.061 -4.714 1.00 . A A . 9 LYS CA 1 1 14 8989 1 1 9 LYS CB C 7.569 -3.260 -5.547 1.00 . A A . 9 LYS CB 1 1 14 8990 1 1 9 LYS CD C 9.693 -4.130 -6.564 1.00 . A A . 9 LYS CD 1 1 14 8991 1 1 9 LYS CE C 11.010 -3.734 -7.246 1.00 . A A . 9 LYS CE 1 1 14 8992 1 1 9 LYS CG C 8.815 -2.887 -6.368 1.00 . A A . 9 LYS CG 1 1 14 8993 1 1 9 LYS H H 5.864 -3.389 -3.548 1.00 . A A . 9 LYS H 1 1 14 8994 1 1 9 LYS HA H 7.960 -1.479 -4.405 1.00 . A A . 9 LYS HA 1 1 14 8995 1 1 9 LYS HB2 H 7.804 -4.080 -4.884 1.00 . A A . 9 LYS HB2 1 1 14 8996 1 1 9 LYS HB3 H 6.776 -3.559 -6.214 1.00 . A A . 9 LYS HB3 1 1 14 8997 1 1 9 LYS HD2 H 9.908 -4.575 -5.603 1.00 . A A . 9 LYS HD2 1 1 14 8998 1 1 9 LYS HD3 H 9.171 -4.845 -7.182 1.00 . A A . 9 LYS HD3 1 1 14 8999 1 1 9 LYS HE2 H 11.064 -4.198 -8.220 1.00 . A A . 9 LYS HE2 1 1 14 9000 1 1 9 LYS HE3 H 11.058 -2.660 -7.357 1.00 . A A . 9 LYS HE3 1 1 14 9001 1 1 9 LYS HG2 H 8.511 -2.507 -7.333 1.00 . A A . 9 LYS HG2 1 1 14 9002 1 1 9 LYS HG3 H 9.382 -2.133 -5.848 1.00 . A A . 9 LYS HG3 1 1 14 9003 1 1 9 LYS HZ1 H 11.972 -3.983 -5.414 1.00 . A A . 9 LYS HZ1 1 1 14 9004 1 1 9 LYS HZ2 H 13.024 -3.710 -6.715 1.00 . A A . 9 LYS HZ2 1 1 14 9005 1 1 9 LYS HZ3 H 12.277 -5.225 -6.532 1.00 . A A . 9 LYS HZ3 1 1 14 9006 1 1 9 LYS N N 6.388 -2.563 -3.506 1.00 . A A . 9 LYS N 1 1 14 9007 1 1 9 LYS NZ N 12.157 -4.198 -6.415 1.00 . A A . 9 LYS NZ 1 1 14 9008 1 1 9 LYS O O 6.504 -0.081 -5.938 1.00 . A A . 9 LYS O 1 1 14 9009 1 1 10 GLU C C 2.542 -1.253 -6.011 1.00 . A A . 10 GLU C 1 1 14 9010 1 1 10 GLU CA C 3.931 -0.815 -6.486 1.00 . A A . 10 GLU CA 1 1 14 9011 1 1 10 GLU CB C 4.049 -1.067 -8.001 1.00 . A A . 10 GLU CB 1 1 14 9012 1 1 10 GLU CD C 5.558 -1.702 -9.888 1.00 . A A . 10 GLU CD 1 1 14 9013 1 1 10 GLU CG C 5.458 -1.544 -8.366 1.00 . A A . 10 GLU CG 1 1 14 9014 1 1 10 GLU H H 4.685 -2.483 -5.361 1.00 . A A . 10 GLU H 1 1 14 9015 1 1 10 GLU HA H 4.070 0.237 -6.276 1.00 . A A . 10 GLU HA 1 1 14 9016 1 1 10 GLU HB2 H 3.331 -1.820 -8.299 1.00 . A A . 10 GLU HB2 1 1 14 9017 1 1 10 GLU HB3 H 3.838 -0.149 -8.530 1.00 . A A . 10 GLU HB3 1 1 14 9018 1 1 10 GLU HG2 H 6.184 -0.820 -8.033 1.00 . A A . 10 GLU HG2 1 1 14 9019 1 1 10 GLU HG3 H 5.651 -2.496 -7.893 1.00 . A A . 10 GLU HG3 1 1 14 9020 1 1 10 GLU N N 4.941 -1.617 -5.729 1.00 . A A . 10 GLU N 1 1 14 9021 1 1 10 GLU O O 2.423 -2.089 -5.141 1.00 . A A . 10 GLU O 1 1 14 9022 1 1 10 GLU OE1 O 5.208 -0.764 -10.584 1.00 . A A . 10 GLU OE1 1 1 14 9023 1 1 10 GLU OE2 O 5.991 -2.755 -10.331 1.00 . A A . 10 GLU OE2 1 1 14 9024 1 1 11 LYS C C -0.045 -2.641 -6.342 1.00 . A A . 11 LYS C 1 1 14 9025 1 1 11 LYS CA C 0.138 -1.137 -6.101 1.00 . A A . 11 LYS CA 1 1 14 9026 1 1 11 LYS CB C -0.952 -0.336 -6.841 1.00 . A A . 11 LYS CB 1 1 14 9027 1 1 11 LYS CD C -3.477 -0.225 -6.795 1.00 . A A . 11 LYS CD 1 1 14 9028 1 1 11 LYS CE C -4.746 -0.988 -7.196 1.00 . A A . 11 LYS CE 1 1 14 9029 1 1 11 LYS CG C -2.262 -1.149 -6.921 1.00 . A A . 11 LYS CG 1 1 14 9030 1 1 11 LYS H H 1.585 -0.041 -7.268 1.00 . A A . 11 LYS H 1 1 14 9031 1 1 11 LYS HA H 0.058 -0.944 -5.042 1.00 . A A . 11 LYS HA 1 1 14 9032 1 1 11 LYS HB2 H -1.132 0.591 -6.315 1.00 . A A . 11 LYS HB2 1 1 14 9033 1 1 11 LYS HB3 H -0.610 -0.115 -7.841 1.00 . A A . 11 LYS HB3 1 1 14 9034 1 1 11 LYS HD2 H -3.567 0.110 -5.770 1.00 . A A . 11 LYS HD2 1 1 14 9035 1 1 11 LYS HD3 H -3.349 0.629 -7.443 1.00 . A A . 11 LYS HD3 1 1 14 9036 1 1 11 LYS HE2 H -4.952 -0.817 -8.244 1.00 . A A . 11 LYS HE2 1 1 14 9037 1 1 11 LYS HE3 H -4.608 -2.046 -7.025 1.00 . A A . 11 LYS HE3 1 1 14 9038 1 1 11 LYS HG2 H -2.307 -1.661 -7.871 1.00 . A A . 11 LYS HG2 1 1 14 9039 1 1 11 LYS HG3 H -2.292 -1.875 -6.122 1.00 . A A . 11 LYS HG3 1 1 14 9040 1 1 11 LYS HZ1 H -5.955 -1.053 -5.508 1.00 . A A . 11 LYS HZ1 1 1 14 9041 1 1 11 LYS HZ2 H -6.778 -0.619 -6.926 1.00 . A A . 11 LYS HZ2 1 1 14 9042 1 1 11 LYS HZ3 H -5.758 0.505 -6.159 1.00 . A A . 11 LYS HZ3 1 1 14 9043 1 1 11 LYS N N 1.490 -0.714 -6.562 1.00 . A A . 11 LYS N 1 1 14 9044 1 1 11 LYS NZ N -5.896 -0.502 -6.386 1.00 . A A . 11 LYS NZ 1 1 14 9045 1 1 11 LYS O O -0.566 -3.345 -5.501 1.00 . A A . 11 LYS O 1 1 14 9046 1 1 12 LYS C C 1.140 -5.419 -6.900 1.00 . A A . 12 LYS C 1 1 14 9047 1 1 12 LYS CA C 0.177 -4.580 -7.748 1.00 . A A . 12 LYS CA 1 1 14 9048 1 1 12 LYS CB C 0.421 -4.820 -9.219 1.00 . A A . 12 LYS CB 1 1 14 9049 1 1 12 LYS CD C -0.789 -4.477 -11.407 1.00 . A A . 12 LYS CD 1 1 14 9050 1 1 12 LYS CE C 0.435 -4.461 -12.322 1.00 . A A . 12 LYS CE 1 1 14 9051 1 1 12 LYS CG C -0.437 -3.852 -10.051 1.00 . A A . 12 LYS CG 1 1 14 9052 1 1 12 LYS H H 0.759 -2.577 -8.158 1.00 . A A . 12 LYS H 1 1 14 9053 1 1 12 LYS HA H -0.824 -4.859 -7.523 1.00 . A A . 12 LYS HA 1 1 14 9054 1 1 12 LYS HB2 H 1.452 -4.660 -9.422 1.00 . A A . 12 LYS HB2 1 1 14 9055 1 1 12 LYS HB3 H 0.161 -5.822 -9.453 1.00 . A A . 12 LYS HB3 1 1 14 9056 1 1 12 LYS HD2 H -1.116 -5.496 -11.264 1.00 . A A . 12 LYS HD2 1 1 14 9057 1 1 12 LYS HD3 H -1.583 -3.908 -11.867 1.00 . A A . 12 LYS HD3 1 1 14 9058 1 1 12 LYS HE2 H 0.778 -3.444 -12.453 1.00 . A A . 12 LYS HE2 1 1 14 9059 1 1 12 LYS HE3 H 1.222 -5.052 -11.879 1.00 . A A . 12 LYS HE3 1 1 14 9060 1 1 12 LYS HG2 H -1.348 -3.626 -9.517 1.00 . A A . 12 LYS HG2 1 1 14 9061 1 1 12 LYS HG3 H 0.116 -2.937 -10.214 1.00 . A A . 12 LYS HG3 1 1 14 9062 1 1 12 LYS HZ1 H -0.527 -4.358 -14.165 1.00 . A A . 12 LYS HZ1 1 1 14 9063 1 1 12 LYS HZ2 H -0.467 -5.919 -13.504 1.00 . A A . 12 LYS HZ2 1 1 14 9064 1 1 12 LYS HZ3 H 0.928 -5.235 -14.195 1.00 . A A . 12 LYS HZ3 1 1 14 9065 1 1 12 LYS N N 0.354 -3.142 -7.476 1.00 . A A . 12 LYS N 1 1 14 9066 1 1 12 LYS NZ N 0.065 -5.036 -13.646 1.00 . A A . 12 LYS NZ 1 1 14 9067 1 1 12 LYS O O 1.032 -6.628 -6.845 1.00 . A A . 12 LYS O 1 1 14 9068 1 1 13 ASP C C 2.614 -5.515 -3.923 1.00 . A A . 13 ASP C 1 1 14 9069 1 1 13 ASP CA C 3.039 -5.571 -5.398 1.00 . A A . 13 ASP CA 1 1 14 9070 1 1 13 ASP CB C 4.444 -4.985 -5.566 1.00 . A A . 13 ASP CB 1 1 14 9071 1 1 13 ASP CG C 5.305 -5.920 -6.426 1.00 . A A . 13 ASP CG 1 1 14 9072 1 1 13 ASP H H 2.157 -3.825 -6.288 1.00 . A A . 13 ASP H 1 1 14 9073 1 1 13 ASP HA H 3.041 -6.602 -5.720 1.00 . A A . 13 ASP HA 1 1 14 9074 1 1 13 ASP HB2 H 4.369 -4.029 -6.053 1.00 . A A . 13 ASP HB2 1 1 14 9075 1 1 13 ASP HB3 H 4.902 -4.860 -4.600 1.00 . A A . 13 ASP HB3 1 1 14 9076 1 1 13 ASP N N 2.079 -4.798 -6.237 1.00 . A A . 13 ASP N 1 1 14 9077 1 1 13 ASP O O 3.330 -5.965 -3.055 1.00 . A A . 13 ASP O 1 1 14 9078 1 1 13 ASP OD1 O 5.211 -7.122 -6.241 1.00 . A A . 13 ASP OD1 1 1 14 9079 1 1 13 ASP OD2 O 6.047 -5.416 -7.252 1.00 . A A . 13 ASP OD2 1 1 14 9080 1 1 14 CYS C C -0.021 -6.088 -2.017 1.00 . A A . 14 CYS C 1 1 14 9081 1 1 14 CYS CA C 0.981 -4.950 -2.213 1.00 . A A . 14 CYS CA 1 1 14 9082 1 1 14 CYS CB C 0.299 -3.614 -1.921 1.00 . A A . 14 CYS CB 1 1 14 9083 1 1 14 CYS H H 0.878 -4.648 -4.349 1.00 . A A . 14 CYS H 1 1 14 9084 1 1 14 CYS HA H 1.821 -5.086 -1.544 1.00 . A A . 14 CYS HA 1 1 14 9085 1 1 14 CYS HB2 H 0.909 -2.813 -2.285 1.00 . A A . 14 CYS HB2 1 1 14 9086 1 1 14 CYS HB3 H -0.664 -3.587 -2.409 1.00 . A A . 14 CYS HB3 1 1 14 9087 1 1 14 CYS N N 1.450 -4.992 -3.634 1.00 . A A . 14 CYS N 1 1 14 9088 1 1 14 CYS O O -0.882 -6.310 -2.845 1.00 . A A . 14 CYS O 1 1 14 9089 1 1 14 CYS SG S 0.073 -3.413 -0.141 1.00 . A A . 14 CYS SG 1 1 14 9090 1 1 15 CYS C C -2.295 -7.440 -0.760 1.00 . A A . 15 CYS C 1 1 14 9091 1 1 15 CYS CA C -0.861 -7.951 -0.735 1.00 . A A . 15 CYS CA 1 1 14 9092 1 1 15 CYS CB C -0.553 -8.638 0.599 1.00 . A A . 15 CYS CB 1 1 14 9093 1 1 15 CYS H H 0.789 -6.644 -0.290 1.00 . A A . 15 CYS H 1 1 14 9094 1 1 15 CYS HA H -0.741 -8.664 -1.536 1.00 . A A . 15 CYS HA 1 1 14 9095 1 1 15 CYS HB2 H 0.265 -8.128 1.085 1.00 . A A . 15 CYS HB2 1 1 14 9096 1 1 15 CYS HB3 H -1.424 -8.608 1.237 1.00 . A A . 15 CYS HB3 1 1 14 9097 1 1 15 CYS N N 0.084 -6.823 -0.946 1.00 . A A . 15 CYS N 1 1 14 9098 1 1 15 CYS O O -2.597 -6.345 -0.323 1.00 . A A . 15 CYS O 1 1 14 9099 1 1 15 CYS SG S -0.089 -10.366 0.291 1.00 . A A . 15 CYS SG 1 1 14 9100 1 1 16 CYS C C -5.039 -7.301 0.080 1.00 . A A . 16 CYS C 1 1 14 9101 1 1 16 CYS CA C -4.590 -7.834 -1.349 1.00 . A A . 16 CYS CA 1 1 14 9102 1 1 16 CYS CB C -5.400 -9.057 -1.737 1.00 . A A . 16 CYS CB 1 1 14 9103 1 1 16 CYS H H -2.912 -9.112 -1.621 1.00 . A A . 16 CYS H 1 1 14 9104 1 1 16 CYS HA H -4.712 -7.069 -2.094 1.00 . A A . 16 CYS HA 1 1 14 9105 1 1 16 CYS HB2 H -5.144 -9.880 -1.085 1.00 . A A . 16 CYS HB2 1 1 14 9106 1 1 16 CYS HB3 H -6.435 -8.837 -1.639 1.00 . A A . 16 CYS HB3 1 1 14 9107 1 1 16 CYS N N -3.179 -8.237 -1.275 1.00 . A A . 16 CYS N 1 1 14 9108 1 1 16 CYS O O -4.701 -7.836 1.043 1.00 . A A . 16 CYS O 1 1 14 9109 1 1 16 CYS SG S -5.029 -9.505 -3.451 1.00 . A A . 16 CYS SG 1 1 14 9110 1 1 17 GLY C C -5.237 -4.569 1.719 1.00 . A A . 17 GLY C 1 1 14 9111 1 1 17 GLY CA C -6.243 -5.634 1.286 1.00 . A A . 17 GLY CA 1 1 14 9112 1 1 17 GLY H H -6.024 -5.809 -0.849 1.00 . A A . 17 GLY H 1 1 14 9113 1 1 17 GLY HA2 H -7.215 -5.183 1.147 1.00 . A A . 17 GLY HA2 1 1 14 9114 1 1 17 GLY HA3 H -6.303 -6.398 2.047 1.00 . A A . 17 GLY HA3 1 1 14 9115 1 1 17 GLY N N -5.782 -6.231 0.030 1.00 . A A . 17 GLY N 1 1 14 9116 1 1 17 GLY O O -5.376 -3.959 2.759 1.00 . A A . 17 GLY O 1 1 14 9117 1 1 18 TYR C C -2.815 -2.484 0.057 1.00 . A A . 18 TYR C 1 1 14 9118 1 1 18 TYR CA C -3.194 -3.318 1.285 1.00 . A A . 18 TYR CA 1 1 14 9119 1 1 18 TYR CB C -1.943 -4.001 1.817 1.00 . A A . 18 TYR CB 1 1 14 9120 1 1 18 TYR CD1 C -2.402 -3.988 4.270 1.00 . A A . 18 TYR CD1 1 1 14 9121 1 1 18 TYR CD2 C -2.404 -6.101 3.090 1.00 . A A . 18 TYR CD2 1 1 14 9122 1 1 18 TYR CE1 C -2.697 -4.649 5.464 1.00 . A A . 18 TYR CE1 1 1 14 9123 1 1 18 TYR CE2 C -2.700 -6.770 4.282 1.00 . A A . 18 TYR CE2 1 1 14 9124 1 1 18 TYR CG C -2.257 -4.716 3.091 1.00 . A A . 18 TYR CG 1 1 14 9125 1 1 18 TYR CZ C -2.847 -6.043 5.472 1.00 . A A . 18 TYR CZ 1 1 14 9126 1 1 18 TYR H H -4.118 -4.883 0.051 1.00 . A A . 18 TYR H 1 1 14 9127 1 1 18 TYR HA H -3.591 -2.664 2.047 1.00 . A A . 18 TYR HA 1 1 14 9128 1 1 18 TYR HB2 H -1.585 -4.715 1.090 1.00 . A A . 18 TYR HB2 1 1 14 9129 1 1 18 TYR HB3 H -1.188 -3.260 2.005 1.00 . A A . 18 TYR HB3 1 1 14 9130 1 1 18 TYR HD1 H -2.284 -2.914 4.256 1.00 . A A . 18 TYR HD1 1 1 14 9131 1 1 18 TYR HD2 H -2.284 -6.652 2.165 1.00 . A A . 18 TYR HD2 1 1 14 9132 1 1 18 TYR HE1 H -2.811 -4.085 6.376 1.00 . A A . 18 TYR HE1 1 1 14 9133 1 1 18 TYR HE2 H -2.815 -7.845 4.286 1.00 . A A . 18 TYR HE2 1 1 14 9134 1 1 18 TYR HH H -3.083 -6.059 7.365 1.00 . A A . 18 TYR HH 1 1 14 9135 1 1 18 TYR N N -4.216 -4.347 0.925 1.00 . A A . 18 TYR N 1 1 14 9136 1 1 18 TYR O O -2.829 -2.960 -1.060 1.00 . A A . 18 TYR O 1 1 14 9137 1 1 18 TYR OH O -3.138 -6.698 6.650 1.00 . A A . 18 TYR OH 1 1 14 9138 1 1 19 ASN C C -0.548 -0.107 -0.820 1.00 . A A . 19 ASN C 1 1 14 9139 1 1 19 ASN CA C -2.060 -0.361 -0.875 1.00 . A A . 19 ASN CA 1 1 14 9140 1 1 19 ASN CB C -2.779 0.976 -0.746 1.00 . A A . 19 ASN CB 1 1 14 9141 1 1 19 ASN CG C -2.070 1.814 0.320 1.00 . A A . 19 ASN CG 1 1 14 9142 1 1 19 ASN H H -2.450 -0.886 1.181 1.00 . A A . 19 ASN H 1 1 14 9143 1 1 19 ASN HA H -2.320 -0.827 -1.814 1.00 . A A . 19 ASN HA 1 1 14 9144 1 1 19 ASN HB2 H -2.752 1.494 -1.694 1.00 . A A . 19 ASN HB2 1 1 14 9145 1 1 19 ASN HB3 H -3.802 0.810 -0.451 1.00 . A A . 19 ASN HB3 1 1 14 9146 1 1 19 ASN HD21 H -1.242 3.050 -0.991 1.00 . A A . 19 ASN HD21 1 1 14 9147 1 1 19 ASN HD22 H -0.877 3.367 0.635 1.00 . A A . 19 ASN HD22 1 1 14 9148 1 1 19 ASN N N -2.461 -1.242 0.266 1.00 . A A . 19 ASN N 1 1 14 9149 1 1 19 ASN ND2 N -1.337 2.828 -0.042 1.00 . A A . 19 ASN ND2 1 1 14 9150 1 1 19 ASN O O 0.077 -0.305 0.196 1.00 . A A . 19 ASN O 1 1 14 9151 1 1 19 ASN OD1 O -2.177 1.531 1.495 1.00 . A A . 19 ASN OD1 1 1 14 9152 1 1 20 CYS C C 1.744 2.156 -1.874 1.00 . A A . 20 CYS C 1 1 14 9153 1 1 20 CYS CA C 1.506 0.639 -1.901 1.00 . A A . 20 CYS CA 1 1 14 9154 1 1 20 CYS CB C 2.126 0.048 -3.168 1.00 . A A . 20 CYS CB 1 1 14 9155 1 1 20 CYS H H -0.495 0.519 -2.704 1.00 . A A . 20 CYS H 1 1 14 9156 1 1 20 CYS HA H 1.962 0.186 -1.033 1.00 . A A . 20 CYS HA 1 1 14 9157 1 1 20 CYS HB2 H 1.934 -1.011 -3.199 1.00 . A A . 20 CYS HB2 1 1 14 9158 1 1 20 CYS HB3 H 1.685 0.512 -4.027 1.00 . A A . 20 CYS HB3 1 1 14 9159 1 1 20 CYS N N 0.036 0.350 -1.897 1.00 . A A . 20 CYS N 1 1 14 9160 1 1 20 CYS O O 1.127 2.900 -2.612 1.00 . A A . 20 CYS O 1 1 14 9161 1 1 20 CYS SG S 3.915 0.328 -3.186 1.00 . A A . 20 CYS SG 1 1 14 9162 1 1 21 VAL C C 4.445 4.319 -0.838 1.00 . A A . 21 VAL C 1 1 14 9163 1 1 21 VAL CA C 2.931 4.093 -0.970 1.00 . A A . 21 VAL CA 1 1 14 9164 1 1 21 VAL CB C 2.183 4.714 0.224 1.00 . A A . 21 VAL CB 1 1 14 9165 1 1 21 VAL CG1 C 2.786 4.240 1.563 1.00 . A A . 21 VAL CG1 1 1 14 9166 1 1 21 VAL CG2 C 2.278 6.244 0.134 1.00 . A A . 21 VAL CG2 1 1 14 9167 1 1 21 VAL H H 3.135 2.002 -0.458 1.00 . A A . 21 VAL H 1 1 14 9168 1 1 21 VAL HA H 2.590 4.561 -1.883 1.00 . A A . 21 VAL HA 1 1 14 9169 1 1 21 VAL HB H 1.145 4.422 0.179 1.00 . A A . 21 VAL HB 1 1 14 9170 1 1 21 VAL HG11 H 2.014 3.769 2.155 1.00 . A A . 21 VAL HG11 1 1 14 9171 1 1 21 VAL HG12 H 3.182 5.085 2.106 1.00 . A A . 21 VAL HG12 1 1 14 9172 1 1 21 VAL HG13 H 3.577 3.530 1.384 1.00 . A A . 21 VAL HG13 1 1 14 9173 1 1 21 VAL HG21 H 3.277 6.530 -0.161 1.00 . A A . 21 VAL HG21 1 1 14 9174 1 1 21 VAL HG22 H 2.051 6.677 1.097 1.00 . A A . 21 VAL HG22 1 1 14 9175 1 1 21 VAL HG23 H 1.571 6.606 -0.598 1.00 . A A . 21 VAL HG23 1 1 14 9176 1 1 21 VAL N N 2.643 2.621 -1.038 1.00 . A A . 21 VAL N 1 1 14 9177 1 1 21 VAL O O 5.132 3.578 -0.169 1.00 . A A . 21 VAL O 1 1 14 9178 1 1 22 TYR C C 6.790 6.396 -0.164 1.00 . A A . 22 TYR C 1 1 14 9179 1 1 22 TYR CA C 6.448 5.577 -1.413 1.00 . A A . 22 TYR CA 1 1 14 9180 1 1 22 TYR CB C 6.896 6.329 -2.674 1.00 . A A . 22 TYR CB 1 1 14 9181 1 1 22 TYR CD1 C 9.173 5.203 -2.583 1.00 . A A . 22 TYR CD1 1 1 14 9182 1 1 22 TYR CD2 C 9.062 7.578 -3.056 1.00 . A A . 22 TYR CD2 1 1 14 9183 1 1 22 TYR CE1 C 10.570 5.249 -2.681 1.00 . A A . 22 TYR CE1 1 1 14 9184 1 1 22 TYR CE2 C 10.459 7.621 -3.158 1.00 . A A . 22 TYR CE2 1 1 14 9185 1 1 22 TYR CG C 8.413 6.368 -2.769 1.00 . A A . 22 TYR CG 1 1 14 9186 1 1 22 TYR CZ C 11.212 6.455 -2.970 1.00 . A A . 22 TYR CZ 1 1 14 9187 1 1 22 TYR H H 4.374 5.946 -2.052 1.00 . A A . 22 TYR H 1 1 14 9188 1 1 22 TYR HA H 6.955 4.632 -1.365 1.00 . A A . 22 TYR HA 1 1 14 9189 1 1 22 TYR HB2 H 6.498 5.829 -3.545 1.00 . A A . 22 TYR HB2 1 1 14 9190 1 1 22 TYR HB3 H 6.515 7.339 -2.638 1.00 . A A . 22 TYR HB3 1 1 14 9191 1 1 22 TYR HD1 H 8.686 4.270 -2.362 1.00 . A A . 22 TYR HD1 1 1 14 9192 1 1 22 TYR HD2 H 8.482 8.477 -3.201 1.00 . A A . 22 TYR HD2 1 1 14 9193 1 1 22 TYR HE1 H 11.150 4.352 -2.534 1.00 . A A . 22 TYR HE1 1 1 14 9194 1 1 22 TYR HE2 H 10.957 8.554 -3.379 1.00 . A A . 22 TYR HE2 1 1 14 9195 1 1 22 TYR HH H 12.877 5.676 -3.492 1.00 . A A . 22 TYR HH 1 1 14 9196 1 1 22 TYR N N 4.973 5.327 -1.489 1.00 . A A . 22 TYR N 1 1 14 9197 1 1 22 TYR O O 6.229 7.447 0.080 1.00 . A A . 22 TYR O 1 1 14 9198 1 1 22 TYR OH O 12.589 6.494 -3.074 1.00 . A A . 22 TYR OH 1 1 14 9199 1 1 23 ALA C C 9.343 7.508 1.581 1.00 . A A . 23 ALA C 1 1 14 9200 1 1 23 ALA CA C 8.107 6.649 1.869 1.00 . A A . 23 ALA CA 1 1 14 9201 1 1 23 ALA CB C 8.425 5.636 2.973 1.00 . A A . 23 ALA CB 1 1 14 9202 1 1 23 ALA H H 8.150 5.065 0.410 1.00 . A A . 23 ALA H 1 1 14 9203 1 1 23 ALA HA H 7.294 7.286 2.185 1.00 . A A . 23 ALA HA 1 1 14 9204 1 1 23 ALA HB1 H 7.837 4.743 2.820 1.00 . A A . 23 ALA HB1 1 1 14 9205 1 1 23 ALA HB2 H 8.182 6.062 3.931 1.00 . A A . 23 ALA HB2 1 1 14 9206 1 1 23 ALA HB3 H 9.474 5.384 2.946 1.00 . A A . 23 ALA HB3 1 1 14 9207 1 1 23 ALA N N 7.713 5.914 0.630 1.00 . A A . 23 ALA N 1 1 14 9208 1 1 23 ALA O O 10.464 7.043 1.640 1.00 . A A . 23 ALA O 1 1 14 9209 1 1 24 TRP C C 11.321 9.629 2.095 1.00 . A A . 24 TRP C 1 1 14 9210 1 1 24 TRP CA C 10.292 9.651 0.953 1.00 . A A . 24 TRP CA 1 1 14 9211 1 1 24 TRP CB C 9.776 11.085 0.749 1.00 . A A . 24 TRP CB 1 1 14 9212 1 1 24 TRP CD1 C 7.966 11.137 2.508 1.00 . A A . 24 TRP CD1 1 1 14 9213 1 1 24 TRP CD2 C 7.143 11.304 0.420 1.00 . A A . 24 TRP CD2 1 1 14 9214 1 1 24 TRP CE2 C 6.034 11.344 1.299 1.00 . A A . 24 TRP CE2 1 1 14 9215 1 1 24 TRP CE3 C 6.894 11.397 -0.961 1.00 . A A . 24 TRP CE3 1 1 14 9216 1 1 24 TRP CG C 8.357 11.172 1.214 1.00 . A A . 24 TRP CG 1 1 14 9217 1 1 24 TRP CH2 C 4.499 11.555 -0.551 1.00 . A A . 24 TRP CH2 1 1 14 9218 1 1 24 TRP CZ2 C 4.727 11.465 0.825 1.00 . A A . 24 TRP CZ2 1 1 14 9219 1 1 24 TRP CZ3 C 5.580 11.519 -1.443 1.00 . A A . 24 TRP CZ3 1 1 14 9220 1 1 24 TRP H H 8.226 9.102 1.212 1.00 . A A . 24 TRP H 1 1 14 9221 1 1 24 TRP HA H 10.769 9.314 0.043 1.00 . A A . 24 TRP HA 1 1 14 9222 1 1 24 TRP HB2 H 10.383 11.776 1.316 1.00 . A A . 24 TRP HB2 1 1 14 9223 1 1 24 TRP HB3 H 9.825 11.341 -0.300 1.00 . A A . 24 TRP HB3 1 1 14 9224 1 1 24 TRP HD1 H 8.622 11.043 3.361 1.00 . A A . 24 TRP HD1 1 1 14 9225 1 1 24 TRP HE1 H 6.051 11.233 3.380 1.00 . A A . 24 TRP HE1 1 1 14 9226 1 1 24 TRP HE3 H 7.720 11.372 -1.657 1.00 . A A . 24 TRP HE3 1 1 14 9227 1 1 24 TRP HH2 H 3.492 11.650 -0.927 1.00 . A A . 24 TRP HH2 1 1 14 9228 1 1 24 TRP HZ2 H 3.897 11.492 1.517 1.00 . A A . 24 TRP HZ2 1 1 14 9229 1 1 24 TRP HZ3 H 5.401 11.589 -2.506 1.00 . A A . 24 TRP HZ3 1 1 14 9230 1 1 24 TRP N N 9.141 8.754 1.261 1.00 . A A . 24 TRP N 1 1 14 9231 1 1 24 TRP NE1 N 6.587 11.236 2.560 1.00 . A A . 24 TRP NE1 1 1 14 9232 1 1 24 TRP O O 12.512 9.640 1.855 1.00 . A A . 24 TRP O 1 1 14 9233 1 1 25 TYR C C 12.737 8.356 4.413 1.00 . A A . 25 TYR C 1 1 14 9234 1 1 25 TYR CA C 11.884 9.627 4.449 1.00 . A A . 25 TYR CA 1 1 14 9235 1 1 25 TYR CB C 11.179 9.770 5.805 1.00 . A A . 25 TYR CB 1 1 14 9236 1 1 25 TYR CD1 C 9.008 8.487 5.692 1.00 . A A . 25 TYR CD1 1 1 14 9237 1 1 25 TYR CD2 C 10.873 7.515 6.901 1.00 . A A . 25 TYR CD2 1 1 14 9238 1 1 25 TYR CE1 C 8.220 7.376 6.019 1.00 . A A . 25 TYR CE1 1 1 14 9239 1 1 25 TYR CE2 C 10.083 6.409 7.233 1.00 . A A . 25 TYR CE2 1 1 14 9240 1 1 25 TYR CG C 10.337 8.557 6.130 1.00 . A A . 25 TYR CG 1 1 14 9241 1 1 25 TYR CZ C 8.759 6.338 6.790 1.00 . A A . 25 TYR CZ 1 1 14 9242 1 1 25 TYR H H 9.879 9.613 3.532 1.00 . A A . 25 TYR H 1 1 14 9243 1 1 25 TYR HA H 12.539 10.475 4.314 1.00 . A A . 25 TYR HA 1 1 14 9244 1 1 25 TYR HB2 H 11.922 9.896 6.577 1.00 . A A . 25 TYR HB2 1 1 14 9245 1 1 25 TYR HB3 H 10.544 10.644 5.780 1.00 . A A . 25 TYR HB3 1 1 14 9246 1 1 25 TYR HD1 H 8.592 9.288 5.098 1.00 . A A . 25 TYR HD1 1 1 14 9247 1 1 25 TYR HD2 H 11.898 7.566 7.238 1.00 . A A . 25 TYR HD2 1 1 14 9248 1 1 25 TYR HE1 H 7.198 7.319 5.677 1.00 . A A . 25 TYR HE1 1 1 14 9249 1 1 25 TYR HE2 H 10.493 5.608 7.832 1.00 . A A . 25 TYR HE2 1 1 14 9250 1 1 25 TYR HH H 8.288 4.500 6.602 1.00 . A A . 25 TYR HH 1 1 14 9251 1 1 25 TYR N N 10.890 9.622 3.332 1.00 . A A . 25 TYR N 1 1 14 9252 1 1 25 TYR O O 13.946 8.419 4.517 1.00 . A A . 25 TYR O 1 1 14 9253 1 1 25 TYR OH O 7.980 5.248 7.118 1.00 . A A . 25 TYR OH 1 1 14 9254 1 1 26 ASN C C 13.282 5.635 2.732 1.00 . A A . 26 ASN C 1 1 14 9255 1 1 26 ASN CA C 12.952 5.955 4.193 1.00 . A A . 26 ASN CA 1 1 14 9256 1 1 26 ASN CB C 12.165 4.788 4.810 1.00 . A A . 26 ASN CB 1 1 14 9257 1 1 26 ASN CG C 12.555 4.610 6.283 1.00 . A A . 26 ASN CG 1 1 14 9258 1 1 26 ASN H H 11.163 7.170 4.157 1.00 . A A . 26 ASN H 1 1 14 9259 1 1 26 ASN HA H 13.874 6.100 4.739 1.00 . A A . 26 ASN HA 1 1 14 9260 1 1 26 ASN HB2 H 11.109 4.994 4.743 1.00 . A A . 26 ASN HB2 1 1 14 9261 1 1 26 ASN HB3 H 12.388 3.877 4.272 1.00 . A A . 26 ASN HB3 1 1 14 9262 1 1 26 ASN HD21 H 11.027 3.408 6.686 1.00 . A A . 26 ASN HD21 1 1 14 9263 1 1 26 ASN HD22 H 12.059 3.732 7.993 1.00 . A A . 26 ASN HD22 1 1 14 9264 1 1 26 ASN N N 12.138 7.208 4.251 1.00 . A A . 26 ASN N 1 1 14 9265 1 1 26 ASN ND2 N 11.819 3.854 7.051 1.00 . A A . 26 ASN ND2 1 1 14 9266 1 1 26 ASN O O 13.921 4.646 2.438 1.00 . A A . 26 ASN O 1 1 14 9267 1 1 26 ASN OD1 O 13.542 5.154 6.736 1.00 . A A . 26 ASN OD1 1 1 14 9268 1 1 27 GLN C C 12.642 4.814 -0.070 1.00 . A A . 27 GLN C 1 1 14 9269 1 1 27 GLN CA C 13.159 6.201 0.380 1.00 . A A . 27 GLN CA 1 1 14 9270 1 1 27 GLN CB C 14.670 6.282 0.142 1.00 . A A . 27 GLN CB 1 1 14 9271 1 1 27 GLN CD C 14.556 8.684 -0.549 1.00 . A A . 27 GLN CD 1 1 14 9272 1 1 27 GLN CG C 15.158 7.700 0.456 1.00 . A A . 27 GLN CG 1 1 14 9273 1 1 27 GLN H H 12.349 7.257 2.072 1.00 . A A . 27 GLN H 1 1 14 9274 1 1 27 GLN HA H 12.661 6.946 -0.225 1.00 . A A . 27 GLN HA 1 1 14 9275 1 1 27 GLN HB2 H 15.177 5.576 0.783 1.00 . A A . 27 GLN HB2 1 1 14 9276 1 1 27 GLN HB3 H 14.885 6.053 -0.890 1.00 . A A . 27 GLN HB3 1 1 14 9277 1 1 27 GLN HE21 H 13.847 9.902 0.850 1.00 . A A . 27 GLN HE21 1 1 14 9278 1 1 27 GLN HE22 H 13.545 10.382 -0.750 1.00 . A A . 27 GLN HE22 1 1 14 9279 1 1 27 GLN HG2 H 14.850 7.971 1.455 1.00 . A A . 27 GLN HG2 1 1 14 9280 1 1 27 GLN HG3 H 16.234 7.733 0.388 1.00 . A A . 27 GLN HG3 1 1 14 9281 1 1 27 GLN N N 12.862 6.462 1.816 1.00 . A A . 27 GLN N 1 1 14 9282 1 1 27 GLN NE2 N 13.930 9.743 -0.113 1.00 . A A . 27 GLN NE2 1 1 14 9283 1 1 27 GLN O O 12.883 4.335 -1.096 1.00 . A A . 27 GLN O 1 1 14 9284 1 1 27 GLN OE1 O 14.656 8.488 -1.744 1.00 . A A . 27 GLN OE1 1 1 14 9285 1 1 28 GLN C C 9.828 2.931 0.623 1.00 . A A . 28 GLN C 1 1 14 9286 1 1 28 GLN CA C 11.350 2.830 0.553 1.00 . A A . 28 GLN CA 1 1 14 9287 1 1 28 GLN CB C 11.827 1.786 1.566 1.00 . A A . 28 GLN CB 1 1 14 9288 1 1 28 GLN CD C 13.776 0.415 2.301 1.00 . A A . 28 GLN CD 1 1 14 9289 1 1 28 GLN CG C 13.349 1.656 1.515 1.00 . A A . 28 GLN CG 1 1 14 9290 1 1 28 GLN H H 11.721 4.591 1.738 1.00 . A A . 28 GLN H 1 1 14 9291 1 1 28 GLN HA H 11.646 2.534 -0.444 1.00 . A A . 28 GLN HA 1 1 14 9292 1 1 28 GLN HB2 H 11.525 2.085 2.559 1.00 . A A . 28 GLN HB2 1 1 14 9293 1 1 28 GLN HB3 H 11.381 0.830 1.330 1.00 . A A . 28 GLN HB3 1 1 14 9294 1 1 28 GLN HE21 H 12.898 1.003 3.983 1.00 . A A . 28 GLN HE21 1 1 14 9295 1 1 28 GLN HE22 H 13.694 -0.494 4.064 1.00 . A A . 28 GLN HE22 1 1 14 9296 1 1 28 GLN HG2 H 13.672 1.566 0.488 1.00 . A A . 28 GLN HG2 1 1 14 9297 1 1 28 GLN HG3 H 13.799 2.527 1.959 1.00 . A A . 28 GLN HG3 1 1 14 9298 1 1 28 GLN N N 11.914 4.176 0.872 1.00 . A A . 28 GLN N 1 1 14 9299 1 1 28 GLN NE2 N 13.428 0.299 3.554 1.00 . A A . 28 GLN NE2 1 1 14 9300 1 1 28 GLN O O 9.288 3.783 1.295 1.00 . A A . 28 GLN O 1 1 14 9301 1 1 28 GLN OE1 O 14.412 -0.469 1.764 1.00 . A A . 28 GLN OE1 1 1 14 9302 1 1 29 SER C C 7.094 1.260 1.072 1.00 . A A . 29 SER C 1 1 14 9303 1 1 29 SER CA C 7.640 2.153 -0.039 1.00 . A A . 29 SER CA 1 1 14 9304 1 1 29 SER CB C 7.093 1.677 -1.373 1.00 . A A . 29 SER CB 1 1 14 9305 1 1 29 SER H H 9.579 1.405 -0.617 1.00 . A A . 29 SER H 1 1 14 9306 1 1 29 SER HA H 7.332 3.168 0.135 1.00 . A A . 29 SER HA 1 1 14 9307 1 1 29 SER HB2 H 7.196 0.613 -1.436 1.00 . A A . 29 SER HB2 1 1 14 9308 1 1 29 SER HB3 H 6.052 1.936 -1.438 1.00 . A A . 29 SER HB3 1 1 14 9309 1 1 29 SER HG H 8.619 1.773 -2.577 1.00 . A A . 29 SER HG 1 1 14 9310 1 1 29 SER N N 9.128 2.083 -0.070 1.00 . A A . 29 SER N 1 1 14 9311 1 1 29 SER O O 7.755 0.358 1.526 1.00 . A A . 29 SER O 1 1 14 9312 1 1 29 SER OG O 7.819 2.282 -2.433 1.00 . A A . 29 SER OG 1 1 14 9313 1 1 30 SER C C 3.807 0.439 2.342 1.00 . A A . 30 SER C 1 1 14 9314 1 1 30 SER CA C 5.302 0.660 2.586 1.00 . A A . 30 SER CA 1 1 14 9315 1 1 30 SER CB C 5.500 1.347 3.937 1.00 . A A . 30 SER CB 1 1 14 9316 1 1 30 SER H H 5.364 2.217 1.133 1.00 . A A . 30 SER H 1 1 14 9317 1 1 30 SER HA H 5.798 -0.283 2.591 1.00 . A A . 30 SER HA 1 1 14 9318 1 1 30 SER HB2 H 6.547 1.541 4.096 1.00 . A A . 30 SER HB2 1 1 14 9319 1 1 30 SER HB3 H 4.958 2.286 3.946 1.00 . A A . 30 SER HB3 1 1 14 9320 1 1 30 SER HG H 4.069 0.401 4.856 1.00 . A A . 30 SER HG 1 1 14 9321 1 1 30 SER N N 5.884 1.499 1.511 1.00 . A A . 30 SER N 1 1 14 9322 1 1 30 SER O O 3.071 1.353 2.033 1.00 . A A . 30 SER O 1 1 14 9323 1 1 30 SER OG O 5.017 0.499 4.971 1.00 . A A . 30 SER OG 1 1 14 9324 1 1 31 CYS C C 1.083 -0.425 3.414 1.00 . A A . 31 CYS C 1 1 14 9325 1 1 31 CYS CA C 1.909 -1.076 2.289 1.00 . A A . 31 CYS CA 1 1 14 9326 1 1 31 CYS CB C 1.703 -2.595 2.300 1.00 . A A . 31 CYS CB 1 1 14 9327 1 1 31 CYS H H 3.968 -1.496 2.753 1.00 . A A . 31 CYS H 1 1 14 9328 1 1 31 CYS HA H 1.601 -0.679 1.339 1.00 . A A . 31 CYS HA 1 1 14 9329 1 1 31 CYS HB2 H 2.422 -3.047 2.968 1.00 . A A . 31 CYS HB2 1 1 14 9330 1 1 31 CYS HB3 H 0.709 -2.824 2.643 1.00 . A A . 31 CYS HB3 1 1 14 9331 1 1 31 CYS N N 3.355 -0.777 2.494 1.00 . A A . 31 CYS N 1 1 14 9332 1 1 31 CYS O O 1.548 -0.294 4.528 1.00 . A A . 31 CYS O 1 1 14 9333 1 1 31 CYS SG S 1.937 -3.262 0.627 1.00 . A A . 31 CYS SG 1 1 14 9334 1 1 32 GLU C C -2.432 0.179 4.126 1.00 . A A . 32 GLU C 1 1 14 9335 1 1 32 GLU CA C -0.972 0.607 4.221 1.00 . A A . 32 GLU CA 1 1 14 9336 1 1 32 GLU CB C -0.911 2.128 4.137 1.00 . A A . 32 GLU CB 1 1 14 9337 1 1 32 GLU CD C 0.333 2.070 6.308 1.00 . A A . 32 GLU CD 1 1 14 9338 1 1 32 GLU CG C 0.323 2.619 4.876 1.00 . A A . 32 GLU CG 1 1 14 9339 1 1 32 GLU H H -0.506 -0.135 2.239 1.00 . A A . 32 GLU H 1 1 14 9340 1 1 32 GLU HA H -0.587 0.305 5.178 1.00 . A A . 32 GLU HA 1 1 14 9341 1 1 32 GLU HB2 H -0.854 2.430 3.102 1.00 . A A . 32 GLU HB2 1 1 14 9342 1 1 32 GLU HB3 H -1.795 2.555 4.590 1.00 . A A . 32 GLU HB3 1 1 14 9343 1 1 32 GLU HG2 H 1.199 2.291 4.353 1.00 . A A . 32 GLU HG2 1 1 14 9344 1 1 32 GLU HG3 H 0.305 3.685 4.911 1.00 . A A . 32 GLU HG3 1 1 14 9345 1 1 32 GLU N N -0.139 -0.020 3.141 1.00 . A A . 32 GLU N 1 1 14 9346 1 1 32 GLU O O -2.990 0.027 3.056 1.00 . A A . 32 GLU O 1 1 14 9347 1 1 32 GLU OE1 O -0.686 2.177 6.972 1.00 . A A . 32 GLU OE1 1 1 14 9348 1 1 32 GLU OE2 O 1.357 1.544 6.710 1.00 . A A . 32 GLU OE2 1 1 14 9349 1 1 33 ARG C C -5.344 0.766 4.732 1.00 . A A . 33 ARG C 1 1 14 9350 1 1 33 ARG CA C -4.483 -0.385 5.298 1.00 . A A . 33 ARG CA 1 1 14 9351 1 1 33 ARG CB C -4.848 -0.758 6.762 1.00 . A A . 33 ARG CB 1 1 14 9352 1 1 33 ARG CD C -5.346 1.464 7.839 1.00 . A A . 33 ARG CD 1 1 14 9353 1 1 33 ARG CG C -5.951 0.136 7.355 1.00 . A A . 33 ARG CG 1 1 14 9354 1 1 33 ARG CZ C -5.569 1.341 10.246 1.00 . A A . 33 ARG CZ 1 1 14 9355 1 1 33 ARG H H -2.571 0.153 6.101 1.00 . A A . 33 ARG H 1 1 14 9356 1 1 33 ARG HA H -4.618 -1.256 4.671 1.00 . A A . 33 ARG HA 1 1 14 9357 1 1 33 ARG HB2 H -5.188 -1.783 6.788 1.00 . A A . 33 ARG HB2 1 1 14 9358 1 1 33 ARG HB3 H -3.960 -0.673 7.372 1.00 . A A . 33 ARG HB3 1 1 14 9359 1 1 33 ARG HD2 H -4.554 1.766 7.167 1.00 . A A . 33 ARG HD2 1 1 14 9360 1 1 33 ARG HD3 H -6.112 2.223 7.857 1.00 . A A . 33 ARG HD3 1 1 14 9361 1 1 33 ARG HE H -3.819 1.155 9.326 1.00 . A A . 33 ARG HE 1 1 14 9362 1 1 33 ARG HG2 H -6.716 0.322 6.619 1.00 . A A . 33 ARG HG2 1 1 14 9363 1 1 33 ARG HG3 H -6.396 -0.370 8.199 1.00 . A A . 33 ARG HG3 1 1 14 9364 1 1 33 ARG HH11 H -7.235 1.616 9.169 1.00 . A A . 33 ARG HH11 1 1 14 9365 1 1 33 ARG HH12 H -7.454 1.555 10.886 1.00 . A A . 33 ARG HH12 1 1 14 9366 1 1 33 ARG HH21 H -4.087 1.078 11.567 1.00 . A A . 33 ARG HH21 1 1 14 9367 1 1 33 ARG HH22 H -5.673 1.250 12.245 1.00 . A A . 33 ARG HH22 1 1 14 9368 1 1 33 ARG N N -3.052 0.050 5.261 1.00 . A A . 33 ARG N 1 1 14 9369 1 1 33 ARG NE N -4.783 1.293 9.207 1.00 . A A . 33 ARG NE 1 1 14 9370 1 1 33 ARG NH1 N -6.854 1.517 10.089 1.00 . A A . 33 ARG NH1 1 1 14 9371 1 1 33 ARG NH2 N -5.071 1.213 11.446 1.00 . A A . 33 ARG NH2 1 1 14 9372 1 1 33 ARG O O -5.762 1.658 5.435 1.00 . A A . 33 ARG O 1 1 14 9373 1 1 34 LYS C C -7.796 1.197 2.445 1.00 . A A . 34 LYS C 1 1 14 9374 1 1 34 LYS CA C -6.462 1.812 2.865 1.00 . A A . 34 LYS CA 1 1 14 9375 1 1 34 LYS CB C -5.778 2.458 1.652 1.00 . A A . 34 LYS CB 1 1 14 9376 1 1 34 LYS CD C -4.156 4.208 0.908 1.00 . A A . 34 LYS CD 1 1 14 9377 1 1 34 LYS CE C -3.191 5.303 1.374 1.00 . A A . 34 LYS CE 1 1 14 9378 1 1 34 LYS CG C -4.639 3.386 2.110 1.00 . A A . 34 LYS CG 1 1 14 9379 1 1 34 LYS H H -5.290 0.038 2.898 1.00 . A A . 34 LYS H 1 1 14 9380 1 1 34 LYS HA H -6.640 2.558 3.607 1.00 . A A . 34 LYS HA 1 1 14 9381 1 1 34 LYS HB2 H -5.375 1.681 1.019 1.00 . A A . 34 LYS HB2 1 1 14 9382 1 1 34 LYS HB3 H -6.504 3.030 1.096 1.00 . A A . 34 LYS HB3 1 1 14 9383 1 1 34 LYS HD2 H -3.655 3.564 0.205 1.00 . A A . 34 LYS HD2 1 1 14 9384 1 1 34 LYS HD3 H -5.004 4.666 0.427 1.00 . A A . 34 LYS HD3 1 1 14 9385 1 1 34 LYS HE2 H -2.897 5.904 0.527 1.00 . A A . 34 LYS HE2 1 1 14 9386 1 1 34 LYS HE3 H -3.685 5.930 2.103 1.00 . A A . 34 LYS HE3 1 1 14 9387 1 1 34 LYS HG2 H -5.003 4.051 2.878 1.00 . A A . 34 LYS HG2 1 1 14 9388 1 1 34 LYS HG3 H -3.814 2.799 2.501 1.00 . A A . 34 LYS HG3 1 1 14 9389 1 1 34 LYS HZ1 H -1.689 3.868 1.426 1.00 . A A . 34 LYS HZ1 1 1 14 9390 1 1 34 LYS HZ2 H -2.202 4.386 2.957 1.00 . A A . 34 LYS HZ2 1 1 14 9391 1 1 34 LYS HZ3 H -1.213 5.391 2.008 1.00 . A A . 34 LYS HZ3 1 1 14 9392 1 1 34 LYS N N -5.618 0.750 3.457 1.00 . A A . 34 LYS N 1 1 14 9393 1 1 34 LYS NZ N -1.982 4.689 1.987 1.00 . A A . 34 LYS NZ 1 1 14 9394 1 1 34 LYS O O -8.661 1.861 1.912 1.00 . A A . 34 LYS O 1 1 14 9395 1 1 35 TRP C C -9.874 -1.357 3.565 1.00 . A A . 35 TRP C 1 1 14 9396 1 1 35 TRP CA C -9.222 -0.779 2.299 1.00 . A A . 35 TRP CA 1 1 14 9397 1 1 35 TRP CB C -8.881 -1.904 1.314 1.00 . A A . 35 TRP CB 1 1 14 9398 1 1 35 TRP CD1 C -6.385 -1.697 1.029 1.00 . A A . 35 TRP CD1 1 1 14 9399 1 1 35 TRP CD2 C -7.516 -0.922 -0.754 1.00 . A A . 35 TRP CD2 1 1 14 9400 1 1 35 TRP CE2 C -6.140 -0.750 -1.038 1.00 . A A . 35 TRP CE2 1 1 14 9401 1 1 35 TRP CE3 C -8.449 -0.509 -1.723 1.00 . A A . 35 TRP CE3 1 1 14 9402 1 1 35 TRP CG C -7.643 -1.532 0.565 1.00 . A A . 35 TRP CG 1 1 14 9403 1 1 35 TRP CH2 C -6.644 0.216 -3.190 1.00 . A A . 35 TRP CH2 1 1 14 9404 1 1 35 TRP CZ2 C -5.704 -0.190 -2.238 1.00 . A A . 35 TRP CZ2 1 1 14 9405 1 1 35 TRP CZ3 C -8.013 0.057 -2.935 1.00 . A A . 35 TRP CZ3 1 1 14 9406 1 1 35 TRP H H -7.238 -0.591 3.106 1.00 . A A . 35 TRP H 1 1 14 9407 1 1 35 TRP HA H -9.902 -0.081 1.830 1.00 . A A . 35 TRP HA 1 1 14 9408 1 1 35 TRP HB2 H -8.711 -2.824 1.856 1.00 . A A . 35 TRP HB2 1 1 14 9409 1 1 35 TRP HB3 H -9.695 -2.040 0.618 1.00 . A A . 35 TRP HB3 1 1 14 9410 1 1 35 TRP HD1 H -6.121 -2.119 1.985 1.00 . A A . 35 TRP HD1 1 1 14 9411 1 1 35 TRP HE1 H -4.516 -1.250 0.170 1.00 . A A . 35 TRP HE1 1 1 14 9412 1 1 35 TRP HE3 H -9.508 -0.627 -1.535 1.00 . A A . 35 TRP HE3 1 1 14 9413 1 1 35 TRP HH2 H -6.315 0.651 -4.122 1.00 . A A . 35 TRP HH2 1 1 14 9414 1 1 35 TRP HZ2 H -4.649 -0.068 -2.429 1.00 . A A . 35 TRP HZ2 1 1 14 9415 1 1 35 TRP HZ3 H -8.738 0.373 -3.671 1.00 . A A . 35 TRP HZ3 1 1 14 9416 1 1 35 TRP N N -7.958 -0.082 2.680 1.00 . A A . 35 TRP N 1 1 14 9417 1 1 35 TRP NE1 N -5.492 -1.239 0.079 1.00 . A A . 35 TRP NE1 1 1 14 9418 1 1 35 TRP O O -9.345 -1.218 4.646 1.00 . A A . 35 TRP O 1 1 14 9419 1 1 36 LYS C C -12.949 -1.660 4.928 1.00 . A A . 36 LYS C 1 1 14 9420 1 1 36 LYS CA C -11.777 -2.576 4.582 1.00 . A A . 36 LYS CA 1 1 14 9421 1 1 36 LYS CB C -10.897 -2.739 5.827 1.00 . A A . 36 LYS CB 1 1 14 9422 1 1 36 LYS CD C -10.815 -5.259 5.786 1.00 . A A . 36 LYS CD 1 1 14 9423 1 1 36 LYS CE C -10.123 -6.277 6.711 1.00 . A A . 36 LYS CE 1 1 14 9424 1 1 36 LYS CG C -9.984 -3.962 5.679 1.00 . A A . 36 LYS CG 1 1 14 9425 1 1 36 LYS H H -11.408 -2.050 2.532 1.00 . A A . 36 LYS H 1 1 14 9426 1 1 36 LYS HA H -12.163 -3.543 4.289 1.00 . A A . 36 LYS HA 1 1 14 9427 1 1 36 LYS HB2 H -10.302 -1.857 5.961 1.00 . A A . 36 LYS HB2 1 1 14 9428 1 1 36 LYS HB3 H -11.528 -2.869 6.691 1.00 . A A . 36 LYS HB3 1 1 14 9429 1 1 36 LYS HD2 H -11.795 -5.028 6.183 1.00 . A A . 36 LYS HD2 1 1 14 9430 1 1 36 LYS HD3 H -10.928 -5.692 4.805 1.00 . A A . 36 LYS HD3 1 1 14 9431 1 1 36 LYS HE2 H -9.103 -5.977 6.897 1.00 . A A . 36 LYS HE2 1 1 14 9432 1 1 36 LYS HE3 H -10.656 -6.331 7.651 1.00 . A A . 36 LYS HE3 1 1 14 9433 1 1 36 LYS HG2 H -9.493 -3.927 4.716 1.00 . A A . 36 LYS HG2 1 1 14 9434 1 1 36 LYS HG3 H -9.241 -3.941 6.460 1.00 . A A . 36 LYS HG3 1 1 14 9435 1 1 36 LYS HZ1 H -11.103 -7.978 6.019 1.00 . A A . 36 LYS HZ1 1 1 14 9436 1 1 36 LYS HZ2 H -9.545 -8.274 6.622 1.00 . A A . 36 LYS HZ2 1 1 14 9437 1 1 36 LYS HZ3 H -9.741 -7.540 5.101 1.00 . A A . 36 LYS HZ3 1 1 14 9438 1 1 36 LYS N N -11.022 -1.981 3.422 1.00 . A A . 36 LYS N 1 1 14 9439 1 1 36 LYS NZ N -10.129 -7.619 6.065 1.00 . A A . 36 LYS NZ 1 1 14 9440 1 1 36 LYS O O -13.455 -1.673 6.033 1.00 . A A . 36 LYS O 1 1 14 9441 1 1 37 TYR C C -15.767 -0.467 3.548 1.00 . A A . 37 TYR C 1 1 14 9442 1 1 37 TYR CA C -14.519 0.063 4.265 1.00 . A A . 37 TYR CA 1 1 14 9443 1 1 37 TYR CB C -14.160 1.460 3.731 1.00 . A A . 37 TYR CB 1 1 14 9444 1 1 37 TYR CD1 C -13.798 2.804 5.830 1.00 . A A . 37 TYR CD1 1 1 14 9445 1 1 37 TYR CD2 C -15.798 3.210 4.521 1.00 . A A . 37 TYR CD2 1 1 14 9446 1 1 37 TYR CE1 C -14.197 3.785 6.746 1.00 . A A . 37 TYR CE1 1 1 14 9447 1 1 37 TYR CE2 C -16.198 4.191 5.437 1.00 . A A . 37 TYR CE2 1 1 14 9448 1 1 37 TYR CG C -14.599 2.517 4.718 1.00 . A A . 37 TYR CG 1 1 14 9449 1 1 37 TYR CZ C -15.397 4.479 6.549 1.00 . A A . 37 TYR CZ 1 1 14 9450 1 1 37 TYR H H -12.937 -0.867 3.064 1.00 . A A . 37 TYR H 1 1 14 9451 1 1 37 TYR HA H -14.705 0.114 5.326 1.00 . A A . 37 TYR HA 1 1 14 9452 1 1 37 TYR HB2 H -13.089 1.524 3.592 1.00 . A A . 37 TYR HB2 1 1 14 9453 1 1 37 TYR HB3 H -14.651 1.628 2.784 1.00 . A A . 37 TYR HB3 1 1 14 9454 1 1 37 TYR HD1 H -12.873 2.269 5.982 1.00 . A A . 37 TYR HD1 1 1 14 9455 1 1 37 TYR HD2 H -16.416 2.990 3.663 1.00 . A A . 37 TYR HD2 1 1 14 9456 1 1 37 TYR HE1 H -13.581 4.006 7.605 1.00 . A A . 37 TYR HE1 1 1 14 9457 1 1 37 TYR HE2 H -17.123 4.726 5.286 1.00 . A A . 37 TYR HE2 1 1 14 9458 1 1 37 TYR HH H -16.580 5.868 7.108 1.00 . A A . 37 TYR HH 1 1 14 9459 1 1 37 TYR N N -13.383 -0.860 3.992 1.00 . A A . 37 TYR N 1 1 14 9460 1 1 37 TYR O O -15.925 -0.273 2.362 1.00 . A A . 37 TYR O 1 1 14 9461 1 1 37 TYR OH O -15.790 5.445 7.452 1.00 . A A . 37 TYR OH 1 1 14 9462 1 1 38 LEU C C -18.063 -3.158 4.175 1.00 . A A . 38 LEU C 1 1 14 9463 1 1 38 LEU CA C -17.896 -1.715 3.682 1.00 . A A . 38 LEU CA 1 1 14 9464 1 1 38 LEU CB C -17.831 -1.710 2.146 1.00 . A A . 38 LEU CB 1 1 14 9465 1 1 38 LEU CD1 C -20.154 -1.291 1.297 1.00 . A A . 38 LEU CD1 1 1 14 9466 1 1 38 LEU CD2 C -18.733 -3.047 0.234 1.00 . A A . 38 LEU CD2 1 1 14 9467 1 1 38 LEU CG C -19.092 -2.362 1.554 1.00 . A A . 38 LEU CG 1 1 14 9468 1 1 38 LEU H H -16.459 -1.276 5.227 1.00 . A A . 38 LEU H 1 1 14 9469 1 1 38 LEU HA H -18.743 -1.128 4.008 1.00 . A A . 38 LEU HA 1 1 14 9470 1 1 38 LEU HB2 H -17.767 -0.690 1.796 1.00 . A A . 38 LEU HB2 1 1 14 9471 1 1 38 LEU HB3 H -16.958 -2.258 1.824 1.00 . A A . 38 LEU HB3 1 1 14 9472 1 1 38 LEU HD11 H -21.056 -1.758 0.928 1.00 . A A . 38 LEU HD11 1 1 14 9473 1 1 38 LEU HD12 H -19.788 -0.588 0.564 1.00 . A A . 38 LEU HD12 1 1 14 9474 1 1 38 LEU HD13 H -20.370 -0.769 2.218 1.00 . A A . 38 LEU HD13 1 1 14 9475 1 1 38 LEU HD21 H -18.095 -2.399 -0.347 1.00 . A A . 38 LEU HD21 1 1 14 9476 1 1 38 LEU HD22 H -19.635 -3.260 -0.321 1.00 . A A . 38 LEU HD22 1 1 14 9477 1 1 38 LEU HD23 H -18.211 -3.972 0.441 1.00 . A A . 38 LEU HD23 1 1 14 9478 1 1 38 LEU HG H -19.485 -3.094 2.242 1.00 . A A . 38 LEU HG 1 1 14 9479 1 1 38 LEU N N -16.637 -1.139 4.275 1.00 . A A . 38 LEU N 1 1 14 9480 1 1 38 LEU O O -18.687 -3.410 5.187 1.00 . A A . 38 LEU O 1 1 14 9481 1 1 39 PHE C C -16.874 -6.375 2.810 1.00 . A A . 39 PHE C 1 1 14 9482 1 1 39 PHE CA C -17.617 -5.538 3.857 1.00 . A A . 39 PHE CA 1 1 14 9483 1 1 39 PHE CB C -19.096 -5.965 3.887 1.00 . A A . 39 PHE CB 1 1 14 9484 1 1 39 PHE CD1 C -18.577 -8.190 4.990 1.00 . A A . 39 PHE CD1 1 1 14 9485 1 1 39 PHE CD2 C -20.295 -6.776 5.958 1.00 . A A . 39 PHE CD2 1 1 14 9486 1 1 39 PHE CE1 C -18.801 -9.143 5.991 1.00 . A A . 39 PHE CE1 1 1 14 9487 1 1 39 PHE CE2 C -20.517 -7.733 6.958 1.00 . A A . 39 PHE CE2 1 1 14 9488 1 1 39 PHE CG C -19.325 -7.003 4.972 1.00 . A A . 39 PHE CG 1 1 14 9489 1 1 39 PHE CZ C -19.770 -8.916 6.973 1.00 . A A . 39 PHE CZ 1 1 14 9490 1 1 39 PHE H H -17.011 -3.860 2.650 1.00 . A A . 39 PHE H 1 1 14 9491 1 1 39 PHE HA H -17.168 -5.683 4.830 1.00 . A A . 39 PHE HA 1 1 14 9492 1 1 39 PHE HB2 H -19.715 -5.102 4.079 1.00 . A A . 39 PHE HB2 1 1 14 9493 1 1 39 PHE HB3 H -19.367 -6.387 2.929 1.00 . A A . 39 PHE HB3 1 1 14 9494 1 1 39 PHE HD1 H -17.829 -8.370 4.237 1.00 . A A . 39 PHE HD1 1 1 14 9495 1 1 39 PHE HD2 H -20.873 -5.864 5.948 1.00 . A A . 39 PHE HD2 1 1 14 9496 1 1 39 PHE HE1 H -18.223 -10.058 6.003 1.00 . A A . 39 PHE HE1 1 1 14 9497 1 1 39 PHE HE2 H -21.264 -7.558 7.717 1.00 . A A . 39 PHE HE2 1 1 14 9498 1 1 39 PHE HZ H -19.943 -9.654 7.743 1.00 . A A . 39 PHE HZ 1 1 14 9499 1 1 39 PHE N N -17.506 -4.100 3.460 1.00 . A A . 39 PHE N 1 1 14 9500 1 1 39 PHE O O -17.270 -7.475 2.479 1.00 . A A . 39 PHE O 1 1 14 9501 1 1 40 THR C C -13.699 -5.923 1.006 1.00 . A A . 40 THR C 1 1 14 9502 1 1 40 THR CA C -15.047 -6.607 1.244 1.00 . A A . 40 THR CA 1 1 14 9503 1 1 40 THR CB C -15.857 -6.640 -0.059 1.00 . A A . 40 THR CB 1 1 14 9504 1 1 40 THR CG2 C -15.304 -7.726 -0.982 1.00 . A A . 40 THR CG2 1 1 14 9505 1 1 40 THR H H -15.510 -4.959 2.547 1.00 . A A . 40 THR H 1 1 14 9506 1 1 40 THR HA H -14.882 -7.617 1.588 1.00 . A A . 40 THR HA 1 1 14 9507 1 1 40 THR HB H -15.788 -5.684 -0.552 1.00 . A A . 40 THR HB 1 1 14 9508 1 1 40 THR HG1 H -17.535 -7.564 -0.399 1.00 . A A . 40 THR HG1 1 1 14 9509 1 1 40 THR HG21 H -15.486 -8.697 -0.544 1.00 . A A . 40 THR HG21 1 1 14 9510 1 1 40 THR HG22 H -14.241 -7.583 -1.111 1.00 . A A . 40 THR HG22 1 1 14 9511 1 1 40 THR HG23 H -15.795 -7.667 -1.943 1.00 . A A . 40 THR HG23 1 1 14 9512 1 1 40 THR N N -15.806 -5.853 2.276 1.00 . A A . 40 THR N 1 1 14 9513 1 1 40 THR O O -12.878 -5.822 1.896 1.00 . A A . 40 THR O 1 1 14 9514 1 1 40 THR OG1 O -17.219 -6.918 0.237 1.00 . A A . 40 THR OG1 1 1 14 9515 1 1 41 GLY C C -11.416 -5.619 -1.532 1.00 . A A . 41 GLY C 1 1 14 9516 1 1 41 GLY CA C -12.173 -4.780 -0.506 1.00 . A A . 41 GLY CA 1 1 14 9517 1 1 41 GLY H H -14.143 -5.556 -0.891 1.00 . A A . 41 GLY H 1 1 14 9518 1 1 41 GLY HA2 H -12.370 -3.800 -0.914 1.00 . A A . 41 GLY HA2 1 1 14 9519 1 1 41 GLY HA3 H -11.577 -4.686 0.389 1.00 . A A . 41 GLY HA3 1 1 14 9520 1 1 41 GLY N N -13.464 -5.458 -0.192 1.00 . A A . 41 GLY N 1 1 14 9521 1 1 41 GLY O O -11.569 -6.823 -1.594 1.00 . A A . 41 GLY O 1 1 14 9522 1 1 42 GLU C C -8.426 -5.223 -3.492 1.00 . A A . 42 GLU C 1 1 14 9523 1 1 42 GLU CA C -9.856 -5.760 -3.381 1.00 . A A . 42 GLU CA 1 1 14 9524 1 1 42 GLU CB C -10.574 -5.608 -4.722 1.00 . A A . 42 GLU CB 1 1 14 9525 1 1 42 GLU CD C -11.569 -3.841 -6.194 1.00 . A A . 42 GLU CD 1 1 14 9526 1 1 42 GLU CG C -10.435 -4.165 -5.216 1.00 . A A . 42 GLU CG 1 1 14 9527 1 1 42 GLU H H -10.509 -4.022 -2.287 1.00 . A A . 42 GLU H 1 1 14 9528 1 1 42 GLU HA H -9.825 -6.805 -3.109 1.00 . A A . 42 GLU HA 1 1 14 9529 1 1 42 GLU HB2 H -10.134 -6.281 -5.443 1.00 . A A . 42 GLU HB2 1 1 14 9530 1 1 42 GLU HB3 H -11.621 -5.845 -4.599 1.00 . A A . 42 GLU HB3 1 1 14 9531 1 1 42 GLU HG2 H -10.478 -3.489 -4.376 1.00 . A A . 42 GLU HG2 1 1 14 9532 1 1 42 GLU HG3 H -9.487 -4.051 -5.721 1.00 . A A . 42 GLU HG3 1 1 14 9533 1 1 42 GLU N N -10.610 -4.995 -2.348 1.00 . A A . 42 GLU N 1 1 14 9534 1 1 42 GLU O O -8.144 -4.095 -3.138 1.00 . A A . 42 GLU O 1 1 14 9535 1 1 42 GLU OE1 O -12.000 -4.744 -6.893 1.00 . A A . 42 GLU OE1 1 1 14 9536 1 1 42 GLU OE2 O -11.990 -2.696 -6.223 1.00 . A A . 42 GLU OE2 1 1 14 9537 1 1 43 CYS C C -6.044 -4.377 -5.070 1.00 . A A . 43 CYS C 1 1 14 9538 1 1 43 CYS CA C -6.111 -5.585 -4.127 1.00 . A A . 43 CYS CA 1 1 14 9539 1 1 43 CYS CB C -5.285 -6.744 -4.702 1.00 . A A . 43 CYS CB 1 1 14 9540 1 1 43 CYS H H -7.770 -6.931 -4.259 1.00 . A A . 43 CYS H 1 1 14 9541 1 1 43 CYS HXT H -6.780 -2.776 -4.542 1.00 . A A . 43 CYS HXT 1 1 14 9542 1 1 43 CYS HA H -5.721 -5.306 -3.158 1.00 . A A . 43 CYS HA 1 1 14 9543 1 1 43 CYS HB2 H -5.073 -6.558 -5.742 1.00 . A A . 43 CYS HB2 1 1 14 9544 1 1 43 CYS HB3 H -4.364 -6.830 -4.161 1.00 . A A . 43 CYS HB3 1 1 14 9545 1 1 43 CYS N N -7.522 -6.028 -3.983 1.00 . A A . 43 CYS N 1 1 14 9546 1 1 43 CYS O O -5.039 -4.234 -5.747 1.00 . A A . 43 CYS O 1 1 14 9547 1 1 43 CYS OXT O -6.996 -3.616 -5.097 1.00 . A A . 43 CYS OXT 1 1 14 9548 1 1 43 CYS SG S -6.215 -8.294 -4.552 1.00 . A A . 43 CYS SG 1 1 15 9549 1 1 1 CYS C C 3.397 -7.512 0.482 1.00 . A A . 1 CYS C 1 1 15 9550 1 1 1 CYS CA C 3.403 -8.528 -0.663 1.00 . A A . 1 CYS CA 1 1 15 9551 1 1 1 CYS CB C 2.047 -9.242 -0.716 1.00 . A A . 1 CYS CB 1 1 15 9552 1 1 1 CYS H1 H 5.398 -9.042 -0.413 1.00 . A A . 1 CYS H1 1 1 15 9553 1 1 1 CYS H2 H 4.329 -10.022 0.440 1.00 . A A . 1 CYS H2 1 1 15 9554 1 1 1 CYS H3 H 4.490 -10.203 -1.225 1.00 . A A . 1 CYS H3 1 1 15 9555 1 1 1 CYS HA H 3.571 -8.017 -1.592 1.00 . A A . 1 CYS HA 1 1 15 9556 1 1 1 CYS HB2 H 1.302 -8.550 -1.055 1.00 . A A . 1 CYS HB2 1 1 15 9557 1 1 1 CYS HB3 H 2.098 -10.072 -1.404 1.00 . A A . 1 CYS HB3 1 1 15 9558 1 1 1 CYS N N 4.488 -9.525 -0.448 1.00 . A A . 1 CYS N 1 1 15 9559 1 1 1 CYS O O 3.217 -7.860 1.632 1.00 . A A . 1 CYS O 1 1 15 9560 1 1 1 CYS SG S 1.614 -9.850 0.938 1.00 . A A . 1 CYS SG 1 1 15 9561 1 1 2 GLY C C 2.272 -5.384 2.058 1.00 . A A . 2 GLY C 1 1 15 9562 1 1 2 GLY CA C 3.573 -5.236 1.273 1.00 . A A . 2 GLY CA 1 1 15 9563 1 1 2 GLY H H 3.724 -5.978 -0.749 1.00 . A A . 2 GLY H 1 1 15 9564 1 1 2 GLY HA2 H 4.415 -5.396 1.927 1.00 . A A . 2 GLY HA2 1 1 15 9565 1 1 2 GLY HA3 H 3.625 -4.246 0.854 1.00 . A A . 2 GLY HA3 1 1 15 9566 1 1 2 GLY N N 3.585 -6.252 0.184 1.00 . A A . 2 GLY N 1 1 15 9567 1 1 2 GLY O O 1.273 -4.771 1.741 1.00 . A A . 2 GLY O 1 1 15 9568 1 1 3 SER C C 1.205 -5.822 5.257 1.00 . A A . 3 SER C 1 1 15 9569 1 1 3 SER CA C 1.023 -6.417 3.863 1.00 . A A . 3 SER CA 1 1 15 9570 1 1 3 SER CB C 0.746 -7.922 3.977 1.00 . A A . 3 SER CB 1 1 15 9571 1 1 3 SER H H 3.083 -6.705 3.300 1.00 . A A . 3 SER H 1 1 15 9572 1 1 3 SER HA H 0.189 -5.936 3.373 1.00 . A A . 3 SER HA 1 1 15 9573 1 1 3 SER HB2 H 1.234 -8.440 3.170 1.00 . A A . 3 SER HB2 1 1 15 9574 1 1 3 SER HB3 H 1.130 -8.292 4.920 1.00 . A A . 