NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
620474 | 5t4r | 30164 | cing | 4-filtered-FRED | STAR | entry | full | 580 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5t4r # This FRED archive file contains, for PDB entry <5t4r>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_5t4r _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 5t4r _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 4255.88 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 $Mu_theraphotoxin_Pn3a A . 1 1 stop_ save_ save_Mu_theraphotoxin_Pn3a _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Mu theraphotoxin Pn3a" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code DCRYMFGDCEKDEDCCKHLGCKRKMKYCAWDFTFT _Entity.Number_of_monomers 35 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 ASP . 1 1 2 CYS . 1 1 3 ARG . 1 1 4 TYR . 1 1 5 MET . 1 1 6 PHE . 1 1 7 GLY . 1 1 8 ASP . 1 1 9 CYS . 1 1 10 GLU . 1 1 11 LYS . 1 1 12 ASP . 1 1 13 GLU . 1 1 14 ASP . 1 1 15 CYS . 1 1 16 CYS . 1 1 17 LYS . 1 1 18 HIS . 1 1 19 LEU . 1 1 20 GLY . 1 1 21 CYS . 1 1 22 LYS . 1 1 23 ARG . 1 1 24 LYS . 1 1 25 MET . 1 1 26 LYS . 1 1 27 TYR . 1 1 28 CYS . 1 1 29 ALA . 1 1 30 TRP . 1 1 31 ASP . 1 1 32 PHE . 1 1 33 THR . 1 1 34 PHE . 1 1 35 THR . 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 ASP 1 1 1 1 CYS 2 2 1 1 ARG 3 3 1 1 TYR 4 4 1 1 MET 5 5 1 1 PHE 6 6 1 1 GLY 7 7 1 1 ASP 8 8 1 1 CYS 9 9 1 1 GLU 10 10 1 1 LYS 11 11 1 1 ASP 12 12 1 1 GLU 13 13 1 1 ASP 14 14 1 1 CYS 15 15 1 1 CYS 16 16 1 1 LYS 17 17 1 1 HIS 18 18 1 1 LEU 19 19 1 1 GLY 20 20 1 1 CYS 21 21 1 1 LYS 22 22 1 1 ARG 23 23 1 1 LYS 24 24 1 1 MET 25 25 1 1 LYS 26 26 1 1 TYR 27 27 1 1 CYS 28 28 1 1 ALA 29 29 1 1 TRP 30 30 1 1 ASP 31 31 1 1 PHE 32 32 1 1 THR 33 33 1 1 PHE 34 34 1 1 THR 35 35 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 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 29 ALA H . 29 . HN 1 1 1 1 2 1 1 29 ALA MB . 29 . HB# 1 1 2 1 1 1 1 29 ALA MB . 29 . HB# 1 1 2 1 2 1 1 30 TRP H . 30 . HN 1 1 3 1 1 1 1 28 CYS H . 28 . HN 1 1 3 1 2 1 1 28 CYS HB2 . 28 . HB2 1 1 4 1 1 1 1 28 CYS H . 28 . HN 1 1 4 1 2 1 1 28 CYS HB3 . 28 . HB1 1 1 5 1 1 1 1 28 CYS HB3 . 28 . HB1 1 1 5 1 2 1 1 29 ALA H . 29 . HN 1 1 6 1 1 1 1 28 CYS HB2 . 28 . HB2 1 1 6 1 2 1 1 29 ALA H . 29 . HN 1 1 7 1 1 1 1 28 CYS HA . 28 . HA 1 1 7 1 2 1 1 29 ALA H . 29 . HN 1 1 8 1 1 1 1 27 TYR HA . 27 . HA 1 1 8 1 2 1 1 28 CYS H . 28 . HN 1 1 9 1 1 1 1 27 TYR HB2 . 27 . HB2 1 1 9 1 2 1 1 28 CYS H . 28 . HN 1 1 10 1 1 1 1 27 TYR HB3 . 27 . HB1 1 1 10 1 2 1 1 28 CYS H . 28 . HN 1 1 11 1 1 1 1 26 LYS HB3 . 26 . HB1 1 1 11 1 2 1 1 27 TYR H . 27 . HN 1 1 12 1 1 1 1 26 LYS H . 26 . HN 1 1 12 1 2 1 1 26 LYS QD . 26 . HD# 1 1 13 1 1 1 1 26 LYS H . 26 . HN 1 1 13 1 2 1 1 26 LYS QG . 26 . HG# 1 1 14 1 1 1 1 26 LYS HA . 26 . HA 1 1 14 1 2 1 1 27 TYR H . 27 . HN 1 1 15 1 1 1 1 26 LYS QD . 26 . HD# 1 1 15 1 2 1 1 27 TYR H . 27 . HN 1 1 16 1 1 1 1 26 LYS QG . 26 . HG# 1 1 16 1 2 1 1 27 TYR H . 27 . HN 1 1 17 1 1 1 1 25 MET H . 25 . HN 1 1 17 1 2 1 1 25 MET HB3 . 25 . HB1 1 1 18 1 1 1 1 25 MET HB3 . 25 . HB1 1 1 18 1 2 1 1 26 LYS H . 26 . HN 1 1 19 1 1 1 1 25 MET HB2 . 25 . HB2 1 1 19 1 2 1 1 26 LYS H . 26 . HN 1 1 20 1 1 1 1 24 LYS H . 24 . HN 1 1 20 1 2 1 1 24 LYS QD . 24 . HD# 1 1 21 1 1 1 1 22 LYS HG2 . 22 . HG2 1 1 21 1 2 1 1 24 LYS H . 24 . HN 1 1 22 1 1 1 1 22 LYS HG3 . 22 . HG1 1 1 22 1 2 1 1 24 LYS H . 24 . HN 1 1 23 1 1 1 1 3 ARG H . 3 . HN 1 1 23 1 2 1 1 15 CYS HB2 . 15 . HB2 1 1 24 1 1 1 1 23 ARG H . 23 . HN 1 1 24 1 2 1 1 23 ARG QD . 23 . HD# 1 1 25 1 1 1 1 23 ARG H . 23 . HN 1 1 25 1 2 1 1 23 ARG HB2 . 23 . HB2 1 1 26 1 1 1 1 23 ARG H . 23 . HN 1 1 26 1 2 1 1 23 ARG HB3 . 23 . HB1 1 1 27 1 1 1 1 23 ARG H . 23 . HN 1 1 27 1 2 1 1 23 ARG QG . 23 . HG# 1 1 28 1 1 1 1 23 ARG HA . 23 . HA 1 1 28 1 2 1 1 24 LYS H . 24 . HN 1 1 29 1 1 1 1 23 ARG QD . 23 . HD# 1 1 29 1 2 1 1 24 LYS H . 24 . HN 1 1 30 1 1 1 1 3 ARG H . 3 . HN 1 1 30 1 2 1 1 3 ARG HG2 . 3 . HG2 1 1 31 1 1 1 1 11 LYS HD2 . 11 . HD2 1 1 31 1 2 1 1 13 GLU H . 13 . HN 1 1 32 1 1 1 1 22 LYS H . 22 . HN 1 1 32 1 2 1 1 22 LYS HB2 . 22 . HB2 1 1 33 1 1 1 1 22 LYS H . 22 . HN 1 1 33 1 2 1 1 22 LYS HB3 . 22 . HB1 1 1 34 1 1 1 1 22 LYS H . 22 . HN 1 1 34 1 2 1 1 22 LYS QD . 22 . HD# 1 1 35 1 1 1 1 22 LYS H . 22 . HN 1 1 35 1 2 1 1 22 LYS HG3 . 22 . HG1 1 1 36 1 1 1 1 22 LYS HG3 . 22 . HG1 1 1 36 1 2 1 1 23 ARG H . 23 . HN 1 1 37 1 1 1 1 22 LYS QD . 22 . HD# 1 1 37 1 2 1 1 23 ARG H . 23 . HN 1 1 38 1 1 1 1 22 LYS HB3 . 22 . HB1 1 1 38 1 2 1 1 23 ARG H . 23 . HN 1 1 39 1 1 1 1 22 LYS HB2 . 22 . HB2 1 1 39 1 2 1 1 23 ARG H . 23 . HN 1 1 40 1 1 1 1 22 LYS HA . 22 . HA 1 1 40 1 2 1 1 23 ARG H . 23 . HN 1 1 41 1 1 1 1 21 CYS HA . 21 . HA 1 1 41 1 2 1 1 22 LYS H . 22 . HN 1 1 42 1 1 1 1 21 CYS H . 21 . HN 1 1 42 1 2 1 1 21 CYS HB3 . 21 . HB1 1 1 43 1 1 1 1 21 CYS H . 21 . HN 1 1 43 1 2 1 1 21 CYS HB2 . 21 . HB2 1 1 44 1 1 1 1 21 CYS HB2 . 21 . HB2 1 1 44 1 2 1 1 22 LYS H . 22 . HN 1 1 45 1 1 1 1 21 CYS HB3 . 21 . HB1 1 1 45 1 2 1 1 22 LYS H . 22 . HN 1 1 46 1 1 1 1 20 GLY HA2 . 20 . HA2 1 1 46 1 2 1 1 21 CYS H . 21 . HN 1 1 47 1 1 1 1 20 GLY HA3 . 20 . HA1 1 1 47 1 2 1 1 21 CYS H . 21 . HN 1 1 48 1 1 1 1 19 LEU H . 19 . HN 1 1 48 1 2 1 1 19 LEU HG . 19 . HG 1 1 49 1 1 1 1 19 LEU H . 19 . HN 1 1 49 1 2 1 1 19 LEU HB2 . 19 . HB2 1 1 50 1 1 1 1 19 LEU HA . 19 . HA 1 1 50 1 2 1 1 20 GLY H . 20 . HN 1 1 51 1 1 1 1 19 LEU HG . 19 . HG 1 1 51 1 2 1 1 20 GLY H . 20 . HN 1 1 52 1 1 1 1 19 LEU HB2 . 19 . HB2 1 1 52 1 2 1 1 20 GLY H . 20 . HN 1 1 53 1 1 1 1 19 LEU MD1 . 19 . HD1# 1 1 53 1 2 1 1 20 GLY H . 20 . HN 1 1 54 1 1 1 1 18 HIS H . 18 . HN 1 1 54 1 2 1 1 18 HIS HA . 18 . HA 1 1 55 1 1 1 1 18 HIS HB2 . 18 . HB2 1 1 55 1 2 1 1 19 LEU H . 19 . HN 1 1 56 1 1 1 1 18 HIS HB3 . 18 . HB1 1 1 56 1 2 1 1 19 LEU H . 19 . HN 1 1 57 1 1 1 1 17 LYS H . 17 . HN 1 1 57 1 2 1 1 17 LYS HG3 . 17 . HG1 1 1 58 1 1 1 1 17 LYS H . 17 . HN 1 1 58 1 2 1 1 17 LYS HG2 . 17 . HG2 1 1 59 1 1 1 1 17 LYS H . 17 . HN 1 1 59 1 2 1 1 17 LYS HB3 . 17 . HB1 1 1 60 1 1 1 1 17 LYS H . 17 . HN 1 1 60 1 2 1 1 17 LYS HB2 . 17 . HB2 1 1 61 1 1 1 1 17 LYS HA . 17 . HA 1 1 61 1 2 1 1 18 HIS H . 18 . HN 1 1 62 1 1 1 1 17 LYS HB2 . 17 . HB2 1 1 62 1 2 1 1 18 HIS H . 18 . HN 1 1 63 1 1 1 1 17 LYS HG3 . 17 . HG1 1 1 63 1 2 1 1 18 HIS H . 18 . HN 1 1 64 1 1 1 1 16 CYS H . 16 . HN 1 1 64 1 2 1 1 16 CYS HB3 . 16 . HB1 1 1 65 1 1 1 1 16 CYS H . 16 . HN 1 1 65 1 2 1 1 16 CYS HB2 . 16 . HB2 1 1 66 1 1 1 1 16 CYS HA . 16 . HA 1 1 66 1 2 1 1 17 LYS H . 17 . HN 1 1 67 1 1 1 1 16 CYS HB2 . 16 . HB2 1 1 67 1 2 1 1 17 LYS H . 17 . HN 1 1 68 1 1 1 1 17 LYS H . 17 . HN 1 1 68 1 2 1 1 17 LYS QE . 17 . HE# 1 1 69 1 1 1 1 34 PHE H . 34 . HN 1 1 69 1 2 1 1 34 PHE HB3 . 34 . HB1 1 1 70 1 1 1 1 30 TRP H . 30 . HN 1 1 70 1 2 1 1 30 TRP HB2 . 30 . HB2 1 1 71 1 1 1 1 31 ASP H . 31 . HN 1 1 71 1 2 1 1 31 ASP QB . 31 . HB# 1 1 72 1 1 1 1 30 TRP HA . 30 . HA 1 1 72 1 2 1 1 31 ASP H . 31 . HN 1 1 73 1 1 1 1 30 TRP HB3 . 30 . HB1 1 1 73 1 2 1 1 31 ASP H . 31 . HN 1 1 74 1 1 1 1 30 TRP HB2 . 30 . HB2 1 1 74 1 2 1 1 31 ASP H . 31 . HN 1 1 75 1 1 1 1 31 ASP HA . 31 . HA 1 1 75 1 2 1 1 32 PHE H . 32 . HN 1 1 76 1 1 1 1 31 ASP QB . 31 . HB# 1 1 76 1 2 1 1 32 PHE H . 32 . HN 1 1 77 1 1 1 1 15 CYS HB3 . 15 . HB1 1 1 77 1 2 1 1 16 CYS H . 16 . HN 1 1 78 1 1 1 1 15 CYS HB2 . 15 . HB2 1 1 78 1 2 1 1 16 CYS H . 16 . HN 1 1 79 1 1 1 1 15 CYS HA . 15 . HA 1 1 79 1 2 1 1 16 CYS H . 16 . HN 1 1 80 1 1 1 1 14 ASP H . 14 . HN 1 1 80 1 2 1 1 14 ASP HB3 . 14 . HB1 1 1 81 1 1 1 1 11 LYS H . 11 . HN 1 1 81 1 2 1 1 14 ASP HB2 . 14 . HB2 1 1 82 1 1 1 1 13 GLU H . 13 . HN 1 1 82 1 2 1 1 13 GLU HG2 . 13 . HG2 1 1 83 1 1 1 1 13 GLU H . 13 . HN 1 1 83 1 2 1 1 13 GLU HG3 . 13 . HG1 1 1 84 1 1 1 1 13 GLU H . 13 . HN 1 1 84 1 2 1 1 13 GLU HB2 . 13 . HB2 1 1 85 1 1 1 1 13 GLU HB3 . 13 . HB1 1 1 85 1 2 1 1 14 ASP H . 14 . HN 1 1 86 1 1 1 1 13 GLU HB2 . 13 . HB2 1 1 86 1 2 1 1 14 ASP H . 14 . HN 1 1 87 1 1 1 1 13 GLU HG3 . 13 . HG1 1 1 87 1 2 1 1 14 ASP H . 14 . HN 1 1 88 1 1 1 1 13 GLU HG2 . 13 . HG2 1 1 88 1 2 1 1 14 ASP H . 14 . HN 1 1 89 1 1 1 1 11 LYS HD3 . 11 . HD1 1 1 89 1 2 1 1 12 ASP H . 12 . HN 1 1 90 1 1 1 1 12 ASP H . 12 . HN 1 1 90 1 2 1 1 12 ASP HB2 . 12 . HB2 1 1 91 1 1 1 1 12 ASP HB3 . 12 . HB1 1 1 91 1 2 1 1 13 GLU H . 13 . HN 1 1 92 1 1 1 1 12 ASP HB2 . 12 . HB2 1 1 92 1 2 1 1 13 GLU H . 13 . HN 1 1 93 1 1 1 1 3 ARG QB . 3 . HB# 1 1 93 1 2 1 1 15 CYS H . 15 . HN 1 1 94 1 1 1 1 9 CYS H . 9 . HN 1 1 94 1 2 1 1 9 CYS QB . 9 . HB# 1 1 95 1 1 1 1 10 GLU H . 10 . HN 1 1 95 1 2 1 1 10 GLU HB2 . 10 . HB2 1 1 96 1 1 1 1 10 GLU H . 10 . HN 1 1 96 1 2 1 1 10 GLU QG . 10 . HG# 1 1 97 1 1 1 1 10 GLU H . 10 . HN 1 1 97 1 2 1 1 10 GLU HB3 . 10 . HB1 1 1 98 1 1 1 1 10 GLU QG . 10 . HG# 1 1 98 1 2 1 1 11 LYS H . 11 . HN 1 1 99 1 1 1 1 10 GLU HB2 . 10 . HB2 1 1 99 1 2 1 1 11 LYS H . 11 . HN 1 1 100 1 1 1 1 10 GLU HB3 . 10 . HB1 1 1 100 1 2 1 1 11 LYS H . 11 . HN 1 1 101 1 1 1 1 33 THR H . 33 . HN 1 1 101 1 2 1 1 33 THR MG . 33 . HG2# 1 1 102 1 1 1 1 35 THR H . 35 . HN 1 1 102 1 2 1 1 35 THR MG . 35 . HG2# 1 1 103 1 1 1 1 9 CYS QB . 9 . HB# 1 1 103 1 2 1 1 10 GLU H . 10 . HN 1 1 104 1 1 1 1 9 CYS HA . 9 . HA 1 1 104 1 2 1 1 10 GLU H . 10 . HN 1 1 105 1 1 1 1 8 ASP H . 8 . HN 1 1 105 1 2 1 1 8 ASP HB2 . 8 . HB2 1 1 106 1 1 1 1 8 ASP H . 8 . HN 1 1 106 1 2 1 1 8 ASP HB3 . 8 . HB1 1 1 107 1 1 1 1 8 ASP HA . 8 . HA 1 1 107 1 2 1 1 9 CYS H . 9 . HN 1 1 108 1 1 1 1 8 ASP HB2 . 8 . HB2 1 1 108 1 2 1 1 9 CYS H . 9 . HN 1 1 109 1 1 1 1 8 ASP HB3 . 8 . HB1 1 1 109 1 2 1 1 9 CYS H . 9 . HN 1 1 110 1 1 1 1 6 PHE HB2 . 6 . HB2 1 1 110 1 2 1 1 7 GLY H . 7 . HN 1 1 111 1 1 1 1 6 PHE HB3 . 6 . HB1 1 1 111 1 2 1 1 7 GLY H . 7 . HN 1 1 112 1 1 1 1 5 MET HG3 . 5 . HG1 1 1 112 1 2 1 1 6 PHE H . 6 . HN 1 1 113 1 1 1 1 5 MET HG2 . 5 . HG2 1 1 113 1 2 1 1 6 PHE H . 6 . HN 1 1 114 1 1 1 1 2 CYS H . 2 . HN 1 1 114 1 2 1 1 2 CYS HB2 . 2 . HB2 1 1 115 1 1 1 1 2 CYS HA . 2 . HA 1 1 115 1 2 1 1 3 ARG H . 3 . HN 1 1 116 1 1 1 1 2 CYS HB2 . 2 . HB2 1 1 116 1 2 1 1 3 ARG H . 3 . HN 1 1 117 1 1 1 1 2 CYS HB3 . 2 . HB1 1 1 117 1 2 1 1 3 ARG H . 3 . HN 1 1 118 1 1 1 1 30 TRP H . 30 . HN 1 1 118 1 2 1 1 30 TRP HB3 . 30 . HB1 1 1 119 1 1 1 1 33 THR MG . 33 . HG2# 1 1 119 1 2 1 1 34 PHE H . 34 . HN 1 1 120 1 1 1 1 19 LEU H . 19 . HN 1 1 120 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 1 121 1 1 1 1 19 LEU H . 19 . HN 1 1 121 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1 122 1 1 1 1 5 MET H . 5 . HN 1 1 122 1 2 1 1 5 MET HB3 . 5 . HB1 1 1 123 1 1 1 1 14 ASP H . 14 . HN 1 1 123 1 2 1 1 14 ASP HB2 . 14 . HB2 1 1 124 1 1 1 1 3 ARG QB . 3 . HB# 1 1 124 1 2 1 1 4 TYR H . 4 . HN 1 1 125 1 1 1 1 3 ARG QD . 3 . HD# 1 1 125 1 2 1 1 4 TYR H . 4 . HN 1 1 126 1 1 1 1 3 ARG HA . 3 . HA 1 1 126 1 2 1 1 4 TYR H . 4 . HN 1 1 127 1 1 1 1 4 TYR HA . 4 . HA 1 1 127 1 2 1 1 5 MET H . 5 . HN 1 1 128 1 1 1 1 4 TYR H . 4 . HN 1 1 128 1 2 1 1 4 TYR HB3 . 4 . HB1 1 1 129 1 1 1 1 5 MET H . 5 . HN 1 1 129 1 2 1 1 5 MET HB2 . 5 . HB2 1 1 130 1 1 1 1 5 MET HB3 . 5 . HB1 1 1 130 1 2 1 1 6 PHE H . 6 . HN 1 1 131 1 1 1 1 5 MET HB2 . 5 . HB2 1 1 131 1 2 1 1 6 PHE H . 6 . HN 1 1 132 1 1 1 1 11 LYS HA . 11 . HA 1 1 132 1 2 1 1 12 ASP H . 12 . HN 1 1 133 1 1 1 1 11 LYS HB2 . 11 . HB2 1 1 133 1 2 1 1 12 ASP H . 12 . HN 1 1 134 1 1 1 1 11 LYS HD2 . 11 . HD2 1 1 134 1 2 1 1 12 ASP H . 12 . HN 1 1 135 1 1 1 1 11 LYS HG3 . 11 . HG1 1 1 135 1 2 1 1 12 ASP H . 12 . HN 1 1 136 1 1 1 1 11 LYS HB3 . 11 . HB1 1 1 136 1 2 1 1 12 ASP H . 12 . HN 1 1 137 1 1 1 1 19 LEU HB3 . 19 . HB1 1 1 137 1 2 1 1 20 GLY H . 20 . HN 1 1 138 1 1 1 1 19 LEU MD2 . 19 . HD2# 1 1 138 1 2 1 1 20 GLY H . 20 . HN 1 1 139 1 1 1 1 24 LYS QB . 24 . HB# 1 1 139 1 2 1 1 25 MET H . 25 . HN 1 1 140 1 1 1 1 24 LYS QD . 24 . HD# 1 1 140 1 2 1 1 25 MET H . 25 . HN 1 1 141 1 1 1 1 22 LYS HG2 . 22 . HG2 1 1 141 1 2 1 1 25 MET H . 25 . HN 1 1 142 1 1 1 1 22 LYS HG3 . 22 . HG1 1 1 142 1 2 1 1 25 MET H . 25 . HN 1 1 143 1 1 1 1 26 LYS HB2 . 26 . HB2 1 1 143 1 2 1 1 27 TYR H . 27 . HN 1 1 144 1 1 1 1 9 CYS H . 9 . HN 1 1 144 1 2 1 1 27 TYR HA . 27 . HA 1 1 145 1 1 1 1 17 LYS HA . 17 . HA 1 1 145 1 2 1 1 19 LEU H . 19 . HN 1 1 146 1 1 1 1 22 LYS H . 22 . HN 1 1 146 1 2 1 1 28 CYS HA . 28 . HA 1 1 147 1 1 1 1 19 LEU HA . 19 . HA 1 1 147 1 2 1 1 29 ALA H . 29 . HN 1 1 148 1 1 1 1 19 LEU HB3 . 19 . HB1 1 1 148 1 2 1 1 29 ALA H . 29 . HN 1 1 149 1 1 1 1 21 CYS HA . 21 . HA 1 1 149 1 2 1 1 29 ALA H . 29 . HN 1 1 150 1 1 1 1 12 ASP HA . 12 . HA 1 1 150 1 2 1 1 21 CYS H . 21 . HN 1 1 151 1 1 1 1 12 ASP HB3 . 12 . HB1 1 1 151 1 2 1 1 21 CYS H . 21 . HN 1 1 152 1 1 1 1 12 ASP HB2 . 12 . HB2 1 1 152 1 2 1 1 21 CYS H . 21 . HN 1 1 153 1 1 1 1 10 GLU H . 10 . HN 1 1 153 1 2 1 1 14 ASP HB3 . 14 . HB1 1 1 154 1 1 1 1 10 GLU H . 10 . HN 1 1 154 1 2 1 1 14 ASP HB2 . 14 . HB2 1 1 155 1 1 1 1 10 GLU H . 10 . HN 1 1 155 1 2 1 1 11 LYS HA . 11 . HA 1 1 156 1 1 1 1 12 ASP H . 12 . HN 1 1 156 1 2 1 1 21 CYS HB2 . 21 . HB2 1 1 157 1 1 1 1 12 ASP H . 12 . HN 1 1 157 1 2 1 1 21 CYS HB3 . 21 . HB1 1 1 158 1 1 1 1 16 CYS H . 16 . HN 1 1 158 1 2 1 1 19 LEU HB3 . 19 . HB1 1 1 159 1 1 1 1 2 CYS HB3 . 2 . HB1 1 1 159 1 2 1 1 16 CYS H . 16 . HN 1 1 160 1 1 1 1 2 CYS HB2 . 2 . HB2 1 1 160 1 2 1 1 16 CYS H . 16 . HN 1 1 161 1 1 1 1 2 CYS HA . 2 . HA 1 1 161 1 2 1 1 16 CYS H . 16 . HN 1 1 162 1 1 1 1 11 LYS HD3 . 11 . HD1 1 1 162 1 2 1 1 13 GLU H . 13 . HN 1 1 163 1 1 1 1 3 ARG H . 3 . HN 1 1 163 1 2 1 1 15 CYS HA . 15 . HA 1 1 164 1 1 1 1 20 GLY H . 20 . HN 1 1 164 1 2 1 1 28 CYS HA . 28 . HA 1 1 165 1 1 1 1 20 GLY H . 20 . HN 1 1 165 1 2 1 1 30 TRP HA . 30 . HA 1 1 166 1 1 1 1 20 GLY H . 20 . HN 1 1 166 1 2 1 1 29 ALA MB . 29 . HB# 1 1 167 1 1 1 1 20 GLY H . 20 . HN 1 1 167 1 2 1 1 31 ASP QB . 31 . HB# 1 1 168 1 1 1 1 20 GLY H . 20 . HN 1 1 168 1 2 1 1 28 CYS HB3 . 28 . HB1 1 1 169 1 1 1 1 15 CYS HB2 . 15 . HB2 1 1 169 1 2 1 1 20 GLY H . 20 . HN 1 1 170 1 1 1 1 1 ASP HA . 1 . HA 1 1 170 1 2 1 1 2 CYS H . 2 . HN 1 1 171 1 1 1 1 3 ARG QD . 3 . HD# 1 1 171 1 2 1 1 8 ASP H . 8 . HN 1 1 172 1 1 1 1 3 ARG QB . 3 . HB# 1 1 172 1 2 1 1 8 ASP H . 8 . HN 1 1 173 1 1 1 1 10 GLU H . 10 . HN 1 1 173 1 2 1 1 11 LYS H . 11 . HN 1 1 174 1 1 1 1 28 CYS H . 28 . HN 1 1 174 1 2 1 1 29 ALA H . 29 . HN 1 1 175 1 1 1 1 20 GLY H . 20 . HN 1 1 175 1 2 1 1 29 ALA H . 29 . HN 1 1 176 1 1 1 1 22 LYS H . 22 . HN 1 1 176 1 2 1 1 29 ALA H . 29 . HN 1 1 177 1 1 1 1 21 CYS H . 21 . HN 1 1 177 1 2 1 1 22 LYS H . 22 . HN 1 1 178 1 1 1 1 11 LYS H . 11 . HN 1 1 178 1 2 1 1 12 ASP H . 12 . HN 1 1 179 1 1 1 1 12 ASP H . 12 . HN 1 1 179 1 2 1 1 13 GLU H . 13 . HN 1 1 180 1 1 1 1 6 PHE H . 6 . HN 1 1 180 1 2 1 1 6 PHE QD . 6 . HD# 1 1 181 1 1 1 1 16 CYS H . 16 . HN 1 1 181 1 2 1 1 17 LYS H . 17 . HN 1 1 182 1 1 1 1 15 CYS H . 15 . HN 1 1 182 1 2 1 1 16 CYS H . 16 . HN 1 1 183 1 1 1 1 5 MET H . 5 . HN 1 1 183 1 2 1 1 6 PHE H . 6 . HN 1 1 184 1 1 1 1 25 MET H . 25 . HN 1 1 184 1 2 1 1 26 LYS H . 26 . HN 1 1 185 1 1 1 1 14 ASP H . 14 . HN 1 1 185 1 2 1 1 15 CYS H . 15 . HN 1 1 186 1 1 1 1 18 HIS H . 18 . HN 1 1 186 1 2 1 1 19 LEU H . 19 . HN 1 1 187 1 1 1 1 30 TRP HD1 . 30 . HD1 1 1 187 1 2 1 1 31 ASP H . 31 . HN 1 1 188 1 1 1 1 31 ASP H . 31 . HN 1 1 188 1 2 1 1 32 PHE H . 32 . HN 1 1 189 1 1 1 1 4 TYR H . 4 . HN 1 1 189 1 2 1 1 4 TYR QD . 4 . HD# 1 1 190 1 1 1 1 26 LYS H . 26 . HN 1 1 190 1 2 1 1 27 TYR H . 27 . HN 1 1 191 1 1 1 1 22 LYS H . 22 . HN 1 1 191 1 2 1 1 27 TYR H . 27 . HN 1 1 192 1 1 1 1 24 LYS H . 24 . HN 1 1 192 1 2 1 1 25 MET H . 25 . HN 1 1 193 1 1 1 1 13 GLU H . 13 . HN 1 1 193 1 2 1 1 14 ASP H . 14 . HN 1 1 194 1 1 1 1 11 LYS H . 11 . HN 1 1 194 1 2 1 1 13 GLU H . 13 . HN 1 1 195 1 1 1 1 3 ARG H . 3 . HN 1 1 195 1 2 1 1 4 TYR H . 4 . HN 1 1 196 1 1 1 1 23 ARG H . 23 . HN 1 1 196 1 2 1 1 24 LYS H . 24 . HN 1 1 197 1 1 1 1 3 ARG H . 3 . HN 1 1 197 1 2 1 1 16 CYS H . 16 . HN 1 1 198 1 1 1 1 16 CYS HB3 . 16 . HB1 1 1 198 1 2 1 1 17 LYS H . 17 . HN 1 1 199 1 1 1 1 9 CYS H . 9 . HN 1 1 199 1 2 1 1 26 LYS HB2 . 26 . HB2 1 1 200 1 1 1 1 9 CYS H . 9 . HN 1 1 200 1 2 1 1 26 LYS QG . 26 . HG# 1 1 201 1 1 1 1 5 MET H . 5 . HN 1 1 201 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1 202 1 1 1 1 5 MET H . 5 . HN 1 1 202 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 1 203 1 1 1 1 19 LEU HA . 19 . HA 1 1 203 1 2 1 1 31 ASP H . 31 . HN 1 1 204 1 1 1 1 9 CYS HA . 9 . HA 1 1 204 1 2 1 1 11 LYS H . 11 . HN 1 1 205 1 1 1 1 11 LYS HA . 11 . HA 1 1 205 1 2 1 1 14 ASP H . 14 . HN 1 1 206 1 1 1 1 4 TYR HB3 . 4 . HB1 1 1 206 1 2 1 1 5 MET H . 5 . HN 1 1 207 1 1 1 1 4 TYR HB2 . 4 . HB2 1 1 207 1 2 1 1 5 MET H . 5 . HN 1 1 208 1 1 1 1 12 ASP HB3 . 12 . HB1 1 1 208 1 2 1 1 14 ASP H . 14 . HN 1 1 209 1 1 1 1 34 PHE HA . 34 . HA 1 1 209 1 2 1 1 35 THR H . 35 . HN 1 1 210 1 1 1 1 5 MET ME . 5 . HE# 1 1 210 1 2 1 1 6 PHE QD . 6 . HD# 1 1 211 1 1 1 1 18 HIS HB3 . 18 . HB1 1 1 211 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 212 1 1 1 1 18 HIS HB2 . 18 . HB2 1 1 212 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 213 1 1 1 1 23 ARG HB2 . 23 . HB2 1 1 213 1 2 1 1 23 ARG HE . 23 . HE 1 1 214 1 1 1 1 23 ARG HB3 . 23 . HB1 1 1 214 1 2 1 1 23 ARG HE . 23 . HE 1 1 215 1 1 1 1 32 PHE QD . 32 . HD# 1 1 215 1 2 1 1 33 THR MG . 33 . HG2# 1 1 216 1 1 1 1 31 ASP QB . 31 . HB# 1 1 216 1 2 1 1 32 PHE QD . 32 . HD# 1 1 217 1 1 1 1 32 PHE HA . 32 . HA 1 1 217 1 2 1 1 32 PHE QD . 32 . HD# 1 1 218 1 1 1 1 6 PHE HA . 6 . HA 1 1 218 1 2 1 1 6 PHE QD . 6 . HD# 1 1 219 1 1 1 1 5 MET HG2 . 5 . HG2 1 1 219 1 2 1 1 6 PHE QD . 6 . HD# 1 1 220 1 1 1 1 5 MET HB2 . 5 . HB2 1 1 220 1 2 1 1 6 PHE QD . 6 . HD# 1 1 221 1 1 1 1 5 MET HB3 . 5 . HB1 1 1 221 1 2 1 1 6 PHE QD . 6 . HD# 1 1 222 1 1 1 1 5 MET HG3 . 5 . HG1 1 1 222 1 2 1 1 6 PHE QD . 6 . HD# 1 1 223 1 1 1 1 5 MET HG2 . 5 . HG2 1 1 223 1 2 1 1 6 PHE QE . 6 . HE# 1 1 224 1 1 1 1 4 TYR HA . 4 . HA 1 1 224 1 2 1 1 4 TYR QD . 4 . HD# 1 1 225 1 1 1 1 4 TYR HA . 4 . HA 1 1 225 1 2 1 1 4 TYR QE . 4 . HE# 1 1 226 1 1 1 1 18 HIS HA . 18 . HA 1 1 226 1 2 1 1 18 HIS HD2 . 18 . HD2 1 1 227 1 1 1 1 4 TYR QD . 4 . HD# 1 1 227 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1 228 1 1 1 1 4 TYR QD . 4 . HD# 1 1 228 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 1 229 1 1 1 1 4 TYR QD . 4 . HD# 1 1 229 1 2 1 1 16 CYS HB3 . 16 . HB1 1 1 230 1 1 1 1 34 PHE HA . 34 . HA 1 1 230 1 2 1 1 34 PHE QD . 34 . HD# 1 1 231 1 1 1 1 6 PHE HA . 6 . HA 1 1 231 1 2 1 1 6 PHE QE . 6 . HE# 1 1 232 1 1 1 1 25 MET HB3 . 25 . HB1 1 1 232 1 2 1 1 27 TYR QD . 27 . HD# 1 1 233 1 1 1 1 30 TRP HA . 30 . HA 1 1 233 1 2 1 1 30 TRP HD1 . 30 . HD1 1 1 234 1 1 1 1 25 MET HB2 . 25 . HB2 1 1 234 1 2 1 1 27 TYR QD . 27 . HD# 1 1 235 1 1 1 1 25 MET HA . 25 . HA 1 1 235 1 2 1 1 27 TYR QD . 27 . HD# 1 1 236 1 1 1 1 25 MET HA . 25 . HA 1 1 236 1 2 1 1 27 TYR QE . 27 . HE# 1 1 237 1 1 1 1 25 MET HG3 . 25 . HG1 1 1 237 1 2 1 1 27 TYR QE . 27 . HE# 1 1 238 1 1 1 1 25 MET HB2 . 25 . HB2 1 1 238 1 2 1 1 27 TYR QE . 27 . HE# 1 1 239 1 1 1 1 25 MET HB3 . 25 . HB1 1 1 239 1 2 1 1 27 TYR QE . 27 . HE# 1 1 240 1 1 1 1 9 CYS QB . 9 . HB# 1 1 240 1 2 1 1 27 TYR HA . 27 . HA 1 1 241 1 1 1 1 26 LYS HA . 26 . HA 1 1 241 1 2 1 1 27 TYR HA . 27 . HA 1 1 242 1 1 1 1 8 ASP HA . 8 . HA 1 1 242 1 2 1 1 27 TYR HA . 27 . HA 1 1 243 1 1 1 1 27 TYR HA . 27 . HA 1 1 243 1 2 1 1 28 CYS HB2 . 28 . HB2 1 1 244 1 1 1 1 8 ASP H . 8 . HN 1 1 244 1 2 1 1 9 CYS H . 9 . HN 1 1 245 1 1 1 1 17 LYS H . 17 . HN 1 1 245 1 2 1 1 18 HIS H . 18 . HN 1 1 246 1 1 1 1 27 TYR H . 27 . HN 1 1 246 1 2 1 1 28 CYS H . 28 . HN 1 1 247 1 1 1 1 27 TYR QD . 27 . HD# 1 1 247 1 2 1 1 28 CYS H . 28 . HN 1 1 248 1 1 1 1 8 ASP HA . 8 . HA 1 1 248 1 2 1 1 28 CYS H . 28 . HN 1 1 249 1 1 1 1 21 CYS HA . 21 . HA 1 1 249 1 2 1 1 28 CYS H . 28 . HN 1 1 250 1 1 1 1 32 PHE H . 32 . HN 1 1 250 1 2 1 1 32 PHE QD . 32 . HD# 1 1 251 1 1 1 1 30 TRP H . 30 . HN 1 1 251 1 2 1 1 30 TRP HD1 . 30 . HD1 1 1 252 1 1 1 1 17 LYS H . 17 . HN 1 1 252 1 2 1 1 17 LYS QD . 17 . HD# 1 1 253 1 1 1 1 5 MET HA . 5 . HA 1 1 253 1 2 1 1 6 PHE QE . 6 . HE# 1 1 254 1 1 1 1 25 MET HB3 . 25 . HB1 1 1 254 1 2 1 1 27 TYR H . 27 . HN 1 1 255 1 1 1 1 9 CYS QB . 9 . HB# 1 1 255 1 2 1 1 14 ASP H . 14 . HN 1 1 256 1 1 1 1 27 TYR HA . 27 . HA 1 1 256 1 2 1 1 27 TYR QD . 27 . HD# 1 1 257 1 1 1 1 4 TYR QE . 4 . HE# 1 1 257 1 2 1 1 16 CYS HB3 . 16 . HB1 1 1 258 1 1 1 1 25 MET HB2 . 25 . HB2 1 1 258 1 2 1 1 27 TYR H . 27 . HN 1 1 259 1 1 1 1 4 TYR QE . 4 . HE# 1 1 259 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 1 260 1 1 1 1 19 LEU MD1 . 19 . HD1# 1 1 260 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 261 1 1 1 1 9 CYS QB . 9 . HB# 1 1 261 1 2 1 1 11 LYS H . 11 . HN 1 1 262 1 1 1 1 34 PHE H . 34 . HN 1 1 262 1 2 1 1 34 PHE QD . 34 . HD# 1 1 263 1 1 1 1 34 PHE H . 34 . HN 1 1 263 1 2 1 1 35 THR H . 35 . HN 1 1 264 1 1 1 1 4 TYR QD . 4 . HD# 1 1 264 1 2 1 1 5 MET H . 5 . HN 1 1 265 1 1 1 1 6 PHE QE . 6 . HE# 1 1 265 1 2 1 1 27 TYR QE . 27 . HE# 1 1 266 1 1 1 1 30 TRP HA . 30 . HA 1 1 266 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 267 1 1 1 1 30 TRP HB3 . 30 . HB1 1 1 267 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 268 1 1 1 1 30 TRP HB2 . 30 . HB2 1 1 268 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 269 1 1 1 1 5 MET ME . 5 . HE# 1 1 269 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 270 1 1 1 1 19 LEU MD2 . 19 . HD2# 1 1 270 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 271 1 1 1 1 2 CYS HB2 . 2 . HB2 1 1 271 1 2 1 1 17 LYS H . 17 . HN 1 1 272 1 1 1 1 22 LYS H . 22 . HN 1 1 272 1 2 1 1 32 PHE HA . 32 . HA 1 1 273 1 1 1 1 22 LYS H . 22 . HN 1 1 273 1 2 1 1 22 LYS HG2 . 22 . HG2 1 1 274 1 1 1 1 11 LYS HG2 . 11 . HG2 1 1 274 1 2 1 1 12 ASP H . 12 . HN 1 1 275 1 1 1 1 24 LYS H . 24 . HN 1 1 275 1 2 1 1 25 MET HB3 . 25 . HB1 1 1 276 1 1 1 1 17 LYS HB3 . 17 . HB1 1 1 276 1 2 1 1 18 HIS H . 18 . HN 1 1 277 1 1 1 1 2 CYS HB3 . 2 . HB1 1 1 277 1 2 1 1 17 LYS H . 17 . HN 1 1 278 1 1 1 1 13 GLU HA . 13 . HA 1 1 278 1 2 1 1 15 CYS H . 15 . HN 1 1 279 1 1 1 1 12 ASP HA . 12 . HA 1 1 279 1 2 1 1 15 CYS H . 15 . HN 1 1 280 1 1 1 1 33 THR HB . 33 . HB 1 1 280 1 2 1 1 34 PHE H . 34 . HN 1 1 281 1 1 1 1 9 CYS H . 9 . HN 1 1 281 1 2 1 1 26 LYS HA . 26 . HA 1 1 282 1 1 1 1 12 ASP HA . 12 . HA 1 1 282 1 2 1 1 14 ASP H . 14 . HN 1 1 283 1 1 1 1 19 LEU HG . 19 . HG 1 1 283 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 284 1 1 1 1 22 LYS QD . 22 . HD# 1 1 284 1 2 1 1 25 MET H . 25 . HN 1 1 285 1 1 1 1 22 LYS HB3 . 22 . HB1 1 1 285 1 2 1 1 25 MET H . 25 . HN 1 1 286 1 1 1 1 25 MET ME . 25 . HE# 1 1 286 1 2 1 1 27 TYR QE . 27 . HE# 1 1 287 1 1 1 1 6 PHE HA . 6 . HA 1 1 287 1 2 1 1 27 TYR QE . 27 . HE# 1 1 288 1 1 1 1 25 MET ME . 25 . HE# 1 1 288 1 2 1 1 27 TYR QD . 27 . HD# 1 1 289 1 1 1 1 18 HIS HB2 . 18 . HB2 1 1 289 1 2 1 1 30 TRP HZ3 . 30 . HZ3 1 1 290 1 1 1 1 18 HIS HB2 . 18 . HB2 1 1 290 1 2 1 1 30 TRP HH2 . 30 . HH2 1 1 291 1 1 1 1 6 PHE QD . 6 . HD# 1 1 291 1 2 1 1 27 TYR QD . 27 . HD# 1 1 292 1 1 1 1 9 CYS QB . 9 . HB# 1 1 292 1 2 1 1 28 CYS H . 28 . HN 1 1 293 1 1 1 1 15 CYS H . 15 . HN 1 1 293 1 2 1 1 21 CYS HB2 . 21 . HB2 1 1 294 1 1 1 1 5 MET HB2 . 5 . HB2 1 1 294 1 2 1 1 6 PHE QE . 6 . HE# 1 1 295 1 1 1 1 5 MET HG3 . 5 . HG1 1 1 295 1 2 1 1 6 PHE QE . 6 . HE# 1 1 296 1 1 1 1 6 PHE QD . 6 . HD# 1 1 296 1 2 1 1 27 TYR HB3 . 27 . HB1 1 1 297 1 1 1 1 6 PHE QD . 6 . HD# 1 1 297 1 2 1 1 27 TYR HB2 . 27 . HB2 1 1 298 1 1 1 1 25 MET HG2 . 25 . HG2 1 1 298 1 2 1 1 27 TYR QE . 27 . HE# 1 1 299 1 1 1 1 25 MET HG2 . 25 . HG2 1 1 299 1 2 1 1 27 TYR QD . 27 . HD# 1 1 300 1 1 1 1 6 PHE HA . 6 . HA 1 1 300 1 2 1 1 27 TYR QD . 27 . HD# 1 1 301 1 1 1 1 5 MET HA . 5 . HA 1 1 301 1 2 1 1 27 TYR QD . 27 . HD# 1 1 302 1 1 1 1 5 MET HA . 5 . HA 1 1 302 1 2 1 1 27 TYR QE . 27 . HE# 1 1 303 1 1 1 1 6 PHE HB2 . 6 . HB2 1 1 303 1 2 1 1 27 TYR QD . 27 . HD# 1 1 304 1 1 1 1 8 ASP HA . 8 . HA 1 1 304 1 2 1 1 27 TYR QD . 27 . HD# 1 1 305 1 1 1 1 27 TYR QD . 27 . HD# 1 1 305 1 2 1 1 28 CYS HA . 28 . HA 1 1 306 1 1 1 1 19 LEU HB2 . 19 . HB2 1 1 306 1 2 1 1 29 ALA H . 29 . HN 1 1 307 1 1 1 1 6 PHE HA . 6 . HA 1 1 307 1 2 1 1 27 TYR HA . 27 . HA 1 1 308 1 1 1 1 25 MET HG3 . 25 . HG1 1 1 308 1 2 1 1 27 TYR QD . 27 . HD# 1 1 309 1 1 1 1 22 LYS HG2 . 22 . HG2 1 1 309 1 2 1 1 23 ARG H . 23 . HN 1 1 310 1 1 1 1 17 LYS HG2 . 17 . HG2 1 1 310 1 2 1 1 18 HIS H . 18 . HN 1 1 311 1 1 1 1 22 LYS HB2 . 22 . HB2 1 1 311 1 2 1 1 25 MET H . 25 . HN 1 1 312 1 1 1 1 13 GLU H . 13 . HN 1 1 312 1 2 1 1 13 GLU HB3 . 13 . HB1 1 1 313 1 1 1 1 22 LYS H . 22 . HN 1 1 313 1 2 1 1 22 LYS QE . 22 . HE# 1 1 314 1 1 1 1 3 ARG QB . 3 . HB# 1 1 314 1 2 1 1 16 CYS H . 16 . HN 1 1 315 1 1 1 1 27 TYR QE . 27 . HE# 1 1 315 1 2 1 1 29 ALA MB . 29 . HB# 1 1 316 1 1 1 1 27 TYR QD . 27 . HD# 1 1 316 1 2 1 1 29 ALA MB . 29 . HB# 1 1 317 1 1 1 1 11 LYS H . 11 . HN 1 1 317 1 2 1 1 14 ASP HB3 . 14 . HB1 1 1 318 1 1 1 1 9 CYS HA . 9 . HA 1 1 318 1 2 1 1 14 ASP H . 14 . HN 1 1 319 1 1 1 1 9 CYS QB . 9 . HB# 1 1 319 1 2 1 1 21 CYS H . 21 . HN 1 1 320 1 1 1 1 6 PHE H . 6 . HN 1 1 320 1 2 1 1 27 TYR QD . 27 . HD# 1 1 321 1 1 1 1 11 LYS H . 11 . HN 1 1 321 1 2 1 1 21 CYS HB3 . 21 . HB1 1 1 322 1 1 1 1 5 MET HB3 . 5 . HB1 1 1 322 1 2 1 1 30 TRP HE1 . 30 . HE1 1 1 323 1 1 1 1 5 MET ME . 5 . HE# 1 1 323 1 2 1 1 30 TRP H . 30 . HN 1 1 324 1 1 1 1 5 MET ME . 5 . HE# 1 1 324 1 2 1 1 30 TRP HE1 . 30 . HE1 1 1 325 1 1 1 1 23 ARG HA . 23 . HA 1 1 325 1 2 1 1 26 LYS H . 26 . HN 1 1 326 1 1 1 1 6 PHE HA . 6 . HA 1 1 326 1 2 1 1 28 CYS H . 28 . HN 1 1 327 1 1 1 1 5 MET HA . 5 . HA 1 1 327 1 2 1 1 28 CYS H . 28 . HN 1 1 328 1 1 1 1 20 GLY H . 20 . HN 1 1 328 1 2 1 1 21 CYS H . 21 . HN 1 1 329 1 1 1 1 12 ASP H . 12 . HN 1 1 329 1 2 1 1 21 CYS H . 21 . HN 1 1 330 1 1 1 1 9 CYS H . 9 . HN 1 1 330 1 2 1 1 28 CYS H . 28 . HN 1 1 331 1 1 1 1 5 MET ME . 5 . HE# 1 1 331 1 2 1 1 6 PHE QE . 6 . HE# 1 1 332 1 1 1 1 19 LEU MD1 . 19 . HD1# 1 1 332 1 2 1 1 30 TRP HZ2 . 30 . HZ2 1 1 333 1 1 1 1 19 LEU MD2 . 19 . HD2# 1 1 333 1 2 1 1 30 TRP HZ2 . 30 . HZ2 1 1 334 1 1 1 1 4 TYR QE . 4 . HE# 1 1 334 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1 335 1 1 1 1 19 LEU MD2 . 19 . HD2# 1 1 335 1 2 1 1 30 TRP HZ3 . 30 . HZ3 1 1 336 1 1 1 1 19 LEU MD1 . 19 . HD1# 1 1 336 1 2 1 1 30 TRP HZ3 . 30 . HZ3 1 1 337 1 1 1 1 26 LYS HA . 