3 SER HB3 1 1 15 9575 1 1 3 SER HG H -0.832 -8.621 3.082 1.00 . A A . 3 SER HG 1 1 15 9576 1 1 3 SER N N 2.267 -6.212 3.069 1.00 . A A . 3 SER N 1 1 15 9577 1 1 3 SER O O 1.863 -6.397 6.101 1.00 . A A . 3 SER O 1 1 15 9578 1 1 3 SER OG O -0.654 -8.149 3.899 1.00 . A A . 3 SER OG 1 1 15 9579 1 1 4 LYS C C 2.243 -4.034 7.247 1.00 . A A . 4 LYS C 1 1 15 9580 1 1 4 LYS CA C 0.760 -4.058 6.854 1.00 . A A . 4 LYS CA 1 1 15 9581 1 1 4 LYS CB C -0.081 -4.863 7.858 1.00 . A A . 4 LYS CB 1 1 15 9582 1 1 4 LYS CD C -0.643 -5.146 10.277 1.00 . A A . 4 LYS CD 1 1 15 9583 1 1 4 LYS CE C 0.045 -5.549 11.585 1.00 . A A . 4 LYS CE 1 1 15 9584 1 1 4 LYS CG C 0.403 -4.631 9.286 1.00 . A A . 4 LYS CG 1 1 15 9585 1 1 4 LYS H H 0.085 -4.237 4.821 1.00 . A A . 4 LYS H 1 1 15 9586 1 1 4 LYS HA H 0.391 -3.043 6.814 1.00 . A A . 4 LYS HA 1 1 15 9587 1 1 4 LYS HB2 H -1.110 -4.559 7.783 1.00 . A A . 4 LYS HB2 1 1 15 9588 1 1 4 LYS HB3 H -0.030 -5.913 7.623 1.00 . A A . 4 LYS HB3 1 1 15 9589 1 1 4 LYS HD2 H -1.362 -4.359 10.477 1.00 . A A . 4 LYS HD2 1 1 15 9590 1 1 4 LYS HD3 H -1.152 -5.999 9.857 1.00 . A A . 4 LYS HD3 1 1 15 9591 1 1 4 LYS HE2 H 0.777 -6.320 11.382 1.00 . A A . 4 LYS HE2 1 1 15 9592 1 1 4 LYS HE3 H 0.538 -4.691 12.019 1.00 . A A . 4 LYS HE3 1 1 15 9593 1 1 4 LYS HG2 H 1.325 -5.167 9.434 1.00 . A A . 4 LYS HG2 1 1 15 9594 1 1 4 LYS HG3 H 0.562 -3.571 9.447 1.00 . A A . 4 LYS HG3 1 1 15 9595 1 1 4 LYS HZ1 H -1.699 -6.601 12.010 1.00 . A A . 4 LYS HZ1 1 1 15 9596 1 1 4 LYS HZ2 H -1.417 -5.282 13.037 1.00 . A A . 4 LYS HZ2 1 1 15 9597 1 1 4 LYS HZ3 H -0.509 -6.705 13.220 1.00 . A A . 4 LYS HZ3 1 1 15 9598 1 1 4 LYS N N 0.620 -4.680 5.511 1.00 . A A . 4 LYS N 1 1 15 9599 1 1 4 LYS NZ N -0.972 -6.073 12.536 1.00 . A A . 4 LYS NZ 1 1 15 9600 1 1 4 LYS O O 2.852 -5.049 7.518 1.00 . A A . 4 LYS O 1 1 15 9601 1 1 5 ARG C C 5.071 -3.738 6.747 1.00 . A A . 5 ARG C 1 1 15 9602 1 1 5 ARG CA C 4.280 -2.743 7.600 1.00 . A A . 5 ARG CA 1 1 15 9603 1 1 5 ARG CB C 4.533 -3.014 9.101 1.00 . A A . 5 ARG CB 1 1 15 9604 1 1 5 ARG CD C 3.477 -3.191 11.357 1.00 . A A . 5 ARG CD 1 1 15 9605 1 1 5 ARG CG C 3.211 -3.113 9.855 1.00 . A A . 5 ARG CG 1 1 15 9606 1 1 5 ARG CZ C 5.374 -1.969 12.285 1.00 . A A . 5 ARG CZ 1 1 15 9607 1 1 5 ARG H H 2.323 -2.065 7.014 1.00 . A A . 5 ARG H 1 1 15 9608 1 1 5 ARG HA H 4.609 -1.740 7.359 1.00 . A A . 5 ARG HA 1 1 15 9609 1 1 5 ARG HB2 H 5.075 -3.941 9.217 1.00 . A A . 5 ARG HB2 1 1 15 9610 1 1 5 ARG HB3 H 5.120 -2.207 9.519 1.00 . A A . 5 ARG HB3 1 1 15 9611 1 1 5 ARG HD2 H 2.538 -3.302 11.878 1.00 . A A . 5 ARG HD2 1 1 15 9612 1 1 5 ARG HD3 H 4.100 -4.044 11.564 1.00 . A A . 5 ARG HD3 1 1 15 9613 1 1 5 ARG HE H 3.667 -1.088 11.776 1.00 . A A . 5 ARG HE 1 1 15 9614 1 1 5 ARG HG2 H 2.591 -2.257 9.633 1.00 . A A . 5 ARG HG2 1 1 15 9615 1 1 5 ARG HG3 H 2.715 -4.007 9.552 1.00 . A A . 5 ARG HG3 1 1 15 9616 1 1 5 ARG HH11 H 5.625 -3.938 12.006 1.00 . A A . 5 ARG HH11 1 1 15 9617 1 1 5 ARG HH12 H 6.977 -3.101 12.687 1.00 . A A . 5 ARG HH12 1 1 15 9618 1 1 5 ARG HH21 H 5.427 -0.080 12.680 1.00 . A A . 5 ARG HH21 1 1 15 9619 1 1 5 ARG HH22 H 6.866 -0.891 13.069 1.00 . A A . 5 ARG HH22 1 1 15 9620 1 1 5 ARG N N 2.832 -2.866 7.256 1.00 . A A . 5 ARG N 1 1 15 9621 1 1 5 ARG NE N 4.151 -1.939 11.815 1.00 . A A . 5 ARG NE 1 1 15 9622 1 1 5 ARG NH1 N 6.043 -3.091 12.329 1.00 . A A . 5 ARG NH1 1 1 15 9623 1 1 5 ARG NH2 N 5.933 -0.870 12.710 1.00 . A A . 5 ARG NH2 1 1 15 9624 1 1 5 ARG O O 5.390 -4.832 7.173 1.00 . A A . 5 ARG O 1 1 15 9625 1 1 6 ALA C C 6.396 -3.578 3.295 1.00 . A A . 6 ALA C 1 1 15 9626 1 1 6 ALA CA C 6.159 -4.272 4.645 1.00 . A A . 6 ALA CA 1 1 15 9627 1 1 6 ALA CB C 5.368 -5.564 4.422 1.00 . A A . 6 ALA CB 1 1 15 9628 1 1 6 ALA H H 5.115 -2.475 5.224 1.00 . A A . 6 ALA H 1 1 15 9629 1 1 6 ALA HA H 7.110 -4.507 5.103 1.00 . A A . 6 ALA HA 1 1 15 9630 1 1 6 ALA HB1 H 4.323 -5.326 4.285 1.00 . A A . 6 ALA HB1 1 1 15 9631 1 1 6 ALA HB2 H 5.481 -6.211 5.282 1.00 . A A . 6 ALA HB2 1 1 15 9632 1 1 6 ALA HB3 H 5.743 -6.066 3.544 1.00 . A A . 6 ALA HB3 1 1 15 9633 1 1 6 ALA N N 5.390 -3.361 5.540 1.00 . A A . 6 ALA N 1 1 15 9634 1 1 6 ALA O O 5.472 -3.186 2.609 1.00 . A A . 6 ALA O 1 1 15 9635 1 1 7 TRP C C 7.160 -3.289 0.473 1.00 . A A . 7 TRP C 1 1 15 9636 1 1 7 TRP CA C 7.970 -2.715 1.647 1.00 . A A . 7 TRP CA 1 1 15 9637 1 1 7 TRP CB C 9.472 -2.869 1.359 1.00 . A A . 7 TRP CB 1 1 15 9638 1 1 7 TRP CD1 C 9.398 -1.500 -0.764 1.00 . A A . 7 TRP CD1 1 1 15 9639 1 1 7 TRP CD2 C 10.329 -3.524 -1.073 1.00 . A A . 7 TRP CD2 1 1 15 9640 1 1 7 TRP CE2 C 10.345 -2.874 -2.329 1.00 . A A . 7 TRP CE2 1 1 15 9641 1 1 7 TRP CE3 C 10.862 -4.823 -0.992 1.00 . A A . 7 TRP CE3 1 1 15 9642 1 1 7 TRP CG C 9.723 -2.631 -0.096 1.00 . A A . 7 TRP CG 1 1 15 9643 1 1 7 TRP CH2 C 11.396 -4.782 -3.366 1.00 . A A . 7 TRP CH2 1 1 15 9644 1 1 7 TRP CZ2 C 10.870 -3.490 -3.466 1.00 . A A . 7 TRP CZ2 1 1 15 9645 1 1 7 TRP CZ3 C 11.391 -5.447 -2.131 1.00 . A A . 7 TRP CZ3 1 1 15 9646 1 1 7 TRP H H 8.361 -3.714 3.512 1.00 . A A . 7 TRP H 1 1 15 9647 1 1 7 TRP HA H 7.746 -1.672 1.751 1.00 . A A . 7 TRP HA 1 1 15 9648 1 1 7 TRP HB2 H 10.025 -2.146 1.942 1.00 . A A . 7 TRP HB2 1 1 15 9649 1 1 7 TRP HB3 H 9.794 -3.867 1.622 1.00 . A A . 7 TRP HB3 1 1 15 9650 1 1 7 TRP HD1 H 8.928 -0.631 -0.331 1.00 . A A . 7 TRP HD1 1 1 15 9651 1 1 7 TRP HE1 H 9.639 -0.966 -2.787 1.00 . A A . 7 TRP HE1 1 1 15 9652 1 1 7 TRP HE3 H 10.863 -5.345 -0.045 1.00 . A A . 7 TRP HE3 1 1 15 9653 1 1 7 TRP HH2 H 11.802 -5.267 -4.240 1.00 . A A . 7 TRP HH2 1 1 15 9654 1 1 7 TRP HZ2 H 10.870 -2.972 -4.413 1.00 . A A . 7 TRP HZ2 1 1 15 9655 1 1 7 TRP HZ3 H 11.798 -6.446 -2.059 1.00 . A A . 7 TRP HZ3 1 1 15 9656 1 1 7 TRP N N 7.638 -3.405 2.930 1.00 . A A . 7 TRP N 1 1 15 9657 1 1 7 TRP NE1 N 9.766 -1.643 -2.089 1.00 . A A . 7 TRP NE1 1 1 15 9658 1 1 7 TRP O O 6.938 -4.478 0.373 1.00 . A A . 7 TRP O 1 1 15 9659 1 1 8 CYS C C 6.682 -2.395 -2.895 1.00 . A A . 8 CYS C 1 1 15 9660 1 1 8 CYS CA C 5.973 -2.903 -1.633 1.00 . A A . 8 CYS CA 1 1 15 9661 1 1 8 CYS CB C 4.538 -2.360 -1.606 1.00 . A A . 8 CYS CB 1 1 15 9662 1 1 8 CYS H H 6.956 -1.481 -0.337 1.00 . A A . 8 CYS H 1 1 15 9663 1 1 8 CYS HA H 5.945 -3.986 -1.653 1.00 . A A . 8 CYS HA 1 1 15 9664 1 1 8 CYS HB2 H 4.099 -2.465 -2.585 1.00 . A A . 8 CYS HB2 1 1 15 9665 1 1 8 CYS HB3 H 3.953 -2.919 -0.894 1.00 . A A . 8 CYS HB3 1 1 15 9666 1 1 8 CYS N N 6.743 -2.434 -0.435 1.00 . A A . 8 CYS N 1 1 15 9667 1 1 8 CYS O O 7.293 -1.344 -2.892 1.00 . A A . 8 CYS O 1 1 15 9668 1 1 8 CYS SG S 4.535 -0.613 -1.140 1.00 . A A . 8 CYS SG 1 1 15 9669 1 1 9 LYS C C 6.325 -1.756 -5.997 1.00 . A A . 9 LYS C 1 1 15 9670 1 1 9 LYS CA C 7.275 -2.685 -5.234 1.00 . A A . 9 LYS CA 1 1 15 9671 1 1 9 LYS CB C 7.572 -3.907 -6.108 1.00 . A A . 9 LYS CB 1 1 15 9672 1 1 9 LYS CD C 8.411 -4.692 -8.314 1.00 . A A . 9 LYS CD 1 1 15 9673 1 1 9 LYS CE C 9.126 -4.288 -9.600 1.00 . A A . 9 LYS CE 1 1 15 9674 1 1 9 LYS CG C 8.325 -3.489 -7.373 1.00 . A A . 9 LYS CG 1 1 15 9675 1 1 9 LYS H H 6.107 -3.970 -3.953 1.00 . A A . 9 LYS H 1 1 15 9676 1 1 9 LYS HA H 8.195 -2.167 -5.003 1.00 . A A . 9 LYS HA 1 1 15 9677 1 1 9 LYS HB2 H 8.172 -4.612 -5.551 1.00 . A A . 9 LYS HB2 1 1 15 9678 1 1 9 LYS HB3 H 6.651 -4.372 -6.394 1.00 . A A . 9 LYS HB3 1 1 15 9679 1 1 9 LYS HD2 H 8.960 -5.489 -7.831 1.00 . A A . 9 LYS HD2 1 1 15 9680 1 1 9 LYS HD3 H 7.413 -5.035 -8.551 1.00 . A A . 9 LYS HD3 1 1 15 9681 1 1 9 LYS HE2 H 8.669 -3.395 -10.030 1.00 . A A . 9 LYS HE2 1 1 15 9682 1 1 9 LYS HE3 H 10.168 -4.096 -9.389 1.00 . A A . 9 LYS HE3 1 1 15 9683 1 1 9 LYS HG2 H 7.801 -2.681 -7.862 1.00 . A A . 9 LYS HG2 1 1 15 9684 1 1 9 LYS HG3 H 9.323 -3.170 -7.111 1.00 . A A . 9 LYS HG3 1 1 15 9685 1 1 9 LYS HZ1 H 9.312 -6.290 -10.143 1.00 . A A . 9 LYS HZ1 1 1 15 9686 1 1 9 LYS HZ2 H 9.622 -5.199 -11.405 1.00 . A A . 9 LYS HZ2 1 1 15 9687 1 1 9 LYS HZ3 H 8.024 -5.479 -10.899 1.00 . A A . 9 LYS HZ3 1 1 15 9688 1 1 9 LYS N N 6.607 -3.127 -3.971 1.00 . A A . 9 LYS N 1 1 15 9689 1 1 9 LYS NZ N 9.013 -5.398 -10.587 1.00 . A A . 9 LYS NZ 1 1 15 9690 1 1 9 LYS O O 6.741 -0.903 -6.755 1.00 . A A . 9 LYS O 1 1 15 9691 1 1 10 GLU C C 2.660 -1.379 -5.941 1.00 . A A . 10 GLU C 1 1 15 9692 1 1 10 GLU CA C 4.042 -1.105 -6.531 1.00 . A A . 10 GLU CA 1 1 15 9693 1 1 10 GLU CB C 4.023 -1.497 -8.013 1.00 . A A . 10 GLU CB 1 1 15 9694 1 1 10 GLU CD C 4.509 0.728 -9.043 1.00 . A A . 10 GLU CD 1 1 15 9695 1 1 10 GLU CG C 3.445 -0.355 -8.855 1.00 . A A . 10 GLU CG 1 1 15 9696 1 1 10 GLU H H 4.743 -2.645 -5.209 1.00 . A A . 10 GLU H 1 1 15 9697 1 1 10 GLU HA H 4.280 -0.058 -6.436 1.00 . A A . 10 GLU HA 1 1 15 9698 1 1 10 GLU HB2 H 5.022 -1.706 -8.335 1.00 . A A . 10 GLU HB2 1 1 15 9699 1 1 10 GLU HB3 H 3.419 -2.380 -8.142 1.00 . A A . 10 GLU HB3 1 1 15 9700 1 1 10 GLU HG2 H 3.146 -0.737 -9.818 1.00 . A A . 10 GLU HG2 1 1 15 9701 1 1 10 GLU HG3 H 2.592 0.070 -8.357 1.00 . A A . 10 GLU HG3 1 1 15 9702 1 1 10 GLU N N 5.046 -1.939 -5.814 1.00 . A A . 10 GLU N 1 1 15 9703 1 1 10 GLU O O 2.526 -1.836 -4.825 1.00 . A A . 10 GLU O 1 1 15 9704 1 1 10 GLU OE1 O 5.650 0.474 -8.692 1.00 . A A . 10 GLU OE1 1 1 15 9705 1 1 10 GLU OE2 O 4.159 1.798 -9.517 1.00 . A A . 10 GLU OE2 1 1 15 9706 1 1 11 LYS C C 0.000 -2.877 -6.128 1.00 . A A . 11 LYS C 1 1 15 9707 1 1 11 LYS CA C 0.247 -1.365 -6.224 1.00 . A A . 11 LYS CA 1 1 15 9708 1 1 11 LYS CB C -0.757 -0.740 -7.207 1.00 . A A . 11 LYS CB 1 1 15 9709 1 1 11 LYS CD C -2.466 -2.442 -7.937 1.00 . A A . 11 LYS CD 1 1 15 9710 1 1 11 LYS CE C -3.286 -3.537 -7.251 1.00 . A A . 11 LYS CE 1 1 15 9711 1 1 11 LYS CG C -2.171 -1.298 -6.946 1.00 . A A . 11 LYS CG 1 1 15 9712 1 1 11 LYS H H 1.809 -0.762 -7.600 1.00 . A A . 11 LYS H 1 1 15 9713 1 1 11 LYS HA H 0.113 -0.921 -5.247 1.00 . A A . 11 LYS HA 1 1 15 9714 1 1 11 LYS HB2 H -0.768 0.332 -7.068 1.00 . A A . 11 LYS HB2 1 1 15 9715 1 1 11 LYS HB3 H -0.460 -0.964 -8.219 1.00 . A A . 11 LYS HB3 1 1 15 9716 1 1 11 LYS HD2 H -3.023 -2.052 -8.778 1.00 . A A . 11 LYS HD2 1 1 15 9717 1 1 11 LYS HD3 H -1.540 -2.866 -8.292 1.00 . A A . 11 LYS HD3 1 1 15 9718 1 1 11 LYS HE2 H -2.913 -3.699 -6.251 1.00 . A A . 11 LYS HE2 1 1 15 9719 1 1 11 LYS HE3 H -4.322 -3.236 -7.204 1.00 . A A . 11 LYS HE3 1 1 15 9720 1 1 11 LYS HG2 H -2.235 -1.665 -5.930 1.00 . A A . 11 LYS HG2 1 1 15 9721 1 1 11 LYS HG3 H -2.899 -0.512 -7.082 1.00 . A A . 11 LYS HG3 1 1 15 9722 1 1 11 LYS HZ1 H -3.778 -5.527 -7.606 1.00 . A A . 11 LYS HZ1 1 1 15 9723 1 1 11 LYS HZ2 H -2.181 -5.125 -8.019 1.00 . A A . 11 LYS HZ2 1 1 15 9724 1 1 11 LYS HZ3 H -3.465 -4.628 -9.013 1.00 . A A . 11 LYS HZ3 1 1 15 9725 1 1 11 LYS N N 1.644 -1.112 -6.700 1.00 . A A . 11 LYS N 1 1 15 9726 1 1 11 LYS NZ N -3.170 -4.799 -8.031 1.00 . A A . 11 LYS NZ 1 1 15 9727 1 1 11 LYS O O -0.491 -3.375 -5.136 1.00 . A A . 11 LYS O 1 1 15 9728 1 1 12 LYS C C 1.068 -5.747 -6.145 1.00 . A A . 12 LYS C 1 1 15 9729 1 1 12 LYS CA C 0.114 -5.083 -7.136 1.00 . A A . 12 LYS CA 1 1 15 9730 1 1 12 LYS CB C 0.361 -5.659 -8.528 1.00 . A A . 12 LYS CB 1 1 15 9731 1 1 12 LYS CD C 0.387 -7.752 -9.897 1.00 . A A . 12 LYS CD 1 1 15 9732 1 1 12 LYS CE C 0.706 -9.254 -9.818 1.00 . A A . 12 LYS CE 1 1 15 9733 1 1 12 LYS CG C 0.147 -7.177 -8.495 1.00 . A A . 12 LYS CG 1 1 15 9734 1 1 12 LYS H H 0.720 -3.182 -7.955 1.00 . A A . 12 LYS H 1 1 15 9735 1 1 12 LYS HA H -0.903 -5.289 -6.844 1.00 . A A . 12 LYS HA 1 1 15 9736 1 1 12 LYS HB2 H -0.326 -5.209 -9.231 1.00 . A A . 12 LYS HB2 1 1 15 9737 1 1 12 LYS HB3 H 1.376 -5.446 -8.831 1.00 . A A . 12 LYS HB3 1 1 15 9738 1 1 12 LYS HD2 H -0.495 -7.602 -10.500 1.00 . A A . 12 LYS HD2 1 1 15 9739 1 1 12 LYS HD3 H 1.221 -7.238 -10.352 1.00 . A A . 12 LYS HD3 1 1 15 9740 1 1 12 LYS HE2 H 0.444 -9.642 -8.843 1.00 . A A . 12 LYS HE2 1 1 15 9741 1 1 12 LYS HE3 H 0.149 -9.785 -10.579 1.00 . A A . 12 LYS HE3 1 1 15 9742 1 1 12 LYS HG2 H 0.839 -7.624 -7.794 1.00 . A A . 12 LYS HG2 1 1 15 9743 1 1 12 LYS HG3 H -0.867 -7.389 -8.188 1.00 . A A . 12 LYS HG3 1 1 15 9744 1 1 12 LYS HZ1 H 2.332 -9.629 -11.064 1.00 . A A . 12 LYS HZ1 1 1 15 9745 1 1 12 LYS HZ2 H 2.514 -10.240 -9.492 1.00 . A A . 12 LYS HZ2 1 1 15 9746 1 1 12 LYS HZ3 H 2.672 -8.571 -9.779 1.00 . A A . 12 LYS HZ3 1 1 15 9747 1 1 12 LYS N N 0.332 -3.606 -7.160 1.00 . A A . 12 LYS N 1 1 15 9748 1 1 12 LYS NZ N 2.165 -9.439 -10.055 1.00 . A A . 12 LYS NZ 1 1 15 9749 1 1 12 LYS O O 0.683 -6.610 -5.380 1.00 . A A . 12 LYS O 1 1 15 9750 1 1 13 ASP C C 2.830 -5.917 -3.815 1.00 . A A . 13 ASP C 1 1 15 9751 1 1 13 ASP CA C 3.303 -6.008 -5.264 1.00 . A A . 13 ASP CA 1 1 15 9752 1 1 13 ASP CB C 4.640 -5.298 -5.401 1.00 . A A . 13 ASP CB 1 1 15 9753 1 1 13 ASP CG C 5.753 -6.172 -4.816 1.00 . A A . 13 ASP CG 1 1 15 9754 1 1 13 ASP H H 2.606 -4.696 -6.822 1.00 . A A . 13 ASP H 1 1 15 9755 1 1 13 ASP HA H 3.423 -7.047 -5.536 1.00 . A A . 13 ASP HA 1 1 15 9756 1 1 13 ASP HB2 H 4.834 -5.111 -6.443 1.00 . A A . 13 ASP HB2 1 1 15 9757 1 1 13 ASP HB3 H 4.604 -4.364 -4.867 1.00 . A A . 13 ASP HB3 1 1 15 9758 1 1 13 ASP N N 2.313 -5.375 -6.177 1.00 . A A . 13 ASP N 1 1 15 9759 1 1 13 ASP O O 3.407 -6.523 -2.942 1.00 . A A . 13 ASP O 1 1 15 9760 1 1 13 ASP OD1 O 5.964 -6.102 -3.617 1.00 . A A . 13 ASP OD1 1 1 15 9761 1 1 13 ASP OD2 O 6.382 -6.887 -5.579 1.00 . A A . 13 ASP OD2 1 1 15 9762 1 1 14 CYS C C 0.199 -6.139 -1.949 1.00 . A A . 14 CYS C 1 1 15 9763 1 1 14 CYS CA C 1.295 -5.095 -2.140 1.00 . A A . 14 CYS CA 1 1 15 9764 1 1 14 CYS CB C 0.734 -3.704 -1.859 1.00 . A A . 14 CYS CB 1 1 15 9765 1 1 14 CYS H H 1.321 -4.701 -4.260 1.00 . A A . 14 CYS H 1 1 15 9766 1 1 14 CYS HA H 2.109 -5.299 -1.456 1.00 . A A . 14 CYS HA 1 1 15 9767 1 1 14 CYS HB2 H 1.538 -2.997 -1.778 1.00 . A A . 14 CYS HB2 1 1 15 9768 1 1 14 CYS HB3 H 0.064 -3.411 -2.652 1.00 . A A . 14 CYS HB3 1 1 15 9769 1 1 14 CYS N N 1.787 -5.183 -3.544 1.00 . A A . 14 CYS N 1 1 15 9770 1 1 14 CYS O O -0.484 -6.511 -2.882 1.00 . A A . 14 CYS O 1 1 15 9771 1 1 14 CYS SG S -0.154 -3.730 -0.296 1.00 . A A . 14 CYS SG 1 1 15 9772 1 1 15 CYS C C -2.385 -7.166 -0.850 1.00 . A A . 15 CYS C 1 1 15 9773 1 1 15 CYS CA C -0.985 -7.690 -0.523 1.00 . A A . 15 CYS CA 1 1 15 9774 1 1 15 CYS CB C -0.907 -8.151 0.933 1.00 . A A . 15 CYS CB 1 1 15 9775 1 1 15 CYS H H 0.624 -6.342 -0.023 1.00 . A A . 15 CYS H 1 1 15 9776 1 1 15 CYS HA H -0.779 -8.532 -1.167 1.00 . A A . 15 CYS HA 1 1 15 9777 1 1 15 CYS HB2 H -0.173 -7.556 1.457 1.00 . A A . 15 CYS HB2 1 1 15 9778 1 1 15 CYS HB3 H -1.867 -8.035 1.406 1.00 . A A . 15 CYS HB3 1 1 15 9779 1 1 15 CYS N N 0.046 -6.640 -0.760 1.00 . A A . 15 CYS N 1 1 15 9780 1 1 15 CYS O O -2.773 -6.088 -0.456 1.00 . A A . 15 CYS O 1 1 15 9781 1 1 15 CYS SG S -0.409 -9.895 0.980 1.00 . A A . 15 CYS SG 1 1 15 9782 1 1 16 CYS C C -5.335 -7.089 -0.740 1.00 . A A . 16 CYS C 1 1 15 9783 1 1 16 CYS CA C -4.537 -7.585 -1.958 1.00 . A A . 16 CYS CA 1 1 15 9784 1 1 16 CYS CB C -5.214 -8.840 -2.531 1.00 . A A . 16 CYS CB 1 1 15 9785 1 1 16 CYS H H -2.773 -8.823 -1.851 1.00 . A A . 16 CYS H 1 1 15 9786 1 1 16 CYS HA H -4.510 -6.813 -2.708 1.00 . A A . 16 CYS HA 1 1 15 9787 1 1 16 CYS HB2 H -5.963 -9.203 -1.845 1.00 . A A . 16 CYS HB2 1 1 15 9788 1 1 16 CYS HB3 H -5.678 -8.600 -3.472 1.00 . A A . 16 CYS HB3 1 1 15 9789 1 1 16 CYS N N -3.136 -7.956 -1.567 1.00 . A A . 16 CYS N 1 1 15 9790 1 1 16 CYS O O -6.278 -7.713 -0.303 1.00 . A A . 16 CYS O 1 1 15 9791 1 1 16 CYS SG S -3.972 -10.137 -2.787 1.00 . A A . 16 CYS SG 1 1 15 9792 1 1 17 GLY C C -5.016 -4.152 1.420 1.00 . A A . 17 GLY C 1 1 15 9793 1 1 17 GLY CA C -5.689 -5.447 0.992 1.00 . A A . 17 GLY CA 1 1 15 9794 1 1 17 GLY H H -4.204 -5.485 -0.563 1.00 . A A . 17 GLY H 1 1 15 9795 1 1 17 GLY HA2 H -6.721 -5.260 0.741 1.00 . A A . 17 GLY HA2 1 1 15 9796 1 1 17 GLY HA3 H -5.639 -6.159 1.801 1.00 . A A . 17 GLY HA3 1 1 15 9797 1 1 17 GLY N N -4.965 -5.977 -0.193 1.00 . A A . 17 GLY N 1 1 15 9798 1 1 17 GLY O O -5.636 -3.268 1.974 1.00 . A A . 17 GLY O 1 1 15 9799 1 1 18 TYR C C -2.649 -1.984 0.314 1.00 . A A . 18 TYR C 1 1 15 9800 1 1 18 TYR CA C -3.003 -2.805 1.559 1.00 . A A . 18 TYR CA 1 1 15 9801 1 1 18 TYR CB C -1.726 -3.197 2.299 1.00 . A A . 18 TYR CB 1 1 15 9802 1 1 18 TYR CD1 C -2.357 -5.198 3.648 1.00 . A A . 18 TYR CD1 1 1 15 9803 1 1 18 TYR CD2 C -2.197 -3.051 4.755 1.00 . A A . 18 TYR CD2 1 1 15 9804 1 1 18 TYR CE1 C -2.718 -5.800 4.859 1.00 . A A . 18 TYR CE1 1 1 15 9805 1 1 18 TYR CE2 C -2.561 -3.647 5.967 1.00 . A A . 18 TYR CE2 1 1 15 9806 1 1 18 TYR CG C -2.097 -3.829 3.603 1.00 . A A . 18 TYR CG 1 1 15 9807 1 1 18 TYR CZ C -2.822 -5.024 6.018 1.00 . A A . 18 TYR CZ 1 1 15 9808 1 1 18 TYR H H -3.241 -4.809 0.697 1.00 . A A . 18 TYR H 1 1 15 9809 1 1 18 TYR HA H -3.620 -2.208 2.212 1.00 . A A . 18 TYR HA 1 1 15 9810 1 1 18 TYR HB2 H -1.169 -3.907 1.714 1.00 . A A . 18 TYR HB2 1 1 15 9811 1 1 18 TYR HB3 H -1.127 -2.325 2.479 1.00 . A A . 18 TYR HB3 1 1 15 9812 1 1 18 TYR HD1 H -2.267 -5.788 2.745 1.00 . A A . 18 TYR HD1 1 1 15 9813 1 1 18 TYR HD2 H -1.990 -1.992 4.708 1.00 . A A . 18 TYR HD2 1 1 15 9814 1 1 18 TYR HE1 H -2.919 -6.861 4.896 1.00 . A A . 18 TYR HE1 1 1 15 9815 1 1 18 TYR HE2 H -2.638 -3.050 6.860 1.00 . A A . 18 TYR HE2 1 1 15 9816 1 1 18 TYR HH H -2.690 -6.435 7.298 1.00 . A A . 18 TYR HH 1 1 15 9817 1 1 18 TYR N N -3.740 -4.041 1.168 1.00 . A A . 18 TYR N 1 1 15 9818 1 1 18 TYR O O -2.512 -2.505 -0.775 1.00 . A A . 18 TYR O 1 1 15 9819 1 1 18 TYR OH O -3.179 -5.614 7.214 1.00 . A A . 18 TYR OH 1 1 15 9820 1 1 19 ASN C C -0.659 0.528 -0.617 1.00 . A A . 19 ASN C 1 1 15 9821 1 1 19 ASN CA C -2.151 0.189 -0.672 1.00 . A A . 19 ASN CA 1 1 15 9822 1 1 19 ASN CB C -2.994 1.467 -0.571 1.00 . A A . 19 ASN CB 1 1 15 9823 1 1 19 ASN CG C -2.108 2.708 -0.661 1.00 . A A . 19 ASN CG 1 1 15 9824 1 1 19 ASN H H -2.609 -0.308 1.370 1.00 . A A . 19 ASN H 1 1 15 9825 1 1 19 ASN HA H -2.371 -0.320 -1.600 1.00 . A A . 19 ASN HA 1 1 15 9826 1 1 19 ASN HB2 H -3.718 1.486 -1.374 1.00 . A A . 19 ASN HB2 1 1 15 9827 1 1 19 ASN HB3 H -3.509 1.471 0.373 1.00 . A A . 19 ASN HB3 1 1 15 9828 1 1 19 ASN HD21 H -2.154 2.775 -2.640 1.00 . A A . 19 ASN HD21 1 1 15 9829 1 1 19 ASN HD22 H -1.240 3.992 -1.894 1.00 . A A . 19 ASN HD22 1 1 15 9830 1 1 19 ASN N N -2.498 -0.696 0.480 1.00 . A A . 19 ASN N 1 1 15 9831 1 1 19 ASN ND2 N -1.811 3.199 -1.828 1.00 . A A . 19 ASN ND2 1 1 15 9832 1 1 19 ASN O O -0.135 0.864 0.421 1.00 . A A . 19 ASN O 1 1 15 9833 1 1 19 ASN OD1 O -1.683 3.231 0.348 1.00 . A A . 19 ASN OD1 1 1 15 9834 1 1 20 CYS C C 1.715 2.250 -1.755 1.00 . A A . 20 CYS C 1 1 15 9835 1 1 20 CYS CA C 1.495 0.741 -1.708 1.00 . A A . 20 CYS CA 1 1 15 9836 1 1 20 CYS CB C 2.165 0.087 -2.917 1.00 . A A . 20 CYS CB 1 1 15 9837 1 1 20 CYS H H -0.404 0.159 -2.555 1.00 . A A . 20 CYS H 1 1 15 9838 1 1 20 CYS HA H 1.933 0.346 -0.803 1.00 . A A . 20 CYS HA 1 1 15 9839 1 1 20 CYS HB2 H 1.946 -0.969 -2.911 1.00 . A A . 20 CYS HB2 1 1 15 9840 1 1 20 CYS HB3 H 1.780 0.527 -3.824 1.00 . A A . 20 CYS HB3 1 1 15 9841 1 1 20 CYS N N 0.033 0.439 -1.722 1.00 . A A . 20 CYS N 1 1 15 9842 1 1 20 CYS O O 1.279 2.932 -2.659 1.00 . A A . 20 CYS O 1 1 15 9843 1 1 20 CYS SG S 3.961 0.335 -2.831 1.00 . A A . 20 CYS SG 1 1 15 9844 1 1 21 VAL C C 4.154 4.464 -0.519 1.00 . A A . 21 VAL C 1 1 15 9845 1 1 21 VAL CA C 2.657 4.229 -0.693 1.00 . A A . 21 VAL CA 1 1 15 9846 1 1 21 VAL CB C 1.919 4.813 0.516 1.00 . A A . 21 VAL CB 1 1 15 9847 1 1 21 VAL CG1 C 2.430 6.229 0.802 1.00 . A A . 21 VAL CG1 1 1 15 9848 1 1 21 VAL CG2 C 0.414 4.855 0.227 1.00 . A A . 21 VAL CG2 1 1 15 9849 1 1 21 VAL H H 2.717 2.182 -0.042 1.00 . A A . 21 VAL H 1 1 15 9850 1 1 21 VAL HA H 2.313 4.712 -1.595 1.00 . A A . 21 VAL HA 1 1 15 9851 1 1 21 VAL HB H 2.102 4.188 1.379 1.00 . A A . 21 VAL HB 1 1 15 9852 1 1 21 VAL HG11 H 3.384 6.172 1.304 1.00 . A A . 21 VAL HG11 1 1 15 9853 1 1 21 VAL HG12 H 1.722 6.746 1.434 1.00 . A A . 21 VAL HG12 1 1 15 9854 1 1 21 VAL HG13 H 2.543 6.766 -0.127 1.00 . A A . 21 VAL HG13 1 1 15 9855 1 1 21 VAL HG21 H -0.131 4.697 1.147 1.00 . A A . 21 VAL HG21 1 1 15 9856 1 1 21 VAL HG22 H 0.162 4.078 -0.480 1.00 . A A . 21 VAL HG22 1 1 15 9857 1 1 21 VAL HG23 H 0.150 5.818 -0.187 1.00 . A A . 21 VAL HG23 1 1 15 9858 1 1 21 VAL N N 2.388 2.766 -0.761 1.00 . A A . 21 VAL N 1 1 15 9859 1 1 21 VAL O O 4.790 3.858 0.322 1.00 . A A . 21 VAL O 1 1 15 9860 1 1 22 TYR C C 6.379 6.362 0.204 1.00 . A A . 22 TYR C 1 1 15 9861 1 1 22 TYR CA C 6.175 5.615 -1.117 1.00 . A A . 22 TYR CA 1 1 15 9862 1 1 22 TYR CB C 6.700 6.471 -2.271 1.00 . A A . 22 TYR CB 1 1 15 9863 1 1 22 TYR CD1 C 8.975 5.420 -2.516 1.00 . A A . 22 TYR CD1 1 1 15 9864 1 1 22 TYR CD2 C 8.829 7.703 -1.711 1.00 . A A . 22 TYR CD2 1 1 15 9865 1 1 22 TYR CE1 C 10.369 5.471 -2.407 1.00 . A A . 22 TYR CE1 1 1 15 9866 1 1 22 TYR CE2 C 10.224 7.753 -1.599 1.00 . A A . 22 TYR CE2 1 1 15 9867 1 1 22 TYR CG C 8.205 6.536 -2.170 1.00 . A A . 22 TYR CG 1 1 15 9868 1 1 22 TYR CZ C 10.993 6.636 -1.948 1.00 . A A . 22 TYR CZ 1 1 15 9869 1 1 22 TYR H H 4.180 5.855 -1.996 1.00 . A A . 22 TYR H 1 1 15 9870 1 1 22 TYR HA H 6.711 4.679 -1.091 1.00 . A A . 22 TYR HA 1 1 15 9871 1 1 22 TYR HB2 H 6.416 6.024 -3.213 1.00 . A A . 22 TYR HB2 1 1 15 9872 1 1 22 TYR HB3 H 6.288 7.466 -2.202 1.00 . A A . 22 TYR HB3 1 1 15 9873 1 1 22 TYR HD1 H 8.494 4.520 -2.869 1.00 . A A . 22 TYR HD1 1 1 15 9874 1 1 22 TYR HD2 H 8.234 8.565 -1.445 1.00 . A A . 22 TYR HD2 1 1 15 9875 1 1 22 TYR HE1 H 10.963 4.609 -2.674 1.00 . A A . 22 TYR HE1 1 1 15 9876 1 1 22 TYR HE2 H 10.706 8.651 -1.246 1.00 . A A . 22 TYR HE2 1 1 15 9877 1 1 22 TYR HH H 12.741 6.510 -2.705 1.00 . A A . 22 TYR HH 1 1 15 9878 1 1 22 TYR N N 4.725 5.348 -1.285 1.00 . A A . 22 TYR N 1 1 15 9879 1 1 22 TYR O O 5.699 7.327 0.487 1.00 . A A . 22 TYR O 1 1 15 9880 1 1 22 TYR OH O 12.367 6.682 -1.837 1.00 . A A . 22 TYR OH 1 1 15 9881 1 1 23 ALA C C 8.501 7.787 2.095 1.00 . A A . 23 ALA C 1 1 15 9882 1 1 23 ALA CA C 7.526 6.623 2.316 1.00 . A A . 23 ALA CA 1 1 15 9883 1 1 23 ALA CB C 8.095 5.622 3.333 1.00 . A A . 23 ALA CB 1 1 15 9884 1 1 23 ALA H H 7.837 5.147 0.781 1.00 . A A . 23 ALA H 1 1 15 9885 1 1 23 ALA HA H 6.586 7.014 2.681 1.00 . A A . 23 ALA HA 1 1 15 9886 1 1 23 ALA HB1 H 9.149 5.829 3.496 1.00 . A A . 23 ALA HB1 1 1 15 9887 1 1 23 ALA HB2 H 7.974 4.610 2.947 1.00 . A A . 23 ALA HB2 1 1 15 9888 1 1 23 ALA HB3 H 7.553 5.719 4.274 1.00 . A A . 23 ALA HB3 1 1 15 9889 1 1 23 ALA N N 7.300 5.928 1.018 1.00 . A A . 23 ALA N 1 1 15 9890 1 1 23 ALA O O 9.684 7.682 2.327 1.00 . A A . 23 ALA O 1 1 15 9891 1 1 24 TRP C C 9.685 10.462 2.601 1.00 . A A . 24 TRP C 1 1 15 9892 1 1 24 TRP CA C 8.874 10.074 1.352 1.00 . A A . 24 TRP CA 1 1 15 9893 1 1 24 TRP CB C 8.002 11.262 0.911 1.00 . A A . 24 TRP CB 1 1 15 9894 1 1 24 TRP CD1 C 5.844 10.522 1.988 1.00 . A A . 24 TRP CD1 1 1 15 9895 1 1 24 TRP CD2 C 5.666 10.712 -0.246 1.00 . A A . 24 TRP CD2 1 1 15 9896 1 1 24 TRP CE2 C 4.400 10.293 0.230 1.00 . A A . 24 TRP CE2 1 1 15 9897 1 1 24 TRP CE3 C 5.823 10.907 -1.629 1.00 . A A . 24 TRP CE3 1 1 15 9898 1 1 24 TRP CG C 6.565 10.849 0.893 1.00 . A A . 24 TRP CG 1 1 15 9899 1 1 24 TRP CH2 C 3.502 10.277 -2.009 1.00 . A A . 24 TRP CH2 1 1 15 9900 1 1 24 TRP CZ2 C 3.329 10.078 -0.637 1.00 . A A . 24 TRP CZ2 1 1 15 9901 1 1 24 TRP CZ3 C 4.747 10.690 -2.505 1.00 . A A . 24 TRP CZ3 1 1 15 9902 1 1 24 TRP H H 7.041 8.945 1.430 1.00 . A A . 24 TRP H 1 1 15 9903 1 1 24 TRP HA H 9.559 9.824 0.555 1.00 . A A . 24 TRP HA 1 1 15 9904 1 1 24 TRP HB2 H 8.130 12.086 1.598 1.00 . A A . 24 TRP HB2 1 1 15 9905 1 1 24 TRP HB3 H 8.295 11.575 -0.082 1.00 . A A . 24 TRP HB3 1 1 15 9906 1 1 24 TRP HD1 H 6.210 10.518 3.001 1.00 . A A . 24 TRP HD1 1 1 15 9907 1 1 24 TRP HE1 H 3.839 9.916 2.202 1.00 . A A . 24 TRP HE1 1 1 15 9908 1 1 24 TRP HE3 H 6.779 11.224 -2.021 1.00 . A A . 24 TRP HE3 1 1 15 9909 1 1 24 TRP HH2 H 2.678 10.112 -2.687 1.00 . A A . 24 TRP HH2 1 1 15 9910 1 1 24 TRP HZ2 H 2.371 9.760 -0.250 1.00 . A A . 24 TRP HZ2 1 1 15 9911 1 1 24 TRP HZ3 H 4.879 10.843 -3.566 1.00 . A A . 24 TRP HZ3 1 1 15 9912 1 1 24 TRP N N 8.000 8.893 1.623 1.00 . A A . 24 TRP N 1 1 15 9913 1 1 24 TRP NE1 N 4.560 10.192 1.597 1.00 . A A . 24 TRP NE1 1 1 15 9914 1 1 24 TRP O O 10.818 10.888 2.496 1.00 . A A . 24 TRP O 1 1 15 9915 1 1 25 TYR C C 10.999 9.748 5.305 1.00 . A A . 25 TYR C 1 1 15 9916 1 1 25 TYR CA C 9.885 10.756 4.996 1.00 . A A . 25 TYR CA 1 1 15 9917 1 1 25 TYR CB C 8.934 10.890 6.198 1.00 . A A . 25 TYR CB 1 1 15 9918 1 1 25 TYR CD1 C 7.074 9.234 5.827 1.00 . A A . 25 TYR CD1 1 1 15 9919 1 1 25 TYR CD2 C 8.780 8.711 7.469 1.00 . A A . 25 TYR CD2 1 1 15 9920 1 1 25 TYR CE1 C 6.426 8.029 6.115 1.00 . A A . 25 TYR CE1 1 1 15 9921 1 1 25 TYR CE2 C 8.128 7.506 7.761 1.00 . A A . 25 TYR CE2 1 1 15 9922 1 1 25 TYR CG C 8.252 9.576 6.500 1.00 . A A . 25 TYR CG 1 1 15 9923 1 1 25 TYR CZ C 6.953 7.165 7.081 1.00 . A A . 25 TYR CZ 1 1 15 9924 1 1 25 TYR H H 8.159 9.991 3.860 1.00 . A A . 25 TYR H 1 1 15 9925 1 1 25 TYR HA H 10.340 11.720 4.810 1.00 . A A . 25 TYR HA 1 1 15 9926 1 1 25 TYR HB2 H 9.498 11.203 7.065 1.00 . A A . 25 TYR HB2 1 1 15 9927 1 1 25 TYR HB3 H 8.185 11.634 5.973 1.00 . A A . 25 TYR HB3 1 1 15 9928 1 1 25 TYR HD1 H 6.668 9.899 5.081 1.00 . A A . 25 TYR HD1 1 1 15 9929 1 1 25 TYR HD2 H 9.689 8.972 7.990 1.00 . A A . 25 TYR HD2 1 1 15 9930 1 1 25 TYR HE1 H 5.520 7.766 5.592 1.00 . A A . 25 TYR HE1 1 1 15 9931 1 1 25 TYR HE2 H 8.532 6.839 8.509 1.00 . A A . 25 TYR HE2 1 1 15 9932 1 1 25 TYR HH H 6.836 5.264 6.991 1.00 . A A . 25 TYR HH 1 1 15 9933 1 1 25 TYR N N 9.120 10.352 3.776 1.00 . A A . 25 TYR N 1 1 15 9934 1 1 25 TYR O O 12.007 10.097 5.888 1.00 . A A . 25 TYR O 1 1 15 9935 1 1 25 TYR OH O 6.313 5.977 7.366 1.00 . A A . 25 TYR OH 1 1 15 9936 1 1 26 ASN C C 12.185 6.697 3.918 1.00 . A A . 26 ASN C 1 1 15 9937 1 1 26 ASN CA C 11.919 7.503 5.189 1.00 . A A . 26 ASN CA 1 1 15 9938 1 1 26 ASN CB C 11.467 6.567 6.311 1.00 . A A . 26 ASN CB 1 1 15 9939 1 1 26 ASN CG C 10.079 6.015 5.986 1.00 . A A . 26 ASN CG 1 1 15 9940 1 1 26 ASN H H 10.035 8.244 4.437 1.00 . A A . 26 ASN H 1 1 15 9941 1 1 26 ASN HA H 12.827 8.010 5.487 1.00 . A A . 26 ASN HA 1 1 15 9942 1 1 26 ASN HB2 H 12.169 5.750 6.398 1.00 . A A . 26 ASN HB2 1 1 15 9943 1 1 26 ASN HB3 H 11.431 7.112 7.243 1.00 . A A . 26 ASN HB3 1 1 15 9944 1 1 26 ASN HD21 H 9.339 7.781 5.456 1.00 . A A . 26 ASN HD21 1 1 15 9945 1 1 26 ASN HD22 H 8.255 6.483 5.361 1.00 . A A . 26 ASN HD22 1 1 15 9946 1 1 26 ASN N N 10.847 8.511 4.915 1.00 . A A . 26 ASN N 1 1 15 9947 1 1 26 ASN ND2 N 9.148 6.828 5.565 1.00 . A A . 26 ASN ND2 1 1 15 9948 1 1 26 ASN O O 12.850 5.678 3.944 1.00 . A A . 26 ASN O 1 1 15 9949 1 1 26 ASN OD1 O 9.839 4.831 6.112 1.00 . A A . 26 ASN OD1 1 1 15 9950 1 1 27 GLN C C 11.247 5.068 1.528 1.00 . A A . 27 GLN C 1 1 15 9951 1 1 27 GLN CA C 11.898 6.462 1.510 1.00 . A A . 27 GLN CA 1 1 15 9952 1 1 27 GLN CB C 13.402 6.342 1.261 1.00 . A A . 27 GLN CB 1 1 15 9953 1 1 27 GLN CD C 13.560 8.500 0.080 1.00 . A A . 27 GLN CD 1 1 15 9954 1 1 27 GLN CG C 14.018 7.744 1.257 1.00 . A A . 27 GLN CG 1 1 15 9955 1 1 27 GLN H H 11.157 7.996 2.826 1.00 . A A . 27 GLN H 1 1 15 9956 1 1 27 GLN HA H 11.456 7.047 0.716 1.00 . A A . 27 GLN HA 1 1 15 9957 1 1 27 GLN HB2 H 13.855 5.746 2.037 1.00 . A A . 27 GLN HB2 1 1 15 9958 1 1 27 GLN HB3 H 13.572 5.875 0.304 1.00 . A A . 27 GLN HB3 1 1 15 9959 1 1 27 GLN HE21 H 12.431 9.784 1.018 1.00 . A A . 27 GLN HE21 1 1 15 9960 1 1 27 GLN HE22 H 12.447 10.000 -0.666 1.00 . A A . 27 GLN HE22 1 1 15 9961 1 1 27 GLN HG2 H 13.694 8.279 2.140 1.00 . A A . 27 GLN HG2 1 1 15 9962 1 1 27 GLN HG3 H 15.094 7.668 1.258 1.00 . A A . 27 GLN HG3 1 1 15 9963 1 1 27 GLN N N 11.680 7.163 2.808 1.00 . A A . 27 GLN N 1 1 15 9964 1 1 27 GLN NE2 N 12.746 9.512 0.131 1.00 . A A . 27 GLN NE2 1 1 15 9965 1 1 27 GLN O O 10.400 4.777 2.343 1.00 . A A . 27 GLN O 1 1 15 9966 1 1 27 GLN OE1 O 13.941 8.158 -1.095 1.00 . A A . 27 GLN OE1 1 1 15 9967 1 1 28 GLN C C 9.520 2.961 0.314 1.00 . A A . 28 GLN C 1 1 15 9968 1 1 28 GLN CA C 11.029 2.846 0.536 1.00 . A A . 28 GLN CA 1 1 15 9969 1 1 28 GLN CB C 11.303 2.062 1.828 1.00 . A A . 28 GLN CB 1 1 15 9970 1 1 28 GLN CD C 13.208 0.442 2.087 1.00 . A A . 28 GLN CD 1 1 15 9971 1 1 28 GLN CG C 12.820 1.924 2.050 1.00 . A A . 28 GLN CG 1 1 15 9972 1 1 28 GLN H H 12.302 4.485 -0.048 1.00 . A A . 28 GLN H 1 1 15 9973 1 1 28 GLN HA H 11.465 2.318 -0.299 1.00 . A A . 28 GLN HA 1 1 15 9974 1 1 28 GLN HB2 H 10.859 2.580 2.665 1.00 . A A . 28 GLN HB2 1 1 15 9975 1 1 28 GLN HB3 H 10.862 1.079 1.746 1.00 . A A . 28 GLN HB3 1 1 15 9976 1 1 28 GLN HE21 H 13.226 0.346 4.071 1.00 . A A . 28 GLN HE21 1 1 15 9977 1 1 28 GLN HE22 H 13.606 -1.102 3.271 1.00 . A A . 28 GLN HE22 1 1 15 9978 1 1 28 GLN HG2 H 13.354 2.413 1.248 1.00 . A A . 28 GLN HG2 1 1 15 9979 1 1 28 GLN HG3 H 13.090 2.385 2.990 1.00 . A A . 28 GLN HG3 1 1 15 9980 1 1 28 GLN N N 11.629 4.216 0.609 1.00 . A A . 28 GLN N 1 1 15 9981 1 1 28 GLN NE2 N 13.359 -0.153 3.239 1.00 . A A . 28 GLN NE2 1 1 15 9982 1 1 28 GLN O O 8.998 4.036 0.118 1.00 . A A . 28 GLN O 1 1 15 9983 1 1 28 GLN OE1 O 13.374 -0.180 1.057 1.00 . A A . 28 GLN OE1 1 1 15 9984 1 1 29 SER C C 6.657 1.058 1.195 1.00 . A A . 29 SER C 1 1 15 9985 1 1 29 SER CA C 7.338 1.902 0.119 1.00 . A A . 29 SER CA 1 1 15 9986 1 1 29 SER CB C 7.006 1.330 -1.264 1.00 . A A . 29 SER CB 1 1 15 9987 1 1 29 SER H H 9.261 0.999 0.489 1.00 . A A . 29 SER H 1 1 15 9988 1 1 29 SER HA H 6.986 2.919 0.185 1.00 . A A . 29 SER HA 1 1 15 9989 1 1 29 SER HB2 H 7.061 0.256 -1.234 1.00 . A A . 29 SER HB2 1 1 15 9990 1 1 29 SER HB3 H 6.004 1.628 -1.545 1.00 . A A . 29 SER HB3 1 1 15 9991 1 1 29 SER HG H 7.723 1.436 -3.070 1.00 . A A . 29 SER HG 1 1 15 9992 1 1 29 SER N N 8.816 1.859 0.335 1.00 . A A . 29 SER N 1 1 15 9993 1 1 29 SER O O 6.928 -0.112 1.328 1.00 . A A . 29 SER O 1 1 15 9994 1 1 29 SER OG O 7.942 1.819 -2.217 1.00 . A A . 29 SER OG 1 1 15 9995 1 1 30 SER C C 3.604 0.784 2.731 1.00 . A A . 30 SER C 1 1 15 9996 1 1 30 SER CA C 5.095 0.880 3.035 1.00 . A A . 30 SER CA 1 1 15 9997 1 1 30 SER CB C 5.295 1.593 4.370 1.00 . A A . 30 SER CB 1 1 15 9998 1 1 30 SER H H 5.576 2.575 1.847 1.00 . A A . 30 SER H 1 1 15 9999 1 1 30 SER HA H 5.514 -0.096 3.088 1.00 . A A . 30 SER HA 1 1 15 10000 1 1 30 SER HB2 H 4.558 1.251 5.078 1.00 . A A . 30 SER HB2 1 1 15 10001 1 1 30 SER HB3 H 6.283 1.375 4.748 1.00 . A A . 30 SER HB3 1 1 15 10002 1 1 30 SER HG H 4.719 3.127 3.325 1.00 . A A . 30 SER HG 1 1 15 10003 1 1 30 SER N N 5.781 1.641 1.966 1.00 . A A . 30 SER N 1 1 15 10004 1 1 30 SER O O 2.897 1.772 2.739 1.00 . A A . 30 SER O 1 1 15 10005 1 1 30 SER OG O 5.144 2.992 4.176 1.00 . A A . 30 SER OG 1 1 15 10006 1 1 31 CYS C C 0.832 -0.218 3.402 1.00 . A A . 31 CYS C 1 1 15 10007 1 1 31 CYS CA C 1.672 -0.531 2.155 1.00 . A A . 31 CYS CA 1 1 15 10008 1 1 31 CYS CB C 1.374 -1.946 1.652 1.00 . A A . 31 CYS CB 1 1 15 10009 1 1 31 CYS H H 3.702 -1.180 2.454 1.00 . A A . 31 CYS H 1 1 15 10010 1 1 31 CYS HA H 1.421 0.176 1.386 1.00 . A A . 31 CYS HA 1 1 15 10011 1 1 31 CYS HB2 H 2.262 -2.369 1.216 1.00 . A A . 31 CYS HB2 1 1 15 10012 1 1 31 CYS HB3 H 1.047 -2.565 2.472 1.00 . A A . 31 CYS HB3 1 1 15 10013 1 1 31 CYS N N 3.117 -0.393 2.460 1.00 . A A . 31 CYS N 1 1 15 10014 1 1 31 CYS O O 1.231 -0.486 4.519 1.00 . A A . 31 CYS O 1 1 15 10015 1 1 31 CYS SG S 0.076 -1.853 0.398 1.00 . A A . 31 CYS SG 1 1 15 10016 1 1 32 GLU C C -2.671 0.435 4.010 1.00 . A A . 32 GLU C 1 1 15 10017 1 1 32 GLU CA C -1.204 0.694 4.378 1.00 . A A . 32 GLU CA 1 1 15 10018 1 1 32 GLU CB C -0.993 2.166 4.753 1.00 . A A . 32 GLU CB 1 1 15 10019 1 1 32 GLU CD C -1.911 4.469 4.526 1.00 . A A . 32 GLU CD 1 1 15 10020 1 1 32 GLU CG C -1.937 3.053 3.951 1.00 . A A . 32 GLU CG 1 1 15 10021 1 1 32 GLU H H -0.632 0.563 2.305 1.00 . A A . 32 GLU H 1 1 15 10022 1 1 32 GLU HA H -0.945 0.080 5.215 1.00 . A A . 32 GLU HA 1 1 15 10023 1 1 32 GLU HB2 H -1.188 2.299 5.808 1.00 . A A . 32 GLU HB2 1 1 15 10024 1 1 32 GLU HB3 H 0.028 2.446 4.540 1.00 . A A . 32 GLU HB3 1 1 15 10025 1 1 32 GLU HG2 H -1.627 3.072 2.914 1.00 . A A . 32 GLU HG2 1 1 15 10026 1 1 32 GLU HG3 H -2.928 2.659 4.022 1.00 . A A . 32 GLU HG3 1 1 15 10027 1 1 32 GLU N N -0.332 0.354 3.214 1.00 . A A . 32 GLU N 1 1 15 10028 1 1 32 GLU O O -3.053 0.507 2.862 1.00 . A A . 32 GLU O 1 1 15 10029 1 1 32 GLU OE1 O -1.310 4.645 5.573 1.00 . A A . 32 GLU OE1 1 1 15 10030 1 1 32 GLU OE2 O -2.501 5.347 3.920 1.00 . A A . 32 GLU OE2 1 1 15 10031 1 1 33 ARG C C -5.507 1.013 3.812 1.00 . A A . 33 ARG C 1 1 15 10032 1 1 33 ARG CA C -4.938 -0.128 4.670 1.00 . A A . 33 ARG CA 1 1 15 10033 1 1 33 ARG CB C -5.727 -0.262 5.988 1.00 . A A . 33 ARG CB 1 1 15 10034 1 1 33 ARG CD C -7.713 1.277 5.994 1.00 . A A . 33 ARG CD 1 1 15 10035 1 1 33 ARG CG C -6.260 1.108 6.451 1.00 . A A . 33 ARG CG 1 1 15 10036 1 1 33 ARG CZ C -9.790 0.072 6.352 1.00 . A A . 33 ARG CZ 1 1 15 10037 1 1 33 ARG H H -3.176 0.084 5.902 1.00 . A A . 33 ARG H 1 1 15 10038 1 1 33 ARG HA H -5.013 -1.053 4.119 1.00 . A A . 33 ARG HA 1 1 15 10039 1 1 33 ARG HB2 H -6.557 -0.935 5.835 1.00 . A A . 33 ARG HB2 1 1 15 10040 1 1 33 ARG HB3 H -5.078 -0.667 6.749 1.00 . A A . 33 ARG HB3 1 1 15 10041 1 1 33 ARG HD2 H -8.022 2.298 6.146 1.00 . A A . 33 ARG HD2 1 1 15 10042 1 1 33 ARG HD3 H -7.794 1.030 4.949 1.00 . A A . 33 ARG HD3 1 1 15 10043 1 1 33 ARG HE H -8.278 0.080 7.640 1.00 . A A . 33 ARG HE 1 1 15 10044 1 1 33 ARG HG2 H -6.216 1.162 7.529 1.00 . A A . 33 ARG HG2 1 1 15 10045 1 1 33 ARG HG3 H -5.656 1.900 6.036 1.00 . A A . 33 ARG HG3 1 1 15 10046 1 1 33 ARG HH11 H -9.607 1.106 4.646 1.00 . A A . 33 ARG HH11 1 1 15 10047 1 1 33 ARG HH12 H -11.119 0.293 4.870 1.00 . A A . 33 ARG HH12 1 1 15 10048 1 1 33 ARG HH21 H -10.259 -1.033 7.952 1.00 . A A . 33 ARG HH21 1 1 15 10049 1 1 33 ARG HH22 H -11.488 -0.912 6.738 1.00 . A A . 33 ARG HH22 1 1 15 10050 1 1 33 ARG N N -3.499 0.136 4.976 1.00 . A A . 33 ARG N 1 1 15 10051 1 1 33 ARG NE N -8.591 0.367 6.784 1.00 . A A . 33 ARG NE 1 1 15 10052 1 1 33 ARG NH1 N -10.204 0.527 5.199 1.00 . A A . 33 ARG NH1 1 1 15 10053 1 1 33 ARG NH2 N -10.573 -0.684 7.069 1.00 . A A . 33 ARG NH2 1 1 15 10054 1 1 33 ARG O O -5.042 2.132 3.861 1.00 . A A . 33 ARG O 1 1 15 10055 1 1 34 LYS C C -8.353 1.286 1.475 1.00 . A A . 34 LYS C 1 1 15 10056 1 1 34 LYS CA C -7.088 1.809 2.174 1.00 . A A . 34 LYS CA 1 1 15 10057 1 1 34 LYS CB C -6.036 2.221 1.130 1.00 . A A . 34 LYS CB 1 1 15 10058 1 1 34 LYS CD C -6.375 4.165 -0.466 1.00 . A A . 34 LYS CD 1 1 15 10059 1 1 34 LYS CE C -5.428 5.246 -0.997 1.00 . A A . 34 LYS CE 1 1 15 10060 1 1 34 LYS CG C -5.966 3.757 0.966 1.00 . A A . 34 LYS CG 1 1 15 10061 1 1 34 LYS H H -6.880 -0.156 2.988 1.00 . A A . 34 LYS H 1 1 15 10062 1 1 34 LYS HA H -7.340 2.643 2.796 1.00 . A A . 34 LYS HA 1 1 15 10063 1 1 34 LYS HB2 H -5.076 1.861 1.458 1.00 . A A . 34 LYS HB2 1 1 15 10064 1 1 34 LYS HB3 H -6.273 1.762 0.184 1.00 . A A . 34 LYS HB3 1 1 15 10065 1 1 34 LYS HD2 H -6.333 3.308 -1.121 1.00 . A A . 34 LYS HD2 1 1 15 10066 1 1 34 LYS HD3 H -7.383 4.552 -0.452 1.00 . A A . 34 LYS HD3 1 1 15 10067 1 1 34 LYS HE2 H -5.547 6.148 -0.416 1.00 . A A . 34 LYS HE2 1 1 15 10068 1 1 34 LYS HE3 H -4.407 4.900 -0.922 1.00 . A A . 34 LYS HE3 1 1 15 10069 1 1 34 LYS HG2 H -6.626 4.233 1.675 1.00 . A A . 34 LYS HG2 1 1 15 10070 1 1 34 LYS HG3 H -4.952 4.085 1.154 1.00 . A A . 34 LYS HG3 1 1 15 10071 1 1 34 LYS HZ1 H -6.194 4.689 -2.853 1.00 . A A . 34 LYS HZ1 1 1 15 10072 1 1 34 LYS HZ2 H -4.880 5.757 -2.942 1.00 . A A . 34 LYS HZ2 1 1 15 10073 1 1 34 LYS HZ3 H -6.411 6.332 -2.478 1.00 . A A . 34 LYS HZ3 1 1 15 10074 1 1 34 LYS N N -6.510 0.740 3.021 1.00 . A A . 34 LYS N 1 1 15 10075 1 1 34 LYS NZ N -5.753 5.527 -2.425 1.00 . A A . 34 LYS NZ 1 1 15 10076 1 1 34 LYS O O -8.396 1.155 0.268 1.00 . A A . 34 LYS O 1 1 15 10077 1 1 35 TRP C C -11.817 1.354 1.978 1.00 . A A . 35 TRP C 1 1 15 10078 1 1 35 TRP CA C -10.636 0.459 1.606 1.00 . A A . 35 TRP CA 1 1 15 10079 1 1 35 TRP CB C -10.880 -0.971 2.092 1.00 . A A . 35 TRP CB 1 1 15 10080 1 1 35 TRP CD1 C -8.633 -2.143 2.099 1.00 . A A . 35 TRP CD1 1 1 15 10081 1 1 35 TRP CD2 C -9.841 -2.603 0.256 1.00 . A A . 35 TRP CD2 1 1 15 10082 1 1 35 TRP CE2 C -8.618 -3.302 0.124 1.00 . A A . 35 TRP CE2 1 1 15 10083 1 1 35 TRP CE3 C -10.790 -2.727 -0.776 1.00 . A A . 35 TRP CE3 1 1 15 10084 1 1 35 TRP CG C -9.823 -1.867 1.515 1.00 . A A . 35 TRP CG 1 1 15 10085 1 1 35 TRP CH2 C -9.302 -4.204 -2.009 1.00 . A A . 35 TRP CH2 1 1 15 10086 1 1 35 TRP CZ2 C -8.346 -4.094 -0.997 1.00 . A A . 35 TRP CZ2 1 1 15 10087 1 1 35 TRP CZ3 C -10.521 -3.525 -1.898 1.00 . A A . 35 TRP CZ3 1 1 15 10088 1 1 35 TRP H H -9.322 1.087 3.197 1.00 . A A . 35 TRP H 1 1 15 10089 1 1 35 TRP HA H -10.532 0.458 0.541 1.00 . A A . 35 TRP HA 1 1 15 10090 1 1 35 TRP HB2 H -10.832 -1.000 3.170 1.00 . A A . 35 TRP HB2 1 1 15 10091 1 1 35 TRP HB3 H -11.853 -1.303 1.762 1.00 . A A . 35 TRP HB3 1 1 15 10092 1 1 35 TRP HD1 H -8.295 -1.761 3.052 1.00 . A A . 35 TRP HD1 1 1 15 10093 1 1 35 TRP HE1 H -7.017 -3.333 1.459 1.00 . A A . 35 TRP HE1 1 1 15 10094 1 1 35 TRP HE3 H -11.734 -2.209 -0.701 1.00 . A A . 35 TRP HE3 1 1 15 10095 1 1 35 TRP HH2 H -9.100 -4.817 -2.876 1.00 . A A . 35 TRP HH2 1 1 15 10096 1 1 35 TRP HZ2 H -7.406 -4.613 -1.085 1.00 . A A . 35 TRP HZ2 1 1 15 10097 1 1 35 TRP HZ3 H -11.257 -3.613 -2.682 1.00 . A A . 35 TRP HZ3 1 1 15 10098 1 1 35 TRP N N -9.379 0.979 2.226 1.00 . A A . 35 TRP N 1 1 15 10099 1 1 35 TRP NE1 N -7.914 -2.988 1.270 1.00 . A A . 35 TRP NE1 1 1 15 10100 1 1 35 TRP O O -12.753 1.516 1.223 1.00 . A A . 35 TRP O 1 1 15 10101 1 1 36 LYS C C -14.231 2.130 3.502 1.00 . A A . 36 LYS C 1 1 15 10102 1 1 36 LYS CA C -12.873 2.839 3.585 1.00 . A A . 36 LYS CA 1 1 15 10103 1 1 36 LYS CB C -12.910 4.087 2.702 1.00 . A A . 36 LYS CB 1 1 15 10104 1 1 36 LYS CD C -11.719 6.189 2.085 1.00 . A A . 36 LYS CD 1 1 15 10105 1 1 36 LYS CE C -10.476 7.042 2.339 1.00 . A A . 36 LYS CE 1 1 15 10106 1 1 36 LYS CG C -11.688 4.956 2.991 1.00 . A A . 36 LYS CG 1 1 15 10107 1 1 36 LYS H H -10.991 1.790 3.703 1.00 . A A . 36 LYS H 1 1 15 10108 1 1 36 LYS HA H -12.692 3.130 4.603 1.00 . A A . 36 LYS HA 1 1 15 10109 1 1 36 LYS HB2 H -12.907 3.794 1.663 1.00 . A A . 36 LYS HB2 1 1 15 10110 1 1 36 LYS HB3 H -13.807 4.650 2.914 1.00 . A A . 36 LYS HB3 1 1 15 10111 1 1 36 LYS HD2 H -11.737 5.875 1.052 1.00 . A A . 36 LYS HD2 1 1 15 10112 1 1 36 LYS HD3 H -12.603 6.771 2.301 1.00 . A A . 36 LYS HD3 1 1 15 10113 1 1 36 LYS HE2 H -9.590 6.458 2.136 1.00 . A A . 36 LYS HE2 1 1 15 10114 1 1 36 LYS HE3 H -10.494 7.907 1.694 1.00 . A A . 36 LYS HE3 1 1 15 10115 1 1 36 LYS HG2 H -11.703 5.267 4.026 1.00 . A A . 36 LYS HG2 1 1 15 10116 1 1 36 LYS HG3 H -10.790 4.391 2.796 1.00 . A A . 36 LYS HG3 1 1 15 10117 1 1 36 LYS HZ1 H -10.369 8.518 3.804 1.00 . A A . 36 LYS HZ1 1 1 15 10118 1 1 36 LYS HZ2 H -9.656 7.049 4.254 1.00 . A A . 36 LYS HZ2 1 1 15 10119 1 1 36 LYS HZ3 H -11.349 7.196 4.225 1.00 . A A . 36 LYS HZ3 1 1 15 10120 1 1 36 LYS N N -11.766 1.940 3.131 1.00 . A A . 36 LYS N 1 1 15 10121 1 1 36 LYS NZ N -10.460 7.484 3.763 1.00 . A A . 36 LYS NZ 1 1 15 10122 1 1 36 LYS O O -15.224 2.626 4.000 1.00 . A A . 36 LYS O 1 1 15 10123 1 1 37 TYR C C -15.552 -0.963 3.726 1.00 . A A . 37 TYR C 1 1 15 10124 1 1 37 TYR CA C -15.581 0.241 2.788 1.00 . A A . 37 TYR CA 1 1 15 10125 1 1 37 TYR CB C -15.809 -0.223 1.347 1.00 . A A . 37 TYR CB 1 1 15 10126 1 1 37 TYR CD1 C -17.402 1.571 0.574 1.00 . A A . 37 TYR CD1 1 1 15 10127 1 1 37 TYR CD2 C -15.187 1.487 -0.408 1.00 . A A . 37 TYR CD2 1 1 15 10128 1 1 37 TYR CE1 C -17.715 2.679 -0.222 1.00 . A A . 37 TYR CE1 1 1 15 10129 1 1 37 TYR CE2 C -15.501 2.597 -1.205 1.00 . A A . 37 TYR CE2 1 1 15 10130 1 1 37 TYR CG C -16.139 0.973 0.481 1.00 . A A . 37 TYR CG 1 1 15 10131 1 1 37 TYR CZ C -16.764 3.193 -1.111 1.00 . A A . 37 TYR CZ 1 1 15 10132 1 1 37 TYR H H -13.432 0.577 2.482 1.00 . A A . 37 TYR H 1 1 15 10133 1 1 37 TYR HA H -16.391 0.895 3.081 1.00 . A A . 37 TYR HA 1 1 15 10134 1 1 37 TYR HB2 H -14.917 -0.704 0.975 1.00 . A A . 37 TYR HB2 1 1 15 10135 1 1 37 TYR HB3 H -16.633 -0.923 1.320 1.00 . A A . 37 TYR HB3 1 1 15 10136 1 1 37 TYR HD1 H -18.137 1.175 1.260 1.00 . A A . 37 TYR HD1 1 1 15 10137 1 1 37 TYR HD2 H -14.213 1.026 -0.483 1.00 . A A . 37 TYR HD2 1 1 15 10138 1 1 37 TYR HE1 H -18.691 3.138 -0.151 1.00 . A A . 37 TYR HE1 1 1 15 10139 1 1 37 TYR HE2 H -14.766 2.993 -1.892 1.00 . A A . 37 TYR HE2 1 1 15 10140 1 1 37 TYR HH H -17.994 4.511 -1.742 1.00 . A A . 37 TYR HH 1 1 15 10141 1 1 37 TYR N N -14.285 0.980 2.894 1.00 . A A . 37 TYR N 1 1 15 10142 1 1 37 TYR O O -16.361 -1.864 3.620 1.00 . A A . 37 TYR O 1 1 15 10143 1 1 37 TYR OH O -17.072 4.287 -1.895 1.00 . A A . 37 TYR OH 1 1 15 10144 1 1 38 LEU C C -13.911 -3.328 4.908 1.00 . A A . 38 LEU C 1 1 15 10145 1 1 38 LEU CA C -14.529 -2.114 5.609 1.00 . A A . 38 LEU CA 1 1 15 10146 1 1 38 LEU CB C -15.933 -2.468 6.131 1.00 . A A . 38 LEU CB 1 1 15 10147 1 1 38 LEU CD1 C -16.770 -2.473 8.508 1.00 . A A . 38 LEU CD1 1 1 15 10148 1 1 38 LEU CD2 C -16.249 -4.635 7.373 1.00 . A A . 38 LEU CD2 1 1 15 10149 1 1 38 LEU CG C -15.838 -3.164 7.507 1.00 . A A . 38 LEU CG 1 1 15 10150 1 1 38 LEU H H -13.989 -0.236 4.706 1.00 . A A . 38 LEU H 1 1 15 10151 1 1 38 LEU HA H -13.900 -1.819 6.433 1.00 . A A . 38 LEU HA 1 1 15 10152 1 1 38 LEU HB2 H -16.515 -1.563 6.221 1.00 . A A . 38 LEU HB2 1 1 15 10153 1 1 38 LEU HB3 H -16.417 -3.129 5.428 1.00 . A A . 38 LEU HB3 1 1 15 10154 1 1 38 LEU HD11 H -16.557 -1.415 8.530 1.00 . A A . 38 LEU HD11 1 1 15 10155 1 1 38 LEU HD12 H -16.615 -2.890 9.493 1.00 . A A . 38 LEU HD12 1 1 15 10156 1 1 38 LEU HD13 H -17.797 -2.629 8.211 1.00 . A A . 38 LEU HD13 1 1 15 10157 1 1 38 LEU HD21 H -17.185 -4.701 6.837 1.00 . A A . 38 LEU HD21 1 1 15 10158 1 1 38 LEU HD22 H -16.364 -5.068 8.355 1.00 . A A . 38 LEU HD22 1 1 15 10159 1 1 38 LEU HD23 H -15.486 -5.173 6.829 1.00 . A A . 38 LEU HD23 1 1 15 10160 1 1 38 LEU HG H -14.823 -3.110 7.878 1.00 . A A . 38 LEU HG 1 1 15 10161 1 1 38 LEU N N -14.626 -0.980 4.645 1.00 . A A . 38 LEU N 1 1 15 10162 1 1 38 LEU O O -13.004 -3.946 5.423 1.00 . A A . 38 LEU O 1 1 15 10163 1 1 39 PHE C C -12.637 -5.445 3.685 1.00 . A A . 39 PHE C 1 1 15 10164 1 1 39 PHE CA C -13.851 -4.833 2.970 1.00 . A A . 39 PHE CA 1 1 15 10165 1 1 39 PHE CB C -13.460 -4.361 1.560 1.00 . A A . 39 PHE CB 1 1 15 10166 1 1 39 PHE CD1 C -14.812 -6.117 0.349 1.00 . A A . 39 PHE CD1 1 1 15 10167 1 1 39 PHE CD2 C -12.428 -5.979 -0.076 1.00 . A A . 39 PHE CD2 1 1 15 10168 1 1 39 PHE CE1 C -14.911 -7.181 -0.554 1.00 . A A . 39 PHE CE1 1 1 15 10169 1 1 39 PHE CE2 C -12.529 -7.041 -0.980 1.00 . A A . 39 PHE CE2 1 1 15 10170 1 1 39 PHE CG C -13.568 -5.514 0.587 1.00 . A A . 39 PHE CG 1 1 15 10171 1 1 39 PHE CZ C -13.769 -7.644 -1.219 1.00 . A A . 39 PHE CZ 1 1 15 10172 1 1 39 PHE H H -15.129 -3.134 3.349 1.00 . A A . 39 PHE H 1 1 15 10173 1 1 39 PHE HA H -14.612 -5.581 2.889 1.00 . A A . 39 PHE HA 1 1 15 10174 1 1 39 PHE HB2 H -14.126 -3.570 1.251 1.00 . A A . 39 PHE HB2 1 1 15 10175 1 1 39 PHE HB3 H -12.449 -3.988 1.566 1.00 . A A . 39 PHE HB3 1 1 15 10176 1 1 39 PHE HD1 H -15.694 -5.760 0.861 1.00 . A A . 39 PHE HD1 1 1 15 10177 1 1 39 PHE HD2 H -11.470 -5.515 0.108 1.00 . A A . 39 PHE HD2 1 1 15 10178 1 1 39 PHE HE1 H -15.869 -7.647 -0.738 1.00 . A A . 39 PHE HE1 1 1 15 10179 1 1 39 PHE HE2 H -11.648 -7.398 -1.492 1.00 . A A . 39 PHE HE2 1 1 15 10180 1 1 39 PHE HZ H -13.846 -8.464 -1.917 1.00 . A A . 39 PHE HZ 1 1 15 10181 1 1 39 PHE N N -14.395 -3.662 3.736 1.00 . A A . 39 PHE N 1 1 15 10182 1 1 39 PHE O O -12.774 -6.277 4.562 1.00 . A A . 39 PHE O 1 1 15 10183 1 1 40 THR C C -10.351 -7.065 4.252 1.00 . A A . 40 THR C 1 1 15 10184 1 1 40 THR CA C -10.217 -5.560 3.965 1.00 . A A . 40 THR CA 1 1 15 10185 1 1 40 THR CB C -9.990 -4.810 5.284 1.00 . A A . 40 THR CB 1 1 15 10186 1 1 40 THR CG2 C -10.024 -3.298 5.031 1.00 . A A . 40 THR CG2 1 1 15 10187 1 1 40 THR H H -11.396 -4.356 2.619 1.00 . A A . 40 THR H 1 1 15 10188 1 1 40 THR HA H -9.374 -5.391 3.312 1.00 . A A . 40 THR HA 1 1 15 10189 1 1 40 THR HB H -9.030 -5.084 5.697 1.00 . A A . 40 THR HB 1 1 15 10190 1 1 40 THR HG1 H -10.693 -5.851 6.769 1.00 . A A . 40 THR HG1 1 1 15 10191 1 1 40 THR HG21 H -9.119 -2.844 5.414 1.00 . A A . 40 THR HG21 1 1 15 10192 1 1 40 THR HG22 H -10.878 -2.869 5.533 1.00 . A A . 40 THR HG22 1 1 15 10193 1 1 40 THR HG23 H -10.101 -3.106 3.971 1.00 . A A . 40 THR HG23 1 1 15 10194 1 1 40 THR N N -11.461 -5.031 3.321 1.00 . A A . 40 THR N 1 1 15 10195 1 1 40 THR O O -11.057 -7.777 3.565 1.00 . A A . 40 THR O 1 1 15 10196 1 1 40 THR OG1 O -11.023 -5.152 6.198 1.00 . A A . 40 THR OG1 1 1 15 10197 1 1 41 GLY C C -8.650 -9.781 4.905 1.00 . A A . 41 GLY C 1 1 15 10198 1 1 41 GLY CA C -9.763 -9.004 5.612 1.00 . A A . 41 GLY CA 1 1 15 10199 1 1 41 GLY H H -9.115 -6.958 5.807 1.00 . A A . 41 GLY H 1 1 15 10200 1 1 41 GLY HA2 H -9.656 -9.124 6.682 1.00 . A A . 41 GLY HA2 1 1 15 10201 1 1 41 GLY HA3 H -10.720 -9.395 5.303 1.00 . A A . 41 GLY HA3 1 1 15 10202 1 1 41 GLY N N -9.676 -7.551 5.269 1.00 . A A . 41 GLY N 1 1 15 10203 1 1 41 GLY O O -8.909 -10.537 3.993 1.00 . A A . 41 GLY O 1 1 15 10204 1 1 42 GLU C C -6.436 -10.357 3.177 1.00 . A A . 42 GLU C 1 1 15 10205 1 1 42 GLU CA C -6.256 -10.304 4.696 1.00 . A A . 42 GLU CA 1 1 15 10206 1 1 42 GLU CB C -6.090 -11.738 5.255 1.00 . A A . 42 GLU CB 1 1 15 10207 1 1 42 GLU CD C -7.846 -11.634 7.023 1.00 . A A . 42 GLU CD 1 1 15 10208 1 1 42 GLU CG C -7.431 -12.312 5.718 1.00 . A A . 42 GLU CG 1 1 15 10209 1 1 42 GLU H H -7.254 -8.970 6.064 1.00 . A A . 42 GLU H 1 1 15 10210 1 1 42 GLU HA H -5.357 -9.743 4.911 1.00 . A A . 42 GLU HA 1 1 15 10211 1 1 42 GLU HB2 H -5.674 -12.379 4.492 1.00 . A A . 42 GLU HB2 1 1 15 10212 1 1 42 GLU HB3 H -5.413 -11.708 6.096 1.00 . A A . 42 GLU HB3 1 1 15 10213 1 1 42 GLU HG2 H -8.178 -12.150 4.962 1.00 . A A . 42 GLU HG2 1 1 15 10214 1 1 42 GLU HG3 H -7.327 -13.373 5.886 1.00 . A A . 42 GLU HG3 1 1 15 10215 1 1 42 GLU N N -7.417 -9.591 5.325 1.00 . A A . 42 GLU N 1 1 15 10216 1 1 42 GLU O O -7.516 -10.586 2.676 1.00 . A A . 42 GLU O 1 1 15 10217 1 1 42 GLU OE1 O -6.987 -11.465 7.875 1.00 . A A . 42 GLU OE1 1 1 15 10218 1 1 42 GLU OE2 O -9.010 -11.296 7.152 1.00 . A A . 42 GLU OE2 1 1 15 10219 1 1 43 CYS C C -6.002 -11.619 0.564 1.00 . A A . 43 CYS C 1 1 15 10220 1 1 43 CYS CA C -5.543 -10.217 0.954 1.00 . A A . 43 CYS CA 1 1 15 10221 1 1 43 CYS CB C -4.207 -9.900 0.270 1.00 . A A . 43 CYS CB 1 1 15 10222 1 1 43 CYS H H -4.515 -9.975 2.833 1.00 . A A . 43 CYS H 1 1 15 10223 1 1 43 CYS HXT H -7.745 -11.069 0.354 1.00 . A A . 43 CYS HXT 1 1 15 10224 1 1 43 CYS HA H -6.290 -9.504 0.645 1.00 . A A . 43 CYS HA 1 1 15 10225 1 1 43 CYS HB2 H -4.259 -8.932 -0.164 1.00 . A A . 43 CYS HB2 1 1 15 10226 1 1 43 CYS HB3 H -3.412 -9.905 0.997 1.00 . A A . 43 CYS HB3 1 1 15 10227 1 1 43 CYS N N -5.390 -10.157 2.430 1.00 . A A . 43 CYS N 1 1 15 10228 1 1 43 CYS O O -5.285 -12.557 0.867 1.00 . A A . 43 CYS O 1 1 15 10229 1 1 43 CYS OXT O -7.058 -11.731 -0.035 1.00 . A A . 43 CYS OXT 1 1 15 10230 1 1 43 CYS SG S -3.864 -11.134 -1.023 1.00 . A A . 43 CYS SG 1 1 16 10231 1 1 1 CYS C C 3.854 -7.824 0.141 1.00 . A A . 1 CYS C 1 1 16 10232 1 1 1 CYS CA C 3.744 -8.333 -1.301 1.00 . A A . 1 CYS CA 1 1 16 10233 1 1 1 CYS CB C 2.306 -8.791 -1.571 1.00 . A A . 1 CYS CB 1 1 16 10234 1 1 1 CYS H1 H 5.642 -9.171 -1.316 1.00 . A A . 1 CYS H1 1 1 16 10235 1 1 1 CYS H2 H 4.430 -10.237 -0.848 1.00 . A A . 1 CYS H2 1 1 16 10236 1 1 1 CYS H3 H 4.602 -9.818 -2.467 1.00 . A A . 1 CYS H3 1 1 16 10237 1 1 1 CYS HA H 4.005 -7.541 -1.981 1.00 . A A . 1 CYS HA 1 1 16 10238 1 1 1 CYS HB2 H 1.670 -7.929 -1.659 1.00 . A A . 1 CYS HB2 1 1 16 10239 1 1 1 CYS HB3 H 2.267 -9.355 -2.491 1.00 . A A . 1 CYS HB3 1 1 16 10240 1 1 1 CYS N N 4.677 -9.478 -1.498 1.00 . A A . 1 CYS N 1 1 16 10241 1 1 1 CYS O O 3.874 -8.598 1.076 1.00 . A A . 1 CYS O 1 1 16 10242 1 1 1 CYS SG S 1.728 -9.827 -0.203 1.00 . A A . 1 CYS SG 1 1 16 10243 1 1 2 GLY C C 2.679 -6.061 2.435 1.00 . A A . 2 GLY C 1 1 16 10244 1 1 2 GLY CA C 4.043 -6.002 1.730 1.00 . A A . 2 GLY CA 1 1 16 10245 1 1 2 GLY H H 3.928 -5.906 -0.428 1.00 . A A . 2 GLY H 1 1 16 10246 1 1 2 GLY HA2 H 4.754 -6.605 2.275 1.00 . A A . 2 GLY HA2 1 1 16 10247 1 1 2 GLY HA3 H 4.386 -4.979 1.700 1.00 . A A . 2 GLY HA3 1 1 16 10248 1 1 2 GLY N N 3.933 -6.530 0.337 1.00 . A A . 2 GLY N 1 1 16 10249 1 1 2 GLY O O 1.640 -5.957 1.813 1.00 . A A . 2 GLY O 1 1 16 10250 1 1 3 SER C C 1.230 -5.037 5.363 1.00 . A A . 3 SER C 1 1 16 10251 1 1 3 SER CA C 1.393 -6.297 4.502 1.00 . A A . 3 SER CA 1 1 16 10252 1 1 3 SER CB C 1.411 -7.528 5.410 1.00 . A A . 3 SER CB 1 1 16 10253 1 1 3 SER H H 3.531 -6.309 4.214 1.00 . A A . 3 SER H 1 1 16 10254 1 1 3 SER HA H 0.564 -6.372 3.813 1.00 . A A . 3 SER HA 1 1 16 10255 1 1 3 SER HB2 H 2.040 -7.338 6.266 1.00 . A A . 3 SER HB2 1 1 16 10256 1 1 3 SER HB3 H 0.405 -7.740 5.747 1.00 . A A . 3 SER HB3 1 1 16 10257 1 1 3 SER HG H 1.761 -9.431 5.205 1.00 . A A . 3 SER HG 1 1 16 10258 1 1 3 SER N N 2.680 -6.228 3.737 1.00 . A A . 3 SER N 1 1 16 10259 1 1 3 SER O O 1.878 -4.035 5.139 1.00 . A A . 3 SER O 1 1 16 10260 1 1 3 SER OG O 1.927 -8.638 4.688 1.00 . A A . 3 SER OG 1 1 16 10261 1 1 4 LYS C C 1.446 -3.492 7.915 1.00 . A A . 4 LYS C 1 1 16 10262 1 1 4 LYS CA C 0.137 -3.897 7.229 1.00 . A A . 4 LYS CA 1 1 16 10263 1 1 4 LYS CB C -0.942 -4.266 8.276 1.00 . A A . 4 LYS CB 1 1 16 10264 1 1 4 LYS CD C -2.022 -3.637 10.456 1.00 . A A . 4 LYS CD 1 1 16 10265 1 1 4 LYS CE C -1.758 -3.046 11.854 1.00 . A A . 4 LYS CE 1 1 16 10266 1 1 4 LYS CG C -0.792 -3.439 9.562 1.00 . A A . 4 LYS CG 1 1 16 10267 1 1 4 LYS H H -0.158 -5.908 6.490 1.00 . A A . 4 LYS H 1 1 16 10268 1 1 4 LYS HA H -0.206 -3.071 6.629 1.00 . A A . 4 LYS HA 1 1 16 10269 1 1 4 LYS HB2 H -1.917 -4.089 7.858 1.00 . A A . 4 LYS HB2 1 1 16 10270 1 1 4 LYS HB3 H -0.850 -5.316 8.520 1.00 . A A . 4 LYS HB3 1 1 16 10271 1 1 4 LYS HD2 H -2.872 -3.140 10.090 1.00 . A A . 4 LYS HD2 1 1 16 10272 1 1 4 LYS HD3 H -2.232 -4.692 10.547 1.00 . A A . 4 LYS HD3 1 1 16 10273 1 1 4 LYS HE2 H -2.459 -2.246 12.047 1.00 . A A . 4 LYS HE2 1 1 16 10274 1 1 4 LYS HE3 H -1.886 -3.818 12.601 1.00 . A A . 4 LYS HE3 1 1 16 10275 1 1 4 LYS HG2 H 0.082 -3.771 10.098 1.00 . A A . 4 LYS HG2 1 1 16 10276 1 1 4 LYS HG3 H -0.691 -2.394 9.312 1.00 . A A . 4 LYS HG3 1 1 16 10277 1 1 4 LYS HZ1 H 0.295 -3.290 12.119 1.00 . A A . 4 LYS HZ1 1 1 16 10278 1 1 4 LYS HZ2 H -0.307 -1.817 12.705 1.00 . A A . 4 LYS HZ2 1 1 16 10279 1 1 4 LYS HZ3 H -0.122 -2.051 11.034 1.00 . A A . 4 LYS HZ3 1 1 16 10280 1 1 4 LYS N N 0.360 -5.085 6.341 1.00 . A A . 4 LYS N 1 1 16 10281 1 1 4 LYS NZ N -0.368 -2.510 11.934 1.00 . A A . 4 LYS NZ 1 1 16 10282 1 1 4 LYS O O 1.514 -3.364 9.112 1.00 . A A . 4 LYS O 1 1 16 10283 1 1 5 ARG C C 4.910 -3.612 6.981 1.00 . A A . 5 ARG C 1 1 16 10284 1 1 5 ARG CA C 3.803 -2.850 7.702 1.00 . A A . 5 ARG CA 1 1 16 10285 1 1 5 ARG CB C 3.901 -3.105 9.221 1.00 . A A . 5 ARG CB 1 1 16 10286 1 1 5 ARG CD C 3.620 -4.764 11.070 1.00 . A A . 5 ARG CD 1 1 16 10287 1 1 5 ARG CG C 3.735 -4.598 9.553 1.00 . A A . 5 ARG CG 1 1 16 10288 1 1 5 ARG CZ C 2.196 -6.689 11.463 1.00 . A A . 5 ARG CZ 1 1 16 10289 1 1 5 ARG H H 2.371 -3.361 6.172 1.00 . A A . 5 ARG H 1 1 16 10290 1 1 5 ARG HA H 3.937 -1.794 7.514 1.00 . A A . 5 ARG HA 1 1 16 10291 1 1 5 ARG HB2 H 4.870 -2.778 9.567 1.00 . A A . 5 ARG HB2 1 1 16 10292 1 1 5 ARG HB3 H 3.141 -2.536 9.730 1.00 . A A . 5 ARG HB3 1 1 16 10293 1 1 5 ARG HD2 H 4.532 -4.421 11.538 1.00 . A A . 5 ARG HD2 1 1 16 10294 1 1 5 ARG HD3 H 2.788 -4.182 11.437 1.00 . A A . 5 ARG HD3 1 1 16 10295 1 1 5 ARG HE H 4.181 -6.789 11.540 1.00 . A A . 5 ARG HE 1 1 16 10296 1 1 5 ARG HG2 H 2.854 -4.994 9.078 1.00 . A A . 5 ARG HG2 1 1 16 10297 1 1 5 ARG HG3 H 4.598 -5.142 9.209 1.00 . A A . 5 ARG HG3 1 1 16 10298 1 1 5 ARG HH11 H 1.299 -4.943 11.068 1.00 . A A . 5 ARG HH11 1 1 16 10299 1 1 5 ARG HH12 H 0.240 -6.289 11.328 1.00 . A A . 5 ARG HH12 1 1 16 10300 1 1 5 ARG HH21 H 2.806 -8.554 11.865 1.00 . A A . 5 ARG HH21 1 1 16 10301 1 1 5 ARG HH22 H 1.092 -8.327 11.775 1.00 . A A . 5 ARG HH22 1 1 16 10302 1 1 5 ARG N N 2.475 -3.267 7.144 1.00 . A A . 5 ARG N 1 1 16 10303 1 1 5 ARG NE N 3.409 -6.203 11.392 1.00 . A A . 5 ARG NE 1 1 16 10304 1 1 5 ARG NH1 N 1.166 -5.913 11.271 1.00 . A A . 5 ARG NH1 1 1 16 10305 1 1 5 ARG NH2 N 2.017 -7.956 11.721 1.00 . A A . 5 ARG NH2 1 1 16 10306 1 1 5 ARG O O 5.483 -4.545 7.501 1.00 . A A . 5 ARG O 1 1 16 10307 1 1 6 ALA C C 6.582 -3.212 3.701 1.00 . A A . 6 ALA C 1 1 16 10308 1 1 6 ALA CA C 6.298 -3.922 5.030 1.00 . A A . 6 ALA CA 1 1 16 10309 1 1 6 ALA CB C 5.858 -5.357 4.747 1.00 . A A . 6 ALA CB 1 1 16 10310 1 1 6 ALA H H 4.740 -2.456 5.377 1.00 . A A . 6 ALA H 1 1 16 10311 1 1 6 ALA HA H 7.200 -3.936 5.624 1.00 . A A . 6 ALA HA 1 1 16 10312 1 1 6 ALA HB1 H 5.079 -5.347 4.004 1.00 . A A . 6 ALA HB1 1 1 16 10313 1 1 6 ALA HB2 H 5.482 -5.806 5.653 1.00 . A A . 6 ALA HB2 1 1 16 10314 1 1 6 ALA HB3 H 6.699 -5.928 4.383 1.00 . A A . 6 ALA HB3 1 1 16 10315 1 1 6 ALA N N 5.222 -3.213 5.782 1.00 . A A . 6 ALA N 1 1 16 10316 1 1 6 ALA O O 5.708 -2.636 3.086 1.00 . A A . 6 ALA O 1 1 16 10317 1 1 7 TRP C C 7.282 -2.909 0.854 1.00 . A A . 7 TRP C 1 1 16 10318 1 1 7 TRP CA C 8.232 -2.574 2.010 1.00 . A A . 7 TRP CA 1 1 16 10319 1 1 7 TRP CB C 9.657 -3.010 1.664 1.00 . A A . 7 TRP CB 1 1 16 10320 1 1 7 TRP CD1 C 10.133 -1.326 -0.165 1.00 . A A . 7 TRP CD1 1 1 16 10321 1 1 7 TRP CD2 C 10.228 -3.453 -0.888 1.00 . A A . 7 TRP CD2 1 1 16 10322 1 1 7 TRP CE2 C 10.509 -2.634 -2.005 1.00 . A A . 7 TRP CE2 1 1 16 10323 1 1 7 TRP CE3 C 10.227 -4.846 -1.071 1.00 . A A . 7 TRP CE3 1 1 16 10324 1 1 7 TRP CG C 9.991 -2.601 0.266 1.00 . A A . 7 TRP CG 1 1 16 10325 1 1 7 TRP CH2 C 10.771 -4.567 -3.425 1.00 . A A . 7 TRP CH2 1 1 16 10326 1 1 7 TRP CZ2 C 10.777 -3.178 -3.261 1.00 . A A . 7 TRP CZ2 1 1 16 10327 1 1 7 TRP CZ3 C 10.497 -5.399 -2.332 1.00 . A A . 7 TRP CZ3 1 1 16 10328 1 1 7 TRP H H 8.495 -3.711 3.814 1.00 . A A . 7 TRP H 1 1 16 10329 1 1 7 TRP HA H 8.223 -1.508 2.161 1.00 . A A . 7 TRP HA 1 1 16 10330 1 1 7 TRP HB2 H 10.351 -2.541 2.346 1.00 . A A . 7 TRP HB2 1 1 16 10331 1 1 7 TRP HB3 H 9.737 -4.083 1.753 1.00 . A A . 7 TRP HB3 1 1 16 10332 1 1 7 TRP HD1 H 10.024 -0.441 0.445 1.00 . A A . 7 TRP HD1 1 1 16 10333 1 1 7 TRP HE1 H 10.589 -0.551 -2.072 1.00 . A A . 7 TRP HE1 1 1 16 10334 1 1 7 TRP HE3 H 10.018 -5.496 -0.234 1.00 . A A . 7 TRP HE3 1 1 16 10335 1 1 7 TRP HH2 H 10.979 -4.999 -4.393 1.00 . A A . 7 TRP HH2 1 1 16 10336 1 1 7 TRP HZ2 H 10.987 -2.532 -4.101 1.00 . A A . 7 TRP HZ2 1 1 16 10337 1 1 7 TRP HZ3 H 10.494 -6.471 -2.459 1.00 . A A . 7 TRP HZ3 1 1 16 10338 1 1 7 TRP N N 7.819 -3.246 3.278 1.00 . A A . 7 TRP N 1 1 16 10339 1 1 7 TRP NE1 N 10.437 -1.344 -1.515 1.00 . A A . 7 TRP NE1 1 1 16 10340 1 1 7 TRP O O 6.666 -3.955 0.805 1.00 . A A . 7 TRP O 1 1 16 10341 1 1 8 CYS C C 7.092 -2.064 -2.561 1.00 . A A . 8 CYS C 1 1 16 10342 1 1 8 CYS CA C 6.275 -2.173 -1.258 1.00 . A A . 8 CYS CA 1 1 16 10343 1 1 8 CYS CB C 5.236 -1.047 -1.237 1.00 . A A . 8 CYS CB 1 1 16 10344 1 1 8 CYS H H 7.686 -1.158 0.020 1.00 . A A . 8 CYS H 1 1 16 10345 1 1 8 CYS HA H 5.771 -3.140 -1.206 1.00 . A A . 8 CYS HA 1 1 16 10346 1 1 8 CYS HB2 H 5.543 -0.275 -0.556 1.00 . A A . 8 CYS HB2 1 1 16 10347 1 1 8 CYS HB3 H 5.137 -0.627 -2.229 1.00 . A A . 8 CYS HB3 1 1 16 10348 1 1 8 CYS N N 7.172 -1.991 -0.073 1.00 . A A . 8 CYS N 1 1 16 10349 1 1 8 CYS O O 8.105 -1.397 -2.611 1.00 . A A . 8 CYS O 1 1 16 10350 1 1 8 CYS SG S 3.646 -1.690 -0.711 1.00 . A A . 8 CYS SG 1 1 16 10351 1 1 9 LYS C C 6.531 -1.770 -5.915 1.00 . A A . 9 LYS C 1 1 16 10352 1 1 9 LYS CA C 7.375 -2.590 -4.926 1.00 . A A . 9 LYS CA 1 1 16 10353 1 1 9 LYS CB C 7.632 -3.993 -5.493 1.00 . A A . 9 LYS CB 1 1 16 10354 1 1 9 LYS CD C 9.590 -3.174 -6.839 1.00 . A A . 9 LYS CD 1 1 16 10355 1 1 9 LYS CE C 10.344 -3.394 -8.151 1.00 . A A . 9 LYS CE 1 1 16 10356 1 1 9 LYS CG C 8.243 -3.899 -6.896 1.00 . A A . 9 LYS CG 1 1 16 10357 1 1 9 LYS H H 5.811 -3.207 -3.571 1.00 . A A . 9 LYS H 1 1 16 10358 1 1 9 LYS HA H 8.319 -2.089 -4.766 1.00 . A A . 9 LYS HA 1 1 16 10359 1 1 9 LYS HB2 H 8.313 -4.521 -4.842 1.00 . A A . 9 LYS HB2 1 1 16 10360 1 1 9 LYS HB3 H 6.700 -4.533 -5.545 1.00 . A A . 9 LYS HB3 1 1 16 10361 1 1 9 LYS HD2 H 9.425 -2.117 -6.695 1.00 . A A . 9 LYS HD2 1 1 16 10362 1 1 9 LYS HD3 H 10.174 -3.564 -6.021 1.00 . A A . 9 LYS HD3 1 1 16 10363 1 1 9 LYS HE2 H 9.674 -3.239 -8.983 1.00 . A A . 9 LYS HE2 1 1 16 10364 1 1 9 LYS HE3 H 11.166 -2.696 -8.216 1.00 . A A . 9 LYS HE3 1 1 16 10365 1 1 9 LYS HG2 H 8.389 -4.896 -7.287 1.00 . A A . 9 LYS HG2 1 1 16 10366 1 1 9 LYS HG3 H 7.572 -3.358 -7.547 1.00 . A A . 9 LYS HG3 1 1 16 10367 1 1 9 LYS HZ1 H 10.404 -5.355 -7.458 1.00 . A A . 9 LYS HZ1 1 1 16 10368 1 1 9 LYS HZ2 H 11.896 -4.774 -8.014 1.00 . A A . 9 LYS HZ2 1 1 16 10369 1 1 9 LYS HZ3 H 10.686 -5.202 -9.126 1.00 . A A . 9 LYS HZ3 1 1 16 10370 1 1 9 LYS N N 6.642 -2.690 -3.623 1.00 . A A . 9 LYS N 1 1 16 10371 1 1 9 LYS NZ N 10.872 -4.786 -8.190 1.00 . A A . 9 LYS NZ 1 1 16 10372 1 1 9 LYS O O 7.048 -1.095 -6.780 1.00 . A A . 9 LYS O 1 1 16 10373 1 1 10 GLU C C 2.924 -1.050 -6.130 1.00 . A A . 10 GLU C 1 1 16 10374 1 1 10 GLU CA C 4.337 -1.035 -6.684 1.00 . A A . 10 GLU CA 1 1 16 10375 1 1 10 GLU CB C 4.310 -1.627 -8.096 1.00 . A A . 10 GLU CB 1 1 16 10376 1 1 10 GLU CD C 2.637 -1.156 -9.915 1.00 . A A . 10 GLU CD 1 1 16 10377 1 1 10 GLU CG C 3.799 -0.577 -9.103 1.00 . A A . 10 GLU CG 1 1 16 10378 1 1 10 GLU H H 4.841 -2.354 -5.056 1.00 . A A . 10 GLU H 1 1 16 10379 1 1 10 GLU HA H 4.687 -0.012 -6.731 1.00 . A A . 10 GLU HA 1 1 16 10380 1 1 10 GLU HB2 H 5.296 -1.919 -8.366 1.00 . A A . 10 GLU HB2 1 1 16 10381 1 1 10 GLU HB3 H 3.662 -2.491 -8.112 1.00 . A A . 10 GLU HB3 1 1 16 10382 1 1 10 GLU HG2 H 3.465 0.306 -8.577 1.00 . A A . 10 GLU HG2 1 1 16 10383 1 1 10 GLU HG3 H 4.599 -0.306 -9.777 1.00 . A A . 10 GLU HG3 1 1 16 10384 1 1 10 GLU N N 5.233 -1.816 -5.774 1.00 . A A . 10 GLU N 1 1 16 10385 1 1 10 GLU O O 2.679 -1.514 -5.040 1.00 . A A . 10 GLU O 1 1 16 10386 1 1 10 GLU OE1 O 2.903 -1.883 -10.858 1.00 . A A . 10 GLU OE1 1 1 16 10387 1 1 10 GLU OE2 O 1.500 -0.859 -9.581 1.00 . A A . 10 GLU OE2 1 1 16 10388 1 1 11 LYS C C -0.038 -1.874 -6.261 1.00 . A A . 11 LYS C 1 1 16 10389 1 1 11 LYS CA C 0.583 -0.475 -6.395 1.00 . A A . 11 LYS CA 1 1 16 10390 1 1 11 LYS CB C -0.267 0.360 -7.357 1.00 . A A . 11 LYS CB 1 1 16 10391 1 1 11 LYS CD C -2.513 1.428 -7.680 1.00 . A A . 11 LYS CD 1 1 16 10392 1 1 11 LYS CE C -2.102 2.895 -7.470 1.00 . A A . 11 LYS CE 1 1 16 10393 1 1 11 LYS CG C -1.678 0.510 -6.779 1.00 . A A . 11 LYS CG 1 1 16 10394 1 1 11 LYS H H 2.247 -0.166 -7.754 1.00 . A A . 11 LYS H 1 1 16 10395 1 1 11 LYS HA H 0.571 0.040 -5.426 1.00 . A A . 11 LYS HA 1 1 16 10396 1 1 11 LYS HB2 H 0.181 1.336 -7.480 1.00 . A A . 11 LYS HB2 1 1 16 10397 1 1 11 LYS HB3 H -0.323 -0.135 -8.314 1.00 . A A . 11 LYS HB3 1 1 16 10398 1 1 11 LYS HD2 H -2.356 1.153 -8.713 1.00 . A A . 11 LYS HD2 1 1 16 10399 1 1 11 LYS HD3 H -3.559 1.314 -7.435 1.00 . A A . 11 LYS HD3 1 1 16 10400 1 1 11 LYS HE2 H -1.328 2.960 -6.719 1.00 . A A . 11 LYS HE2 1 1 16 10401 1 1 11 LYS HE3 H -1.732 3.301 -8.401 1.00 . A A . 11 LYS HE3 1 1 16 10402 1 1 11 LYS HG2 H -2.147 -0.463 -6.727 1.00 . A A . 11 LYS HG2 1 1 16 10403 1 1 11 LYS HG3 H -1.619 0.932 -5.787 1.00 . A A . 11 LYS HG3 1 1 16 10404 1 1 11 LYS HZ1 H -3.748 3.201 -6.230 1.00 . A A . 11 LYS HZ1 1 1 16 10405 1 1 11 LYS HZ2 H -3.965 3.763 -7.814 1.00 . A A . 11 LYS HZ2 1 1 16 10406 1 1 11 LYS HZ3 H -2.985 4.633 -6.732 1.00 . A A . 11 LYS HZ3 1 1 16 10407 1 1 11 LYS N N 2.000 -0.529 -6.877 1.00 . A A . 11 LYS N 1 1 16 10408 1 1 11 LYS NZ N -3.290 3.682 -7.028 1.00 . A A . 11 LYS NZ 1 1 16 10409 1 1 11 LYS O O -0.626 -2.197 -5.248 1.00 . A A . 11 LYS O 1 1 16 10410 1 1 12 LYS C C 0.426 -4.995 -6.424 1.00 . A A . 12 LYS C 1 1 16 10411 1 1 12 LYS CA C -0.545 -4.072 -7.150 1.00 . A A . 12 LYS CA 1 1 16 10412 1 1 12 LYS CB C -0.858 -4.634 -8.543 1.00 . A A . 12 LYS CB 1 1 16 10413 1 1 12 LYS CD C -2.007 -6.496 -9.774 1.00 . A A . 12 LYS CD 1 1 16 10414 1 1 12 LYS CE C -2.766 -7.816 -9.604 1.00 . A A . 12 LYS CE 1 1 16 10415 1 1 12 LYS CG C -1.591 -5.974 -8.397 1.00 . A A . 12 LYS CG 1 1 16 10416 1 1 12 LYS H H 0.534 -2.444 -8.082 1.00 . A A . 12 LYS H 1 1 16 10417 1 1 12 LYS HA H -1.461 -4.005 -6.580 1.00 . A A . 12 LYS HA 1 1 16 10418 1 1 12 LYS HB2 H -1.483 -3.936 -9.080 1.00 . A A . 12 LYS HB2 1 1 16 10419 1 1 12 LYS HB3 H 0.063 -4.787 -9.086 1.00 . A A . 12 LYS HB3 1 1 16 10420 1 1 12 LYS HD2 H -2.647 -5.771 -10.257 1.00 . A A . 12 LYS HD2 1 1 16 10421 1 1 12 LYS HD3 H -1.129 -6.663 -10.377 1.00 . A A . 12 LYS HD3 1 1 16 10422 1 1 12 LYS HE2 H -2.111 -8.553 -9.160 1.00 . A A . 12 LYS HE2 1 1 16 10423 1 1 12 LYS HE3 H -3.618 -7.661 -8.959 1.00 . A A . 12 LYS HE3 1 1 16 10424 1 1 12 LYS HG2 H -0.934 -6.692 -7.930 1.00 . A A . 12 LYS HG2 1 1 16 10425 1 1 12 LYS HG3 H -2.470 -5.838 -7.784 1.00 . A A . 12 LYS HG3 1 1 16 10426 1 1 12 LYS HZ1 H -3.566 -9.283 -10.845 1.00 . A A . 12 LYS HZ1 1 1 16 10427 1 1 12 LYS HZ2 H -2.447 -8.263 -11.613 1.00 . A A . 12 LYS HZ2 1 1 16 10428 1 1 12 LYS HZ3 H -4.011 -7.698 -11.264 1.00 . A A . 12 LYS HZ3 1 1 16 10429 1 1 12 LYS N N 0.067 -2.710 -7.263 1.00 . A A . 12 LYS N 1 1 16 10430 1 1 12 LYS NZ N -3.233 -8.301 -10.933 1.00 . A A . 12 LYS NZ 1 1 16 10431 1 1 12 LYS O O 0.086 -6.093 -6.031 1.00 . A A . 12 LYS O 1 1 16 10432 1 1 13 ASP C C 2.303 -5.445 -4.049 1.00 . A A . 13 ASP C 1 1 16 10433 1 1 13 ASP CA C 2.636 -5.370 -5.541 1.00 . A A . 13 ASP CA 1 1 16 10434 1 1 13 ASP CB C 3.995 -4.713 -5.736 1.00 . A A . 13 ASP CB 1 1 16 10435 1 1 13 ASP CG C 4.606 -5.143 -7.075 1.00 . A A . 13 ASP CG 1 1 16 10436 1 1 13 ASP H H 1.883 -3.661 -6.554 1.00 . A A . 13 ASP H 1 1 16 10437 1 1 13 ASP HA H 2.649 -6.365 -5.958 1.00 . A A . 13 ASP HA 1 1 16 10438 1 1 13 ASP HB2 H 3.864 -3.645 -5.733 1.00 . A A . 13 ASP HB2 1 1 16 10439 1 1 13 ASP HB3 H 4.643 -4.994 -4.936 1.00 . A A . 13 ASP HB3 1 1 16 10440 1 1 13 ASP N N 1.631 -4.550 -6.238 1.00 . A A . 13 ASP N 1 1 16 10441 1 1 13 ASP O O 2.963 -6.131 -3.296 1.00 . A A . 13 ASP O 1 1 16 10442 1 1 13 ASP OD1 O 4.186 -6.160 -7.602 1.00 . A A . 13 ASP OD1 1 1 16 10443 1 1 13 ASP OD2 O 5.485 -4.444 -7.551 1.00 . A A . 13 ASP OD2 1 1 16 10444 1 1 14 CYS C C 0.033 -6.009 -1.920 1.00 . A A . 14 CYS C 1 1 16 10445 1 1 14 CYS CA C 0.935 -4.807 -2.159 1.00 . A A . 14 CYS CA 1 1 16 10446 1 1 14 CYS CB C 0.170 -3.552 -1.743 1.00 . A A . 14 CYS CB 1 1 16 10447 1 1 14 CYS H H 0.761 -4.203 -4.225 1.00 . A A . 14 CYS H 1 1 16 10448 1 1 14 CYS HA H 1.833 -4.901 -1.566 1.00 . A A . 14 CYS HA 1 1 16 10449 1 1 14 CYS HB2 H 0.685 -2.677 -2.068 1.00 . A A . 14 CYS HB2 1 1 16 10450 1 1 14 CYS HB3 H -0.815 -3.570 -2.183 1.00 . A A . 14 CYS HB3 1 1 16 10451 1 1 14 CYS N N 1.288 -4.752 -3.608 1.00 . A A . 14 CYS N 1 1 16 10452 1 1 14 CYS O O -0.717 -6.417 -2.783 1.00 . A A . 14 CYS O 1 1 16 10453 1 1 14 CYS SG S 0.019 -3.521 0.053 1.00 . A A . 14 CYS SG 1 1 16 10454 1 1 15 CYS C C -2.206 -7.385 -0.673 1.00 . A A . 15 CYS C 1 1 16 10455 1 1 15 CYS CA C -0.739 -7.753 -0.463 1.00 . A A . 15 CYS CA 1 1 16 10456 1 1 15 CYS CB C -0.507 -8.158 0.982 1.00 . A A . 15 CYS CB 1 1 16 10457 1 1 15 CYS H H 0.708 -6.252 -0.065 1.00 . A A . 15 CYS H 1 1 16 10458 1 1 15 CYS HA H -0.472 -8.569 -1.117 1.00 . A A . 15 CYS HA 1 1 16 10459 1 1 15 CYS HB2 H -0.813 -7.354 1.633 1.00 . A A . 15 CYS HB2 1 1 16 10460 1 1 15 CYS HB3 H -1.079 -9.030 1.197 1.00 . A A . 15 CYS HB3 1 1 16 10461 1 1 15 CYS N N 0.101 -6.585 -0.753 1.00 . A A . 15 CYS N 1 1 16 10462 1 1 15 CYS O O -2.614 -6.263 -0.456 1.00 . A A . 15 CYS O 1 1 16 10463 1 1 15 CYS SG S 1.248 -8.504 1.245 1.00 . A A . 15 CYS SG 1 1 16 10464 1 1 16 CYS C C -5.029 -7.392 -0.061 1.00 . A A . 16 CYS C 1 1 16 10465 1 1 16 CYS CA C -4.440 -8.035 -1.321 1.00 . A A . 16 CYS CA 1 1 16 10466 1 1 16 CYS CB C -5.162 -9.355 -1.632 1.00 . A A . 16 CYS CB 1 1 16 10467 1 1 16 CYS H H -2.648 -9.224 -1.266 1.00 . A A . 16 CYS H 1 1 16 10468 1 1 16 CYS HA H -4.546 -7.357 -2.156 1.00 . A A . 16 CYS HA 1 1 16 10469 1 1 16 CYS HB2 H -4.466 -10.174 -1.527 1.00 . A A . 16 CYS HB2 1 1 16 10470 1 1 16 CYS HB3 H -5.977 -9.494 -0.945 1.00 . A A . 16 CYS HB3 1 1 16 10471 1 1 16 CYS N N -3.000 -8.325 -1.095 1.00 . A A . 16 CYS N 1 1 16 10472 1 1 16 CYS O O -4.800 -7.843 1.043 1.00 . A A . 16 CYS O 1 1 16 10473 1 1 16 CYS SG S -5.796 -9.330 -3.331 1.00 . A A . 16 CYS SG 1 1 16 10474 1 1 17 GLY C C -5.487 -4.505 1.408 1.00 . A A . 17 GLY C 1 1 16 10475 1 1 17 GLY CA C -6.388 -5.656 0.964 1.00 . A A . 17 GLY CA 1 1 16 10476 1 1 17 GLY H H -5.953 -5.988 -1.122 1.00 . A A . 17 GLY H 1 1 16 10477 1 1 17 GLY HA2 H -7.360 -5.269 0.697 1.00 . A A . 17 GLY HA2 1 1 16 10478 1 1 17 GLY HA3 H -6.491 -6.362 1.774 1.00 . A A . 17 GLY HA3 1 1 16 10479 1 1 17 GLY N N -5.784 -6.336 -0.220 1.00 . A A . 17 GLY N 1 1 16 10480 1 1 17 GLY O O -5.788 -3.799 2.352 1.00 . A A . 17 GLY O 1 1 16 10481 1 1 18 TYR C C -2.998 -2.429 -0.110 1.00 . A A . 18 TYR C 1 1 16 10482 1 1 18 TYR CA C -3.454 -3.205 1.128 1.00 . A A . 18 TYR CA 1 1 16 10483 1 1 18 TYR CB C -2.224 -3.786 1.818 1.00 . A A . 18 TYR CB 1 1 16 10484 1 1 18 TYR CD1 C -2.754 -3.459 4.239 1.00 . A A . 18 TYR CD1 1 1 16 10485 1 1 18 TYR CD2 C -2.703 -5.708 3.354 1.00 . A A . 18 TYR CD2 1 1 16 10486 1 1 18 TYR CE1 C -3.055 -3.961 5.508 1.00 . A A . 18 TYR CE1 1 1 16 10487 1 1 18 TYR CE2 C -3.007 -6.216 4.621 1.00 . A A . 18 TYR CE2 1 1 16 10488 1 1 18 TYR CG C -2.580 -4.332 3.167 1.00 . A A . 18 TYR CG 1 1 16 10489 1 1 18 TYR CZ C -3.181 -5.342 5.701 1.00 . A A . 18 TYR CZ 1 1 16 10490 1 1 18 TYR H H -4.146 -4.922 -0.053 1.00 . A A . 18 TYR H 1 1 16 10491 1 1 18 TYR HA H -3.956 -2.530 1.806 1.00 . A A . 18 TYR HA 1 1 16 10492 1 1 18 TYR HB2 H -1.822 -4.582 1.213 1.00 . A A . 18 TYR HB2 1 1 16 10493 1 1 18 TYR HB3 H -1.483 -3.010 1.936 1.00 . A A . 18 TYR HB3 1 1 16 10494 1 1 18 TYR HD1 H -2.655 -2.394 4.085 1.00 . A A . 18 TYR HD1 1 1 16 10495 1 1 18 TYR HD2 H -2.573 -6.378 2.517 1.00 . A A . 18 TYR HD2 1 1 16 10496 1 1 18 TYR HE1 H -3.191 -3.286 6.335 1.00 . A A . 18 TYR HE1 1 1 16 10497 1 1 18 TYR HE2 H -3.095 -7.280 4.768 1.00 . A A . 18 TYR HE2 1 1 16 10498 1 1 18 TYR HH H -3.043 -6.696 7.041 1.00 . A A . 18 TYR HH 1 1 16 10499 1 1 18 TYR N N -4.380 -4.310 0.742 1.00 . A A . 18 TYR N 1 1 16 10500 1 1 18 TYR O O -2.885 -2.969 -1.193 1.00 . A A . 18 TYR O 1 1 16 10501 1 1 18 TYR OH O -3.475 -5.843 6.953 1.00 . A A . 18 TYR OH 1 1 16 10502 1 1 19 ASN C C -0.754 -0.090 -0.884 1.00 . A A . 19 ASN C 1 1 16 10503 1 1 19 ASN CA C -2.238 -0.326 -1.086 1.00 . A A . 19 ASN CA 1 1 16 10504 1 1 19 ASN CB C -3.028 0.984 -1.122 1.00 . A A . 19 ASN CB 1 1 16 10505 1 1 19 ASN CG C -2.495 1.872 -2.248 1.00 . A A . 19 ASN CG 1 1 16 10506 1 1 19 ASN H H -2.801 -0.762 0.945 1.00 . A A . 19 ASN H 1 1 16 10507 1 1 19 ASN HA H -2.374 -0.858 -2.017 1.00 . A A . 19 ASN HA 1 1 16 10508 1 1 19 ASN HB2 H -4.073 0.771 -1.294 1.00 . A A . 19 ASN HB2 1 1 16 10509 1 1 19 ASN HB3 H -2.914 1.498 -0.178 1.00 . A A . 19 ASN HB3 1 1 16 10510 1 1 19 ASN HD21 H -2.092 3.397 -1.043 1.00 . A A . 19 ASN HD21 1 1 16 10511 1 1 19 ASN HD22 H -1.725 3.650 -2.681 1.00 . A A . 19 ASN HD22 1 1 16 10512 1 1 19 ASN N N -2.715 -1.163 0.056 1.00 . A A . 19 ASN N 1 1 16 10513 1 1 19 ASN ND2 N -2.069 3.072 -1.967 1.00 . A A . 19 ASN ND2 1 1 16 10514 1 1 19 ASN O O -0.297 0.146 0.226 1.00 . A A . 19 ASN O 1 1 16 10515 1 1 19 ASN OD1 O -2.463 1.468 -3.394 1.00 . A A . 19 ASN OD1 1 1 16 10516 1 1 20 CYS C C 1.645 1.927 -1.820 1.00 . A A . 20 CYS C 1 1 16 10517 1 1 20 CYS CA C 1.448 0.409 -1.774 1.00 . A A . 20 CYS CA 1 1 16 10518 1 1 20 CYS CB C 2.211 -0.251 -2.913 1.00 . A A . 20 CYS CB 1 1 16 10519 1 1 20 CYS H H -0.357 -0.024 -2.832 1.00 . A A . 20 CYS H 1 1 16 10520 1 1 20 CYS HA H 1.799 0.028 -0.829 1.00 . A A . 20 CYS HA 1 1 16 10521 1 1 20 CYS HB2 H 1.574 -0.288 -3.768 1.00 . A A . 20 CYS HB2 1 1 16 10522 1 1 20 CYS HB3 H 3.077 0.322 -3.149 1.00 . A A . 20 CYS HB3 1 1 16 10523 1 1 20 CYS N N 0.090 0.098 -1.936 1.00 . A A . 20 CYS N 1 1 16 10524 1 1 20 CYS O O 1.037 2.614 -2.616 1.00 . A A . 20 CYS O 1 1 16 10525 1 1 20 CYS SG S 2.683 -1.938 -2.456 1.00 . A A . 20 CYS SG 1 1 16 10526 1 1 21 VAL C C 4.179 4.262 -0.827 1.00 . A A . 21 VAL C 1 1 16 10527 1 1 21 VAL CA C 2.691 3.933 -0.935 1.00 . A A . 21 VAL CA 1 1 16 10528 1 1 21 VAL CB C 1.949 4.530 0.264 1.00 . A A . 21 VAL CB 1 1 16 10529 1 1 21 VAL CG1 C 2.410 5.974 0.495 1.00 . A A . 21 VAL CG1 1 1 16 10530 1 1 21 VAL CG2 C 0.444 4.514 -0.012 1.00 . A A . 21 VAL CG2 1 1 16 10531 1 1 21 VAL H H 2.945 1.880 -0.316 1.00 . A A . 21 VAL H 1 1 16 10532 1 1 21 VAL HA H 2.300 4.368 -1.843 1.00 . A A . 21 VAL HA 1 1 16 10533 1 1 21 VAL HB H 2.160 3.941 1.144 1.00 . A A . 21 VAL HB 1 1 16 10534 1 1 21 VAL HG11 H 3.340 5.971 1.045 1.00 . A A . 21 VAL HG11 1 1 16 10535 1 1 21 VAL HG12 H 1.660 6.508 1.062 1.00 . A A . 21 VAL HG12 1 1 16 10536 1 1 21 VAL HG13 H 2.558 6.462 -0.456 1.00 . A A . 21 VAL HG13 1 1 16 10537 1 1 21 VAL HG21 H 0.178 3.601 -0.522 1.00 . A A . 21 VAL HG21 1 1 16 10538 1 1 21 VAL HG22 H 0.181 5.360 -0.631 1.00 . A A . 21 VAL HG22 1 1 16 10539 1 1 21 VAL HG23 H -0.090 4.574 0.922 1.00 . A A . 21 VAL HG23 1 1 16 10540 1 1 21 VAL N N 2.474 2.454 -0.958 1.00 . A A . 21 VAL N 1 1 16 10541 1 1 21 VAL O O 4.911 3.657 -0.070 1.00 . A A . 21 VAL O 1 1 16 10542 1 1 22 TYR C C 6.320 6.248 -0.123 1.00 . A A . 22 TYR C 1 1 16 10543 1 1 22 TYR CA C 6.052 5.636 -1.507 1.00 . A A . 22 TYR CA 1 1 16 10544 1 1 22 TYR CB C 6.316 6.675 -2.605 1.00 . A A . 22 TYR CB 1 1 16 10545 1 1 22 TYR CD1 C 8.775 6.565 -2.014 1.00 . A A . 22 TYR CD1 1 1 16 10546 1 1 22 TYR CD2 C 8.141 6.893 -4.329 1.00 . A A . 22 TYR CD2 1 1 16 10547 1 1 22 TYR CE1 C 10.125 6.615 -2.377 1.00 . A A . 22 TYR CE1 1 1 16 10548 1 1 22 TYR CE2 C 9.491 6.948 -4.692 1.00 . A A . 22 TYR CE2 1 1 16 10549 1 1 22 TYR CG C 7.781 6.705 -2.988 1.00 . A A . 22 TYR CG 1 1 16 10550 1 1 22 TYR CZ C 10.484 6.809 -3.716 1.00 . A A . 22 TYR CZ 1 1 16 10551 1 1 22 TYR H H 3.979 5.732 -2.205 1.00 . A A . 22 TYR H 1 1 16 10552 1 1 22 TYR HA H 6.684 4.773 -1.657 1.00 . A A . 22 TYR HA 1 1 16 10553 1 1 22 TYR HB2 H 5.728 6.424 -3.474 1.00 . A A . 22 TYR HB2 1 1 16 10554 1 1 22 TYR HB3 H 6.021 7.652 -2.249 1.00 . A A . 22 TYR HB3 1 1 16 10555 1 1 22 TYR HD1 H 8.503 6.410 -0.986 1.00 . A A . 22 TYR HD1 1 1 16 10556 1 1 22 TYR HD2 H 7.375 6.999 -5.082 1.00 . A A . 22 TYR HD2 1 1 16 10557 1 1 22 TYR HE1 H 10.891 6.509 -1.623 1.00 . A A . 22 TYR HE1 1 1 16 10558 1 1 22 TYR HE2 H 9.767 7.093 -5.727 1.00 . A A . 22 TYR HE2 1 1 16 10559 1 1 22 TYR HH H 12.036 6.056 -4.532 1.00 . A A . 22 TYR HH 1 1 16 10560 1 1 22 TYR N N 4.622 5.236 -1.571 1.00 . A A . 22 TYR N 1 1 16 10561 1 1 22 TYR O O 5.958 7.373 0.155 1.00 . A A . 22 TYR O 1 1 16 10562 1 1 22 TYR OH O 11.816 6.869 -4.073 1.00 . A A . 22 TYR OH 1 1 16 10563 1 1 23 ALA C C 8.659 6.605 2.105 1.00 . A A . 23 ALA C 1 1 16 10564 1 1 23 ALA CA C 7.268 6.004 2.111 1.00 . A A . 23 ALA CA 1 1 16 10565 1 1 23 ALA CB C 7.192 4.831 3.101 1.00 . A A . 23 ALA CB 1 1 16 10566 1 1 23 ALA H H 7.243 4.610 0.483 1.00 . A A . 23 ALA H 1 1 16 10567 1 1 23 ALA HA H 6.568 6.768 2.404 1.00 . A A . 23 ALA HA 1 1 16 10568 1 1 23 ALA HB1 H 7.364 3.906 2.571 1.00 . A A . 23 ALA HB1 1 1 16 10569 1 1 23 ALA HB2 H 6.212 4.808 3.553 1.00 . A A . 23 ALA HB2 1 1 16 10570 1 1 23 ALA HB3 H 7.938 4.947 3.871 1.00 . A A . 23 ALA HB3 1 1 16 10571 1 1 23 ALA N N 6.957 5.504 0.740 1.00 . A A . 23 ALA N 1 1 16 10572 1 1 23 ALA O O 9.188 6.942 1.069 1.00 . A A . 23 ALA O 1 1 16 10573 1 1 24 TRP C C 10.948 8.031 2.018 1.00 . A A . 24 TRP C 1 1 16 10574 1 1 24 TRP CA C 10.598 7.360 3.347 1.00 . A A . 24 TRP CA 1 1 16 10575 1 1 24 TRP CB C 11.617 6.252 3.679 1.00 . A A . 24 TRP CB 1 1 16 10576 1 1 24 TRP CD1 C 12.177 7.611 5.760 1.00 . A A . 24 TRP CD1 1 1 16 10577 1 1 24 TRP CD2 C 13.225 5.622 5.702 1.00 . A A . 24 TRP CD2 1 1 16 10578 1 1 24 TRP CE2 C 13.634 6.261 6.895 1.00 . A A . 24 TRP CE2 1 1 16 10579 1 1 24 TRP CE3 C 13.742 4.343 5.422 1.00 . A A . 24 TRP CE3 1 1 16 10580 1 1 24 TRP CG C 12.307 6.503 4.992 1.00 . A A . 24 TRP CG 1 1 16 10581 1 1 24 TRP CH2 C 15.028 4.379 7.489 1.00 . A A . 24 TRP CH2 1 1 16 10582 1 1 24 TRP CZ2 C 14.525 5.651 7.783 1.00 . A A . 24 TRP CZ2 1 1 16 10583 1 1 24 TRP CZ3 C 14.636 3.728 6.312 1.00 . A A . 24 TRP CZ3 1 1 16 10584 1 1 24 TRP H H 8.773 6.492 4.070 1.00 . A A . 24 TRP H 1 1 16 10585 1 1 24 TRP HA H 10.594 8.100 4.113 1.00 . A A . 24 TRP HA 1 1 16 10586 1 1 24 TRP HB2 H 11.096 5.314 3.750 1.00 . A A . 24 TRP HB2 1 1 16 10587 1 1 24 TRP HB3 H 12.357 6.188 2.895 1.00 . A A . 24 TRP HB3 1 1 16 10588 1 1 24 TRP HD1 H 11.560 8.466 5.533 1.00 . A A . 24 TRP HD1 1 1 16 10589 1 1 24 TRP HE1 H 13.060 8.137 7.594 1.00 . A A . 24 TRP HE1 1 1 16 10590 1 1 24 TRP HE3 H 13.445 3.829 4.520 1.00 . A A . 24 TRP HE3 1 1 16 10591 1 1 24 TRP HH2 H 15.717 3.900 8.170 1.00 . A A . 24 TRP HH2 1 1 16 10592 1 1 24 TRP HZ2 H 14.824 6.158 8.689 1.00 . A A . 24 TRP HZ2 1 1 16 10593 1 1 24 TRP HZ3 H 15.026 2.745 6.087 1.00 . A A . 24 TRP HZ3 1 1 16 10594 1 1 24 TRP N N 9.243 6.758 3.256 1.00 . A A . 24 TRP N 1 1 16 10595 1 1 24 TRP NE1 N 12.969 7.471 6.884 1.00 . A A . 24 TRP NE1 1 1 16 10596 1 1 24 TRP O O 11.421 7.408 1.088 1.00 . A A . 24 TRP O 1 1 16 10597 1 1 25 TYR C C 12.399 9.804 0.204 1.00 . A A . 25 TYR C 1 1 16 10598 1 1 25 TYR CA C 10.982 10.082 0.700 1.00 . A A . 25 TYR CA 1 1 16 10599 1 1 25 TYR CB C 10.831 11.577 1.001 1.00 . A A . 25 TYR CB 1 1 16 10600 1 1 25 TYR CD1 C 12.520 11.413 2.898 1.00 . A A . 25 TYR CD1 1 1 16 10601 1 1 25 TYR CD2 C 12.670 13.269 1.342 1.00 . A A . 25 TYR CD2 1 1 16 10602 1 1 25 TYR CE1 C 13.627 11.909 3.595 1.00 . A A . 25 TYR CE1 1 1 16 10603 1 1 25 TYR CE2 C 13.777 13.765 2.044 1.00 . A A . 25 TYR CE2 1 1 16 10604 1 1 25 TYR CG C 12.037 12.093 1.765 1.00 . A A . 25 TYR CG 1 1 16 10605 1 1 25 TYR CZ C 14.255 13.084 3.171 1.00 . A A . 25 TYR CZ 1 1 16 10606 1 1 25 TYR H H 10.297 9.794 2.757 1.00 . A A . 25 TYR H 1 1 16 10607 1 1 25 TYR HA H 10.276 9.802 -0.065 1.00 . A A . 25 TYR HA 1 1 16 10608 1 1 25 TYR HB2 H 10.737 12.117 0.071 1.00 . A A . 25 TYR HB2 1 1 16 10609 1 1 25 TYR HB3 H 9.941 11.730 1.593 1.00 . A A . 25 TYR HB3 1 1 16 10610 1 1 25 TYR HD1 H 12.047 10.503 3.231 1.00 . A A . 25 TYR HD1 1 1 16 10611 1 1 25 TYR HD2 H 12.304 13.795 0.474 1.00 . A A . 25 TYR HD2 1 1 16 10612 1 1 25 TYR HE1 H 13.995 11.387 4.466 1.00 . A A . 25 TYR HE1 1 1 16 10613 1 1 25 TYR HE2 H 14.262 14.671 1.714 1.00 . A A . 25 TYR HE2 1 1 16 10614 1 1 25 TYR HH H 16.039 13.762 3.232 1.00 . A A . 25 TYR HH 1 1 16 10615 1 1 25 TYR N N 10.698 9.309 1.941 1.00 . A A . 25 TYR N 1 1 16 10616 1 1 25 TYR O O 12.850 10.382 -0.764 1.00 . A A . 25 TYR O 1 1 16 10617 1 1 25 TYR OH O 15.344 13.569 3.865 1.00 . A A . 25 TYR OH 1 1 16 10618 1 1 26 ASN C C 14.419 7.621 -0.749 1.00 . A A . 26 ASN C 1 1 16 10619 1 1 26 ASN CA C 14.483 8.615 0.413 1.00 . A A . 26 ASN CA 1 1 16 10620 1 1 26 ASN CB C 15.239 7.980 1.580 1.00 . A A . 26 ASN CB 1 1 16 10621 1 1 26 ASN CG C 14.856 8.679 2.882 1.00 . A A . 26 ASN CG 1 1 16 10622 1 1 26 ASN H H 12.723 8.470 1.629 1.00 . A A . 26 ASN H 1 1 16 10623 1 1 26 ASN HA H 14.983 9.516 0.098 1.00 . A A . 26 ASN HA 1 1 16 10624 1 1 26 ASN HB2 H 14.992 6.930 1.646 1.00 . A A . 26 ASN HB2 1 1 16 10625 1 1 26 ASN HB3 H 16.296 8.091 1.418 1.00 . A A . 26 ASN HB3 1 1 16 10626 1 1 26 ASN HD21 H 12.930 8.227 2.716 1.00 . A A . 26 ASN HD21 1 1 16 10627 1 1 26 ASN HD22 H 13.350 9.112 4.101 1.00 . A A . 26 ASN HD22 1 1 16 10628 1 1 26 ASN N N 13.102 8.926 0.853 1.00 . A A . 26 ASN N 1 1 16 10629 1 1 26 ASN ND2 N 13.608 8.674 3.264 1.00 . A A . 26 ASN ND2 1 1 16 10630 1 1 26 ASN O O 14.934 7.871 -1.820 1.00 . A A . 26 ASN O 1 1 16 10631 1 1 26 ASN OD1 O 15.696 9.233 3.561 1.00 . A A . 26 ASN OD1 1 1 16 10632 1 1 27 GLN C C 13.027 4.201 -1.035 1.00 . A A . 27 GLN C 1 1 16 10633 1 1 27 GLN CA C 13.668 5.479 -1.624 1.00 . A A . 27 GLN CA 1 1 16 10634 1 1 27 GLN CB C 15.083 5.232 -2.221 1.00 . A A . 27 GLN CB 1 1 16 10635 1 1 27 GLN CD C 15.778 3.401 -0.664 1.00 . A A . 27 GLN CD 1 1 16 10636 1 1 27 GLN CG C 15.522 3.763 -2.130 1.00 . A A . 27 GLN CG 1 1 16 10637 1 1 27 GLN H H 13.366 6.328 0.326 1.00 . A A . 27 GLN H 1 1 16 10638 1 1 27 GLN HA H 13.020 5.868 -2.390 1.00 . A A . 27 GLN HA 1 1 16 10639 1 1 27 GLN HB2 H 15.081 5.528 -3.259 1.00 . A A . 27 GLN HB2 1 1 16 10640 1 1 27 GLN HB3 H 15.803 5.838 -1.690 1.00 . A A . 27 GLN HB3 1 1 16 10641 1 1 27 GLN HE21 H 14.733 4.934 0.051 1.00 . A A . 27 GLN HE21 1 1 16 10642 1 1 27 GLN HE22 H 15.432 3.924 1.223 1.00 . A A . 27 GLN HE22 1 1 16 10643 1 1 27 GLN HG2 H 14.762 3.123 -2.546 1.00 . A A . 27 GLN HG2 1 1 16 10644 1 1 27 GLN HG3 H 16.437 3.636 -2.688 1.00 . A A . 27 GLN HG3 1 1 16 10645 1 1 27 GLN N N 13.779 6.498 -0.543 1.00 . A A . 27 GLN N 1 1 16 10646 1 1 27 GLN NE2 N 15.271 4.148 0.283 1.00 . A A . 27 GLN NE2 1 1 16 10647 1 1 27 GLN O O 13.376 3.091 -1.369 1.00 . A A . 27 GLN O 1 1 16 10648 1 1 27 GLN OE1 O 16.455 2.431 -0.378 1.00 . A A . 27 GLN OE1 1 1 16 10649 1 1 28 GLN C C 9.910 3.189 0.217 1.00 . A A . 28 GLN C 1 1 16 10650 1 1 28 GLN CA C 11.421 3.169 0.478 1.00 . A A . 28 GLN CA 1 1 16 10651 1 1 28 GLN CB C 11.657 3.222 1.987 1.00 . A A . 28 GLN CB 1 1 16 10652 1 1 28 GLN CD C 12.381 0.853 2.323 1.00 . A A . 28 GLN CD 1 1 16 10653 1 1 28 GLN CG C 11.295 1.882 2.633 1.00 . A A . 28 GLN CG 1 1 16 10654 1 1 28 GLN H H 11.805 5.265 0.117 1.00 . A A . 28 GLN H 1 1 16 10655 1 1 28 GLN HA H 11.846 2.260 0.079 1.00 . A A . 28 GLN HA 1 1 16 10656 1 1 28 GLN HB2 H 12.694 3.447 2.181 1.00 . A A . 28 GLN HB2 1 1 16 10657 1 1 28 GLN HB3 H 11.039 3.993 2.407 1.00 . A A . 28 GLN HB3 1 1 16 10658 1 1 28 GLN HE21 H 11.088 -0.582 1.871 1.00 . A A . 28 GLN HE21 1 1 16 10659 1 1 28 GLN HE22 H 12.725 -1.015 1.753 1.00 . A A . 28 GLN HE22 1 1 16 10660 1 1 28 GLN HG2 H 11.215 2.013 3.703 1.00 . A A . 28 GLN HG2 1 1 16 10661 1 1 28 GLN HG3 H 10.352 1.533 2.243 1.00 . A A . 28 GLN HG3 1 1 16 10662 1 1 28 GLN N N 12.079 4.362 -0.148 1.00 . A A . 28 GLN N 1 1 16 10663 1 1 28 GLN NE2 N 12.037 -0.348 1.951 1.00 . A A . 28 GLN NE2 1 1 16 10664 1 1 28 GLN O O 9.314 4.224 -0.022 1.00 . A A . 28 GLN O 1 1 16 10665 1 1 28 GLN OE1 O 13.557 1.140 2.431 1.00 . A A . 28 GLN OE1 1 1 16 10666 1 1 29 SER C C 7.204 1.106 1.177 1.00 . A A . 29 SER C 1 1 16 10667 1 1 29 SER CA C 7.812 1.963 0.071 1.00 . A A . 29 SER CA 1 1 16 10668 1 1 29 SER CB C 7.531 1.315 -1.277 1.00 . A A . 29 SER CB 1 1 16 10669 1 1 29 SER H H 9.790 1.232 0.499 1.00 . A A . 29 SER H 1 1 16 10670 1 1 29 SER HA H 7.379 2.944 0.097 1.00 . A A . 29 SER HA 1 1 16 10671 1 1 29 SER HB2 H 7.643 0.250 -1.198 1.00 . A A . 29 SER HB2 1 1 16 10672 1 1 29 SER HB3 H 6.521 1.544 -1.568 1.00 . A A . 29 SER HB3 1 1 16 10673 1 1 29 SER HG H 8.630 2.735 -2.026 1.00 . A A . 29 SER HG 1 1 16 10674 1 1 29 SER N N 9.285 2.045 0.287 1.00 . A A . 29 SER N 1 1 16 10675 1 1 29 SER O O 7.849 0.224 1.693 1.00 . A A . 29 SER O 1 1 16 10676 1 1 29 SER OG O 8.444 1.818 -2.243 1.00 . A A . 29 SER OG 1 1 16 10677 1 1 30 SER C C 3.870 0.300 2.324 1.00 . A A . 30 SER C 1 1 16 10678 1 1 30 SER CA C 5.354 0.538 2.620 1.00 . A A . 30 SER CA 1 1 16 10679 1 1 30 SER CB C 5.496 1.259 3.963 1.00 . A A . 30 SER CB 1 1 16 10680 1 1 30 SER H H 5.465 2.054 1.128 1.00 . A A . 30 SER H 1 1 16 10681 1 1 30 SER HA H 5.855 -0.400 2.669 1.00 . A A . 30 SER HA 1 1 16 10682 1 1 30 SER HB2 H 6.533 1.475 4.151 1.00 . A A . 30 SER HB2 1 1 16 10683 1 1 30 SER HB3 H 4.937 2.186 3.932 1.00 . A A . 30 SER HB3 1 1 16 10684 1 1 30 SER HG H 4.051 0.321 4.869 1.00 . A A . 30 SER HG 1 1 16 10685 1 1 30 SER N N 5.973 1.349 1.549 1.00 . A A . 30 SER N 1 1 16 10686 1 1 30 SER O O 3.152 1.199 1.933 1.00 . A A . 30 SER O 1 1 16 10687 1 1 30 SER OG O 4.996 0.424 5.001 1.00 . A A . 30 SER OG 1 1 16 10688 1 1 31 CYS C C 1.095 -0.474 3.293 1.00 . A A . 31 CYS C 1 1 16 10689 1 1 31 CYS CA C 1.966 -1.217 2.273 1.00 . A A . 31 CYS CA 1 1 16 10690 1 1 31 CYS CB C 1.737 -2.726 2.400 1.00 . A A . 31 CYS CB 1 1 16 10691 1 1 31 CYS H H 4.004 -1.611 2.849 1.00 . A A . 31 CYS H 1 1 16 10692 1 1 31 CYS HA H 1.702 -0.897 1.277 1.00 . A A . 31 CYS HA 1 1 16 10693 1 1 31 CYS HB2 H 2.469 -3.144 3.076 1.00 . A A . 31 CYS HB2 1 1 16 10694 1 1 31 CYS HB3 H 0.745 -2.912 2.788 1.00 . A A . 31 CYS HB3 1 1 16 10695 1 1 31 CYS N N 3.406 -0.907 2.522 1.00 . A A . 31 CYS N 1 1 16 10696 1 1 31 CYS O O 1.466 -0.312 4.439 1.00 . A A . 31 CYS O 1 1 16 10697 1 1 31 CYS SG S 1.906 -3.515 0.776 1.00 . A A . 31 CYS SG 1 1 16 10698 1 1 32 GLU C C -2.428 0.434 3.448 1.00 . A A . 32 GLU C 1 1 16 10699 1 1 32 GLU CA C -0.960 0.705 3.824 1.00 . A A . 32 GLU CA 1 1 16 10700 1 1 32 GLU CB C -0.643 2.215 3.753 1.00 . A A . 32 GLU CB 1 1 16 10701 1 1 32 GLU CD C -1.476 4.472 3.053 1.00 . A A . 32 GLU CD 1 1 16 10702 1 1 32 GLU CG C -1.748 2.967 3.007 1.00 . A A . 32 GLU CG 1 1 16 10703 1 1 32 GLU H H -0.340 -0.171 1.959 1.00 . A A . 32 GLU H 1 1 16 10704 1 1 32 GLU HA H -0.785 0.349 4.830 1.00 . A A . 32 GLU HA 1 1 16 10705 1 1 32 GLU HB2 H -0.561 2.611 4.754 1.00 . A A . 32 GLU HB2 1 1 16 10706 1 1 32 GLU HB3 H 0.294 2.357 3.237 1.00 . A A . 32 GLU HB3 1 1 16 10707 1 1 32 GLU HG2 H -1.775 2.637 1.978 1.00 . A A . 32 GLU HG2 1 1 16 10708 1 1 32 GLU HG3 H -2.691 2.766 3.477 1.00 . A A . 32 GLU HG3 1 1 16 10709 1 1 32 GLU N N -0.061 -0.025 2.884 1.00 . A A . 32 GLU N 1 1 16 10710 1 1 32 GLU O O -2.787 0.414 2.287 1.00 . A A . 32 GLU O 1 1 16 10711 1 1 32 GLU OE1 O -0.843 4.914 3.998 1.00 . A A . 32 GLU OE1 1 1 16 10712 1 1 32 GLU OE2 O -1.919 5.160 2.148 1.00 . A A . 32 GLU OE2 1 1 16 10713 1 1 33 ARG C C -5.300 1.147 3.321 1.00 . A A . 33 ARG C 1 1 16 10714 1 1 33 ARG CA C -4.722 -0.028 4.127 1.00 . A A . 33 ARG CA 1 1 16 10715 1 1 33 ARG CB C -5.482 -0.188 5.448 1.00 . A A . 33 ARG CB 1 1 16 10716 1 1 33 ARG CD C -7.074 1.638 6.084 1.00 . A A . 33 ARG CD 1 1 16 10717 1 1 33 ARG CG C -5.619 1.171 6.155 1.00 . A A . 33 ARG CG 1 1 16 10718 1 1 33 ARG CZ C -8.051 1.122 8.246 1.00 . A A . 33 ARG CZ 1 1 16 10719 1 1 33 ARG H H -2.967 0.258 5.352 1.00 . A A . 33 ARG H 1 1 16 10720 1 1 33 ARG HA H -4.810 -0.936 3.549 1.00 . A A . 33 ARG HA 1 1 16 10721 1 1 33 ARG HB2 H -6.462 -0.596 5.247 1.00 . A A . 33 ARG HB2 1 1 16 10722 1 1 33 ARG HB3 H -4.939 -0.870 6.088 1.00 . A A . 33 ARG HB3 1 1 16 10723 1 1 33 ARG HD2 H -7.138 2.672 6.391 1.00 . A A . 33 ARG HD2 1 1 16 10724 1 1 33 ARG HD3 H -7.429 1.542 5.070 1.00 . A A . 33 ARG HD3 1 1 16 10725 1 1 33 ARG HE H -8.332 -0.020 6.642 1.00 . A A . 33 ARG HE 1 1 16 10726 1 1 33 ARG HG2 H -5.329 1.068 7.191 1.00 . A A . 33 ARG HG2 1 1 16 10727 1 1 33 ARG HG3 H -4.983 1.903 5.679 1.00 . A A . 33 ARG HG3 1 1 16 10728 1 1 33 ARG HH11 H -6.967 2.801 8.098 1.00 . A A . 33 ARG HH11 1 1 16 10729 1 1 33 ARG HH12 H -7.621 2.467 9.667 1.00 . A A . 33 ARG HH12 1 1 16 10730 1 1 33 ARG HH21 H -9.180 -0.471 8.692 1.00 . A A . 33 ARG HH21 1 1 16 10731 1 1 33 ARG HH22 H -8.869 0.617 10.020 1.00 . A A . 33 ARG HH22 1 1 16 10732 1 1 33 ARG N N -3.277 0.234 4.421 1.00 . A A . 33 ARG N 1 1 16 10733 1 1 33 ARG NE N -7.905 0.792 6.987 1.00 . A A . 33 ARG NE 1 1 16 10734 1 1 33 ARG NH1 N -7.501 2.215 8.705 1.00 . A A . 33 ARG NH1 1 1 16 10735 1 1 33 ARG NH2 N -8.754 0.363 9.041 1.00 . A A . 33 ARG NH2 1 1 16 10736 1 1 33 ARG O O -4.634 2.131 3.104 1.00 . A A . 33 ARG O 1 1 16 10737 1 1 34 LYS C C -8.555 1.840 1.683 1.00 . A A . 34 LYS C 1 1 16 10738 1 1 34 LYS CA C -7.123 2.189 2.107 1.00 . A A . 34 LYS CA 1 1 16 10739 1 1 34 LYS CB C -6.283 2.457 0.843 1.00 . A A . 34 LYS CB 1 1 16 10740 1 1 34 LYS CD C -5.230 4.554 -0.095 1.00 . A A . 34 LYS CD 1 1 16 10741 1 1 34 LYS CE C -6.343 5.606 0.057 1.00 . A A . 34 LYS CE 1 1 16 10742 1 1 34 LYS CG C -5.248 3.574 1.092 1.00 . A A . 34 LYS CG 1 1 16 10743 1 1 34 LYS H H -7.080 0.283 3.076 1.00 . A A . 34 LYS H 1 1 16 10744 1 1 34 LYS HA H -7.146 3.064 2.725 1.00 . A A . 