26 . HA 1 1 337 1 2 1 1 26 LYS QE . 26 . HE# 1 1 338 1 1 1 1 26 LYS HA . 26 . HA 1 1 338 1 2 1 1 26 LYS QD . 26 . HD# 1 1 339 1 1 1 1 26 LYS HA . 26 . HA 1 1 339 1 2 1 1 26 LYS QG . 26 . HG# 1 1 340 1 1 1 1 26 LYS HB3 . 26 . HB1 1 1 340 1 2 1 1 26 LYS QD . 26 . HD# 1 1 341 1 1 1 1 22 LYS HA . 22 . HA 1 1 341 1 2 1 1 23 ARG QD . 23 . HD# 1 1 342 1 1 1 1 24 LYS HA . 24 . HA 1 1 342 1 2 1 1 24 LYS QD . 24 . HD# 1 1 343 1 1 1 1 24 LYS HA . 24 . HA 1 1 343 1 2 1 1 24 LYS QE . 24 . HE# 1 1 344 1 1 1 1 23 ARG HB2 . 23 . HB2 1 1 344 1 2 1 1 23 ARG QD . 23 . HD# 1 1 345 1 1 1 1 22 LYS HB2 . 22 . HB2 1 1 345 1 2 1 1 23 ARG QD . 23 . HD# 1 1 346 1 1 1 1 11 LYS HA . 11 . HA 1 1 346 1 2 1 1 21 CYS HB3 . 21 . HB1 1 1 347 1 1 1 1 17 LYS HB2 . 17 . HB2 1 1 347 1 2 1 1 17 LYS QE . 17 . HE# 1 1 348 1 1 1 1 10 GLU HA . 10 . HA 1 1 348 1 2 1 1 10 GLU QG . 10 . HG# 1 1 349 1 1 1 1 2 CYS HB2 . 2 . HB2 1 1 349 1 2 1 1 16 CYS HB3 . 16 . HB1 1 1 350 1 1 1 1 19 LEU HA . 19 . HA 1 1 350 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1 351 1 1 1 1 19 LEU HA . 19 . HA 1 1 351 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 1 352 1 1 1 1 24 LYS QB . 24 . HB# 1 1 352 1 2 1 1 24 LYS QE . 24 . HE# 1 1 353 1 1 1 1 33 THR HA . 33 . HA 1 1 353 1 2 1 1 33 THR MG . 33 . HG2# 1 1 354 1 1 1 1 35 THR HA . 35 . HA 1 1 354 1 2 1 1 35 THR MG . 35 . HG2# 1 1 355 1 1 1 1 2 CYS HB3 . 2 . HB1 1 1 355 1 2 1 1 16 CYS HA . 16 . HA 1 1 356 1 1 1 1 19 LEU HA . 19 . HA 1 1 356 1 2 1 1 31 ASP QB . 31 . HB# 1 1 357 1 1 1 1 5 MET HA . 5 . HA 1 1 357 1 2 1 1 28 CYS HB3 . 28 . HB1 1 1 358 1 1 1 1 12 ASP HA . 12 . HA 1 1 358 1 2 1 1 21 CYS HB2 . 21 . HB2 1 1 359 1 1 1 1 10 GLU HB3 . 10 . HB1 1 1 359 1 2 1 1 10 GLU QG . 10 . HG# 1 1 360 1 1 1 1 26 LYS HB2 . 26 . HB2 1 1 360 1 2 1 1 26 LYS QD . 26 . HD# 1 1 361 1 1 1 1 19 LEU HB3 . 19 . HB1 1 1 361 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 1 362 1 1 1 1 19 LEU HB3 . 19 . HB1 1 1 362 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1 363 1 1 1 1 17 LYS HA . 17 . HA 1 1 363 1 2 1 1 17 LYS QD . 17 . HD# 1 1 364 1 1 1 1 9 CYS QB . 9 . HB# 1 1 364 1 2 1 1 21 CYS HB2 . 21 . HB2 1 1 365 1 1 1 1 19 LEU MD1 . 19 . HD1# 1 1 365 1 2 1 1 28 CYS HB3 . 28 . HB1 1 1 366 1 1 1 1 19 LEU MD1 . 19 . HD1# 1 1 366 1 2 1 1 28 CYS HB2 . 28 . HB2 1 1 367 1 1 1 1 19 LEU MD2 . 19 . HD2# 1 1 367 1 2 1 1 28 CYS HB3 . 28 . HB1 1 1 368 1 1 1 1 19 LEU MD2 . 19 . HD2# 1 1 368 1 2 1 1 28 CYS HB2 . 28 . HB2 1 1 369 1 1 1 1 5 MET HA . 5 . HA 1 1 369 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 1 370 1 1 1 1 5 MET HA . 5 . HA 1 1 370 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1 371 1 1 1 1 28 CYS HA . 28 . HA 1 1 371 1 2 1 1 29 ALA MB . 29 . HB# 1 1 372 1 1 1 1 9 CYS QB . 9 . HB# 1 1 372 1 2 1 1 21 CYS HB3 . 21 . HB1 1 1 373 1 1 1 1 8 ASP HB2 . 8 . HB2 1 1 373 1 2 1 1 9 CYS QB . 9 . HB# 1 1 374 1 1 1 1 15 CYS HB2 . 15 . HB2 1 1 374 1 2 1 1 19 LEU HB2 . 19 . HB2 1 1 375 1 1 1 1 15 CYS HB3 . 15 . HB1 1 1 375 1 2 1 1 19 LEU HB2 . 19 . HB2 1 1 376 1 1 1 1 4 TYR HB2 . 4 . HB2 1 1 376 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 1 377 1 1 1 1 5 MET HB3 . 5 . HB1 1 1 377 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 1 378 1 1 1 1 15 CYS HB2 . 15 . HB2 1 1 378 1 2 1 1 19 LEU HB3 . 19 . HB1 1 1 379 1 1 1 1 6 PHE HA . 6 . HA 1 1 379 1 2 1 1 27 TYR HB3 . 27 . HB1 1 1 380 1 1 1 1 3 ARG QB . 3 . HB# 1 1 380 1 2 1 1 15 CYS HA . 15 . HA 1 1 381 1 1 1 1 8 ASP HB2 . 8 . HB2 1 1 381 1 2 1 1 9 CYS HA . 9 . HA 1 1 382 1 1 1 1 15 CYS HB3 . 15 . HB1 1 1 382 1 2 1 1 19 LEU HB3 . 19 . HB1 1 1 383 1 1 1 1 19 LEU HB3 . 19 . HB1 1 1 383 1 2 1 1 28 CYS HB3 . 28 . HB1 1 1 384 1 1 1 1 9 CYS HA . 9 . HA 1 1 384 1 2 1 1 14 ASP HB2 . 14 . HB2 1 1 385 1 1 1 1 5 MET HA . 5 . HA 1 1 385 1 2 1 1 28 CYS HB2 . 28 . HB2 1 1 386 1 1 1 1 6 PHE HA . 6 . HA 1 1 386 1 2 1 1 27 TYR HB2 . 27 . HB2 1 1 387 1 1 1 1 5 MET HA . 5 . HA 1 1 387 1 2 1 1 29 ALA HA . 29 . HA 1 1 388 1 1 1 1 12 ASP HA . 12 . HA 1 1 388 1 2 1 1 21 CYS HB3 . 21 . HB1 1 1 389 1 1 1 1 14 ASP HB3 . 14 . HB1 1 1 389 1 2 1 1 15 CYS HA . 15 . HA 1 1 390 1 1 1 1 8 ASP HA . 8 . HA 1 1 390 1 2 1 1 27 TYR HB2 . 27 . HB2 1 1 391 1 1 1 1 9 CYS HA . 9 . HA 1 1 391 1 2 1 1 14 ASP HB3 . 14 . HB1 1 1 392 1 1 1 1 1 ASP HA . 1 . HA 1 1 392 1 2 1 1 2 CYS HB3 . 2 . HB1 1 1 393 1 1 1 1 5 MET HB3 . 5 . HB1 1 1 393 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1 394 1 1 1 1 4 TYR HB2 . 4 . HB2 1 1 394 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1 395 1 1 1 1 3 ARG HG2 . 3 . HG2 1 1 395 1 2 1 1 15 CYS HA . 15 . HA 1 1 396 1 1 1 1 3 ARG HG3 . 3 . HG1 1 1 396 1 2 1 1 15 CYS HA . 15 . HA 1 1 397 1 1 1 1 5 MET HB2 . 5 . HB2 1 1 397 1 2 1 1 29 ALA HA . 29 . HA 1 1 398 1 1 1 1 5 MET HB3 . 5 . HB1 1 1 398 1 2 1 1 29 ALA HA . 29 . HA 1 1 399 1 1 1 1 19 LEU HG . 19 . HG 1 1 399 1 2 1 1 30 TRP HA . 30 . HA 1 1 400 1 1 1 1 9 CYS QB . 9 . HB# 1 1 400 1 2 1 1 14 ASP HB3 . 14 . HB1 1 1 401 1 1 1 1 11 LYS HA . 11 . HA 1 1 401 1 2 1 1 11 LYS HD2 . 11 . HD2 1 1 402 1 1 1 1 11 LYS HA . 11 . HA 1 1 402 1 2 1 1 11 LYS HD3 . 11 . HD1 1 1 403 1 1 1 1 22 LYS QD . 22 . HD# 1 1 403 1 2 1 1 23 ARG QG . 23 . HG# 1 1 404 1 1 1 1 1 ASP QB . 1 . HB# 1 1 404 1 2 1 1 2 CYS H . 2 . HN 1 1 405 1 1 1 1 3 ARG HA . 3 . HA 1 1 405 1 2 1 1 7 GLY QA . 7 . HA# 1 1 406 1 1 1 1 3 ARG QB . 3 . HB# 1 1 406 1 2 1 1 7 GLY QA . 7 . HA# 1 1 407 1 1 1 1 3 ARG QG . 3 . HG# 1 1 407 1 2 1 1 7 GLY QA . 7 . HA# 1 1 408 1 1 1 1 3 ARG QG . 3 . HG# 1 1 408 1 2 1 1 8 ASP H . 8 . HN 1 1 409 1 1 1 1 3 ARG QD . 3 . HD# 1 1 409 1 2 1 1 7 GLY QA . 7 . HA# 1 1 410 1 1 1 1 3 ARG HE . 3 . HE 1 1 410 1 2 1 1 7 GLY QA . 7 . HA# 1 1 411 1 1 1 1 4 TYR H . 4 . HN 1 1 411 1 2 1 1 7 GLY QA . 7 . HA# 1 1 412 1 1 1 1 4 TYR H . 4 . HN 1 1 412 1 2 1 1 19 LEU QD . 19 . HD# 1 1 413 1 1 1 1 4 TYR HA . 4 . HA 1 1 413 1 2 1 1 19 LEU QD . 19 . HD# 1 1 414 1 1 1 1 4 TYR QD . 4 . HD# 1 1 414 1 2 1 1 19 LEU QD . 19 . HD# 1 1 415 1 1 1 1 4 TYR QE . 4 . HE# 1 1 415 1 2 1 1 19 LEU QD . 19 . HD# 1 1 416 1 1 1 1 5 MET H . 5 . HN 1 1 416 1 2 1 1 5 MET QG . 5 . HG# 1 1 417 1 1 1 1 5 MET H . 5 . HN 1 1 417 1 2 1 1 19 LEU QD . 19 . HD# 1 1 418 1 1 1 1 5 MET HA . 5 . HA 1 1 418 1 2 1 1 19 LEU QD . 19 . HD# 1 1 419 1 1 1 1 5 MET HB3 . 5 . HB1 1 1 419 1 2 1 1 19 LEU QD . 19 . HD# 1 1 420 1 1 1 1 5 MET QG . 5 . HG# 1 1 420 1 2 1 1 6 PHE H . 6 . HN 1 1 421 1 1 1 1 5 MET QG . 5 . HG# 1 1 421 1 2 1 1 6 PHE QD . 6 . HD# 1 1 422 1 1 1 1 5 MET QG . 5 . HG# 1 1 422 1 2 1 1 6 PHE QE . 6 . HE# 1 1 423 1 1 1 1 5 MET QG . 5 . HG# 1 1 423 1 2 1 1 19 LEU QD . 19 . HD# 1 1 424 1 1 1 1 5 MET QG . 5 . HG# 1 1 424 1 2 1 1 27 TYR QD . 27 . HD# 1 1 425 1 1 1 1 5 MET QG . 5 . HG# 1 1 425 1 2 1 1 29 ALA HA . 29 . HA 1 1 426 1 1 1 1 5 MET QG . 5 . HG# 1 1 426 1 2 1 1 30 TRP H . 30 . HN 1 1 427 1 1 1 1 5 MET QG . 5 . HG# 1 1 427 1 2 1 1 30 TRP HE1 . 30 . HE1 1 1 428 1 1 1 1 6 PHE H . 6 . HN 1 1 428 1 2 1 1 19 LEU QD . 19 . HD# 1 1 429 1 1 1 1 7 GLY QA . 7 . HA# 1 1 429 1 2 1 1 8 ASP H . 8 . HN 1 1 430 1 1 1 1 7 GLY QA . 7 . HA# 1 1 430 1 2 1 1 8 ASP HB2 . 8 . HB2 1 1 431 1 1 1 1 7 GLY QA . 7 . HA# 1 1 431 1 2 1 1 27 TYR HA . 27 . HA 1 1 432 1 1 1 1 10 GLU H . 10 . HN 1 1 432 1 2 1 1 11 LYS QG . 11 . HG# 1 1 433 1 1 1 1 11 LYS H . 11 . HN 1 1 433 1 2 1 1 11 LYS QB . 11 . HB# 1 1 434 1 1 1 1 11 LYS H . 11 . HN 1 1 434 1 2 1 1 11 LYS QG . 11 . HG# 1 1 435 1 1 1 1 11 LYS H . 11 . HN 1 1 435 1 2 1 1 11 LYS QD . 11 . HD# 1 1 436 1 1 1 1 11 LYS QB . 11 . HB# 1 1 436 1 2 1 1 11 LYS QE . 11 . HE# 1 1 437 1 1 1 1 11 LYS QB . 11 . HB# 1 1 437 1 2 1 1 12 ASP H . 12 . HN 1 1 438 1 1 1 1 11 LYS QG . 11 . HG# 1 1 438 1 2 1 1 12 ASP H . 12 . HN 1 1 439 1 1 1 1 11 LYS QG . 11 . HG# 1 1 439 1 2 1 1 13 GLU H . 13 . HN 1 1 440 1 1 1 1 11 LYS QG . 11 . HG# 1 1 440 1 2 1 1 13 GLU QB . 13 . HB# 1 1 441 1 1 1 1 11 LYS QG . 11 . HG# 1 1 441 1 2 1 1 14 ASP H . 14 . HN 1 1 442 1 1 1 1 11 LYS QG . 11 . HG# 1 1 442 1 2 1 1 14 ASP HA . 14 . HA 1 1 443 1 1 1 1 11 LYS QD . 11 . HD# 1 1 443 1 2 1 1 13 GLU H . 13 . HN 1 1 444 1 1 1 1 11 LYS QD . 11 . HD# 1 1 444 1 2 1 1 14 ASP H . 14 . HN 1 1 445 1 1 1 1 13 GLU H . 13 . HN 1 1 445 1 2 1 1 13 GLU QB . 13 . HB# 1 1 446 1 1 1 1 13 GLU H . 13 . HN 1 1 446 1 2 1 1 13 GLU QG . 13 . HG# 1 1 447 1 1 1 1 13 GLU HA . 13 . HA 1 1 447 1 2 1 1 13 GLU QG . 13 . HG# 1 1 448 1 1 1 1 13 GLU QB . 13 . HB# 1 1 448 1 2 1 1 13 GLU QG . 13 . HG# 1 1 449 1 1 1 1 13 GLU QB . 13 . HB# 1 1 449 1 2 1 1 14 ASP H . 14 . HN 1 1 450 1 1 1 1 13 GLU QB . 13 . HB# 1 1 450 1 2 1 1 14 ASP HB3 . 14 . HB1 1 1 451 1 1 1 1 13 GLU QG . 13 . HG# 1 1 451 1 2 1 1 14 ASP H . 14 . HN 1 1 452 1 1 1 1 15 CYS HA . 15 . HA 1 1 452 1 2 1 1 19 LEU QD . 19 . HD# 1 1 453 1 1 1 1 15 CYS HB3 . 15 . HB1 1 1 453 1 2 1 1 19 LEU QD . 19 . HD# 1 1 454 1 1 1 1 16 CYS H . 16 . HN 1 1 454 1 2 1 1 19 LEU QD . 19 . HD# 1 1 455 1 1 1 1 16 CYS HB2 . 16 . HB2 1 1 455 1 2 1 1 19 LEU QD . 19 . HD# 1 1 456 1 1 1 1 16 CYS HB3 . 16 . HB1 1 1 456 1 2 1 1 19 LEU QD . 19 . HD# 1 1 457 1 1 1 1 17 LYS H . 17 . HN 1 1 457 1 2 1 1 17 LYS QG . 17 . HG# 1 1 458 1 1 1 1 17 LYS H . 17 . HN 1 1 458 1 2 1 1 19 LEU QD . 19 . HD# 1 1 459 1 1 1 1 17 LYS QG . 17 . HG# 1 1 459 1 2 1 1 18 HIS H . 18 . HN 1 1 460 1 1 1 1 19 LEU H . 19 . HN 1 1 460 1 2 1 1 19 LEU QD . 19 . HD# 1 1 461 1 1 1 1 19 LEU HA . 19 . HA 1 1 461 1 2 1 1 19 LEU QD . 19 . HD# 1 1 462 1 1 1 1 19 LEU QD . 19 . HD# 1 1 462 1 2 1 1 20 GLY H . 20 . HN 1 1 463 1 1 1 1 19 LEU QD . 19 . HD# 1 1 463 1 2 1 1 28 CYS HB2 . 28 . HB2 1 1 464 1 1 1 1 19 LEU QD . 19 . HD# 1 1 464 1 2 1 1 28 CYS HB3 . 28 . HB1 1 1 465 1 1 1 1 19 LEU QD . 19 . HD# 1 1 465 1 2 1 1 29 ALA H . 29 . HN 1 1 466 1 1 1 1 19 LEU QD . 19 . HD# 1 1 466 1 2 1 1 29 ALA HA . 29 . HA 1 1 467 1 1 1 1 19 LEU QD . 19 . HD# 1 1 467 1 2 1 1 29 ALA MB . 29 . HB# 1 1 468 1 1 1 1 19 LEU QD . 19 . HD# 1 1 468 1 2 1 1 30 TRP H . 30 . HN 1 1 469 1 1 1 1 19 LEU QD . 19 . HD# 1 1 469 1 2 1 1 30 TRP QB . 30 . HB# 1 1 470 1 1 1 1 19 LEU QD . 19 . HD# 1 1 470 1 2 1 1 30 TRP HD1 . 30 . HD1 1 1 471 1 1 1 1 19 LEU QD . 19 . HD# 1 1 471 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 472 1 1 1 1 19 LEU QD . 19 . HD# 1 1 472 1 2 1 1 30 TRP HZ3 . 30 . HZ3 1 1 473 1 1 1 1 19 LEU QD . 19 . HD# 1 1 473 1 2 1 1 30 TRP HH2 . 30 . HH2 1 1 474 1 1 1 1 19 LEU QD . 19 . HD# 1 1 474 1 2 1 1 31 ASP H . 31 . HN 1 1 475 1 1 1 1 20 GLY QA . 20 . HA# 1 1 475 1 2 1 1 21 CYS H . 21 . HN 1 1 476 1 1 1 1 20 GLY QA . 20 . HA# 1 1 476 1 2 1 1 21 CYS HB2 . 21 . HB2 1 1 477 1 1 1 1 20 GLY QA . 20 . HA# 1 1 477 1 2 1 1 29 ALA H . 29 . HN 1 1 478 1 1 1 1 22 LYS H . 22 . HN 1 1 478 1 2 1 1 22 LYS QG . 22 . HG# 1 1 479 1 1 1 1 22 LYS QD . 22 . HD# 1 1 479 1 2 1 1 25 MET QG . 25 . HG# 1 1 480 1 1 1 1 25 MET H . 25 . HN 1 1 480 1 2 1 1 25 MET QG . 25 . HG# 1 1 481 1 1 1 1 25 MET QG . 25 . HG# 1 1 481 1 2 1 1 26 LYS H . 26 . HN 1 1 482 1 1 1 1 25 MET QG . 25 . HG# 1 1 482 1 2 1 1 27 TYR QD . 27 . HD# 1 1 483 1 1 1 1 25 MET QG . 25 . HG# 1 1 483 1 2 1 1 27 TYR QE . 27 . HE# 1 1 484 1 1 1 1 30 TRP QB . 30 . HB# 1 1 484 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 485 1 1 1 1 11 LYS HA . 11 . HA 1 1 485 1 2 1 1 23 ARG QD . 23 . HD# 1 1 486 1 1 1 1 21 CYS HB2 . 21 . HB2 1 1 486 1 2 1 1 23 ARG QD . 23 . HD# 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 . . . . . 2.61 1.8 3.42 1 1 2 1 . . . . . 2.68 1.8 3.56 1 1 3 1 . . . . . 2.515 1.8 3.23 1 1 4 1 . . . . . 2.775 1.8 3.75 1 1 5 1 . . . . . 2.875 1.8 3.95 1 1 6 1 . . . . . 2.995 1.8 4.19 1 1 7 1 . . . . . 2.355 1.8 2.91 1 1 8 1 . . . . . 2.38 1.8 2.96 1 1 9 1 . . . . . 3.24 1.8 4.68 1 1 10 1 . . . . . 2.655 1.8 3.51 1 1 11 1 . . . . . 3.65 1.8 5.5 1 1 12 1 . . . . . 3.065 1.8 4.33 1 1 13 1 . . . . . 2.575 1.8 3.35 1 1 14 1 . . . . . 2.605 1.8 3.41 1 1 15 1 . . . . . 2.895 1.8 3.99 1 1 16 1 . . . . . 3.325 1.8 4.85 1 1 17 1 . . . . . 2.74 1.8 3.68 1 1 18 1 . . . . . 3.045 1.8 4.29 1 1 19 1 . . . . . 3.65 1.8 5.5 1 1 20 1 . . . . . 3.65 1.8 5.5 1 1 21 1 . . . . . 3.435 1.8 5.07 1 1 22 1 . . . . . 3.435 1.8 5.07 1 1 23 1 . . . . . 3.65 1.8 5.5 1 1 24 1 . . . . . 3.65 1.8 5.5 1 1 25 1 . . . . . 2.415 1.8 3.03 1 1 26 1 . . . . . 2.84 1.8 3.88 1 1 27 1 . . . . . 2.965 1.8 4.13 1 1 28 1 . . . . . 2.505 1.8 3.21 1 1 29 1 . . . . . 3.65 1.8 5.5 1 1 30 1 . . . . . 3.445 1.8 5.09 1 1 31 1 . . . . . 3.65 1.8 5.5 1 1 32 1 . . . . . 2.995 1.8 4.19 1 1 33 1 . . . . . 2.705 1.8 3.61 1 1 34 1 . . . . . 3.425 1.8 5.05 1 1 35 1 . . . . . 3.385 1.8 4.97 1 1 36 1 . . . . . 3.65 1.8 5.5 1 1 37 1 . . . . . 3.65 1.8 5.5 1 1 38 1 . . . . . 3.63 1.8 5.46 1 1 39 1 . . . . . 3.23 1.8 4.66 1 1 40 1 . . . . . 2.295 1.8 2.79 1 1 41 1 . . . . . 2.345 1.8 2.89 1 1 42 1 . . . . . 2.635 1.8 3.47 1 1 43 1 . . . . . 2.62 1.8 3.44 1 1 44 1 . . . . . 3.11 1.8 4.42 1 1 45 1 . . . . . 3.65 1.8 5.5 1 1 46 1 . . . . . 2.63 1.8 3.46 1 1 47 1 . . . . . 2.63 1.8 3.46 1 1 48 1 . . . . . 3.08 1.8 4.36 1 1 49 1 . . . . . 2.575 1.8 3.35 1 1 50 1 . . . . . 2.56 1.8 3.32 1 1 51 1 . . . . . 3.535 1.8 5.27 1 1 52 1 . . . . . 2.95 1.8 4.1 1 1 53 1 . . . . . 3.65 1.8 5.5 1 1 54 1 . . . . . 2.35 1.8 2.9 1 1 55 1 . . . . . 3.65 1.8 5.5 1 1 56 1 . . . . . 3.65 1.8 5.5 1 1 57 1 . . . . . 3.3 1.8 4.8 1 1 58 1 . . . . . 