34 LYS HA 1 1 16 10745 1 1 34 LYS HB2 H -5.765 1.549 0.570 1.00 . A A . 34 LYS HB2 1 1 16 10746 1 1 34 LYS HB3 H -6.939 2.748 0.035 1.00 . A A . 34 LYS HB3 1 1 16 10747 1 1 34 LYS HD2 H -4.274 5.055 -0.130 1.00 . A A . 34 LYS HD2 1 1 16 10748 1 1 34 LYS HD3 H -5.379 4.008 -1.015 1.00 . A A . 34 LYS HD3 1 1 16 10749 1 1 34 LYS HE2 H -7.091 5.455 -0.706 1.00 . A A . 34 LYS HE2 1 1 16 10750 1 1 34 LYS HE3 H -6.805 5.518 1.030 1.00 . A A . 34 LYS HE3 1 1 16 10751 1 1 34 LYS HG2 H -5.489 4.110 1.999 1.00 . A A . 34 LYS HG2 1 1 16 10752 1 1 34 LYS HG3 H -4.268 3.135 1.192 1.00 . A A . 34 LYS HG3 1 1 16 10753 1 1 34 LYS HZ1 H -4.730 6.890 -0.235 1.00 . A A . 34 LYS HZ1 1 1 16 10754 1 1 34 LYS HZ2 H -5.941 7.518 0.774 1.00 . A A . 34 LYS HZ2 1 1 16 10755 1 1 34 LYS HZ3 H -6.189 7.445 -0.905 1.00 . A A . 34 LYS HZ3 1 1 16 10756 1 1 34 LYS N N -6.537 1.066 2.884 1.00 . A A . 34 LYS N 1 1 16 10757 1 1 34 LYS NZ N -5.757 6.968 -0.088 1.00 . A A . 34 LYS NZ 1 1 16 10758 1 1 34 LYS O O -8.770 1.149 0.708 1.00 . A A . 34 LYS O 1 1 16 10759 1 1 35 TRP C C -11.683 3.383 1.758 1.00 . A A . 35 TRP C 1 1 16 10760 1 1 35 TRP CA C -10.957 2.058 2.036 1.00 . A A . 35 TRP CA 1 1 16 10761 1 1 35 TRP CB C -11.652 1.326 3.181 1.00 . A A . 35 TRP CB 1 1 16 10762 1 1 35 TRP CD1 C -10.055 1.478 5.121 1.00 . A A . 35 TRP CD1 1 1 16 10763 1 1 35 TRP CD2 C -11.778 2.908 5.317 1.00 . A A . 35 TRP CD2 1 1 16 10764 1 1 35 TRP CE2 C -10.961 3.101 6.455 1.00 . A A . 35 TRP CE2 1 1 16 10765 1 1 35 TRP CE3 C -12.940 3.690 5.195 1.00 . A A . 35 TRP CE3 1 1 16 10766 1 1 35 TRP CG C -11.176 1.876 4.484 1.00 . A A . 35 TRP CG 1 1 16 10767 1 1 35 TRP CH2 C -12.442 4.806 7.301 1.00 . A A . 35 TRP CH2 1 1 16 10768 1 1 35 TRP CZ2 C -11.284 4.036 7.438 1.00 . A A . 35 TRP CZ2 1 1 16 10769 1 1 35 TRP CZ3 C -13.269 4.634 6.184 1.00 . A A . 35 TRP CZ3 1 1 16 10770 1 1 35 TRP H H -9.318 2.888 3.172 1.00 . A A . 35 TRP H 1 1 16 10771 1 1 35 TRP HA H -10.992 1.440 1.151 1.00 . A A . 35 TRP HA 1 1 16 10772 1 1 35 TRP HB2 H -12.722 1.461 3.101 1.00 . A A . 35 TRP HB2 1 1 16 10773 1 1 35 TRP HB3 H -11.418 0.275 3.125 1.00 . A A . 35 TRP HB3 1 1 16 10774 1 1 35 TRP HD1 H -9.373 0.718 4.769 1.00 . A A . 35 TRP HD1 1 1 16 10775 1 1 35 TRP HE1 H -9.192 2.114 6.932 1.00 . A A . 35 TRP HE1 1 1 16 10776 1 1 35 TRP HE3 H -13.585 3.562 4.340 1.00 . A A . 35 TRP HE3 1 1 16 10777 1 1 35 TRP HH2 H -12.700 5.533 8.058 1.00 . A A . 35 TRP HH2 1 1 16 10778 1 1 35 TRP HZ2 H -10.644 4.165 8.297 1.00 . A A . 35 TRP HZ2 1 1 16 10779 1 1 35 TRP HZ3 H -14.164 5.230 6.080 1.00 . A A . 35 TRP HZ3 1 1 16 10780 1 1 35 TRP N N -9.527 2.332 2.399 1.00 . A A . 35 TRP N 1 1 16 10781 1 1 35 TRP NE1 N -9.923 2.206 6.289 1.00 . A A . 35 TRP NE1 1 1 16 10782 1 1 35 TRP O O -11.173 4.451 2.029 1.00 . A A . 35 TRP O 1 1 16 10783 1 1 36 LYS C C -13.116 5.117 -0.446 1.00 . A A . 36 LYS C 1 1 16 10784 1 1 36 LYS CA C -13.652 4.537 0.863 1.00 . A A . 36 LYS CA 1 1 16 10785 1 1 36 LYS CB C -13.580 5.579 2.010 1.00 . A A . 36 LYS CB 1 1 16 10786 1 1 36 LYS CD C -12.753 7.839 2.735 1.00 . A A . 36 LYS CD 1 1 16 10787 1 1 36 LYS CE C -14.115 8.525 2.909 1.00 . A A . 36 LYS CE 1 1 16 10788 1 1 36 LYS CG C -12.817 6.839 1.573 1.00 . A A . 36 LYS CG 1 1 16 10789 1 1 36 LYS H H -13.234 2.426 0.978 1.00 . A A . 36 LYS H 1 1 16 10790 1 1 36 LYS HA H -14.681 4.252 0.709 1.00 . A A . 36 LYS HA 1 1 16 10791 1 1 36 LYS HB2 H -14.583 5.857 2.296 1.00 . A A . 36 LYS HB2 1 1 16 10792 1 1 36 LYS HB3 H -13.085 5.144 2.862 1.00 . A A . 36 LYS HB3 1 1 16 10793 1 1 36 LYS HD2 H -12.495 7.316 3.644 1.00 . A A . 36 LYS HD2 1 1 16 10794 1 1 36 LYS HD3 H -12.003 8.585 2.525 1.00 . A A . 36 LYS HD3 1 1 16 10795 1 1 36 LYS HE2 H -14.471 8.871 1.951 1.00 . A A . 36 LYS HE2 1 1 16 10796 1 1 36 LYS HE3 H -14.823 7.825 3.327 1.00 . A A . 36 LYS HE3 1 1 16 10797 1 1 36 LYS HG2 H -11.816 6.569 1.275 1.00 . A A . 36 LYS HG2 1 1 16 10798 1 1 36 LYS HG3 H -13.326 7.301 0.741 1.00 . A A . 36 LYS HG3 1 1 16 10799 1 1 36 LYS HZ1 H -13.993 9.354 4.816 1.00 . A A . 36 LYS HZ1 1 1 16 10800 1 1 36 LYS HZ2 H -14.754 10.352 3.673 1.00 . A A . 36 LYS HZ2 1 1 16 10801 1 1 36 LYS HZ3 H -13.065 10.166 3.646 1.00 . A A . 36 LYS HZ3 1 1 16 10802 1 1 36 LYS N N -12.864 3.307 1.196 1.00 . A A . 36 LYS N 1 1 16 10803 1 1 36 LYS NZ N -13.970 9.687 3.831 1.00 . A A . 36 LYS NZ 1 1 16 10804 1 1 36 LYS O O -13.700 6.007 -1.033 1.00 . A A . 36 LYS O 1 1 16 10805 1 1 37 TYR C C -12.284 4.633 -3.363 1.00 . A A . 37 TYR C 1 1 16 10806 1 1 37 TYR CA C -11.435 5.122 -2.187 1.00 . A A . 37 TYR CA 1 1 16 10807 1 1 37 TYR CB C -9.991 4.624 -2.343 1.00 . A A . 37 TYR CB 1 1 16 10808 1 1 37 TYR CD1 C -10.136 2.270 -1.455 1.00 . A A . 37 TYR CD1 1 1 16 10809 1 1 37 TYR CD2 C -9.805 2.591 -3.833 1.00 . A A . 37 TYR CD2 1 1 16 10810 1 1 37 TYR CE1 C -10.126 0.882 -1.640 1.00 . A A . 37 TYR CE1 1 1 16 10811 1 1 37 TYR CE2 C -9.796 1.204 -4.019 1.00 . A A . 37 TYR CE2 1 1 16 10812 1 1 37 TYR CG C -9.977 3.125 -2.549 1.00 . A A . 37 TYR CG 1 1 16 10813 1 1 37 TYR CZ C -9.958 0.350 -2.923 1.00 . A A . 37 TYR CZ 1 1 16 10814 1 1 37 TYR H H -11.539 3.850 -0.400 1.00 . A A . 37 TYR H 1 1 16 10815 1 1 37 TYR HA H -11.441 6.203 -2.168 1.00 . A A . 37 TYR HA 1 1 16 10816 1 1 37 TYR HB2 H -9.537 5.108 -3.197 1.00 . A A . 37 TYR HB2 1 1 16 10817 1 1 37 TYR HB3 H -9.429 4.869 -1.454 1.00 . A A . 37 TYR HB3 1 1 16 10818 1 1 37 TYR HD1 H -10.262 2.680 -0.467 1.00 . A A . 37 TYR HD1 1 1 16 10819 1 1 37 TYR HD2 H -9.678 3.250 -4.681 1.00 . A A . 37 TYR HD2 1 1 16 10820 1 1 37 TYR HE1 H -10.253 0.222 -0.794 1.00 . A A . 37 TYR HE1 1 1 16 10821 1 1 37 TYR HE2 H -9.664 0.793 -5.009 1.00 . A A . 37 TYR HE2 1 1 16 10822 1 1 37 TYR HH H -9.910 -1.193 -4.048 1.00 . A A . 37 TYR HH 1 1 16 10823 1 1 37 TYR N N -12.013 4.608 -0.912 1.00 . A A . 37 TYR N 1 1 16 10824 1 1 37 TYR O O -11.766 4.115 -4.325 1.00 . A A . 37 TYR O 1 1 16 10825 1 1 37 TYR OH O -9.950 -1.018 -3.105 1.00 . A A . 37 TYR OH 1 1 16 10826 1 1 38 LEU C C -15.088 2.982 -4.018 1.00 . A A . 38 LEU C 1 1 16 10827 1 1 38 LEU CA C -14.521 4.363 -4.363 1.00 . A A . 38 LEU CA 1 1 16 10828 1 1 38 LEU CB C -13.800 4.288 -5.709 1.00 . A A . 38 LEU CB 1 1 16 10829 1 1 38 LEU CD1 C -12.382 5.572 -7.317 1.00 . A A . 38 LEU CD1 1 1 16 10830 1 1 38 LEU CD2 C -14.630 6.474 -6.649 1.00 . A A . 38 LEU CD2 1 1 16 10831 1 1 38 LEU CG C -13.391 5.693 -6.170 1.00 . A A . 38 LEU CG 1 1 16 10832 1 1 38 LEU H H -13.953 5.224 -2.483 1.00 . A A . 38 LEU H 1 1 16 10833 1 1 38 LEU HA H -15.335 5.069 -4.433 1.00 . A A . 38 LEU HA 1 1 16 10834 1 1 38 LEU HB2 H -12.927 3.672 -5.609 1.00 . A A . 38 LEU HB2 1 1 16 10835 1 1 38 LEU HB3 H -14.460 3.851 -6.441 1.00 . A A . 38 LEU HB3 1 1 16 10836 1 1 38 LEU HD11 H -11.393 5.418 -6.911 1.00 . A A . 38 LEU HD11 1 1 16 10837 1 1 38 LEU HD12 H -12.391 6.479 -7.903 1.00 . A A . 38 LEU HD12 1 1 16 10838 1 1 38 LEU HD13 H -12.647 4.734 -7.946 1.00 . A A . 38 LEU HD13 1 1 16 10839 1 1 38 LEU HD21 H -15.514 5.858 -6.556 1.00 . A A . 38 LEU HD21 1 1 16 10840 1 1 38 LEU HD22 H -14.504 6.760 -7.684 1.00 . A A . 38 LEU HD22 1 1 16 10841 1 1 38 LEU HD23 H -14.751 7.361 -6.047 1.00 . A A . 38 LEU HD23 1 1 16 10842 1 1 38 LEU HG H -12.932 6.217 -5.344 1.00 . A A . 38 LEU HG 1 1 16 10843 1 1 38 LEU N N -13.585 4.802 -3.276 1.00 . A A . 38 LEU N 1 1 16 10844 1 1 38 LEU O O -14.378 2.104 -3.572 1.00 . A A . 38 LEU O 1 1 16 10845 1 1 39 PHE C C -16.347 0.366 -4.758 1.00 . A A . 39 PHE C 1 1 16 10846 1 1 39 PHE CA C -16.995 1.473 -3.910 1.00 . A A . 39 PHE CA 1 1 16 10847 1 1 39 PHE CB C -18.507 1.541 -4.214 1.00 . A A . 39 PHE CB 1 1 16 10848 1 1 39 PHE CD1 C -19.147 0.751 -1.897 1.00 . A A . 39 PHE CD1 1 1 16 10849 1 1 39 PHE CD2 C -20.213 2.740 -2.785 1.00 . A A . 39 PHE CD2 1 1 16 10850 1 1 39 PHE CE1 C -19.889 0.881 -0.717 1.00 . A A . 39 PHE CE1 1 1 16 10851 1 1 39 PHE CE2 C -20.956 2.869 -1.606 1.00 . A A . 39 PHE CE2 1 1 16 10852 1 1 39 PHE CG C -19.305 1.682 -2.932 1.00 . A A . 39 PHE CG 1 1 16 10853 1 1 39 PHE CZ C -20.795 1.939 -0.571 1.00 . A A . 39 PHE CZ 1 1 16 10854 1 1 39 PHE H H -16.914 3.520 -4.580 1.00 . A A . 39 PHE H 1 1 16 10855 1 1 39 PHE HA H -16.845 1.251 -2.866 1.00 . A A . 39 PHE HA 1 1 16 10856 1 1 39 PHE HB2 H -18.701 2.392 -4.849 1.00 . A A . 39 PHE HB2 1 1 16 10857 1 1 39 PHE HB3 H -18.817 0.642 -4.726 1.00 . A A . 39 PHE HB3 1 1 16 10858 1 1 39 PHE HD1 H -18.452 -0.068 -2.008 1.00 . A A . 39 PHE HD1 1 1 16 10859 1 1 39 PHE HD2 H -20.338 3.459 -3.581 1.00 . A A . 39 PHE HD2 1 1 16 10860 1 1 39 PHE HE1 H -19.765 0.163 0.081 1.00 . A A . 39 PHE HE1 1 1 16 10861 1 1 39 PHE HE2 H -21.656 3.683 -1.493 1.00 . A A . 39 PHE HE2 1 1 16 10862 1 1 39 PHE HZ H -21.368 2.036 0.338 1.00 . A A . 39 PHE HZ 1 1 16 10863 1 1 39 PHE N N -16.366 2.792 -4.223 1.00 . A A . 39 PHE N 1 1 16 10864 1 1 39 PHE O O -17.023 -0.488 -5.298 1.00 . A A . 39 PHE O 1 1 16 10865 1 1 40 THR C C -14.407 -2.021 -4.920 1.00 . A A . 40 THR C 1 1 16 10866 1 1 40 THR CA C -14.395 -0.706 -5.697 1.00 . A A . 40 THR CA 1 1 16 10867 1 1 40 THR CB C -12.945 -0.318 -6.005 1.00 . A A . 40 THR CB 1 1 16 10868 1 1 40 THR CG2 C -12.913 0.782 -7.070 1.00 . A A . 40 THR CG2 1 1 16 10869 1 1 40 THR H H -14.507 1.048 -4.442 1.00 . A A . 40 THR H 1 1 16 10870 1 1 40 THR HA H -14.937 -0.832 -6.621 1.00 . A A . 40 THR HA 1 1 16 10871 1 1 40 THR HB H -12.414 -1.181 -6.375 1.00 . A A . 40 THR HB 1 1 16 10872 1 1 40 THR HG1 H -12.718 0.985 -4.577 1.00 . A A . 40 THR HG1 1 1 16 10873 1 1 40 THR HG21 H -13.651 0.574 -7.830 1.00 . A A . 40 THR HG21 1 1 16 10874 1 1 40 THR HG22 H -11.932 0.817 -7.521 1.00 . A A . 40 THR HG22 1 1 16 10875 1 1 40 THR HG23 H -13.131 1.732 -6.610 1.00 . A A . 40 THR HG23 1 1 16 10876 1 1 40 THR N N -15.049 0.359 -4.882 1.00 . A A . 40 THR N 1 1 16 10877 1 1 40 THR O O -14.670 -2.054 -3.734 1.00 . A A . 40 THR O 1 1 16 10878 1 1 40 THR OG1 O -12.318 0.147 -4.817 1.00 . A A . 40 THR OG1 1 1 16 10879 1 1 41 GLY C C -13.157 -4.371 -3.697 1.00 . A A . 41 GLY C 1 1 16 10880 1 1 41 GLY CA C -14.120 -4.426 -4.883 1.00 . A A . 41 GLY CA 1 1 16 10881 1 1 41 GLY H H -13.916 -3.063 -6.538 1.00 . A A . 41 GLY H 1 1 16 10882 1 1 41 GLY HA2 H -15.118 -4.646 -4.528 1.00 . A A . 41 GLY HA2 1 1 16 10883 1 1 41 GLY HA3 H -13.802 -5.197 -5.567 1.00 . A A . 41 GLY HA3 1 1 16 10884 1 1 41 GLY N N -14.124 -3.111 -5.581 1.00 . A A . 41 GLY N 1 1 16 10885 1 1 41 GLY O O -12.602 -3.336 -3.384 1.00 . A A . 41 GLY O 1 1 16 10886 1 1 42 GLU C C -11.169 -6.753 -1.908 1.00 . A A . 42 GLU C 1 1 16 10887 1 1 42 GLU CA C -12.034 -5.493 -1.859 1.00 . A A . 42 GLU CA 1 1 16 10888 1 1 42 GLU CB C -12.855 -5.486 -0.566 1.00 . A A . 42 GLU CB 1 1 16 10889 1 1 42 GLU CD C -15.238 -6.291 -0.593 1.00 . A A . 42 GLU CD 1 1 16 10890 1 1 42 GLU CG C -13.771 -6.723 -0.516 1.00 . A A . 42 GLU CG 1 1 16 10891 1 1 42 GLU H H -13.418 -6.298 -3.300 1.00 . A A . 42 GLU H 1 1 16 10892 1 1 42 GLU HA H -11.397 -4.620 -1.885 1.00 . A A . 42 GLU HA 1 1 16 10893 1 1 42 GLU HB2 H -12.184 -5.499 0.282 1.00 . A A . 42 GLU HB2 1 1 16 10894 1 1 42 GLU HB3 H -13.457 -4.589 -0.530 1.00 . A A . 42 GLU HB3 1 1 16 10895 1 1 42 GLU HG2 H -13.549 -7.378 -1.346 1.00 . A A . 42 GLU HG2 1 1 16 10896 1 1 42 GLU HG3 H -13.607 -7.254 0.410 1.00 . A A . 42 GLU HG3 1 1 16 10897 1 1 42 GLU N N -12.957 -5.478 -3.031 1.00 . A A . 42 GLU N 1 1 16 10898 1 1 42 GLU O O -11.445 -7.681 -2.642 1.00 . A A . 42 GLU O 1 1 16 10899 1 1 42 GLU OE1 O -15.765 -5.866 0.421 1.00 . A A . 42 GLU OE1 1 1 16 10900 1 1 42 GLU OE2 O -15.809 -6.394 -1.668 1.00 . A A . 42 GLU OE2 1 1 16 10901 1 1 43 CYS C C -8.699 -8.206 0.291 1.00 . A A . 43 CYS C 1 1 16 10902 1 1 43 CYS CA C -9.236 -7.988 -1.128 1.00 . A A . 43 CYS CA 1 1 16 10903 1 1 43 CYS CB C -8.075 -7.757 -2.110 1.00 . A A . 43 CYS CB 1 1 16 10904 1 1 43 CYS H H -9.917 -6.031 -0.549 1.00 . A A . 43 CYS H 1 1 16 10905 1 1 43 CYS HXT H -10.389 -7.784 0.888 1.00 . A A . 43 CYS HXT 1 1 16 10906 1 1 43 CYS HA H -9.800 -8.858 -1.434 1.00 . A A . 43 CYS HA 1 1 16 10907 1 1 43 CYS HB2 H -8.321 -6.935 -2.763 1.00 . A A . 43 CYS HB2 1 1 16 10908 1 1 43 CYS HB3 H -7.177 -7.521 -1.563 1.00 . A A . 43 CYS HB3 1 1 16 10909 1 1 43 CYS N N -10.121 -6.792 -1.133 1.00 . A A . 43 CYS N 1 1 16 10910 1 1 43 CYS O O -7.576 -8.663 0.421 1.00 . A A . 43 CYS O 1 1 16 10911 1 1 43 CYS OXT O -9.424 -7.909 1.227 1.00 . A A . 43 CYS OXT 1 1 16 10912 1 1 43 CYS SG S -7.802 -9.248 -3.105 1.00 . A A . 43 CYS SG 1 1 17 10913 1 1 1 CYS C C 3.604 -8.265 0.300 1.00 . A A . 1 CYS C 1 1 17 10914 1 1 1 CYS CA C 3.426 -9.010 -1.026 1.00 . A A . 1 CYS CA 1 1 17 10915 1 1 1 CYS CB C 1.993 -9.555 -1.086 1.00 . A A . 1 CYS CB 1 1 17 10916 1 1 1 CYS H1 H 5.356 -9.771 -1.061 1.00 . A A . 1 CYS H1 1 1 17 10917 1 1 1 CYS H2 H 4.241 -10.779 -0.309 1.00 . A A . 1 CYS H2 1 1 17 10918 1 1 1 CYS H3 H 4.260 -10.651 -1.985 1.00 . A A . 1 CYS H3 1 1 17 10919 1 1 1 CYS HA H 3.592 -8.335 -1.849 1.00 . A A . 1 CYS HA 1 1 17 10920 1 1 1 CYS HB2 H 1.309 -8.731 -1.174 1.00 . A A . 1 CYS HB2 1 1 17 10921 1 1 1 CYS HB3 H 1.874 -10.210 -1.935 1.00 . A A . 1 CYS HB3 1 1 17 10922 1 1 1 CYS N N 4.395 -10.139 -1.101 1.00 . A A . 1 CYS N 1 1 17 10923 1 1 1 CYS O O 3.498 -8.851 1.358 1.00 . A A . 1 CYS O 1 1 17 10924 1 1 1 CYS SG S 1.645 -10.472 0.441 1.00 . A A . 1 CYS SG 1 1 17 10925 1 1 2 GLY C C 2.625 -6.025 2.168 1.00 . A A . 2 GLY C 1 1 17 10926 1 1 2 GLY CA C 4.012 -6.257 1.562 1.00 . A A . 2 GLY CA 1 1 17 10927 1 1 2 GLY H H 3.941 -6.491 -0.583 1.00 . A A . 2 GLY H 1 1 17 10928 1 1 2 GLY HA2 H 4.608 -6.851 2.241 1.00 . A A . 2 GLY HA2 1 1 17 10929 1 1 2 GLY HA3 H 4.493 -5.308 1.394 1.00 . A A . 2 GLY HA3 1 1 17 10930 1 1 2 GLY N N 3.860 -6.981 0.273 1.00 . A A . 2 GLY N 1 1 17 10931 1 1 2 GLY O O 1.762 -5.424 1.562 1.00 . A A . 2 GLY O 1 1 17 10932 1 1 3 SER C C 1.187 -5.115 4.973 1.00 . A A . 3 SER C 1 1 17 10933 1 1 3 SER CA C 1.074 -6.296 4.013 1.00 . A A . 3 SER CA 1 1 17 10934 1 1 3 SER CB C 0.699 -7.557 4.796 1.00 . A A . 3 SER CB 1 1 17 10935 1 1 3 SER H H 3.112 -6.976 3.838 1.00 . A A . 3 SER H 1 1 17 10936 1 1 3 SER HA H 0.322 -6.092 3.266 1.00 . A A . 3 SER HA 1 1 17 10937 1 1 3 SER HB2 H 1.357 -7.667 5.642 1.00 . A A . 3 SER HB2 1 1 17 10938 1 1 3 SER HB3 H -0.320 -7.473 5.144 1.00 . A A . 3 SER HB3 1 1 17 10939 1 1 3 SER HG H 1.562 -8.521 3.345 1.00 . A A . 3 SER HG 1 1 17 10940 1 1 3 SER N N 2.403 -6.495 3.362 1.00 . A A . 3 SER N 1 1 17 10941 1 1 3 SER O O 2.261 -4.584 5.167 1.00 . A A . 3 SER O 1 1 17 10942 1 1 3 SER OG O 0.834 -8.689 3.949 1.00 . A A . 3 SER OG 1 1 17 10943 1 1 4 LYS C C 1.620 -3.507 7.095 1.00 . A A . 4 LYS C 1 1 17 10944 1 1 4 LYS CA C 0.191 -3.554 6.549 1.00 . A A . 4 LYS CA 1 1 17 10945 1 1 4 LYS CB C -0.833 -3.785 7.685 1.00 . A A . 4 LYS CB 1 1 17 10946 1 1 4 LYS CD C -0.623 -4.466 10.109 1.00 . A A . 4 LYS CD 1 1 17 10947 1 1 4 LYS CE C 0.400 -4.470 11.257 1.00 . A A . 4 LYS CE 1 1 17 10948 1 1 4 LYS CG C -0.262 -3.389 9.069 1.00 . A A . 4 LYS CG 1 1 17 10949 1 1 4 LYS H H -0.753 -5.143 5.427 1.00 . A A . 4 LYS H 1 1 17 10950 1 1 4 LYS HA H -0.032 -2.629 6.032 1.00 . A A . 4 LYS HA 1 1 17 10951 1 1 4 LYS HB2 H -1.713 -3.188 7.488 1.00 . A A . 4 LYS HB2 1 1 17 10952 1 1 4 LYS HB3 H -1.111 -4.827 7.693 1.00 . A A . 4 LYS HB3 1 1 17 10953 1 1 4 LYS HD2 H -1.606 -4.261 10.509 1.00 . A A . 4 LYS HD2 1 1 17 10954 1 1 4 LYS HD3 H -0.627 -5.438 9.640 1.00 . A A . 4 LYS HD3 1 1 17 10955 1 1 4 LYS HE2 H 1.335 -4.047 10.922 1.00 . A A . 4 LYS HE2 1 1 17 10956 1 1 4 LYS HE3 H 0.018 -3.891 12.085 1.00 . A A . 4 LYS HE3 1 1 17 10957 1 1 4 LYS HG2 H 0.807 -3.288 9.011 1.00 . A A . 4 LYS HG2 1 1 17 10958 1 1 4 LYS HG3 H -0.691 -2.445 9.374 1.00 . A A . 4 LYS HG3 1 1 17 10959 1 1 4 LYS HZ1 H -0.278 -6.291 12.008 1.00 . A A . 4 LYS HZ1 1 1 17 10960 1 1 4 LYS HZ2 H 1.299 -5.890 12.488 1.00 . A A . 4 LYS HZ2 1 1 17 10961 1 1 4 LYS HZ3 H 1.005 -6.430 10.904 1.00 . A A . 4 LYS HZ3 1 1 17 10962 1 1 4 LYS N N 0.104 -4.700 5.587 1.00 . A A . 4 LYS N 1 1 17 10963 1 1 4 LYS NZ N 0.623 -5.875 11.698 1.00 . A A . 4 LYS NZ 1 1 17 10964 1 1 4 LYS O O 2.142 -4.507 7.545 1.00 . A A . 4 LYS O 1 1 17 10965 1 1 5 ARG C C 4.541 -3.269 6.734 1.00 . A A . 5 ARG C 1 1 17 10966 1 1 5 ARG CA C 3.666 -2.299 7.541 1.00 . A A . 5 ARG CA 1 1 17 10967 1 1 5 ARG CB C 3.671 -2.701 9.023 1.00 . A A . 5 ARG CB 1 1 17 10968 1 1 5 ARG CD C 5.100 -3.542 10.901 1.00 . A A . 5 ARG CD 1 1 17 10969 1 1 5 ARG CG C 5.098 -2.772 9.575 1.00 . A A . 5 ARG CG 1 1 17 10970 1 1 5 ARG CZ C 4.966 -5.927 11.380 1.00 . A A . 5 ARG CZ 1 1 17 10971 1 1 5 ARG H H 1.839 -1.580 6.656 1.00 . A A . 5 ARG H 1 1 17 10972 1 1 5 ARG HA H 4.042 -1.293 7.435 1.00 . A A . 5 ARG HA 1 1 17 10973 1 1 5 ARG HB2 H 3.113 -1.969 9.584 1.00 . A A . 5 ARG HB2 1 1 17 10974 1 1 5 ARG HB3 H 3.205 -3.661 9.128 1.00 . A A . 5 ARG HB3 1 1 17 10975 1 1 5 ARG HD2 H 6.111 -3.612 11.271 1.00 . A A . 5 ARG HD2 1 1 17 10976 1 1 5 ARG HD3 H 4.486 -3.021 11.622 1.00 . A A . 5 ARG HD3 1 1 17 10977 1 1 5 ARG HE H 3.864 -5.055 9.992 1.00 . A A . 5 ARG HE 1 1 17 10978 1 1 5 ARG HG2 H 5.738 -3.272 8.870 1.00 . A A . 5 ARG HG2 1 1 17 10979 1 1 5 ARG HG3 H 5.463 -1.772 9.747 1.00 . A A . 5 ARG HG3 1 1 17 10980 1 1 5 ARG HH11 H 6.282 -4.863 12.442 1.00 . A A . 5 ARG HH11 1 1 17 10981 1 1 5 ARG HH12 H 6.206 -6.551 12.814 1.00 . A A . 5 ARG HH12 1 1 17 10982 1 1 5 ARG HH21 H 3.750 -7.232 10.469 1.00 . A A . 5 ARG HH21 1 1 17 10983 1 1 5 ARG HH22 H 4.774 -7.894 11.700 1.00 . A A . 5 ARG HH22 1 1 17 10984 1 1 5 ARG N N 2.265 -2.373 7.040 1.00 . A A . 5 ARG N 1 1 17 10985 1 1 5 ARG NE N 4.550 -4.913 10.673 1.00 . A A . 5 ARG NE 1 1 17 10986 1 1 5 ARG NH1 N 5.888 -5.767 12.283 1.00 . A A . 5 ARG NH1 1 1 17 10987 1 1 5 ARG NH2 N 4.456 -7.110 11.170 1.00 . A A . 5 ARG NH2 1 1 17 10988 1 1 5 ARG O O 4.811 -4.372 7.165 1.00 . A A . 5 ARG O 1 1 17 10989 1 1 6 ALA C C 6.185 -3.110 3.394 1.00 . A A . 6 ALA C 1 1 17 10990 1 1 6 ALA CA C 5.859 -3.764 4.742 1.00 . A A . 6 ALA CA 1 1 17 10991 1 1 6 ALA CB C 5.152 -5.098 4.477 1.00 . A A . 6 ALA CB 1 1 17 10992 1 1 6 ALA H H 4.762 -1.969 5.239 1.00 . A A . 6 ALA H 1 1 17 10993 1 1 6 ALA HA H 6.780 -3.953 5.274 1.00 . A A . 6 ALA HA 1 1 17 10994 1 1 6 ALA HB1 H 4.964 -5.602 5.410 1.00 . A A . 6 ALA HB1 1 1 17 10995 1 1 6 ALA HB2 H 5.783 -5.717 3.857 1.00 . A A . 6 ALA HB2 1 1 17 10996 1 1 6 ALA HB3 H 4.218 -4.916 3.969 1.00 . A A . 6 ALA HB3 1 1 17 10997 1 1 6 ALA N N 4.992 -2.864 5.568 1.00 . A A . 6 ALA N 1 1 17 10998 1 1 6 ALA O O 5.319 -2.661 2.674 1.00 . A A . 6 ALA O 1 1 17 10999 1 1 7 TRP C C 6.991 -2.939 0.615 1.00 . A A . 7 TRP C 1 1 17 11000 1 1 7 TRP CA C 7.894 -2.475 1.769 1.00 . A A . 7 TRP CA 1 1 17 11001 1 1 7 TRP CB C 9.344 -2.924 1.539 1.00 . A A . 7 TRP CB 1 1 17 11002 1 1 7 TRP CD1 C 9.564 -1.977 -0.791 1.00 . A A . 7 TRP CD1 1 1 17 11003 1 1 7 TRP CD2 C 10.102 -4.159 -0.681 1.00 . A A . 7 TRP CD2 1 1 17 11004 1 1 7 TRP CE2 C 10.264 -3.774 -2.031 1.00 . A A . 7 TRP CE2 1 1 17 11005 1 1 7 TRP CE3 C 10.380 -5.493 -0.332 1.00 . A A . 7 TRP CE3 1 1 17 11006 1 1 7 TRP CG C 9.649 -3.004 0.080 1.00 . A A . 7 TRP CG 1 1 17 11007 1 1 7 TRP CH2 C 10.965 -6.003 -2.637 1.00 . A A . 7 TRP CH2 1 1 17 11008 1 1 7 TRP CZ2 C 10.690 -4.682 -3.003 1.00 . A A . 7 TRP CZ2 1 1 17 11009 1 1 7 TRP CZ3 C 10.811 -6.409 -1.305 1.00 . A A . 7 TRP CZ3 1 1 17 11010 1 1 7 TRP H H 8.112 -3.453 3.665 1.00 . A A . 7 TRP H 1 1 17 11011 1 1 7 TRP HA H 7.859 -1.398 1.831 1.00 . A A . 7 TRP HA 1 1 17 11012 1 1 7 TRP HB2 H 10.015 -2.217 2.003 1.00 . A A . 7 TRP HB2 1 1 17 11013 1 1 7 TRP HB3 H 9.488 -3.897 1.985 1.00 . A A . 7 TRP HB3 1 1 17 11014 1 1 7 TRP HD1 H 9.262 -0.968 -0.544 1.00 . A A . 7 TRP HD1 1 1 17 11015 1 1 7 TRP HE1 H 9.932 -1.889 -2.866 1.00 . A A . 7 TRP HE1 1 1 17 11016 1 1 7 TRP HE3 H 10.262 -5.815 0.693 1.00 . A A . 7 TRP HE3 1 1 17 11017 1 1 7 TRP HH2 H 11.298 -6.712 -3.381 1.00 . A A . 7 TRP HH2 1 1 17 11018 1 1 7 TRP HZ2 H 10.807 -4.366 -4.027 1.00 . A A . 7 TRP HZ2 1 1 17 11019 1 1 7 TRP HZ3 H 11.025 -7.430 -1.025 1.00 . A A . 7 TRP HZ3 1 1 17 11020 1 1 7 TRP N N 7.445 -3.074 3.059 1.00 . A A . 7 TRP N 1 1 17 11021 1 1 7 TRP NE1 N 9.919 -2.433 -2.051 1.00 . A A . 7 TRP NE1 1 1 17 11022 1 1 7 TRP O O 6.697 -4.109 0.468 1.00 . A A . 7 TRP O 1 1 17 11023 1 1 8 CYS C C 6.480 -2.081 -2.667 1.00 . A A . 8 CYS C 1 1 17 11024 1 1 8 CYS CA C 5.692 -2.365 -1.377 1.00 . A A . 8 CYS CA 1 1 17 11025 1 1 8 CYS CB C 4.446 -1.471 -1.357 1.00 . A A . 8 CYS CB 1 1 17 11026 1 1 8 CYS H H 6.835 -1.080 -0.063 1.00 . A A . 8 CYS H 1 1 17 11027 1 1 8 CYS HA H 5.393 -3.420 -1.332 1.00 . A A . 8 CYS HA 1 1 17 11028 1 1 8 CYS HB2 H 3.810 -1.717 -2.190 1.00 . A A . 8 CYS HB2 1 1 17 11029 1 1 8 CYS HB3 H 3.911 -1.614 -0.439 1.00 . A A . 8 CYS HB3 1 1 17 11030 1 1 8 CYS N N 6.567 -2.016 -0.210 1.00 . A A . 8 CYS N 1 1 17 11031 1 1 8 CYS O O 7.115 -1.053 -2.791 1.00 . A A . 8 CYS O 1 1 17 11032 1 1 8 CYS SG S 4.928 0.261 -1.477 1.00 . A A . 8 CYS SG 1 1 17 11033 1 1 9 LYS C C 6.308 -1.976 -5.898 1.00 . A A . 9 LYS C 1 1 17 11034 1 1 9 LYS CA C 7.214 -2.714 -4.894 1.00 . A A . 9 LYS CA 1 1 17 11035 1 1 9 LYS CB C 7.688 -4.052 -5.494 1.00 . A A . 9 LYS CB 1 1 17 11036 1 1 9 LYS CD C 8.514 -3.944 -7.883 1.00 . A A . 9 LYS CD 1 1 17 11037 1 1 9 LYS CE C 9.531 -3.218 -8.769 1.00 . A A . 9 LYS CE 1 1 17 11038 1 1 9 LYS CG C 8.919 -3.830 -6.407 1.00 . A A . 9 LYS CG 1 1 17 11039 1 1 9 LYS H H 5.939 -3.797 -3.521 1.00 . A A . 9 LYS H 1 1 17 11040 1 1 9 LYS HA H 8.071 -2.096 -4.673 1.00 . A A . 9 LYS HA 1 1 17 11041 1 1 9 LYS HB2 H 7.956 -4.721 -4.690 1.00 . A A . 9 LYS HB2 1 1 17 11042 1 1 9 LYS HB3 H 6.888 -4.493 -6.069 1.00 . A A . 9 LYS HB3 1 1 17 11043 1 1 9 LYS HD2 H 8.476 -4.986 -8.165 1.00 . A A . 9 LYS HD2 1 1 17 11044 1 1 9 LYS HD3 H 7.547 -3.501 -8.024 1.00 . A A . 9 LYS HD3 1 1 17 11045 1 1 9 LYS HE2 H 9.803 -2.278 -8.316 1.00 . A A . 9 LYS HE2 1 1 17 11046 1 1 9 LYS HE3 H 10.411 -3.834 -8.884 1.00 . A A . 9 LYS HE3 1 1 17 11047 1 1 9 LYS HG2 H 9.337 -2.852 -6.224 1.00 . A A . 9 LYS HG2 1 1 17 11048 1 1 9 LYS HG3 H 9.664 -4.580 -6.186 1.00 . A A . 9 LYS HG3 1 1 17 11049 1 1 9 LYS HZ1 H 9.626 -3.164 -10.850 1.00 . A A . 9 LYS HZ1 1 1 17 11050 1 1 9 LYS HZ2 H 8.631 -1.970 -10.174 1.00 . A A . 9 LYS HZ2 1 1 17 11051 1 1 9 LYS HZ3 H 8.097 -3.581 -10.239 1.00 . A A . 9 LYS HZ3 1 1 17 11052 1 1 9 LYS N N 6.454 -2.969 -3.629 1.00 . A A . 9 LYS N 1 1 17 11053 1 1 9 LYS NZ N 8.926 -2.965 -10.109 1.00 . A A . 9 LYS NZ 1 1 17 11054 1 1 9 LYS O O 6.749 -1.103 -6.617 1.00 . A A . 9 LYS O 1 1 17 11055 1 1 10 GLU C C 2.718 -1.536 -6.197 1.00 . A A . 10 GLU C 1 1 17 11056 1 1 10 GLU CA C 4.089 -1.622 -6.865 1.00 . A A . 10 GLU CA 1 1 17 11057 1 1 10 GLU CB C 3.886 -2.400 -8.186 1.00 . A A . 10 GLU CB 1 1 17 11058 1 1 10 GLU CD C 4.519 -4.549 -9.283 1.00 . A A . 10 GLU CD 1 1 17 11059 1 1 10 GLU CG C 5.043 -3.358 -8.474 1.00 . A A . 10 GLU CG 1 1 17 11060 1 1 10 GLU H H 4.711 -3.002 -5.323 1.00 . A A . 10 GLU H 1 1 17 11061 1 1 10 GLU HA H 4.447 -0.626 -7.080 1.00 . A A . 10 GLU HA 1 1 17 11062 1 1 10 GLU HB2 H 2.970 -2.970 -8.125 1.00 . A A . 10 GLU HB2 1 1 17 11063 1 1 10 GLU HB3 H 3.803 -1.695 -9.002 1.00 . A A . 10 GLU HB3 1 1 17 11064 1 1 10 GLU HG2 H 5.803 -2.844 -9.043 1.00 . A A . 10 GLU HG2 1 1 17 11065 1 1 10 GLU HG3 H 5.458 -3.714 -7.552 1.00 . A A . 10 GLU HG3 1 1 17 11066 1 1 10 GLU N N 5.041 -2.310 -5.931 1.00 . A A . 10 GLU N 1 1 17 11067 1 1 10 GLU O O 2.501 -2.045 -5.115 1.00 . A A . 10 GLU O 1 1 17 11068 1 1 10 GLU OE1 O 3.568 -5.169 -8.831 1.00 . A A . 10 GLU OE1 1 1 17 11069 1 1 10 GLU OE2 O 5.077 -4.826 -10.331 1.00 . A A . 10 GLU OE2 1 1 17 11070 1 1 11 LYS C C -0.206 -2.206 -6.153 1.00 . A A . 11 LYS C 1 1 17 11071 1 1 11 LYS CA C 0.403 -0.809 -6.338 1.00 . A A . 11 LYS CA 1 1 17 11072 1 1 11 LYS CB C -0.422 0.030 -7.345 1.00 . A A . 11 LYS CB 1 1 17 11073 1 1 11 LYS CD C -2.606 1.171 -7.707 1.00 . A A . 11 LYS CD 1 1 17 11074 1 1 11 LYS CE C -2.611 0.839 -9.204 1.00 . A A . 11 LYS CE 1 1 17 11075 1 1 11 LYS CG C -1.888 0.071 -6.914 1.00 . A A . 11 LYS CG 1 1 17 11076 1 1 11 LYS H H 1.996 -0.552 -7.751 1.00 . A A . 11 LYS H 1 1 17 11077 1 1 11 LYS HA H 0.419 -0.293 -5.391 1.00 . A A . 11 LYS HA 1 1 17 11078 1 1 11 LYS HB2 H -0.022 1.006 -7.405 1.00 . A A . 11 LYS HB2 1 1 17 11079 1 1 11 LYS HB3 H -0.356 -0.465 -8.315 1.00 . A A . 11 LYS HB3 1 1 17 11080 1 1 11 LYS HD2 H -3.625 1.256 -7.357 1.00 . A A . 11 LYS HD2 1 1 17 11081 1 1 11 LYS HD3 H -2.096 2.110 -7.554 1.00 . A A . 11 LYS HD3 1 1 17 11082 1 1 11 LYS HE2 H -3.215 1.566 -9.729 1.00 . A A . 11 LYS HE2 1 1 17 11083 1 1 11 LYS HE3 H -1.603 0.872 -9.585 1.00 . A A . 11 LYS HE3 1 1 17 11084 1 1 11 LYS HG2 H -2.362 -0.881 -7.110 1.00 . A A . 11 LYS HG2 1 1 17 11085 1 1 11 LYS HG3 H -1.945 0.293 -5.860 1.00 . A A . 11 LYS HG3 1 1 17 11086 1 1 11 LYS HZ1 H -3.971 -0.676 -8.763 1.00 . A A . 11 LYS HZ1 1 1 17 11087 1 1 11 LYS HZ2 H -2.447 -1.236 -9.255 1.00 . A A . 11 LYS HZ2 1 1 17 11088 1 1 11 LYS HZ3 H -3.527 -0.596 -10.400 1.00 . A A . 11 LYS HZ3 1 1 17 11089 1 1 11 LYS N N 1.788 -0.922 -6.870 1.00 . A A . 11 LYS N 1 1 17 11090 1 1 11 LYS NZ N -3.182 -0.520 -9.420 1.00 . A A . 11 LYS NZ 1 1 17 11091 1 1 11 LYS O O -0.855 -2.486 -5.166 1.00 . A A . 11 LYS O 1 1 17 11092 1 1 12 LYS C C 0.375 -5.362 -6.212 1.00 . A A . 12 LYS C 1 1 17 11093 1 1 12 LYS CA C -0.572 -4.454 -7.004 1.00 . A A . 12 LYS CA 1 1 17 11094 1 1 12 LYS CB C -0.719 -5.026 -8.417 1.00 . A A . 12 LYS CB 1 1 17 11095 1 1 12 LYS CD C 0.174 -4.950 -10.751 1.00 . A A . 12 LYS CD 1 1 17 11096 1 1 12 LYS CE C 1.060 -4.163 -11.717 1.00 . A A . 12 LYS CE 1 1 17 11097 1 1 12 LYS CG C 0.239 -4.306 -9.366 1.00 . A A . 12 LYS CG 1 1 17 11098 1 1 12 LYS H H 0.514 -2.836 -7.891 1.00 . A A . 12 LYS H 1 1 17 11099 1 1 12 LYS HA H -1.537 -4.422 -6.522 1.00 . A A . 12 LYS HA 1 1 17 11100 1 1 12 LYS HB2 H -0.479 -6.071 -8.402 1.00 . A A . 12 LYS HB2 1 1 17 11101 1 1 12 LYS HB3 H -1.733 -4.891 -8.760 1.00 . A A . 12 LYS HB3 1 1 17 11102 1 1 12 LYS HD2 H 0.521 -5.972 -10.693 1.00 . A A . 12 LYS HD2 1 1 17 11103 1 1 12 LYS HD3 H -0.844 -4.933 -11.108 1.00 . A A . 12 LYS HD3 1 1 17 11104 1 1 12 LYS HE2 H 1.281 -4.774 -12.580 1.00 . A A . 12 LYS HE2 1 1 17 11105 1 1 12 LYS HE3 H 0.545 -3.268 -12.031 1.00 . A A . 12 LYS HE3 1 1 17 11106 1 1 12 LYS HG2 H -0.043 -3.266 -9.441 1.00 . A A . 12 LYS HG2 1 1 17 11107 1 1 12 LYS HG3 H 1.247 -4.380 -8.983 1.00 . A A . 12 LYS HG3 1 1 17 11108 1 1 12 LYS HZ1 H 2.916 -3.222 -11.678 1.00 . A A . 12 LYS HZ1 1 1 17 11109 1 1 12 LYS HZ2 H 2.849 -4.654 -10.771 1.00 . A A . 12 LYS HZ2 1 1 17 11110 1 1 12 LYS HZ3 H 2.115 -3.241 -10.179 1.00 . A A . 12 LYS HZ3 1 1 17 11111 1 1 12 LYS N N -0.070 -3.081 -7.102 1.00 . A A . 12 LYS N 1 1 17 11112 1 1 12 LYS NZ N 2.331 -3.792 -11.035 1.00 . A A . 12 LYS NZ 1 1 17 11113 1 1 12 LYS O O 0.016 -6.455 -5.817 1.00 . A A . 12 LYS O 1 1 17 11114 1 1 13 ASP C C 2.219 -5.881 -3.787 1.00 . A A . 13 ASP C 1 1 17 11115 1 1 13 ASP CA C 2.561 -5.799 -5.274 1.00 . A A . 13 ASP CA 1 1 17 11116 1 1 13 ASP CB C 3.972 -5.240 -5.459 1.00 . A A . 13 ASP CB 1 1 17 11117 1 1 13 ASP CG C 4.849 -6.271 -6.176 1.00 . A A . 13 ASP CG 1 1 17 11118 1 1 13 ASP H H 1.870 -4.067 -6.354 1.00 . A A . 13 ASP H 1 1 17 11119 1 1 13 ASP HA H 2.520 -6.795 -5.694 1.00 . A A . 13 ASP HA 1 1 17 11120 1 1 13 ASP HB2 H 3.913 -4.349 -6.053 1.00 . A A . 13 ASP HB2 1 1 17 11121 1 1 13 ASP HB3 H 4.404 -5.009 -4.496 1.00 . A A . 13 ASP HB3 1 1 17 11122 1 1 13 ASP N N 1.587 -4.938 -6.006 1.00 . A A . 13 ASP N 1 1 17 11123 1 1 13 ASP O O 2.800 -6.665 -3.068 1.00 . A A . 13 ASP O 1 1 17 11124 1 1 13 ASP OD1 O 5.064 -7.330 -5.611 1.00 . A A . 13 ASP OD1 1 1 17 11125 1 1 13 ASP OD2 O 5.281 -5.988 -7.278 1.00 . A A . 13 ASP OD2 1 1 17 11126 1 1 14 CYS C C -0.130 -6.299 -1.741 1.00 . A A . 14 CYS C 1 1 17 11127 1 1 14 CYS CA C 0.929 -5.219 -1.883 1.00 . A A . 14 CYS CA 1 1 17 11128 1 1 14 CYS CB C 0.381 -3.889 -1.397 1.00 . A A . 14 CYS CB 1 1 17 11129 1 1 14 CYS H H 0.791 -4.494 -3.877 1.00 . A A . 14 CYS H 1 1 17 11130 1 1 14 CYS HA H 1.803 -5.488 -1.305 1.00 . A A . 14 CYS HA 1 1 17 11131 1 1 14 CYS HB2 H -0.304 -3.497 -2.133 1.00 . A A . 14 CYS HB2 1 1 17 11132 1 1 14 CYS HB3 H -0.132 -4.035 -0.484 1.00 . A A . 14 CYS HB3 1 1 17 11133 1 1 14 CYS N N 1.277 -5.117 -3.307 1.00 . A A . 14 CYS N 1 1 17 11134 1 1 14 CYS O O -0.983 -6.461 -2.593 1.00 . A A . 14 CYS O 1 1 17 11135 1 1 14 CYS SG S 1.739 -2.718 -1.162 1.00 . A A . 14 CYS SG 1 1 17 11136 1 1 15 CYS C C -2.466 -7.574 -0.661 1.00 . A A . 15 CYS C 1 1 17 11137 1 1 15 CYS CA C -1.062 -8.143 -0.532 1.00 . A A . 15 CYS CA 1 1 17 11138 1 1 15 CYS CB C -0.866 -8.818 0.827 1.00 . A A . 15 CYS CB 1 1 17 11139 1 1 15 CYS H H 0.632 -6.927 -0.027 1.00 . A A . 15 CYS H 1 1 17 11140 1 1 15 CYS HA H -0.916 -8.871 -1.315 1.00 . A A . 15 CYS HA 1 1 17 11141 1 1 15 CYS HB2 H -0.093 -8.301 1.377 1.00 . A A . 15 CYS HB2 1 1 17 11142 1 1 15 CYS HB3 H -1.785 -8.786 1.387 1.00 . A A . 15 CYS HB3 1 1 17 11143 1 1 15 CYS N N -0.072 -7.058 -0.695 1.00 . A A . 15 CYS N 1 1 17 11144 1 1 15 CYS O O -2.729 -6.428 -0.348 1.00 . A A . 15 CYS O 1 1 17 11145 1 1 15 CYS SG S -0.371 -10.540 0.567 1.00 . A A . 15 CYS SG 1 1 17 11146 1 1 16 CYS C C -5.251 -7.244 -0.069 1.00 . A A . 16 CYS C 1 1 17 11147 1 1 16 CYS CA C -4.748 -7.908 -1.344 1.00 . A A . 16 CYS CA 1 1 17 11148 1 1 16 CYS CB C -5.607 -9.120 -1.719 1.00 . A A . 16 CYS CB 1 1 17 11149 1 1 16 CYS H H -3.107 -9.277 -1.417 1.00 . A A . 16 CYS H 1 1 17 11150 1 1 16 CYS HA H -4.777 -7.184 -2.140 1.00 . A A . 16 CYS HA 1 1 17 11151 1 1 16 CYS HB2 H -6.128 -9.485 -0.849 1.00 . A A . 16 CYS HB2 1 1 17 11152 1 1 16 CYS HB3 H -6.315 -8.836 -2.473 1.00 . A A . 16 CYS HB3 1 1 17 11153 1 1 16 CYS N N -3.358 -8.368 -1.152 1.00 . A A . 16 CYS N 1 1 17 11154 1 1 16 CYS O O -5.297 -7.834 0.992 1.00 . A A . 16 CYS O 1 1 17 11155 1 1 16 CYS SG S -4.527 -10.426 -2.372 1.00 . A A . 16 CYS SG 1 1 17 11156 1 1 17 GLY C C -5.055 -4.236 1.450 1.00 . A A . 17 GLY C 1 1 17 11157 1 1 17 GLY CA C -6.116 -5.240 1.000 1.00 . A A . 17 GLY CA 1 1 17 11158 1 1 17 GLY H H -5.551 -5.563 -1.063 1.00 . A A . 17 GLY H 1 1 17 11159 1 1 17 GLY HA2 H -7.011 -4.709 0.728 1.00 . A A . 17 GLY HA2 1 1 17 11160 1 1 17 GLY HA3 H -6.330 -5.919 1.812 1.00 . A A . 17 GLY HA3 1 1 17 11161 1 1 17 GLY N N -5.616 -6.000 -0.184 1.00 . A A . 17 GLY N 1 1 17 11162 1 1 17 GLY O O -5.255 -3.485 2.384 1.00 . A A . 17 GLY O 1 1 17 11163 1 1 18 TYR C C -2.369 -2.543 -0.110 1.00 . A A . 18 TYR C 1 1 17 11164 1 1 18 TYR CA C -2.854 -3.256 1.163 1.00 . A A . 18 TYR CA 1 1 17 11165 1 1 18 TYR CB C -1.706 -4.031 1.814 1.00 . A A . 18 TYR CB 1 1 17 11166 1 1 18 TYR CD1 C -2.400 -4.192 4.239 1.00 . A A . 18 TYR CD1 1 1 17 11167 1 1 18 TYR CD2 C -2.542 -6.169 2.847 1.00 . A A . 18 TYR CD2 1 1 17 11168 1 1 18 TYR CE1 C -2.887 -4.929 5.327 1.00 . A A . 18 TYR CE1 1 1 17 11169 1 1 18 TYR CE2 C -3.028 -6.904 3.934 1.00 . A A . 18 TYR CE2 1 1 17 11170 1 1 18 TYR CG C -2.229 -4.814 2.997 1.00 . A A . 18 TYR CG 1 1 17 11171 1 1 18 TYR CZ C -3.200 -6.283 5.174 1.00 . A A . 18 TYR CZ 1 1 17 11172 1 1 18 TYR H H -3.788 -4.865 0.010 1.00 . A A . 18 TYR H 1 1 17 11173 1 1 18 TYR HA H -3.239 -2.527 1.859 1.00 . A A . 18 TYR HA 1 1 17 11174 1 1 18 TYR HB2 H -1.278 -4.715 1.097 1.00 . A A . 18 TYR HB2 1 1 17 11175 1 1 18 TYR HB3 H -0.954 -3.339 2.149 1.00 . A A . 18 TYR HB3 1 1 17 11176 1 1 18 TYR HD1 H -2.157 -3.147 4.359 1.00 . A A . 18 TYR HD1 1 1 17 11177 1 1 18 TYR HD2 H -2.408 -6.650 1.891 1.00 . A A . 18 TYR HD2 1 1 17 11178 1 1 18 TYR HE1 H -3.021 -4.454 6.284 1.00 . A A . 18 TYR HE1 1 1 17 11179 1 1 18 TYR HE2 H -3.268 -7.950 3.815 1.00 . A A . 18 TYR HE2 1 1 17 11180 1 1 18 TYR HH H -3.188 -7.826 6.296 1.00 . A A . 18 TYR HH 1 1 17 11181 1 1 18 TYR N N -3.932 -4.215 0.789 1.00 . A A . 18 TYR N 1 1 17 11182 1 1 18 TYR O O -2.340 -3.127 -1.174 1.00 . A A . 18 TYR O 1 1 17 11183 1 1 18 TYR OH O -3.681 -7.004 6.247 1.00 . A A . 18 TYR OH 1 1 17 11184 1 1 19 ASN C C -0.096 -0.075 -1.061 1.00 . A A . 19 ASN C 1 1 17 11185 1 1 19 ASN CA C -1.545 -0.540 -1.239 1.00 . A A . 19 ASN CA 1 1 17 11186 1 1 19 ASN CB C -2.436 0.684 -1.458 1.00 . A A . 19 ASN CB 1 1 17 11187 1 1 19 ASN CG C -2.580 1.454 -0.144 1.00 . A A . 19 ASN CG 1 1 17 11188 1 1 19 ASN H H -2.051 -0.825 0.845 1.00 . A A . 19 ASN H 1 1 17 11189 1 1 19 ASN HA H -1.608 -1.183 -2.103 1.00 . A A . 19 ASN HA 1 1 17 11190 1 1 19 ASN HB2 H -1.988 1.326 -2.204 1.00 . A A . 19 ASN HB2 1 1 17 11191 1 1 19 ASN HB3 H -3.409 0.365 -1.795 1.00 . A A . 19 ASN HB3 1 1 17 11192 1 1 19 ASN HD21 H -2.047 3.193 -0.935 1.00 . A A . 19 ASN HD21 1 1 17 11193 1 1 19 ASN HD22 H -2.416 3.232 0.722 1.00 . A A . 19 ASN HD22 1 1 17 11194 1 1 19 ASN N N -2.008 -1.284 -0.019 1.00 . A A . 19 ASN N 1 1 17 11195 1 1 19 ASN ND2 N -2.327 2.733 -0.118 1.00 . A A . 19 ASN ND2 1 1 17 11196 1 1 19 ASN O O 0.456 -0.140 0.015 1.00 . A A . 19 ASN O 1 1 17 11197 1 1 19 ASN OD1 O -2.921 0.884 0.872 1.00 . A A . 19 ASN OD1 1 1 17 11198 1 1 20 CYS C C 1.959 2.350 -1.683 1.00 . A A . 20 CYS C 1 1 17 11199 1 1 20 CYS CA C 1.934 0.863 -2.045 1.00 . A A . 20 CYS CA 1 1 17 11200 1 1 20 CYS CB C 2.585 0.665 -3.421 1.00 . A A . 20 CYS CB 1 1 17 11201 1 1 20 CYS H H 0.039 0.434 -2.977 1.00 . A A . 20 CYS H 1 1 17 11202 1 1 20 CYS HA H 2.464 0.294 -1.300 1.00 . A A . 20 CYS HA 1 1 17 11203 1 1 20 CYS HB2 H 2.321 -0.309 -3.794 1.00 . A A . 20 CYS HB2 1 1 17 11204 1 1 20 CYS HB3 H 2.205 1.412 -4.098 1.00 . A A . 20 CYS HB3 1 1 17 11205 1 1 20 CYS N N 0.516 0.393 -2.121 1.00 . A A . 20 CYS N 1 1 17 11206 1 1 20 CYS O O 1.301 3.161 -2.307 1.00 . A A . 20 CYS O 1 1 17 11207 1 1 20 CYS SG S 4.398 0.796 -3.348 1.00 . A A . 20 CYS SG 1 1 17 11208 1 1 21 VAL C C 4.247 4.583 -0.201 1.00 . A A . 21 VAL C 1 1 17 11209 1 1 21 VAL CA C 2.785 4.147 -0.269 1.00 . A A . 21 VAL CA 1 1 17 11210 1 1 21 VAL CB C 2.131 4.307 1.102 1.00 . A A . 21 VAL CB 1 1 17 11211 1 1 21 VAL CG1 C 1.819 5.783 1.365 1.00 . A A . 21 VAL CG1 1 1 17 11212 1 1 21 VAL CG2 C 0.831 3.501 1.126 1.00 . A A . 21 VAL CG2 1 1 17 11213 1 1 21 VAL H H 3.232 2.040 -0.194 1.00 . A A . 21 VAL H 1 1 17 11214 1 1 21 VAL HA H 2.264 4.759 -0.991 1.00 . A A . 21 VAL HA 1 1 17 11215 1 1 21 VAL HB H 2.798 3.938 1.867 1.00 . A A . 21 VAL HB 1 1 17 11216 1 1 21 VAL HG11 H 1.295 6.201 0.517 1.00 . A A . 21 VAL HG11 1 1 17 11217 1 1 21 VAL HG12 H 2.742 6.323 1.520 1.00 . A A . 21 VAL HG12 1 1 17 11218 1 1 21 VAL HG13 H 1.201 5.869 2.246 1.00 . A A . 21 VAL HG13 1 1 17 11219 1 1 21 VAL HG21 H 0.217 3.831 1.946 1.00 . A A . 21 VAL HG21 1 1 17 11220 1 1 21 VAL HG22 H 1.061 2.452 1.247 1.00 . A A . 21 VAL HG22 1 1 17 11221 1 1 21 VAL HG23 H 0.300 3.646 0.196 1.00 . A A . 21 VAL HG23 1 1 17 11222 1 1 21 VAL N N 2.712 2.713 -0.681 1.00 . A A . 21 VAL N 1 1 17 11223 1 1 21 VAL O O 5.074 3.918 0.392 1.00 . A A . 21 VAL O 1 1 17 11224 1 1 22 TYR C C 6.313 6.670 0.629 1.00 . A A . 22 TYR C 1 1 17 11225 1 1 22 TYR CA C 5.991 6.150 -0.771 1.00 . A A . 22 TYR CA 1 1 17 11226 1 1 22 TYR CB C 6.182 7.278 -1.789 1.00 . A A . 22 TYR CB 1 1 17 11227 1 1 22 TYR CD1 C 8.288 6.760 -3.074 1.00 . A A . 22 TYR CD1 1 1 17 11228 1 1 22 TYR CD2 C 8.394 8.394 -1.285 1.00 . A A . 22 TYR CD2 1 1 17 11229 1 1 22 TYR CE1 C 9.651 6.948 -3.326 1.00 . A A . 22 TYR CE1 1 1 17 11230 1 1 22 TYR CE2 C 9.759 8.581 -1.537 1.00 . A A . 22 TYR CE2 1 1 17 11231 1 1 22 TYR CG C 7.657 7.482 -2.054 1.00 . A A . 22 TYR CG 1 1 17 11232 1 1 22 TYR CZ C 10.387 7.857 -2.558 1.00 . A A . 22 TYR CZ 1 1 17 11233 1 1 22 TYR H H 3.863 6.241 -1.303 1.00 . A A . 22 TYR H 1 1 17 11234 1 1 22 TYR HA H 6.647 5.327 -1.011 1.00 . A A . 22 TYR HA 1 1 17 11235 1 1 22 TYR HB2 H 5.685 7.015 -2.710 1.00 . A A . 22 TYR HB2 1 1 17 11236 1 1 22 TYR HB3 H 5.758 8.191 -1.400 1.00 . A A . 22 TYR HB3 1 1 17 11237 1 1 22 TYR HD1 H 7.722 6.057 -3.668 1.00 . A A . 22 TYR HD1 1 1 17 11238 1 1 22 TYR HD2 H 7.909 8.952 -0.497 1.00 . A A . 22 TYR HD2 1 1 17 11239 1 1 22 TYR HE1 H 10.137 6.390 -4.113 1.00 . A A . 22 TYR HE1 1 1 17 11240 1 1 22 TYR HE2 H 10.328 9.281 -0.943 1.00 . A A . 22 TYR HE2 1 1 17 11241 1 1 22 TYR HH H 12.223 7.719 -2.056 1.00 . A A . 22 TYR HH 1 1 17 11242 1 1 22 TYR N N 4.578 5.690 -0.805 1.00 . A A . 22 TYR N 1 1 17 11243 1 1 22 TYR O O 5.730 7.627 1.097 1.00 . A A . 22 TYR O 1 1 17 11244 1 1 22 TYR OH O 11.730 8.045 -2.812 1.00 . A A . 22 TYR OH 1 1 17 11245 1 1 23 ALA C C 8.732 7.568 2.519 1.00 . A A . 23 ALA C 1 1 17 11246 1 1 23 ALA CA C 7.620 6.526 2.657 1.00 . A A . 23 ALA CA 1 1 17 11247 1 1 23 ALA CB C 8.098 5.332 3.495 1.00 . A A . 23 ALA CB 1 1 17 11248 1 1 23 ALA H H 7.716 5.293 0.898 1.00 . A A . 23 ALA H 1 1 17 11249 1 1 23 ALA HA H 6.759 6.980 3.129 1.00 . A A . 23 ALA HA 1 1 17 11250 1 1 23 ALA HB1 H 7.853 4.412 2.981 1.00 . A A . 23 ALA HB1 1 1 17 11251 1 1 23 ALA HB2 H 7.603 5.346 4.453 1.00 . A A . 23 ALA HB2 1 1 17 11252 1 1 23 ALA HB3 H 9.167 5.388 3.639 1.00 . A A . 23 ALA HB3 1 1 17 11253 1 1 23 ALA N N 7.250 6.056 1.296 1.00 . A A . 23 ALA N 1 1 17 11254 1 1 23 ALA O O 9.896 7.241 2.404 1.00 . A A . 23 ALA O 1 1 17 11255 1 1 24 TRP C C 10.500 9.741 3.375 1.00 . A A . 24 TRP C 1 1 17 11256 1 1 24 TRP CA C 9.387 9.894 2.335 1.00 . A A . 24 TRP CA 1 1 17 11257 1 1 24 TRP CB C 8.712 11.258 2.489 1.00 . A A . 24 TRP CB 1 1 17 11258 1 1 24 TRP CD1 C 7.485 10.577 4.599 1.00 . A A . 24 TRP CD1 1 1 17 11259 1 1 24 TRP CD2 C 8.492 12.579 4.786 1.00 . A A . 24 TRP CD2 1 1 17 11260 1 1 24 TRP CE2 C 7.856 12.326 6.023 1.00 . A A . 24 TRP CE2 1 1 17 11261 1 1 24 TRP CE3 C 9.201 13.784 4.639 1.00 . A A . 24 TRP CE3 1 1 17 11262 1 1 24 TRP CG C 8.248 11.449 3.900 1.00 . A A . 24 TRP CG 1 1 17 11263 1 1 24 TRP CH2 C 8.628 14.429 6.916 1.00 . A A . 24 TRP CH2 1 1 17 11264 1 1 24 TRP CZ2 C 7.920 13.236 7.078 1.00 . A A . 24 TRP CZ2 1 1 17 11265 1 1 24 TRP CZ3 C 9.267 14.703 5.699 1.00 . A A . 24 TRP CZ3 1 1 17 11266 1 1 24 TRP H H 7.422 9.052 2.569 1.00 . A A . 24 TRP H 1 1 17 11267 1 1 24 TRP HA H 9.818 9.824 1.347 1.00 . A A . 24 TRP HA 1 1 17 11268 1 1 24 TRP HB2 H 9.416 12.036 2.235 1.00 . A A . 24 TRP HB2 1 1 17 11269 1 1 24 TRP HB3 H 7.863 11.313 1.822 1.00 . A A . 24 TRP HB3 1 1 17 11270 1 1 24 TRP HD1 H 7.117 9.630 4.238 1.00 . A A . 24 TRP HD1 1 1 17 11271 1 1 24 TRP HE1 H 6.734 10.658 6.565 1.00 . A A . 24 TRP HE1 1 1 17 11272 1 1 24 TRP HE3 H 9.697 14.005 3.705 1.00 . A A . 24 TRP HE3 1 1 17 11273 1 1 24 TRP HH2 H 8.681 15.140 7.726 1.00 . A A . 24 TRP HH2 1 1 17 11274 1 1 24 TRP HZ2 H 7.426 13.020 8.014 1.00 . A A . 24 TRP HZ2 1 1 17 11275 1 1 24 TRP HZ3 H 9.813 15.628 5.575 1.00 . A A . 24 TRP HZ3 1 1 17 11276 1 1 24 TRP N N 8.371 8.818 2.496 1.00 . A A . 24 TRP N 1 1 17 11277 1 1 24 TRP NE1 N 7.256 11.096 5.859 1.00 . A A . 24 TRP NE1 1 1 17 11278 1 1 24 TRP O O 11.663 9.928 3.075 1.00 . A A . 24 TRP O 1 1 17 11279 1 1 25 TYR C C 11.993 7.944 5.343 1.00 . A A . 25 TYR C 1 1 17 11280 1 1 25 TYR CA C 11.237 9.246 5.620 1.00 . A A . 25 TYR CA 1 1 17 11281 1 1 25 TYR CB C 10.615 9.251 7.029 1.00 . A A . 25 TYR CB 1 1 17 11282 1 1 25 TYR CD1 C 9.389 7.061 6.677 1.00 . A A . 25 TYR CD1 1 1 17 11283 1 1 25 TYR CD2 C 10.710 7.352 8.691 1.00 . A A . 25 TYR CD2 1 1 17 11284 1 1 25 TYR CE1 C 9.023 5.777 7.107 1.00 . A A . 25 TYR CE1 1 1 17 11285 1 1 25 TYR CE2 C 10.346 6.069 9.117 1.00 . A A . 25 TYR CE2 1 1 17 11286 1 1 25 TYR CG C 10.233 7.849 7.469 1.00 . A A . 25 TYR CG 1 1 17 11287 1 1 25 TYR CZ C 9.502 5.282 8.325 1.00 . A A . 25 TYR CZ 1 1 17 11288 1 1 25 TYR H H 9.180 9.244 4.839 1.00 . A A . 25 TYR H 1 1 17 11289 1 1 25 TYR HA H 11.926 10.074 5.534 1.00 . A A . 25 TYR HA 1 1 17 11290 1 1 25 TYR HB2 H 11.328 9.661 7.731 1.00 . A A . 25 TYR HB2 1 1 17 11291 1 1 25 TYR HB3 H 9.732 9.875 7.023 1.00 . A A . 25 TYR HB3 1 1 17 11292 1 1 25 TYR HD1 H 9.020 7.442 5.735 1.00 . A A . 25 TYR HD1 1 1 17 11293 1 1 25 TYR HD2 H 11.361 7.958 9.303 1.00 . A A . 25 TYR HD2 1 1 17 11294 1 1 25 TYR HE1 H 8.376 5.166 6.498 1.00 . A A . 25 TYR HE1 1 1 17 11295 1 1 25 TYR HE2 H 10.717 5.686 10.054 1.00 . A A . 25 TYR HE2 1 1 17 11296 1 1 25 TYR HH H 8.550 3.643 8.086 1.00 . A A . 25 TYR HH 1 1 17 11297 1 1 25 TYR N N 10.168 9.403 4.593 1.00 . A A . 25 TYR N 1 1 17 11298 1 1 25 TYR O O 11.407 6.932 5.024 1.00 . A A . 25 TYR O 1 1 17 11299 1 1 25 TYR OH O 9.136 4.021 8.748 1.00 . A A . 25 TYR OH 1 1 17 11300 1 1 26 ASN C C 13.742 6.249 3.724 1.00 . A A . 26 ASN C 1 1 17 11301 1 1 26 ASN CA C 14.092 6.750 5.135 1.00 . A A . 26 ASN CA 1 1 17 11302 1 1 26 ASN CB C 13.795 5.674 6.193 1.00 . A A . 26 ASN CB 1 1 17 11303 1 1 26 ASN CG C 12.861 4.610 5.618 1.00 . A A . 26 ASN CG 1 1 17 11304 1 1 26 ASN H H 13.752 8.809 5.664 1.00 . A A . 26 ASN H 1 1 17 11305 1 1 26 ASN HA H 15.139 6.996 5.167 1.00 . A A . 26 ASN HA 1 1 17 11306 1 1 26 ASN HB2 H 14.721 5.208 6.501 1.00 . A A . 26 ASN HB2 1 1 17 11307 1 1 26 ASN HB3 H 13.327 6.135 7.048 1.00 . A A . 26 ASN HB3 1 1 17 11308 1 1 26 ASN HD21 H 11.220 5.539 6.226 1.00 . A A . 26 ASN HD21 1 1 17 11309 1 1 26 ASN HD22 H 10.969 4.091 5.385 1.00 . A A . 26 ASN HD22 1 1 17 11310 1 1 26 ASN N N 13.296 7.975 5.428 1.00 . A A . 26 ASN N 1 1 17 11311 1 1 26 ASN ND2 N 11.576 4.756 5.758 1.00 . A A . 26 ASN ND2 1 1 17 11312 1 1 26 ASN O O 14.088 5.152 3.339 1.00 . A A . 26 ASN O 1 1 17 11313 1 1 26 ASN OD1 O 13.303 3.639 5.038 1.00 . A A . 26 ASN OD1 1 1 17 11314 1 1 27 GLN C C 12.029 5.278 1.570 1.00 . A A . 27 GLN C 1 1 17 11315 1 1 27 GLN CA C 12.702 6.664 1.556 1.00 . A A . 27 GLN CA 1 1 17 11316 1 1 27 GLN CB C 13.982 6.648 0.691 1.00 . A A . 27 GLN CB 1 1 17 11317 1 1 27 GLN CD C 14.520 9.086 0.841 1.00 . A A . 27 GLN CD 1 1 17 11318 1 1 27 GLN CG C 14.096 7.959 -0.101 1.00 . A A . 27 GLN CG 1 1 17 11319 1 1 27 GLN H H 12.813 7.951 3.279 1.00 . A A . 27 GLN H 1 1 17 11320 1 1 27 GLN HA H 12.005 7.385 1.156 1.00 . A A . 27 GLN HA 1 1 17 11321 1 1 27 GLN HB2 H 14.844 6.548 1.333 1.00 . A A . 27 GLN HB2 1 1 17 11322 1 1 27 GLN HB3 H 13.957 5.822 0.020 1.00 . A A . 27 GLN HB3 1 1 17 11323 1 1 27 GLN HE21 H 12.676 9.784 1.070 1.00 . A A . 27 GLN HE21 1 1 17 11324 1 1 27 GLN HE22 H 13.881 10.624 1.920 1.00 . A A . 27 GLN HE22 1 1 17 11325 1 1 27 GLN HG2 H 14.835 7.843 -0.881 1.00 . A A . 27 GLN HG2 1 1 17 11326 1 1 27 GLN HG3 H 13.142 8.202 -0.546 1.00 . A A . 27 GLN HG3 1 1 17 11327 1 1 27 GLN N N 13.069 7.065 2.948 1.00 . A A . 27 GLN N 1 1 17 11328 1 1 27 GLN NE2 N 13.617 9.899 1.316 1.00 . A A . 27 GLN NE2 1 1 17 11329 1 1 27 GLN O O 11.451 4.877 2.560 1.00 . A A . 27 GLN O 1 1 17 11330 1 1 27 GLN OE1 O 15.686 9.226 1.152 1.00 . A A . 27 GLN OE1 1 1 17 11331 1 1 28 GLN C C 9.927 3.345 0.589 1.00 . A A . 28 GLN C 1 1 17 11332 1 1 28 GLN CA C 11.437 3.212 0.412 1.00 . A A . 28 GLN CA 1 1 17 11333 1 1 28 GLN CB C 12.014 2.302 1.509 1.00 . A A . 28 GLN CB 1 1 17 11334 1 1 28 GLN CD C 11.400 0.127 0.454 1.00 . A A . 28 GLN CD 1 1 17 11335 1 1 28 GLN CG C 11.172 1.032 1.664 1.00 . A A . 28 GLN CG 1 1 17 11336 1 1 28 GLN H H 12.534 4.910 -0.316 1.00 . A A . 28 GLN H 1 1 17 11337 1 1 28 GLN HA H 11.640 2.773 -0.554 1.00 . A A . 28 GLN HA 1 1 17 11338 1 1 28 GLN HB2 H 13.011 2.018 1.233 1.00 . A A . 28 GLN HB2 1 1 17 11339 1 1 28 GLN HB3 H 12.037 2.831 2.446 1.00 . A A . 28 GLN HB3 1 1 17 11340 1 1 28 GLN HE21 H 10.491 1.352 -0.813 1.00 . A A . 28 GLN HE21 1 1 17 11341 1 1 28 GLN HE22 H 11.101 -0.076 -1.495 1.00 . A A . 28 GLN HE22 1 1 17 11342 1 1 28 GLN HG2 H 11.476 0.512 2.563 1.00 . A A . 28 GLN HG2 1 1 17 11343 1 1 28 GLN HG3 H 10.125 1.285 1.734 1.00 . A A . 28 GLN HG3 1 1 17 11344 1 1 28 GLN N N 12.081 4.559 0.474 1.00 . A A . 28 GLN N 1 1 17 11345 1 1 28 GLN NE2 N 10.962 0.499 -0.715 1.00 . A A . 28 GLN NE2 1 1 17 11346 1 1 28 GLN O O 9.445 4.167 1.340 1.00 . A A . 28 GLN O 1 1 17 11347 1 1 28 GLN OE1 O 12.001 -0.921 0.573 1.00 . A A . 28 GLN OE1 1 1 17 11348 1 1 29 SER C C 7.234 1.451 0.934 1.00 . A A . 29 SER C 1 1 17 11349 1 1 29 SER CA C 7.702 2.565 0.040 1.00 . A A . 29 SER CA 1 1 17 11350 1 1 29 SER CB C 7.091 2.339 -1.369 1.00 . A A . 29 SER CB 1 1 17 11351 1 1 29 SER H H 9.608 1.872 -0.697 1.00 . A A . 29 SER H 1 1 17 11352 1 1 29 SER HA H 7.385 3.523 0.389 1.00 . A A . 29 SER HA 1 1 17 11353 1 1 29 SER HB2 H 7.437 1.398 -1.768 1.00 . A A . 29 SER HB2 1 1 17 11354 1 1 29 SER HB3 H 6.022 2.309 -1.266 1.00 . A A . 29 SER HB3 1 1 17 11355 1 1 29 SER HG H 8.325 3.723 -1.945 1.00 . A A . 29 SER HG 1 1 17 11356 1 1 29 SER N N 9.185 2.526 -0.103 1.00 . A A . 29 SER N 1 1 17 11357 1 1 29 SER O O 7.910 0.459 1.099 1.00 . A A . 29 SER O 1 1 17 11358 1 1 29 SER OG O 7.475 3.391 -2.241 1.00 . A A . 29 SER OG 1 1 17 11359 1 1 30 SER C C 4.102 0.262 2.192 1.00 . A A . 30 SER C 1 1 17 11360 1 1 30 SER CA C 5.583 0.530 2.437 1.00 . A A . 30 SER CA 1 1 17 11361 1 1 30 SER CB C 5.790 0.953 3.891 1.00 . A A . 30 SER CB 1 1 17 11362 1 1 30 SER H H 5.542 2.377 1.377 1.00 . A A . 30 SER H 1 1 17 11363 1 1 30 SER HA H 6.128 -0.360 2.247 1.00 . A A . 30 SER HA 1 1 17 11364 1 1 30 SER HB2 H 6.832 1.162 4.063 1.00 . A A . 30 SER HB2 1 1 17 11365 1 1 30 SER HB3 H 5.207 1.843 4.091 1.00 . A A . 30 SER HB3 1 1 17 11366 1 1 30 SER HG H 5.263 0.261 5.633 1.00 . A A . 30 SER HG 1 1 17 11367 1 1 30 SER N N 6.079 1.591 1.530 1.00 . A A . 30 SER N 1 1 17 11368 1 1 30 SER O O 3.313 1.166 2.002 1.00 . A A . 30 SER O 1 1 17 11369 1 1 30 SER OG O 5.376 -0.101 4.751 1.00 . A A . 30 SER OG 1 1 17 11370 1 1 31 CYS C C 1.466 -0.830 3.171 1.00 . A A . 31 CYS C 1 1 17 11371 1 1 31 CYS CA C 2.300 -1.342 1.992 1.00 . A A . 31 CYS CA 1 1 17 11372 1 1 31 CYS CB C 2.144 -2.865 1.893 1.00 . A A . 31 CYS CB 1 1 17 11373 1 1 31 CYS H H 4.385 -1.694 2.371 1.00 . A A . 31 CYS H 1 1 17 11374 1 1 31 CYS HA H 1.956 -0.888 1.081 1.00 . A A . 31 CYS HA 1 1 17 11375 1 1 31 CYS HB2 H 2.656 -3.325 2.727 1.00 . A A . 31 CYS HB2 1 1 17 11376 1 1 31 CYS HB3 H 1.106 -3.123 1.938 1.00 . A A . 31 CYS HB3 1 1 17 11377 1 1 31 CYS N N 3.725 -0.986 2.208 1.00 . A A . 31 CYS N 1 1 17 11378 1 1 31 CYS O O 1.926 -0.781 4.292 1.00 . A A . 31 CYS O 1 1 17 11379 1 1 31 CYS SG S 2.868 -3.481 0.344 1.00 . A A . 31 CYS SG 1 1 17 11380 1 1 32 GLU C C -2.059 -0.451 3.813 1.00 . A A . 32 GLU C 1 1 17 11381 1 1 32 GLU CA C -0.625 0.017 4.052 1.00 . A A . 32 GLU CA 1 1 17 11382 1 1 32 GLU CB C -0.554 1.550 4.162 1.00 . A A . 32 GLU CB 1 1 17 11383 1 1 32 GLU CD C -1.746 3.683 3.657 1.00 . A A . 32 GLU CD 1 1 17 11384 1 1 32 GLU CG C -1.630 2.200 3.298 1.00 . A A . 32 GLU CG 1 1 17 11385 1 1 32 GLU H H -0.128 -0.524 2.024 1.00 . A A . 32 GLU H 1 1 17 11386 1 1 32 GLU HA H -0.283 -0.412 4.974 1.00 . A A . 32 GLU HA 1 1 17 11387 1 1 32 GLU HB2 H -0.706 1.839 5.192 1.00 . A A . 32 GLU HB2 1 1 17 11388 1 1 32 GLU HB3 H 0.417 1.885 3.836 1.00 . A A . 32 GLU HB3 1 1 17 11389 1 1 32 GLU HG2 H -1.372 2.094 2.253 1.00 . A A . 32 GLU HG2 1 1 17 11390 1 1 32 GLU HG3 H -2.572 1.716 3.488 1.00 . A A . 32 GLU HG3 1 1 17 11391 1 1 32 GLU N N 0.235 -0.464 2.933 1.00 . A A . 32 GLU N 1 1 17 11392 1 1 32 GLU O O -2.548 -0.450 2.702 1.00 . A A . 32 GLU O 1 1 17 11393 1 1 32 GLU OE1 O -0.722 4.290 3.928 1.00 . A A . 32 GLU OE1 1 1 17 11394 1 1 32 GLU OE2 O -2.856 4.190 3.650 1.00 . A A . 32 GLU OE2 1 1 17 11395 1 1 33 ARG C C -5.033 -0.220 4.207 1.00 . A A . 33 ARG C 1 1 17 11396 1 1 33 ARG CA C -4.123 -1.351 4.679 1.00 . A A . 33 ARG CA 1 1 17 11397 1 1 33 ARG CB C -4.651 -1.901 6.009 1.00 . A A . 33 ARG CB 1 1 17 11398 1 1 33 ARG CD C -7.073 -2.467 6.407 1.00 . A A . 33 ARG CD 1 1 17 11399 1 1 33 ARG CG C -5.778 -2.913 5.727 1.00 . A A . 33 ARG CG 1 1 17 11400 1 1 33 ARG CZ C -7.348 -2.089 8.806 1.00 . A A . 33 ARG CZ 1 1 17 11401 1 1 33 ARG H H -2.315 -0.874 5.734 1.00 . A A . 33 ARG H 1 1 17 11402 1 1 33 ARG HA H -4.132 -2.137 3.942 1.00 . A A . 33 ARG HA 1 1 17 11403 1 1 33 ARG HB2 H -3.846 -2.392 6.535 1.00 . A A . 33 ARG HB2 1 1 17 11404 1 1 33 ARG HB3 H -5.028 -1.090 6.613 1.00 . A A . 33 ARG HB3 1 1 17 11405 1 1 33 ARG HD2 H -7.156 -1.392 6.359 1.00 . A A . 33 ARG HD2 1 1 17 11406 1 1 33 ARG HD3 H -7.909 -2.911 5.888 1.00 . A A . 33 ARG HD3 1 1 17 11407 1 1 33 ARG HE H -6.840 -3.853 8.041 1.00 . A A . 33 ARG HE 1 1 17 11408 1 1 33 ARG HG2 H -5.948 -2.985 4.663 1.00 . A A . 33 ARG HG2 1 1 17 11409 1 1 33 ARG HG3 H -5.495 -3.881 6.108 1.00 . A A . 33 ARG HG3 1 1 17 11410 1 1 33 ARG HH11 H -7.681 -0.522 7.603 1.00 . A A . 33 ARG HH11 1 1 17 11411 1 1 33 ARG HH12 H -7.868 -0.219 9.295 1.00 . A A . 33 ARG HH12 1 1 17 11412 1 1 33 ARG HH21 H -7.086 -3.459 10.244 1.00 . A A . 33 ARG HH21 1 1 17 11413 1 1 33 ARG HH22 H -7.533 -1.875 10.789 1.00 . A A . 33 ARG HH22 1 1 17 11414 1 1 33 ARG N N -2.730 -0.869 4.847 1.00 . A A . 33 ARG N 1 1 17 11415 1 1 33 ARG NE N -7.065 -2.921 7.831 1.00 . A A . 33 ARG NE 1 1 17 11416 1 1 33 ARG NH1 N -7.656 -0.847 8.547 1.00 . A A . 33 ARG NH1 1 1 17 11417 1 1 33 ARG NH2 N -7.320 -2.507 10.043 1.00 . A A . 33 ARG NH2 1 1 17 11418 1 1 33 ARG O O -4.783 0.944 4.450 1.00 . A A . 33 ARG O 1 1 17 11419 1 1 34 LYS C C -8.406 -0.212 2.829 1.00 . A A . 34 LYS C 1 1 17 11420 1 1 34 LYS CA C -7.063 0.453 3.084 1.00 . A A . 34 LYS CA 1 1 17 11421 1 1 34 LYS CB C -6.580 1.089 1.793 1.00 . A A . 34 LYS CB 1 1 17 11422 1 1 34 LYS CD C -6.884 0.415 -0.638 1.00 . A A . 34 LYS CD 1 1 17 11423 1 1 34 LYS CE C -7.771 -0.689 -1.243 1.00 . A A . 34 LYS CE 1 1 17 11424 1 1 34 LYS CG C -6.331 -0.014 0.745 1.00 . A A . 34 LYS CG 1 1 17 11425 1 1 34 LYS H H -6.289 -1.504 3.398 1.00 . A A . 34 LYS H 1 1 17 11426 1 1 34 LYS HA H -7.173 1.200 3.840 1.00 . A A . 34 LYS HA 1 1 17 11427 1 1 34 LYS HB2 H -7.339 1.773 1.447 1.00 . A A . 34 LYS HB2 1 1 17 11428 1 1 34 LYS HB3 H -5.666 1.629 1.980 1.00 . A A . 34 LYS HB3 1 1 17 11429 1 1 34 LYS HD2 H -7.470 1.317 -0.535 1.00 . A A . 34 LYS HD2 1 1 17 11430 1 1 34 LYS HD3 H -6.057 0.610 -1.306 1.00 . A A . 34 LYS HD3 1 1 17 11431 1 1 34 LYS HE2 H -7.595 -0.747 -2.308 1.00 . A A . 34 LYS HE2 1 1 17 11432 1 1 34 LYS HE3 H -7.539 -1.642 -0.791 1.00 . A A . 34 LYS HE3 1 1 17 11433 1 1 34 LYS HG2 H -5.267 -0.188 0.667 1.00 . A A . 34 LYS HG2 1 1 17 11434 1 1 34 LYS HG3 H -6.811 -0.927 1.064 1.00 . A A . 34 LYS HG3 1 1 17 11435 1 1 34 LYS HZ1 H -9.748 -0.496 -1.878 1.00 . A A . 34 LYS HZ1 1 1 17 11436 1 1 34 LYS HZ2 H -9.288 0.634 -0.701 1.00 . A A . 34 LYS HZ2 1 1 17 11437 1 1 34 LYS HZ3 H -9.586 -0.978 -0.257 1.00 . A A . 34 LYS HZ3 1 1 17 11438 1 1 34 LYS N N -6.103 -0.567 3.556 1.00 . A A . 34 LYS N 1 1 17 11439 1 1 34 LYS NZ N -9.206 -0.358 -1.002 1.00 . A A . 34 LYS NZ 1 1 17 11440 1 1 34 LYS O O -8.833 -0.377 1.702 1.00 . A A . 34 LYS O 1 1 17 11441 1 1 35 TRP C C -11.496 -0.371 4.235 1.00 . A A . 35 TRP C 1 1 17 11442 1 1 35 TRP CA C -10.383 -1.267 3.699 1.00 . A A . 35 TRP CA 1 1 17 11443 1 1 35 TRP CB C -10.369 -2.617 4.430 1.00 . A A . 35 TRP CB 1 1 17 11444 1 1 35 TRP CD1 C -9.876 -1.379 6.614 1.00 . A A . 35 TRP CD1 1 1 17 11445 1 1 35 TRP CD2 C -10.823 -3.399 6.923 1.00 . A A . 35 TRP CD2 1 1 17 11446 1 1 35 TRP CE2 C -10.610 -2.850 8.209 1.00 . A A . 35 TRP CE2 1 1 17 11447 1 1 35 TRP CE3 C -11.411 -4.675 6.834 1.00 . A A . 35 TRP CE3 1 1 17 11448 1 1 35 TRP CG C -10.358 -2.447 5.923 1.00 . A A . 35 TRP CG 1 1 17 11449 1 1 35 TRP CH2 C -11.548 -4.813 9.260 1.00 . A A . 35 TRP CH2 1 1 17 11450 1 1 35 TRP CZ2 C -10.966 -3.546 9.367 1.00 . A A . 35 TRP CZ2 1 1 17 11451 1 1 35 TRP CZ3 C -11.770 -5.377 7.995 1.00 . A A . 35 TRP CZ3 1 1 17 11452 1 1 35 TRP H H -8.693 -0.460 4.747 1.00 . A A . 35 TRP H 1 1 17 11453 1 1 35 TRP HA H -10.564 -1.443 2.648 1.00 . A A . 35 TRP HA 1 1 17 11454 1 1 35 TRP HB2 H -11.245 -3.182 4.150 1.00 . A A . 35 TRP HB2 1 1 17 11455 1 1 35 TRP HB3 H -9.487 -3.166 4.133 1.00 . A A . 35 TRP HB3 1 1 17 11456 1 1 35 TRP HD1 H -9.448 -0.483 6.185 1.00 . A A . 35 TRP HD1 1 1 17 11457 1 1 35 TRP HE1 H -9.765 -1.007 8.685 1.00 . A A . 35 TRP HE1 1 1 17 11458 1 1 35 TRP HE3 H -11.585 -5.120 5.864 1.00 . A A . 35 TRP HE3 1 1 17 11459 1 1 35 TRP HH2 H -11.826 -5.357 10.149 1.00 . A A . 35 TRP HH2 1 1 17 11460 1 1 35 TRP HZ2 H -10.795 -3.106 10.338 1.00 . A A . 35 TRP HZ2 1 1 17 11461 1 1 35 TRP HZ3 H -12.219 -6.356 7.915 1.00 . A A . 35 TRP HZ3 1 1 17 11462 1 1 35 TRP N N -9.069 -0.599 3.864 1.00 . A A . 35 TRP N 1 1 17 11463 1 1 35 TRP NE1 N -10.030 -1.620 7.968 1.00 . A A . 35 TRP NE1 1 1 17 11464 1 1 35 TRP O O -11.436 0.156 5.328 1.00 . A A . 35 TRP O 1 1 17 11465 1 1 36 LYS C C -14.245 0.061 5.146 1.00 . A A . 36 LYS C 1 1 17 11466 1 1 36 LYS CA C -13.659 0.655 3.878 1.00 . A A . 36 LYS CA 1 1 17 11467 1 1 36 LYS CB C -14.708 0.678 2.756 1.00 . A A . 36 LYS CB 1 1 17 11468 1 1 36 LYS CD C -14.685 1.307 0.317 1.00 . A A . 36 LYS CD 1 1 17 11469 1 1 36 LYS CE C -13.509 0.485 -0.243 1.00 . A A . 36 LYS CE 1 1 17 11470 1 1 36 LYS CG C -14.368 1.786 1.743 1.00 . A A . 36 LYS CG 1 1 17 11471 1 1 36 LYS H H -12.541 -0.631 2.574 1.00 . A A . 36 LYS H 1 1 17 11472 1 1 36 LYS HA H -13.309 1.642 4.079 1.00 . A A . 36 LYS HA 1 1 17 11473 1 1 36 LYS HB2 H -14.709 -0.280 2.254 1.00 . A A . 36 LYS HB2 1 1 17 11474 1 1 36 LYS HB3 H -15.686 0.863 3.176 1.00 . A A . 36 LYS HB3 1 1 17 11475 1 1 36 LYS HD2 H -15.576 0.695 0.330 1.00 . A A . 36 LYS HD2 1 1 17 11476 1 1 36 LYS HD3 H -14.852 2.167 -0.317 1.00 . A A . 36 LYS HD3 1 1 17 11477 1 1 36 LYS HE2 H -13.230 0.870 -1.212 1.00 . A A . 36 LYS HE2 1 1 17 11478 1 1 36 LYS HE3 H -12.660 0.547 0.423 1.00 . A A . 36 LYS HE3 1 1 17 11479 1 1 36 LYS HG2 H -14.965 2.660 1.962 1.00 . A A . 36 LYS HG2 1 1 17 11480 1 1 36 LYS HG3 H -13.323 2.042 1.815 1.00 . A A . 36 LYS HG3 1 1 17 11481 1 1 36 LYS HZ1 H -14.890 -0.986 -0.755 1.00 . A A . 36 LYS HZ1 1 1 17 11482 1 1 36 LYS HZ2 H -13.890 -1.402 0.550 1.00 . A A . 36 LYS HZ2 1 1 17 11483 1 1 36 LYS HZ3 H -13.273 -1.427 -1.033 1.00 . A A . 36 LYS HZ3 1 1 17 11484 1 1 36 LYS N N -12.522 -0.198 3.452 1.00 . A A . 36 LYS N 1 1 17 11485 1 1 36 LYS NZ N -13.921 -0.940 -0.381 1.00 . A A . 36 LYS NZ 1 1 17 11486 1 1 36 LYS O O -14.668 0.757 6.043 1.00 . A A . 36 LYS O 1 1 17 11487 1 1 37 TYR C C -15.190 -3.382 5.928 1.00 . A A . 37 TYR C 1 1 17 11488 1 1 37 TYR CA C -14.773 -1.976 6.383 1.00 . A A . 37 TYR CA 1 1 17 11489 1 1 37 TYR CB C -15.977 -1.235 6.986 1.00 . A A . 37 TYR CB 1 1 17 11490 1 1 37 TYR CD1 C -16.018 -2.488 9.173 1.00 . A A . 37 TYR CD1 1 1 17 11491 1 1 37 TYR CD2 C -17.968 -2.582 7.737 1.00 . A A . 37 TYR CD2 1 1 17 11492 1 1 37 TYR CE1 C -16.662 -3.316 10.101 1.00 . A A . 37 TYR CE1 1 1 17 11493 1 1 37 TYR CE2 C -18.612 -3.409 8.664 1.00 . A A . 37 TYR CE2 1 1 17 11494 1 1 37 TYR CG C -16.672 -2.122 7.991 1.00 . A A . 37 TYR CG 1 1 17 11495 1 1 37 TYR CZ C -17.959 -3.775 9.847 1.00 . A A . 37 TYR CZ 1 1 17 11496 1 1 37 TYR H H -13.866 -1.761 4.403 1.00 . A A . 37 TYR H 1 1 17 11497 1 1 37 TYR HA H -13.994 -2.061 7.129 1.00 . A A . 37 TYR HA 1 1 17 11498 1 1 37 TYR HB2 H -15.636 -0.340 7.485 1.00 . A A . 37 TYR HB2 1 1 17 11499 1 1 37 TYR HB3 H -16.668 -0.968 6.200 1.00 . A A . 37 TYR HB3 1 1 17 11500 1 1 37 TYR HD1 H -15.016 -2.134 9.369 1.00 . A A . 37 TYR HD1 1 1 17 11501 1 1 37 TYR HD2 H -18.472 -2.299 6.824 1.00 . A A . 37 TYR HD2 1 1 17 11502 1 1 37 TYR HE1 H -16.157 -3.599 11.014 1.00 . A A . 37 TYR HE1 1 1 17 11503 1 1 37 TYR HE2 H -19.613 -3.764 8.467 1.00 . A A . 37 TYR HE2 1 1 17 11504 1 1 37 TYR HH H -19.504 -4.294 10.839 1.00 . A A . 37 TYR HH 1 1 17 11505 1 1 37 TYR N N -14.244 -1.228 5.200 1.00 . A A . 37 TYR N 1 1 17 11506 1 1 37 TYR O O -16.058 -4.003 6.508 1.00 . A A . 37 TYR O 1 1 17 11507 1 1 37 TYR OH O -18.592 -4.589 10.762 1.00 . A A . 37 TYR OH 1 1 17 11508 1 1 38 LEU C C -13.997 -5.620 3.224 1.00 . A A . 38 LEU C 1 1 17 11509 1 1 38 LEU CA C -14.910 -5.247 4.401 1.00 . A A . 38 LEU CA 1 1 17 11510 1 1 38 LEU CB C -16.405 -5.306 4.004 1.00 . A A . 38 LEU CB 1 1 17 11511 1 1 38 LEU CD1 C -15.884 -3.385 2.379 1.00 . A A . 38 LEU CD1 1 1 17 11512 1 1 38 LEU CD2 C -16.428 -5.681 1.497 1.00 . A A . 38 LEU CD2 1 1 17 11513 1 1 38 LEU CG C -16.701 -4.669 2.621 1.00 . A A . 38 LEU CG 1 1 17 11514 1 1 38 LEU H H -13.862 -3.389 4.457 1.00 . A A . 38 LEU H 1 1 17 11515 1 1 38 LEU HA H -14.734 -5.947 5.201 1.00 . A A . 38 LEU HA 1 1 17 11516 1 1 38 LEU HB2 H -16.717 -6.338 3.987 1.00 . A A . 38 LEU HB2 1 1 17 11517 1 1 38 LEU HB3 H -16.985 -4.791 4.753 1.00 . A A . 38 LEU HB3 1 1 17 11518 1 1 38 LEU HD11 H -16.479 -2.528 2.660 1.00 . A A . 38 LEU HD11 1 1 17 11519 1 1 38 LEU HD12 H -15.630 -3.312 1.332 1.00 . A A . 38 LEU HD12 1 1 17 11520 1 1 38 LEU HD13 H -14.982 -3.396 2.959 1.00 . A A . 38 LEU HD13 1 1 17 11521 1 1 38 LEU HD21 H -17.246 -5.660 0.792 1.00 . A A . 38 LEU HD21 1 1 17 11522 1 1 38 LEU HD22 H -16.344 -6.673 1.910 1.00 . A A . 38 LEU HD22 1 1 17 11523 1 1 38 LEU HD23 H -15.514 -5.423 0.991 1.00 . A A . 38 LEU HD23 1 1 17 11524 1 1 38 LEU HG H -17.749 -4.405 2.592 1.00 . A A . 38 LEU HG 1 1 17 11525 1 1 38 LEU N N -14.564 -3.892 4.898 1.00 . A A . 38 LEU N 1 1 17 11526 1 1 38 LEU O O -13.075 -4.899 2.891 1.00 . A A . 38 LEU O 1 1 17 11527 1 1 39 PHE C C -12.834 -6.047 0.662 1.00 . A A . 39 PHE C 1 1 17 11528 1 1 39 PHE CA C -13.378 -7.224 1.484 1.00 . A A . 39 PHE CA 1 1 17 11529 1 1 39 PHE CB C -14.220 -8.112 0.563 1.00 . A A . 39 PHE CB 1 1 17 11530 1 1 39 PHE CD1 C -14.024 -10.181 1.994 1.00 . A A . 39 PHE CD1 1 1 17 11531 1 1 39 PHE CD2 C -16.235 -9.341 1.458 1.00 . A A . 39 PHE CD2 1 1 17 11532 1 1 39 PHE CE1 C -14.602 -11.223 2.729 1.00 . A A . 39 PHE CE1 1 1 17 11533 1 1 39 PHE CE2 C -16.811 -10.382 2.192 1.00 . A A . 39 PHE CE2 1 1 17 11534 1 1 39 PHE CG C -14.840 -9.237 1.358 1.00 . A A . 39 PHE CG 1 1 17 11535 1 1 39 PHE CZ C -15.993 -11.325 2.829 1.00 . A A . 39 PHE CZ 1 1 17 11536 1 1 39 PHE H H -14.969 -7.317 2.934 1.00 . A A . 39 PHE H 1 1 17 11537 1 1 39 PHE HA H -12.551 -7.799 1.870 1.00 . A A . 39 PHE HA 1 1 17 11538 1 1 39 PHE HB2 H -15.001 -7.518 0.109 1.00 . A A . 39 PHE HB2 1 1 17 11539 1 1 39 PHE HB3 H -13.590 -8.525 -0.211 1.00 . A A . 39 PHE HB3 1 1 17 11540 1 1 39 PHE HD1 H -12.950 -10.103 1.919 1.00 . A A . 39 PHE HD1 1 1 17 11541 1 1 39 PHE HD2 H -16.867 -8.617 0.965 1.00 . A A . 39 PHE HD2 1 1 17 11542 1 1 39 PHE HE1 H -13.972 -11.950 3.219 1.00 . A A . 39 PHE HE1 1 1 17 11543 1 1 39 PHE HE2 H -17.886 -10.460 2.269 1.00 . A A . 39 PHE HE2 1 1 17 11544 1 1 39 PHE HZ H -16.439 -12.129 3.395 1.00 . A A . 39 PHE HZ 1 1 17 11545 1 1 39 PHE N N -14.234 -6.752 2.621 1.00 . A A . 39 PHE N 1 1 17 11546 1 1 39 PHE O O -13.573 -5.270 0.095 1.00 . A A . 39 PHE O 1 1 17 11547 1 1 40 THR C C -10.909 -5.231 -1.700 1.00 . A A . 40 THR C 1 1 17 11548 1 1 40 THR CA C -10.925 -4.831 -0.223 1.00 . A A . 40 THR CA 1 1 17 11549 1 1 40 THR CB C -9.493 -4.580 0.258 1.00 . A A . 40 THR CB 1 1 17 11550 1 1 40 THR CG2 C -9.495 -3.496 1.336 1.00 . A A . 40 THR CG2 1 1 17 11551 1 1 40 THR H H -10.958 -6.582 1.030 1.00 . A A . 40 THR H 1 1 17 11552 1 1 40 THR HA H -11.511 -3.932 -0.101 1.00 . A A . 40 THR HA 1 1 17 11553 1 1 40 THR HB H -8.880 -4.254 -0.570 1.00 . A A . 40 THR HB 1 1 17 11554 1 1 40 THR HG1 H -9.144 -5.793 1.730 1.00 . A A . 40 THR HG1 1 1 17 11555 1 1 40 THR HG21 H -9.636 -2.530 0.873 1.00 . A A . 40 THR HG21 1 1 17 11556 1 1 40 THR HG22 H -8.555 -3.506 1.864 1.00 . A A . 40 THR HG22 1 1 17 11557 1 1 40 THR HG23 H -10.300 -3.684 2.030 1.00 . A A . 40 THR HG23 1 1 17 11558 1 1 40 THR N N -11.536 -5.932 0.578 1.00 . A A . 40 THR N 1 1 17 11559 1 1 40 THR O O -9.997 -4.901 -2.432 1.00 . A A . 40 THR O 1 1 17 11560 1 1 40 THR OG1 O -8.965 -5.783 0.789 1.00 . A A . 40 THR OG1 1 1 17 11561 1 1 41 GLY C C -10.899 -7.490 -3.776 1.00 . A A . 41 GLY C 1 1 17 11562 1 1 41 GLY CA C -11.927 -6.377 -3.569 1.00 . A A . 41 GLY CA 1 1 17 11563 1 1 41 GLY H H -12.622 -6.214 -1.535 1.00 . A A . 41 GLY H 1 1 17 11564 1 1 41 GLY HA2 H -12.914 -6.740 -3.820 1.00 . A A . 41 GLY HA2 1 1 17 11565 1 1 41 GLY HA3 H -11.677 -5.540 -4.203 1.00 . A A . 41 GLY HA3 1 1 17 11566 1 1 41 GLY N N -11.900 -5.949 -2.143 1.00 . A A . 41 GLY N 1 1 17 11567 1 1 41 GLY O O -10.810 -8.414 -2.992 1.00 . A A . 41 GLY O 1 1 17 11568 1 1 42 GLU C C -7.790 -7.833 -5.521 1.00 . A A . 42 GLU C 1 1 17 11569 1 1 42 GLU CA C -9.103 -8.476 -5.072 1.00 . A A . 42 GLU CA 1 1 17 11570 1 1 42 GLU CB C -9.612 -9.418 -6.160 1.00 . A A . 42 GLU CB 1 1 17 11571 1 1 42 GLU CD C -8.883 -11.506 -4.993 1.00 . A A . 42 GLU CD 1 1 17 11572 1 1 42 GLU CG C -8.705 -10.648 -6.249 1.00 . A A . 42 GLU CG 1 1 17 11573 1 1 42 GLU H H -10.206 -6.663 -5.446 1.00 . A A . 42 GLU H 1 1 17 11574 1 1 42 GLU HA H -8.929 -9.036 -4.165 1.00 . A A . 42 GLU HA 1 1 17 11575 1 1 42 GLU HB2 H -10.618 -9.727 -5.924 1.00 . A A . 42 GLU HB2 1 1 17 11576 1 1 42 GLU HB3 H -9.609 -8.903 -7.110 1.00 . A A . 42 GLU HB3 1 1 17 11577 1 1 42 GLU HG2 H -8.974 -11.228 -7.122 1.00 . A A . 42 GLU HG2 1 1 17 11578 1 1 42 GLU HG3 H -7.677 -10.338 -6.327 1.00 . A A . 42 GLU HG3 1 1 17 11579 1 1 42 GLU N N -10.120 -7.414 -4.823 1.00 . A A . 42 GLU N 1 1 17 11580 1 1 42 GLU O O -7.770 -6.745 -6.063 1.00 . A A . 42 GLU O 1 1 17 11581 1 1 42 GLU OE1 O -9.770 -11.201 -4.212 1.00 . A A . 42 GLU OE1 1 1 17 11582 1 1 42 GLU OE2 O -8.136 -12.456 -4.837 1.00 . A A . 42 GLU OE2 1 1 17 11583 1 1 43 CYS C C -4.968 -8.499 -7.050 1.00 . A A . 43 CYS C 1 1 17 11584 1 1 43 CYS CA C -5.373 -7.942 -5.683 1.00 . A A . 43 CYS CA 1 1 17 11585 1 1 43 CYS CB C -4.349 -8.360 -4.633 1.00 . A A . 43 CYS CB 1 1 17 11586 1 1 43 CYS H H -6.741 -9.370 -4.845 1.00 . A A . 43 CYS H 1 1 17 11587 1 1 43 CYS HXT H -4.914 -10.145 -6.230 1.00 . A A . 43 CYS HXT 1 1 17 11588 1 1 43 CYS HA H -5.425 -6.863 -5.729 1.00 . A A . 43 CYS HA 1 1 17 11589 1 1 43 CYS HB2 H -3.358 -8.097 -4.957 1.00 . A A . 43 CYS HB2 1 1 17 11590 1 1 43 CYS HB3 H -4.562 -7.853 -3.719 1.00 . A A . 43 CYS HB3 1 1 17 11591 1 1 43 CYS N N -6.694 -8.498 -5.289 1.00 . A A . 43 CYS N 1 1 17 11592 1 1 43 CYS O O -4.811 -7.710 -7.966 1.00 . A A . 43 CYS O 1 1 17 11593 1 1 43 CYS OXT O -4.826 -9.705 -7.157 1.00 . A A . 43 CYS OXT 1 1 17 11594 1 1 43 CYS SG S -4.475 -10.151 -4.379 1.00 . A A . 43 CYS SG 1 1 18 11595 1 1 1 CYS C C 3.702 -8.454 0.052 1.00 . A A . 1 CYS C 1 1 18 11596 1 1 1 CYS CA C 3.531 -9.063 -1.348 1.00 . A A . 1 CYS CA 1 1 18 11597 1 1 1 CYS CB C 2.055 -8.995 -1.751 1.00 . A A . 1 CYS CB 1 1 18 11598 1 1 1 CYS H1 H 4.964 -10.538 -1.056 1.00 . A A . 1 CYS H1 1 1 18 11599 1 1 1 CYS H2 H 3.404 -11.014 -0.646 1.00 . A A . 1 CYS H2 1 1 18 11600 1 1 1 CYS H3 H 3.850 -10.901 -2.263 1.00 . A A . 1 CYS H3 1 1 18 11601 1 1 1 CYS HA H 4.126 -8.510 -2.059 1.00 . A A . 1 CYS HA 1 1 18 11602 1 1 1 CYS HB2 H 1.646 -8.061 -1.420 1.00 . A A . 1 CYS HB2 1 1 18 11603 1 1 1 CYS HB3 H 1.959 -9.069 -2.824 1.00 . A A . 1 CYS HB3 1 1 18 11604 1 1 1 CYS N N 3.971 -10.489 -1.327 1.00 . A A . 1 CYS N 1 1 18 11605 1 1 1 CYS O O 3.675 -9.152 1.045 1.00 . A A . 1 CYS O 1 1 18 11606 1 1 1 CYS SG S 1.152 -10.357 -0.977 1.00 . A A . 1 CYS SG 1 1 18 11607 1 1 2 GLY C C 2.696 -6.488 2.214 1.00 . A A . 2 GLY C 1 1 18 11608 1 1 2 GLY CA C 4.044 -6.523 1.484 1.00 . A A . 2 GLY CA 1 1 18 11609 1 1 2 GLY H H 3.900 -6.603 -0.670 1.00 . A A . 2 GLY H 1 1 18 11610 1 1 2 GLY HA2 H 4.756 -7.093 2.065 1.00 . A A . 2 GLY HA2 1 1 18 11611 1 1 2 GLY HA3 H 4.406 -5.515 1.359 1.00 . A A . 2 GLY HA3 1 1 18 11612 1 1 2 GLY N N 3.877 -7.159 0.143 1.00 . A A . 2 GLY N 1 1 18 11613 1 1 2 GLY O O 1.651 -6.408 1.602 1.00 . A A . 2 GLY O 1 1 18 11614 1 1 3 SER C C 1.272 -5.137 4.958 1.00 . A A . 3 SER C 1 1 18 11615 1 1 3 SER CA C 1.442 -6.515 4.308 1.00 . A A . 3 SER CA 1 1 18 11616 1 1 3 SER CB C 1.490 -7.589 5.395 1.00 . A A . 3 SER CB 1 1 18 11617 1 1 3 SER H H 3.574 -6.606 3.993 1.00 . A A . 3 SER H 1 1 18 11618 1 1 3 SER HA H 0.605 -6.705 3.651 1.00 . A A . 3 SER HA 1 1 18 11619 1 1 3 SER HB2 H 2.321 -7.401 6.055 1.00 . A A . 3 SER HB2 1 1 18 11620 1 1 3 SER HB3 H 0.571 -7.567 5.963 1.00 . A A . 3 SER HB3 1 1 18 11621 1 1 3 SER HG H 2.509 -8.875 4.346 1.00 . A A . 3 SER HG 1 1 18 11622 1 1 3 SER N N 2.717 -6.544 3.524 1.00 . A A . 3 SER N 1 1 18 11623 1 1 3 SER O O 2.000 -4.213 4.665 1.00 . A A . 3 SER O 1 1 18 11624 1 1 3 SER OG O 1.655 -8.863 4.787 1.00 . A A . 3 SER OG 1 1 18 11625 1 1 4 LYS C C 1.434 -3.006 6.791 1.00 . A A . 4 LYS C 1 1 18 11626 1 1 4 LYS CA C 0.094 -3.673 6.511 1.00 . A A . 4 LYS CA 1 1 18 11627 1 1 4 LYS CB C -0.612 -3.882 7.860 1.00 . A A . 4 LYS CB 1 1 18 11628 1 1 4 LYS CD C -0.419 -2.793 10.136 1.00 . A A . 4 LYS CD 1 1 18 11629 1 1 4 LYS CE C -1.721 -3.197 10.839 1.00 . A A . 4 LYS CE 1 1 18 11630 1 1 4 LYS CG C -0.677 -2.547 8.638 1.00 . A A . 4 LYS CG 1 1 18 11631 1 1 4 LYS H H -0.266 -5.753 6.061 1.00 . A A . 4 LYS H 1 1 18 11632 1 1 4 LYS HA H -0.508 -3.035 5.881 1.00 . A A . 4 LYS HA 1 1 18 11633 1 1 4 LYS HB2 H -1.613 -4.249 7.687 1.00 . A A . 4 LYS HB2 1 1 18 11634 1 1 4 LYS HB3 H -0.061 -4.610 8.435 1.00 . A A . 4 LYS HB3 1 1 18 11635 1 1 4 LYS HD2 H 0.311 -3.581 10.257 1.00 . A A . 4 LYS HD2 1 1 18 11636 1 1 4 LYS HD3 H -0.039 -1.888 10.584 1.00 . A A . 4 LYS HD3 1 1 18 11637 1 1 4 LYS HE2 H -2.152 -2.330 11.322 1.00 . A A . 4 LYS HE2 1 1 18 11638 1 1 4 LYS HE3 H -2.420 -3.590 10.117 1.00 . A A . 4 LYS HE3 1 1 18 11639 1 1 4 LYS HG2 H 0.067 -1.862 8.261 1.00 . A A . 4 LYS HG2 1 1 18 11640 1 1 4 LYS HG3 H -1.656 -2.110 8.516 1.00 . A A . 4 LYS HG3 1 1 18 11641 1 1 4 LYS HZ1 H -0.694 -4.880 11.501 1.00 . A A . 4 LYS HZ1 1 1 18 11642 1 1 4 LYS HZ2 H -2.288 -4.777 12.070 1.00 . A A . 4 LYS HZ2 1 1 18 11643 1 1 4 LYS HZ3 H -1.084 -3.780 12.736 1.00 . A A . 4 LYS HZ3 1 1 18 11644 1 1 4 LYS N N 0.312 -4.993 5.841 1.00 . A A . 4 LYS N 1 1 18 11645 1 1 4 LYS NZ N -1.425 -4.236 11.864 1.00 . A A . 4 LYS NZ 1 1 18 11646 1 1 4 LYS O O 2.266 -3.546 7.494 1.00 . A A . 4 LYS O 1 1 18 11647 1 1 5 ARG C C 4.055 -2.134 6.290 1.00 . A A . 5 ARG C 1 1 18 11648 1 1 5 ARG CA C 2.928 -1.144 6.557 1.00 . A A . 5 ARG CA 1 1 18 11649 1 1 5 ARG CB C 2.921 -0.704 8.022 1.00 . A A . 5 ARG CB 1 1 18 11650 1 1 5 ARG CD C 3.889 0.830 9.718 1.00 . A A . 5 ARG CD 1 1 18 11651 1 1 5 ARG CG C 4.021 0.324 8.277 1.00 . A A . 5 ARG CG 1 1 18 11652 1 1 5 ARG CZ C 3.334 -0.379 11.756 1.00 . A A . 5 ARG CZ 1 1 18 11653 1 1 5 ARG H H 0.969 -1.396 5.724 1.00 . A A . 5 ARG H 1 1 18 11654 1 1 5 ARG HA H 3.037 -0.282 5.917 1.00 . A A . 5 ARG HA 1 1 18 11655 1 1 5 ARG HB2 H 1.962 -0.267 8.256 1.00 . A A . 5 ARG HB2 1 1 18 11656 1 1 5 ARG HB3 H 3.084 -1.564 8.653 1.00 . A A . 5 ARG HB3 1 1 18 11657 1 1 5 ARG HD2 H 4.658 1.562 9.914 1.00 . A A . 5 ARG HD2 1 1 18 11658 1 1 5 ARG HD3 H 2.917 1.282 9.849 1.00 . A A . 5 ARG HD3 1 1 18 11659 1 1 5 ARG HE H 4.667 -1.043 10.444 1.00 . A A . 5 ARG HE 1 1 18 11660 1 1 5 ARG HG2 H 4.990 -0.135 8.137 1.00 . A A . 5 ARG HG2 1 1 18 11661 1 1 5 ARG HG3 H 3.909 1.153 7.595 1.00 . A A . 5 ARG HG3 1 1 18 11662 1 1 5 ARG HH11 H 2.391 1.363 11.445 1.00 . A A . 5 ARG HH11 1 1 18 11663 1 1 5 ARG HH12 H 1.957 0.527 12.897 1.00 . A A . 5 ARG HH12 1 1 18 11664 1 1 5 ARG HH21 H 4.104 -2.133 12.333 1.00 . A A . 5 ARG HH21 1 1 18 11665 1 1 5 ARG HH22 H 2.925 -1.446 13.398 1.00 . A A . 5 ARG HH22 1 1 18 11666 1 1 5 ARG N N 1.647 -1.828 6.278 1.00 . A A . 5 ARG N 1 1 18 11667 1 1 5 ARG NE N 4.040 -0.322 10.656 1.00 . A A . 5 ARG NE 1 1 18 11668 1 1 5 ARG NH1 N 2.495 0.579 12.056 1.00 . A A . 5 ARG NH1 1 1 18 11669 1 1 5 ARG NH2 N 3.463 -1.399 12.559 1.00 . A A . 5 ARG NH2 1 1 18 11670 1 1 5 ARG O O 4.511 -2.836 7.173 1.00 . A A . 5 ARG O 1 1 18 11671 1 1 6 ALA C C 5.989 -2.949 3.257 1.00 . A A . 6 ALA C 1 1 18 11672 1 1 6 ALA CA C 5.555 -3.178 4.706 1.00 . A A . 6 ALA CA 1 1 18 11673 1 1 6 ALA CB C 5.021 -4.609 4.853 1.00 . A A . 6 ALA CB 1 1 18 11674 1 1 6 ALA H H 4.067 -1.649 4.374 1.00 . A A . 6 ALA H 1 1 18 11675 1 1 6 ALA HA H 6.402 -3.040 5.362 1.00 . A A . 6 ALA HA 1 1 18 11676 1 1 6 ALA HB1 H 4.468 -4.695 5.777 1.00 . A A . 6 ALA HB1 1 1 18 11677 1 1 6 ALA HB2 H 5.848 -5.303 4.865 1.00 . A A . 6 ALA HB2 1 1 18 11678 1 1 6 ALA HB3 H 4.371 -4.840 4.022 1.00 . A A . 6 ALA HB3 1 1 18 11679 1 1 6 ALA N N 4.481 -2.212 5.066 1.00 . A A . 6 ALA N 1 1 18 11680 1 1 6 ALA O O 5.196 -2.970 2.337 1.00 . A A . 6 ALA O 1 1 18 11681 1 1 7 TRP C C 7.002 -3.073 0.594 1.00 . A A . 7 TRP C 1 1 18 11682 1 1 7 TRP CA C 7.854 -2.464 1.724 1.00 . A A . 7 TRP CA 1 1 18 11683 1 1 7 TRP CB C 9.256 -3.076 1.708 1.00 . A A . 7 TRP CB 1 1 18 11684 1 1 7 TRP CD1 C 10.213 -2.231 -0.472 1.00 . A A . 7 TRP CD1 1 1 18 11685 1 1 7 TRP CD2 C 9.778 -4.434 -0.500 1.00 . A A . 7 TRP CD2 1 1 18 11686 1 1 7 TRP CE2 C 10.299 -4.110 -1.773 1.00 . A A . 7 TRP CE2 1 1 18 11687 1 1 7 TRP CE3 C 9.419 -5.769 -0.248 1.00 . A A . 7 TRP CE3 1 1 18 11688 1 1 7 TRP CG C 9.732 -3.227 0.304 1.00 . A A . 7 TRP CG 1 1 18 11689 1 1 7 TRP CH2 C 10.096 -6.403 -2.496 1.00 . A A . 7 TRP CH2 1 1 18 11690 1 1 7 TRP CZ2 C 10.459 -5.078 -2.765 1.00 . A A . 7 TRP CZ2 1 1 18 11691 1 1 7 TRP CZ3 C 9.578 -6.746 -1.239 1.00 . A A . 7 TRP CZ3 1 1 18 11692 1 1 7 TRP H H 7.859 -2.708 3.858 1.00 . A A . 7 TRP H 1 1 18 11693 1 1 7 TRP HA H 7.939 -1.402 1.568 1.00 . A A . 7 TRP HA 1 1 18 11694 1 1 7 TRP HB2 H 9.933 -2.431 2.246 1.00 . A A . 7 TRP HB2 1 1 18 11695 1 1 7 TRP HB3 H 9.230 -4.045 2.184 1.00 . A A . 7 TRP HB3 1 1 18 11696 1 1 7 TRP HD1 H 10.316 -1.199 -0.175 1.00 . A A . 7 TRP HD1 1 1 18 11697 1 1 7 TRP HE1 H 10.923 -2.241 -2.452 1.00 . A A . 7 TRP HE1 1 1 18 11698 1 1 7 TRP HE3 H 9.018 -6.044 0.718 1.00 . A A . 7 TRP HE3 1 1 18 11699 1 1 7 TRP HH2 H 10.215 -7.158 -3.254 1.00 . A A . 7 TRP HH2 1 1 18 11700 1 1 7 TRP HZ2 H 10.856 -4.809 -3.735 1.00 . A A . 7 TRP HZ2 1 1 18 11701 1 1 7 TRP HZ3 H 9.300 -7.769 -1.032 1.00 . A A . 7 TRP HZ3 1 1 18 11702 1 1 7 TRP N N 7.266 -2.720 3.077 1.00 . A A . 7 TRP N 1 1 18 11703 1 1 7 TRP NE1 N 10.551 -2.753 -1.706 1.00 . A A . 7 TRP NE1 1 1 18 11704 1 1 7 TRP O O 6.450 -4.147 0.727 1.00 . A A . 7 TRP O 1 1 18 11705 1 1 8 CYS C C 6.917 -2.833 -2.978 1.00 . A A . 8 CYS C 1 1 18 11706 1 1 8 CYS CA C 6.105 -2.913 -1.679 1.00 . A A . 8 CYS CA 1 1 18 11707 1 1 8 CYS CB C 4.835 -2.079 -1.879 1.00 . A A . 8 CYS CB 1 1 18 11708 1 1 8 CYS H H 7.366 -1.519 -0.601 1.00 . A A . 8 CYS H 1 1 18 11709 1 1 8 CYS HA H 5.823 -3.946 -1.492 1.00 . A A . 8 CYS HA 1 1 18 11710 1 1 8 CYS HB2 H 4.570 -2.079 -2.926 1.00 . A A . 8 CYS HB2 1 1 18 11711 1 1 8 CYS HB3 H 4.041 -2.517 -1.318 1.00 . A A . 8 CYS HB3 1 1 18 11712 1 1 8 CYS N N 6.905 -2.384 -0.523 1.00 . A A . 8 CYS N 1 1 18 11713 1 1 8 CYS O O 7.811 -2.023 -3.124 1.00 . A A . 8 CYS O 1 1 18 11714 1 1 8 CYS SG S 5.083 -0.373 -1.334 1.00 . A A . 8 CYS SG 1 1 18 11715 1 1 9 LYS C C 6.506 -2.579 -6.121 1.00 . A A . 9 LYS C 1 1 18 11716 1 1 9 LYS CA C 7.248 -3.610 -5.250 1.00 . A A . 9 LYS CA 1 1 18 11717 1 1 9 LYS CB C 7.127 -4.990 -5.909 1.00 . A A . 9 LYS CB 1 1 18 11718 1 1 9 LYS CD C 8.127 -7.241 -6.261 1.00 . A A . 9 LYS CD 1 1 18 11719 1 1 9 LYS CE C 9.304 -8.168 -5.953 1.00 . A A . 9 LYS CE 1 1 18 11720 1 1 9 LYS CG C 8.364 -5.855 -5.646 1.00 . A A . 9 LYS CG 1 1 18 11721 1 1 9 LYS H H 5.817 -4.262 -3.808 1.00 . A A . 9 LYS H 1 1 18 11722 1 1 9 LYS HA H 8.286 -3.335 -5.133 1.00 . A A . 9 LYS HA 1 1 18 11723 1 1 9 LYS HB2 H 6.264 -5.492 -5.511 1.00 . A A . 9 LYS HB2 1 1 18 11724 1 1 9 LYS HB3 H 7.001 -4.863 -6.965 1.00 . A A . 9 LYS HB3 1 1 18 11725 1 1 9 LYS HD2 H 7.223 -7.664 -5.847 1.00 . A A . 9 LYS HD2 1 1 18 11726 1 1 9 LYS HD3 H 8.019 -7.142 -7.332 1.00 . A A . 9 LYS HD3 1 1 18 11727 1 1 9 LYS HE2 H 9.291 -8.437 -4.909 1.00 . A A . 9 LYS HE2 1 1 18 11728 1 1 9 LYS HE3 H 9.221 -9.062 -6.556 1.00 . A A . 9 LYS HE3 1 1 18 11729 1 1 9 LYS HG2 H 9.235 -5.398 -6.097 1.00 . A A . 9 LYS HG2 1 1 18 11730 1 1 9 LYS HG3 H 8.515 -5.958 -4.582 1.00 . A A . 9 LYS HG3 1 1 18 11731 1 1 9 LYS HZ1 H 11.281 -8.169 -6.606 1.00 . A A . 9 LYS HZ1 1 1 18 11732 1 1 9 LYS HZ2 H 10.941 -6.998 -5.427 1.00 . A A . 9 LYS HZ2 1 1 18 11733 1 1 9 LYS HZ3 H 10.412 -6.770 -7.025 1.00 . A A . 9 LYS HZ3 1 1 18 11734 1 1 9 LYS N N 6.564 -3.646 -3.938 1.00 . A A . 9 LYS N 1 1 18 11735 1 1 9 LYS NZ N 10.582 -7.473 -6.278 1.00 . A A . 9 LYS NZ 1 1 18 11736 1 1 9 LYS O O 7.101 -1.803 -6.841 1.00 . A A . 9 LYS O 1 1 18 11737 1 1 10 GLU C C 2.954 -1.542 -6.141 1.00 . A A . 10 GLU C 1 1 18 11738 1 1 10 GLU CA C 4.330 -1.645 -6.817 1.00 . A A . 10 GLU CA 1 1 18 11739 1 1 10 GLU CB C 4.122 -2.158 -8.250 1.00 . A A . 10 GLU CB 1 1 18 11740 1 1 10 GLU CD C 5.352 -0.242 -9.276 1.00 . A A . 10 GLU CD 1 1 18 11741 1 1 10 GLU CG C 5.301 -1.768 -9.144 1.00 . A A . 10 GLU CG 1 1 18 11742 1 1 10 GLU H H 4.770 -3.227 -5.426 1.00 . A A . 10 GLU H 1 1 18 11743 1 1 10 GLU HA H 4.790 -0.669 -6.843 1.00 . A A . 10 GLU HA 1 1 18 11744 1 1 10 GLU HB2 H 4.029 -3.229 -8.229 1.00 . A A . 10 GLU HB2 1 1 18 11745 1 1 10 GLU HB3 H 3.215 -1.732 -8.654 1.00 . A A . 10 GLU HB3 1 1 18 11746 1 1 10 GLU HG2 H 6.221 -2.129 -8.717 1.00 . A A . 10 GLU HG2 1 1 18 11747 1 1 10 GLU HG3 H 5.165 -2.202 -10.123 1.00 . A A . 10 GLU HG3 1 1 18 11748 1 1 10 GLU N N 5.196 -2.589 -6.032 1.00 . A A . 10 GLU N 1 1 18 11749 1 1 10 GLU O O 2.730 -2.073 -5.071 1.00 . A A . 10 GLU O 1 1 18 11750 1 1 10 GLU OE1 O 4.346 0.331 -9.661 1.00 . A A . 10 GLU OE1 1 1 18 11751 1 1 10 GLU OE2 O 6.391 0.327 -8.985 1.00 . A A . 10 GLU OE2 1 1 18 11752 1 1 11 LYS C C -0.057 -2.064 -6.187 1.00 . A A . 11 LYS C 1 1 18 11753 1 1 11 LYS CA C 0.662 -0.710 -6.183 1.00 . A A . 11 LYS CA 1 1 18 11754 1 1 11 LYS CB C -0.151 0.282 -7.026 1.00 . A A . 11 LYS CB 1 1 18 11755 1 1 11 LYS CD C -2.255 1.642 -7.118 1.00 . A A . 11 LYS CD 1 1 18 11756 1 1 11 LYS CE C -3.386 2.227 -6.259 1.00 . A A . 11 LYS CE 1 1 18 11757 1 1 11 LYS CG C -1.463 0.612 -6.306 1.00 . A A . 11 LYS CG 1 1 18 11758 1 1 11 LYS H H 2.238 -0.443 -7.633 1.00 . A A . 11 LYS H 1 1 18 11759 1 1 11 LYS HA H 0.740 -0.343 -5.171 1.00 . A A . 11 LYS HA 1 1 18 11760 1 1 11 LYS HB2 H 0.421 1.186 -7.170 1.00 . A A . 11 LYS HB2 1 1 18 11761 1 1 11 LYS HB3 H -0.373 -0.161 -7.987 1.00 . A A . 11 LYS HB3 1 1 18 11762 1 1 11 LYS HD2 H -1.594 2.436 -7.433 1.00 . A A . 11 LYS HD2 1 1 18 11763 1 1 11 LYS HD3 H -2.680 1.162 -7.986 1.00 . A A . 11 LYS HD3 1 1 18 11764 1 1 11 LYS HE2 H -3.021 2.411 -5.258 1.00 . A A . 11 LYS HE2 1 1 18 11765 1 1 11 LYS HE3 H -3.715 3.159 -6.694 1.00 . A A . 11 LYS HE3 1 1 18 11766 1 1 11 LYS HG2 H -2.049 -0.289 -6.195 1.00 . A A . 11 LYS HG2 1 1 18 11767 1 1 11 LYS HG3 H -1.240 1.016 -5.335 1.00 . A A . 11 LYS HG3 1 1 18 11768 1 1 11 LYS HZ1 H -5.194 1.486 -6.974 1.00 . A A . 11 LYS HZ1 1 1 18 11769 1 1 11 LYS HZ2 H -5.021 1.379 -5.289 1.00 . A A . 11 LYS HZ2 1 1 18 11770 1 1 11 LYS HZ3 H -4.179 0.302 -6.298 1.00 . A A . 11 LYS HZ3 1 1 18 11771 1 1 11 LYS N N 2.030 -0.856 -6.769 1.00 . A A . 11 LYS N 1 1 18 11772 1 1 11 LYS NZ N -4.531 1.275 -6.202 1.00 . A A . 11 LYS NZ 1 1 18 11773 1 1 11 LYS O O -0.681 -2.456 -5.223 1.00 . A A . 11 LYS O 1 1 18 11774 1 1 12 LYS C C 0.142 -5.169 -6.698 1.00 . A A . 12 LYS C 1 1 18 11775 1 1 12 LYS CA C -0.678 -4.085 -7.402 1.00 . A A . 12 LYS CA 1 1 18 11776 1 1 12 LYS CB C -0.830 -4.417 -8.903 1.00 . A A . 12 LYS CB 1 1 18 11777 1 1 12 LYS CD C -0.394 -6.100 -10.721 1.00 . A A . 12 LYS CD 1 1 18 11778 1 1 12 LYS CE C 0.842 -5.511 -11.410 1.00 . A A . 12 LYS CE 1 1 18 11779 1 1 12 LYS CG C -0.322 -5.837 -9.212 1.00 . A A . 12 LYS CG 1 1 18 11780 1 1 12 LYS H H 0.509 -2.411 -8.055 1.00 . A A . 12 LYS H 1 1 18 11781 1 1 12 LYS HA H -1.655 -4.021 -6.947 1.00 . A A . 12 LYS HA 1 1 18 11782 1 1 12 LYS HB2 H -1.874 -4.349 -9.177 1.00 . A A . 12 LYS HB2 1 1 18 11783 1 1 12 LYS HB3 H -0.267 -3.701 -9.481 1.00 . A A . 12 LYS HB3 1 1 18 11784 1 1 12 LYS HD2 H -0.429 -7.167 -10.896 1.00 . A A . 12 LYS HD2 1 1 18 11785 1 1 12 LYS HD3 H -1.283 -5.641 -11.126 1.00 . A A . 12 LYS HD3 1 1 18 11786 1 1 12 LYS HE2 H 1.016 -4.509 -11.049 1.00 . A A . 12 LYS HE2 1 1 18 11787 1 1 12 LYS HE3 H 1.702 -6.125 -11.190 1.00 . A A . 12 LYS HE3 1 1 18 11788 1 1 12 LYS HG2 H 0.703 -5.933 -8.886 1.00 . A A . 12 LYS HG2 1 1 18 11789 1 1 12 LYS HG3 H -0.935 -6.558 -8.694 1.00 . A A . 12 LYS HG3 1 1 18 11790 1 1 12 LYS HZ1 H -0.387 -5.319 -13.081 1.00 . A A . 12 LYS HZ1 1 1 18 11791 1 1 12 LYS HZ2 H 0.919 -6.380 -13.301 1.00 . A A . 12 LYS HZ2 1 1 18 11792 1 1 12 LYS HZ3 H 1.181 -4.701 -13.297 1.00 . A A . 12 LYS HZ3 1 1 18 11793 1 1 12 LYS N N 0.011 -2.764 -7.287 1.00 . A A . 12 LYS N 1 1 18 11794 1 1 12 LYS NZ N 0.622 -5.476 -12.884 1.00 . A A . 12 LYS NZ 1 1 18 11795 1 1 12 LYS O O -0.318 -6.274 -6.492 1.00 . A A . 12 LYS O 1 1 18 11796 1 1 13 ASP C C 2.005 -5.925 -4.192 1.00 . A A . 13 ASP C 1 1 18 11797 1 1 13 ASP CA C 2.221 -5.890 -5.710 1.00 . A A . 13 ASP CA 1 1 18 11798 1 1 13 ASP CB C 3.665 -5.531 -6.015 1.00 . A A . 13 ASP CB 1 1 18 11799 1 1 13 ASP CG C 4.086 -6.131 -7.361 1.00 . A A . 13 ASP CG 1 1 18 11800 1 1 13 ASP H H 1.729 -3.993 -6.552 1.00 . A A . 13 ASP H 1 1 18 11801 1 1 13 ASP HA H 2.001 -6.863 -6.122 1.00 . A A . 13 ASP HA 1 1 18 11802 1 1 13 ASP HB2 H 3.755 -4.460 -6.060 1.00 . A A . 13 ASP HB2 1 1 18 11803 1 1 13 ASP HB3 H 4.292 -5.908 -5.238 1.00 . A A . 13 ASP HB3 1 1 18 11804 1 1 13 ASP N N 1.360 -4.877 -6.358 1.00 . A A . 13 ASP N 1 1 18 11805 1 1 13 ASP O O 2.658 -6.676 -3.495 1.00 . A A . 13 ASP O 1 1 18 11806 1 1 13 ASP OD1 O 3.652 -7.233 -7.661 1.00 . A A . 13 ASP OD1 1 1 18 11807 1 1 13 ASP OD2 O 4.827 -5.475 -8.073 1.00 . A A . 13 ASP OD2 1 1 18 11808 1 1 14 CYS C C -0.103 -6.310 -1.884 1.00 . A A . 14 CYS C 1 1 18 11809 1 1 14 CYS CA C 0.881 -5.183 -2.195 1.00 . A A . 14 CYS CA 1 1 18 11810 1 1 14 CYS CB C 0.287 -3.854 -1.734 1.00 . A A . 14 CYS CB 1 1 18 11811 1 1 14 CYS H H 0.566 -4.542 -4.211 1.00 . A A . 14 CYS H 1 1 18 11812 1 1 14 CYS HA H 1.816 -5.362 -1.686 1.00 . A A . 14 CYS HA 1 1 18 11813 1 1 14 CYS HB2 H -0.339 -3.455 -2.520 1.00 . A A . 14 CYS HB2 1 1 18 11814 1 1 14 CYS HB3 H -0.306 -4.017 -0.864 1.00 . A A . 14 CYS HB3 1 1 18 11815 1 1 14 CYS N N 1.101 -5.145 -3.659 1.00 . A A . 14 CYS N 1 1 18 11816 1 1 14 CYS O O -1.023 -6.570 -2.634 1.00 . A A . 14 CYS O 1 1 18 11817 1 1 14 CYS SG S 1.604 -2.663 -1.366 1.00 . A A . 14 CYS SG 1 1 18 11818 1 1 15 CYS C C -2.240 -7.582 -0.428 1.00 . A A . 15 CYS C 1 1 18 11819 1 1 15 CYS CA C -0.810 -8.100 -0.436 1.00 . A A . 15 CYS CA 1 1 18 11820 1 1 15 CYS CB C -0.448 -8.590 0.966 1.00 . A A . 15 CYS CB 1 1 18 11821 1 1 15 CYS H H 0.836 -6.779 -0.195 1.00 . A A . 15 CYS H 1 1 18 11822 1 1 15 CYS HA H -0.716 -8.902 -1.148 1.00 . A A . 15 CYS HA 1 1 18 11823 1 1 15 CYS HB2 H -0.170 -7.743 1.567 1.00 . A A . 15 CYS HB2 1 1 18 11824 1 1 15 CYS HB3 H -1.302 -9.056 1.401 1.00 . A A . 15 CYS HB3 1 1 18 11825 1 1 15 CYS N N 0.092 -6.991 -0.788 1.00 . A A . 15 CYS N 1 1 18 11826 1 1 15 CYS O O -2.513 -6.499 0.049 1.00 . A A . 15 CYS O 1 1 18 11827 1 1 15 CYS SG S 0.940 -9.765 0.941 1.00 . A A . 15 CYS SG 1 1 18 11828 1 1 16 CYS C C -4.853 -7.090 0.323 1.00 . A A . 16 CYS C 1 1 18 11829 1 1 16 CYS CA C -4.583 -7.910 -0.949 1.00 . A A . 16 CYS CA 1 1 18 11830 1 1 16 CYS CB C -5.480 -9.151 -0.971 1.00 . A A . 16 CYS CB 1 1 18 11831 1 1 16 CYS H H -2.905 -9.221 -1.318 1.00 . A A . 16 CYS H 1 1 18 11832 1 1 16 CYS HA H -4.775 -7.304 -1.822 1.00 . A A . 16 CYS HA 1 1 18 11833 1 1 16 CYS HB2 H -5.213 -9.772 -1.813 1.00 . A A . 16 CYS HB2 1 1 18 11834 1 1 16 CYS HB3 H -5.343 -9.708 -0.057 1.00 . A A . 16 CYS HB3 1 1 18 11835 1 1 16 CYS N N -3.157 -8.350 -0.942 1.00 . A A . 16 CYS N 1 1 18 11836 1 1 16 CYS O O -4.258 -7.331 1.353 1.00 . A A . 16 CYS O 1 1 18 11837 1 1 16 CYS SG S -7.213 -8.657 -1.122 1.00 . A A . 16 CYS SG 1 1 18 11838 1 1 17 GLY C C -4.890 -4.321 1.767 1.00 . A A . 17 GLY C 1 1 18 11839 1 1 17 GLY CA C -6.020 -5.312 1.487 1.00 . A A . 17 GLY CA 1 1 18 11840 1 1 17 GLY H H -6.224 -5.946 -0.562 1.00 . A A . 17 GLY H 1 1 18 11841 1 1 17 GLY HA2 H -6.935 -4.760 1.341 1.00 . A A . 17 GLY HA2 1 1 18 11842 1 1 17 GLY HA3 H -6.128 -5.968 2.338 1.00 . A A . 17 GLY HA3 1 1 18 11843 1 1 17 GLY N N -5.737 -6.127 0.269 1.00 . A A . 17 GLY N 1 1 18 11844 1 1 17 GLY O O -4.938 -3.598 2.737 1.00 . A A . 17 GLY O 1 1 18 11845 1 1 18 TYR C C -2.324 -2.569 -0.037 1.00 . A A . 18 TYR C 1 1 18 11846 1 1 18 TYR CA C -2.765 -3.305 1.239 1.00 . A A . 18 TYR CA 1 1 18 11847 1 1 18 TYR CB C -1.598 -4.061 1.873 1.00 . A A . 18 TYR CB 1 1 18 11848 1 1 18 TYR CD1 C -2.461 -3.856 4.235 1.00 . A A . 18 TYR CD1 1 1 18 11849 1 1 18 TYR CD2 C -2.099 -6.073 3.320 1.00 . A A . 18 TYR CD2 1 1 18 11850 1 1 18 TYR CE1 C -2.888 -4.424 5.441 1.00 . A A . 18 TYR CE1 1 1 18 11851 1 1 18 TYR CE2 C -2.526 -6.640 4.530 1.00 . A A . 18 TYR CE2 1 1 18 11852 1 1 18 TYR CG C -2.065 -4.680 3.173 1.00 . A A . 18 TYR CG 1 1 18 11853 1 1 18 TYR CZ C -2.918 -5.814 5.590 1.00 . A A . 18 TYR CZ 1 1 18 11854 1 1 18 TYR H H -3.831 -4.882 0.124 1.00 . A A . 18 TYR H 1 1 18 11855 1 1 18 TYR HA H -3.121 -2.568 1.943 1.00 . A A . 18 TYR HA 1 1 18 11856 1 1 18 TYR HB2 H -1.256 -4.836 1.202 1.00 . A A . 18 TYR HB2 1 1 18 11857 1 1 18 TYR HB3 H -0.795 -3.377 2.077 1.00 . A A . 18 TYR HB3 1 1 18 11858 1 1 18 TYR HD1 H -2.435 -2.783 4.123 1.00 . A A . 18 TYR HD1 1 1 18 11859 1 1 18 TYR HD2 H -1.803 -6.708 2.503 1.00 . A A . 18 TYR HD2 1 1 18 11860 1 1 18 TYR HE1 H -3.199 -3.790 6.257 1.00 . A A . 18 TYR HE1 1 1 18 11861 1 1 18 TYR HE2 H -2.548 -7.714 4.645 1.00 . A A . 18 TYR HE2 1 1 18 11862 1 1 18 TYR HH H -2.562 -6.518 7.328 1.00 . A A . 18 TYR HH 1 1 18 11863 1 1 18 TYR N N -3.871 -4.269 0.951 1.00 . A A . 18 TYR N 1 1 18 11864 1 1 18 TYR O O -2.544 -3.024 -1.141 1.00 . A A . 18 TYR O 1 1 18 11865 1 1 18 TYR OH O -3.338 -6.369 6.781 1.00 . A A . 18 TYR OH 1 1 18 11866 1 1 19 ASN C C 0.147 -0.124 -0.888 1.00 . A A . 19 ASN C 1 1 18 11867 1 1 19 ASN CA C -1.302 -0.588 -1.060 1.00 . A A . 19 ASN CA 1 1 18 11868 1 1 19 ASN CB C -2.202 0.640 -1.141 1.00 . A A . 19 ASN CB 1 1 18 11869 1 1 19 ASN CG C -1.705 1.567 -2.241 1.00 . A A . 19 ASN CG 1 1 18 11870 1 1 19 ASN H H -1.596 -1.054 1.025 1.00 . A A . 19 ASN H 1 1 18 11871 1 1 19 ASN HA H -1.396 -1.168 -1.966 1.00 . A A . 19 ASN HA 1 1 18 11872 1 1 19 ASN HB2 H -3.210 0.328 -1.360 1.00 . A A . 19 ASN HB2 1 1 18 11873 1 1 19 ASN HB3 H -2.181 1.161 -0.197 1.00 . A A . 19 ASN HB3 1 1 18 11874 1 1 19 ASN HD21 H -1.401 3.094 -1.012 1.00 . A A . 19 ASN HD21 1 1 18 11875 1 1 19 ASN HD22 H -1.021 3.385 -2.641 1.00 . A A . 19 ASN HD22 1 1 18 11876 1 1 19 ASN N N -1.733 -1.405 0.122 1.00 . A A . 19 ASN N 1 1 18 11877 1 1 19 ASN ND2 N -1.347 2.782 -1.941 1.00 . A A . 19 ASN ND2 1 1 18 11878 1 1 19 ASN O O 0.709 -0.242 0.169 1.00 . A A . 19 ASN O 1 1 18 11879 1 1 19 ASN OD1 O -1.636 1.179 -3.384 1.00 . A A . 19 ASN OD1 1 1 18 11880 1 1 20 CYS C C 2.206 2.355 -1.353 1.00 . A A . 20 CYS C 1 1 18 11881 1 1 20 CYS CA C 2.175 0.886 -1.798 1.00 . A A . 20 CYS CA 1 1 18 11882 1 1 20 CYS CB C 2.867 0.749 -3.165 1.00 . A A . 20 CYS CB 1 1 18 11883 1 1 20 CYS H H 0.279 0.517 -2.771 1.00 . A A . 20 CYS H 1 1 18 11884 1 1 20 CYS HA H 2.688 0.281 -1.070 1.00 . A A . 20 CYS HA 1 1 18 11885 1 1 20 CYS HB2 H 2.548 -0.170 -3.632 1.00 . A A . 20 CYS HB2 1 1 18 11886 1 1 20 CYS HB3 H 2.581 1.582 -3.794 1.00 . A A . 20 CYS HB3 1 1 18 11887 1 1 20 CYS N N 0.755 0.418 -1.919 1.00 . A A . 20 CYS N 1 1 18 11888 1 1 20 CYS O O 1.866 3.251 -2.100 1.00 . A A . 20 CYS O 1 1 18 11889 1 1 20 CYS SG S 4.681 0.724 -2.989 1.00 . A A . 20 CYS SG 1 1 18 11890 1 1 21 VAL C C 4.125 4.487 0.399 1.00 . A A . 21 VAL C 1 1 18 11891 1 1 21 VAL CA C 2.675 4.002 0.386 1.00 . A A . 21 VAL CA 1 1 18 11892 1 1 21 VAL CB C 2.100 4.032 1.820 1.00 . A A . 21 VAL CB 1 1 18 11893 1 1 21 VAL CG1 C 2.917 4.978 2.713 1.00 . A A . 21 VAL CG1 1 1 18 11894 1 1 21 VAL CG2 C 0.642 4.515 1.794 1.00 . A A . 21 VAL CG2 1 1 18 11895 1 1 21 VAL H H 2.885 1.856 0.443 1.00 . A A . 21 VAL H 1 1 18 11896 1 1 21 VAL HA H 2.095 4.647 -0.253 1.00 . A A . 21 VAL HA 1 1 18 11897 1 1 21 VAL HB H 2.138 3.037 2.237 1.00 . A A . 21 VAL HB 1 1 18 11898 1 1 21 VAL HG11 H 2.402 5.121 3.650 1.00 . A A . 21 VAL HG11 1 1 18 11899 1 1 21 VAL HG12 H 3.034 5.931 2.218 1.00 . A A . 21 VAL HG12 1 1 18 11900 1 1 21 VAL HG13 H 3.891 4.548 2.901 1.00 . A A . 21 VAL HG13 1 1 18 11901 1 1 21 VAL HG21 H -0.016 3.667 1.669 1.00 . A A . 21 VAL HG21 1 1 18 11902 1 1 21 VAL HG22 H 0.498 5.204 0.977 1.00 . A A . 21 VAL HG22 1 1 18 11903 1 1 21 VAL HG23 H 0.414 5.012 2.722 1.00 . A A . 