3.3 1.8 4.8 1 1 59 1 . . . . . 2.69 1.8 3.58 1 1 60 1 . . . . . 2.44 1.8 3.08 1 1 61 1 . . . . . 2.595 1.8 3.39 1 1 62 1 . . . . . 3.265 1.8 4.73 1 1 63 1 . . . . . 3.065 1.8 4.33 1 1 64 1 . . . . . 2.61 1.8 3.42 1 1 65 1 . . . . . 2.92 1.8 4.04 1 1 66 1 . . . . . 2.385 1.8 2.97 1 1 67 1 . . . . . 2.405 1.8 3.01 1 1 68 1 . . . . . 3.65 1.8 5.5 1 1 69 1 . . . . . 2.97 1.8 4.14 1 1 70 1 . . . . . 2.85 1.8 3.9 1 1 71 1 . . . . . 2.585 1.8 3.37 1 1 72 1 . . . . . 2.5 1.8 3.2 1 1 73 1 . . . . . 3.65 1.8 5.5 1 1 74 1 . . . . . 3.65 1.8 5.5 1 1 75 1 . . . . . 2.56 1.8 3.32 1 1 76 1 . . . . . 2.8 1.8 3.8 1 1 77 1 . . . . . 2.985 1.8 4.17 1 1 78 1 . . . . . 2.655 1.8 3.51 1 1 79 1 . . . . . 2.345 1.8 2.89 1 1 80 1 . . . . . 2.72 1.8 3.64 1 1 81 1 . . . . . 2.855 1.8 3.91 1 1 82 1 . . . . . 3.345 1.8 4.89 1 1 83 1 . . . . . 3.345 1.8 4.89 1 1 84 1 . . . . . 2.94 1.8 4.08 1 1 85 1 . . . . . 3.06 1.8 4.32 1 1 86 1 . . . . . 3.06 1.8 4.32 1 1 87 1 . . . . . 3.635 1.8 5.47 1 1 88 1 . . . . . 3.635 1.8 5.47 1 1 89 1 . . . . . 3.65 1.8 5.5 1 1 90 1 . . . . . 2.73 1.8 3.66 1 1 91 1 . . . . . 3.045 1.8 4.29 1 1 92 1 . . . . . 2.85 1.8 3.9 1 1 93 1 . . . . . 3.1 1.8 4.4 1 1 94 1 . . . . . 2.84 1.8 3.88 1 1 95 1 . . . . . 2.82 1.8 3.84 1 1 96 1 . . . . . 2.82 1.8 3.84 1 1 97 1 . . . . . 2.72 1.8 3.64 1 1 98 1 . . . . . 3.46 1.8 5.12 1 1 99 1 . . . . . 3.02 1.8 4.24 1 1 100 1 . . . . . 3.305 1.8 4.81 1 1 101 1 . . . . . 3.0 1.8 4.2 1 1 102 1 . . . . . 3.285 1.8 4.77 1 1 103 1 . . . . . 2.515 1.8 3.23 1 1 104 1 . . . . . 2.41 1.8 3.02 1 1 105 1 . . . . . 2.635 1.8 3.47 1 1 106 1 . . . . . 2.515 1.8 3.23 1 1 107 1 . . . . . 2.33 1.8 2.86 1 1 108 1 . . . . . 2.815 1.8 3.83 1 1 109 1 . . . . . 2.89 1.8 3.98 1 1 110 1 . . . . . 3.255 1.8 4.71 1 1 111 1 . . . . . 3.65 1.8 5.5 1 1 112 1 . . . . . 3.65 1.8 5.5 1 1 113 1 . . . . . 3.65 1.8 5.5 1 1 114 1 . . . . . 2.64 1.8 3.48 1 1 115 1 . . . . . 2.395 1.8 2.99 1 1 116 1 . . . . . 3.65 1.8 5.5 1 1 117 1 . . . . . 2.6 1.8 3.4 1 1 118 1 . . . . . 2.85 1.8 3.9 1 1 119 1 . . . . . 3.39 1.8 4.98 1 1 120 1 . . . . . 3.28 1.8 4.76 1 1 121 1 . . . . . 3.28 1.8 4.76 1 1 122 1 . . . . . 2.79 1.8 3.78 1 1 123 1 . . . . . 2.48 1.8 3.16 1 1 124 1 . . . . . 2.98 1.8 4.16 1 1 125 1 . . . . . 3.42 1.8 5.04 1 1 126 1 . . . . . 2.335 1.8 2.87 1 1 127 1 . . . . . 2.605 1.8 3.41 1 1 128 1 . . . . . 2.545 1.8 3.29 1 1 129 1 . . . . . 2.775 1.8 3.75 1 1 130 1 . . . . . 3.46 1.8 5.12 1 1 131 1 . . . . . 3.65 1.8 5.5 1 1 132 1 . . . . . 2.365 1.8 2.93 1 1 133 1 . . . . . 2.66 1.8 3.52 1 1 134 1 . . . . . 3.65 1.8 5.5 1 1 135 1 . . . . . 3.435 1.8 5.07 1 1 136 1 . . . . . 2.66 1.8 3.52 1 1 137 1 . . . . . 2.66 1.8 3.52 1 1 138 1 . . . . . 3.65 1.8 5.5 1 1 139 1 . . . . . 3.135 1.8 4.47 1 1 140 1 . . . . . 3.65 1.8 5.5 1 1 141 1 . . . . . 3.65 1.8 5.5 1 1 142 1 . . . . . 3.65 1.8 5.5 1 1 143 1 . . . . . 3.375 1.8 4.95 1 1 144 1 . . . . . 2.655 1.8 3.51 1 1 145 1 . . . . . 2.84 1.8 3.88 1 1 146 1 . . . . . 2.99 1.8 4.18 1 1 147 1 . . . . . 3.565 1.8 5.33 1 1 148 1 . . . . . 2.94 1.8 4.08 1 1 149 1 . . . . . 3.21 1.8 4.62 1 1 150 1 . . . . . 2.535 1.8 3.27 1 1 151 1 . . . . . 3.65 1.8 5.5 1 1 152 1 . . . . . 3.16 1.8 4.52 1 1 153 1 . . . . . 2.995 1.8 4.19 1 1 154 1 . . . . . 2.845 1.8 3.89 1 1 155 1 . . . . . 3.485 1.8 5.17 1 1 156 1 . . . . . 3.29 1.8 4.78 1 1 157 1 . . . . . 2.85 1.8 3.9 1 1 158 1 . . . . . 3.265 1.8 4.73 1 1 159 1 . . . . . 2.99 1.8 4.18 1 1 160 1 . . . . . 3.315 1.8 4.83 1 1 161 1 . . . . . 3.295 1.8 4.79 1 1 162 1 . . . . . 3.65 1.8 5.5 1 1 163 1 . . . . . 2.515 1.8 3.23 1 1 164 1 . . . . . 3.435 1.8 5.07 1 1 165 1 . . . . . 3.255 1.8 4.71 1 1 166 1 . . . . . 3.4 1.8 5.0 1 1 167 1 . . . . . 3.44 1.8 5.08 1 1 168 1 . . . . . 3.65 1.8 5.5 1 1 169 1 . . . . . 3.38 1.8 4.96 1 1 170 1 . . . . . 2.415 1.8 3.03 1 1 171 1 . . . . . 3.005 1.8 4.21 1 1 172 1 . . . . . 3.65 1.8 5.5 1 1 173 1 . . . . . 2.285 1.8 2.77 1 1 174 1 . . . . . 3.5 1.8 5.2 1 1 175 1 . . . . . 2.715 1.8 3.63 1 1 176 1 . . . . . 3.375 1.8 4.95 1 1 177 1 . . . . . 3.55 1.8 5.3 1 1 178 1 . . . . . 3.225 1.8 4.65 1 1 179 1 . . . . . 2.775 1.8 3.75 1 1 180 1 . . . . . 3.51 1.8 5.22 1 1 181 1 . . . . . 3.29 1.8 4.78 1 1 182 1 . . . . . 3.36 1.8 4.92 1 1 183 1 . . . . . 3.65 1.8 5.5 1 1 184 1 . . . . . 2.475 1.8 3.15 1 1 185 1 . . . . . 2.465 1.8 3.13 1 1 186 1 . . . . . 2.59 1.8 3.38 1 1 187 1 . . . . . 3.65 1.8 5.5 1 1 188 1 . . . . . 2.835 1.8 3.87 1 1 189 1 . . . . . 2.95 1.8 4.1 1 1 190 1 . . . . . 2.695 1.8 3.59 1 1 191 1 . . . . . 2.895 1.8 3.99 1 1 192 1 . . . . . 2.69 1.8 3.58 1 1 193 1 . . . . . 2.76 1.8 3.72 1 1 194 1 . . . . . 3.005 1.8 4.21 1 1 195 1 . . . . . 3.63 1.8 5.46 1 1 196 1 . . . . . 2.795 1.8 3.79 1 1 197 1 . . . . . 3.045 1.8 4.29 1 1 198 1 . . . . . 3.025 1.8 4.25 1 1 199 1 . . . . . 3.255 1.8 4.71 1 1 200 1 . . . . . 3.65 1.8 5.5 1 1 201 1 . . . . . 3.005 1.8 4.21 1 1 202 1 . . . . . 3.005 1.8 4.21 1 1 203 1 . . . . . 3.01 1.8 4.22 1 1 204 1 . . . . . 2.795 1.8 3.79 1 1 205 1 . . . . . 3.65 1.8 5.5 1 1 206 1 . . . . . 2.61 1.8 3.42 1 1 207 1 . . . . . 2.385 1.8 2.97 1 1 208 1 . . . . . 3.65 1.8 5.5 1 1 209 1 . . . . . 2.655 1.8 3.51 1 1 210 1 . . . . . 3.365 1.8 4.93 1 1 211 1 . . . . . 3.165 1.8 4.53 1 1 212 1 . . . . . 3.165 1.8 4.53 1 1 213 1 . . . . . 3.355 1.8 4.91 1 1 214 1 . . . . . 3.65 1.8 5.5 1 1 215 1 . . . . . 3.015 1.8 4.23 1 1 216 1 . . . . . 3.605 1.8 5.41 1 1 217 1 . . . . . 2.78 1.8 3.76 1 1 218 1 . . . . . 2.53 1.8 3.26 1 1 219 1 . . . . . 3.36 1.8 4.92 1 1 220 1 . . . . . 3.3 1.8 4.8 1 1 221 1 . . . . . 3.395 1.8 4.99 1 1 222 1 . . . . . 3.36 1.8 4.92 1 1 223 1 . . . . . 3.255 1.8 4.71 1 1 224 1 . . . . . 2.565 1.8 3.33 1 1 225 1 . . . . . 3.195 1.8 4.59 1 1 226 1 . . . . . 3.035 1.8 4.27 1 1 227 1 . . . . . 3.24 1.8 4.68 1 1 228 1 . . . . . 3.24 1.8 4.68 1 1 229 1 . . . . . 3.01 1.8 4.22 1 1 230 1 . . . . . 3.15 1.8 4.5 1 1 231 1 . . . . . 3.31 1.8 4.82 1 1 232 1 . . . . . 2.88 1.8 3.96 1 1 233 1 . . . . . 3.025 1.8 4.25 1 1 234 1 . . . . . 2.685 1.8 3.57 1 1 235 1 . . . . . 3.56 1.8 5.32 1 1 236 1 . . . . . 3.37 1.8 4.94 1 1 237 1 . . . . . 3.455 1.8 5.11 1 1 238 1 . . . . . 2.63 1.8 3.46 1 1 239 1 . . . . . 2.96 1.8 4.12 1 1 240 1 . . . . . 3.365 1.8 4.93 1 1 241 1 . . . . . 3.65 1.8 5.5 1 1 242 1 . . . . . 2.52 1.8 3.24 1 1 243 1 . . . . . 3.51 1.8 5.22 1 1 244 1 . . . . . 3.395 1.8 4.99 1 1 245 1 . . . . . 3.2 1.8 4.6 1 1 246 1 . . . . . 3.65 1.8 5.5 1 1 247 1 . . . . . 3.08 1.8 4.36 1 1 248 1 . . . . . 3.125 1.8 4.45 1 1 249 1 . . . . . 3.53 1.8 5.26 1 1 250 1 . . . . . 2.88 1.8 3.96 1 1 251 1 . . . . . 3.15 1.8 4.5 1 1 252 1 . . . . . 3.295 1.8 4.79 1 1 253 1 . . . . . 3.65 1.8 5.5 1 1 254 1 . . . . . 3.315 1.8 4.83 1 1 255 1 . . . . . 3.365 1.8 4.93 1 1 256 1 . . . . . 2.865 1.8 3.93 1 1 257 1 . . . . . 3.555 1.8 5.31 1 1 258 1 . . . . . 3.18 1.8 4.56 1 1 259 1 . . . . . 3.65 1.8 5.5 1 1 260 1 . . . . . 3.315 1.8 4.83 1 1 261 1 . . . . . 2.58 1.8 3.36 1 1 262 1 . . . . . 3.105 1.8 4.41 1 1 263 1 . . . . . 3.25 1.8 4.7 1 1 264 1 . . . . . 3.22 1.8 4.64 1 1 265 1 . . . . . 3.2 1.8 4.6 1 1 266 1 . . . . . 2.605 1.8 3.41 1 1 267 1 . . . . . 2.84 1.8 3.88 1 1 268 1 . . . . . 2.84 1.8 3.88 1 1 269 1 . . . . . 3.625 1.8 5.45 1 1 270 1 . . . . . 3.315 1.8 4.83 1 1 271 1 . . . . . 3.65 1.8 5.5 1 1 272 1 . . . . . 3.315 1.8 4.83 1 1 273 1 . . . . . 3.385 1.8 4.97 1 1 274 1 . . . . . 3.435 1.8 5.07 1 1 275 1 . . . . . 3.65 1.8 5.5 1 1 276 1 . . . . . 3.405 1.8 5.01 1 1 277 1 . . . . . 3.65 1.8 5.5 1 1 278 1 . . . . . 3.205 1.8 4.61 1 1 279 1 . . . . . 3.6 1.8 5.4 1 1 280 1 . . . . . 3.075 1.8 4.35 1 1 281 1 . . . . . 3.235 1.8 4.67 1 1 282 1 . . . . . 3.5 1.8 5.2 1 1 283 1 . . . . . 2.945 1.8 4.09 1 1 284 1 . . . . . 3.65 1.8 5.5 1 1 285 1 . . . . . 3.65 1.8 5.5 1 1 286 1 . . . . . 2.985 1.8 4.17 1 1 287 1 . . . . . 3.145 1.8 4.49 1 1 288 1 . . . . . 3.425 1.8 5.05 1 1 289 1 . . . . . 2.84 1.8 3.88 1 1 290 1 . . . . . 3.35 1.8 4.9 1 1 291 1 . . . . . 3.195 1.8 4.59 1 1 292 1 . . . . . 3.375 1.8 4.95 1 1 293 1 . . . . . 3.005 1.8 4.21 1 1 294 1 . . . . . 3.27 1.8 4.74 1 1 295 1 . . . . . 3.255 1.8 4.71 1 1 296 1 . . . . . 3.37 1.8 4.94 1 1 297 1 . . . . . 3.39 1.8 4.98 1 1 298 1 . . . . . 3.455 1.8 5.11 1 1 299 1 . . . . . 3.65 1.8 5.5 1 1 300 1 . . . . . 2.545 1.8 3.29 1 1 301 1 . . . . . 3.32 1.8 4.84 1 1 302 1 . . . . . 3.65 1.8 5.5 1 1 303 1 . . . . . 3.65 1.8 5.5 1 1 304 1 . . . . . 3.65 1.8 5.5 1 1 305 1 . . . . . 3.65 1.8 5.5 1 1 306 1 . . . . . 3.54 1.8 5.28 1 1 307 1 . . . . . 3.65 1.8 5.5 1 1 308 1 . . . . . 3.65 1.8 5.5 1 1 309 1 . . . . . 3.65 1.8 5.5 1 1 310 1 . . . . . 3.065 1.8 4.33 1 1 311 1 . . . . . 3.65 1.8 5.5 1 1 312 1 . . . . . 2.94 1.8 4.08 1 1 313 1 . . . . . 3.65 1.8 5.5 1 1 314 1 . . . . . 3.375 1.8 4.95 1 1 315 1 . . . . . 2.49 1.8 3.18 1 1 316 1 . . . . . 2.6 1.8 3.4 1 1 317 1 . . . . . 3.2 1.8 4.6 1 1 318 1 . . . . . 3.65 1.8 5.5 1 1 319 1 . . . . . 3.63 1.8 5.46 1 1 320 1 . . . . . 3.225 1.8 4.65 1 1 321 1 . . . . . 3.65 1.8 5.5 1 1 322 1 . . . . . 3.65 1.8 5.5 1 1 323 1 . . . . . 3.165 1.8 4.53 1 1 324 1 . . . . . 3.625 1.8 5.45 1 1 325 1 . . . . . 3.05 1.8 4.3 1 1 326 1 . . . . . 2.955 1.8 4.11 1 1 327 1 . . . . . 2.955 1.8 4.11 1 1 328 1 . . . . . 3.65 1.8 5.5 1 1 329 1 . . . . . 3.65 1.8 5.5 1 1 330 1 . . . . . 3.5 1.8 5.2 1 1 331 1 . . . . . 2.825 1.8 3.85 1 1 332 1 . . . . . 3.65 1.8 5.5 1 1 333 1 . . . . . 3.65 1.8 5.5 1 1 334 1 . . . . . 3.65 1.8 5.5 1 1 335 1 . . . . . 3.455 1.8 5.11 1 1 336 1 . . . . . 3.455 1.8 5.11 1 1 337 1 . . . . . 3.65 1.8 5.5 1 1 338 1 . . . . . 3.285 1.8 4.77 1 1 339 1 . . . . . 2.75 1.8 3.7 1 1 340 1 . . . . . 2.96 1.8 4.12 1 1 341 1 . . . . . 2.93 1.8 4.06 1 1 342 1 . . . . . 3.5 1.8 5.2 1 1 343 1 . . . . . 3.65 1.8 5.5 1 1 344 1 . . . . . 2.805 1.8 3.81 1 1 345 1 . . . . . 3.65 1.8 5.5 1 1 346 1 . . . . . 2.79 1.8 3.78 1 1 347 1 . . . . . 3.13 1.8 4.46 1 1 348 1 . . . . . 2.76 1.8 3.72 1 1 349 1 . . . . . 3.635 1.8 5.47 1 1 350 1 . . . . . 3.445 1.8 5.09 1 1 351 1 . . . . . 3.445 1.8 5.09 1 1 352 1 . . . . . 3.65 1.8 5.5 1 1 353 1 . . . . . 2.74 1.8 3.68 1 1 354 1 . . . . . 2.945 1.8 4.09 1 1 355 1 . . . . . 2.93 1.8 4.06 1 1 356 1 . . . . . 3.29 1.8 4.78 1 1 357 1 . . . . . 3.41 1.8 5.02 1 1 358 1 . . . . . 3.105 1.8 4.41 1 1 359 1 . . . . . 2.255 1.8 2.71 1 1 360 1 . . . . . 2.99 1.8 4.18 1 1 361 1 . . . . . 2.925 1.8 4.05 1 1 362 1 . . . . . 2.925 1.8 4.05 1 1 363 1 . . . . . 2.925 1.8 4.05 1 1 364 1 . . . . . 3.155 1.8 4.51 1 1 365 1 . . . . . 3.305 1.8 4.81 1 1 366 1 . . . . . 3.3 1.8 4.8 1 1 367 1 . . . . . 3.305 1.8 4.81 1 1 368 1 . . . . . 3.3 1.8 4.8 1 1 369 1 . . . . . 3.245 1.8 4.69 1 1 370 1 . . . . . 3.245 1.8 4.69 1 1 371 1 . . . . . 3.65 1.8 5.5 1 1 372 1 . . . . . 3.17 1.8 4.54 1 1 373 1 . . . . . 3.65 1.8 5.5 1 1 374 1 . . . . . 2.735 1.8 3.67 1 1 375 1 . . . . . 2.965 1.8 4.13 1 1 376 1 . . . . . 3.65 1.8 5.5 1 1 377 1 . . . . . 3.6 1.8 5.4 1 1 378 1 . . . . . 2.86 1.8 3.92 1 1 379 1 . . . . . 2.82 1.8 3.84 1 1 380 1 . . . . . 2.97 1.8 4.14 1 1 381 1 . . . . . 3.65 1.8 5.5 1 1 382 1 . . . . . 3.39 1.8 4.98 1 1 383 1 . . . . . 3.255 1.8 4.71 1 1 384 1 . . . . . 2.96 1.8 4.12 1 1 385 1 . . . . . 3.555 1.8 5.31 1 1 386 1 . . . . . 3.225 1.8 4.65 1 1 387 1 . . . . . 3.465 1.8 5.13 1 1 388 1 . . . . . 3.28 1.8 4.76 1 1 389 1 . . . . . 3.65 1.8 5.5 1 1 390 1 . . . . . 3.27 1.8 4.74 1 1 391 1 . . . . . 3.25 1.8 4.7 1 1 392 1 . . . . . 3.65 1.8 5.5 1 1 393 1 . . . . . 3.6 1.8 5.4 1 1 394 1 . . . . . 3.65 1.8 5.5 1 1 395 1 . . . . . 3.65 1.8 5.5 1 1 396 1 . . . . . 3.65 1.8 5.5 1 1 397 1 . . . . . 3.65 1.8 5.5 1 1 398 1 . . . . . 3.65 1.8 5.5 1 1 399 1 . . . . . 3.56 1.8 5.32 1 1 400 1 . . . . . 2.96 1.8 4.12 1 1 401 1 . . . . . 3.65 1.8 5.5 1 1 402 1 . . . . . 3.65 1.8 5.5 1 1 403 1 . . . . . 3.65 1.8 5.5 1 1 404 1 . . . . . 2.715 1.8 3.63 1 1 405 1 . . . . . 3.57 1.8 5.34 1 1 406 1 . . . . . 2.89 1.8 3.98 1 1 407 1 . . . . . 2.91 1.8 4.02 1 1 408 1 . . . . . 3.065 1.8 4.33 1 1 409 1 . . . . . 3.005 1.8 4.21 1 1 410 1 . . . . . 3.57 1.8 5.34 1 1 411 1 . . . . . 3.2 1.8 4.6 1 1 412 1 . . . . . 3.62 1.8 5.44 1 1 413 1 . . . . . 2.72 1.8 3.64 1 1 414 1 . . . . . 2.655 1.8 3.51 1 1 415 1 . . . . . 3.065 1.8 4.33 1 1 416 1 . . . . . 2.935 1.8 4.07 1 1 417 1 . . . . . 2.69 1.8 3.58 1 1 418 1 . . . . . 2.915 1.8 4.03 1 1 419 1 . . . . . 3.115 1.8 4.43 1 1 420 1 . . . . . 3.295 1.8 4.79 1 1 421 1 . . . . . 2.94 1.8 4.08 1 1 422 1 . . . . . 2.86 1.8 3.92 1 1 423 1 . . . . . 3.28 1.8 4.76 1 1 424 1 . . . . . 3.1 1.8 4.4 1 1 425 1 . . . . . 3.57 1.8 5.34 1 1 426 1 . . . . . 3.57 1.8 5.34 1 1 427 1 . . . . . 3.57 1.8 5.34 1 1 428 1 . . . . . 3.225 1.8 4.65 1 1 429 1 . . . . . 2.395 1.8 2.99 1 1 430 1 . . . . . 3.57 1.8 5.34 1 1 431 1 . . . . . 3.57 1.8 5.34 1 1 432 1 . . . . . 3.06 1.8 4.32 1 1 433 1 . . . . . 2.73 1.8 3.66 1 1 434 1 . . . . . 2.53 1.8 3.26 1 1 435 1 . . . . . 3.28 1.8 4.76 1 1 436 1 . . . . . 3.09 1.8 4.38 1 1 437 1 . . . . . 2.44 1.8 3.08 1 1 438 1 . . . . . 3.05 1.8 4.3 1 1 439 1 . . . . . 2.815 1.8 3.83 1 1 440 1 . . . . . 3.335 1.8 4.87 1 1 441 1 . . . . . 2.66 1.8 3.52 1 1 442 1 . . . . . 3.57 1.8 5.34 1 1 443 1 . . . . . 3.29 1.8 4.78 1 1 444 1 . . . . . 3.225 1.8 4.65 1 1 445 1 . . . . . 2.61 1.8 3.42 1 1 446 1 . . . . . 3.035 1.8 4.27 1 1 447 1 . . . . . 2.685 1.8 3.57 1 1 448 1 . . . . . 2.065 1.8 2.33 1 1 449 1 . . . . . 2.75 1.8 3.7 1 1 450 1 . . . . . 3.46 1.8 5.12 1 1 451 1 . . . . . 3.24 1.8 4.68 1 1 452 1 . . . . . 3.62 1.8 5.44 1 1 453 1 . . . . . 3.35 1.8 4.9 1 1 454 1 . . . . . 2.645 1.8 3.49 1 1 455 1 . . . . . 3.38 1.8 4.96 1 1 456 1 . . . . . 2.62 1.8 3.44 1 1 457 1 . . . . . 2.995 1.8 4.19 1 1 458 1 . . . . . 3.62 1.8 5.44 1 1 459 1 . . . . . 2.74 1.8 3.68 1 1 460 1 . . . . . 2.88 1.8 3.96 1 1 461 1 . . . . . 2.975 1.8 4.15 1 1 462 1 . . . . . 3.04 1.8 4.28 1 1 463 1 . . . . . 2.9 1.8 4.0 1 1 464 1 . . . . . 3.015 1.8 4.23 1 1 465 1 . . . . . 3.215 1.8 4.63 1 1 466 1 . . . . . 3.145 1.8 4.49 1 1 467 1 . . . . . 3.62 1.8 5.44 1 1 468 1 . . . . . 3.04 1.8 4.28 1 1 469 1 . . . . . 3.28 1.8 4.76 1 1 470 1 . . . . . 3.525 1.8 5.25 1 1 471 1 . . . . . 2.68 1.8 3.56 1 1 472 1 . . . . . 3.075 1.8 4.35 1 1 473 1 . . . . . 3.52 1.8 5.24 1 1 474 1 . . . . . 3.165 1.8 4.53 1 1 475 1 . . . . . 2.39 1.8 2.98 1 1 476 1 . . . . . 3.57 1.8 5.34 1 1 477 1 . . . . . 3.57 1.8 5.34 1 1 478 1 . . . . . 3.025 1.8 4.25 1 1 479 1 . . . . . 3.57 1.8 5.34 1 1 480 1 . . . . . 2.84 1.8 3.88 1 1 481 1 . . . . . 3.57 1.8 5.34 1 1 482 1 . . . . . 3.28 1.8 4.76 1 1 483 1 . . . . . 3.04 1.8 4.28 1 1 484 1 . . . . . 2.58 1.8 3.36 1 1 485 1 . . . . . 4.5 4.5 34.5 1 1 486 1 . . . . . 4.5 4.5 34.5 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 17 1 . . . 1 2 18 1 . . . 1 2 19 1 . . . 1 2 20 1 . . . 1 2 21 1 . . . 1 2 22 1 . . . 1 2 23 1 . . . 1 2 24 1 . . . 1 2 25 1 . . . 1 2 26 1 . . . 1 2 27 1 . . . 1 2 28 1 . . . 1 2 29 1 . . . 1 2 30 1 . . . 1 2 31 1 . . . 1 2 32 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 3 ARG H . 3 . HN 1 2 1 1 2 1 1 14 ASP O . 14 . O 1 2 2 1 1 1 1 3 ARG N . 3 . N 1 2 2 1 2 1 1 14 ASP O . 14 . O 1 2 3 1 1 1 1 6 PHE H . 6 . HN 1 2 3 1 2 1 1 28 CYS O . 28 . O 1 2 4 1 1 1 1 6 PHE N . 6 . N 1 2 4 1 2 1 1 28 CYS O . 28 . O 1 2 5 1 1 1 1 4 TYR O . 4 . O 1 2 5 1 2 1 1 7 GLY H . 7 . HN 1 2 6 1 1 1 1 4 TYR O . 4 . O 1 2 6 1 2 1 1 7 GLY N . 7 . N 1 2 7 1 1 1 1 9 CYS H . 9 . HN 1 2 7 1 2 1 1 26 LYS O . 26 . O 1 2 8 1 1 1 1 9 CYS N . 9 . N 1 2 8 1 2 1 1 26 LYS O . 26 . O 1 2 9 1 1 1 1 10 GLU H . 10 . HN 1 2 9 1 2 1 1 14 ASP OD1 . 14 . OD1 1 2 9 1 2 1 1 14 ASP OD2 . 14 . OD2 1 2 10 1 1 1 1 10 GLU N . 10 . N 1 2 10 1 2 1 1 14 ASP OD1 . 14 . OD1 1 2 10 1 2 1 1 14 ASP OD2 . 14 . OD2 1 2 11 1 1 1 1 11 LYS H . 11 . HN 1 2 11 1 2 1 1 14 ASP OD1 . 14 . OD1 1 2 11 1 2 1 1 14 ASP OD2 . 14 . OD2 1 2 12 1 1 1 1 11 LYS N . 11 . N 1 2 12 1 2 1 1 14 ASP OD1 . 14 . OD1 1 2 12 1 2 1 1 14 ASP OD2 . 14 . OD2 1 2 13 1 1 1 1 11 LYS O . 11 . O 1 2 13 1 2 1 1 14 ASP H . 14 . HN 1 2 14 1 1 1 1 11 LYS O . 11 . O 1 2 14 1 2 1 1 14 ASP N . 14 . N 1 2 15 1 1 1 1 12 ASP O . 12 . O 1 2 15 1 2 1 1 15 CYS H . 15 . HN 1 2 16 1 1 1 1 12 ASP O . 12 . O 1 2 16 1 2 1 1 15 CYS N . 15 . N 1 2 17 1 1 1 1 3 ARG O . 3 . O 1 2 17 1 2 1 1 16 CYS H . 16 . HN 1 2 18 1 1 1 1 3 ARG O . 3 . O 1 2 18 1 2 1 1 16 CYS N . 16 . N 1 2 19 1 1 1 1 16 CYS O . 16 . O 1 2 19 1 2 1 1 19 LEU H . 19 . HN 1 2 20 1 1 1 1 16 CYS O . 16 . O 1 2 20 1 2 1 1 19 LEU N . 19 . N 1 2 21 1 1 1 1 20 GLY H . 20 . HN 1 2 21 1 2 1 1 29 ALA O . 29 . O 1 2 22 1 1 1 1 20 GLY N . 20 . N 1 2 22 1 2 1 1 29 ALA O . 29 . O 1 2 23 1 1 1 1 12 ASP OD1 . 12 . OD1 1 2 23 1 1 1 1 12 ASP OD2 . 12 . OD2 1 2 23 1 2 1 1 21 CYS H . 21 . HN 1 2 24 1 1 1 1 12 ASP OD1 . 12 . OD1 1 2 24 1 1 1 1 12 ASP OD2 . 12 . OD2 1 2 24 1 2 1 1 21 CYS N . 21 . N 1 2 25 1 1 1 1 22 LYS H . 22 . HN 1 2 25 1 2 1 1 27 TYR O . 27 . O 1 2 26 1 1 1 1 22 LYS N . 22 . N 1 2 26 1 2 1 1 27 TYR O . 27 . O 1 2 27 1 1 1 1 22 LYS O . 22 . O 1 2 27 1 2 1 1 27 TYR H . 27 . HN 1 2 28 1 1 1 1 22 LYS O . 22 . O 1 2 28 1 2 1 1 27 TYR N . 27 . N 1 2 29 1 1 1 1 22 LYS O . 22 . O 1 2 29 1 2 1 1 25 MET H . 25 . HN 1 2 30 1 1 1 1 22 LYS O . 22 . O 1 2 30 1 2 1 1 25 MET N . 25 . N 1 2 31 1 1 1 1 20 GLY O . 20 . O 1 2 31 1 2 1 1 29 ALA H . 29 . HN 1 2 32 1 1 1 1 20 GLY O . 20 . O 1 2 32 1 2 1 1 29 ALA N . 29 . N 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.3 0.0 2.3 1 2 2 1 . . . . . 3.3 0.0 3.3 1 2 3 1 . . . . . 2.3 0.0 2.3 1 2 4 1 . . . . . 3.3 0.0 3.3 1 2 5 1 . . . . . 2.3 0.0 2.3 1 2 6 1 . . . . . 3.3 0.0 3.3 1 2 7 1 . . . . . 2.3 0.0 2.3 1 2 8 1 . . . . . 3.3 0.0 3.3 1 2 9 1 . . . . . 2.3 0.0 2.3 1 2 10 1 . . . . . 3.3 0.0 3.3 1 2 11 1 . . . . . 2.3 0.0 2.3 1 2 12 1 . . . . . 3.3 0.0 3.3 1 2 13 1 . . . . . 2.3 0.0 2.3 1 2 14 1 . . . . . 3.3 0.0 3.3 1 2 15 1 . . . . . 2.3 0.0 2.3 1 2 16 1 . . . . . 3.3 0.0 3.3 1 2 17 1 . . . . . 2.3 0.0 2.3 1 2 18 1 . . . . . 3.3 0.0 3.3 1 2 19 1 . . . . . 2.3 0.0 2.3 1 2 20 1 . . . . . 3.3 0.0 3.3 1 2 21 1 . . . . . 2.3 0.0 2.3 1 2 22 1 . . . . . 3.3 0.0 3.3 1 2 23 1 . . . . . 2.3 0.0 2.3 1 2 24 1 . . . . . 3.3 0.0 3.3 1 2 25 1 . . . . . 2.3 0.0 2.3 1 2 26 1 . . . . . 3.3 0.0 3.3 1 2 27 1 . . . . . 2.3 0.0 2.3 1 2 28 1 . . . . . 3.3 0.0 3.3 1 2 29 1 . . . . . 2.3 0.0 2.3 1 2 30 1 . . . . . 3.3 0.0 3.3 1 2 31 1 . . . . . 2.3 0.0 2.3 1 2 32 1 . . . . . 3.3 0.0 3.3 1 2 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 3 ARG C 1 1 4 TYR N 1 1 4 TYR CA 1 1 4 TYR C -119.4 -46.6 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 2 . 1 1 4 TYR C 1 1 5 MET N 1 1 5 MET CA 1 1 5 MET C -84.4 -44.4 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 3 . 1 1 8 ASP C 1 1 9 CYS N 1 1 9 CYS CA 1 1 9 CYS C -156.4 -111.8 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 4 . 1 1 9 CYS N 1 1 9 CYS CA 1 1 9 CYS C 1 1 10 GLU N 136.1 176.1 . 9 . N . 9 . CA . 9 . C . 10 . N 1 1 5 . 1 1 10 GLU C 1 1 11 LYS N 1 1 11 LYS CA 1 1 11 LYS C -171.7 -98.9 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 6 . 1 1 11 LYS N 1 1 11 LYS CA 1 1 11 LYS C 1 1 12 ASP N 129.2 177.2 . 11 . N . 11 . CA . 11 . C . 12 . N 1 1 7 . 1 1 11 LYS C 1 1 12 ASP N 1 1 12 ASP CA 1 1 12 ASP C -78.1 -38.1 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1 8 . 1 1 12 ASP N 1 1 12 ASP CA 1 1 12 ASP C 1 1 13 GLU N -56.4 -16.4 . 12 . N . 12 . CA . 12 . C . 13 . N 1 1 9 . 1 1 12 ASP C 1 1 13 GLU N 1 1 13 GLU CA 1 1 13 GLU C -87.1 -47.1 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 10 . 1 1 13 GLU N 1 1 13 GLU CA 1 1 13 GLU C 1 1 14 ASP N -42.3 -2.2999997 . 13 . N . 13 . CA . 13 . C . 14 . N 1 1 11 . 1 1 13 GLU C 1 1 14 ASP N 1 1 14 ASP CA 1 1 14 ASP C -103.3 -63.3 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 12 . 1 1 14 ASP N 1 1 14 ASP CA 1 1 14 ASP C 1 1 15 CYS N -31.9 8.099999 . 14 . N . 14 . CA . 14 . C . 15 . N 1 1 13 . 1 1 15 CYS C 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS C -101.6 -41.6 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1 14 . 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS C 1 1 17 LYS N 118.299995 178.3 . 16 . N . 16 . CA . 16 . C . 17 . N 1 1 15 . 1 1 16 CYS C 1 1 17 LYS N 1 1 17 LYS CA 1 1 17 LYS C -92.7 -32.7 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1 16 . 1 1 17 LYS N 1 1 17 LYS CA 1 1 17 LYS C 1 1 18 HIS N -61.199997 -1.2 . 17 . N . 17 . CA . 17 . C . 18 . N 1 1 17 . 1 1 17 LYS C 1 1 18 HIS N 1 1 18 HIS CA 1 1 18 HIS C -115.19999 -31.399998 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1 18 . 1 1 18 HIS N 1 1 18 HIS CA 1 1 18 HIS C 1 1 19 LEU N -69.3 37.3 . 18 . N . 18 . CA . 18 . C . 19 . N 1 1 19 . 1 1 18 HIS C 1 1 19 LEU N 1 1 19 LEU CA 1 1 19 LEU C -172.8 -36.2 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1 20 . 1 1 19 LEU N 1 1 19 LEU CA 1 1 19 LEU C 1 1 20 GLY N 74.4 201.6 . 19 . N . 19 . CA . 19 . C . 20 . N 1 1 21 . 1 1 20 GLY C 1 1 21 CYS N 1 1 21 CYS CA 1 1 21 CYS C -107.6 -67.6 . 20 . C . 21 . N . 21 . CA . 21 . C 1 1 22 . 1 1 21 CYS N 1 1 21 CYS CA 1 1 21 CYS C 1 1 22 LYS N 101.9 141.9 . 21 . N . 21 . CA . 21 . C . 22 . N 1 1 23 . 1 1 21 CYS C 1 1 22 LYS N 1 1 22 LYS CA 1 1 22 LYS C -109.5 -54.299995 . 21 . C . 22 . N . 22 . CA . 22 . C 1 1 24 . 1 1 22 LYS N 1 1 22 LYS CA 1 1 22 LYS C 1 1 23 ARG N -190.4 429.6 . 22 . N . 22 . CA . 22 . C . 23 . N 1 1 25 . 1 1 23 ARG C 1 1 24 LYS N 1 1 24 LYS CA 1 1 24 LYS C -88.7 -48.7 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1 26 . 1 1 24 LYS N 1 1 24 LYS CA 1 1 24 LYS C 1 1 25 MET N -59.2 -19.2 . 24 . N . 24 . CA . 24 . C . 25 . N 1 1 27 . 1 1 24 LYS C 1 1 25 MET N 1 1 25 MET CA 1 1 25 MET C -111.5 -71.5 . 24 . C . 25 . N . 25 . CA . 25 . C 1 1 28 . 1 1 25 MET N 1 1 25 MET CA 1 1 25 MET C 1 1 26 LYS N -29.9 10.1 . 25 . N . 25 . CA . 25 . C . 26 . N 1 1 29 . 1 1 25 MET C 1 1 26 LYS N 1 1 26 LYS CA 1 1 26 LYS C 36.1 76.1 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1 30 . 1 1 26 LYS N 1 1 26 LYS CA 1 1 26 LYS C 1 1 27 TYR N 26.7 66.7 . 26 . N . 26 . CA . 26 . C . 27 . N 1 1 31 . 1 1 26 LYS C 1 1 27 TYR N 1 1 27 TYR CA 1 1 27 TYR C -162.5 -97.5 . 26 . C . 27 . N . 27 . CA . 27 . C 1 1 32 . 1 1 27 TYR N 1 1 27 TYR CA 1 1 27 TYR C 1 1 28 CYS N 132.5 176.3 . 27 . N . 27 . CA . 27 . C . 28 . N 1 1 33 . 1 1 27 TYR C 1 1 28 CYS N 1 1 28 CYS CA 1 1 28 CYS C -102.59999 -42.6 . 27 . C . 28 . N . 28 . CA . 28 . C 1 1 34 . 1 1 28 CYS N 1 1 28 CYS CA 1 1 28 CYS C 1 1 29 ALA N 105.7 164.9 . 28 . N . 28 . CA . 28 . C . 29 . N 1 1 35 . 1 1 28 CYS C 1 1 29 ALA N 1 1 29 ALA CA 1 1 29 ALA C -138.7 -23.7 . 28 . C . 29 . N . 29 . CA . 29 . C 1 1 36 . 1 1 29 ALA C 1 1 30 TRP N 1 1 30 TRP CA 1 1 30 TRP C -101.7 -56.3 . 29 . C . 30 . N . 30 . CA . 30 . C 1 1 37 . 1 1 1 ASP C 1 1 2 CYS N 1 1 2 CYS CA 1 1 2 CYS C -179.99998 -20.0 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1 38 . 1 1 7 GLY C 1 1 8 ASP N 1 1 8 ASP CA 1 1 8 ASP C -179.99998 -20.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 39 . 1 1 30 TRP C 1 1 31 ASP N 1 1 31 ASP CA 1 1 31 ASP C -179.99998 -20.0 . 30 . C . 31 . N . 31 . CA . 31 . C 1 1 40 . 1 1 31 ASP C 1 1 32 PHE N 1 1 32 PHE CA 1 1 32 PHE C -179.99998 -20.0 . 31 . C . 32 . N . 32 . CA . 32 . C 1 1 41 . 1 1 32 PHE C 1 1 33 THR N 1 1 33 THR CA 1 1 33 THR C -179.99998 -20.0 . 32 . C . 33 . N . 33 . CA . 33 . C 1 1 42 . 1 1 33 THR C 1 1 34 PHE N 1 1 34 PHE CA 1 1 34 PHE C -179.99998 -20.0 . 33 . C . 34 . N . 34 . CA . 34 . C 1 1 43 . 1 1 34 PHE C 1 1 35 THR N 1 1 35 THR CA 1 1 35 THR C -179.99998 -20.0 . 34 . C . 35 . N . 35 . CA . 35 . C 1 1 44 . 1 1 2 CYS N 1 1 2 CYS CA 1 1 2 CYS CB 1 1 2 CYS SG 30.0 89.99999 . 2 . N . 2 . CA . 2 . CB . 2 . SG 1 1 45 . 1 1 4 TYR N 1 1 4 TYR CA 1 1 4 TYR CB 1 1 4 TYR CG -89.99999 -30.0 . 4 . N . 4 . CA . 4 . CB . 4 . CG 1 1 46 . 1 1 5 MET N 1 1 5 MET CA 1 1 5 MET CB 1 1 5 MET CG -210.0 -150.0 . 5 . N . 5 . CA . 5 . CB . 5 . CG 1 1 47 . 1 1 6 PHE N 1 1 6 PHE CA 1 1 6 PHE CB 1 1 6 PHE CG -89.99999 -30.0 . 6 . N . 6 . CA . 6 . CB . 6 . CG 1 1 48 . 1 1 8 ASP N 1 1 8 ASP CA 1 1 8 ASP CB 1 1 8 ASP CG -210.0 -150.0 . 8 . N . 8 . CA . 8 . CB . 8 . CG 1 1 49 . 1 1 10 GLU N 1 1 10 GLU CA 1 1 10 GLU CB 1 1 10 GLU CG -89.99999 -30.0 . 10 . N . 10 . CA . 10 . CB . 10 . CG 1 1 50 . 1 1 12 ASP N 1 1 12 ASP CA 1 1 12 ASP CB 1 1 12 ASP CG -89.99999 -30.0 . 12 . N . 12 . CA . 12 . CB . 12 . CG 1 1 51 . 1 1 14 ASP N 1 1 14 ASP CA 1 1 14 ASP CB 1 1 14 ASP CG -89.99999 -30.0 . 14 . N . 14 . CA . 14 . CB . 14 . CG 1 1 52 . 1 1 15 CYS N 1 1 15 CYS CA 1 1 15 CYS CB 1 1 15 CYS SG -89.99999 -30.0 . 15 . N . 15 . CA . 15 . CB . 15 . SG 1 1 53 . 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS CB 1 1 16 CYS SG -89.99999 -30.0 . 16 . N . 16 . CA . 16 . CB . 16 . SG 1 1 54 . 1 1 17 LYS N 1 1 17 LYS CA 1 1 17 LYS CB 1 1 17 LYS CG -89.99999 -30.0 . 17 . N . 17 . CA . 17 . CB . 17 . CG 1 1 55 . 1 1 19 LEU N 1 1 19 LEU CA 1 1 19 LEU CB 1 1 19 LEU CG -89.99999 -30.0 . 19 . N . 19 . CA . 19 . CB . 19 . CG 1 1 56 . 1 1 21 CYS N 1 1 21 CYS CA 1 1 21 CYS CB 1 1 21 CYS SG 150.0 210.0 . 21 . N . 21 . CA . 21 . CB . 21 . SG 1 1 57 . 1 1 22 LYS N 1 1 22 LYS CA 1 1 22 LYS CB 1 1 22 LYS CG -89.99999 -30.0 . 22 . N . 22 . CA . 22 . CB . 22 . CG 1 1 58 . 1 1 23 ARG N 1 1 23 ARG CA 1 1 23 ARG CB 1 1 23 ARG CG -89.99999 -30.0 . 23 . N . 23 . CA . 23 . CB . 23 . CG 1 1 59 . 1 1 25 MET N 1 1 25 MET CA 1 1 25 MET CB 1 1 25 MET CG -89.99999 -30.0 . 25 . N . 25 . CA . 25 . CB . 25 . CG 1 1 60 . 1 1 26 LYS N 1 1 26 LYS CA 1 1 26 LYS CB 1 1 26 LYS CG -89.99999 -30.0 . 26 . N . 26 . CA . 26 . CB . 26 . CG 1 1 61 . 1 1 27 TYR N 1 1 27 TYR CA 1 1 27 TYR CB 1 1 27 TYR CG 30.0 89.99999 . 27 . N . 27 . CA . 27 . CB . 27 . CG 1 1 62 . 1 1 28 CYS N 1 1 28 CYS CA 1 1 28 CYS CB 1 1 28 CYS SG -89.99999 -30.0 . 28 . N . 28 . CA . 28 . CB . 28 . SG 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 ASP C C 6.620 -10.154 0.680 1.00 . A A . 1 ASP C 1 1 1 2 1 1 1 ASP CA C 7.070 -11.571 0.848 1.00 . A A . 1 ASP CA 1 1 1 3 1 1 1 ASP CB C 8.078 -11.950 -0.245 1.00 . A A . 1 ASP CB 1 1 1 4 1 1 1 ASP CG C 8.627 -13.338 -0.062 1.00 . A A . 1 ASP CG 1 1 1 5 1 1 1 ASP H1 H 5.278 -12.186 1.626 1.00 . A A . 1 ASP H1 1 1 1 6 1 1 1 ASP H2 H 6.100 -13.450 0.861 1.00 . A A . 1 ASP H2 1 1 1 7 1 1 1 ASP H3 H 5.334 -12.221 -0.036 1.00 . A A . 1 ASP H3 1 1 1 8 1 1 1 ASP HA H 7.527 -11.668 1.822 1.00 . A A . 1 ASP HA 1 1 1 9 1 1 1 ASP HB2 H 7.593 -11.901 -1.208 1.00 . A A . 