21 VAL HG23 1 1 18 11904 1 1 21 VAL N N 2.614 2.599 -0.135 1.00 . A A . 21 VAL N 1 1 18 11905 1 1 21 VAL O O 5.015 3.792 0.845 1.00 . A A . 21 VAL O 1 1 18 11906 1 1 22 TYR C C 6.207 6.418 1.386 1.00 . A A . 22 TYR C 1 1 18 11907 1 1 22 TYR CA C 5.769 6.191 -0.062 1.00 . A A . 22 TYR CA 1 1 18 11908 1 1 22 TYR CB C 5.872 7.510 -0.834 1.00 . A A . 22 TYR CB 1 1 18 11909 1 1 22 TYR CD1 C 8.144 7.411 -1.923 1.00 . A A . 22 TYR CD1 1 1 18 11910 1 1 22 TYR CD2 C 7.871 8.736 0.088 1.00 . A A . 22 TYR CD2 1 1 18 11911 1 1 22 TYR CE1 C 9.501 7.751 -1.963 1.00 . A A . 22 TYR CE1 1 1 18 11912 1 1 22 TYR CE2 C 9.227 9.077 0.047 1.00 . A A . 22 TYR CE2 1 1 18 11913 1 1 22 TYR CG C 7.329 7.904 -0.897 1.00 . A A . 22 TYR CG 1 1 18 11914 1 1 22 TYR CZ C 10.044 8.584 -0.976 1.00 . A A . 22 TYR CZ 1 1 18 11915 1 1 22 TYR H H 3.609 6.259 -0.444 1.00 . A A . 22 TYR H 1 1 18 11916 1 1 22 TYR HA H 6.417 5.460 -0.516 1.00 . A A . 22 TYR HA 1 1 18 11917 1 1 22 TYR HB2 H 5.483 7.379 -1.835 1.00 . A A . 22 TYR HB2 1 1 18 11918 1 1 22 TYR HB3 H 5.312 8.276 -0.322 1.00 . A A . 22 TYR HB3 1 1 18 11919 1 1 22 TYR HD1 H 7.726 6.769 -2.682 1.00 . A A . 22 TYR HD1 1 1 18 11920 1 1 22 TYR HD2 H 7.241 9.119 0.872 1.00 . A A . 22 TYR HD2 1 1 18 11921 1 1 22 TYR HE1 H 10.130 7.371 -2.754 1.00 . A A . 22 TYR HE1 1 1 18 11922 1 1 22 TYR HE2 H 9.648 9.715 0.813 1.00 . A A . 22 TYR HE2 1 1 18 11923 1 1 22 TYR HH H 11.775 8.665 -0.174 1.00 . A A . 22 TYR HH 1 1 18 11924 1 1 22 TYR N N 4.373 5.679 -0.070 1.00 . A A . 22 TYR N 1 1 18 11925 1 1 22 TYR O O 5.437 6.856 2.219 1.00 . A A . 22 TYR O 1 1 18 11926 1 1 22 TYR OH O 11.383 8.917 -1.014 1.00 . A A . 22 TYR OH 1 1 18 11927 1 1 23 ALA C C 8.416 7.728 3.287 1.00 . A A . 23 ALA C 1 1 18 11928 1 1 23 ALA CA C 7.934 6.296 3.088 1.00 . A A . 23 ALA CA 1 1 18 11929 1 1 23 ALA CB C 9.085 5.318 3.332 1.00 . A A . 23 ALA CB 1 1 18 11930 1 1 23 ALA H H 8.036 5.756 1.006 1.00 . A A . 23 ALA H 1 1 18 11931 1 1 23 ALA HA H 7.149 6.098 3.792 1.00 . A A . 23 ALA HA 1 1 18 11932 1 1 23 ALA HB1 H 9.030 4.514 2.615 1.00 . A A . 23 ALA HB1 1 1 18 11933 1 1 23 ALA HB2 H 9.005 4.911 4.327 1.00 . A A . 23 ALA HB2 1 1 18 11934 1 1 23 ALA HB3 H 10.029 5.831 3.228 1.00 . A A . 23 ALA HB3 1 1 18 11935 1 1 23 ALA N N 7.437 6.114 1.694 1.00 . A A . 23 ALA N 1 1 18 11936 1 1 23 ALA O O 7.911 8.655 2.700 1.00 . A A . 23 ALA O 1 1 18 11937 1 1 24 TRP C C 11.113 9.239 5.299 1.00 . A A . 24 TRP C 1 1 18 11938 1 1 24 TRP CA C 9.891 9.285 4.373 1.00 . A A . 24 TRP CA 1 1 18 11939 1 1 24 TRP CB C 8.777 10.124 5.022 1.00 . A A . 24 TRP CB 1 1 18 11940 1 1 24 TRP CD1 C 8.206 8.790 7.092 1.00 . A A . 24 TRP CD1 1 1 18 11941 1 1 24 TRP CD2 C 6.579 8.705 5.542 1.00 . A A . 24 TRP CD2 1 1 18 11942 1 1 24 TRP CE2 C 6.144 7.918 6.634 1.00 . A A . 24 TRP CE2 1 1 18 11943 1 1 24 TRP CE3 C 5.728 8.819 4.427 1.00 . A A . 24 TRP CE3 1 1 18 11944 1 1 24 TRP CG C 7.899 9.242 5.855 1.00 . A A . 24 TRP CG 1 1 18 11945 1 1 24 TRP CH2 C 4.077 7.392 5.507 1.00 . A A . 24 TRP CH2 1 1 18 11946 1 1 24 TRP CZ2 C 4.909 7.268 6.621 1.00 . A A . 24 TRP CZ2 1 1 18 11947 1 1 24 TRP CZ3 C 4.485 8.166 4.413 1.00 . A A . 24 TRP CZ3 1 1 18 11948 1 1 24 TRP H H 9.758 7.137 4.592 1.00 . A A . 24 TRP H 1 1 18 11949 1 1 24 TRP HA H 10.176 9.737 3.433 1.00 . A A . 24 TRP HA 1 1 18 11950 1 1 24 TRP HB2 H 9.216 10.888 5.648 1.00 . A A . 24 TRP HB2 1 1 18 11951 1 1 24 TRP HB3 H 8.185 10.593 4.250 1.00 . A A . 24 TRP HB3 1 1 18 11952 1 1 24 TRP HD1 H 9.115 9.004 7.630 1.00 . A A . 24 TRP HD1 1 1 18 11953 1 1 24 TRP HE1 H 7.147 7.547 8.421 1.00 . A A . 24 TRP HE1 1 1 18 11954 1 1 24 TRP HE3 H 6.029 9.417 3.581 1.00 . A A . 24 TRP HE3 1 1 18 11955 1 1 24 TRP HH2 H 3.119 6.892 5.489 1.00 . A A . 24 TRP HH2 1 1 18 11956 1 1 24 TRP HZ2 H 4.601 6.671 7.468 1.00 . A A . 24 TRP HZ2 1 1 18 11957 1 1 24 TRP HZ3 H 3.840 8.261 3.551 1.00 . A A . 24 TRP HZ3 1 1 18 11958 1 1 24 TRP N N 9.382 7.906 4.121 1.00 . A A . 24 TRP N 1 1 18 11959 1 1 24 TRP NE1 N 7.170 8.000 7.552 1.00 . A A . 24 TRP NE1 1 1 18 11960 1 1 24 TRP O O 12.131 9.835 5.007 1.00 . A A . 24 TRP O 1 1 18 11961 1 1 25 TYR C C 13.142 7.342 6.815 1.00 . A A . 25 TYR C 1 1 18 11962 1 1 25 TYR CA C 12.240 8.479 7.292 1.00 . A A . 25 TYR CA 1 1 18 11963 1 1 25 TYR CB C 11.808 8.252 8.750 1.00 . A A . 25 TYR CB 1 1 18 11964 1 1 25 TYR CD1 C 10.513 6.102 8.439 1.00 . A A . 25 TYR CD1 1 1 18 11965 1 1 25 TYR CD2 C 12.467 6.092 9.875 1.00 . A A . 25 TYR CD2 1 1 18 11966 1 1 25 TYR CE1 C 10.315 4.743 8.703 1.00 . A A . 25 TYR CE1 1 1 18 11967 1 1 25 TYR CE2 C 12.267 4.732 10.140 1.00 . A A . 25 TYR CE2 1 1 18 11968 1 1 25 TYR CG C 11.590 6.780 9.025 1.00 . A A . 25 TYR CG 1 1 18 11969 1 1 25 TYR CZ C 11.191 4.058 9.554 1.00 . A A . 25 TYR CZ 1 1 18 11970 1 1 25 TYR H H 10.181 8.035 6.646 1.00 . A A . 25 TYR H 1 1 18 11971 1 1 25 TYR HA H 12.782 9.412 7.224 1.00 . A A . 25 TYR HA 1 1 18 11972 1 1 25 TYR HB2 H 12.579 8.626 9.407 1.00 . A A . 25 TYR HB2 1 1 18 11973 1 1 25 TYR HB3 H 10.893 8.790 8.937 1.00 . A A . 25 TYR HB3 1 1 18 11974 1 1 25 TYR HD1 H 9.838 6.631 7.782 1.00 . A A . 25 TYR HD1 1 1 18 11975 1 1 25 TYR HD2 H 13.298 6.612 10.328 1.00 . A A . 25 TYR HD2 1 1 18 11976 1 1 25 TYR HE1 H 9.485 4.221 8.252 1.00 . A A . 25 TYR HE1 1 1 18 11977 1 1 25 TYR HE2 H 12.943 4.204 10.797 1.00 . A A . 25 TYR HE2 1 1 18 11978 1 1 25 TYR HH H 11.850 2.285 9.828 1.00 . A A . 25 TYR HH 1 1 18 11979 1 1 25 TYR N N 11.045 8.538 6.399 1.00 . A A . 25 TYR N 1 1 18 11980 1 1 25 TYR O O 14.352 7.426 6.877 1.00 . A A . 25 TYR O 1 1 18 11981 1 1 25 TYR OH O 10.991 2.717 9.818 1.00 . A A . 25 TYR OH 1 1 18 11982 1 1 26 ASN C C 13.258 5.082 4.278 1.00 . A A . 26 ASN C 1 1 18 11983 1 1 26 ASN CA C 13.365 5.140 5.809 1.00 . A A . 26 ASN CA 1 1 18 11984 1 1 26 ASN CB C 12.863 3.831 6.427 1.00 . A A . 26 ASN CB 1 1 18 11985 1 1 26 ASN CG C 11.433 3.549 5.966 1.00 . A A . 26 ASN CG 1 1 18 11986 1 1 26 ASN H H 11.576 6.248 6.266 1.00 . A A . 26 ASN H 1 1 18 11987 1 1 26 ASN HA H 14.402 5.286 6.081 1.00 . A A . 26 ASN HA 1 1 18 11988 1 1 26 ASN HB2 H 13.506 3.020 6.120 1.00 . A A . 26 ASN HB2 1 1 18 11989 1 1 26 ASN HB3 H 12.880 3.914 7.503 1.00 . A A . 26 ASN HB3 1 1 18 11990 1 1 26 ASN HD21 H 10.800 5.394 6.322 1.00 . A A . 26 ASN HD21 1 1 18 11991 1 1 26 ASN HD22 H 9.632 4.327 5.707 1.00 . A A . 26 ASN HD22 1 1 18 11992 1 1 26 ASN N N 12.555 6.283 6.318 1.00 . A A . 26 ASN N 1 1 18 11993 1 1 26 ASN ND2 N 10.550 4.503 6.003 1.00 . A A . 26 ASN ND2 1 1 18 11994 1 1 26 ASN O O 13.690 4.134 3.654 1.00 . A A . 26 ASN O 1 1 18 11995 1 1 26 ASN OD1 O 11.118 2.443 5.571 1.00 . A A . 26 ASN OD1 1 1 18 11996 1 1 27 GLN C C 11.870 4.853 1.677 1.00 . A A . 27 GLN C 1 1 18 11997 1 1 27 GLN CA C 12.576 6.113 2.177 1.00 . A A . 27 GLN CA 1 1 18 11998 1 1 27 GLN CB C 13.979 6.187 1.565 1.00 . A A . 27 GLN CB 1 1 18 11999 1 1 27 GLN CD C 13.828 8.660 1.262 1.00 . A A . 27 GLN CD 1 1 18 12000 1 1 27 GLN CG C 14.622 7.529 1.918 1.00 . A A . 27 GLN CG 1 1 18 12001 1 1 27 GLN H H 12.360 6.860 4.185 1.00 . A A . 27 GLN H 1 1 18 12002 1 1 27 GLN HA H 12.009 6.981 1.873 1.00 . A A . 27 GLN HA 1 1 18 12003 1 1 27 GLN HB2 H 14.586 5.383 1.956 1.00 . A A . 27 GLN HB2 1 1 18 12004 1 1 27 GLN HB3 H 13.909 6.095 0.491 1.00 . A A . 27 GLN HB3 1 1 18 12005 1 1 27 GLN HE21 H 13.533 9.633 2.968 1.00 . A A . 27 GLN HE21 1 1 18 12006 1 1 27 GLN HE22 H 12.856 10.359 1.591 1.00 . A A . 27 GLN HE22 1 1 18 12007 1 1 27 GLN HG2 H 14.618 7.660 2.992 1.00 . A A . 27 GLN HG2 1 1 18 12008 1 1 27 GLN HG3 H 15.639 7.548 1.555 1.00 . A A . 27 GLN HG3 1 1 18 12009 1 1 27 GLN N N 12.695 6.098 3.665 1.00 . A A . 27 GLN N 1 1 18 12010 1 1 27 GLN NE2 N 13.368 9.632 2.001 1.00 . A A . 27 GLN NE2 1 1 18 12011 1 1 27 GLN O O 11.280 4.109 2.435 1.00 . A A . 27 GLN O 1 1 18 12012 1 1 27 GLN OE1 O 13.618 8.655 0.065 1.00 . A A . 27 GLN OE1 1 1 18 12013 1 1 28 GLN C C 9.748 3.524 0.016 1.00 . A A . 28 GLN C 1 1 18 12014 1 1 28 GLN CA C 11.263 3.412 -0.188 1.00 . A A . 28 GLN CA 1 1 18 12015 1 1 28 GLN CB C 11.799 2.155 0.516 1.00 . A A . 28 GLN CB 1 1 18 12016 1 1 28 GLN CD C 12.959 1.342 -1.557 1.00 . A A . 28 GLN CD 1 1 18 12017 1 1 28 GLN CG C 11.918 0.999 -0.488 1.00 . A A . 28 GLN CG 1 1 18 12018 1 1 28 GLN H H 12.409 5.234 -0.196 1.00 . A A . 28 GLN H 1 1 18 12019 1 1 28 GLN HA H 11.475 3.356 -1.244 1.00 . A A . 28 GLN HA 1 1 18 12020 1 1 28 GLN HB2 H 12.770 2.368 0.936 1.00 . A A . 28 GLN HB2 1 1 18 12021 1 1 28 GLN HB3 H 11.124 1.870 1.308 1.00 . A A . 28 GLN HB3 1 1 18 12022 1 1 28 GLN HE21 H 11.866 0.611 -3.046 1.00 . A A . 28 GLN HE21 1 1 18 12023 1 1 28 GLN HE22 H 13.367 1.262 -3.500 1.00 . A A . 28 GLN HE22 1 1 18 12024 1 1 28 GLN HG2 H 12.221 0.103 0.033 1.00 . A A . 28 GLN HG2 1 1 18 12025 1 1 28 GLN HG3 H 10.965 0.832 -0.962 1.00 . A A . 28 GLN HG3 1 1 18 12026 1 1 28 GLN N N 11.928 4.615 0.391 1.00 . A A . 28 GLN N 1 1 18 12027 1 1 28 GLN NE2 N 12.709 1.047 -2.805 1.00 . A A . 28 GLN NE2 1 1 18 12028 1 1 28 GLN O O 9.238 4.563 0.374 1.00 . A A . 28 GLN O 1 1 18 12029 1 1 28 GLN OE1 O 14.003 1.886 -1.256 1.00 . A A . 28 GLN OE1 1 1 18 12030 1 1 29 SER C C 7.104 1.279 0.770 1.00 . A A . 29 SER C 1 1 18 12031 1 1 29 SER CA C 7.546 2.490 -0.046 1.00 . A A . 29 SER CA 1 1 18 12032 1 1 29 SER CB C 6.863 2.417 -1.408 1.00 . A A . 29 SER CB 1 1 18 12033 1 1 29 SER H H 9.466 1.638 -0.514 1.00 . A A . 29 SER H 1 1 18 12034 1 1 29 SER HA H 7.250 3.396 0.459 1.00 . A A . 29 SER HA 1 1 18 12035 1 1 29 SER HB2 H 7.268 1.592 -1.970 1.00 . A A . 29 SER HB2 1 1 18 12036 1 1 29 SER HB3 H 5.807 2.258 -1.257 1.00 . A A . 29 SER HB3 1 1 18 12037 1 1 29 SER HG H 7.154 4.338 -1.490 1.00 . A A . 29 SER HG 1 1 18 12038 1 1 29 SER N N 9.029 2.459 -0.218 1.00 . A A . 29 SER N 1 1 18 12039 1 1 29 SER O O 7.682 0.220 0.670 1.00 . A A . 29 SER O 1 1 18 12040 1 1 29 SER OG O 7.082 3.625 -2.125 1.00 . A A . 29 SER OG 1 1 18 12041 1 1 30 SER C C 4.064 0.136 2.143 1.00 . A A . 30 SER C 1 1 18 12042 1 1 30 SER CA C 5.568 0.301 2.375 1.00 . A A . 30 SER CA 1 1 18 12043 1 1 30 SER CB C 5.843 0.596 3.851 1.00 . A A . 30 SER CB 1 1 18 12044 1 1 30 SER H H 5.620 2.278 1.603 1.00 . A A . 30 SER H 1 1 18 12045 1 1 30 SER HA H 6.069 -0.587 2.085 1.00 . A A . 30 SER HA 1 1 18 12046 1 1 30 SER HB2 H 5.623 -0.274 4.443 1.00 . A A . 30 SER HB2 1 1 18 12047 1 1 30 SER HB3 H 6.886 0.855 3.975 1.00 . A A . 30 SER HB3 1 1 18 12048 1 1 30 SER HG H 4.552 2.011 3.509 1.00 . A A . 30 SER HG 1 1 18 12049 1 1 30 SER N N 6.070 1.428 1.558 1.00 . A A . 30 SER N 1 1 18 12050 1 1 30 SER O O 3.346 1.100 1.978 1.00 . A A . 30 SER O 1 1 18 12051 1 1 30 SER OG O 5.020 1.674 4.277 1.00 . A A . 30 SER OG 1 1 18 12052 1 1 31 CYS C C 1.316 -0.748 3.074 1.00 . A A . 31 CYS C 1 1 18 12053 1 1 31 CYS CA C 2.116 -1.281 1.880 1.00 . A A . 31 CYS CA 1 1 18 12054 1 1 31 CYS CB C 1.795 -2.770 1.697 1.00 . A A . 31 CYS CB 1 1 18 12055 1 1 31 CYS H H 4.168 -1.850 2.244 1.00 . A A . 31 CYS H 1 1 18 12056 1 1 31 CYS HA H 1.832 -0.742 0.997 1.00 . A A . 31 CYS HA 1 1 18 12057 1 1 31 CYS HB2 H 2.129 -3.316 2.562 1.00 . A A . 31 CYS HB2 1 1 18 12058 1 1 31 CYS HB3 H 0.732 -2.884 1.597 1.00 . A A . 31 CYS HB3 1 1 18 12059 1 1 31 CYS N N 3.578 -1.079 2.117 1.00 . A A . 31 CYS N 1 1 18 12060 1 1 31 CYS O O 1.763 -0.792 4.196 1.00 . A A . 31 CYS O 1 1 18 12061 1 1 31 CYS SG S 2.602 -3.442 0.220 1.00 . A A . 31 CYS SG 1 1 18 12062 1 1 32 GLU C C -2.193 0.050 3.674 1.00 . A A . 32 GLU C 1 1 18 12063 1 1 32 GLU CA C -0.706 0.274 3.965 1.00 . A A . 32 GLU CA 1 1 18 12064 1 1 32 GLU CB C -0.466 1.787 4.123 1.00 . A A . 32 GLU CB 1 1 18 12065 1 1 32 GLU CD C -1.489 4.059 3.860 1.00 . A A . 32 GLU CD 1 1 18 12066 1 1 32 GLU CG C -1.693 2.563 3.634 1.00 . A A . 32 GLU CG 1 1 18 12067 1 1 32 GLU H H -0.221 -0.231 1.924 1.00 . A A . 32 GLU H 1 1 18 12068 1 1 32 GLU HA H -0.431 -0.230 4.882 1.00 . A A . 32 GLU HA 1 1 18 12069 1 1 32 GLU HB2 H -0.289 2.017 5.166 1.00 . A A . 32 GLU HB2 1 1 18 12070 1 1 32 GLU HB3 H 0.396 2.078 3.542 1.00 . A A . 32 GLU HB3 1 1 18 12071 1 1 32 GLU HG2 H -1.836 2.370 2.581 1.00 . A A . 32 GLU HG2 1 1 18 12072 1 1 32 GLU HG3 H -2.562 2.238 4.183 1.00 . A A . 32 GLU HG3 1 1 18 12073 1 1 32 GLU N N 0.128 -0.251 2.838 1.00 . A A . 32 GLU N 1 1 18 12074 1 1 32 GLU O O -2.610 -0.060 2.534 1.00 . A A . 32 GLU O 1 1 18 12075 1 1 32 GLU OE1 O -0.830 4.409 4.824 1.00 . A A . 32 GLU OE1 1 1 18 12076 1 1 32 GLU OE2 O -2.000 4.830 3.066 1.00 . A A . 32 GLU OE2 1 1 18 12077 1 1 33 ARG C C -5.065 0.821 3.750 1.00 . A A . 33 ARG C 1 1 18 12078 1 1 33 ARG CA C -4.453 -0.377 4.490 1.00 . A A . 33 ARG CA 1 1 18 12079 1 1 33 ARG CB C -5.131 -0.585 5.855 1.00 . A A . 33 ARG CB 1 1 18 12080 1 1 33 ARG CD C -5.911 -2.914 5.283 1.00 . A A . 33 ARG CD 1 1 18 12081 1 1 33 ARG CG C -6.353 -1.506 5.713 1.00 . A A . 33 ARG CG 1 1 18 12082 1 1 33 ARG CZ C -6.876 -4.179 7.122 1.00 . A A . 33 ARG CZ 1 1 18 12083 1 1 33 ARG H H -2.641 -0.063 5.611 1.00 . A A . 33 ARG H 1 1 18 12084 1 1 33 ARG HA H -4.578 -1.256 3.881 1.00 . A A . 33 ARG HA 1 1 18 12085 1 1 33 ARG HB2 H -4.425 -1.034 6.538 1.00 . A A . 33 ARG HB2 1 1 18 12086 1 1 33 ARG HB3 H -5.448 0.371 6.248 1.00 . A A . 33 ARG HB3 1 1 18 12087 1 1 33 ARG HD2 H -6.628 -3.320 4.585 1.00 . A A . 33 ARG HD2 1 1 18 12088 1 1 33 ARG HD3 H -4.947 -2.862 4.806 1.00 . A A . 33 ARG HD3 1 1 18 12089 1 1 33 ARG HE H -4.926 -4.125 6.766 1.00 . A A . 33 ARG HE 1 1 18 12090 1 1 33 ARG HG2 H -6.865 -1.566 6.663 1.00 . A A . 33 ARG HG2 1 1 18 12091 1 1 33 ARG HG3 H -7.024 -1.097 4.973 1.00 . A A . 33 ARG HG3 1 1 18 12092 1 1 33 ARG HH11 H -8.132 -3.117 5.985 1.00 . A A . 33 ARG HH11 1 1 18 12093 1 1 33 ARG HH12 H -8.867 -4.033 7.257 1.00 . A A . 33 ARG HH12 1 1 18 12094 1 1 33 ARG HH21 H -5.864 -5.323 8.417 1.00 . A A . 33 ARG HH21 1 1 18 12095 1 1 33 ARG HH22 H -7.581 -5.286 8.635 1.00 . A A . 33 ARG HH22 1 1 18 12096 1 1 33 ARG N N -2.994 -0.133 4.701 1.00 . A A . 33 ARG N 1 1 18 12097 1 1 33 ARG NE N -5.807 -3.805 6.476 1.00 . A A . 33 ARG NE 1 1 18 12098 1 1 33 ARG NH1 N -8.049 -3.743 6.760 1.00 . A A . 33 ARG NH1 1 1 18 12099 1 1 33 ARG NH2 N -6.765 -4.992 8.138 1.00 . A A . 33 ARG NH2 1 1 18 12100 1 1 33 ARG O O -4.774 1.961 4.051 1.00 . A A . 33 ARG O 1 1 18 12101 1 1 34 LYS C C -7.770 2.195 2.602 1.00 . A A . 34 LYS C 1 1 18 12102 1 1 34 LYS CA C -6.478 1.675 1.972 1.00 . A A . 34 LYS CA 1 1 18 12103 1 1 34 LYS CB C -6.812 1.177 0.564 1.00 . A A . 34 LYS CB 1 1 18 12104 1 1 34 LYS CD C -5.817 0.370 -1.585 1.00 . A A . 34 LYS CD 1 1 18 12105 1 1 34 LYS CE C -5.440 1.630 -2.375 1.00 . A A . 34 LYS CE 1 1 18 12106 1 1 34 LYS CG C -5.565 0.583 -0.081 1.00 . A A . 34 LYS CG 1 1 18 12107 1 1 34 LYS H H -6.083 -0.350 2.517 1.00 . A A . 34 LYS H 1 1 18 12108 1 1 34 LYS HA H -5.766 2.463 1.905 1.00 . A A . 34 LYS HA 1 1 18 12109 1 1 34 LYS HB2 H -7.578 0.418 0.626 1.00 . A A . 34 LYS HB2 1 1 18 12110 1 1 34 LYS HB3 H -7.170 1.999 -0.034 1.00 . A A . 34 LYS HB3 1 1 18 12111 1 1 34 LYS HD2 H -5.222 -0.461 -1.936 1.00 . A A . 34 LYS HD2 1 1 18 12112 1 1 34 LYS HD3 H -6.863 0.150 -1.747 1.00 . A A . 34 LYS HD3 1 1 18 12113 1 1 34 LYS HE2 H -4.484 2.001 -2.036 1.00 . A A . 34 LYS HE2 1 1 18 12114 1 1 34 LYS HE3 H -5.376 1.384 -3.425 1.00 . A A . 34 LYS HE3 1 1 18 12115 1 1 34 LYS HG2 H -4.733 1.255 0.064 1.00 . A A . 34 LYS HG2 1 1 18 12116 1 1 34 LYS HG3 H -5.347 -0.369 0.388 1.00 . A A . 34 LYS HG3 1 1 18 12117 1 1 34 LYS HZ1 H -7.373 2.246 -1.891 1.00 . A A . 34 LYS HZ1 1 1 18 12118 1 1 34 LYS HZ2 H -6.619 3.207 -3.067 1.00 . A A . 34 LYS HZ2 1 1 18 12119 1 1 34 LYS HZ3 H -6.162 3.345 -1.437 1.00 . A A . 34 LYS HZ3 1 1 18 12120 1 1 34 LYS N N -5.885 0.568 2.761 1.00 . A A . 34 LYS N 1 1 18 12121 1 1 34 LYS NZ N -6.477 2.687 -2.179 1.00 . A A . 34 LYS NZ 1 1 18 12122 1 1 34 LYS O O -8.414 3.067 2.055 1.00 . A A . 34 LYS O 1 1 18 12123 1 1 35 TRP C C -10.523 2.000 3.179 1.00 . A A . 35 TRP C 1 1 18 12124 1 1 35 TRP CA C -9.478 2.138 4.288 1.00 . A A . 35 TRP CA 1 1 18 12125 1 1 35 TRP CB C -9.406 3.625 4.695 1.00 . A A . 35 TRP CB 1 1 18 12126 1 1 35 TRP CD1 C -6.891 3.842 4.994 1.00 . A A . 35 TRP CD1 1 1 18 12127 1 1 35 TRP CD2 C -8.040 4.484 6.821 1.00 . A A . 35 TRP CD2 1 1 18 12128 1 1 35 TRP CE2 C -6.666 4.661 7.117 1.00 . A A . 35 TRP CE2 1 1 18 12129 1 1 35 TRP CE3 C -8.979 4.821 7.813 1.00 . A A . 35 TRP CE3 1 1 18 12130 1 1 35 TRP CG C -8.156 3.949 5.466 1.00 . A A . 35 TRP CG 1 1 18 12131 1 1 35 TRP CH2 C -7.186 5.489 9.322 1.00 . A A . 35 TRP CH2 1 1 18 12132 1 1 35 TRP CZ2 C -6.240 5.157 8.349 1.00 . A A . 35 TRP CZ2 1 1 18 12133 1 1 35 TRP CZ3 C -8.552 5.321 9.055 1.00 . A A . 35 TRP CZ3 1 1 18 12134 1 1 35 TRP H H -7.691 0.933 4.135 1.00 . A A . 35 TRP H 1 1 18 12135 1 1 35 TRP HA H -9.756 1.530 5.138 1.00 . A A . 35 TRP HA 1 1 18 12136 1 1 35 TRP HB2 H -9.433 4.236 3.807 1.00 . A A . 35 TRP HB2 1 1 18 12137 1 1 35 TRP HB3 H -10.266 3.861 5.305 1.00 . A A . 35 TRP HB3 1 1 18 12138 1 1 35 TRP HD1 H -6.613 3.487 4.018 1.00 . A A . 35 TRP HD1 1 1 18 12139 1 1 35 TRP HE1 H -5.034 4.270 5.892 1.00 . A A . 35 TRP HE1 1 1 18 12140 1 1 35 TRP HE3 H -10.035 4.696 7.622 1.00 . A A . 35 TRP HE3 1 1 18 12141 1 1 35 TRP HH2 H -6.864 5.876 10.279 1.00 . A A . 35 TRP HH2 1 1 18 12142 1 1 35 TRP HZ2 H -5.186 5.286 8.547 1.00 . A A . 35 TRP HZ2 1 1 18 12143 1 1 35 TRP HZ3 H -9.282 5.579 9.809 1.00 . A A . 35 TRP HZ3 1 1 18 12144 1 1 35 TRP N N -8.191 1.659 3.710 1.00 . A A . 35 TRP N 1 1 18 12145 1 1 35 TRP NE1 N -6.010 4.256 5.978 1.00 . A A . 35 TRP NE1 1 1 18 12146 1 1 35 TRP O O -10.257 1.423 2.144 1.00 . A A . 35 TRP O 1 1 18 12147 1 1 36 LYS C C -13.780 3.535 2.546 1.00 . A A . 36 LYS C 1 1 18 12148 1 1 36 LYS CA C -12.708 2.506 2.266 1.00 . A A . 36 LYS CA 1 1 18 12149 1 1 36 LYS CB C -13.372 1.118 2.173 1.00 . A A . 36 LYS CB 1 1 18 12150 1 1 36 LYS CD C -11.955 0.443 0.189 1.00 . A A . 36 LYS CD 1 1 18 12151 1 1 36 LYS CE C -10.865 -0.518 -0.298 1.00 . A A . 36 LYS CE 1 1 18 12152 1 1 36 LYS CG C -12.406 0.056 1.607 1.00 . A A . 36 LYS CG 1 1 18 12153 1 1 36 LYS H H -11.863 3.071 4.168 1.00 . A A . 36 LYS H 1 1 18 12154 1 1 36 LYS HA H -12.251 2.749 1.343 1.00 . A A . 36 LYS HA 1 1 18 12155 1 1 36 LYS HB2 H -13.693 0.815 3.157 1.00 . A A . 36 LYS HB2 1 1 18 12156 1 1 36 LYS HB3 H -14.236 1.186 1.528 1.00 . A A . 36 LYS HB3 1 1 18 12157 1 1 36 LYS HD2 H -12.802 0.392 -0.482 1.00 . A A . 36 LYS HD2 1 1 18 12158 1 1 36 LYS HD3 H -11.563 1.444 0.189 1.00 . A A . 36 LYS HD3 1 1 18 12159 1 1 36 LYS HE2 H -10.235 -0.806 0.532 1.00 . A A . 36 LYS HE2 1 1 18 12160 1 1 36 LYS HE3 H -11.324 -1.398 -0.723 1.00 . A A . 36 LYS HE3 1 1 18 12161 1 1 36 LYS HG2 H -11.550 -0.041 2.252 1.00 . A A . 36 LYS HG2 1 1 18 12162 1 1 36 LYS HG3 H -12.918 -0.892 1.561 1.00 . A A . 36 LYS HG3 1 1 18 12163 1 1 36 LYS HZ1 H -10.530 1.017 -1.668 1.00 . A A . 36 LYS HZ1 1 1 18 12164 1 1 36 LYS HZ2 H -9.894 -0.482 -2.143 1.00 . A A . 36 LYS HZ2 1 1 18 12165 1 1 36 LYS HZ3 H -9.117 0.424 -0.932 1.00 . A A . 36 LYS HZ3 1 1 18 12166 1 1 36 LYS N N -11.679 2.570 3.347 1.00 . A A . 36 LYS N 1 1 18 12167 1 1 36 LYS NZ N -10.040 0.161 -1.339 1.00 . A A . 36 LYS NZ 1 1 18 12168 1 1 36 LYS O O -14.238 4.219 1.655 1.00 . A A . 36 LYS O 1 1 18 12169 1 1 37 TYR C C -15.602 4.529 5.584 1.00 . A A . 37 TYR C 1 1 18 12170 1 1 37 TYR CA C -15.204 4.669 4.117 1.00 . A A . 37 TYR CA 1 1 18 12171 1 1 37 TYR CB C -16.433 4.461 3.219 1.00 . A A . 37 TYR CB 1 1 18 12172 1 1 37 TYR CD1 C -17.189 6.860 3.286 1.00 . A A . 37 TYR CD1 1 1 18 12173 1 1 37 TYR CD2 C -18.725 5.135 4.023 1.00 . A A . 37 TYR CD2 1 1 18 12174 1 1 37 TYR CE1 C -18.156 7.835 3.556 1.00 . A A . 37 TYR CE1 1 1 18 12175 1 1 37 TYR CE2 C -19.690 6.110 4.293 1.00 . A A . 37 TYR CE2 1 1 18 12176 1 1 37 TYR CG C -17.474 5.511 3.522 1.00 . A A . 37 TYR CG 1 1 18 12177 1 1 37 TYR CZ C -19.406 7.460 4.059 1.00 . A A . 37 TYR CZ 1 1 18 12178 1 1 37 TYR H H -13.752 3.074 4.505 1.00 . A A . 37 TYR H 1 1 18 12179 1 1 37 TYR HA H -14.807 5.650 3.957 1.00 . A A . 37 TYR HA 1 1 18 12180 1 1 37 TYR HB2 H -16.144 4.539 2.182 1.00 . A A . 37 TYR HB2 1 1 18 12181 1 1 37 TYR HB3 H -16.846 3.482 3.399 1.00 . A A . 37 TYR HB3 1 1 18 12182 1 1 37 TYR HD1 H -16.224 7.146 2.899 1.00 . A A . 37 TYR HD1 1 1 18 12183 1 1 37 TYR HD2 H -18.946 4.093 4.200 1.00 . A A . 37 TYR HD2 1 1 18 12184 1 1 37 TYR HE1 H -17.935 8.877 3.375 1.00 . A A . 37 TYR HE1 1 1 18 12185 1 1 37 TYR HE2 H -20.655 5.820 4.683 1.00 . A A . 37 TYR HE2 1 1 18 12186 1 1 37 TYR HH H -20.050 9.272 4.057 1.00 . A A . 37 TYR HH 1 1 18 12187 1 1 37 TYR N N -14.164 3.665 3.769 1.00 . A A . 37 TYR N 1 1 18 12188 1 1 37 TYR O O -16.133 5.442 6.186 1.00 . A A . 37 TYR O 1 1 18 12189 1 1 37 TYR OH O -20.359 8.422 4.324 1.00 . A A . 37 TYR OH 1 1 18 12190 1 1 38 LEU C C -15.011 1.949 8.157 1.00 . A A . 38 LEU C 1 1 18 12191 1 1 38 LEU CA C -15.728 3.189 7.587 1.00 . A A . 38 LEU CA 1 1 18 12192 1 1 38 LEU CB C -17.258 3.044 7.700 1.00 . A A . 38 LEU CB 1 1 18 12193 1 1 38 LEU CD1 C -17.444 1.015 6.211 1.00 . A A . 38 LEU CD1 1 1 18 12194 1 1 38 LEU CD2 C -19.383 2.574 6.481 1.00 . A A . 38 LEU CD2 1 1 18 12195 1 1 38 LEU CG C -17.855 2.483 6.402 1.00 . A A . 38 LEU CG 1 1 18 12196 1 1 38 LEU H H -14.935 2.679 5.669 1.00 . A A . 38 LEU H 1 1 18 12197 1 1 38 LEU HA H -15.411 4.051 8.139 1.00 . A A . 38 LEU HA 1 1 18 12198 1 1 38 LEU HB2 H -17.506 2.386 8.512 1.00 . A A . 38 LEU HB2 1 1 18 12199 1 1 38 LEU HB3 H -17.688 4.015 7.889 1.00 . A A . 38 LEU HB3 1 1 18 12200 1 1 38 LEU HD11 H -18.272 0.371 6.466 1.00 . A A . 38 LEU HD11 1 1 18 12201 1 1 38 LEU HD12 H -16.604 0.782 6.844 1.00 . A A . 38 LEU HD12 1 1 18 12202 1 1 38 LEU HD13 H -17.168 0.853 5.181 1.00 . A A . 38 LEU HD13 1 1 18 12203 1 1 38 LEU HD21 H -19.689 3.605 6.385 1.00 . A A . 38 LEU HD21 1 1 18 12204 1 1 38 LEU HD22 H -19.717 2.186 7.432 1.00 . A A . 38 LEU HD22 1 1 18 12205 1 1 38 LEU HD23 H -19.818 1.992 5.682 1.00 . A A . 38 LEU HD23 1 1 18 12206 1 1 38 LEU HG H -17.510 3.061 5.564 1.00 . A A . 38 LEU HG 1 1 18 12207 1 1 38 LEU N N -15.356 3.391 6.165 1.00 . A A . 38 LEU N 1 1 18 12208 1 1 38 LEU O O -13.994 1.522 7.648 1.00 . A A . 38 LEU O 1 1 18 12209 1 1 39 PHE C C -14.723 -0.911 8.790 1.00 . A A . 39 PHE C 1 1 18 12210 1 1 39 PHE CA C -14.883 0.183 9.832 1.00 . A A . 39 PHE CA 1 1 18 12211 1 1 39 PHE CB C -15.742 -0.330 10.992 1.00 . A A . 39 PHE CB 1 1 18 12212 1 1 39 PHE CD1 C -13.820 -0.724 12.570 1.00 . A A . 39 PHE CD1 1 1 18 12213 1 1 39 PHE CD2 C -15.241 -2.599 11.982 1.00 . A A . 39 PHE CD2 1 1 18 12214 1 1 39 PHE CE1 C -13.050 -1.561 13.384 1.00 . A A . 39 PHE CE1 1 1 18 12215 1 1 39 PHE CE2 C -14.468 -3.437 12.798 1.00 . A A . 39 PHE CE2 1 1 18 12216 1 1 39 PHE CG C -14.915 -1.241 11.870 1.00 . A A . 39 PHE CG 1 1 18 12217 1 1 39 PHE CZ C -13.374 -2.919 13.497 1.00 . A A . 39 PHE CZ 1 1 18 12218 1 1 39 PHE H H -16.346 1.744 9.620 1.00 . A A . 39 PHE H 1 1 18 12219 1 1 39 PHE HA H -13.920 0.457 10.195 1.00 . A A . 39 PHE HA 1 1 18 12220 1 1 39 PHE HB2 H -16.095 0.508 11.574 1.00 . A A . 39 PHE HB2 1 1 18 12221 1 1 39 PHE HB3 H -16.588 -0.877 10.601 1.00 . A A . 39 PHE HB3 1 1 18 12222 1 1 39 PHE HD1 H -13.569 0.323 12.484 1.00 . A A . 39 PHE HD1 1 1 18 12223 1 1 39 PHE HD2 H -16.086 -2.999 11.443 1.00 . A A . 39 PHE HD2 1 1 18 12224 1 1 39 PHE HE1 H -12.205 -1.160 13.923 1.00 . A A . 39 PHE HE1 1 1 18 12225 1 1 39 PHE HE2 H -14.719 -4.484 12.886 1.00 . A A . 39 PHE HE2 1 1 18 12226 1 1 39 PHE HZ H -12.778 -3.565 14.125 1.00 . A A . 39 PHE HZ 1 1 18 12227 1 1 39 PHE N N -15.533 1.378 9.218 1.00 . A A . 39 PHE N 1 1 18 12228 1 1 39 PHE O O -13.693 -1.545 8.686 1.00 . A A . 39 PHE O 1 1 18 12229 1 1 40 THR C C -14.697 -1.706 5.868 1.00 . A A . 40 THR C 1 1 18 12230 1 1 40 THR CA C -15.634 -2.192 6.972 1.00 . A A . 40 THR CA 1 1 18 12231 1 1 40 THR CB C -17.021 -2.484 6.389 1.00 . A A . 40 THR CB 1 1 18 12232 1 1 40 THR CG2 C -16.914 -3.602 5.352 1.00 . A A . 40 THR CG2 1 1 18 12233 1 1 40 THR H H -16.541 -0.608 8.124 1.00 . A A . 40 THR H 1 1 18 12234 1 1 40 THR HA H -15.230 -3.094 7.408 1.00 . A A . 40 THR HA 1 1 18 12235 1 1 40 THR HB H -17.409 -1.596 5.914 1.00 . A A . 40 THR HB 1 1 18 12236 1 1 40 THR HG1 H -17.501 -3.642 7.877 1.00 . A A . 40 THR HG1 1 1 18 12237 1 1 40 THR HG21 H -16.403 -4.450 5.785 1.00 . A A . 40 THR HG21 1 1 18 12238 1 1 40 THR HG22 H -16.360 -3.246 4.496 1.00 . A A . 40 THR HG22 1 1 18 12239 1 1 40 THR HG23 H -17.904 -3.900 5.040 1.00 . A A . 40 THR HG23 1 1 18 12240 1 1 40 THR N N -15.730 -1.137 8.018 1.00 . A A . 40 THR N 1 1 18 12241 1 1 40 THR O O -14.503 -0.521 5.679 1.00 . A A . 40 THR O 1 1 18 12242 1 1 40 THR OG1 O -17.895 -2.885 7.436 1.00 . A A . 40 THR OG1 1 1 18 12243 1 1 41 GLY C C -11.908 -3.088 4.121 1.00 . A A . 41 GLY C 1 1 18 12244 1 1 41 GLY CA C -13.170 -2.220 4.052 1.00 . A A . 41 GLY CA 1 1 18 12245 1 1 41 GLY H H -14.283 -3.561 5.320 1.00 . A A . 41 GLY H 1 1 18 12246 1 1 41 GLY HA2 H -13.653 -2.361 3.097 1.00 . A A . 41 GLY HA2 1 1 18 12247 1 1 41 GLY HA3 H -12.892 -1.180 4.164 1.00 . A A . 41 GLY HA3 1 1 18 12248 1 1 41 GLY N N -14.109 -2.615 5.143 1.00 . A A . 41 GLY N 1 1 18 12249 1 1 41 GLY O O -10.888 -2.761 3.544 1.00 . A A . 41 GLY O 1 1 18 12250 1 1 42 GLU C C -10.901 -6.183 3.846 1.00 . A A . 42 GLU C 1 1 18 12251 1 1 42 GLU CA C -10.781 -5.089 4.911 1.00 . A A . 42 GLU CA 1 1 18 12252 1 1 42 GLU CB C -10.732 -5.720 6.306 1.00 . A A . 42 GLU CB 1 1 18 12253 1 1 42 GLU CD C -9.412 -7.186 7.842 1.00 . A A . 42 GLU CD 1 1 18 12254 1 1 42 GLU CG C -9.510 -6.633 6.419 1.00 . A A . 42 GLU CG 1 1 18 12255 1 1 42 GLU H H -12.798 -4.446 5.265 1.00 . A A . 42 GLU H 1 1 18 12256 1 1 42 GLU HA H -9.882 -4.515 4.742 1.00 . A A . 42 GLU HA 1 1 18 12257 1 1 42 GLU HB2 H -10.666 -4.938 7.050 1.00 . A A . 42 GLU HB2 1 1 18 12258 1 1 42 GLU HB3 H -11.628 -6.299 6.473 1.00 . A A . 42 GLU HB3 1 1 18 12259 1 1 42 GLU HG2 H -9.610 -7.452 5.721 1.00 . A A . 42 GLU HG2 1 1 18 12260 1 1 42 GLU HG3 H -8.618 -6.069 6.190 1.00 . A A . 42 GLU HG3 1 1 18 12261 1 1 42 GLU N N -11.968 -4.196 4.814 1.00 . A A . 42 GLU N 1 1 18 12262 1 1 42 GLU O O -11.899 -6.874 3.761 1.00 . A A . 42 GLU O 1 1 18 12263 1 1 42 GLU OE1 O -10.026 -6.610 8.725 1.00 . A A . 42 GLU OE1 1 1 18 12264 1 1 42 GLU OE2 O -8.713 -8.168 8.026 1.00 . A A . 42 GLU OE2 1 1 18 12265 1 1 43 CYS C C -9.960 -8.767 2.593 1.00 . A A . 43 CYS C 1 1 18 12266 1 1 43 CYS CA C -9.957 -7.374 1.956 1.00 . A A . 43 CYS CA 1 1 18 12267 1 1 43 CYS CB C -8.755 -7.208 1.026 1.00 . A A . 43 CYS CB 1 1 18 12268 1 1 43 CYS H H -9.106 -5.762 3.106 1.00 . A A . 43 CYS H 1 1 18 12269 1 1 43 CYS HXT H -9.266 -8.017 4.125 1.00 . A A . 43 CYS HXT 1 1 18 12270 1 1 43 CYS HA H -10.856 -7.236 1.381 1.00 . A A . 43 CYS HA 1 1 18 12271 1 1 43 CYS HB2 H -9.091 -6.824 0.074 1.00 . A A . 43 CYS HB2 1 1 18 12272 1 1 43 CYS HB3 H -8.071 -6.513 1.464 1.00 . A A . 43 CYS HB3 1 1 18 12273 1 1 43 CYS N N -9.897 -6.335 3.025 1.00 . A A . 43 CYS N 1 1 18 12274 1 1 43 CYS O O -10.572 -9.657 2.023 1.00 . A A . 43 CYS O 1 1 18 12275 1 1 43 CYS OXT O -9.351 -8.921 3.640 1.00 . A A . 43 CYS OXT 1 1 18 12276 1 1 43 CYS SG S -7.924 -8.795 0.764 1.00 . A A . 43 CYS SG 1 1 19 12277 1 1 1 CYS C C 4.231 -8.144 0.616 1.00 . A A . 1 CYS C 1 1 19 12278 1 1 1 CYS CA C 4.116 -9.002 -0.657 1.00 . A A . 1 CYS CA 1 1 19 12279 1 1 1 CYS CB C 2.690 -8.923 -1.211 1.00 . A A . 1 CYS CB 1 1 19 12280 1 1 1 CYS H1 H 5.398 -10.484 0.038 1.00 . A A . 1 CYS H1 1 1 19 12281 1 1 1 CYS H2 H 3.777 -10.780 0.366 1.00 . A A . 1 CYS H2 1 1 19 12282 1 1 1 CYS H3 H 4.372 -10.995 -1.192 1.00 . A A . 1 CYS H3 1 1 19 12283 1 1 1 CYS HA H 4.811 -8.634 -1.396 1.00 . A A . 1 CYS HA 1 1 19 12284 1 1 1 CYS HB2 H 2.306 -7.935 -1.049 1.00 . A A . 1 CYS HB2 1 1 19 12285 1 1 1 CYS HB3 H 2.697 -9.135 -2.272 1.00 . A A . 1 CYS HB3 1 1 19 12286 1 1 1 CYS N N 4.440 -10.425 -0.336 1.00 . A A . 1 CYS N 1 1 19 12287 1 1 1 CYS O O 4.277 -8.655 1.716 1.00 . A A . 1 CYS O 1 1 19 12288 1 1 1 CYS SG S 1.641 -10.135 -0.368 1.00 . A A . 1 CYS SG 1 1 19 12289 1 1 2 GLY C C 3.258 -6.151 2.641 1.00 . A A . 2 GLY C 1 1 19 12290 1 1 2 GLY CA C 4.439 -5.966 1.674 1.00 . A A . 2 GLY CA 1 1 19 12291 1 1 2 GLY H H 4.281 -6.442 -0.426 1.00 . A A . 2 GLY H 1 1 19 12292 1 1 2 GLY HA2 H 5.358 -6.214 2.181 1.00 . A A . 2 GLY HA2 1 1 19 12293 1 1 2 GLY HA3 H 4.478 -4.933 1.358 1.00 . A A . 2 GLY HA3 1 1 19 12294 1 1 2 GLY N N 4.299 -6.843 0.473 1.00 . A A . 2 GLY N 1 1 19 12295 1 1 2 GLY O O 3.307 -6.959 3.546 1.00 . A A . 2 GLY O 1 1 19 12296 1 1 3 SER C C 1.214 -4.534 4.591 1.00 . A A . 3 SER C 1 1 19 12297 1 1 3 SER CA C 1.019 -5.445 3.374 1.00 . A A . 3 SER CA 1 1 19 12298 1 1 3 SER CB C 0.806 -6.878 3.871 1.00 . A A . 3 SER CB 1 1 19 12299 1 1 3 SER H H 2.232 -4.716 1.747 1.00 . A A . 3 SER H 1 1 19 12300 1 1 3 SER HA H 0.144 -5.124 2.831 1.00 . A A . 3 SER HA 1 1 19 12301 1 1 3 SER HB2 H 1.136 -7.572 3.126 1.00 . A A . 3 SER HB2 1 1 19 12302 1 1 3 SER HB3 H 1.375 -7.035 4.782 1.00 . A A . 3 SER HB3 1 1 19 12303 1 1 3 SER HG H -0.891 -7.775 3.540 1.00 . A A . 3 SER HG 1 1 19 12304 1 1 3 SER N N 2.216 -5.376 2.466 1.00 . A A . 3 SER N 1 1 19 12305 1 1 3 SER O O 2.160 -3.775 4.678 1.00 . A A . 3 SER O 1 1 19 12306 1 1 3 SER OG O -0.577 -7.084 4.129 1.00 . A A . 3 SER OG 1 1 19 12307 1 1 4 LYS C C 1.817 -3.721 7.274 1.00 . A A . 4 LYS C 1 1 19 12308 1 1 4 LYS CA C 0.378 -3.737 6.737 1.00 . A A . 4 LYS CA 1 1 19 12309 1 1 4 LYS CB C -0.620 -4.301 7.758 1.00 . A A . 4 LYS CB 1 1 19 12310 1 1 4 LYS CD C -1.521 -4.175 10.068 1.00 . A A . 4 LYS CD 1 1 19 12311 1 1 4 LYS CE C -1.246 -3.677 11.486 1.00 . A A . 4 LYS CE 1 1 19 12312 1 1 4 LYS CG C -0.394 -3.718 9.145 1.00 . A A . 4 LYS CG 1 1 19 12313 1 1 4 LYS H H -0.456 -5.209 5.411 1.00 . A A . 4 LYS H 1 1 19 12314 1 1 4 LYS HA H 0.087 -2.732 6.476 1.00 . A A . 4 LYS HA 1 1 19 12315 1 1 4 LYS HB2 H -1.619 -4.056 7.441 1.00 . A A . 4 LYS HB2 1 1 19 12316 1 1 4 LYS HB3 H -0.516 -5.375 7.803 1.00 . A A . 4 LYS HB3 1 1 19 12317 1 1 4 LYS HD2 H -2.461 -3.766 9.717 1.00 . A A . 4 LYS HD2 1 1 19 12318 1 1 4 LYS HD3 H -1.575 -5.252 10.067 1.00 . A A . 4 LYS HD3 1 1 19 12319 1 1 4 LYS HE2 H -0.214 -3.878 11.748 1.00 . A A . 4 LYS HE2 1 1 19 12320 1 1 4 LYS HE3 H -1.428 -2.615 11.537 1.00 . A A . 4 LYS HE3 1 1 19 12321 1 1 4 LYS HG2 H 0.545 -4.080 9.532 1.00 . A A . 4 LYS HG2 1 1 19 12322 1 1 4 LYS HG3 H -0.382 -2.641 9.093 1.00 . A A . 4 LYS HG3 1 1 19 12323 1 1 4 LYS HZ1 H -1.608 -5.110 12.956 1.00 . A A . 4 LYS HZ1 1 1 19 12324 1 1 4 LYS HZ2 H -2.924 -4.838 11.922 1.00 . A A . 4 LYS HZ2 1 1 19 12325 1 1 4 LYS HZ3 H -2.539 -3.699 13.123 1.00 . A A . 4 LYS HZ3 1 1 19 12326 1 1 4 LYS N N 0.301 -4.597 5.521 1.00 . A A . 4 LYS N 1 1 19 12327 1 1 4 LYS NZ N -2.147 -4.385 12.444 1.00 . A A . 4 LYS NZ 1 1 19 12328 1 1 4 LYS O O 2.429 -4.749 7.475 1.00 . A A . 4 LYS O 1 1 19 12329 1 1 5 ARG C C 4.620 -3.397 7.084 1.00 . A A . 5 ARG C 1 1 19 12330 1 1 5 ARG CA C 3.792 -2.437 7.934 1.00 . A A . 5 ARG CA 1 1 19 12331 1 1 5 ARG CB C 3.925 -2.808 9.428 1.00 . A A . 5 ARG CB 1 1 19 12332 1 1 5 ARG CD C 2.423 -1.380 10.878 1.00 . A A . 5 ARG CD 1 1 19 12333 1 1 5 ARG CG C 2.565 -2.708 10.141 1.00 . A A . 5 ARG CG 1 1 19 12334 1 1 5 ARG CZ C 1.539 -1.008 13.111 1.00 . A A . 5 ARG CZ 1 1 19 12335 1 1 5 ARG H H 1.873 -1.726 7.258 1.00 . A A . 5 ARG H 1 1 19 12336 1 1 5 ARG HA H 4.149 -1.426 7.777 1.00 . A A . 5 ARG HA 1 1 19 12337 1 1 5 ARG HB2 H 4.297 -3.819 9.515 1.00 . A A . 5 ARG HB2 1 1 19 12338 1 1 5 ARG HB3 H 4.626 -2.134 9.898 1.00 . A A . 5 ARG HB3 1 1 19 12339 1 1 5 ARG HD2 H 3.364 -1.113 11.332 1.00 . A A . 5 ARG HD2 1 1 19 12340 1 1 5 ARG HD3 H 2.124 -0.610 10.180 1.00 . A A . 5 ARG HD3 1 1 19 12341 1 1 5 ARG HE H 0.557 -2.050 11.731 1.00 . A A . 5 ARG HE 1 1 19 12342 1 1 5 ARG HG2 H 1.781 -2.779 9.422 1.00 . A A . 5 ARG HG2 1 1 19 12343 1 1 5 ARG HG3 H 2.473 -3.518 10.850 1.00 . A A . 5 ARG HG3 1 1 19 12344 1 1 5 ARG HH11 H 3.302 -0.173 12.663 1.00 . A A . 5 ARG HH11 1 1 19 12345 1 1 5 ARG HH12 H 2.729 0.099 14.275 1.00 . A A . 5 ARG HH12 1 1 19 12346 1 1 5 ARG HH21 H -0.177 -1.736 13.842 1.00 . A A . 5 ARG HH21 1 1 19 12347 1 1 5 ARG HH22 H 0.760 -0.784 14.942 1.00 . A A . 5 ARG HH22 1 1 19 12348 1 1 5 ARG N N 2.376 -2.541 7.463 1.00 . A A . 5 ARG N 1 1 19 12349 1 1 5 ARG NE N 1.371 -1.534 11.927 1.00 . A A . 5 ARG NE 1 1 19 12350 1 1 5 ARG NH1 N 2.608 -0.307 13.370 1.00 . A A . 5 ARG NH1 1 1 19 12351 1 1 5 ARG NH2 N 0.637 -1.191 14.037 1.00 . A A . 5 ARG NH2 1 1 19 12352 1 1 5 ARG O O 4.889 -4.512 7.477 1.00 . A A . 5 ARG O 1 1 19 12353 1 1 6 ALA C C 6.105 -3.193 3.701 1.00 . A A . 6 ALA C 1 1 19 12354 1 1 6 ALA CA C 5.757 -3.898 5.010 1.00 . A A . 6 ALA CA 1 1 19 12355 1 1 6 ALA CB C 4.877 -5.098 4.683 1.00 . A A . 6 ALA CB 1 1 19 12356 1 1 6 ALA H H 4.736 -2.089 5.589 1.00 . A A . 6 ALA H 1 1 19 12357 1 1 6 ALA HA H 6.658 -4.229 5.504 1.00 . A A . 6 ALA HA 1 1 19 12358 1 1 6 ALA HB1 H 4.147 -4.802 3.942 1.00 . A A . 6 ALA HB1 1 1 19 12359 1 1 6 ALA HB2 H 4.368 -5.434 5.574 1.00 . A A . 6 ALA HB2 1 1 19 12360 1 1 6 ALA HB3 H 5.486 -5.896 4.294 1.00 . A A . 6 ALA HB3 1 1 19 12361 1 1 6 ALA N N 4.991 -2.982 5.901 1.00 . A A . 6 ALA N 1 1 19 12362 1 1 6 ALA O O 5.256 -2.654 3.021 1.00 . A A . 6 ALA O 1 1 19 12363 1 1 7 TRP C C 7.031 -3.018 0.881 1.00 . A A . 7 TRP C 1 1 19 12364 1 1 7 TRP CA C 7.826 -2.539 2.104 1.00 . A A . 7 TRP CA 1 1 19 12365 1 1 7 TRP CB C 9.309 -2.868 1.933 1.00 . A A . 7 TRP CB 1 1 19 12366 1 1 7 TRP CD1 C 9.923 -1.347 0.010 1.00 . A A . 7 TRP CD1 1 1 19 12367 1 1 7 TRP CD2 C 10.139 -3.525 -0.503 1.00 . A A . 7 TRP CD2 1 1 19 12368 1 1 7 TRP CE2 C 10.518 -2.800 -1.655 1.00 . A A . 7 TRP CE2 1 1 19 12369 1 1 7 TRP CE3 C 10.183 -4.931 -0.557 1.00 . A A . 7 TRP CE3 1 1 19 12370 1 1 7 TRP CG C 9.763 -2.579 0.539 1.00 . A A . 7 TRP CG 1 1 19 12371 1 1 7 TRP CH2 C 10.973 -4.844 -2.859 1.00 . A A . 7 TRP CH2 1 1 19 12372 1 1 7 TRP CZ2 C 10.932 -3.446 -2.823 1.00 . A A . 7 TRP CZ2 1 1 19 12373 1 1 7 TRP CZ3 C 10.598 -5.585 -1.729 1.00 . A A . 7 TRP CZ3 1 1 19 12374 1 1 7 TRP H H 8.015 -3.645 3.935 1.00 . A A . 7 TRP H 1 1 19 12375 1 1 7 TRP HA H 7.708 -1.476 2.205 1.00 . A A . 7 TRP HA 1 1 19 12376 1 1 7 TRP HB2 H 9.885 -2.274 2.626 1.00 . A A . 7 TRP HB2 1 1 19 12377 1 1 7 TRP HB3 H 9.463 -3.917 2.149 1.00 . A A . 7 TRP HB3 1 1 19 12378 1 1 7 TRP HD1 H 9.734 -0.416 0.522 1.00 . A A . 7 TRP HD1 1 1 19 12379 1 1 7 TRP HE1 H 10.567 -0.732 -1.900 1.00 . A A . 7 TRP HE1 1 1 19 12380 1 1 7 TRP HE3 H 9.898 -5.512 0.308 1.00 . A A . 7 TRP HE3 1 1 19 12381 1 1 7 TRP HH2 H 11.292 -5.354 -3.757 1.00 . A A . 7 TRP HH2 1 1 19 12382 1 1 7 TRP HZ2 H 11.221 -2.871 -3.691 1.00 . A A . 7 TRP HZ2 1 1 19 12383 1 1 7 TRP HZ3 H 10.631 -6.665 -1.758 1.00 . A A . 7 TRP HZ3 1 1 19 12384 1 1 7 TRP N N 7.361 -3.199 3.356 1.00 . A A . 7 TRP N 1 1 19 12385 1 1 7 TRP NE1 N 10.372 -1.475 -1.293 1.00 . A A . 7 TRP NE1 1 1 19 12386 1 1 7 TRP O O 6.735 -4.185 0.731 1.00 . A A . 7 TRP O 1 1 19 12387 1 1 8 CYS C C 6.727 -1.992 -2.460 1.00 . A A . 8 CYS C 1 1 19 12388 1 1 8 CYS CA C 5.927 -2.464 -1.234 1.00 . A A . 8 CYS CA 1 1 19 12389 1 1 8 CYS CB C 4.565 -1.742 -1.204 1.00 . A A . 8 CYS CB 1 1 19 12390 1 1 8 CYS H H 6.955 -1.166 0.161 1.00 . A A . 8 CYS H 1 1 19 12391 1 1 8 CYS HA H 5.773 -3.537 -1.282 1.00 . A A . 8 CYS HA 1 1 19 12392 1 1 8 CYS HB2 H 3.863 -2.317 -0.624 1.00 . A A . 8 CYS HB2 1 1 19 12393 1 1 8 CYS HB3 H 4.690 -0.769 -0.752 1.00 . A A . 8 CYS HB3 1 1 19 12394 1 1 8 CYS N N 6.695 -2.103 0.050 1.00 . A A . 8 CYS N 1 1 19 12395 1 1 8 CYS O O 7.695 -1.270 -2.333 1.00 . A A . 8 CYS O 1 1 19 12396 1 1 8 CYS SG S 3.934 -1.542 -2.893 1.00 . A A . 8 CYS SG 1 1 19 12397 1 1 9 LYS C C 6.064 -1.140 -5.753 1.00 . A A . 9 LYS C 1 1 19 12398 1 1 9 LYS CA C 7.060 -1.880 -4.863 1.00 . A A . 9 LYS CA 1 1 19 12399 1 1 9 LYS CB C 7.682 -3.043 -5.642 1.00 . A A . 9 LYS CB 1 1 19 12400 1 1 9 LYS CD C 9.860 -1.880 -6.145 1.00 . A A . 9 LYS CD 1 1 19 12401 1 1 9 LYS CE C 10.138 -0.468 -6.697 1.00 . A A . 9 LYS CE 1 1 19 12402 1 1 9 LYS CG C 8.571 -2.471 -6.757 1.00 . A A . 9 LYS CG 1 1 19 12403 1 1 9 LYS H H 5.532 -2.933 -3.747 1.00 . A A . 9 LYS H 1 1 19 12404 1 1 9 LYS HA H 7.834 -1.191 -4.560 1.00 . A A . 9 LYS HA 1 1 19 12405 1 1 9 LYS HB2 H 8.279 -3.649 -4.974 1.00 . A A . 9 LYS HB2 1 1 19 12406 1 1 9 LYS HB3 H 6.901 -3.647 -6.079 1.00 . A A . 9 LYS HB3 1 1 19 12407 1 1 9 LYS HD2 H 9.758 -1.826 -5.074 1.00 . A A . 9 LYS HD2 1 1 19 12408 1 1 9 LYS HD3 H 10.695 -2.524 -6.386 1.00 . A A . 9 LYS HD3 1 1 19 12409 1 1 9 LYS HE2 H 11.015 -0.488 -7.324 1.00 . A A . 9 LYS HE2 1 1 19 12410 1 1 9 LYS HE3 H 9.295 -0.117 -7.272 1.00 . A A . 9 LYS HE3 1 1 19 12411 1 1 9 LYS HG2 H 8.830 -3.263 -7.448 1.00 . A A . 9 LYS HG2 1 1 19 12412 1 1 9 LYS HG3 H 8.030 -1.701 -7.285 1.00 . A A . 9 LYS HG3 1 1 19 12413 1 1 9 LYS HZ1 H 10.578 1.415 -5.915 1.00 . A A . 9 LYS HZ1 1 1 19 12414 1 1 9 LYS HZ2 H 11.178 0.123 -4.991 1.00 . A A . 9 LYS HZ2 1 1 19 12415 1 1 9 LYS HZ3 H 9.520 0.494 -4.955 1.00 . A A . 9 LYS HZ3 1 1 19 12416 1 1 9 LYS N N 6.327 -2.365 -3.650 1.00 . A A . 9 LYS N 1 1 19 12417 1 1 9 LYS NZ N 10.371 0.463 -5.554 1.00 . A A . 9 LYS NZ 1 1 19 12418 1 1 9 LYS O O 6.375 -0.133 -6.360 1.00 . A A . 9 LYS O 1 1 19 12419 1 1 10 GLU C C 2.475 -1.213 -5.899 1.00 . A A . 10 GLU C 1 1 19 12420 1 1 10 GLU CA C 3.797 -0.963 -6.610 1.00 . A A . 10 GLU CA 1 1 19 12421 1 1 10 GLU CB C 3.724 -1.548 -8.019 1.00 . A A . 10 GLU CB 1 1 19 12422 1 1 10 GLU CD C 4.946 -1.892 -10.163 1.00 . A A . 10 GLU CD 1 1 19 12423 1 1 10 GLU CG C 5.070 -1.383 -8.727 1.00 . A A . 10 GLU CG 1 1 19 12424 1 1 10 GLU H H 4.638 -2.425 -5.281 1.00 . A A . 10 GLU H 1 1 19 12425 1 1 10 GLU HA H 3.987 0.100 -6.662 1.00 . A A . 10 GLU HA 1 1 19 12426 1 1 10 GLU HB2 H 3.465 -2.590 -7.956 1.00 . A A . 10 GLU HB2 1 1 19 12427 1 1 10 GLU HB3 H 2.961 -1.026 -8.579 1.00 . A A . 10 GLU HB3 1 1 19 12428 1 1 10 GLU HG2 H 5.350 -0.338 -8.738 1.00 . A A . 10 GLU HG2 1 1 19 12429 1 1 10 GLU HG3 H 5.826 -1.955 -8.207 1.00 . A A . 10 GLU HG3 1 1 19 12430 1 1 10 GLU N N 4.857 -1.625 -5.804 1.00 . A A . 10 GLU N 1 1 19 12431 1 1 10 GLU O O 2.398 -2.009 -4.989 1.00 . A A . 10 GLU O 1 1 19 12432 1 1 10 GLU OE1 O 4.185 -1.304 -10.914 1.00 . A A . 10 GLU OE1 1 1 19 12433 1 1 10 GLU OE2 O 5.607 -2.866 -10.486 1.00 . A A . 10 GLU OE2 1 1 19 12434 1 1 11 LYS C C -0.248 -2.250 -5.753 1.00 . A A . 11 LYS C 1 1 19 12435 1 1 11 LYS CA C 0.128 -0.775 -5.631 1.00 . A A . 11 LYS CA 1 1 19 12436 1 1 11 LYS CB C -0.928 0.112 -6.298 1.00 . A A . 11 LYS CB 1 1 19 12437 1 1 11 LYS CD C -2.324 0.282 -4.197 1.00 . A A . 11 LYS CD 1 1 19 12438 1 1 11 LYS CE C -3.469 1.266 -3.945 1.00 . A A . 11 LYS CE 1 1 19 12439 1 1 11 LYS CG C -2.314 -0.123 -5.680 1.00 . A A . 11 LYS CG 1 1 19 12440 1 1 11 LYS H H 1.516 0.067 -7.050 1.00 . A A . 11 LYS H 1 1 19 12441 1 1 11 LYS HA H 0.221 -0.514 -4.588 1.00 . A A . 11 LYS HA 1 1 19 12442 1 1 11 LYS HB2 H -0.652 1.150 -6.165 1.00 . A A . 11 LYS HB2 1 1 19 12443 1 1 11 LYS HB3 H -0.966 -0.110 -7.353 1.00 . A A . 11 LYS HB3 1 1 19 12444 1 1 11 LYS HD2 H -2.469 -0.599 -3.588 1.00 . A A . 11 LYS HD2 1 1 19 12445 1 1 11 LYS HD3 H -1.387 0.751 -3.933 1.00 . A A . 11 LYS HD3 1 1 19 12446 1 1 11 LYS HE2 H -4.395 0.842 -4.305 1.00 . A A . 11 LYS HE2 1 1 19 12447 1 1 11 LYS HE3 H -3.551 1.465 -2.887 1.00 . A A . 11 LYS HE3 1 1 19 12448 1 1 11 LYS HG2 H -3.045 0.463 -6.220 1.00 . A A . 11 LYS HG2 1 1 19 12449 1 1 11 LYS HG3 H -2.567 -1.169 -5.767 1.00 . A A . 11 LYS HG3 1 1 19 12450 1 1 11 LYS HZ1 H -2.241 2.484 -5.100 1.00 . A A . 11 LYS HZ1 1 1 19 12451 1 1 11 LYS HZ2 H -3.214 3.333 -4.003 1.00 . A A . 11 LYS HZ2 1 1 19 12452 1 1 11 LYS HZ3 H -3.899 2.679 -5.414 1.00 . A A . 11 LYS HZ3 1 1 19 12453 1 1 11 LYS N N 1.436 -0.559 -6.303 1.00 . A A . 11 LYS N 1 1 19 12454 1 1 11 LYS NZ N -3.185 2.537 -4.670 1.00 . A A . 11 LYS NZ 1 1 19 12455 1 1 11 LYS O O -1.007 -2.780 -4.966 1.00 . A A . 11 LYS O 1 1 19 12456 1 1 12 LYS C C 1.033 -5.251 -6.246 1.00 . A A . 12 LYS C 1 1 19 12457 1 1 12 LYS CA C -0.016 -4.361 -6.939 1.00 . A A . 12 LYS CA 1 1 19 12458 1 1 12 LYS CB C -0.027 -4.663 -8.437 1.00 . A A . 12 LYS CB 1 1 19 12459 1 1 12 LYS CD C -0.336 -6.463 -10.145 1.00 . A A . 12 LYS CD 1 1 19 12460 1 1 12 LYS CE C -0.240 -7.971 -10.376 1.00 . A A . 12 LYS CE 1 1 19 12461 1 1 12 LYS CG C -0.186 -6.169 -8.652 1.00 . A A . 12 LYS CG 1 1 19 12462 1 1 12 LYS H H 0.898 -2.459 -7.356 1.00 . A A . 12 LYS H 1 1 19 12463 1 1 12 LYS HA H -0.992 -4.577 -6.530 1.00 . A A . 12 LYS HA 1 1 19 12464 1 1 12 LYS HB2 H -0.851 -4.142 -8.902 1.00 . A A . 12 LYS HB2 1 1 19 12465 1 1 12 LYS HB3 H 0.903 -4.334 -8.878 1.00 . A A . 12 LYS HB3 1 1 19 12466 1 1 12 LYS HD2 H -1.296 -6.104 -10.487 1.00 . A A . 12 LYS HD2 1 1 19 12467 1 1 12 LYS HD3 H 0.451 -5.965 -10.691 1.00 . A A . 12 LYS HD3 1 1 19 12468 1 1 12 LYS HE2 H -0.990 -8.479 -9.788 1.00 . A A . 12 LYS HE2 1 1 19 12469 1 1 12 LYS HE3 H -0.395 -8.186 -11.423 1.00 . A A . 12 LYS HE3 1 1 19 12470 1 1 12 LYS HG2 H 0.684 -6.684 -8.270 1.00 . A A . 12 LYS HG2 1 1 19 12471 1 1 12 LYS HG3 H -1.066 -6.514 -8.128 1.00 . A A . 12 LYS HG3 1 1 19 12472 1 1 12 LYS HZ1 H 1.602 -8.850 -10.787 1.00 . A A . 12 LYS HZ1 1 1 19 12473 1 1 12 LYS HZ2 H 1.025 -9.156 -9.221 1.00 . A A . 12 LYS HZ2 1 1 19 12474 1 1 12 LYS HZ3 H 1.663 -7.628 -9.608 1.00 . A A . 12 LYS HZ3 1 1 19 12475 1 1 12 LYS N N 0.286 -2.914 -6.741 1.00 . A A . 12 LYS N 1 1 19 12476 1 1 12 LYS NZ N 1.115 -8.438 -9.967 1.00 . A A . 12 LYS NZ 1 1 19 12477 1 1 12 LYS O O 0.726 -6.330 -5.784 1.00 . A A . 12 LYS O 1 1 19 12478 1 1 13 ASP C C 3.061 -5.863 -4.085 1.00 . A A . 13 ASP C 1 1 19 12479 1 1 13 ASP CA C 3.336 -5.667 -5.578 1.00 . A A . 13 ASP CA 1 1 19 12480 1 1 13 ASP CB C 4.685 -4.977 -5.778 1.00 . A A . 13 ASP CB 1 1 19 12481 1 1 13 ASP CG C 5.504 -5.743 -6.817 1.00 . A A . 13 ASP CG 1 1 19 12482 1 1 13 ASP H H 2.506 -3.964 -6.601 1.00 . A A . 13 ASP H 1 1 19 12483 1 1 13 ASP HA H 3.354 -6.634 -6.062 1.00 . A A . 13 ASP HA 1 1 19 12484 1 1 13 ASP HB2 H 4.520 -3.971 -6.124 1.00 . A A . 13 ASP HB2 1 1 19 12485 1 1 13 ASP HB3 H 5.220 -4.951 -4.845 1.00 . A A . 