1 ASP HB2 1 1 1 10 1 1 1 ASP HB3 H 8.899 -11.249 -0.225 1.00 . A A . 1 ASP HB3 1 1 1 11 1 1 1 ASP N N 5.885 -12.436 0.819 1.00 . A A . 1 ASP N 1 1 1 12 1 1 1 ASP O O 5.445 -9.924 0.390 1.00 . A A . 1 ASP O 1 1 1 13 1 1 1 ASP OD1 O 9.631 -13.508 0.651 1.00 . A A . 1 ASP OD1 1 1 1 14 1 1 1 ASP OD2 O 8.061 -14.296 -0.618 1.00 . A A . 1 ASP OD2 1 1 1 15 1 1 2 CYS C C 7.047 -7.343 -0.654 1.00 . A A . 2 CYS C 1 1 1 16 1 1 2 CYS CA C 7.148 -7.824 0.760 1.00 . A A . 2 CYS CA 1 1 1 17 1 1 2 CYS CB C 8.126 -6.955 1.506 1.00 . A A . 2 CYS CB 1 1 1 18 1 1 2 CYS H H 8.457 -9.396 1.051 1.00 . A A . 2 CYS H 1 1 1 19 1 1 2 CYS HA H 6.183 -7.700 1.224 1.00 . A A . 2 CYS HA 1 1 1 20 1 1 2 CYS HB2 H 7.807 -5.937 1.344 1.00 . A A . 2 CYS HB2 1 1 1 21 1 1 2 CYS HB3 H 8.081 -7.157 2.559 1.00 . A A . 2 CYS HB3 1 1 1 22 1 1 2 CYS N N 7.516 -9.206 0.848 1.00 . A A . 2 CYS N 1 1 1 23 1 1 2 CYS O O 7.522 -7.988 -1.603 1.00 . A A . 2 CYS O 1 1 1 24 1 1 2 CYS SG S 9.853 -7.056 0.927 1.00 . A A . 2 CYS SG 1 1 1 25 1 1 3 ARG C C 7.237 -4.416 -2.149 1.00 . A A . 3 ARG C 1 1 1 26 1 1 3 ARG CA C 6.267 -5.573 -2.042 1.00 . A A . 3 ARG CA 1 1 1 27 1 1 3 ARG CB C 4.833 -5.073 -2.192 1.00 . A A . 3 ARG CB 1 1 1 28 1 1 3 ARG CD C 3.939 -7.198 -3.239 1.00 . A A . 3 ARG CD 1 1 1 29 1 1 3 ARG CG C 4.095 -5.689 -3.374 1.00 . A A . 3 ARG CG 1 1 1 30 1 1 3 ARG CZ C 2.690 -8.804 -1.807 1.00 . A A . 3 ARG CZ 1 1 1 31 1 1 3 ARG H H 6.051 -5.820 0.031 1.00 . A A . 3 ARG H 1 1 1 32 1 1 3 ARG HA H 6.472 -6.283 -2.828 1.00 . A A . 3 ARG HA 1 1 1 33 1 1 3 ARG HB2 H 4.297 -5.286 -1.277 1.00 . A A . 3 ARG HB2 1 1 1 34 1 1 3 ARG HB3 H 4.856 -4.001 -2.320 1.00 . A A . 3 ARG HB3 1 1 1 35 1 1 3 ARG HD2 H 3.472 -7.573 -4.137 1.00 . A A . 3 ARG HD2 1 1 1 36 1 1 3 ARG HD3 H 4.913 -7.650 -3.126 1.00 . A A . 3 ARG HD3 1 1 1 37 1 1 3 ARG HE H 2.821 -6.819 -1.518 1.00 . A A . 3 ARG HE 1 1 1 38 1 1 3 ARG HG2 H 3.114 -5.246 -3.452 1.00 . A A . 3 ARG HG2 1 1 1 39 1 1 3 ARG HG3 H 4.656 -5.480 -4.272 1.00 . A A . 3 ARG HG3 1 1 1 40 1 1 3 ARG HH11 H 3.622 -9.723 -3.380 1.00 . A A . 3 ARG HH11 1 1 1 41 1 1 3 ARG HH12 H 2.743 -10.768 -2.367 1.00 . A A . 3 ARG HH12 1 1 1 42 1 1 3 ARG HH21 H 1.600 -8.241 -0.184 1.00 . A A . 3 ARG HH21 1 1 1 43 1 1 3 ARG HH22 H 1.546 -9.908 -0.529 1.00 . A A . 3 ARG HH22 1 1 1 44 1 1 3 ARG N N 6.428 -6.224 -0.785 1.00 . A A . 3 ARG N 1 1 1 45 1 1 3 ARG NE N 3.107 -7.565 -2.093 1.00 . A A . 3 ARG NE 1 1 1 46 1 1 3 ARG NH1 N 3.044 -9.832 -2.569 1.00 . A A . 3 ARG NH1 1 1 1 47 1 1 3 ARG NH2 N 1.899 -9.001 -0.771 1.00 . A A . 3 ARG NH2 1 1 1 48 1 1 3 ARG O O 7.422 -3.646 -1.189 1.00 . A A . 3 ARG O 1 1 1 49 1 1 4 TYR C C 7.975 -2.118 -4.227 1.00 . A A . 4 TYR C 1 1 1 50 1 1 4 TYR CA C 8.761 -3.244 -3.541 1.00 . A A . 4 TYR CA 1 1 1 51 1 1 4 TYR CB C 9.922 -3.740 -4.386 1.00 . A A . 4 TYR CB 1 1 1 52 1 1 4 TYR CD1 C 10.776 -6.069 -3.843 1.00 . A A . 4 TYR CD1 1 1 1 53 1 1 4 TYR CD2 C 11.881 -4.220 -2.819 1.00 . A A . 4 TYR CD2 1 1 1 54 1 1 4 TYR CE1 C 11.643 -6.937 -3.209 1.00 . A A . 4 TYR CE1 1 1 1 55 1 1 4 TYR CE2 C 12.748 -5.085 -2.182 1.00 . A A . 4 TYR CE2 1 1 1 56 1 1 4 TYR CG C 10.874 -4.696 -3.667 1.00 . A A . 4 TYR CG 1 1 1 57 1 1 4 TYR CZ C 12.627 -6.443 -2.380 1.00 . A A . 4 TYR CZ 1 1 1 58 1 1 4 TYR H H 7.807 -4.954 -4.011 1.00 . A A . 4 TYR H 1 1 1 59 1 1 4 TYR HA H 9.138 -2.886 -2.594 1.00 . A A . 4 TYR HA 1 1 1 60 1 1 4 TYR HB2 H 9.524 -4.254 -5.248 1.00 . A A . 4 TYR HB2 1 1 1 61 1 1 4 TYR HB3 H 10.475 -2.885 -4.720 1.00 . A A . 4 TYR HB3 1 1 1 62 1 1 4 TYR HD1 H 10.008 -6.463 -4.492 1.00 . A A . 4 TYR HD1 1 1 1 63 1 1 4 TYR HD2 H 11.986 -3.162 -2.631 1.00 . A A . 4 TYR HD2 1 1 1 64 1 1 4 TYR HE1 H 11.545 -8.000 -3.364 1.00 . A A . 4 TYR HE1 1 1 1 65 1 1 4 TYR HE2 H 13.517 -4.692 -1.534 1.00 . A A . 4 TYR HE2 1 1 1 66 1 1 4 TYR HH H 13.699 -6.940 -0.876 1.00 . A A . 4 TYR HH 1 1 1 67 1 1 4 TYR N N 7.886 -4.310 -3.277 1.00 . A A . 4 TYR N 1 1 1 68 1 1 4 TYR O O 6.734 -2.101 -4.170 1.00 . A A . 4 TYR O 1 1 1 69 1 1 4 TYR OH O 13.502 -7.315 -1.748 1.00 . A A . 4 TYR OH 1 1 1 70 1 1 5 MET C C 7.044 -0.358 -6.500 1.00 . A A . 5 MET C 1 1 1 71 1 1 5 MET CA C 8.016 -0.003 -5.402 1.00 . A A . 5 MET CA 1 1 1 72 1 1 5 MET CB C 9.044 1.003 -5.913 1.00 . A A . 5 MET CB 1 1 1 73 1 1 5 MET CE C 9.081 5.115 -5.868 1.00 . A A . 5 MET CE 1 1 1 74 1 1 5 MET CG C 8.545 2.426 -5.882 1.00 . A A . 5 MET CG 1 1 1 75 1 1 5 MET H H 9.622 -1.327 -5.044 1.00 . A A . 5 MET H 1 1 1 76 1 1 5 MET HA H 7.430 0.467 -4.621 1.00 . A A . 5 MET HA 1 1 1 77 1 1 5 MET HB2 H 9.936 0.945 -5.309 1.00 . A A . 5 MET HB2 1 1 1 78 1 1 5 MET HB3 H 9.301 0.752 -6.929 1.00 . A A . 5 MET HB3 1 1 1 79 1 1 5 MET HE1 H 8.036 5.255 -6.097 1.00 . A A . 5 MET HE1 1 1 1 80 1 1 5 MET HE2 H 9.665 5.944 -6.239 1.00 . A A . 5 MET HE2 1 1 1 81 1 1 5 MET HE3 H 9.223 5.033 -4.798 1.00 . A A . 5 MET HE3 1 1 1 82 1 1 5 MET HG2 H 7.605 2.487 -6.410 1.00 . A A . 5 MET HG2 1 1 1 83 1 1 5 MET HG3 H 8.395 2.681 -4.845 1.00 . A A . 5 MET HG3 1 1 1 84 1 1 5 MET N N 8.664 -1.197 -4.875 1.00 . A A . 5 MET N 1 1 1 85 1 1 5 MET O O 7.338 -1.203 -7.346 1.00 . A A . 5 MET O 1 1 1 86 1 1 5 MET SD S 9.688 3.600 -6.599 1.00 . A A . 5 MET SD 1 1 1 87 1 1 6 PHE C C 3.964 -1.170 -7.093 1.00 . A A . 6 PHE C 1 1 1 88 1 1 6 PHE CA C 4.770 0.090 -7.396 1.00 . A A . 6 PHE CA 1 1 1 89 1 1 6 PHE CB C 5.206 0.178 -8.880 1.00 . A A . 6 PHE CB 1 1 1 90 1 1 6 PHE CD1 C 7.182 1.690 -9.226 1.00 . A A . 6 PHE CD1 1 1 1 91 1 1 6 PHE CD2 C 5.011 2.581 -9.583 1.00 . A A . 6 PHE CD2 1 1 1 92 1 1 6 PHE CE1 C 7.742 2.904 -9.535 1.00 . A A . 6 PHE CE1 1 1 1 93 1 1 6 PHE CE2 C 5.566 3.806 -9.899 1.00 . A A . 6 PHE CE2 1 1 1 94 1 1 6 PHE CG C 5.811 1.510 -9.245 1.00 . A A . 6 PHE CG 1 1 1 95 1 1 6 PHE CZ C 6.934 3.967 -9.872 1.00 . A A . 6 PHE CZ 1 1 1 96 1 1 6 PHE H H 5.744 0.909 -5.703 1.00 . A A . 6 PHE H 1 1 1 97 1 1 6 PHE HA H 4.100 0.914 -7.187 1.00 . A A . 6 PHE HA 1 1 1 98 1 1 6 PHE HB2 H 5.943 -0.585 -9.073 1.00 . A A . 6 PHE HB2 1 1 1 99 1 1 6 PHE HB3 H 4.347 0.012 -9.515 1.00 . A A . 6 PHE HB3 1 1 1 100 1 1 6 PHE HD1 H 7.820 0.860 -8.961 1.00 . A A . 6 PHE HD1 1 1 1 101 1 1 6 PHE HD2 H 3.939 2.452 -9.601 1.00 . A A . 6 PHE HD2 1 1 1 102 1 1 6 PHE HE1 H 8.817 3.014 -9.506 1.00 . A A . 6 PHE HE1 1 1 1 103 1 1 6 PHE HE2 H 4.928 4.636 -10.162 1.00 . A A . 6 PHE HE2 1 1 1 104 1 1 6 PHE HZ H 7.372 4.924 -10.115 1.00 . A A . 6 PHE HZ 1 1 1 105 1 1 6 PHE N N 5.877 0.277 -6.447 1.00 . A A . 6 PHE N 1 1 1 106 1 1 6 PHE O O 3.002 -1.494 -7.792 1.00 . A A . 6 PHE O 1 1 1 107 1 1 7 GLY C C 2.475 -2.535 -4.647 1.00 . A A . 7 GLY C 1 1 1 108 1 1 7 GLY CA C 3.575 -2.990 -5.576 1.00 . A A . 7 GLY CA 1 1 1 109 1 1 7 GLY H H 5.136 -1.595 -5.528 1.00 . A A . 7 GLY H 1 1 1 110 1 1 7 GLY HA2 H 3.154 -3.507 -6.425 1.00 . A A . 7 GLY HA2 1 1 1 111 1 1 7 GLY HA3 H 4.233 -3.653 -5.037 1.00 . A A . 7 GLY HA3 1 1 1 112 1 1 7 GLY N N 4.331 -1.853 -6.027 1.00 . A A . 7 GLY N 1 1 1 113 1 1 7 GLY O O 2.679 -1.586 -3.904 1.00 . A A . 7 GLY O 1 1 1 114 1 1 8 ASP C C 0.390 -2.898 -2.421 1.00 . A A . 8 ASP C 1 1 1 115 1 1 8 ASP CA C 0.141 -2.819 -3.894 1.00 . A A . 8 ASP CA 1 1 1 116 1 1 8 ASP CB C -1.048 -3.693 -4.265 1.00 . A A . 8 ASP CB 1 1 1 117 1 1 8 ASP CG C -2.291 -3.473 -3.416 1.00 . A A . 8 ASP CG 1 1 1 118 1 1 8 ASP H H 1.259 -3.987 -5.270 1.00 . A A . 8 ASP H 1 1 1 119 1 1 8 ASP HA H -0.105 -1.796 -4.138 1.00 . A A . 8 ASP HA 1 1 1 120 1 1 8 ASP HB2 H -1.290 -3.386 -5.264 1.00 . A A . 8 ASP HB2 1 1 1 121 1 1 8 ASP HB3 H -0.765 -4.734 -4.248 1.00 . A A . 8 ASP HB3 1 1 1 122 1 1 8 ASP N N 1.331 -3.196 -4.694 1.00 . A A . 8 ASP N 1 1 1 123 1 1 8 ASP O O 1.177 -3.738 -1.959 1.00 . A A . 8 ASP O 1 1 1 124 1 1 8 ASP OD1 O -3.066 -2.530 -3.689 1.00 . A A . 8 ASP OD1 1 1 1 125 1 1 8 ASP OD2 O -2.538 -4.264 -2.487 1.00 . A A . 8 ASP OD2 1 1 1 126 1 1 9 CYS C C -1.301 -1.511 0.461 1.00 . A A . 9 CYS C 1 1 1 127 1 1 9 CYS CA C -0.072 -2.027 -0.269 1.00 . A A . 9 CYS CA 1 1 1 128 1 1 9 CYS CB C 1.130 -1.163 0.030 1.00 . A A . 9 CYS CB 1 1 1 129 1 1 9 CYS H H -0.865 -1.381 -2.092 1.00 . A A . 9 CYS H 1 1 1 130 1 1 9 CYS HA H 0.150 -3.031 0.058 1.00 . A A . 9 CYS HA 1 1 1 131 1 1 9 CYS HB2 H 1.421 -1.234 1.066 1.00 . A A . 9 CYS HB2 1 1 1 132 1 1 9 CYS HB3 H 1.892 -1.578 -0.616 1.00 . A A . 9 CYS HB3 1 1 1 133 1 1 9 CYS N N -0.262 -2.040 -1.679 1.00 . A A . 9 CYS N 1 1 1 134 1 1 9 CYS O O -2.063 -0.675 -0.074 1.00 . A A . 9 CYS O 1 1 1 135 1 1 9 CYS SG S 0.936 0.598 -0.441 1.00 . A A . 9 CYS SG 1 1 1 136 1 1 10 GLU C C -1.900 -0.711 3.570 1.00 . A A . 10 GLU C 1 1 1 137 1 1 10 GLU CA C -2.582 -1.544 2.515 1.00 . A A . 10 GLU CA 1 1 1 138 1 1 10 GLU CB C -3.293 -2.677 3.243 1.00 . A A . 10 GLU CB 1 1 1 139 1 1 10 GLU CD C -4.559 -4.798 3.233 1.00 . A A . 10 GLU CD 1 1 1 140 1 1 10 GLU CG C -3.888 -3.757 2.384 1.00 . A A . 10 GLU CG 1 1 1 141 1 1 10 GLU H H -1.008 -2.814 1.954 1.00 . A A . 10 GLU H 1 1 1 142 1 1 10 GLU HA H -3.290 -0.958 1.948 1.00 . A A . 10 GLU HA 1 1 1 143 1 1 10 GLU HB2 H -2.586 -3.149 3.908 1.00 . A A . 10 GLU HB2 1 1 1 144 1 1 10 GLU HB3 H -4.083 -2.247 3.841 1.00 . A A . 10 GLU HB3 1 1 1 145 1 1 10 GLU HG2 H -4.617 -3.319 1.717 1.00 . A A . 10 GLU HG2 1 1 1 146 1 1 10 GLU HG3 H -3.103 -4.227 1.812 1.00 . A A . 10 GLU HG3 1 1 1 147 1 1 10 GLU N N -1.541 -2.047 1.644 1.00 . A A . 10 GLU N 1 1 1 148 1 1 10 GLU O O -2.327 0.401 3.914 1.00 . A A . 10 GLU O 1 1 1 149 1 1 10 GLU OE1 O -3.861 -5.696 3.778 1.00 . A A . 10 GLU OE1 1 1 1 150 1 1 10 GLU OE2 O -5.789 -4.739 3.404 1.00 . A A . 10 GLU OE2 1 1 1 151 1 1 11 LYS C C 1.389 -0.807 4.711 1.00 . A A . 11 LYS C 1 1 1 152 1 1 11 LYS CA C -0.057 -0.701 5.104 1.00 . A A . 11 LYS CA 1 1 1 153 1 1 11 LYS CB C -0.327 -1.473 6.397 1.00 . A A . 11 LYS CB 1 1 1 154 1 1 11 LYS CD C -0.651 -3.822 7.270 1.00 . A A . 11 LYS CD 1 1 1 155 1 1 11 LYS CE C -1.971 -4.193 6.606 1.00 . A A . 11 LYS CE 1 1 1 156 1 1 11 LYS CG C 0.163 -2.916 6.379 1.00 . A A . 11 LYS CG 1 1 1 157 1 1 11 LYS H H -0.486 -2.119 3.698 1.00 . A A . 11 LYS H 1 1 1 158 1 1 11 LYS HA H -0.336 0.332 5.239 1.00 . A A . 11 LYS HA 1 1 1 159 1 1 11 LYS HB2 H 0.175 -0.958 7.202 1.00 . A A . 11 LYS HB2 1 1 1 160 1 1 11 LYS HB3 H -1.385 -1.456 6.595 1.00 . A A . 11 LYS HB3 1 1 1 161 1 1 11 LYS HD2 H -0.082 -4.720 7.456 1.00 . A A . 11 LYS HD2 1 1 1 162 1 1 11 LYS HD3 H -0.850 -3.316 8.203 1.00 . A A . 11 LYS HD3 1 1 1 163 1 1 11 LYS HE2 H -2.570 -4.757 7.306 1.00 . A A . 11 LYS HE2 1 1 1 164 1 1 11 LYS HE3 H -2.492 -3.288 6.337 1.00 . A A . 11 LYS HE3 1 1 1 165 1 1 11 LYS HG2 H 0.111 -3.291 5.368 1.00 . A A . 11 LYS HG2 1 1 1 166 1 1 11 LYS HG3 H 1.191 -2.935 6.709 1.00 . A A . 11 LYS HG3 1 1 1 167 1 1 11 LYS HZ1 H -2.663 -5.242 4.905 1.00 . A A . 11 LYS HZ1 1 1 1 168 1 1 11 LYS HZ2 H -1.318 -5.917 5.626 1.00 . A A . 11 LYS HZ2 1 1 1 169 1 1 11 LYS HZ3 H -1.142 -4.543 4.675 1.00 . A A . 11 LYS HZ3 1 1 1 170 1 1 11 LYS N N -0.822 -1.266 4.065 1.00 . A A . 11 LYS N 1 1 1 171 1 1 11 LYS NZ N -1.760 -5.010 5.377 1.00 . A A . 11 LYS NZ 1 1 1 172 1 1 11 LYS O O 1.723 -1.419 3.688 1.00 . A A . 11 LYS O 1 1 1 173 1 1 12 ASP C C 4.308 -1.592 5.357 1.00 . A A . 12 ASP C 1 1 1 174 1 1 12 ASP CA C 3.675 -0.235 5.216 1.00 . A A . 12 ASP CA 1 1 1 175 1 1 12 ASP CB C 4.397 0.762 6.107 1.00 . A A . 12 ASP CB 1 1 1 176 1 1 12 ASP CG C 3.807 2.128 6.017 1.00 . A A . 12 ASP CG 1 1 1 177 1 1 12 ASP H H 1.880 0.069 6.372 1.00 . A A . 12 ASP H 1 1 1 178 1 1 12 ASP HA H 3.772 0.083 4.189 1.00 . A A . 12 ASP HA 1 1 1 179 1 1 12 ASP HB2 H 4.336 0.432 7.133 1.00 . A A . 12 ASP HB2 1 1 1 180 1 1 12 ASP HB3 H 5.434 0.814 5.809 1.00 . A A . 12 ASP HB3 1 1 1 181 1 1 12 ASP N N 2.240 -0.289 5.530 1.00 . A A . 12 ASP N 1 1 1 182 1 1 12 ASP O O 5.346 -1.871 4.770 1.00 . A A . 12 ASP O 1 1 1 183 1 1 12 ASP OD1 O 3.105 2.546 6.980 1.00 . A A . 12 ASP OD1 1 1 1 184 1 1 12 ASP OD2 O 3.949 2.781 4.971 1.00 . A A . 12 ASP OD2 1 1 1 185 1 1 13 GLU C C 4.066 -4.643 5.121 1.00 . A A . 13 GLU C 1 1 1 186 1 1 13 GLU CA C 4.103 -3.803 6.383 1.00 . A A . 13 GLU CA 1 1 1 187 1 1 13 GLU CB C 3.171 -4.442 7.384 1.00 . A A . 13 GLU CB 1 1 1 188 1 1 13 GLU CD C 5.003 -5.307 8.880 1.00 . A A . 13 GLU CD 1 1 1 189 1 1 13 GLU CG C 3.746 -5.645 8.113 1.00 . A A . 13 GLU CG 1 1 1 190 1 1 13 GLU H H 2.777 -2.149 6.453 1.00 . A A . 13 GLU H 1 1 1 191 1 1 13 GLU HA H 5.099 -3.771 6.797 1.00 . A A . 13 GLU HA 1 1 1 192 1 1 13 GLU HB2 H 2.820 -3.710 8.093 1.00 . A A . 13 GLU HB2 1 1 1 193 1 1 13 GLU HB3 H 2.347 -4.785 6.767 1.00 . A A . 13 GLU HB3 1 1 1 194 1 1 13 GLU HG2 H 3.010 -6.019 8.808 1.00 . A A . 13 GLU HG2 1 1 1 195 1 1 13 GLU HG3 H 3.980 -6.410 7.388 1.00 . A A . 13 GLU HG3 1 1 1 196 1 1 13 GLU N N 3.635 -2.453 6.093 1.00 . A A . 13 GLU N 1 1 1 197 1 1 13 GLU O O 4.768 -5.646 5.004 1.00 . A A . 13 GLU O 1 1 1 198 1 1 13 GLU OE1 O 4.926 -4.577 9.886 1.00 . A A . 13 GLU OE1 1 1 1 199 1 1 13 GLU OE2 O 6.100 -5.790 8.509 1.00 . A A . 13 GLU OE2 1 1 1 200 1 1 14 ASP C C 4.257 -4.679 2.064 1.00 . A A . 14 ASP C 1 1 1 201 1 1 14 ASP CA C 3.062 -4.945 2.946 1.00 . A A . 14 ASP CA 1 1 1 202 1 1 14 ASP CB C 1.775 -4.529 2.229 1.00 . A A . 14 ASP CB 1 1 1 203 1 1 14 ASP CG C 0.511 -4.816 3.003 1.00 . A A . 