13 ASP HB3 1 1 19 12486 1 1 13 ASP N N 2.269 -4.827 -6.203 1.00 . A A . 13 ASP N 1 1 19 12487 1 1 13 ASP O O 3.735 -6.620 -3.412 1.00 . A A . 13 ASP O 1 1 19 12488 1 1 13 ASP OD1 O 5.378 -5.432 -7.991 1.00 . A A . 13 ASP OD1 1 1 19 12489 1 1 13 ASP OD2 O 6.240 -6.633 -6.424 1.00 . A A . 13 ASP OD2 1 1 19 12490 1 1 14 CYS C C 0.656 -6.389 -1.968 1.00 . A A . 14 CYS C 1 1 19 12491 1 1 14 CYS CA C 1.743 -5.330 -2.126 1.00 . A A . 14 CYS CA 1 1 19 12492 1 1 14 CYS CB C 1.254 -3.983 -1.606 1.00 . A A . 14 CYS CB 1 1 19 12493 1 1 14 CYS H H 1.551 -4.592 -4.135 1.00 . A A . 14 CYS H 1 1 19 12494 1 1 14 CYS HA H 2.624 -5.632 -1.578 1.00 . A A . 14 CYS HA 1 1 19 12495 1 1 14 CYS HB2 H 2.083 -3.319 -1.528 1.00 . A A . 14 CYS HB2 1 1 19 12496 1 1 14 CYS HB3 H 0.527 -3.572 -2.290 1.00 . A A . 14 CYS HB3 1 1 19 12497 1 1 14 CYS N N 2.078 -5.191 -3.570 1.00 . A A . 14 CYS N 1 1 19 12498 1 1 14 CYS O O -0.022 -6.737 -2.913 1.00 . A A . 14 CYS O 1 1 19 12499 1 1 14 CYS SG S 0.522 -4.158 0.023 1.00 . A A . 14 CYS SG 1 1 19 12500 1 1 15 CYS C C -1.876 -7.433 -1.023 1.00 . A A . 15 CYS C 1 1 19 12501 1 1 15 CYS CA C -0.519 -7.974 -0.601 1.00 . A A . 15 CYS CA 1 1 19 12502 1 1 15 CYS CB C -0.536 -8.384 0.868 1.00 . A A . 15 CYS CB 1 1 19 12503 1 1 15 CYS H H 1.049 -6.661 -0.036 1.00 . A A . 15 CYS H 1 1 19 12504 1 1 15 CYS HA H -0.275 -8.827 -1.210 1.00 . A A . 15 CYS HA 1 1 19 12505 1 1 15 CYS HB2 H -0.675 -7.510 1.490 1.00 . A A . 15 CYS HB2 1 1 19 12506 1 1 15 CYS HB3 H -1.340 -9.058 1.026 1.00 . A A . 15 CYS HB3 1 1 19 12507 1 1 15 CYS N N 0.495 -6.929 -0.790 1.00 . A A . 15 CYS N 1 1 19 12508 1 1 15 CYS O O -2.210 -6.291 -0.780 1.00 . A A . 15 CYS O 1 1 19 12509 1 1 15 CYS SG S 1.028 -9.192 1.309 1.00 . A A . 15 CYS SG 1 1 19 12510 1 1 16 CYS C C -4.779 -7.263 -0.925 1.00 . A A . 16 CYS C 1 1 19 12511 1 1 16 CYS CA C -3.977 -7.757 -2.127 1.00 . A A . 16 CYS CA 1 1 19 12512 1 1 16 CYS CB C -4.710 -8.908 -2.816 1.00 . A A . 16 CYS CB 1 1 19 12513 1 1 16 CYS H H -2.373 -9.152 -1.877 1.00 . A A . 16 CYS H 1 1 19 12514 1 1 16 CYS HA H -3.839 -6.946 -2.820 1.00 . A A . 16 CYS HA 1 1 19 12515 1 1 16 CYS HB2 H -4.262 -9.841 -2.510 1.00 . A A . 16 CYS HB2 1 1 19 12516 1 1 16 CYS HB3 H -5.741 -8.900 -2.526 1.00 . A A . 16 CYS HB3 1 1 19 12517 1 1 16 CYS N N -2.659 -8.238 -1.674 1.00 . A A . 16 CYS N 1 1 19 12518 1 1 16 CYS O O -4.912 -7.945 0.073 1.00 . A A . 16 CYS O 1 1 19 12519 1 1 16 CYS SG S -4.581 -8.751 -4.620 1.00 . A A . 16 CYS SG 1 1 19 12520 1 1 17 GLY C C -5.285 -4.474 0.875 1.00 . A A . 17 GLY C 1 1 19 12521 1 1 17 GLY CA C -6.109 -5.521 0.120 1.00 . A A . 17 GLY CA 1 1 19 12522 1 1 17 GLY H H -5.189 -5.542 -1.828 1.00 . A A . 17 GLY H 1 1 19 12523 1 1 17 GLY HA2 H -7.006 -5.057 -0.267 1.00 . A A . 17 GLY HA2 1 1 19 12524 1 1 17 GLY HA3 H -6.381 -6.316 0.799 1.00 . A A . 17 GLY HA3 1 1 19 12525 1 1 17 GLY N N -5.314 -6.074 -1.013 1.00 . A A . 17 GLY N 1 1 19 12526 1 1 17 GLY O O -5.772 -3.844 1.792 1.00 . A A . 17 GLY O 1 1 19 12527 1 1 18 TYR C C -2.788 -2.172 0.225 1.00 . A A . 18 TYR C 1 1 19 12528 1 1 18 TYR CA C -3.208 -3.260 1.215 1.00 . A A . 18 TYR CA 1 1 19 12529 1 1 18 TYR CB C -1.970 -3.943 1.798 1.00 . A A . 18 TYR CB 1 1 19 12530 1 1 18 TYR CD1 C -2.760 -6.204 2.543 1.00 . A A . 18 TYR CD1 1 1 19 12531 1 1 18 TYR CD2 C -2.473 -4.466 4.205 1.00 . A A . 18 TYR CD2 1 1 19 12532 1 1 18 TYR CE1 C -3.190 -7.089 3.539 1.00 . A A . 18 TYR CE1 1 1 19 12533 1 1 18 TYR CE2 C -2.900 -5.350 5.204 1.00 . A A . 18 TYR CE2 1 1 19 12534 1 1 18 TYR CG C -2.405 -4.896 2.877 1.00 . A A . 18 TYR CG 1 1 19 12535 1 1 18 TYR CZ C -3.261 -6.660 4.872 1.00 . A A . 18 TYR CZ 1 1 19 12536 1 1 18 TYR H H -3.643 -4.821 -0.271 1.00 . A A . 18 TYR H 1 1 19 12537 1 1 18 TYR HA H -3.780 -2.812 2.016 1.00 . A A . 18 TYR HA 1 1 19 12538 1 1 18 TYR HB2 H -1.471 -4.494 1.021 1.00 . A A . 18 TYR HB2 1 1 19 12539 1 1 18 TYR HB3 H -1.304 -3.204 2.212 1.00 . A A . 18 TYR HB3 1 1 19 12540 1 1 18 TYR HD1 H -2.699 -6.528 1.513 1.00 . A A . 18 TYR HD1 1 1 19 12541 1 1 18 TYR HD2 H -2.186 -3.455 4.457 1.00 . A A . 18 TYR HD2 1 1 19 12542 1 1 18 TYR HE1 H -3.467 -8.101 3.281 1.00 . A A . 18 TYR HE1 1 1 19 12543 1 1 18 TYR HE2 H -2.960 -5.020 6.226 1.00 . A A . 18 TYR HE2 1 1 19 12544 1 1 18 TYR HH H -3.705 -7.048 6.688 1.00 . A A . 18 TYR HH 1 1 19 12545 1 1 18 TYR N N -4.043 -4.277 0.507 1.00 . A A . 18 TYR N 1 1 19 12546 1 1 18 TYR O O -2.491 -2.445 -0.920 1.00 . A A . 18 TYR O 1 1 19 12547 1 1 18 TYR OH O -3.685 -7.529 5.857 1.00 . A A . 18 TYR OH 1 1 19 12548 1 1 19 ASN C C -0.882 0.395 -0.164 1.00 . A A . 19 ASN C 1 1 19 12549 1 1 19 ASN CA C -2.387 0.170 -0.270 1.00 . A A . 19 ASN CA 1 1 19 12550 1 1 19 ASN CB C -3.116 1.458 0.126 1.00 . A A . 19 ASN CB 1 1 19 12551 1 1 19 ASN CG C -2.363 2.152 1.265 1.00 . A A . 19 ASN CG 1 1 19 12552 1 1 19 ASN H H -3.027 -0.739 1.580 1.00 . A A . 19 ASN H 1 1 19 12553 1 1 19 ASN HA H -2.642 -0.095 -1.285 1.00 . A A . 19 ASN HA 1 1 19 12554 1 1 19 ASN HB2 H -3.163 2.120 -0.725 1.00 . A A . 19 ASN HB2 1 1 19 12555 1 1 19 ASN HB3 H -4.117 1.219 0.452 1.00 . A A . 19 ASN HB3 1 1 19 12556 1 1 19 ASN HD21 H -2.579 3.968 0.493 1.00 . A A . 19 ASN HD21 1 1 19 12557 1 1 19 ASN HD22 H -1.742 3.902 1.966 1.00 . A A . 19 ASN HD22 1 1 19 12558 1 1 19 ASN N N -2.773 -0.938 0.655 1.00 . A A . 19 ASN N 1 1 19 12559 1 1 19 ASN ND2 N -2.214 3.449 1.238 1.00 . A A . 19 ASN ND2 1 1 19 12560 1 1 19 ASN O O -0.309 0.265 0.891 1.00 . A A . 19 ASN O 1 1 19 12561 1 1 19 ASN OD1 O -1.886 1.503 2.175 1.00 . A A . 19 ASN OD1 1 1 19 12562 1 1 20 CYS C C 1.567 2.389 -0.946 1.00 . A A . 20 CYS C 1 1 19 12563 1 1 20 CYS CA C 1.220 0.929 -1.237 1.00 . A A . 20 CYS CA 1 1 19 12564 1 1 20 CYS CB C 1.754 0.542 -2.607 1.00 . A A . 20 CYS CB 1 1 19 12565 1 1 20 CYS H H -0.724 0.808 -2.098 1.00 . A A . 20 CYS H 1 1 19 12566 1 1 20 CYS HA H 1.666 0.295 -0.492 1.00 . A A . 20 CYS HA 1 1 19 12567 1 1 20 CYS HB2 H 1.061 0.865 -3.361 1.00 . A A . 20 CYS HB2 1 1 19 12568 1 1 20 CYS HB3 H 2.692 1.009 -2.774 1.00 . A A . 20 CYS HB3 1 1 19 12569 1 1 20 CYS N N -0.244 0.719 -1.254 1.00 . A A . 20 CYS N 1 1 19 12570 1 1 20 CYS O O 0.988 3.303 -1.499 1.00 . A A . 20 CYS O 1 1 19 12571 1 1 20 CYS SG S 1.941 -1.248 -2.684 1.00 . A A . 20 CYS SG 1 1 19 12572 1 1 21 VAL C C 4.428 4.149 -0.209 1.00 . A A . 21 VAL C 1 1 19 12573 1 1 21 VAL CA C 2.974 3.989 0.235 1.00 . A A . 21 VAL CA 1 1 19 12574 1 1 21 VAL CB C 2.863 4.210 1.750 1.00 . A A . 21 VAL CB 1 1 19 12575 1 1 21 VAL CG1 C 3.598 5.494 2.155 1.00 . A A . 21 VAL CG1 1 1 19 12576 1 1 21 VAL CG2 C 1.385 4.331 2.136 1.00 . A A . 21 VAL CG2 1 1 19 12577 1 1 21 VAL H H 2.998 1.839 0.316 1.00 . A A . 21 VAL H 1 1 19 12578 1 1 21 VAL HA H 2.349 4.704 -0.283 1.00 . A A . 21 VAL HA 1 1 19 12579 1 1 21 VAL HB H 3.303 3.369 2.268 1.00 . A A . 21 VAL HB 1 1 19 12580 1 1 21 VAL HG11 H 4.590 5.499 1.725 1.00 . A A . 21 VAL HG11 1 1 19 12581 1 1 21 VAL HG12 H 3.679 5.537 3.231 1.00 . A A . 21 VAL HG12 1 1 19 12582 1 1 21 VAL HG13 H 3.047 6.353 1.799 1.00 . A A . 21 VAL HG13 1 1 19 12583 1 1 21 VAL HG21 H 1.063 5.357 2.022 1.00 . A A . 21 VAL HG21 1 1 19 12584 1 1 21 VAL HG22 H 1.255 4.027 3.163 1.00 . A A . 21 VAL HG22 1 1 19 12585 1 1 21 VAL HG23 H 0.791 3.695 1.495 1.00 . A A . 21 VAL HG23 1 1 19 12586 1 1 21 VAL N N 2.537 2.603 -0.095 1.00 . A A . 21 VAL N 1 1 19 12587 1 1 21 VAL O O 5.338 3.703 0.459 1.00 . A A . 21 VAL O 1 1 19 12588 1 1 22 TYR C C 6.752 6.028 -0.967 1.00 . A A . 22 TYR C 1 1 19 12589 1 1 22 TYR CA C 6.052 4.966 -1.816 1.00 . A A . 22 TYR CA 1 1 19 12590 1 1 22 TYR CB C 6.001 5.407 -3.284 1.00 . A A . 22 TYR CB 1 1 19 12591 1 1 22 TYR CD1 C 8.473 4.929 -3.521 1.00 . A A . 22 TYR CD1 1 1 19 12592 1 1 22 TYR CD2 C 7.566 6.943 -4.522 1.00 . A A . 22 TYR CD2 1 1 19 12593 1 1 22 TYR CE1 C 9.747 5.270 -3.994 1.00 . A A . 22 TYR CE1 1 1 19 12594 1 1 22 TYR CE2 C 8.838 7.284 -4.994 1.00 . A A . 22 TYR CE2 1 1 19 12595 1 1 22 TYR CG C 7.382 5.765 -3.784 1.00 . A A . 22 TYR CG 1 1 19 12596 1 1 22 TYR CZ C 9.929 6.447 -4.731 1.00 . A A . 22 TYR CZ 1 1 19 12597 1 1 22 TYR H H 3.865 5.156 -1.873 1.00 . A A . 22 TYR H 1 1 19 12598 1 1 22 TYR HA H 6.582 4.032 -1.736 1.00 . A A . 22 TYR HA 1 1 19 12599 1 1 22 TYR HB2 H 5.602 4.601 -3.883 1.00 . A A . 22 TYR HB2 1 1 19 12600 1 1 22 TYR HB3 H 5.354 6.267 -3.373 1.00 . A A . 22 TYR HB3 1 1 19 12601 1 1 22 TYR HD1 H 8.337 4.022 -2.956 1.00 . A A . 22 TYR HD1 1 1 19 12602 1 1 22 TYR HD2 H 6.724 7.589 -4.726 1.00 . A A . 22 TYR HD2 1 1 19 12603 1 1 22 TYR HE1 H 10.588 4.626 -3.792 1.00 . A A . 22 TYR HE1 1 1 19 12604 1 1 22 TYR HE2 H 8.977 8.191 -5.562 1.00 . A A . 22 TYR HE2 1 1 19 12605 1 1 22 TYR HH H 11.695 5.972 -5.274 1.00 . A A . 22 TYR HH 1 1 19 12606 1 1 22 TYR N N 4.654 4.782 -1.327 1.00 . A A . 22 TYR N 1 1 19 12607 1 1 22 TYR O O 6.377 7.184 -0.973 1.00 . A A . 22 TYR O 1 1 19 12608 1 1 22 TYR OH O 11.184 6.780 -5.197 1.00 . A A . 22 TYR OH 1 1 19 12609 1 1 23 ALA C C 9.701 7.189 -0.089 1.00 . A A . 23 ALA C 1 1 19 12610 1 1 23 ALA CA C 8.474 6.636 0.635 1.00 . A A . 23 ALA CA 1 1 19 12611 1 1 23 ALA CB C 8.915 5.971 1.943 1.00 . A A . 23 ALA CB 1 1 19 12612 1 1 23 ALA H H 8.045 4.704 -0.227 1.00 . A A . 23 ALA H 1 1 19 12613 1 1 23 ALA HA H 7.804 7.452 0.865 1.00 . A A . 23 ALA HA 1 1 19 12614 1 1 23 ALA HB1 H 8.176 5.245 2.246 1.00 . A A . 23 ALA HB1 1 1 19 12615 1 1 23 ALA HB2 H 9.016 6.725 2.710 1.00 . A A . 23 ALA HB2 1 1 19 12616 1 1 23 ALA HB3 H 9.866 5.480 1.797 1.00 . A A . 23 ALA HB3 1 1 19 12617 1 1 23 ALA N N 7.762 5.644 -0.225 1.00 . A A . 23 ALA N 1 1 19 12618 1 1 23 ALA O O 10.798 6.684 0.047 1.00 . A A . 23 ALA O 1 1 19 12619 1 1 24 TRP C C 11.823 9.121 -0.553 1.00 . A A . 24 TRP C 1 1 19 12620 1 1 24 TRP CA C 10.681 8.855 -1.544 1.00 . A A . 24 TRP CA 1 1 19 12621 1 1 24 TRP CB C 10.243 10.178 -2.179 1.00 . A A . 24 TRP CB 1 1 19 12622 1 1 24 TRP CD1 C 9.244 10.693 0.110 1.00 . A A . 24 TRP CD1 1 1 19 12623 1 1 24 TRP CD2 C 8.814 12.291 -1.417 1.00 . A A . 24 TRP CD2 1 1 19 12624 1 1 24 TRP CE2 C 8.203 12.704 -0.210 1.00 . A A . 24 TRP CE2 1 1 19 12625 1 1 24 TRP CE3 C 8.692 13.126 -2.542 1.00 . A A . 24 TRP CE3 1 1 19 12626 1 1 24 TRP CG C 9.470 11.008 -1.194 1.00 . A A . 24 TRP CG 1 1 19 12627 1 1 24 TRP CH2 C 7.384 14.721 -1.249 1.00 . A A . 24 TRP CH2 1 1 19 12628 1 1 24 TRP CZ2 C 7.494 13.903 -0.123 1.00 . A A . 24 TRP CZ2 1 1 19 12629 1 1 24 TRP CZ3 C 7.981 14.334 -2.457 1.00 . A A . 24 TRP CZ3 1 1 19 12630 1 1 24 TRP H H 8.636 8.642 -0.911 1.00 . A A . 24 TRP H 1 1 19 12631 1 1 24 TRP HA H 11.026 8.185 -2.316 1.00 . A A . 24 TRP HA 1 1 19 12632 1 1 24 TRP HB2 H 11.116 10.726 -2.498 1.00 . A A . 24 TRP HB2 1 1 19 12633 1 1 24 TRP HB3 H 9.620 9.968 -3.037 1.00 . A A . 24 TRP HB3 1 1 19 12634 1 1 24 TRP HD1 H 9.591 9.808 0.615 1.00 . A A . 24 TRP HD1 1 1 19 12635 1 1 24 TRP HE1 H 8.191 11.715 1.622 1.00 . A A . 24 TRP HE1 1 1 19 12636 1 1 24 TRP HE3 H 9.150 12.838 -3.476 1.00 . A A . 24 TRP HE3 1 1 19 12637 1 1 24 TRP HH2 H 6.838 15.651 -1.191 1.00 . A A . 24 TRP HH2 1 1 19 12638 1 1 24 TRP HZ2 H 7.036 14.197 0.810 1.00 . A A . 24 TRP HZ2 1 1 19 12639 1 1 24 TRP HZ3 H 7.894 14.968 -3.327 1.00 . A A . 24 TRP HZ3 1 1 19 12640 1 1 24 TRP N N 9.527 8.240 -0.835 1.00 . A A . 24 TRP N 1 1 19 12641 1 1 24 TRP NE1 N 8.492 11.700 0.688 1.00 . A A . 24 TRP NE1 1 1 19 12642 1 1 24 TRP O O 12.874 9.601 -0.924 1.00 . A A . 24 TRP O 1 1 19 12643 1 1 25 TYR C C 13.934 8.278 1.370 1.00 . A A . 25 TYR C 1 1 19 12644 1 1 25 TYR CA C 12.682 9.083 1.722 1.00 . A A . 25 TYR CA 1 1 19 12645 1 1 25 TYR CB C 12.157 8.647 3.097 1.00 . A A . 25 TYR CB 1 1 19 12646 1 1 25 TYR CD1 C 11.066 10.781 3.863 1.00 . A A . 25 TYR CD1 1 1 19 12647 1 1 25 TYR CD2 C 13.037 9.996 5.038 1.00 . A A . 25 TYR CD2 1 1 19 12648 1 1 25 TYR CE1 C 10.996 11.886 4.720 1.00 . A A . 25 TYR CE1 1 1 19 12649 1 1 25 TYR CE2 C 12.968 11.101 5.893 1.00 . A A . 25 TYR CE2 1 1 19 12650 1 1 25 TYR CG C 12.086 9.837 4.022 1.00 . A A . 25 TYR CG 1 1 19 12651 1 1 25 TYR CZ C 11.948 12.047 5.735 1.00 . A A . 25 TYR CZ 1 1 19 12652 1 1 25 TYR H H 10.719 8.421 0.998 1.00 . A A . 25 TYR H 1 1 19 12653 1 1 25 TYR HA H 12.924 10.136 1.741 1.00 . A A . 25 TYR HA 1 1 19 12654 1 1 25 TYR HB2 H 11.170 8.221 2.985 1.00 . A A . 25 TYR HB2 1 1 19 12655 1 1 25 TYR HB3 H 12.818 7.905 3.518 1.00 . A A . 25 TYR HB3 1 1 19 12656 1 1 25 TYR HD1 H 10.332 10.655 3.081 1.00 . A A . 25 TYR HD1 1 1 19 12657 1 1 25 TYR HD2 H 13.824 9.267 5.159 1.00 . A A . 25 TYR HD2 1 1 19 12658 1 1 25 TYR HE1 H 10.210 12.615 4.596 1.00 . A A . 25 TYR HE1 1 1 19 12659 1 1 25 TYR HE2 H 13.703 11.223 6.677 1.00 . A A . 25 TYR HE2 1 1 19 12660 1 1 25 TYR HH H 11.794 12.811 7.481 1.00 . A A . 25 TYR HH 1 1 19 12661 1 1 25 TYR N N 11.621 8.829 0.706 1.00 . A A . 25 TYR N 1 1 19 12662 1 1 25 TYR O O 15.031 8.801 1.327 1.00 . A A . 25 TYR O 1 1 19 12663 1 1 25 TYR OH O 11.881 13.138 6.581 1.00 . A A . 25 TYR OH 1 1 19 12664 1 1 26 ASN C C 14.508 5.037 -0.174 1.00 . A A . 26 ASN C 1 1 19 12665 1 1 26 ASN CA C 14.957 6.179 0.742 1.00 . A A . 26 ASN CA 1 1 19 12666 1 1 26 ASN CB C 15.599 5.619 2.011 1.00 . A A . 26 ASN CB 1 1 19 12667 1 1 26 ASN CG C 14.503 5.241 3.005 1.00 . A A . 26 ASN CG 1 1 19 12668 1 1 26 ASN H H 12.884 6.611 1.135 1.00 . A A . 26 ASN H 1 1 19 12669 1 1 26 ASN HA H 15.677 6.791 0.217 1.00 . A A . 26 ASN HA 1 1 19 12670 1 1 26 ASN HB2 H 16.187 4.746 1.766 1.00 . A A . 26 ASN HB2 1 1 19 12671 1 1 26 ASN HB3 H 16.238 6.371 2.450 1.00 . A A . 26 ASN HB3 1 1 19 12672 1 1 26 ASN HD21 H 14.418 7.058 3.811 1.00 . A A . 26 ASN HD21 1 1 19 12673 1 1 26 ASN HD22 H 13.346 5.917 4.469 1.00 . A A . 26 ASN HD22 1 1 19 12674 1 1 26 ASN N N 13.778 7.012 1.103 1.00 . A A . 26 ASN N 1 1 19 12675 1 1 26 ASN ND2 N 14.052 6.146 3.831 1.00 . A A . 26 ASN ND2 1 1 19 12676 1 1 26 ASN O O 14.872 3.892 0.015 1.00 . A A . 26 ASN O 1 1 19 12677 1 1 26 ASN OD1 O 14.043 4.117 3.024 1.00 . A A . 26 ASN OD1 1 1 19 12678 1 1 27 GLN C C 12.613 3.135 -1.326 1.00 . A A . 27 GLN C 1 1 19 12679 1 1 27 GLN CA C 13.243 4.294 -2.107 1.00 . A A . 27 GLN CA 1 1 19 12680 1 1 27 GLN CB C 14.423 3.778 -2.937 1.00 . A A . 27 GLN CB 1 1 19 12681 1 1 27 GLN CD C 13.904 5.412 -4.759 1.00 . A A . 27 GLN CD 1 1 19 12682 1 1 27 GLN CG C 14.981 4.920 -3.790 1.00 . A A . 27 GLN CG 1 1 19 12683 1 1 27 GLN H H 13.448 6.277 -1.300 1.00 . A A . 27 GLN H 1 1 19 12684 1 1 27 GLN HA H 12.505 4.717 -2.765 1.00 . A A . 27 GLN HA 1 1 19 12685 1 1 27 GLN HB2 H 15.194 3.409 -2.277 1.00 . A A . 27 GLN HB2 1 1 19 12686 1 1 27 GLN HB3 H 14.088 2.980 -3.583 1.00 . A A . 27 GLN HB3 1 1 19 12687 1 1 27 GLN HE21 H 14.274 7.332 -4.416 1.00 . A A . 27 GLN HE21 1 1 19 12688 1 1 27 GLN HE22 H 13.035 7.020 -5.532 1.00 . A A . 27 GLN HE22 1 1 19 12689 1 1 27 GLN HG2 H 15.287 5.733 -3.148 1.00 . A A . 27 GLN HG2 1 1 19 12690 1 1 27 GLN HG3 H 15.833 4.566 -4.352 1.00 . A A . 27 GLN HG3 1 1 19 12691 1 1 27 GLN N N 13.723 5.346 -1.167 1.00 . A A . 27 GLN N 1 1 19 12692 1 1 27 GLN NE2 N 13.722 6.695 -4.917 1.00 . A A . 27 GLN NE2 1 1 19 12693 1 1 27 GLN O O 12.763 1.984 -1.686 1.00 . A A . 27 GLN O 1 1 19 12694 1 1 27 GLN OE1 O 13.221 4.622 -5.380 1.00 . A A . 27 GLN OE1 1 1 19 12695 1 1 28 GLN C C 9.739 2.549 0.551 1.00 . A A . 28 GLN C 1 1 19 12696 1 1 28 GLN CA C 11.258 2.337 0.529 1.00 . A A . 28 GLN CA 1 1 19 12697 1 1 28 GLN CB C 11.791 2.365 1.965 1.00 . A A . 28 GLN CB 1 1 19 12698 1 1 28 GLN CD C 11.597 1.314 4.224 1.00 . A A . 28 GLN CD 1 1 19 12699 1 1 28 GLN CG C 11.250 1.160 2.741 1.00 . A A . 28 GLN CG 1 1 19 12700 1 1 28 GLN H H 11.789 4.363 0.030 1.00 . A A . 28 GLN H 1 1 19 12701 1 1 28 GLN HA H 11.478 1.378 0.083 1.00 . A A . 28 GLN HA 1 1 19 12702 1 1 28 GLN HB2 H 12.870 2.326 1.947 1.00 . A A . 28 GLN HB2 1 1 19 12703 1 1 28 GLN HB3 H 11.472 3.274 2.450 1.00 . A A . 28 GLN HB3 1 1 19 12704 1 1 28 GLN HE21 H 13.287 2.301 3.876 1.00 . A A . 28 GLN HE21 1 1 19 12705 1 1 28 GLN HE22 H 12.922 2.041 5.515 1.00 . A A . 28 GLN HE22 1 1 19 12706 1 1 28 GLN HG2 H 10.177 1.105 2.626 1.00 . A A . 28 GLN HG2 1 1 19 12707 1 1 28 GLN HG3 H 11.700 0.256 2.361 1.00 . A A . 28 GLN HG3 1 1 19 12708 1 1 28 GLN N N 11.903 3.427 -0.266 1.00 . A A . 28 GLN N 1 1 19 12709 1 1 28 GLN NE2 N 12.693 1.936 4.566 1.00 . A A . 28 GLN NE2 1 1 19 12710 1 1 28 GLN O O 9.244 3.501 1.116 1.00 . A A . 28 GLN O 1 1 19 12711 1 1 28 GLN OE1 O 10.858 0.871 5.082 1.00 . A A . 28 GLN OE1 1 1 19 12712 1 1 29 SER C C 6.924 0.991 1.100 1.00 . A A . 29 SER C 1 1 19 12713 1 1 29 SER CA C 7.511 1.813 -0.046 1.00 . A A . 29 SER CA 1 1 19 12714 1 1 29 SER CB C 6.940 1.302 -1.362 1.00 . A A . 29 SER CB 1 1 19 12715 1 1 29 SER H H 9.407 0.897 -0.497 1.00 . A A . 29 SER H 1 1 19 12716 1 1 29 SER HA H 7.253 2.850 0.083 1.00 . A A . 29 SER HA 1 1 19 12717 1 1 29 SER HB2 H 7.074 0.242 -1.414 1.00 . A A . 29 SER HB2 1 1 19 12718 1 1 29 SER HB3 H 5.886 1.530 -1.407 1.00 . A A . 29 SER HB3 1 1 19 12719 1 1 29 SER HG H 6.998 2.483 -2.906 1.00 . A A . 29 SER HG 1 1 19 12720 1 1 29 SER N N 8.993 1.663 -0.050 1.00 . A A . 29 SER N 1 1 19 12721 1 1 29 SER O O 7.620 0.237 1.735 1.00 . A A . 29 SER O 1 1 19 12722 1 1 29 SER OG O 7.622 1.917 -2.446 1.00 . A A . 29 SER OG 1 1 19 12723 1 1 30 SER C C 3.610 -0.063 2.064 1.00 . A A . 30 SER C 1 1 19 12724 1 1 30 SER CA C 5.029 0.333 2.452 1.00 . A A . 30 SER CA 1 1 19 12725 1 1 30 SER CB C 4.999 1.165 3.732 1.00 . A A . 30 SER CB 1 1 19 12726 1 1 30 SER H H 5.104 1.713 0.833 1.00 . A A . 30 SER H 1 1 19 12727 1 1 30 SER HA H 5.600 -0.546 2.615 1.00 . A A . 30 SER HA 1 1 19 12728 1 1 30 SER HB2 H 5.865 1.803 3.769 1.00 . A A . 30 SER HB2 1 1 19 12729 1 1 30 SER HB3 H 4.104 1.775 3.747 1.00 . A A . 30 SER HB3 1 1 19 12730 1 1 30 SER HG H 4.107 0.193 5.165 1.00 . A A . 30 SER HG 1 1 19 12731 1 1 30 SER N N 5.649 1.117 1.359 1.00 . A A . 30 SER N 1 1 19 12732 1 1 30 SER O O 3.262 -0.114 0.904 1.00 . A A . 30 SER O 1 1 19 12733 1 1 30 SER OG O 5.011 0.292 4.855 1.00 . A A . 30 SER OG 1 1 19 12734 1 1 31 CYS C C 0.509 -0.702 3.972 1.00 . A A . 31 CYS C 1 1 19 12735 1 1 31 CYS CA C 1.387 -0.752 2.718 1.00 . A A . 31 CYS CA 1 1 19 12736 1 1 31 CYS CB C 1.365 -2.184 2.163 1.00 . A A . 31 CYS CB 1 1 19 12737 1 1 31 CYS H H 3.108 -0.315 3.955 1.00 . A A . 31 CYS H 1 1 19 12738 1 1 31 CYS HA H 0.992 -0.079 1.983 1.00 . A A . 31 CYS HA 1 1 19 12739 1 1 31 CYS HB2 H 2.369 -2.501 1.943 1.00 . A A . 31 CYS HB2 1 1 19 12740 1 1 31 CYS HB3 H 0.937 -2.849 2.895 1.00 . A A . 31 CYS HB3 1 1 19 12741 1 1 31 CYS N N 2.792 -0.350 3.031 1.00 . A A . 31 CYS N 1 1 19 12742 1 1 31 CYS O O 0.903 -1.117 5.042 1.00 . A A . 31 CYS O 1 1 19 12743 1 1 31 CYS SG S 0.371 -2.243 0.651 1.00 . A A . 31 CYS SG 1 1 19 12744 1 1 32 GLU C C -3.073 -0.374 4.485 1.00 . A A . 32 GLU C 1 1 19 12745 1 1 32 GLU CA C -1.637 -0.133 4.987 1.00 . A A . 32 GLU CA 1 1 19 12746 1 1 32 GLU CB C -1.492 1.239 5.666 1.00 . A A . 32 GLU CB 1 1 19 12747 1 1 32 GLU CD C -2.502 3.495 5.980 1.00 . A A . 32 GLU CD 1 1 19 12748 1 1 32 GLU CG C -2.589 2.186 5.195 1.00 . A A . 32 GLU CG 1 1 19 12749 1 1 32 GLU H H -0.985 0.110 2.943 1.00 . A A . 32 GLU H 1 1 19 12750 1 1 32 GLU HA H -1.388 -0.904 5.694 1.00 . A A . 32 GLU HA 1 1 19 12751 1 1 32 GLU HB2 H -1.560 1.115 6.739 1.00 . A A . 32 GLU HB2 1 1 19 12752 1 1 32 GLU HB3 H -0.527 1.657 5.418 1.00 . A A . 32 GLU HB3 1 1 19 12753 1 1 32 GLU HG2 H -2.462 2.389 4.143 1.00 . A A . 32 GLU HG2 1 1 19 12754 1 1 32 GLU HG3 H -3.548 1.729 5.363 1.00 . A A . 32 GLU HG3 1 1 19 12755 1 1 32 GLU N N -0.695 -0.207 3.827 1.00 . A A . 32 GLU N 1 1 19 12756 1 1 32 GLU O O -3.428 0.012 3.391 1.00 . A A . 32 GLU O 1 1 19 12757 1 1 32 GLU OE1 O -1.398 3.888 6.317 1.00 . A A . 32 GLU OE1 1 1 19 12758 1 1 32 GLU OE2 O -3.543 4.088 6.221 1.00 . A A . 32 GLU OE2 1 1 19 12759 1 1 33 ARG C C -6.055 -0.051 4.479 1.00 . A A . 33 ARG C 1 1 19 12760 1 1 33 ARG CA C -5.292 -1.334 4.824 1.00 . A A . 33 ARG CA 1 1 19 12761 1 1 33 ARG CB C -6.057 -2.078 5.926 1.00 . A A . 33 ARG CB 1 1 19 12762 1 1 33 ARG CD C -7.748 -1.164 7.538 1.00 . A A . 33 ARG CD 1 1 19 12763 1 1 33 ARG CG C -6.266 -1.170 7.148 1.00 . A A . 33 ARG CG 1 1 19 12764 1 1 33 ARG CZ C -7.833 -3.146 8.919 1.00 . A A . 33 ARG CZ 1 1 19 12765 1 1 33 ARG H H -3.580 -1.359 6.141 1.00 . A A . 33 ARG H 1 1 19 12766 1 1 33 ARG HA H -5.253 -1.960 3.946 1.00 . A A . 33 ARG HA 1 1 19 12767 1 1 33 ARG HB2 H -7.018 -2.388 5.539 1.00 . A A . 33 ARG HB2 1 1 19 12768 1 1 33 ARG HB3 H -5.495 -2.952 6.221 1.00 . A A . 33 ARG HB3 1 1 19 12769 1 1 33 ARG HD2 H -7.887 -0.561 8.423 1.00 . A A . 33 ARG HD2 1 1 19 12770 1 1 33 ARG HD3 H -8.335 -0.753 6.728 1.00 . A A . 33 ARG HD3 1 1 19 12771 1 1 33 ARG HE H -8.737 -3.035 7.156 1.00 . A A . 33 ARG HE 1 1 19 12772 1 1 33 ARG HG2 H -5.683 -1.543 7.975 1.00 . A A . 33 ARG HG2 1 1 19 12773 1 1 33 ARG HG3 H -5.953 -0.166 6.921 1.00 . A A . 33 ARG HG3 1 1 19 12774 1 1 33 ARG HH11 H -6.806 -1.568 9.603 1.00 . A A . 33 ARG HH11 1 1 19 12775 1 1 33 ARG HH12 H -6.821 -2.958 10.638 1.00 . A A . 33 ARG HH12 1 1 19 12776 1 1 33 ARG HH21 H -8.779 -4.858 8.492 1.00 . A A . 33 ARG HH21 1 1 19 12777 1 1 33 ARG HH22 H -7.937 -4.825 10.050 1.00 . A A . 33 ARG HH22 1 1 19 12778 1 1 33 ARG N N -3.891 -1.036 5.270 1.00 . A A . 33 ARG N 1 1 19 12779 1 1 33 ARG NE N -8.186 -2.558 7.810 1.00 . A A . 33 ARG NE 1 1 19 12780 1 1 33 ARG NH1 N -7.097 -2.506 9.788 1.00 . A A . 33 ARG NH1 1 1 19 12781 1 1 33 ARG NH2 N -8.215 -4.371 9.159 1.00 . A A . 33 ARG NH2 1 1 19 12782 1 1 33 ARG O O -6.425 0.718 5.339 1.00 . A A . 33 ARG O 1 1 19 12783 1 1 34 LYS C C -7.777 1.008 1.479 1.00 . A A . 34 LYS C 1 1 19 12784 1 1 34 LYS CA C -7.100 1.347 2.807 1.00 . A A . 34 LYS CA 1 1 19 12785 1 1 34 LYS CB C -6.169 2.561 2.626 1.00 . A A . 34 LYS CB 1 1 19 12786 1 1 34 LYS CD C -6.592 4.328 4.405 1.00 . A A . 34 LYS CD 1 1 19 12787 1 1 34 LYS CE C -7.821 3.853 5.187 1.00 . A A . 34 LYS CE 1 1 19 12788 1 1 34 LYS CG C -5.719 3.128 3.994 1.00 . A A . 34 LYS CG 1 1 19 12789 1 1 34 LYS H H -6.063 -0.492 2.560 1.00 . A A . 34 LYS H 1 1 19 12790 1 1 34 LYS HA H -7.846 1.555 3.544 1.00 . A A . 34 LYS HA 1 1 19 12791 1 1 34 LYS HB2 H -5.299 2.255 2.067 1.00 . A A . 34 LYS HB2 1 1 19 12792 1 1 34 LYS HB3 H -6.691 3.328 2.073 1.00 . A A . 34 LYS HB3 1 1 19 12793 1 1 34 LYS HD2 H -6.011 4.993 5.027 1.00 . A A . 34 LYS HD2 1 1 19 12794 1 1 34 LYS HD3 H -6.914 4.859 3.523 1.00 . A A . 34 LYS HD3 1 1 19 12795 1 1 34 LYS HE2 H -8.241 4.686 5.729 1.00 . A A . 34 LYS HE2 1 1 19 12796 1 1 34 LYS HE3 H -8.557 3.464 4.501 1.00 . A A . 34 LYS HE3 1 1 19 12797 1 1 34 LYS HG2 H -5.787 2.365 4.744 1.00 . A A . 34 LYS HG2 1 1 19 12798 1 1 34 LYS HG3 H -4.690 3.451 3.923 1.00 . A A . 34 LYS HG3 1 1 19 12799 1 1 34 LYS HZ1 H -8.184 2.653 6.852 1.00 . A A . 34 LYS HZ1 1 1 19 12800 1 1 34 LYS HZ2 H -6.553 3.069 6.644 1.00 . A A . 34 LYS HZ2 1 1 19 12801 1 1 34 LYS HZ3 H -7.265 1.896 5.641 1.00 . A A . 34 LYS HZ3 1 1 19 12802 1 1 34 LYS N N -6.332 0.157 3.228 1.00 . A A . 34 LYS N 1 1 19 12803 1 1 34 LYS NZ N -7.426 2.787 6.155 1.00 . A A . 34 LYS NZ 1 1 19 12804 1 1 34 LYS O O -7.579 1.665 0.477 1.00 . A A . 34 LYS O 1 1 19 12805 1 1 35 TRP C C -10.745 -0.328 0.300 1.00 . A A . 35 TRP C 1 1 19 12806 1 1 35 TRP CA C -9.229 -0.473 0.197 1.00 . A A . 35 TRP CA 1 1 19 12807 1 1 35 TRP CB C -8.895 -1.938 -0.081 1.00 . A A . 35 TRP CB 1 1 19 12808 1 1 35 TRP CD1 C -6.389 -1.880 0.147 1.00 . A A . 35 TRP CD1 1 1 19 12809 1 1 35 TRP CD2 C -7.060 -2.325 -1.950 1.00 . A A . 35 TRP CD2 1 1 19 12810 1 1 35 TRP CE2 C -5.648 -2.326 -1.968 1.00 . A A . 35 TRP CE2 1 1 19 12811 1 1 35 TRP CE3 C -7.741 -2.582 -3.152 1.00 . A A . 35 TRP CE3 1 1 19 12812 1 1 35 TRP CG C -7.503 -2.039 -0.596 1.00 . A A . 35 TRP CG 1 1 19 12813 1 1 35 TRP CH2 C -5.626 -2.827 -4.328 1.00 . A A . 35 TRP CH2 1 1 19 12814 1 1 35 TRP CZ2 C -4.933 -2.573 -3.141 1.00 . A A . 35 TRP CZ2 1 1 19 12815 1 1 35 TRP CZ3 C -7.027 -2.831 -4.333 1.00 . A A . 35 TRP CZ3 1 1 19 12816 1 1 35 TRP H H -8.669 -0.575 2.289 1.00 . A A . 35 TRP H 1 1 19 12817 1 1 35 TRP HA H -8.876 0.131 -0.618 1.00 . A A . 35 TRP HA 1 1 19 12818 1 1 35 TRP HB2 H -8.983 -2.508 0.833 1.00 . A A . 35 TRP HB2 1 1 19 12819 1 1 35 TRP HB3 H -9.581 -2.331 -0.817 1.00 . A A . 35 TRP HB3 1 1 19 12820 1 1 35 TRP HD1 H -6.365 -1.655 1.204 1.00 . A A . 35 TRP HD1 1 1 19 12821 1 1 35 TRP HE1 H -4.358 -1.983 -0.375 1.00 . A A . 35 TRP HE1 1 1 19 12822 1 1 35 TRP HE3 H -8.819 -2.588 -3.165 1.00 . A A . 35 TRP HE3 1 1 19 12823 1 1 35 TRP HH2 H -5.081 -3.024 -5.241 1.00 . A A . 35 TRP HH2 1 1 19 12824 1 1 35 TRP HZ2 H -3.853 -2.570 -3.132 1.00 . A A . 35 TRP HZ2 1 1 19 12825 1 1 35 TRP HZ3 H -7.562 -3.030 -5.251 1.00 . A A . 35 TRP HZ3 1 1 19 12826 1 1 35 TRP N N -8.553 -0.048 1.465 1.00 . A A . 35 TRP N 1 1 19 12827 1 1 35 TRP NE1 N -5.286 -2.048 -0.667 1.00 . A A . 35 TRP NE1 1 1 19 12828 1 1 35 TRP O O -11.442 -0.399 -0.688 1.00 . A A . 35 TRP O 1 1 19 12829 1 1 36 LYS C C -13.485 -0.977 0.712 1.00 . A A . 36 LYS C 1 1 19 12830 1 1 36 LYS CA C -12.742 0.060 1.638 1.00 . A A . 36 LYS CA 1 1 19 12831 1 1 36 LYS CB C -13.145 1.459 1.325 1.00 . A A . 36 LYS CB 1 1 19 12832 1 1 36 LYS CD C -13.834 3.074 -0.462 1.00 . A A . 36 LYS CD 1 1 19 12833 1 1 36 LYS CE C -15.064 3.351 -1.343 1.00 . A A . 36 LYS CE 1 1 19 12834 1 1 36 LYS CG C -13.766 1.586 -0.075 1.00 . A A . 36 LYS CG 1 1 19 12835 1 1 36 LYS H H -10.672 -0.077 2.253 1.00 . A A . 36 LYS H 1 1 19 12836 1 1 36 LYS HA H -13.002 -0.219 2.663 1.00 . A A . 36 LYS HA 1 1 19 12837 1 1 36 LYS HB2 H -13.867 1.793 2.057 1.00 . A A . 36 LYS HB2 1 1 19 12838 1 1 36 LYS HB3 H -12.271 2.089 1.381 1.00 . A A . 36 LYS HB3 1 1 19 12839 1 1 36 LYS HD2 H -13.891 3.674 0.432 1.00 . A A . 36 LYS HD2 1 1 19 12840 1 1 36 LYS HD3 H -12.939 3.336 -1.012 1.00 . A A . 36 LYS HD3 1 1 19 12841 1 1 36 LYS HE2 H -14.744 3.675 -2.321 1.00 . A A . 36 LYS HE2 1 1 19 12842 1 1 36 LYS HE3 H -15.662 2.458 -1.440 1.00 . A A . 36 LYS HE3 1 1 19 12843 1 1 36 LYS HG2 H -13.158 1.054 -0.793 1.00 . A A . 36 LYS HG2 1 1 19 12844 1 1 36 LYS HG3 H -14.760 1.171 -0.066 1.00 . A A . 36 LYS HG3 1 1 19 12845 1 1 36 LYS HZ1 H -16.642 3.997 -0.142 1.00 . A A . 36 LYS HZ1 1 1 19 12846 1 1 36 LYS HZ2 H -16.307 5.022 -1.452 1.00 . A A . 36 LYS HZ2 1 1 19 12847 1 1 36 LYS HZ3 H -15.279 5.012 -0.100 1.00 . A A . 36 LYS HZ3 1 1 19 12848 1 1 36 LYS N N -11.260 -0.131 1.472 1.00 . A A . 36 LYS N 1 1 19 12849 1 1 36 LYS NZ N -15.885 4.427 -0.712 1.00 . A A . 36 LYS NZ 1 1 19 12850 1 1 36 LYS O O -14.686 -0.890 0.542 1.00 . A A . 36 LYS O 1 1 19 12851 1 1 37 TYR C C -13.549 -4.264 -0.033 1.00 . A A . 37 TYR C 1 1 19 12852 1 1 37 TYR CA C -13.463 -2.919 -0.759 1.00 . A A . 37 TYR CA 1 1 19 12853 1 1 37 TYR CB C -12.672 -3.104 -2.061 1.00 . A A . 37 TYR CB 1 1 19 12854 1 1 37 TYR CD1 C -13.954 -1.441 -3.459 1.00 . A A . 37 TYR CD1 1 1 19 12855 1 1 37 TYR CD2 C -11.588 -1.070 -3.085 1.00 . A A . 37 TYR CD2 1 1 19 12856 1 1 37 TYR CE1 C -14.015 -0.271 -4.226 1.00 . A A . 37 TYR CE1 1 1 19 12857 1 1 37 TYR CE2 C -11.649 0.097 -3.852 1.00 . A A . 37 TYR CE2 1 1 19 12858 1 1 37 TYR CG C -12.740 -1.839 -2.886 1.00 . A A . 37 TYR CG 1 1 19 12859 1 1 37 TYR CZ C -12.861 0.499 -4.421 1.00 . A A . 37 TYR CZ 1 1 19 12860 1 1 37 TYR H H -11.772 -1.986 0.290 1.00 . A A . 37 TYR H 1 1 19 12861 1 1 37 TYR HA H -14.460 -2.577 -0.993 1.00 . A A . 37 TYR HA 1 1 19 12862 1 1 37 TYR HB2 H -11.642 -3.325 -1.828 1.00 . A A . 37 TYR HB2 1 1 19 12863 1 1 37 TYR HB3 H -13.097 -3.921 -2.624 1.00 . A A . 37 TYR HB3 1 1 19 12864 1 1 37 TYR HD1 H -14.843 -2.033 -3.307 1.00 . A A . 37 TYR HD1 1 1 19 12865 1 1 37 TYR HD2 H -10.651 -1.380 -2.648 1.00 . A A . 37 TYR HD2 1 1 19 12866 1 1 37 TYR HE1 H -14.951 0.038 -4.668 1.00 . A A . 37 TYR HE1 1 1 19 12867 1 1 37 TYR HE2 H -10.759 0.690 -4.004 1.00 . A A . 37 TYR HE2 1 1 19 12868 1 1 37 TYR HH H -13.818 1.750 -5.499 1.00 . A A . 37 TYR HH 1 1 19 12869 1 1 37 TYR N N -12.788 -1.926 0.132 1.00 . A A . 37 TYR N 1 1 19 12870 1 1 37 TYR O O -13.220 -5.297 -0.577 1.00 . A A . 37 TYR O 1 1 19 12871 1 1 37 TYR OH O -12.921 1.653 -5.174 1.00 . A A . 37 TYR OH 1 1 19 12872 1 1 38 LEU C C -15.100 -6.436 1.286 1.00 . A A . 38 LEU C 1 1 19 12873 1 1 38 LEU CA C -14.099 -5.510 1.973 1.00 . A A . 38 LEU CA 1 1 19 12874 1 1 38 LEU CB C -14.571 -5.197 3.397 1.00 . A A . 38 LEU CB 1 1 19 12875 1 1 38 LEU CD1 C -13.356 -7.237 4.211 1.00 . A A . 38 LEU CD1 1 1 19 12876 1 1 38 LEU CD2 C -15.087 -6.151 5.647 1.00 . A A . 38 LEU CD2 1 1 19 12877 1 1 38 LEU CG C -14.696 -6.493 4.207 1.00 . A A . 38 LEU CG 1 1 19 12878 1 1 38 LEU H H -14.236 -3.409 1.611 1.00 . A A . 38 LEU H 1 1 19 12879 1 1 38 LEU HA H -13.136 -5.978 2.009 1.00 . A A . 38 LEU HA 1 1 19 12880 1 1 38 LEU HB2 H -13.856 -4.544 3.876 1.00 . A A . 38 LEU HB2 1 1 19 12881 1 1 38 LEU HB3 H -15.531 -4.708 3.357 1.00 . A A . 38 LEU HB3 1 1 19 12882 1 1 38 LEU HD11 H -12.548 -6.522 4.258 1.00 . A A . 38 LEU HD11 1 1 19 12883 1 1 38 LEU HD12 H -13.266 -7.824 3.308 1.00 . A A . 38 LEU HD12 1 1 19 12884 1 1 38 LEU HD13 H -13.308 -7.890 5.070 1.00 . A A . 38 LEU HD13 1 1 19 12885 1 1 38 LEU HD21 H -16.011 -5.592 5.645 1.00 . A A . 38 LEU HD21 1 1 19 12886 1 1 38 LEU HD22 H -14.308 -5.556 6.098 1.00 . A A . 38 LEU HD22 1 1 19 12887 1 1 38 LEU HD23 H -15.217 -7.062 6.211 1.00 . A A . 38 LEU HD23 1 1 19 12888 1 1 38 LEU HG H -15.456 -7.123 3.766 1.00 . A A . 38 LEU HG 1 1 19 12889 1 1 38 LEU N N -13.986 -4.250 1.196 1.00 . A A . 38 LEU N 1 1 19 12890 1 1 38 LEU O O -14.971 -7.643 1.318 1.00 . A A . 38 LEU O 1 1 19 12891 1 1 39 PHE C C -16.419 -7.648 -0.994 1.00 . A A . 39 PHE C 1 1 19 12892 1 1 39 PHE CA C -17.120 -6.713 -0.014 1.00 . A A . 39 PHE CA 1 1 19 12893 1 1 39 PHE CB C -18.095 -5.791 -0.753 1.00 . A A . 39 PHE CB 1 1 19 12894 1 1 39 PHE CD1 C -20.147 -7.239 -0.975 1.00 . A A . 39 PHE CD1 1 1 19 12895 1 1 39 PHE CD2 C -18.857 -6.726 -2.963 1.00 . A A . 39 PHE CD2 1 1 19 12896 1 1 39 PHE CE1 C -21.040 -7.990 -1.749 1.00 . A A . 39 PHE CE1 1 1 19 12897 1 1 39 PHE CE2 C -19.750 -7.477 -3.738 1.00 . A A . 39 PHE CE2 1 1 19 12898 1 1 39 PHE CG C -19.056 -6.607 -1.582 1.00 . A A . 39 PHE CG 1 1 19 12899 1 1 39 PHE CZ C -20.841 -8.110 -3.130 1.00 . A A . 39 PHE CZ 1 1 19 12900 1 1 39 PHE H H -16.184 -4.902 0.667 1.00 . A A . 39 PHE H 1 1 19 12901 1 1 39 PHE HA H -17.648 -7.292 0.706 1.00 . A A . 39 PHE HA 1 1 19 12902 1 1 39 PHE HB2 H -18.651 -5.211 -0.030 1.00 . A A . 39 PHE HB2 1 1 19 12903 1 1 39 PHE HB3 H -17.540 -5.124 -1.395 1.00 . A A . 39 PHE HB3 1 1 19 12904 1 1 39 PHE HD1 H -20.303 -7.147 0.090 1.00 . A A . 39 PHE HD1 1 1 19 12905 1 1 39 PHE HD2 H -18.015 -6.237 -3.431 1.00 . A A . 39 PHE HD2 1 1 19 12906 1 1 39 PHE HE1 H -21.882 -8.477 -1.281 1.00 . A A . 39 PHE HE1 1 1 19 12907 1 1 39 PHE HE2 H -19.595 -7.568 -4.802 1.00 . A A . 39 PHE HE2 1 1 19 12908 1 1 39 PHE HZ H -21.529 -8.689 -3.727 1.00 . A A . 39 PHE HZ 1 1 19 12909 1 1 39 PHE N N -16.101 -5.877 0.674 1.00 . A A . 39 PHE N 1 1 19 12910 1 1 39 PHE O O -16.697 -8.832 -1.053 1.00 . A A . 39 PHE O 1 1 19 12911 1 1 40 THR C C -13.714 -8.809 -1.929 1.00 . A A . 40 THR C 1 1 19 12912 1 1 40 THR CA C -14.744 -7.984 -2.710 1.00 . A A . 40 THR CA 1 1 19 12913 1 1 40 THR CB C -14.030 -7.100 -3.736 1.00 . A A . 40 THR CB 1 1 19 12914 1 1 40 THR CG2 C -13.516 -7.968 -4.887 1.00 . A A . 40 THR CG2 1 1 19 12915 1 1 40 THR H H -15.291 -6.183 -1.651 1.00 . A A . 40 THR H 1 1 19 12916 1 1 40 THR HA H -15.429 -8.650 -3.216 1.00 . A A . 40 THR HA 1 1 19 12917 1 1 40 THR HB H -13.198 -6.600 -3.267 1.00 . A A . 40 THR HB 1 1 19 12918 1 1 40 THR HG1 H -14.699 -5.950 -5.152 1.00 . A A . 40 THR HG1 1 1 19 12919 1 1 40 THR HG21 H -14.334 -8.547 -5.294 1.00 . A A . 40 THR HG21 1 1 19 12920 1 1 40 THR HG22 H -12.750 -8.637 -4.522 1.00 . A A . 40 THR HG22 1 1 19 12921 1 1 40 THR HG23 H -13.104 -7.335 -5.658 1.00 . A A . 40 THR HG23 1 1 19 12922 1 1 40 THR N N -15.499 -7.130 -1.743 1.00 . A A . 40 THR N 1 1 19 12923 1 1 40 THR O O -13.385 -8.489 -0.804 1.00 . A A . 40 THR O 1 1 19 12924 1 1 40 THR OG1 O -14.942 -6.138 -4.242 1.00 . A A . 40 THR OG1 1 1 19 12925 1 1 41 GLY C C -10.866 -10.717 -2.499 1.00 . A A . 41 GLY C 1 1 19 12926 1 1 41 GLY CA C -12.211 -10.714 -1.770 1.00 . A A . 41 GLY CA 1 1 19 12927 1 1 41 GLY H H -13.492 -10.123 -3.408 1.00 . A A . 41 GLY H 1 1 19 12928 1 1 41 GLY HA2 H -12.072 -10.318 -0.773 1.00 . A A . 41 GLY HA2 1 1 19 12929 1 1 41 GLY HA3 H -12.580 -11.725 -1.702 1.00 . A A . 41 GLY HA3 1 1 19 12930 1 1 41 GLY N N -13.210 -9.872 -2.504 1.00 . A A . 41 GLY N 1 1 19 12931 1 1 41 GLY O O -9.977 -11.479 -2.169 1.00 . A A . 41 GLY O 1 1 19 12932 1 1 42 GLU C C -9.004 -8.385 -4.475 1.00 . A A . 42 GLU C 1 1 19 12933 1 1 42 GLU CA C -9.399 -9.839 -4.217 1.00 . A A . 42 GLU CA 1 1 19 12934 1 1 42 GLU CB C -9.518 -10.590 -5.553 1.00 . A A . 42 GLU CB 1 1 19 12935 1 1 42 GLU CD C -10.103 -10.397 -7.973 1.00 . A A . 42 GLU CD 1 1 19 12936 1 1 42 GLU CG C -10.189 -9.705 -6.611 1.00 . A A . 42 GLU CG 1 1 19 12937 1 1 42 GLU H H -11.420 -9.265 -3.735 1.00 . A A . 42 GLU H 1 1 19 12938 1 1 42 GLU HA H -8.633 -10.307 -3.614 1.00 . A A . 42 GLU HA 1 1 19 12939 1 1 42 GLU HB2 H -8.533 -10.870 -5.894 1.00 . A A . 42 GLU HB2 1 1 19 12940 1 1 42 GLU HB3 H -10.113 -11.480 -5.409 1.00 . A A . 42 GLU HB3 1 1 19 12941 1 1 42 GLU HG2 H -11.228 -9.554 -6.348 1.00 . A A . 42 GLU HG2 1 1 19 12942 1 1 42 GLU HG3 H -9.687 -8.751 -6.664 1.00 . A A . 42 GLU HG3 1 1 19 12943 1 1 42 GLU N N -10.698 -9.875 -3.483 1.00 . A A . 42 GLU N 1 1 19 12944 1 1 42 GLU O O -9.687 -7.465 -4.071 1.00 . A A . 42 GLU O 1 1 19 12945 1 1 42 GLU OE1 O -9.426 -11.408 -8.059 1.00 . A A . 42 GLU OE1 1 1 19 12946 1 1 42 GLU OE2 O -10.718 -9.906 -8.906 1.00 . A A . 42 GLU OE2 1 1 19 12947 1 1 43 CYS C C -6.848 -6.739 -6.843 1.00 . A A . 43 CYS C 1 1 19 12948 1 1 43 CYS CA C -7.465 -6.788 -5.442 1.00 . A A . 43 CYS CA 1 1 19 12949 1 1 43 CYS CB C -6.429 -6.365 -4.398 1.00 . A A . 43 CYS CB 1 1 19 12950 1 1 43 CYS H H -7.378 -8.936 -5.466 1.00 . A A . 43 CYS H 1 1 19 12951 1 1 43 CYS HXT H -5.231 -5.936 -7.207 1.00 . A A . 43 CYS HXT 1 1 19 12952 1 1 43 CYS HA H -8.314 -6.119 -5.399 1.00 . A A . 43 CYS HA 1 1 19 12953 1 1 43 CYS HB2 H -6.500 -5.304 -4.228 1.00 . A A . 43 CYS HB2 1 1 19 12954 1 1 43 CYS HB3 H -6.622 -6.892 -3.472 1.00 . A A . 43 CYS HB3 1 1 19 12955 1 1 43 CYS N N -7.910 -8.178 -5.149 1.00 . A A . 43 CYS N 1 1 19 12956 1 1 43 CYS O O -6.991 -7.711 -7.566 1.00 . A A . 43 CYS O 1 1 19 12957 1 1 43 CYS OXT O -6.241 -5.731 -7.167 1.00 . A A . 43 CYS OXT 1 1 19 12958 1 1 43 CYS SG S -4.763 -6.772 -4.980 1.00 . A A . 43 CYS SG 1 1 20 12959 1 1 1 CYS C C 3.861 -8.347 0.268 1.00 . A A . 1 CYS C 1 1 20 12960 1 1 1 CYS CA C 3.707 -9.184 -1.001 1.00 . A A . 1 CYS CA 1 1 20 12961 1 1 1 CYS CB C 2.265 -9.689 -1.088 1.00 . A A . 1 CYS CB 1 1 20 12962 1 1 1 CYS H1 H 5.609 -10.060 -0.889 1.00 . A A . 1 CYS H1 1 1 20 12963 1 1 1 CYS H2 H 4.425 -10.920 -0.119 1.00 . A A . 1 CYS H2 1 1 20 12964 1 1 1 CYS H3 H 4.525 -10.917 -1.797 1.00 . A A . 1 CYS H3 1 1 20 12965 1 1 1 CYS HA H 3.932 -8.580 -1.866 1.00 . A A . 1 CYS HA 1 1 20 12966 1 1 1 CYS HB2 H 1.615 -8.865 -1.309 1.00 . A A . 1 CYS HB2 1 1 20 12967 1 1 1 CYS HB3 H 2.184 -10.430 -1.870 1.00 . A A . 1 CYS HB3 1 1 20 12968 1 1 1 CYS N N 4.638 -10.346 -0.947 1.00 . A A . 1 CYS N 1 1 20 12969 1 1 1 CYS O O 3.818 -8.865 1.367 1.00 . A A . 1 CYS O 1 1 20 12970 1 1 1 CYS SG S 1.796 -10.425 0.501 1.00 . A A . 1 CYS SG 1 1 20 12971 1 1 2 GLY C C 2.813 -5.755 1.846 1.00 . A A . 2 GLY C 1 1 20 12972 1 1 2 GLY CA C 4.190 -6.218 1.357 1.00 . A A . 2 GLY CA 1 1 20 12973 1 1 2 GLY H H 4.075 -6.648 -0.752 1.00 . A A . 2 GLY H 1 1 20 12974 1 1 2 GLY HA2 H 4.676 -6.791 2.134 1.00 . A A . 2 GLY HA2 1 1 20 12975 1 1 2 GLY HA3 H 4.790 -5.354 1.119 1.00 . A A . 2 GLY HA3 1 1 20 12976 1 1 2 GLY N N 4.038 -7.061 0.139 1.00 . A A . 2 GLY N 1 1 20 12977 1 1 2 GLY O O 2.141 -4.994 1.185 1.00 . A A . 2 GLY O 1 1 20 12978 1 1 3 SER C C 1.313 -4.545 4.457 1.00 . A A . 3 SER C 1 1 20 12979 1 1 3 SER CA C 1.072 -5.753 3.549 1.00 . A A . 3 SER CA 1 1 20 12980 1 1 3 SER CB C 0.430 -6.894 4.350 1.00 . A A . 3 SER CB 1 1 20 12981 1 1 3 SER H H 2.963 -6.793 3.537 1.00 . A A . 3 SER H 1 1 20 12982 1 1 3 SER HA H 0.421 -5.468 2.735 1.00 . A A . 3 SER HA 1 1 20 12983 1 1 3 SER HB2 H 1.193 -7.447 4.871 1.00 . A A . 3 SER HB2 1 1 20 12984 1 1 3 SER HB3 H -0.267 -6.486 5.071 1.00 . A A . 3 SER HB3 1 1 20 12985 1 1 3 SER HG H 0.385 -8.386 3.103 1.00 . A A . 3 SER HG 1 1 20 12986 1 1 3 SER N N 2.397 -6.190 3.011 1.00 . A A . 3 SER N 1 1 20 12987 1 1 3 SER O O 2.327 -3.886 4.345 1.00 . A A . 3 SER O 1 1 20 12988 1 1 3 SER OG O -0.254 -7.766 3.460 1.00 . A A . 3 SER OG 1 1 20 12989 1 1 4 LYS C C 2.085 -3.138 6.764 1.00 . A A . 4 LYS C 1 1 20 12990 1 1 4 LYS CA C 0.656 -3.048 6.225 1.00 . A A . 4 LYS CA 1 1 20 12991 1 1 4 LYS CB C -0.344 -3.037 7.389 1.00 . A A . 4 LYS CB 1 1 20 12992 1 1 4 LYS CD C 0.354 -1.858 9.503 1.00 . A A . 4 LYS CD 1 1 20 12993 1 1 4 LYS CE C 0.780 -0.483 10.028 1.00 . A A . 4 LYS CE 1 1 20 12994 1 1 4 LYS CG C -0.280 -1.686 8.122 1.00 . A A . 4 LYS CG 1 1 20 12995 1 1 4 LYS H H -0.410 -4.750 5.439 1.00 . A A . 4 LYS H 1 1 20 12996 1 1 4 LYS HA H 0.547 -2.148 5.643 1.00 . A A . 4 LYS HA 1 1 20 12997 1 1 4 LYS HB2 H -1.338 -3.185 7.002 1.00 . A A . 4 LYS HB2 1 1 20 12998 1 1 4 LYS HB3 H -0.105 -3.833 8.076 1.00 . A A . 4 LYS HB3 1 1 20 12999 1 1 4 LYS HD2 H -0.371 -2.295 10.178 1.00 . A A . 4 LYS HD2 1 1 20 13000 1 1 4 LYS HD3 H 1.216 -2.501 9.430 1.00 . A A . 4 LYS HD3 1 1 20 13001 1 1 4 LYS HE2 H 1.329 0.041 9.259 1.00 . A A . 4 LYS HE2 1 1 20 13002 1 1 4 LYS HE3 H -0.098 0.088 10.295 1.00 . A A . 4 LYS HE3 1 1 20 13003 1 1 4 LYS HG2 H 0.308 -0.989 7.547 1.00 . A A . 4 LYS HG2 1 1 20 13004 1 1 4 LYS HG3 H -1.283 -1.295 8.238 1.00 . A A . 4 LYS HG3 1 1 20 13005 1 1 4 LYS HZ1 H 2.554 -0.156 11.067 1.00 . A A . 4 LYS HZ1 1 1 20 13006 1 1 4 LYS HZ2 H 1.828 -1.652 11.395 1.00 . A A . 4 LYS HZ2 1 1 20 13007 1 1 4 LYS HZ3 H 1.176 -0.232 12.057 1.00 . A A . 4 LYS HZ3 1 1 20 13008 1 1 4 LYS N N 0.412 -4.227 5.349 1.00 . A A . 4 LYS N 1 1 20 13009 1 1 4 LYS NZ N 1.649 -0.644 11.228 1.00 . A A . 4 LYS NZ 1 1 20 13010 1 1 4 LYS O O 2.608 -4.218 6.945 1.00 . A A . 4 LYS O 1 1 20 13011 1 1 5 ARG C C 4.898 -3.184 6.774 1.00 . A A . 5 ARG C 1 1 20 13012 1 1 5 ARG CA C 4.134 -2.044 7.472 1.00 . A A . 5 ARG CA 1 1 20 13013 1 1 5 ARG CB C 4.159 -2.169 9.014 1.00 . A A . 5 ARG CB 1 1 20 13014 1 1 5 ARG CD C 3.659 -3.641 10.976 1.00 . A A . 5 ARG CD 1 1 20 13015 1 1 5 ARG CG C 3.972 -3.619 9.477 1.00 . A A . 5 ARG CG 1 1 20 13016 1 1 5 ARG CZ C 5.799 -3.854 12.091 1.00 . A A . 5 ARG CZ 1 1 20 13017 1 1 5 ARG H H 2.295 -1.164 6.794 1.00 . A A . 5 ARG H 1 1 20 13018 1 1 5 ARG HA H 4.604 -1.108 7.197 1.00 . A A . 5 ARG HA 1 1 20 13019 1 1 5 ARG HB2 H 5.108 -1.806 9.381 1.00 . A A . 5 ARG HB2 1 1 20 13020 1 1 5 ARG HB3 H 3.369 -1.562 9.430 1.00 . A A . 5 ARG HB3 1 1 20 13021 1 1 5 ARG HD2 H 2.778 -3.047 11.166 1.00 . A A . 5 ARG HD2 1 1 20 13022 1 1 5 ARG HD3 H 3.478 -4.659 11.289 1.00 . A A . 5 ARG HD3 1 1 20 13023 1 1 5 ARG HE H 4.815 -2.133 11.987 1.00 . A A . 5 ARG HE 1 1 20 13024 1 1 5 ARG HG2 H 3.162 -4.073 8.935 1.00 . A A . 5 ARG HG2 1 1 20 13025 1 1 5 ARG HG3 H 4.881 -4.173 9.304 1.00 . A A . 5 ARG HG3 1 1 20 13026 1 1 5 ARG HH11 H 5.043 -5.493 11.218 1.00 . A A . 5 ARG HH11 1 1 20 13027 1 1 5 ARG HH12 H 6.561 -5.707 12.023 1.00 . A A . 5 ARG HH12 1 1 20 13028 1 1 5 ARG HH21 H 6.794 -2.399 13.035 1.00 . A A . 5 ARG HH21 1 1 20 13029 1 1 5 ARG HH22 H 7.552 -3.955 13.050 1.00 . A A . 5 ARG HH22 1 1 20 13030 1 1 5 ARG N N 2.729 -2.021 6.981 1.00 . A A . 5 ARG N 1 1 20 13031 1 1 5 ARG NE N 4.809 -3.081 11.739 1.00 . A A . 5 ARG NE 1 1 20 13032 1 1 5 ARG NH1 N 5.800 -5.115 11.750 1.00 . A A . 5 ARG NH1 1 1 20 13033 1 1 5 ARG NH2 N 6.792 -3.364 12.779 1.00 . A A . 5 ARG NH2 1 1 20 13034 1 1 5 ARG O O 5.116 -4.249 7.312 1.00 . A A . 5 ARG O 1 1 20 13035 1 1 6 ALA C C 6.382 -3.404 3.377 1.00 . A A . 6 ALA C 1 1 20 13036 1 1 6 ALA CA C 6.044 -3.973 4.759 1.00 . A A . 6 ALA CA 1 1 20 13037 1 1 6 ALA CB C 5.182 -5.227 4.576 1.00 . A A . 6 ALA CB 1 1 20 13038 1 1 6 ALA H H 5.095 -2.072 5.143 1.00 . A A . 6 ALA H 1 1 20 13039 1 1 6 ALA HA H 6.957 -4.234 5.275 1.00 . A A . 6 ALA HA 1 1 20 13040 1 1 6 ALA HB1 H 4.921 -5.634 5.540 1.00 . A A . 6 ALA HB1 1 1 20 13041 1 1 6 ALA HB2 H 5.737 -5.965 4.016 1.00 . A A . 6 ALA HB2 1 1 20 13042 1 1 6 ALA HB3 H 4.284 -4.971 4.037 1.00 . A A . 6 ALA HB3 1 1 20 13043 1 1 6 ALA N N 5.298 -2.942 5.549 1.00 . A A . 6 ALA N 1 1 20 13044 1 1 6 ALA O O 5.527 -2.925 2.659 1.00 . A A . 6 ALA O 1 1 20 13045 1 1 7 TRP C C 7.145 -3.326 0.558 1.00 . A A . 7 TRP C 1 1 20 13046 1 1 7 TRP CA C 8.079 -2.890 1.699 1.00 . A A . 7 TRP CA 1 1 20 13047 1 1 7 TRP CB C 9.501 -3.373 1.409 1.00 . A A . 7 TRP CB 1 1 20 13048 1 1 7 TRP CD1 C 10.323 -1.593 -0.188 1.00 . A A . 7 TRP CD1 1 1 20 13049 1 1 7 TRP CD2 C 10.049 -3.594 -1.181 1.00 . A A . 7 TRP CD2 1 1 20 13050 1 1 7 TRP CE2 C 10.502 -2.703 -2.183 1.00 . A A . 7 TRP CE2 1 1 20 13051 1 1 7 TRP CE3 C 9.797 -4.929 -1.543 1.00 . A A . 7 TRP CE3 1 1 20 13052 1 1 7 TRP CG C 9.937 -2.863 0.075 1.00 . A A . 7 TRP CG 1 1 20 13053 1 1 7 TRP CH2 C 10.446 -4.458 -3.841 1.00 . A A . 7 TRP CH2 1 1 20 13054 1 1 7 TRP CZ2 C 10.698 -3.127 -3.500 1.00 . A A . 7 TRP CZ2 1 1 20 13055 1 1 7 TRP CZ3 C 9.997 -5.358 -2.865 1.00 . A A . 7 TRP CZ3 1 1 20 13056 1 1 7 TRP H H 8.304 -3.821 3.624 1.00 . A A . 7 TRP H 1 1 20 13057 1 1 7 TRP HA H 8.085 -1.820 1.756 1.00 . A A . 7 TRP HA 1 1 20 13058 1 1 7 TRP HB2 H 10.166 -3.004 2.174 1.00 . A A . 7 TRP HB2 1 1 20 13059 1 1 7 TRP HB3 H 9.520 -4.455 1.406 1.00 . A A . 7 TRP HB3 1 1 20 13060 1 1 7 TRP HD1 H 10.361 -0.786 0.530 1.00 . A A . 7 TRP HD1 1 1 20 13061 1 1 7 TRP HE1 H 10.962 -0.680 -1.978 1.00 . A A . 7 TRP HE1 1 1 20 13062 1 1 7 TRP HE3 H 9.452 -5.631 -0.799 1.00 . A A . 7 TRP HE3 1 1 20 13063 1 1 7 TRP HH2 H 10.601 -4.795 -4.855 1.00 . A A . 7 TRP HH2 1 1 20 13064 1 1 7 TRP HZ2 H 11.036 -2.433 -4.251 1.00 . A A . 7 TRP HZ2 1 1 20 13065 1 1 7 TRP HZ3 H 9.802 -6.385 -3.132 1.00 . A A . 7 TRP HZ3 1 1 20 13066 1 1 7 TRP N N 7.638 -3.441 3.016 1.00 . A A . 7 TRP N 1 1 20 13067 1 1 7 TRP NE1 N 10.654 -1.494 -1.529 1.00 . A A . 7 TRP NE1 1 1 20 13068 1 1 7 TRP O O 6.793 -4.480 0.431 1.00 . A A . 7 TRP O 1 1 20 13069 1 1 8 CYS C C 6.592 -2.249 -2.736 1.00 . A A . 8 CYS C 1 1 20 13070 1 1 8 CYS CA C 5.879 -2.705 -1.453 1.00 . A A . 8 CYS CA 1 1 20 13071 1 1 8 CYS CB C 4.541 -1.944 -1.291 1.00 . A A . 8 CYS CB 1 1 20 13072 1 1 8 CYS H H 7.092 -1.470 -0.155 1.00 . A A . 8 CYS H 1 1 20 13073 1 1 8 CYS HA H 5.687 -3.776 -1.514 1.00 . A A . 8 CYS HA 1 1 20 13074 1 1 8 CYS HB2 H 3.817 -2.579 -0.806 1.00 . A A . 8 CYS HB2 1 1 20 13075 1 1 8 CYS HB3 H 4.700 -1.062 -0.691 1.00 . A A . 8 CYS HB3 1 1 20 13076 1 1 8 CYS N N 6.770 -2.393 -0.284 1.00 . A A . 8 CYS N 1 1 20 13077 1 1 8 CYS O O 7.147 -1.171 -2.798 1.00 . A A . 8 CYS O 1 1 20 13078 1 1 8 CYS SG S 3.887 -1.448 -2.903 1.00 . A A . 8 CYS SG 1 1 20 13079 1 1 9 LYS C C 6.264 -1.774 -5.826 1.00 . A A . 9 LYS C 1 1 20 13080 1 1 9 LYS CA C 7.232 -2.667 -5.045 1.00 . A A . 9 LYS CA 1 1 20 13081 1 1 9 LYS CB C 7.551 -3.943 -5.839 1.00 . A A . 9 LYS CB 1 1 20 13082 1 1 9 LYS CD C 8.097 -4.936 -8.068 1.00 . A A . 9 LYS CD 1 1 20 13083 1 1 9 LYS CE C 8.383 -4.636 -9.546 1.00 . A A . 9 LYS CE 1 1 20 13084 1 1 9 LYS CG C 7.837 -3.627 -7.311 1.00 . A A . 9 LYS CG 1 1 20 13085 1 1 9 LYS H H 6.106 -3.918 -3.694 1.00 . A A . 9 LYS H 1 1 20 13086 1 1 9 LYS HA H 8.144 -2.126 -4.835 1.00 . A A . 9 LYS HA 1 1 20 13087 1 1 9 LYS HB2 H 8.410 -4.423 -5.407 1.00 . A A . 9 LYS HB2 1 1 20 13088 1 1 9 LYS HB3 H 6.719 -4.603 -5.778 1.00 . A A . 9 LYS HB3 1 1 20 13089 1 1 9 LYS HD2 H 8.948 -5.442 -7.629 1.00 . A A . 9 LYS HD2 1 1 20 13090 1 1 9 LYS HD3 H 7.228 -5.575 -7.994 1.00 . A A . 9 LYS HD3 1 1 20 13091 1 1 9 LYS HE2 H 8.849 -3.666 -9.635 1.00 . A A . 9 LYS HE2 1 1 20 13092 1 1 9 LYS HE3 H 9.044 -5.392 -9.946 1.00 . A A . 9 LYS HE3 1 1 20 13093 1 1 9 LYS HG2 H 6.984 -3.130 -7.749 1.00 . A A . 9 LYS HG2 1 1 20 13094 1 1 9 LYS HG3 H 8.705 -2.990 -7.384 1.00 . A A . 9 LYS HG3 1 1 20 13095 1 1 9 LYS HZ1 H 7.181 -4.015 -11.133 1.00 . A A . 9 LYS HZ1 1 1 20 13096 1 1 9 LYS HZ2 H 6.327 -4.318 -9.698 1.00 . A A . 9 LYS HZ2 1 1 20 13097 1 1 9 LYS HZ3 H 6.898 -5.615 -10.636 1.00 . A A . 9 LYS HZ3 1 1 20 13098 1 1 9 LYS N N 6.568 -3.056 -3.762 1.00 . A A . 9 LYS N 1 1 20 13099 1 1 9 LYS NZ N 7.101 -4.647 -10.311 1.00 . A A . 9 LYS NZ 1 1 20 13100 1 1 9 LYS O O 6.644 -0.773 -6.400 1.00 . A A . 9 LYS O 1 1 20 13101 1 1 10 GLU C C 2.642 -1.596 -5.862 1.00 . A A . 10 GLU C 1 1 20 13102 1 1 10 GLU CA C 3.981 -1.306 -6.508 1.00 . A A . 10 GLU CA 1 1 20 13103 1 1 10 GLU CB C 3.934 -1.637 -8.003 1.00 . A A . 10 GLU CB 1 1 20 13104 1 1 10 GLU CD C 2.839 -1.085 -10.191 1.00 . A A . 10 GLU CD 1 1 20 13105 1 1 10 GLU CG C 2.732 -0.960 -8.670 1.00 . A A . 10 GLU CG 1 1 20 13106 1 1 10 GLU H H 4.742 -2.924 -5.318 1.00 . A A . 10 GLU H 1 1 20 13107 1 1 10 GLU HA H 4.217 -0.258 -6.381 1.00 . A A . 10 GLU HA 1 1 20 13108 1 1 10 GLU HB2 H 4.828 -1.271 -8.463 1.00 . A A . 10 GLU HB2 1 1 20 13109 1 1 10 GLU HB3 H 3.863 -2.703 -8.135 1.00 . A A . 10 GLU HB3 1 1 20 13110 1 1 10 GLU HG2 H 1.826 -1.442 -8.348 1.00 . A A . 10 GLU HG2 1 1 20 13111 1 1 10 GLU HG3 H 2.706 0.084 -8.397 1.00 . A A . 10 GLU HG3 1 1 20 13112 1 1 10 GLU N N 5.013 -2.123 -5.814 1.00 . A A . 10 GLU N 1 1 20 13113 1 1 10 GLU O O 2.540 -2.387 -4.950 1.00 . A A . 10 GLU O 1 1 20 13114 1 1 10 GLU OE1 O 3.629 -1.896 -10.646 1.00 . A A . 10 GLU OE1 1 1 20 13115 1 1 10 GLU OE2 O 2.130 -0.366 -10.875 1.00 . A A . 10 GLU OE2 1 1 20 13116 1 1 11 LYS C C -0.051 -2.709 -5.847 1.00 . A A . 11 LYS C 1 1 20 13117 1 1 11 LYS CA C 0.282 -1.220 -5.719 1.00 . A A . 11 LYS CA 1 1 20 13118 1 1 11 LYS CB C -0.787 -0.389 -6.440 1.00 . A A . 11 LYS CB 1 1 20 13119 1 1 11 LYS CD C -3.200 0.334 -6.369 1.00 . A A . 11 LYS CD 1 1 20 13120 1 1 11 LYS CE C -4.117 -0.510 -7.259 1.00 . A A . 11 LYS CE 1 1 20 13121 1 1 11 LYS CG C -2.131 -0.563 -5.721 1.00 . A A . 11 LYS CG 1 1 20 13122 1 1 11 LYS H H 1.733 -0.342 -7.072 1.00 . A A . 11 LYS H 1 1 20 13123 1 1 11 LYS HA H 0.309 -0.948 -4.674 1.00 . A A . 11 LYS HA 1 1 20 13124 1 1 11 LYS HB2 H -0.500 0.653 -6.429 1.00 . A A . 11 LYS HB2 1 1 20 13125 1 1 11 LYS HB3 H -0.879 -0.727 -7.462 1.00 . A A . 11 LYS HB3 1 1 20 13126 1 1 11 LYS HD2 H -3.791 0.803 -5.594 1.00 . A A . 11 LYS HD2 1 1 20 13127 1 1 11 LYS HD3 H -2.726 1.098 -6.968 1.00 . A A . 11 LYS HD3 1 1 20 13128 1 1 11 LYS HE2 H -4.784 -1.091 -6.641 1.00 . A A . 11 LYS HE2 1 1 20 13129 1 1 11 LYS HE3 H -4.693 0.138 -7.902 1.00 . A A . 11 LYS HE3 1 1 20 13130 1 1 11 LYS HG2 H -2.438 -1.597 -5.783 1.00 . A A . 11 LYS HG2 1 1 20 13131 1 1 11 LYS HG3 H -2.015 -0.288 -4.684 1.00 . A A . 11 LYS HG3 1 1 20 13132 1 1 11 LYS HZ1 H -2.520 -1.823 -7.516 1.00 . A A . 11 LYS HZ1 1 1 20 13133 1 1 11 LYS HZ2 H -2.882 -0.903 -8.892 1.00 . A A . 11 LYS HZ2 1 1 20 13134 1 1 11 LYS HZ3 H -3.884 -2.203 -8.452 1.00 . A A . 11 LYS HZ3 1 1 20 13135 1 1 11 LYS N N 1.618 -0.972 -6.324 1.00 . A A . 11 LYS N 1 1 20 13136 1 1 11 LYS NZ N -3.287 -1.429 -8.093 1.00 . A A . 11 LYS NZ 1 1 20 13137 1 1 11 LYS O O -0.532 -3.329 -4.921 1.00 . A A . 11 LYS O 1 1 20 13138 1 1 12 LYS C C 0.851 -5.606 -6.357 1.00 . A A . 12 LYS C 1 1 20 13139 1 1 12 LYS CA C -0.106 -4.729 -7.190 1.00 . A A . 12 LYS CA 1 1 20 13140 1 1 12 LYS CB C 0.025 -5.068 -8.684 1.00 . A A . 12 LYS CB 1 1 20 13141 1 1 12 LYS CD C -0.182 -7.581 -8.817 1.00 . A A . 12 LYS CD 1 1 20 13142 1 1 12 LYS CE C -1.210 -8.679 -8.515 1.00 . A A . 12 LYS CE 1 1 20 13143 1 1 12 LYS CG C -0.901 -6.244 -9.047 1.00 . A A . 12 LYS CG 1 1 20 13144 1 1 12 LYS H H 0.587 -2.762 -7.724 1.00 . A A . 12 LYS H 1 1 20 13145 1 1 12 LYS HA H -1.118 -4.917 -6.867 1.00 . A A . 12 LYS HA 1 1 20 13146 1 1 12 LYS HB2 H -0.253 -4.202 -9.271 1.00 . A A . 12 LYS HB2 1 1 20 13147 1 1 12 LYS HB3 H 1.047 -5.334 -8.908 1.00 . A A . 12 LYS HB3 1 1 20 13148 1 1 12 LYS HD2 H 0.375 -7.845 -9.707 1.00 . A A . 12 LYS HD2 1 1 20 13149 1 1 12 LYS HD3 H 0.497 -7.492 -7.986 1.00 . A A . 12 LYS HD3 1 1 20 13150 1 1 12 LYS HE2 H -2.151 -8.439 -8.990 1.00 . A A . 12 LYS HE2 1 1 20 13151 1 1 12 LYS HE3 H -0.849 -9.625 -8.891 1.00 . A A . 12 LYS HE3 1 1 20 13152 1 1 12 LYS HG2 H -1.793 -6.205 -8.438 1.00 . A A . 12 LYS HG2 1 1 20 13153 1 1 12 LYS HG3 H -1.181 -6.167 -10.087 1.00 . A A . 12 LYS HG3 1 1 20 13154 1 1 12 LYS HZ1 H -2.195 -9.420 -6.835 1.00 . A A . 12 LYS HZ1 1 1 20 13155 1 1 12 LYS HZ2 H -1.625 -7.833 -6.658 1.00 . A A . 12 LYS HZ2 1 1 20 13156 1 1 12 LYS HZ3 H -0.537 -9.135 -6.598 1.00 . A A . 12 LYS HZ3 1 1 20 13157 1 1 12 LYS N N 0.200 -3.283 -6.990 1.00 . A A . 12 LYS N 1 1 20 13158 1 1 12 LYS NZ N -1.407 -8.775 -7.041 1.00 . A A . 12 LYS NZ 1 1 20 13159 1 1 12 LYS O O 0.462 -6.632 -5.836 1.00 . A A . 12 LYS O 1 1 20 13160 1 1 13 ASP C C 2.623 -6.212 -4.022 1.00 . A A . 13 ASP C 1 1 20 13161 1 1 13 ASP CA C 3.071 -6.076 -5.474 1.00 . A A . 13 ASP CA 1 1 20 13162 1 1 13 ASP CB C 4.458 -5.437 -5.481 1.00 . A A . 13 ASP CB 1 1 20 13163 1 1 13 ASP CG C 5.517 -6.523 -5.255 1.00 . A A . 13 ASP CG 1 1 20 13164 1 1 13 ASP H H 2.410 -4.413 -6.688 1.00 . A A . 13 ASP H 1 1 20 13165 1 1 13 ASP HA H 3.127 -7.056 -5.923 1.00 . A A . 13 ASP HA 1 1 20 13166 1 1 13 ASP HB2 H 4.629 -4.947 -6.420 1.00 . A A . 13 ASP HB2 1 1 20 13167 1 1 13 ASP HB3 H 4.525 -4.708 -4.686 1.00 . A A . 13 ASP HB3 1 1 20 13168 1 1 13 ASP N N 2.102 -5.231 -6.248 1.00 . A A . 13 ASP N 1 1 20 13169 1 1 13 ASP O O 2.998 -7.140 -3.336 1.00 . A A . 13 ASP O 1 1 20 13170 1 1 13 ASP OD1 O 5.528 -7.478 -6.013 1.00 . A A . 13 ASP OD1 1 1 20 13171 1 1 13 ASP OD2 O 6.306 -6.374 -4.334 1.00 . A A . 13 ASP OD2 1 1 20 13172 1 1 14 CYS C C 0.265 -6.382 -2.019 1.00 . A A . 14 CYS C 1 1 20 13173 1 1 14 CYS CA C 1.404 -5.379 -2.122 1.00 . A A . 14 CYS CA 1 1 20 13174 1 1 14 CYS CB C 0.946 -3.995 -1.676 1.00 . A A . 14 CYS CB 1 1 20 13175 1 1 14 CYS H H 1.558 -4.543 -4.098 1.00 . A A . 14 CYS H 1 1 20 13176 1 1 14 CYS HA H 2.231 -5.702 -1.504 1.00 . A A . 14 CYS HA 1 1 20 13177 1 1 14 CYS HB2 H 1.803 -3.366 -1.575 1.00 . A A . 14 CYS HB2 1 1 20 13178 1 1 14 CYS HB3 H 0.275 -3.580 -2.414 1.00 . A A . 14 CYS HB3 1 1 20 13179 1 1 14 CYS N N 1.842 -5.295 -3.538 1.00 . A A . 14 CYS N 1 1 20 13180 1 1 14 CYS O O -0.551 -6.504 -2.908 1.00 . A A . 14 CYS O 1 1 20 13181 1 1 14 CYS SG S 0.117 -4.070 -0.084 1.00 . A A . 14 CYS SG 1 1 20 13182 1 1 15 CYS C C -2.180 -7.530 -1.052 1.00 . A A . 15 CYS C 1 1 20 13183 1 1 15 CYS CA C -0.819 -8.161 -0.814 1.00 . A A . 15 CYS CA 1 1 20 13184 1 1 15 CYS CB C -0.738 -8.774 0.586 1.00 . A A . 15 CYS CB 1 1 20 13185 1 1 15 CYS H H 0.914 -7.036 -0.259 1.00 . A A . 15 CYS H 1 1 20 13186 1 1 15 CYS HA H -0.658 -8.933 -1.552 1.00 . A A . 15 CYS HA 1 1 20 13187 1 1 15 CYS HB2 H -0.014 -8.227 1.172 1.00 . A A . 15 CYS HB2 1 1 20 13188 1 1 15 CYS HB3 H -1.699 -8.718 1.064 1.00 . A A . 15 CYS HB3 1 1 20 13189 1 1 15 CYS N N 0.231 -7.132 -0.955 1.00 . A A . 15 CYS N 1 1 20 13190 1 1 15 CYS O O -2.577 -6.593 -0.388 1.00 . A A . 15 CYS O 1 1 20 13191 1 1 15 CYS SG S -0.221 -10.505 0.454 1.00 . A A . 15 CYS SG 1 1 20 13192 1 1 16 CYS C C -4.948 -7.108 -1.015 1.00 . A A . 16 CYS C 1 1 20 13193 1 1 16 CYS CA C -4.237 -7.494 -2.321 1.00 . A A . 16 CYS CA 1 1 20 13194 1 1 16 CYS CB C -5.044 -8.560 -3.065 1.00 . A A . 16 CYS CB 1 1 20 13195 1 1 16 CYS H H -2.541 -8.799 -2.530 1.00 . A A . 16 CYS H 1 1 20 13196 1 1 16 CYS HA H -4.133 -6.621 -2.945 1.00 . A A . 16 CYS HA 1 1 20 13197 1 1 16 CYS HB2 H -4.372 -9.210 -3.603 1.00 . A A . 16 CYS HB2 1 1 20 13198 1 1 16 CYS HB3 H -5.612 -9.143 -2.359 1.00 . A A . 16 CYS HB3 1 1 20 13199 1 1 16 CYS N N -2.895 -8.043 -2.011 1.00 . A A . 16 CYS N 1 1 20 13200 1 1 16 CYS O O -4.893 -7.821 -0.032 1.00 . A A . 16 CYS O 1 1 20 13201 1 1 16 CYS SG S -6.169 -7.764 -4.235 1.00 . A A . 16 CYS SG 1 1 20 13202 1 1 17 GLY C C -5.486 -4.484 0.979 1.00 . A A . 17 GLY C 1 1 20 13203 1 1 17 GLY CA C -6.316 -5.538 0.238 1.00 . A A . 17 GLY CA 1 1 20 13204 1 1 17 GLY H H -5.634 -5.418 -1.803 1.00 . A A . 17 GLY H 1 1 20 13205 1 1 17 GLY HA2 H -7.270 -5.111 -0.032 1.00 . A A . 17 GLY HA2 1 1 20 13206 1 1 17 GLY HA3 H -6.475 -6.385 0.888 1.00 . A A . 17 GLY HA3 1 1 20 13207 1 1 17 GLY N N -5.607 -5.979 -1.000 1.00 . A A . 17 GLY N 1 1 20 13208 1 1 17 GLY O O -5.980 -3.810 1.861 1.00 . A A . 17 GLY O 1 1 20 13209 1 1 18 TYR C C -3.036 -2.169 0.384 1.00 . A A . 18 TYR C 1 1 20 13210 1 1 18 TYR CA C -3.385 -3.319 1.336 1.00 . A A . 18 TYR CA 1 1 20 13211 1 1 18 TYR CB C -2.114 -3.997 1.838 1.00 . A A . 18 TYR CB 1 1 20 13212 1 1 18 TYR CD1 C -2.453 -4.252 4.305 1.00 . A A . 18 TYR CD1 1 1 20 13213 1 1 18 TYR CD2 C -2.744 -6.192 2.886 1.00 . A A . 18 TYR CD2 1 1 20 13214 1 1 18 TYR CE1 C -2.767 -5.024 5.427 1.00 . A A . 18 TYR CE1 1 1 20 13215 1 1 18 TYR CE2 C -3.056 -6.968 4.009 1.00 . A A . 18 TYR CE2 1 1 20 13216 1 1 18 TYR CG C -2.443 -4.838 3.040 1.00 . A A . 18 TYR CG 1 1 20 13217 1 1 18 TYR CZ C -3.068 -6.381 5.281 1.00 . A A . 18 TYR CZ 1 1 20 13218 1 1 18 TYR H H -3.830 -4.910 -0.115 1.00 . A A . 18 TYR H 1 1 20 13219 1 1 18 TYR HA H -3.927 -2.920 2.180 1.00 . A A . 18 TYR HA 1 1 20 13220 1 1 18 TYR HB2 H -1.720 -4.628 1.065 1.00 . A A . 18 TYR HB2 1 1 20 13221 1 1 18 TYR HB3 H -1.387 -3.252 2.112 1.00 . A A . 18 TYR HB3 1 1 20 13222 1 1 18 TYR HD1 H -2.216 -3.203 4.414 1.00 . A A . 18 TYR HD1 1 1 20 13223 1 1 18 TYR HD2 H -2.733 -6.638 1.902 1.00 . A A . 18 TYR HD2 1 1 20 13224 1 1 18 TYR HE1 H -2.779 -4.572 6.408 1.00 . A A . 18 TYR HE1 1 1 20 13225 1 1 18 TYR HE2 H -3.289 -8.018 3.896 1.00 . A A . 18 TYR HE2 1 1 20 13226 1 1 18 TYR HH H -2.973 -8.003 6.286 1.00 . A A . 18 TYR HH 1 1 20 13227 1 1 18 TYR N N -4.233 -4.332 0.637 1.00 . A A . 18 TYR N 1 1 20 13228 1 1 18 TYR O O -2.960 -2.342 -0.816 1.00 . A A . 18 TYR O 1 1 20 13229 1 1 18 TYR OH O -3.379 -7.138 6.393 1.00 . A A . 18 TYR OH 1 1 20 13230 1 1 19 ASN C C -1.008 0.436 0.041 1.00 . A A . 19 ASN C 1 1 20 13231 1 1 19 ASN CA C -2.521 0.200 0.058 1.00 . A A . 19 ASN CA 1 1 20 13232 1 1 19 ASN CB C -3.224 1.429 0.646 1.00 . A A . 19 ASN CB 1 1 20 13233 1 1 19 ASN CG C -2.599 2.718 0.107 1.00 . A A . 19 ASN CG 1 1 20 13234 1 1 19 ASN H H -2.927 -0.868 1.895 1.00 . A A . 19 ASN H 1 1 20 13235 1 1 19 ASN HA H -2.875 0.026 -0.948 1.00 . A A . 19 ASN HA 1 1 20 13236 1 1 19 ASN HB2 H -4.267 1.405 0.379 1.00 . A A . 19 ASN HB2 1 1 20 13237 1 1 19 ASN HB3 H -3.131 1.413 1.722 1.00 . A A . 19 ASN HB3 1 1 20 13238 1 1 19 ASN HD21 H -1.806 3.223 1.855 1.00 . A A . 19 ASN HD21 1 1 20 13239 1 1 19 ASN HD22 H -1.531 4.318 0.596 1.00 . A A . 19 ASN HD22 1 1 20 13240 1 1 19 ASN N N -2.844 -0.985 0.919 1.00 . A A . 19 ASN N 1 1 20 13241 1 1 19 ASN ND2 N -1.917 3.482 0.918 1.00 . A A . 19 ASN ND2 1 1 20 13242 1 1 19 ASN O O -0.374 0.454 1.071 1.00 . A A . 19 ASN O 1 1 20 13243 1 1 19 ASN OD1 O -2.724 3.029 -1.062 1.00 . A A . 19 ASN OD1 1 1 20 13244 1 1 20 CYS C C 1.336 2.348 -1.013 1.00 . A A . 20 CYS C 1 1 20 13245 1 1 20 CYS CA C 1.038 0.863 -1.206 1.00 . A A . 20 CYS CA 1 1 20 13246 1 1 20 CYS CB C 1.516 0.434 -2.593 1.00 . A A . 20 CYS CB 1 1 20 13247 1 1 20 CYS H H -0.951 0.614 -1.945 1.00 . A A . 20 CYS H 1 1 20 13248 1 1 20 CYS HA H 1.547 0.284 -0.454 1.00 . A A . 20 CYS HA 1 1 20 13249 1 1 20 CYS HB2 H 0.746 0.633 -3.304 1.00 . A A . 20 CYS HB2 1 1 20 13250 1 1 20 CYS HB3 H 2.384 0.985 -2.860 1.00 . A A . 20 CYS HB3 1 1 20 13251 1 1 20 CYS N N -0.426 0.627 -1.122 1.00 . A A . 20 CYS N 1 1 20 13252 1 1 20 CYS O O 0.604 3.206 -1.468 1.00 . A A . 20 CYS O 1 1 20 13253 1 1 20 CYS SG S 1.888 -1.330 -2.612 1.00 . A A . 20 CYS SG 1 1 20 13254 1 1 21 VAL C C 4.276 4.247 -0.417 1.00 . A A . 21 VAL C 1 1 20 13255 1 1 21 VAL CA C 2.781 4.084 -0.122 1.00 . A A . 21 VAL CA 1 1 20 13256 1 1 21 VAL CB C 2.467 4.469 1.341 1.00 . A A . 21 VAL CB 1 1 20 13257 1 1 21 VAL CG1 C 3.709 4.305 2.232 1.00 . A A . 21 VAL CG1 1 1 20 13258 1 1 21 VAL CG2 C 1.985 5.923 1.403 1.00 . A A . 21 VAL CG2 1 1 20 13259 1 1 21 VAL H H 2.995 1.944 0.020 1.00 . A A . 21 VAL H 1 1 20 13260 1 1 21 VAL HA H 2.212 4.711 -0.793 1.00 . A A . 21 VAL HA 1 1 20 13261 1 1 21 VAL HB H 1.686 3.822 1.713 1.00 . A A . 21 VAL HB 1 1 20 13262 1 1 21 VAL HG11 H 4.296 3.473 1.891 1.00 . A A . 21 VAL HG11 1 1 20 13263 1 1 21 VAL HG12 H 3.400 4.123 3.252 1.00 . A A . 21 VAL HG12 1 1 20 13264 1 1 21 VAL HG13 H 4.305 5.207 2.193 1.00 . A A . 21 VAL HG13 1 1 20 13265 1 1 21 VAL HG21 H 2.534 6.516 0.685 1.00 . A A . 21 VAL HG21 1 1 20 13266 1 1 21 VAL HG22 H 2.148 6.317 2.396 1.00 . A A . 21 VAL HG22 1 1 20 13267 1 1 21 VAL HG23 H 0.930 5.961 1.170 1.00 . A A . 21 VAL HG23 1 1 20 13268 1 1 21 VAL N N 2.416 2.657 -0.346 1.00 . A A . 21 VAL N 1 1 20 13269 1 1 21 VAL O O 5.061 3.367 -0.133 1.00 . A A . 21 VAL O 1 1 20 13270 1 1 22 TYR C C 6.687 6.619 -0.342 1.00 . A A . 22 TYR C 1 1 20 13271 1 1 22 TYR CA C 6.132 5.544 -1.281 1.00 . A A . 22 TYR CA 1 1 20 13272 1 1 22 TYR CB C 6.291 6.004 -2.737 1.00 . A A . 22 TYR CB 1 1 20 13273 1 1 22 TYR CD1 C 8.767 5.473 -2.413 1.00 . A A . 22 TYR CD1 1 1 20 13274 1 1 22 TYR CD2 C 7.844 5.498 -4.657 1.00 . A A . 22 TYR CD2 1 1 20 13275 1 1 22 TYR CE1 C 10.024 5.152 -2.935 1.00 . A A . 22 TYR CE1 1 1 20 13276 1 1 22 TYR CE2 C 9.104 5.176 -5.174 1.00 . A A . 22 TYR CE2 1 1 20 13277 1 1 22 TYR CG C 7.668 5.648 -3.275 1.00 . A A . 22 TYR CG 1 1 20 13278 1 1 22 TYR CZ C 10.193 5.005 -4.313 1.00 . A A . 22 TYR CZ 1 1 20 13279 1 1 22 TYR H H 4.000 6.086 -1.225 1.00 . A A . 22 TYR H 1 1 20 13280 1 1 22 TYR HA H 6.663 4.616 -1.132 1.00 . A A . 22 TYR HA 1 1 20 13281 1 1 22 TYR HB2 H 5.538 5.520 -3.345 1.00 . A A . 22 TYR HB2 1 1 20 13282 1 1 22 TYR HB3 H 6.153 7.074 -2.791 1.00 . A A . 22 TYR HB3 1 1 20 13283 1 1 22 TYR HD1 H 8.651 5.584 -1.351 1.00 . A A . 22 TYR HD1 1 1 20 13284 1 1 22 TYR HD2 H 7.007 5.630 -5.326 1.00 . A A . 22 TYR HD2 1 1 20 13285 1 1 22 TYR HE1 H 10.863 5.020 -2.271 1.00 . A A . 22 TYR HE1 1 1 20 13286 1 1 22 TYR HE2 H 9.237 5.061 -6.240 1.00 . A A . 22 TYR HE2 1 1 20 13287 1 1 22 TYR HH H 11.955 5.494 -4.847 1.00 . A A . 22 TYR HH 1 1 20 13288 1 1 22 TYR N N 4.679 5.350 -0.983 1.00 . A A . 22 TYR N 1 1 20 13289 1 1 22 TYR O O 6.348 7.779 -0.454 1.00 . A A . 22 TYR O 1 1 20 13290 1 1 22 TYR OH O 11.433 4.691 -4.825 1.00 . A A . 22 TYR OH 1 1 20 13291 1 1 23 ALA C C 9.381 7.867 0.884 1.00 . A A . 23 ALA C 1 1 20 13292 1 1 23 ALA CA C 8.112 7.283 1.499 1.00 . A A . 23 ALA CA 1 1 20 13293 1 1 23 ALA CB C 8.457 6.654 2.850 1.00 . A A . 23 ALA CB 1 1 20 13294 1 1 23 ALA H H 7.824 5.311 0.658 1.00 . A A . 23 ALA H 1 1 20 13295 1 1 23 ALA HA H 7.389 8.072 1.644 1.00 . A A . 23 ALA HA 1 1 20 13296 1 1 23 ALA HB1 H 9.236 7.232 3.323 1.00 . A A . 23 ALA HB1 1 1 20 13297 1 1 23 ALA HB2 H 8.802 5.644 2.702 1.00 . A A . 23 ALA HB2 1 1 20 13298 1 1 23 ALA HB3 H 7.581 6.648 3.482 1.00 . A A . 23 ALA HB3 1 1 20 13299 1 1 23 ALA N N 7.548 6.254 0.579 1.00 . A A . 23 ALA N 1 1 20 13300 1 1 23 ALA O O 10.461 7.341 1.055 1.00 . A A . 23 ALA O 1 1 20 13301 1 1 24 TRP C C 11.524 9.819 0.636 1.00 . A A . 24 TRP C 1 1 20 13302 1 1 24 TRP CA C 10.462 9.565 -0.448 1.00 . A A . 24 TRP CA 1 1 20 13303 1 1 24 TRP CB C 10.054 10.879 -1.133 1.00 . A A . 24 TRP CB 1 1 20 13304 1 1 24 TRP CD1 C 10.797 12.576 0.577 1.00 . A A . 24 TRP CD1 1 1 20 13305 1 1 24 TRP CD2 C 11.984 12.702 -1.327 1.00 . A A . 24 TRP CD2 1 1 20 13306 1 1 24 TRP CE2 C 12.501 13.695 -0.462 1.00 . A A . 24 TRP CE2 1 1 20 13307 1 1 24 TRP CE3 C 12.559 12.569 -2.604 1.00 . A A . 24 TRP CE3 1 1 20 13308 1 1 24 TRP CG C 10.905 12.005 -0.641 1.00 . A A . 24 TRP CG 1 1 20 13309 1 1 24 TRP CH2 C 14.113 14.380 -2.124 1.00 . A A . 24 TRP CH2 1 1 20 13310 1 1 24 TRP CZ2 C 13.553 14.526 -0.851 1.00 . A A . 24 TRP CZ2 1 1 20 13311 1 1 24 TRP CZ3 C 13.616 13.404 -2.999 1.00 . A A . 24 TRP CZ3 1 1 20 13312 1 1 24 TRP H H 8.379 9.358 0.049 1.00 . A A . 24 TRP H 1 1 20 13313 1 1 24 TRP HA H 10.864 8.886 -1.185 1.00 . A A . 24 TRP HA 1 1 20 13314 1 1 24 TRP HB2 H 10.177 10.781 -2.204 1.00 . A A . 24 TRP HB2 1 1 20 13315 1 1 24 TRP HB3 H 9.017 11.091 -0.915 1.00 . A A . 24 TRP HB3 1 1 20 13316 1 1 24 TRP HD1 H 10.090 12.289 1.338 1.00 . A A . 24 TRP HD1 1 1 20 13317 1 1 24 TRP HE1 H 11.880 14.145 1.477 1.00 . A A . 24 TRP HE1 1 1 20 13318 1 1 24 TRP HE3 H 12.182 11.820 -3.286 1.00 . A A . 24 TRP HE3 1 1 20 13319 1 1 24 TRP HH2 H 14.927 15.019 -2.433 1.00 . A A . 24 TRP HH2 1 1 20 13320 1 1 24 TRP HZ2 H 13.932 15.276 -0.173 1.00 . A A . 24 TRP HZ2 1 1 20 13321 1 1 24 TRP HZ3 H 14.050 13.292 -3.982 1.00 . A A . 24 TRP HZ3 1 1 20 13322 1 1 24 TRP N N 9.260 8.948 0.173 1.00 . A A . 24 TRP N 1 1 20 13323 1 1 24 TRP NE1 N 11.746 13.579 0.689 1.00 . A A . 24 TRP NE1 1 1 20 13324 1 1 24 TRP O O 12.704 9.654 0.400 1.00 . A A . 24 TRP O 1 1 20 13325 1 1 25 TYR C C 12.902 9.193 3.172 1.00 . A A . 25 TYR C 1 1 20 13326 1 1 25 TYR CA C 12.133 10.485 2.888 1.00 . A A . 25 TYR CA 1 1 20 13327 1 1 25 TYR CB C 11.455 10.984 4.184 1.00 . A A . 25 TYR CB 1 1 20 13328 1 1 25 TYR CD1 C 9.270 9.738 4.324 1.00 . A A . 25 TYR CD1 1 1 20 13329 1 1 25 TYR CD2 C 9.235 12.072 3.676 1.00 . A A . 25 TYR CD2 1 1 20 13330 1 1 25 TYR CE1 C 7.875 9.687 4.211 1.00 . A A . 25 TYR CE1 1 1 20 13331 1 1 25 TYR CE2 C 7.841 12.022 3.562 1.00 . A A . 25 TYR CE2 1 1 20 13332 1 1 25 TYR CG C 9.950 10.930 4.056 1.00 . A A . 25 TYR CG 1 1 20 13333 1 1 25 TYR CZ C 7.160 10.829 3.828 1.00 . A A . 25 TYR CZ 1 1 20 13334 1 1 25 TYR H H 10.120 10.359 2.005 1.00 . A A . 25 TYR H 1 1 20 13335 1 1 25 TYR HA H 12.830 11.234 2.536 1.00 . A A . 25 TYR HA 1 1 20 13336 1 1 25 TYR HB2 H 11.760 10.362 5.012 1.00 . A A . 25 TYR HB2 1 1 20 13337 1 1 25 TYR HB3 H 11.757 12.003 4.375 1.00 . A A . 25 TYR HB3 1 1 20 13338 1 1 25 TYR HD1 H 9.822 8.860 4.621 1.00 . A A . 25 TYR HD1 1 1 20 13339 1 1 25 TYR HD2 H 9.761 12.993 3.474 1.00 . A A . 25 TYR HD2 1 1 20 13340 1 1 25 TYR HE1 H 7.350 8.768 4.418 1.00 . A A . 25 TYR HE1 1 1 20 13341 1 1 25 TYR HE2 H 7.291 12.904 3.266 1.00 . A A . 25 TYR HE2 1 1 20 13342 1 1 25 TYR HH H 5.570 10.166 3.007 1.00 . A A . 25 TYR HH 1 1 20 13343 1 1 25 TYR N N 11.123 10.223 1.816 1.00 . A A . 25 TYR N 1 1 20 13344 1 1 25 TYR O O 14.113 9.188 3.248 1.00 . A A . 25 TYR O 1 1 20 13345 1 1 25 TYR OH O 5.787 10.778 3.715 1.00 . A A . 25 TYR OH 1 1 20 13346 1 1 26 ASN C C 13.178 6.108 2.254 1.00 . A A . 26 ASN C 1 1 20 13347 1 1 26 ASN CA C 12.912 6.808 3.585 1.00 . A A . 26 ASN CA 1 1 20 13348 1 1 26 ASN CB C 12.027 5.911 4.455 1.00 . A A . 26 ASN CB 1 1 20 13349 1 1 26 ASN CG C 11.787 6.577 5.809 1.00 . A A . 26 ASN CG 1 1 20 13350 1 1 26 ASN H H 11.233 8.115 3.245 1.00 . A A . 26 ASN H 1 1 20 13351 1 1 26 ASN HA H 13.848 6.996 4.092 1.00 . A A . 26 ASN HA 1 1 20 13352 1 1 26 ASN HB2 H 11.080 5.750 3.958 1.00 . A A . 26 ASN HB2 1 1 20 13353 1 1 26 ASN HB3 H 12.519 4.961 4.608 1.00 . A A . 26 ASN HB3 1 1 20 13354 1 1 26 ASN HD21 H 9.812 6.452 5.672 1.00 . A A . 26 ASN HD21 1 1 20 13355 1 1 26 ASN HD22 H 10.396 7.175 7.093 1.00 . A A . 26 ASN HD22 1 1 20 13356 1 1 26 ASN N N 12.210 8.094 3.319 1.00 . A A . 26 ASN N 1 1 20 13357 1 1 26 ASN ND2 N 10.563 6.750 6.227 1.00 . A A . 26 ASN ND2 1 1 20 13358 1 1 26 ASN O O 13.848 5.099 2.193 1.00 . A A . 26 ASN O 1 1 20 13359 1 1 26 ASN OD1 O 12.722 6.951 6.490 1.00 . A A . 26 ASN OD1 1 1 20 13360 1 1 27 GLN C C 12.331 4.582 -0.132 1.00 . A A . 27 GLN C 1 1 20 13361 1 1 27 GLN CA C 12.867 6.017 -0.150 1.00 . A A . 27 GLN CA 1 1 20 13362 1 1 27 GLN CB C 14.366 6.008 -0.483 1.00 . A A . 27 GLN CB 1 1 20 13363 1 1 27 GLN CD C 14.421 8.030 -1.947 1.00 . A A . 27 GLN CD 1 1 20 13364 1 1 27 GLN CG C 14.578 6.508 -1.915 1.00 . A A . 27 GLN CG 1 1 20 13365 1 1 27 GLN H H 12.119 7.460 1.261 1.00 . A A . 27 GLN H 1 1 20 13366 1 1 27 GLN HA H 12.333 6.586 -0.895 1.00 . A A . 27 GLN HA 1 1 20 13367 1 1 27 GLN HB2 H 14.889 6.656 0.205 1.00 . A A . 27 GLN HB2 1 1 20 13368 1 1 27 GLN HB3 H 14.754 5.003 -0.394 1.00 . A A . 27 GLN HB3 1 1 20 13369 1 1 27 GLN HE21 H 12.465 7.962 -2.292 1.00 . A A . 27 GLN HE21 1 1 20 13370 1 1 27 GLN HE22 H 13.128 9.520 -2.177 1.00 . A A . 27 GLN HE22 1 1 20 13371 1 1 27 GLN HG2 H 15.569 6.240 -2.247 1.00 . A A . 27 GLN HG2 1 1 20 13372 1 1 27 GLN HG3 H 13.843 6.058 -2.567 1.00 . A A . 27 GLN HG3 1 1 20 13373 1 1 27 GLN N N 12.656 6.643 1.186 1.00 . A A . 27 GLN N 1 1 20 13374 1 1 27 GLN NE2 N 13.240 8.547 -2.157 1.00 . A A . 27 GLN NE2 1 1 20 13375 1 1 27 GLN O O 12.498 3.836 -1.078 1.00 . A A . 27 GLN O 1 1 20 13376 1 1 27 GLN OE1 O 15.377 8.754 -1.765 1.00 . A A . 27 GLN OE1 1 1 20 13377 1 1 28 GLN C C 9.612 2.858 0.952 1.00 . A A . 28 GLN C 1 1 20 13378 1 1 28 GLN CA C 11.136 2.802 1.018 1.00 . A A . 28 GLN CA 1 1 20 13379 1 1 28 GLN CB C 11.549 2.162 2.346 1.00 . A A . 28 GLN CB 1 1 20 13380 1 1 28 GLN CD C 13.469 0.925 1.330 1.00 . A A . 28 GLN CD 1 1 20 13381 1 1 28 GLN CG C 13.065 1.959 2.380 1.00 . A A . 28 GLN CG 1 1 20 13382 1 1 28 GLN H H 11.563 4.807 1.685 1.00 . A A . 28 GLN H 1 1 20 13383 1 1 28 GLN HA H 11.512 2.208 0.199 1.00 . A A . 28 GLN HA 1 1 20 13384 1 1 28 GLN HB2 H 11.255 2.807 3.162 1.00 . A A . 28 GLN HB2 1 1 20 13385 1 1 28 GLN HB3 H 11.059 1.206 2.451 1.00 . A A . 28 GLN HB3 1 1 20 13386 1 1 28 GLN HE21 H 12.125 -0.411 1.921 1.00 . A A . 28 GLN HE21 1 1 20 13387 1 1 28 GLN HE22 H 13.098 -0.890 0.615 1.00 . A A . 28 GLN HE22 1 1 20 13388 1 1 28 GLN HG2 H 13.556 2.896 2.170 1.00 . A A . 28 GLN HG2 1 1 20 13389 1 1 28 GLN HG3 H 13.359 1.610 3.359 1.00 . A A . 28 GLN HG3 1 1 20 13390 1 1 28 GLN N N 11.686 4.188 0.936 1.00 . A A . 28 GLN N 1 1 20 13391 1 1 28 GLN NE2 N 12.846 -0.219 1.286 1.00 . A A . 28 GLN NE2 1 1 20 13392 1 1 28 GLN O O 8.984 3.689 1.579 1.00 . A A . 28 GLN O 1 1 20 13393 1 1 28 GLN OE1 O 14.363 1.161 0.543 1.00 . A A . 28 GLN OE1 1 1 20 13394 1 1 29 SER C C 6.977 1.002 1.162 1.00 . A A . 29 SER C 1 1 20 13395 1 1 29 SER CA C 7.519 1.982 0.126 1.00 . A A . 29 SER CA 1 1 20 13396 1 1 29 SER CB C 7.064 1.558 -1.269 1.00 . A A . 29 SER CB 1 1 20 13397 1 1 29 SER H H 9.524 1.309 -0.288 1.00 . A A . 29 SER H 1 1 20 13398 1 1 29 SER HA H 7.152 2.972 0.345 1.00 . A A . 29 SER HA 1 1 20 13399 1 1 29 SER HB2 H 7.630 0.705 -1.589 1.00 . A A . 29 SER HB2 1 1 20 13400 1 1 29 SER HB3 H 6.015 1.298 -1.239 1.00 . A A . 29 SER HB3 1 1 20 13401 1 1 29 SER HG H 6.424 3.050 -2.341 1.00 . A A . 29 SER HG 1 1 20 13402 1 1 29 SER N N 9.005 1.977 0.206 1.00 . A A . 29 SER N 1 1 20 13403 1 1 29 SER O O 7.561 -0.026 1.410 1.00 . A A . 29 SER O 1 1 20 13404 1 1 29 SER OG O 7.271 2.629 -2.179 1.00 . A A . 29 SER OG 1 1 20 13405 1 1 30 SER C C 3.759 0.403 2.660 1.00 . A A . 30 SER C 1 1 20 13406 1 1 30 SER CA C 5.284 0.403 2.775 1.00 . A A . 30 SER CA 1 1 20 13407 1 1 30 SER CB C 5.692 0.877 4.170 1.00 . A A . 30 SER CB 1 1 20 13408 1 1 30 SER H H 5.408 2.128 1.545 1.00 . A A . 30 SER H 1 1 20 13409 1 1 30 SER HA H 5.653 -0.582 2.609 1.00 . A A . 30 SER HA 1 1 20 13410 1 1 30 SER HB2 H 5.620 0.060 4.868 1.00 . A A . 30 SER HB2 1 1 20 13411 1 1 30 SER HB3 H 6.712 1.238 4.142 1.00 . A A . 30 SER HB3 1 1 20 13412 1 1 30 SER HG H 5.284 2.464 5.221 1.00 . A A . 30 SER HG 1 1 20 13413 1 1 30 SER N N 5.862 1.310 1.761 1.00 . A A . 30 SER N 1 1 20 13414 1 1 30 SER O O 3.127 1.441 2.659 1.00 . A A . 30 SER O 1 1 20 13415 1 1 30 SER OG O 4.818 1.921 4.581 1.00 . A A . 30 SER OG 1 1 20 13416 1 1 31 CYS C C 1.024 -0.415 3.762 1.00 . A A . 31 CYS C 1 1 20 13417 1 1 31 CYS CA C 1.684 -0.820 2.444 1.00 . A A . 31 CYS CA 1 1 20 13418 1 1 31 CYS CB C 1.258 -2.235 2.038 1.00 . A A . 31 CYS CB 1 1 20 13419 1 1 31 CYS H H 3.695 -1.579 2.562 1.00 . A A . 31 CYS H 1 1 20 13420 1 1 31 CYS HA H 1.376 -0.127 1.686 1.00 . A A . 31 CYS HA 1 1 20 13421 1 1 31 CYS HB2 H 2.137 -2.822 1.824 1.00 . A A . 31 CYS HB2 1 1 20 13422 1 1 31 CYS HB3 H 0.706 -2.695 2.843 1.00 . A A . 31 CYS HB3 1 1 20 13423 1 1 31 CYS N N 3.164 -0.754 2.560 1.00 . A A . 31 CYS N 1 1 20 13424 1 1 31 CYS O O 1.645 -0.420 4.807 1.00 . A A . 31 CYS O 1 1 20 13425 1 1 31 CYS SG S 0.216 -2.158 0.560 1.00 . A A . 31 CYS SG 1 1 20 13426 1 1 32 GLU C C -2.417 -0.080 4.871 1.00 . A A . 32 GLU C 1 1 20 13427 1 1 32 GLU CA C -0.941 0.373 4.955 1.00 . A A . 32 GLU CA 1 1 20 13428 1 1 32 GLU CB C -0.838 1.893 5.113 1.00 . A A . 32 GLU CB 1 1 20 13429 1 1 32 GLU CD C 0.736 3.808 5.473 1.00 . A A . 32 GLU CD 1 1 20 13430 1 1 32 GLU CG C 0.613 2.285 5.381 1.00 . A A . 32 GLU CG 1 1 20 13431 1 1 32 GLU H H -0.708 -0.045 2.855 1.00 . A A . 32 GLU H 1 1 20 13432 1 1 32 GLU HA H -0.494 -0.107 5.808 1.00 . A A . 32 GLU HA 1 1 20 13433 1 1 32 GLU HB2 H -1.182 2.374 4.209 1.00 . A A . 32 GLU HB2 1 1 20 13434 1 1 32 GLU HB3 H -1.451 2.208 5.943 1.00 . A A . 32 GLU HB3 1 1 20 13435 1 1 32 GLU HG2 H 0.923 1.843 6.309 1.00 . A A . 32 GLU HG2 1 1 20 13436 1 1 32 GLU HG3 H 1.240 1.925 4.581 1.00 . A A . 32 GLU HG3 1 1 20 13437 1 1 32 GLU N N -0.232 -0.046 3.713 1.00 . A A . 32 GLU N 1 1 20 13438 1 1 32 GLU O O -3.059 0.175 3.850 1.00 . A A . 32 GLU O 1 1 20 13439 1 1 32 GLU OE1 O -0.278 4.474 5.364 1.00 . A A . 32 GLU OE1 1 1 20 13440 1 1 32 GLU OE2 O 1.847 4.283 5.646 1.00 . A A . 32 GLU OE2 1 1 20 13441 1 1 33 ARG C C -5.222 0.423 5.812 1.00 . A A . 33 ARG C 1 1 20 13442 1 1 33 ARG CA C -4.413 -0.872 5.929 1.00 . A A . 33 ARG CA 1 1 20 13443 1 1 33 ARG CB C -4.767 -1.665 7.211 1.00 . A A . 33 ARG CB 1 1 20 13444 1 1 33 ARG CD C -4.145 -0.143 9.107 1.00 . A A . 33 ARG CD 1 1 20 13445 1 1 33 ARG CG C -5.311 -0.756 8.330 1.00 . A A . 33 ARG CG 1 1 20 13446 1 1 33 ARG CZ C -2.740 -0.804 10.967 1.00 . A A . 33 ARG CZ 1 1 20 13447 1 1 33 ARG H H -2.439 -0.645 6.757 1.00 . A A . 33 ARG H 1 1 20 13448 1 1 33 ARG HA H -4.614 -1.490 5.063 1.00 . A A . 33 ARG HA 1 1 20 13449 1 1 33 ARG HB2 H -5.511 -2.409 6.971 1.00 . A A . 33 ARG HB2 1 1 20 13450 1 1 33 ARG HB3 H -3.877 -2.165 7.565 1.00 . A A . 33 ARG HB3 1 1 20 13451 1 1 33 ARG HD2 H -3.370 0.159 8.418 1.00 . A A . 33 ARG HD2 1 1 20 13452 1 1 33 ARG HD3 H -4.492 0.718 9.660 1.00 . A A . 33 ARG HD3 1 1 20 13453 1 1 33 ARG HE H -3.898 -2.091 9.995 1.00 . A A . 33 ARG HE 1 1 20 13454 1 1 33 ARG HG2 H -5.929 0.023 7.917 1.00 . A A . 33 ARG HG2 1 1 20 13455 1 1 33 ARG HG3 H -5.907 -1.351 9.008 1.00 . A A . 33 ARG HG3 1 1 20 13456 1 1 33 ARG HH11 H -2.712 1.115 10.406 1.00 . A A . 33 ARG HH11 1 1 20 13457 1 1 33 ARG HH12 H -1.687 0.709 11.742 1.00 . A A . 33 ARG HH12 1 1 20 13458 1 1 33 ARG HH21 H -2.572 -2.643 11.745 1.00 . A A . 33 ARG HH21 1 1 20 13459 1 1 33 ARG HH22 H -1.606 -1.419 12.501 1.00 . A A . 33 ARG HH22 1 1 20 13460 1 1 33 ARG N N -2.970 -0.519 5.941 1.00 . A A . 33 ARG N 1 1 20 13461 1 1 33 ARG NE N -3.603 -1.158 10.056 1.00 . A A . 33 ARG NE 1 1 20 13462 1 1 33 ARG NH1 N -2.349 0.436 11.046 1.00 . A A . 33 ARG NH1 1 1 20 13463 1 1 33 ARG NH2 N -2.269 -1.692 11.803 1.00 . A A . 33 ARG NH2 1 1 20 13464 1 1 33 ARG O O -5.020 1.357 6.562 1.00 . A A . 33 ARG O 1 1 20 13465 1 1 34 LYS C C -8.255 1.402 4.008 1.00 . A A . 34 LYS C 1 1 20 13466 1 1 34 LYS CA C -6.948 1.725 4.740 1.00 . A A . 34 LYS CA 1 1 20 13467 1 1 34 LYS CB C -6.183 2.806 3.964 1.00 . A A . 34 LYS CB 1 1 20 13468 1 1 34 LYS CD C -4.400 4.550 4.099 1.00 . A A . 34 LYS CD 1 1 20 13469 1 1 34 LYS CE C -3.268 5.111 4.960 1.00 . A A . 34 LYS CE 1 1 20 13470 1 1 34 LYS CG C -4.987 3.316 4.783 1.00 . A A . 34 LYS CG 1 1 20 13471 1 1 34 LYS H H -6.293 -0.256 4.297 1.00 . A A . 34 LYS H 1 1 20 13472 1 1 34 LYS HA H -7.180 2.090 5.719 1.00 . A A . 34 LYS HA 1 1 20 13473 1 1 34 LYS HB2 H -5.824 2.390 3.033 1.00 . A A . 34 LYS HB2 1 1 20 13474 1 1 34 LYS HB3 H -6.847 3.630 3.752 1.00 . A A . 34 LYS HB3 1 1 20 13475 1 1 34 LYS HD2 H -4.017 4.274 3.127 1.00 . A A . 34 LYS HD2 1 1 20 13476 1 1 34 LYS HD3 H -5.171 5.297 3.985 1.00 . A A . 34 LYS HD3 1 1 20 13477 1 1 34 LYS HE2 H -3.659 5.383 5.931 1.00 . A A . 34 LYS HE2 1 1 20 13478 1 1 34 LYS HE3 H -2.504 4.362 5.077 1.00 . A A . 34 LYS HE3 1 1 20 13479 1 1 34 LYS HG2 H -5.307 3.571 5.781 1.00 . A A . 34 LYS HG2 1 1 20 13480 1 1 34 LYS HG3 H -4.219 2.550 4.831 1.00 . A A . 34 LYS HG3 1 1 20 13481 1 1 34 LYS HZ1 H -1.656 6.228 4.265 1.00 . A A . 34 LYS HZ1 1 1 20 13482 1 1 34 LYS HZ2 H -2.944 7.166 4.849 1.00 . A A . 34 LYS HZ2 1 1 20 13483 1 1 34 LYS HZ3 H -3.069 6.401 3.337 1.00 . A A . 34 LYS HZ3 1 1 20 13484 1 1 34 LYS N N -6.136 0.495 4.886 1.00 . A A . 34 LYS N 1 1 20 13485 1 1 34 LYS NZ N -2.690 6.318 4.303 1.00 . A A . 34 LYS NZ 1 1 20 13486 1 1 34 LYS O O -8.832 2.244 3.349 1.00 . A A . 34 LYS O 1 1 20 13487 1 1 35 TRP C C -11.044 -0.602 4.462 1.00 . A A . 35 TRP C 1 1 20 13488 1 1 35 TRP CA C -9.992 -0.210 3.423 1.00 . A A . 35 TRP CA 1 1 20 13489 1 1 35 TRP CB C -9.707 -1.413 2.537 1.00 . A A . 35 TRP CB 1 1 20 13490 1 1 35 TRP CD1 C -7.581 -0.958 1.247 1.00 . A A . 35 TRP CD1 1 1 20 13491 1 1 35 TRP CD2 C -9.435 -0.489 0.055 1.00 . A A . 35 TRP CD2 1 1 20 13492 1 1 35 TRP CE2 C -8.330 -0.184 -0.774 1.00 . A A . 35 TRP CE2 1 1 20 13493 1 1 35 TRP CE3 C -10.726 -0.284 -0.462 1.00 . A A . 35 TRP CE3 1 1 20 13494 1 1 35 TRP CG C -8.932 -0.972 1.337 1.00 . A A . 35 TRP CG 1 1 20 13495 1 1 35 TRP CH2 C -9.788 0.504 -2.567 1.00 . A A . 35 TRP CH2 1 1 20 13496 1 1 35 TRP CZ2 C -8.499 0.306 -2.069 1.00 . A A . 35 TRP CZ2 1 1 20 13497 1 1 35 TRP CZ3 C -10.900 0.210 -1.768 1.00 . A A . 35 TRP CZ3 1 1 20 13498 1 1 35 TRP H H -8.234 -0.477 4.646 1.00 . A A . 35 TRP H 1 1 20 13499 1 1 35 TRP HA H -10.358 0.608 2.821 1.00 . A A . 35 TRP HA 1 1 20 13500 1 1 35 TRP HB2 H -9.133 -2.130 3.105 1.00 . A A . 35 TRP HB2 1 1 20 13501 1 1 35 TRP HB3 H -10.639 -1.860 2.223 1.00 . A A . 35 TRP HB3 1 1 20 13502 1 1 35 TRP HD1 H -6.896 -1.261 2.025 1.00 . A A . 35 TRP HD1 1 1 20 13503 1 1 35 TRP HE1 H -6.302 -0.371 -0.322 1.00 . A A . 35 TRP HE1 1 1 20 13504 1 1 35 TRP HE3 H -11.585 -0.508 0.149 1.00 . A A . 35 TRP HE3 1 1 20 13505 1 1 35 TRP HH2 H -9.927 0.883 -3.570 1.00 . A A . 35 TRP HH2 1 1 20 13506 1 1 35 TRP HZ2 H -7.639 0.532 -2.680 1.00 . A A . 35 TRP HZ2 1 1 20 13507 1 1 35 TRP HZ3 H -11.894 0.365 -2.156 1.00 . A A . 35 TRP HZ3 1 1 20 13508 1 1 35 TRP N N -8.721 0.185 4.113 1.00 . A A . 35 TRP N 1 1 20 13509 1 1 35 TRP NE1 N -7.224 -0.484 -0.030 1.00 . A A . 35 TRP NE1 1 1 20 13510 1 1 35 TRP O O -12.158 -0.952 4.133 1.00 . A A . 35 TRP O 1 1 20 13511 1 1 36 LYS C C -12.955 -0.199 6.607 1.00 . A A . 36 LYS C 1 1 20 13512 1 1 36 LYS CA C -11.635 -0.954 6.783 1.00 . A A . 36 LYS CA 1 1 20 13513 1 1 36 LYS CB C -11.009 -0.613 8.144 1.00 . A A . 36 LYS CB 1 1 20 13514 1 1 36 LYS CD C -9.923 -2.831 8.606 1.00 . A A . 36 LYS CD 1 1 20 13515 1 1 36 LYS CE C -8.541 -2.181 8.753 1.00 . A A . 36 LYS CE 1 1 20 13516 1 1 36 LYS CG C -11.017 -1.850 9.053 1.00 . A A . 36 LYS CG 1 1 20 13517 1 1 36 LYS H H -9.766 -0.297 5.930 1.00 . A A . 36 LYS H 1 1 20 13518 1 1 36 LYS HA H -11.826 -2.010 6.718 1.00 . A A . 36 LYS HA 1 1 20 13519 1 1 36 LYS HB2 H -9.995 -0.280 7.996 1.00 . A A . 36 LYS HB2 1 1 20 13520 1 1 36 LYS HB3 H -11.575 0.177 8.617 1.00 . A A . 36 LYS HB3 1 1 20 13521 1 1 36 LYS HD2 H -9.969 -3.721 9.217 1.00 . A A . 36 LYS HD2 1 1 20 13522 1 1 36 LYS HD3 H -10.085 -3.101 7.573 1.00 . A A . 36 LYS HD3 1 1 20 13523 1 1 36 LYS HE2 H -8.270 -1.695 7.826 1.00 . A A . 36 LYS HE2 1 1 20 13524 1 1 36 LYS HE3 H -8.566 -1.449 9.546 1.00 . A A . 36 LYS HE3 1 1 20 13525 1 1 36 LYS HG2 H -10.831 -1.545 10.074 1.00 . A A . 36 LYS HG2 1 1 20 13526 1 1 36 LYS HG3 H -11.982 -2.335 8.997 1.00 . A A . 36 LYS HG3 1 1 20 13527 1 1 36 LYS HZ1 H -7.908 -4.163 8.846 1.00 . A A . 36 LYS HZ1 1 1 20 13528 1 1 36 LYS HZ2 H -7.289 -3.179 10.081 1.00 . A A . 36 LYS HZ2 1 1 20 13529 1 1 36 LYS HZ3 H -6.668 -3.053 8.506 1.00 . A A . 36 LYS HZ3 1 1 20 13530 1 1 36 LYS N N -10.681 -0.562 5.706 1.00 . A A . 36 LYS N 1 1 20 13531 1 1 36 LYS NZ N -7.526 -3.223 9.071 1.00 . A A . 36 LYS NZ 1 1 20 13532 1 1 36 LYS O O -13.946 -0.514 7.234 1.00 . A A . 36 LYS O 1 1 20 13533 1 1 37 TYR C C -14.730 1.252 4.085 1.00 . A A . 37 TYR C 1 1 20 13534 1 1 37 TYR CA C -14.239 1.541 5.509 1.00 . A A . 37 TYR CA 1 1 20 13535 1 1 37 TYR CB C -13.988 3.049 5.692 1.00 . A A . 37 TYR CB 1 1 20 13536 1 1 37 TYR CD1 C -11.692 3.085 6.730 1.00 . A A . 37 TYR CD1 1 1 20 13537 1 1 37 TYR CD2 C -11.951 3.858 4.447 1.00 . A A . 37 TYR CD2 1 1 20 13538 1 1 37 TYR CE1 C -10.320 3.352 6.664 1.00 . A A . 37 TYR CE1 1 1 20 13539 1 1 37 TYR CE2 C -10.578 4.125 4.381 1.00 . A A . 37 TYR CE2 1 1 20 13540 1 1 37 TYR CG C -12.507 3.337 5.621 1.00 . A A . 37 TYR CG 1 1 20 13541 1 1 37 TYR CZ C -9.762 3.872 5.490 1.00 . A A . 37 TYR CZ 1 1 20 13542 1 1 37 TYR H H -12.122 1.022 5.227 1.00 . A A . 37 TYR H 1 1 20 13543 1 1 37 TYR HA H -14.994 1.216 6.213 1.00 . A A . 37 TYR HA 1 1 20 13544 1 1 37 TYR HB2 H -14.499 3.602 4.918 1.00 . A A . 37 TYR HB2 1 1 20 13545 1 1 37 TYR HB3 H -14.364 3.357 6.657 1.00 . A A . 37 TYR HB3 1 1 20 13546 1 1 37 TYR HD1 H -12.121 2.686 7.637 1.00 . A A . 37 TYR HD1 1 1 20 13547 1 1 37 TYR HD2 H -12.582 4.053 3.591 1.00 . A A . 37 TYR HD2 1 1 20 13548 1 1 37 TYR HE1 H -9.691 3.158 7.521 1.00 . A A . 37 TYR HE1 1 1 20 13549 1 1 37 TYR HE2 H -10.149 4.527 3.475 1.00 . A A . 37 TYR HE2 1 1 20 13550 1 1 37 TYR HH H -8.219 4.538 4.578 1.00 . A A . 37 TYR HH 1 1 20 13551 1 1 37 TYR N N -12.976 0.776 5.747 1.00 . A A . 37 TYR N 1 1 20 13552 1 1 37 TYR O O -15.179 2.129 3.377 1.00 . A A . 37 TYR O 1 1 20 13553 1 1 37 TYR OH O -8.407 4.133 5.429 1.00 . A A . 37 TYR OH 1 1 20 13554 1 1 38 LEU C C -15.707 -1.759 2.350 1.00 . A A . 38 LEU C 1 1 20 13555 1 1 38 LEU CA C -15.108 -0.348 2.305 1.00 . A A . 38 LEU CA 1 1 20 13556 1 1 38 LEU CB C -13.906 -0.305 1.333 1.00 . A A . 38 LEU CB 1 1 20 13557 1 1 38 LEU CD1 C -14.935 -0.615 -0.958 1.00 . A A . 38 LEU CD1 1 1 20 13558 1 1 38 LEU CD2 C -15.165 1.594 0.202 1.00 . A A . 38 LEU CD2 1 1 20 13559 1 1 38 LEU CG C -14.253 0.379 -0.013 1.00 . A A . 38 LEU CG 1 1 20 13560 1 1 38 LEU H H -14.297 -0.670 4.244 1.00 . A A . 38 LEU H 1 1 20 13561 1 1 38 LEU HA H -15.856 0.339 2.010 1.00 . A A . 38 LEU HA 1 1 20 13562 1 1 38 LEU HB2 H -13.101 0.240 1.801 1.00 . A A . 38 LEU HB2 1 1 20 13563 1 1 38 LEU HB3 H -13.572 -1.316 1.138 1.00 . A A . 38 LEU HB3 1 1 20 13564 1 1 38 LEU HD11 H -15.813 -1.017 -0.491 1.00 . A A . 38 LEU HD11 1 1 20 13565 1 1 38 LEU HD12 H -14.252 -1.418 -1.190 1.00 . A A . 38 LEU HD12 1 1 20 13566 1 1 38 LEU HD13 H -15.214 -0.110 -1.870 1.00 . A A . 38 LEU HD13 1 1 20 13567 1 1 38 LEU HD21 H -16.163 1.263 0.441 1.00 . A A . 38 LEU HD21 1 1 20 13568 1 1 38 LEU HD22 H -15.193 2.182 -0.703 1.00 . A A . 38 LEU HD22 1 1 20 13569 1 1 38 LEU HD23 H -14.780 2.196 1.011 1.00 . A A . 38 LEU HD23 1 1 20 13570 1 1 38 LEU HG H -13.338 0.712 -0.472 1.00 . A A . 38 LEU HG 1 1 20 13571 1 1 38 LEU N N -14.650 0.016 3.664 1.00 . A A . 38 LEU N 1 1 20 13572 1 1 38 LEU O O -15.362 -2.558 3.196 1.00 . A A . 38 LEU O 1 1 20 13573 1 1 39 PHE C C -16.122 -4.473 1.615 1.00 . A A . 39 PHE C 1 1 20 13574 1 1 39 PHE CA C -17.225 -3.426 1.461 1.00 . A A . 39 PHE CA 1 1 20 13575 1 1 39 PHE CB C -17.955 -3.651 0.133 1.00 . A A . 39 PHE CB 1 1 20 13576 1 1 39 PHE CD1 C -19.437 -5.466 1.065 1.00 . A A . 39 PHE CD1 1 1 20 13577 1 1 39 PHE CD2 C -18.145 -5.938 -0.932 1.00 . A A . 39 PHE CD2 1 1 20 13578 1 1 39 PHE CE1 C -19.971 -6.760 1.026 1.00 . A A . 39 PHE CE1 1 1 20 13579 1 1 39 PHE CE2 C -18.680 -7.232 -0.971 1.00 . A A . 39 PHE CE2 1 1 20 13580 1 1 39 PHE CG C -18.524 -5.053 0.089 1.00 . A A . 39 PHE CG 1 1 20 13581 1 1 39 PHE CZ C -19.593 -7.641 0.080 1.00 . A A . 39 PHE CZ 1 1 20 13582 1 1 39 PHE H H -16.885 -1.411 0.790 1.00 . A A . 39 PHE H 1 1 20 13583 1 1 39 PHE HA H -17.921 -3.503 2.279 1.00 . A A . 39 PHE HA 1 1 20 13584 1 1 39 PHE HB2 H -18.758 -2.934 0.037 1.00 . A A . 39 PHE HB2 1 1 20 13585 1 1 39 PHE HB3 H -17.261 -3.521 -0.684 1.00 . A A . 39 PHE HB3 1 1 20 13586 1 1 39 PHE HD1 H -19.732 -4.787 1.852 1.00 . A A . 39 PHE HD1 1 1 20 13587 1 1 39 PHE HD2 H -17.442 -5.621 -1.689 1.00 . A A . 39 PHE HD2 1 1 20 13588 1 1 39 PHE HE1 H -20.675 -7.076 1.780 1.00 . A A . 39 PHE HE1 1 1 20 13589 1 1 39 PHE HE2 H -18.391 -7.913 -1.757 1.00 . A A . 39 PHE HE2 1 1 20 13590 1 1 39 PHE HZ H -20.030 -8.640 -0.022 1.00 . A A . 39 PHE HZ 1 1 20 13591 1 1 39 PHE N N -16.608 -2.069 1.455 1.00 . A A . 39 PHE N 1 1 20 13592 1 1 39 PHE O O -15.278 -4.628 0.756 1.00 . A A . 39 PHE O 1 1 20 13593 1 1 40 THR C C -13.759 -5.800 2.302 1.00 . A A . 40 THR C 1 1 20 13594 1 1 40 THR CA C -15.077 -6.217 2.958 1.00 . A A . 40 THR CA 1 1 20 13595 1 1 40 THR CB C -15.528 -7.561 2.377 1.00 . A A . 40 THR CB 1 1 20 13596 1 1 40 THR CG2 C -14.622 -8.678 2.902 1.00 . A A . 40 THR CG2 1 1 20 13597 1 1 40 THR H H -16.816 -5.023 3.391 1.00 . A A . 40 THR H 1 1 20 13598 1 1 40 THR HA H -14.925 -6.322 4.021 1.00 . A A . 40 THR HA 1 1 20 13599 1 1 40 THR HB H -15.465 -7.528 1.301 1.00 . A A . 40 THR HB 1 1 20 13600 1 1 40 THR HG1 H -16.881 -8.617 3.288 1.00 . A A . 40 THR HG1 1 1 20 13601 1 1 40 THR HG21 H -14.437 -8.529 3.955 1.00 . A A . 40 THR HG21 1 1 20 13602 1 1 40 THR HG22 H -13.685 -8.664 2.366 1.00 . A A . 40 THR HG22 1 1 20 13603 1 1 40 THR HG23 H -15.103 -9.633 2.755 1.00 . A A . 40 THR HG23 1 1 20 13604 1 1 40 THR N N -16.124 -5.180 2.715 1.00 . A A . 40 THR N 1 1 20 13605 1 1 40 THR O O -13.170 -4.795 2.650 1.00 . A A . 40 THR O 1 1 20 13606 1 1 40 THR OG1 O -16.871 -7.816 2.761 1.00 . A A . 40 THR OG1 1 1 20 13607 1 1 41 GLY C C -11.924 -6.926 -0.675 1.00 . A A . 41 GLY C 1 1 20 13608 1 1 41 GLY CA C -12.015 -6.225 0.684 1.00 . A A . 41 GLY CA 1 1 20 13609 1 1 41 GLY H H -13.785 -7.374 1.099 1.00 . A A . 41 GLY H 1 1 20 13610 1 1 41 GLY HA2 H -11.963 -5.155 0.539 1.00 . A A . 41 GLY HA2 1 1 20 13611 1 1 41 GLY HA3 H -11.190 -6.545 1.302 1.00 . A A . 41 GLY HA3 1 1 20 13612 1 1 41 GLY N N -13.293 -6.569 1.358 1.00 . A A . 41 GLY N 1 1 20 13613 1 1 41 GLY O O -11.286 -6.428 -1.582 1.00 . A A . 41 GLY O 1 1 20 13614 1 1 42 GLU C C -11.079 -8.595 -2.744 1.00 . A A . 42 GLU C 1 1 20 13615 1 1 42 GLU CA C -12.462 -8.814 -2.131 1.00 . A A . 42 GLU CA 1 1 20 13616 1 1 42 GLU CB C -13.562 -8.361 -3.116 1.00 . A A . 42 GLU CB 1 1 20 13617 1 1 42 GLU CD C -15.253 -7.017 -1.839 1.00 . A A . 42 GLU CD 1 1 20 13618 1 1 42 GLU CG C -14.068 -6.943 -2.801 1.00 . A A . 42 GLU CG 1 1 20 13619 1 1 42 GLU H H -13.032 -8.472 -0.078 1.00 . A A . 42 GLU H 1 1 20 13620 1 1 42 GLU HA H -12.583 -9.872 -1.935 1.00 . A A . 42 GLU HA 1 1 20 13621 1 1 42 GLU HB2 H -13.169 -8.378 -4.122 1.00 . A A . 42 GLU HB2 1 1 20 13622 1 1 42 GLU HB3 H -14.391 -9.051 -3.055 1.00 . A A . 42 GLU HB3 1 1 20 13623 1 1 42 GLU HG2 H -13.281 -6.361 -2.361 1.00 . A A . 42 GLU HG2 1 1 20 13624 1 1 42 GLU HG3 H -14.386 -6.469 -3.715 1.00 . A A . 42 GLU HG3 1 1 20 13625 1 1 42 GLU N N -12.536 -8.082 -0.825 1.00 . A A . 42 GLU N 1 1 20 13626 1 1 42 GLU O O -10.929 -7.924 -3.746 1.00 . A A . 42 GLU O 1 1 20 13627 1 1 42 GLU OE1 O -16.192 -7.731 -2.147 1.00 . A A . 42 GLU OE1 1 1 20 13628 1 1 42 GLU OE2 O -15.205 -6.358 -0.815 1.00 . A A . 42 GLU OE2 1 1 20 13629 1 1 43 CYS C C -7.872 -10.214 -2.428 1.00 . A A . 43 CYS C 1 1 20 13630 1 1 43 CYS CA C -8.686 -8.935 -2.650 1.00 . A A . 43 CYS CA 1 1 20 13631 1 1 43 CYS CB C -8.049 -7.765 -1.887 1.00 . A A . 43 CYS CB 1 1 20 13632 1 1 43 CYS H H -10.209 -9.650 -1.311 1.00 . A A . 43 CYS H 1 1 20 13633 1 1 43 CYS HXT H -6.664 -11.448 -3.065 1.00 . A A . 43 CYS HXT 1 1 20 13634 1 1 43 CYS HA H -8.721 -8.707 -3.704 1.00 . A A . 43 CYS HA 1 1 20 13635 1 1 43 CYS HB2 H -8.810 -7.258 -1.313 1.00 . A A . 43 CYS HB2 1 1 20 13636 1 1 43 CYS HB3 H -7.289 -8.137 -1.217 1.00 . A A . 43 CYS HB3 1 1 20 13637 1 1 43 CYS N N -10.066 -9.132 -2.129 1.00 . A A . 43 CYS N 1 1 20 13638 1 1 43 CYS O O -7.843 -10.687 -1.305 1.00 . A A . 43 CYS O 1 1 20 13639 1 1 43 CYS OXT O -7.291 -10.696 -3.386 1.00 . A A . 43 CYS OXT 1 1 20 13640 1 1 43 CYS SG S -7.305 -6.595 -3.051 1.00 . A A . 43 CYS SG 1 1 stop_ save_
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