14 ASP CG 1 1 1 204 1 1 14 ASP H H 2.708 -3.411 4.337 1.00 . A A . 14 ASP H 1 1 1 205 1 1 14 ASP HA H 3.019 -6.000 3.172 1.00 . A A . 14 ASP HA 1 1 1 206 1 1 14 ASP HB2 H 1.800 -3.482 1.969 1.00 . A A . 14 ASP HB2 1 1 1 207 1 1 14 ASP HB3 H 1.749 -5.128 1.338 1.00 . A A . 14 ASP HB3 1 1 1 208 1 1 14 ASP N N 3.224 -4.233 4.190 1.00 . A A . 14 ASP N 1 1 1 209 1 1 14 ASP O O 4.671 -5.517 1.265 1.00 . A A . 14 ASP O 1 1 1 210 1 1 14 ASP OD1 O -0.160 -3.867 3.466 1.00 . A A . 14 ASP OD1 1 1 1 211 1 1 14 ASP OD2 O 0.171 -5.994 3.195 1.00 . A A . 14 ASP OD2 1 1 1 212 1 1 15 CYS C C 7.210 -3.586 2.259 1.00 . A A . 15 CYS C 1 1 1 213 1 1 15 CYS CA C 5.984 -3.117 1.520 1.00 . A A . 15 CYS CA 1 1 1 214 1 1 15 CYS CB C 6.023 -1.601 1.423 1.00 . A A . 15 CYS CB 1 1 1 215 1 1 15 CYS H H 4.445 -2.898 2.888 1.00 . A A . 15 CYS H 1 1 1 216 1 1 15 CYS HA H 5.959 -3.532 0.524 1.00 . A A . 15 CYS HA 1 1 1 217 1 1 15 CYS HB2 H 6.261 -1.163 2.380 1.00 . A A . 15 CYS HB2 1 1 1 218 1 1 15 CYS HB3 H 6.803 -1.328 0.725 1.00 . A A . 15 CYS HB3 1 1 1 219 1 1 15 CYS N N 4.820 -3.522 2.237 1.00 . A A . 15 CYS N 1 1 1 220 1 1 15 CYS O O 7.140 -3.986 3.437 1.00 . A A . 15 CYS O 1 1 1 221 1 1 15 CYS SG S 4.482 -0.892 0.810 1.00 . A A . 15 CYS SG 1 1 1 222 1 1 16 CYS C C 9.947 -2.743 3.116 1.00 . A A . 16 CYS C 1 1 1 223 1 1 16 CYS CA C 9.562 -3.891 2.192 1.00 . A A . 16 CYS CA 1 1 1 224 1 1 16 CYS CB C 10.600 -4.108 1.124 1.00 . A A . 16 CYS CB 1 1 1 225 1 1 16 CYS H H 8.307 -3.436 0.613 1.00 . A A . 16 CYS H 1 1 1 226 1 1 16 CYS HA H 9.449 -4.796 2.770 1.00 . A A . 16 CYS HA 1 1 1 227 1 1 16 CYS HB2 H 10.821 -3.150 0.694 1.00 . A A . 16 CYS HB2 1 1 1 228 1 1 16 CYS HB3 H 11.530 -4.443 1.544 1.00 . A A . 16 CYS HB3 1 1 1 229 1 1 16 CYS N N 8.317 -3.593 1.580 1.00 . A A . 16 CYS N 1 1 1 230 1 1 16 CYS O O 9.385 -1.647 3.051 1.00 . A A . 16 CYS O 1 1 1 231 1 1 16 CYS SG S 10.096 -5.333 -0.126 1.00 . A A . 16 CYS SG 1 1 1 232 1 1 17 LYS C C 12.257 -1.005 4.497 1.00 . A A . 17 LYS C 1 1 1 233 1 1 17 LYS CA C 11.319 -2.059 4.977 1.00 . A A . 17 LYS CA 1 1 1 234 1 1 17 LYS CB C 11.847 -2.855 6.141 1.00 . A A . 17 LYS CB 1 1 1 235 1 1 17 LYS CD C 11.023 -4.504 7.870 1.00 . A A . 17 LYS CD 1 1 1 236 1 1 17 LYS CE C 9.868 -5.461 8.181 1.00 . A A . 17 LYS CE 1 1 1 237 1 1 17 LYS CG C 10.851 -3.910 6.486 1.00 . A A . 17 LYS CG 1 1 1 238 1 1 17 LYS H H 11.465 -3.778 3.741 1.00 . A A . 17 LYS H 1 1 1 239 1 1 17 LYS HA H 10.413 -1.560 5.285 1.00 . A A . 17 LYS HA 1 1 1 240 1 1 17 LYS HB2 H 12.789 -3.310 5.871 1.00 . A A . 17 LYS HB2 1 1 1 241 1 1 17 LYS HB3 H 11.974 -2.206 6.990 1.00 . A A . 17 LYS HB3 1 1 1 242 1 1 17 LYS HD2 H 11.959 -5.041 7.914 1.00 . A A . 17 LYS HD2 1 1 1 243 1 1 17 LYS HD3 H 11.022 -3.708 8.599 1.00 . A A . 17 LYS HD3 1 1 1 244 1 1 17 LYS HE2 H 9.871 -6.259 7.453 1.00 . A A . 17 LYS HE2 1 1 1 245 1 1 17 LYS HE3 H 10.011 -5.879 9.167 1.00 . A A . 17 LYS HE3 1 1 1 246 1 1 17 LYS HG2 H 9.889 -3.451 6.340 1.00 . A A . 17 LYS HG2 1 1 1 247 1 1 17 LYS HG3 H 10.968 -4.670 5.726 1.00 . A A . 17 LYS HG3 1 1 1 248 1 1 17 LYS HZ1 H 7.743 -5.406 8.318 1.00 . A A . 17 LYS HZ1 1 1 1 249 1 1 17 LYS HZ2 H 8.381 -4.328 7.205 1.00 . A A . 17 LYS HZ2 1 1 1 250 1 1 17 LYS HZ3 H 8.503 -4.013 8.847 1.00 . A A . 17 LYS HZ3 1 1 1 251 1 1 17 LYS N N 10.942 -2.964 3.901 1.00 . A A . 17 LYS N 1 1 1 252 1 1 17 LYS NZ N 8.550 -4.767 8.131 1.00 . A A . 17 LYS NZ 1 1 1 253 1 1 17 LYS O O 12.726 -0.147 5.238 1.00 . A A . 17 LYS O 1 1 1 254 1 1 18 HIS C C 12.328 0.834 1.845 1.00 . A A . 18 HIS C 1 1 1 255 1 1 18 HIS CA C 13.299 -0.114 2.530 1.00 . A A . 18 HIS CA 1 1 1 256 1 1 18 HIS CB C 14.199 -0.758 1.466 1.00 . A A . 18 HIS CB 1 1 1 257 1 1 18 HIS CD2 C 15.172 -3.018 2.216 1.00 . A A . 18 HIS CD2 1 1 1 258 1 1 18 HIS CE1 C 17.154 -2.373 2.774 1.00 . A A . 18 HIS CE1 1 1 1 259 1 1 18 HIS CG C 15.231 -1.686 2.002 1.00 . A A . 18 HIS CG 1 1 1 260 1 1 18 HIS H H 12.185 -1.940 2.872 1.00 . A A . 18 HIS H 1 1 1 261 1 1 18 HIS HA H 13.902 0.419 3.246 1.00 . A A . 18 HIS HA 1 1 1 262 1 1 18 HIS HB2 H 13.586 -1.324 0.781 1.00 . A A . 18 HIS HB2 1 1 1 263 1 1 18 HIS HB3 H 14.704 0.024 0.919 1.00 . A A . 18 HIS HB3 1 1 1 264 1 1 18 HIS HD1 H 16.851 -0.382 2.336 1.00 . A A . 18 HIS HD1 1 1 1 265 1 1 18 HIS HD2 H 14.315 -3.650 2.037 1.00 . A A . 18 HIS HD2 1 1 1 266 1 1 18 HIS HE1 H 18.178 -2.365 3.112 1.00 . A A . 18 HIS HE1 1 1 1 267 1 1 18 HIS N N 12.537 -1.112 3.260 1.00 . A A . 18 HIS N 1 1 1 268 1 1 18 HIS ND1 N 16.491 -1.297 2.365 1.00 . A A . 18 HIS ND1 1 1 1 269 1 1 18 HIS NE2 N 16.391 -3.453 2.707 1.00 . A A . 18 HIS NE2 1 1 1 270 1 1 18 HIS O O 12.724 1.747 1.127 1.00 . A A . 18 HIS O 1 1 1 271 1 1 19 LEU C C 8.914 1.734 2.398 1.00 . A A . 19 LEU C 1 1 1 272 1 1 19 LEU CA C 10.008 1.345 1.423 1.00 . A A . 19 LEU CA 1 1 1 273 1 1 19 LEU CB C 9.392 0.533 0.267 1.00 . A A . 19 LEU CB 1 1 1 274 1 1 19 LEU CD1 C 11.002 -1.046 -0.871 1.00 . A A . 19 LEU CD1 1 1 1 275 1 1 19 LEU CD2 C 9.478 0.379 -2.212 1.00 . A A . 19 LEU CD2 1 1 1 276 1 1 19 LEU CG C 10.278 0.280 -0.952 1.00 . A A . 19 LEU CG 1 1 1 277 1 1 19 LEU H H 10.772 -0.073 2.727 1.00 . A A . 19 LEU H 1 1 1 278 1 1 19 LEU HA H 10.432 2.251 1.011 1.00 . A A . 19 LEU HA 1 1 1 279 1 1 19 LEU HB2 H 9.121 -0.430 0.674 1.00 . A A . 19 LEU HB2 1 1 1 280 1 1 19 LEU HB3 H 8.484 1.019 -0.054 1.00 . A A . 19 LEU HB3 1 1 1 281 1 1 19 LEU HD11 H 11.628 -1.149 -1.745 1.00 . A A . 19 LEU HD11 1 1 1 282 1 1 19 LEU HD12 H 10.273 -1.843 -0.861 1.00 . A A . 19 LEU HD12 1 1 1 283 1 1 19 LEU HD13 H 11.606 -1.080 0.023 1.00 . A A . 19 LEU HD13 1 1 1 284 1 1 19 LEU HD21 H 8.684 -0.352 -2.196 1.00 . A A . 19 LEU HD21 1 1 1 285 1 1 19 LEU HD22 H 10.122 0.191 -3.060 1.00 . A A . 19 LEU HD22 1 1 1 286 1 1 19 LEU HD23 H 9.053 1.368 -2.295 1.00 . A A . 19 LEU HD23 1 1 1 287 1 1 19 LEU HG H 11.037 1.046 -0.984 1.00 . A A . 19 LEU HG 1 1 1 288 1 1 19 LEU N N 11.050 0.603 2.072 1.00 . A A . 19 LEU N 1 1 1 289 1 1 19 LEU O O 9.012 1.488 3.605 1.00 . A A . 19 LEU O 1 1 1 290 1 1 20 GLY C C 5.562 2.735 1.696 1.00 . A A . 20 GLY C 1 1 1 291 1 1 20 GLY CA C 6.752 2.748 2.610 1.00 . A A . 20 GLY CA 1 1 1 292 1 1 20 GLY H H 7.917 2.579 0.910 1.00 . A A . 20 GLY H 1 1 1 293 1 1 20 GLY HA2 H 6.598 2.070 3.437 1.00 . A A . 20 GLY HA2 1 1 1 294 1 1 20 GLY HA3 H 6.899 3.754 2.972 1.00 . A A . 20 GLY HA3 1 1 1 295 1 1 20 GLY N N 7.905 2.358 1.869 1.00 . A A . 20 GLY N 1 1 1 296 1 1 20 GLY O O 5.729 2.784 0.481 1.00 . A A . 20 GLY O 1 1 1 297 1 1 21 CYS C C 2.630 3.974 1.109 1.00 . A A . 21 CYS C 1 1 1 298 1 1 21 CYS CA C 3.206 2.591 1.411 1.00 . A A . 21 CYS CA 1 1 1 299 1 1 21 CYS CB C 2.160 1.707 2.123 1.00 . A A . 21 CYS CB 1 1 1 300 1 1 21 CYS H H 4.293 2.713 3.215 1.00 . A A . 21 CYS H 1 1 1 301 1 1 21 CYS HA H 3.474 2.113 0.481 1.00 . A A . 21 CYS HA 1 1 1 302 1 1 21 CYS HB2 H 2.555 0.706 2.215 1.00 . A A . 21 CYS HB2 1 1 1 303 1 1 21 CYS HB3 H 1.994 2.105 3.114 1.00 . A A . 21 CYS HB3 1 1 1 304 1 1 21 CYS N N 4.395 2.681 2.231 1.00 . A A . 21 CYS N 1 1 1 305 1 1 21 CYS O O 2.465 4.795 2.006 1.00 . A A . 21 CYS O 1 1 1 306 1 1 21 CYS SG S 0.535 1.568 1.295 1.00 . A A . 21 CYS SG 1 1 1 307 1 1 22 LYS C C 0.251 5.092 -0.672 1.00 . A A . 22 LYS C 1 1 1 308 1 1 22 LYS CA C 1.658 5.453 -0.458 1.00 . A A . 22 LYS CA 1 1 1 309 1 1 22 LYS CB C 2.185 6.250 -1.639 1.00 . A A . 22 LYS CB 1 1 1 310 1 1 22 LYS CD C 3.320 7.867 -0.082 1.00 . A A . 22 LYS CD 1 1 1 311 1 1 22 LYS CE C 4.425 8.930 0.019 1.00 . A A . 22 LYS CE 1 1 1 312 1 1 22 LYS CG C 3.444 7.014 -1.349 1.00 . A A . 22 LYS CG 1 1 1 313 1 1 22 LYS H H 2.689 3.698 -0.881 1.00 . A A . 22 LYS H 1 1 1 314 1 1 22 LYS HA H 1.690 6.071 0.427 1.00 . A A . 22 LYS HA 1 1 1 315 1 1 22 LYS HB2 H 2.382 5.566 -2.452 1.00 . A A . 22 LYS HB2 1 1 1 316 1 1 22 LYS HB3 H 1.420 6.945 -1.949 1.00 . A A . 22 LYS HB3 1 1 1 317 1 1 22 LYS HD2 H 2.351 8.342 -0.072 1.00 . A A . 22 LYS HD2 1 1 1 318 1 1 22 LYS HD3 H 3.372 7.214 0.778 1.00 . A A . 22 LYS HD3 1 1 1 319 1 1 22 LYS HE2 H 4.261 9.666 -0.753 1.00 . A A . 22 LYS HE2 1 1 1 320 1 1 22 LYS HE3 H 4.351 9.405 0.987 1.00 . A A . 22 LYS HE3 1 1 1 321 1 1 22 LYS HG2 H 4.152 6.232 -1.158 1.00 . A A . 22 LYS HG2 1 1 1 322 1 1 22 LYS HG3 H 3.737 7.616 -2.196 1.00 . A A . 22 LYS HG3 1 1 1 323 1 1 22 LYS HZ1 H 5.929 8.061 -1.127 1.00 . A A . 22 LYS HZ1 1 1 1 324 1 1 22 LYS HZ2 H 5.971 7.553 0.463 1.00 . A A . 22 LYS HZ2 1 1 1 325 1 1 22 LYS HZ3 H 6.543 9.063 0.065 1.00 . A A . 22 LYS HZ3 1 1 1 326 1 1 22 LYS N N 2.393 4.276 -0.144 1.00 . A A . 22 LYS N 1 1 1 327 1 1 22 LYS NZ N 5.786 8.376 -0.147 1.00 . A A . 22 LYS NZ 1 1 1 328 1 1 22 LYS O O -0.105 4.450 -1.669 1.00 . A A . 22 LYS O 1 1 1 329 1 1 23 ARG C C -2.704 5.971 -0.856 1.00 . A A . 23 ARG C 1 1 1 330 1 1 23 ARG CA C -1.965 5.249 0.247 1.00 . A A . 23 ARG CA 1 1 1 331 1 1 23 ARG CB C -2.594 5.601 1.589 1.00 . A A . 23 ARG CB 1 1 1 332 1 1 23 ARG CD C -0.783 4.917 3.273 1.00 . A A . 23 ARG CD 1 1 1 333 1 1 23 ARG CG C -2.207 4.735 2.785 1.00 . A A . 23 ARG CG 1 1 1 334 1 1 23 ARG CZ C 0.588 3.801 5.025 1.00 . A A . 23 ARG CZ 1 1 1 335 1 1 23 ARG H H -0.184 6.158 0.902 1.00 . A A . 23 ARG H 1 1 1 336 1 1 23 ARG HA H -2.067 4.189 0.089 1.00 . A A . 23 ARG HA 1 1 1 337 1 1 23 ARG HB2 H -2.325 6.619 1.825 1.00 . A A . 23 ARG HB2 1 1 1 338 1 1 23 ARG HB3 H -3.665 5.559 1.471 1.00 . A A . 23 ARG HB3 1 1 1 339 1 1 23 ARG HD2 H -0.098 4.562 2.517 1.00 . A A . 23 ARG HD2 1 1 1 340 1 1 23 ARG HD3 H -0.604 5.963 3.469 1.00 . A A . 23 ARG HD3 1 1 1 341 1 1 23 ARG HE H -1.418 3.927 4.968 1.00 . A A . 23 ARG HE 1 1 1 342 1 1 23 ARG HG2 H -2.862 4.962 3.609 1.00 . A A . 23 ARG HG2 1 1 1 343 1 1 23 ARG HG3 H -2.330 3.706 2.484 1.00 . A A . 23 ARG HG3 1 1 1 344 1 1 23 ARG HH11 H 1.770 4.703 3.617 1.00 . A A . 23 ARG HH11 1 1 1 345 1 1 23 ARG HH12 H 2.608 3.834 4.824 1.00 . A A . 23 ARG HH12 1 1 1 346 1 1 23 ARG HH21 H -0.199 2.799 6.626 1.00 . A A . 23 ARG HH21 1 1 1 347 1 1 23 ARG HH22 H 1.520 2.852 6.526 1.00 . A A . 23 ARG HH22 1 1 1 348 1 1 23 ARG N N -0.559 5.552 0.226 1.00 . A A . 23 ARG N 1 1 1 349 1 1 23 ARG NE N -0.580 4.165 4.509 1.00 . A A . 23 ARG NE 1 1 1 350 1 1 23 ARG NH1 N 1.718 4.148 4.455 1.00 . A A . 23 ARG NH1 1 1 1 351 1 1 23 ARG NH2 N 0.623 3.097 6.129 1.00 . A A . 23 ARG NH2 1 1 1 352 1 1 23 ARG O O -3.872 5.688 -1.123 1.00 . A A . 23 ARG O 1 1 1 353 1 1 24 LYS C C -2.515 6.914 -3.860 1.00 . A A . 24 LYS C 1 1 1 354 1 1 24 LYS CA C -2.644 7.656 -2.563 1.00 . A A . 24 LYS CA 1 1 1 355 1 1 24 LYS CB C -1.974 9.037 -2.667 1.00 . A A . 24 LYS CB 1 1 1 356 1 1 24 LYS CD C -3.998 10.350 -3.526 1.00 . A A . 24 LYS CD 1 1 1 357 1 1 24 LYS CE C -4.181 11.233 -2.289 1.00 . A A . 24 LYS CE 1 1 1 358 1 1 24 LYS CG C -2.533 9.954 -3.761 1.00 . A A . 24 LYS CG 1 1 1 359 1 1 24 LYS H H -1.053 6.953 -1.320 1.00 . A A . 24 LYS H 1 1 1 360 1 1 24 LYS HA H -3.687 7.780 -2.316 1.00 . A A . 24 LYS HA 1 1 1 361 1 1 24 LYS HB2 H -2.072 9.546 -1.721 1.00 . A A . 24 LYS HB2 1 1 1 362 1 1 24 LYS HB3 H -0.922 8.882 -2.864 1.00 . A A . 24 LYS HB3 1 1 1 363 1 1 24 LYS HD2 H -4.351 10.894 -4.390 1.00 . A A . 24 LYS HD2 1 1 1 364 1 1 24 LYS HD3 H -4.585 9.451 -3.411 1.00 . A A . 24 LYS HD3 1 1 1 365 1 1 24 LYS HE2 H -5.231 11.461 -2.184 1.00 . A A . 24 LYS HE2 1 1 1 366 1 1 24 LYS HE3 H -3.849 10.689 -1.418 1.00 . A A . 24 LYS HE3 1 1 1 367 1 1 24 LYS HG2 H -1.935 10.852 -3.792 1.00 . A A . 24 LYS HG2 1 1 1 368 1 1 24 LYS HG3 H -2.452 9.444 -4.709 1.00 . A A . 24 LYS HG3 1 1 1 369 1 1 24 LYS HZ1 H -2.408 12.319 -2.412 1.00 . A A . 24 LYS HZ1 1 1 1 370 1 1 24 LYS HZ2 H -3.614 13.120 -1.568 1.00 . A A . 24 LYS HZ2 1 1 1 371 1 1 24 LYS HZ3 H -3.660 13.040 -3.249 1.00 . A A . 24 LYS HZ3 1 1 1 372 1 1 24 LYS N N -2.018 6.867 -1.521 1.00 . A A . 24 LYS N 1 1 1 373 1 1 24 LYS NZ N -3.428 12.507 -2.386 1.00 . A A . 24 LYS NZ 1 1 1 374 1 1 24 LYS O O -3.351 7.009 -4.754 1.00 . A A . 24 LYS O 1 1 1 375 1 1 25 MET C C -1.413 3.936 -4.947 1.00 . A A . 25 MET C 1 1 1 376 1 1 25 MET CA C -1.173 5.421 -5.122 1.00 . A A . 25 MET CA 1 1 1 377 1 1 25 MET CB C 0.272 5.708 -5.520 1.00 . A A . 25 MET CB 1 1 1 378 1 1 25 MET CE C -1.603 7.343 -7.791 1.00 . A A . 25 MET CE 1 1 1 379 1 1 25 MET CG C 0.575 7.161 -5.930 1.00 . A A . 25 MET CG 1 1 1 380 1 1 25 MET H H -0.921 6.021 -3.139 1.00 . A A . 25 MET H 1 1 1 381 1 1 25 MET HA H -1.820 5.790 -5.901 1.00 . A A . 25 MET HA 1 1 1 382 1 1 25 MET HB2 H 0.965 5.413 -4.746 1.00 . A A . 25 MET HB2 1 1 1 383 1 1 25 MET HB3 H 0.478 5.085 -6.371 1.00 . A A . 25 MET HB3 1 1 1 384 1 1 25 MET HE1 H -2.099 7.883 -6.998 1.00 . A A . 25 MET HE1 1 1 1 385 1 1 25 MET HE2 H -1.844 6.291 -7.754 1.00 . A A . 25 MET HE2 1 1 1 386 1 1 25 MET HE3 H -1.935 7.734 -8.741 1.00 . A A . 25 MET HE3 1 1 1 387 1 1 25 MET HG2 H -0.005 7.813 -5.294 1.00 . A A . 25 MET HG2 1 1 1 388 1 1 25 MET HG3 H 1.624 7.350 -5.758 1.00 . A A . 25 MET HG3 1 1 1 389 1 1 25 MET N N -1.488 6.133 -3.931 1.00 . A A . 25 MET N 1 1 1 390 1 1 25 MET O O -1.350 3.177 -5.908 1.00 . A A . 25 MET O 1 1 1 391 1 1 25 MET SD S 0.177 7.582 -7.671 1.00 . A A . 25 MET SD 1 1 1 392 1 1 26 LYS C C -0.748 1.297 -3.593 1.00 . A A . 26 LYS C 1 1 1 393 1 1 26 LYS CA C -1.934 2.142 -3.297 1.00 . A A . 26 LYS CA 1 1 1 394 1 1 26 LYS CB C -3.197 1.546 -3.929 1.00 . A A . 26 LYS CB 1 1 1 395 1 1 26 LYS CD C -4.660 3.593 -3.681 1.00 . A A . 26 LYS CD 1 1 1 396 1 1 26 LYS CE C -5.956 4.129 -3.092 1.00 . A A . 26 LYS CE 1 1 1 397 1 1 26 LYS CG C -4.502 2.123 -3.398 1.00 . A A . 26 LYS CG 1 1 1 398 1 1 26 LYS H H -1.755 4.197 -2.977 1.00 . A A . 26 LYS H 1 1 1 399 1 1 26 LYS HA H -2.055 2.153 -2.225 1.00 . A A . 26 LYS HA 1 1 1 400 1 1 26 LYS HB2 H -3.140 1.664 -4.999 1.00 . A A . 26 LYS HB2 1 1 1 401 1 1 26 LYS HB3 H -3.192 0.486 -3.723 1.00 . A A . 26 LYS HB3 1 1 1 402 1 1 26 LYS HD2 H -3.793 4.086 -3.257 1.00 . A A . 26 LYS HD2 1 1 1 403 1 1 26 LYS HD3 H -4.647 3.737 -4.751 1.00 . A A . 26 LYS HD3 1 1 1 404 1 1 26 LYS HE2 H -6.003 5.193 -3.270 1.00 . A A . 26 LYS HE2 1 1 1 405 1 1 26 LYS HE3 H -6.788 3.646 -3.582 1.00 . A A . 26 LYS HE3 1 1 1 406 1 1 26 LYS HG2 H -5.345 1.599 -3.819 1.00 . A A . 26 LYS HG2 1 1 1 407 1 1 26 LYS HG3 H -4.479 1.993 -2.328 1.00 . A A . 26 LYS HG3 1 1 1 408 1 1 26 LYS HZ1 H -6.938 4.285 -1.271 1.00 . A A . 26 LYS HZ1 1 1 1 409 1 1 26 LYS HZ2 H -5.264 4.344 -1.117 1.00 . A A . 26 LYS HZ2 1 1 1 410 1 1 26 LYS HZ3 H -6.047 2.869 -1.427 1.00 . A A . 26 LYS HZ3 1 1 1 411 1 1 26 LYS N N -1.695 3.537 -3.695 1.00 . A A . 26 LYS N 1 1 1 412 1 1 26 LYS NZ N -6.047 3.889 -1.633 1.00 . A A . 26 LYS NZ 1 1 1 413 1 1 26 LYS O O -0.851 0.082 -3.752 1.00 . A A . 26 LYS O 1 1 1 414 1 1 27 TYR C C 2.717 1.691 -3.060 1.00 . A A . 27 TYR C 1 1 1 415 1 1 27 TYR CA C 1.582 1.218 -3.888 1.00 . A A . 27 TYR CA 1 1 1 416 1 1 27 TYR CB C 1.964 1.134 -5.392 1.00 . A A . 27 TYR CB 1 1 1 417 1 1 27 TYR CD1 C 3.322 3.249 -5.790 1.00 . A A . 27 TYR CD1 1 1 1 418 1 1 27 TYR CD2 C 1.508 2.784 -7.250 1.00 . A A . 27 TYR CD2 1 1 1 419 1 1 27 TYR CE1 C 3.616 4.387 -6.502 1.00 . A A . 27 TYR CE1 1 1 1 420 1 1 27 TYR CE2 C 1.790 3.925 -7.971 1.00 . A A . 27 TYR CE2 1 1 1 421 1 1 27 TYR CG C 2.260 2.427 -6.146 1.00 . A A . 27 TYR CG 1 1 1 422 1 1 27 TYR CZ C 2.842 4.725 -7.598 1.00 . A A . 27 TYR CZ 1 1 1 423 1 1 27 TYR H H 0.349 2.874 -3.368 1.00 . A A . 27 TYR H 1 1 1 424 1 1 27 TYR HA H 1.383 0.211 -3.553 1.00 . A A . 27 TYR HA 1 1 1 425 1 1 27 TYR HB2 H 2.856 0.530 -5.466 1.00 . A A . 27 TYR HB2 1 1 1 426 1 1 27 TYR HB3 H 1.174 0.610 -5.905 1.00 . A A . 27 TYR HB3 1 1 1 427 1 1 27 TYR HD1 H 3.920 2.986 -4.929 1.00 . A A . 27 TYR HD1 1 1 1 428 1 1 27 TYR HD2 H 0.679 2.158 -7.544 1.00 . A A . 27 TYR HD2 1 1 1 429 1 1 27 TYR HE1 H 4.449 4.994 -6.183 1.00 . A A . 27 TYR HE1 1 1 1 430 1 1 27 TYR HE2 H 1.183 4.189 -8.824 1.00 . A A . 27 TYR HE2 1 1 1 431 1 1 27 TYR HH H 2.273 6.307 -8.473 1.00 . A A . 27 TYR HH 1 1 1 432 1 1 27 TYR N N 0.376 1.922 -3.613 1.00 . A A . 27 TYR N 1 1 1 433 1 1 27 TYR O O 2.727 2.828 -2.556 1.00 . A A . 27 TYR O 1 1 1 434 1 1 27 TYR OH O 3.118 5.868 -8.321 1.00 . A A . 27 TYR OH 1 1 1 435 1 1 28 CYS C C 5.727 2.033 -2.900 1.00 . A A . 28 CYS C 1 1 1 436 1 1 28 CYS CA C 4.822 1.071 -2.168 1.00 . A A . 28 CYS CA 1 1 1 437 1 1 28 CYS CB C 5.532 -0.242 -1.916 1.00 . A A . 28 CYS CB 1 1 1 438 1 1 28 CYS H H 3.521 -0.057 -3.331 1.00 . A A . 28 CYS H 1 1 1 439 1 1 28 CYS HA H 4.542 1.493 -1.216 1.00 . A A . 28 CYS HA 1 1 1 440 1 1 28 CYS HB2 H 5.870 -0.651 -2.858 1.00 . A A . 28 CYS HB2 1 1 1 441 1 1 28 CYS HB3 H 6.383 -0.069 -1.274 1.00 . A A . 28 CYS HB3 1 1 1 442 1 1 28 CYS N N 3.652 0.826 -2.917 1.00 . A A . 28 CYS N 1 1 1 443 1 1 28 CYS O O 5.948 1.911 -4.115 1.00 . A A . 28 CYS O 1 1 1 444 1 1 28 CYS SG S 4.476 -1.479 -1.118 1.00 . A A . 28 CYS SG 1 1 1 445 1 1 29 ALA C C 8.347 3.799 -1.760 1.00 . A A . 29 ALA C 1 1 1 446 1 1 29 ALA CA C 7.134 3.953 -2.643 1.00 . A A . 29 ALA CA 1 1 1 447 1 1 29 ALA CB C 6.541 5.338 -2.525 1.00 . A A . 29 ALA CB 1 1 1 448 1 1 29 ALA H H 5.942 3.029 -1.228 1.00 . A A . 29 ALA H 1 1 1 449 1 1 29 ALA HA H 7.376 3.739 -3.673 1.00 . A A . 29 ALA HA 1 1 1 450 1 1 29 ALA HB1 H 5.647 5.401 -3.126 1.00 . A A . 29 ALA HB1 1 1 1 451 1 1 29 ALA HB2 H 7.260 6.057 -2.888 1.00 . A A . 29 ALA HB2 1 1 1 452 1 1 29 ALA HB3 H 6.304 5.548 -1.493 1.00 . A A . 29 ALA HB3 1 1 1 453 1 1 29 ALA N N 6.203 2.988 -2.178 1.00 . A A . 29 ALA N 1 1 1 454 1 1 29 ALA O O 8.266 3.079 -0.785 1.00 . A A . 29 ALA O 1 1 1 455 1 1 30 TRP C C 10.571 4.859 0.183 1.00 . A A . 30 TRP C 1 1 1 456 1 1 30 TRP CA C 10.664 4.282 -1.232 1.00 . A A . 30 TRP CA 1 1 1 457 1 1 30 TRP CB C 11.901 4.801 -1.960 1.00 . A A . 30 TRP CB 1 1 1 458 1 1 30 TRP CD1 C 12.122 4.263 -4.439 1.00 . A A . 30 TRP CD1 1 1 1 459 1 1 30 TRP CD2 C 12.876 2.700 -3.080 1.00 . A A . 30 TRP CD2 1 1 1 460 1 1 30 TRP CE2 C 13.069 2.253 -4.387 1.00 . A A . 30 TRP CE2 1 1 1 461 1 1 30 TRP CE3 C 13.261 1.915 -2.039 1.00 . A A . 30 TRP CE3 1 1 1 462 1 1 30 TRP CG C 12.281 3.973 -3.135 1.00 . A A . 30 TRP CG 1 1 1 463 1 1 30 TRP CH2 C 14.023 0.249 -3.610 1.00 . A A . 30 TRP CH2 1 1 1 464 1 1 30 TRP CZ2 C 13.645 1.021 -4.673 1.00 . A A . 30 TRP CZ2 1 1 1 465 1 1 30 TRP CZ3 C 13.835 0.687 -2.295 1.00 . A A . 30 TRP CZ3 1 1 1 466 1 1 30 TRP H H 9.439 5.150 -2.745 1.00 . A A . 30 TRP H 1 1 1 467 1 1 30 TRP HA H 10.762 3.211 -1.127 1.00 . A A . 30 TRP HA 1 1 1 468 1 1 30 TRP HB2 H 11.721 5.804 -2.306 1.00 . A A . 30 TRP HB2 1 1 1 469 1 1 30 TRP HB3 H 12.736 4.810 -1.275 1.00 . A A . 30 TRP HB3 1 1 1 470 1 1 30 TRP HD1 H 11.679 5.182 -4.794 1.00 . A A . 30 TRP HD1 1 1 1 471 1 1 30 TRP HE1 H 12.602 3.192 -6.191 1.00 . A A . 30 TRP HE1 1 1 1 472 1 1 30 TRP HE3 H 13.077 2.317 -1.055 1.00 . A A . 30 TRP HE3 1 1 1 473 1 1 30 TRP HH2 H 14.474 -0.718 -3.773 1.00 . A A . 30 TRP HH2 1 1 1 474 1 1 30 TRP HZ2 H 13.792 0.675 -5.685 1.00 . A A . 30 TRP HZ2 1 1 1 475 1 1 30 TRP HZ3 H 14.144 0.054 -1.477 1.00 . A A . 30 TRP HZ3 1 1 1 476 1 1 30 TRP N N 9.434 4.482 -2.028 1.00 . A A . 30 TRP N 1 1 1 477 1 1 30 TRP NE1 N 12.598 3.227 -5.211 1.00 . A A . 30 TRP NE1 1 1 1 478 1 1 30 TRP O O 11.496 4.725 0.991 1.00 . A A . 30 TRP O 1 1 1 479 1 1 31 ASP C C 7.653 6.192 1.796 1.00 . A A . 31 ASP C 1 1 1 480 1 1 31 ASP CA C 9.146 6.057 1.709 1.00 . A A . 31 ASP CA 1 1 1 481 1 1 31 ASP CB C 9.806 7.439 1.789 1.00 . A A . 31 ASP CB 1 1 1 482 1 1 31 ASP CG C 9.455 8.356 0.625 1.00 . A A . 31 ASP CG 1 1 1 483 1 1 31 ASP H H 8.691 5.448 -0.150 1.00 . A A . 31 ASP H 1 1 1 484 1 1 31 ASP HA H 9.510 5.437 2.514 1.00 . A A . 31 ASP HA 1 1 1 485 1 1 31 ASP HB2 H 9.518 7.918 2.712 1.00 . A A . 31 ASP HB2 1 1 1 486 1 1 31 ASP HB3 H 10.872 7.269 1.785 1.00 . A A . 31 ASP HB3 1 1 1 487 1 1 31 ASP N N 9.438 5.437 0.480 1.00 . A A . 31 ASP N 1 1 1 488 1 1 31 ASP O O 6.956 6.110 0.778 1.00 . A A . 31 ASP O 1 1 1 489 1 1 31 ASP OD1 O 8.331 8.857 0.553 1.00 . A A . 31 ASP OD1 1 1 1 490 1 1 31 ASP OD2 O 10.333 8.593 -0.245 1.00 . A A . 31 ASP OD2 1 1 1 491 1 1 32 PHE C C 5.476 7.966 3.649 1.00 . A A . 32 PHE C 1 1 1 492 1 1 32 PHE CA C 5.742 6.545 3.200 1.00 . A A . 32 PHE CA 1 1 1 493 1 1 32 PHE CB C 5.164 5.541 4.220 1.00 . A A . 32 PHE CB 1 1 1 494 1 1 32 PHE CD1 C 6.854 4.535 5.795 1.00 . A A . 32 PHE CD1 1 1 1 495 1 1 32 PHE CD2 C 5.518 6.335 6.594 1.00 . A A . 32 PHE CD2 1 1 1 496 1 1 32 PHE CE1 C 7.482 4.456 7.016 1.00 . A A . 32 PHE CE1 1 1 1 497 1 1 32 PHE CE2 C 6.147 6.261 7.817 1.00 . A A . 32 PHE CE2 1 1 1 498 1 1 32 PHE CG C 5.864 5.475 5.564 1.00 . A A . 32 PHE CG 1 1 1 499 1 1 32 PHE CZ C 7.130 5.320 8.028 1.00 . A A . 32 PHE CZ 1 1 1 500 1 1 32 PHE H H 7.827 6.289 3.689 1.00 . A A . 32 PHE H 1 1 1 501 1 1 32 PHE HA H 5.247 6.396 2.250 1.00 . A A . 32 PHE HA 1 1 1 502 1 1 32 PHE HB2 H 4.137 5.811 4.416 1.00 . A A . 32 PHE HB2 1 1 1 503 1 1 32 PHE HB3 H 5.175 4.552 3.786 1.00 . A A . 32 PHE HB3 1 1 1 504 1 1 32 PHE HD1 H 7.138 3.856 5.005 1.00 . A A . 32 PHE HD1 1 1 1 505 1 1 32 PHE HD2 H 4.752 7.078 6.429 1.00 . A A . 32 PHE HD2 1 1 1 506 1 1 32 PHE HE1 H 8.254 3.718 7.181 1.00 . A A . 32 PHE HE1 1 1 1 507 1 1 32 PHE HE2 H 5.870 6.938 8.610 1.00 . A A . 32 PHE HE2 1 1 1 508 1 1 32 PHE HZ H 7.625 5.259 8.985 1.00 . A A . 32 PHE HZ 1 1 1 509 1 1 32 PHE N N 7.169 6.337 2.966 1.00 . A A . 32 PHE N 1 1 1 510 1 1 32 PHE O O 4.415 8.535 3.355 1.00 . A A . 32 PHE O 1 1 1 511 1 1 33 THR C C 6.347 10.899 3.762 1.00 . A A . 33 THR C 1 1 1 512 1 1 33 THR CA C 6.370 9.849 4.874 1.00 . A A . 33 THR CA 1 1 1 513 1 1 33 THR CB C 7.581 10.086 5.800 1.00 . A A . 33 THR CB 1 1 1 514 1 1 33 THR CG2 C 7.428 11.374 6.591 1.00 . A A . 33 THR CG2 1 1 1 515 1 1 33 THR H H 7.291 8.045 4.466 1.00 . A A . 33 THR H 1 1 1 516 1 1 33 THR HA H 5.470 9.919 5.467 1.00 . A A . 33 THR HA 1 1 1 517 1 1 33 THR HB H 8.478 10.134 5.198 1.00 . A A . 33 THR HB 1 1 1 518 1 1 33 THR HG1 H 6.933 9.053 7.327 1.00 . A A . 33 THR HG1 1 1 1 519 1 1 33 THR HG21 H 6.525 11.310 7.180 1.00 . A A . 33 THR HG21 1 1 1 520 1 1 33 THR HG22 H 7.358 12.209 5.909 1.00 . A A . 33 THR HG22 1 1 1 521 1 1 33 THR HG23 H 8.278 11.503 7.244 1.00 . A A . 33 THR HG23 1 1 1 522 1 1 33 THR N N 6.453 8.531 4.323 1.00 . A A . 33 THR N 1 1 1 523 1 1 33 THR O O 7.068 10.787 2.766 1.00 . A A . 33 THR O 1 1 1 524 1 1 33 THR OG1 O 7.683 8.984 6.721 1.00 . A A . 33 THR OG1 1 1 1 525 1 1 34 PHE C C 6.546 13.927 3.216 1.00 . A A . 34 PHE C 1 1 1 526 1 1 34 PHE CA C 5.407 12.961 2.975 1.00 . A A . 34 PHE CA 1 1 1 527 1 1 34 PHE CB C 4.054 13.660 3.090 1.00 . A A . 34 PHE CB 1 1 1 528 1 1 34 PHE CD1 C 2.423 12.690 1.475 1.00 . A A . 34 PHE CD1 1 1 1 529 1 1 34 PHE CD2 C 2.291 12.002 3.743 1.00 . A A . 34 PHE CD2 1 1 1 530 1 1 34 PHE CE1 C 1.368 11.869 1.165 1.00 . A A . 34 PHE CE1 1 1 1 531 1 1 34 PHE CE2 C 1.233 11.178 3.439 1.00 . A A . 34 PHE CE2 1 1 1 532 1 1 34 PHE CG C 2.897 12.769 2.764 1.00 . A A . 34 PHE CG 1 1 1 533 1 1 34 PHE CZ C 0.772 11.112 2.146 1.00 . A A . 34 PHE CZ 1 1 1 534 1 1 34 PHE H H 4.918 11.888 4.713 1.00 . A A . 34 PHE H 1 1 1 535 1 1 34 PHE HA H 5.508 12.537 1.988 1.00 . A A . 34 PHE HA 1 1 1 536 1 1 34 PHE HB2 H 3.922 14.017 4.100 1.00 . A A . 34 PHE HB2 1 1 1 537 1 1 34 PHE HB3 H 4.029 14.499 2.411 1.00 . A A . 34 PHE HB3 1 1 1 538 1 1 34 PHE HD1 H 2.889 13.283 0.703 1.00 . A A . 34 PHE HD1 1 1 1 539 1 1 34 PHE HD2 H 2.656 12.059 4.757 1.00 . A A . 34 PHE HD2 1 1 1 540 1 1 34 PHE HE1 H 1.008 11.821 0.150 1.00 . A A . 34 PHE HE1 1 1 1 541 1 1 34 PHE HE2 H 0.768 10.585 4.211 1.00 . A A . 34 PHE HE2 1 1 1 542 1 1 34 PHE HZ H -0.057 10.467 1.898 1.00 . A A . 34 PHE HZ 1 1 1 543 1 1 34 PHE N N 5.501 11.883 3.922 1.00 . A A . 34 PHE N 1 1 1 544 1 1 34 PHE O O 6.607 14.592 4.265 1.00 . A A . 34 PHE O 1 1 1 545 1 1 35 THR C C 9.086 15.249 1.035 1.00 . A A . 35 THR C 1 1 1 546 1 1 35 THR CA C 8.631 14.790 2.415 1.00 . A A . 35 THR CA 1 1 1 547 1 1 35 THR CB C 9.767 13.987 3.138 1.00 . A A . 35 THR CB 1 1 1 548 1 1 35 THR CG2 C 10.099 12.693 2.392 1.00 . A A . 35 THR CG2 1 1 1 549 1 1 35 THR H H 7.339 13.458 1.463 1.00 . A A . 35 THR H 1 1 1 550 1 1 35 THR HA H 8.384 15.654 3.014 1.00 . A A . 35 THR HA 1 1 1 551 1 1 35 THR HB H 9.401 13.728 4.122 1.00 . A A . 35 THR HB 1 1 1 552 1 1 35 THR HG1 H 11.357 14.943 2.440 1.00 . A A . 35 THR HG1 1 1 1 553 1 1 35 THR HG21 H 10.419 12.928 1.388 1.00 . A A . 35 THR HG21 1 1 1 554 1 1 35 THR HG22 H 9.220 12.067 2.349 1.00 . A A . 35 THR HG22 1 1 1 555 1 1 35 THR HG23 H 10.888 12.170 2.910 1.00 . A A . 35 THR HG23 1 1 1 556 1 1 35 THR N N 7.453 13.976 2.290 1.00 . A A . 35 THR N 1 1 1 557 1 1 35 THR O O 8.709 14.639 0.013 1.00 . A A . 35 THR O 1 1 1 558 1 1 35 THR OG1 O 10.963 14.775 3.308 1.00 . A A . 35 THR OG1 1 1 2 559 1 1 1 ASP C C 6.548 -10.044 1.241 1.00 . A A . 1 ASP C 1 1 2 560 1 1 1 ASP CA C 6.924 -11.492 1.164 1.00 . A A . 1 ASP CA 1 1 2 561 1 1 1 ASP CB C 6.437 -12.064 -0.187 1.00 . A A . 1 ASP CB 1 1 2 562 1 1 1 ASP CG C 4.972 -11.794 -0.460 1.00 . A A . 1 ASP CG 1 1 2 563 1 1 1 ASP H1 H 6.675 -11.774 3.177 1.00 . A A . 1 ASP H1 1 1 2 564 1 1 1 ASP H2 H 6.496 -13.202 2.269 1.00 . A A . 1 ASP H2 1 1 2 565 1 1 1 ASP H3 H 5.279 -12.026 2.281 1.00 . A A . 1 ASP H3 1 1 2 566 1 1 1 ASP HA H 7.994 -11.598 1.241 1.00 . A A . 1 ASP HA 1 1 2 567 1 1 1 ASP HB2 H 7.011 -11.621 -0.987 1.00 . A A . 1 ASP HB2 1 1 2 568 1 1 1 ASP HB3 H 6.595 -13.133 -0.190 1.00 . A A . 1 ASP HB3 1 1 2 569 1 1 1 ASP N N 6.308 -12.180 2.294 1.00 . A A . 1 ASP N 1 1 2 570 1 1 1 ASP O O 5.462 -9.711 1.730 1.00 . A A . 1 ASP O 1 1 2 571 1 1 1 ASP OD1 O 4.120 -12.577 -0.010 1.00 . A A . 1 ASP OD1 1 1 2 572 1 1 1 ASP OD2 O 4.645 -10.778 -1.119 1.00 . A A . 1 ASP OD2 1 1 2 573 1 1 2 CYS C C 6.992 -7.351 -0.628 1.00 . A A . 2 CYS C 1 1 2 574 1 1 2 CYS CA C 7.111 -7.809 0.782 1.00 . A A . 2 CYS CA 1 1 2 575 1 1 2 CYS CB C 8.138 -6.980 1.503 1.00 . A A . 2 CYS CB 1 1 2 576 1 1 2 CYS H H 8.338 -9.428 0.571 1.00 . A A . 2 CYS H 1 1 2 577 1 1 2 CYS HA H 6.157 -7.645 1.260 1.00 . A A . 2 CYS HA 1 1 2 578 1 1 2 CYS HB2 H 7.860 -5.963 1.284 1.00 . A A . 2 CYS HB2 1 1 2 579 1 1 2 CYS HB3 H 8.073 -7.132 2.563 1.00 . A A . 2 CYS HB3 1 1 2 580 1 1 2 CYS N N 7.424 -9.180 0.832 1.00 . A A . 2 CYS N 1 1 2 581 1 1 2 CYS O O 7.484 -7.999 -1.570 1.00 . A A . 2 CYS O 1 1 2 582 1 1 2 CYS SG S 9.858 -7.161 0.920 1.00 . A A . 2 CYS SG 1 1 2 583 1 1 3 ARG C C 7.187 -4.577 -2.214 1.00 . A A . 3 ARG C 1 1 2 584 1 1 3 ARG CA C 6.140 -5.644 -2.037 1.00 . A A . 3 ARG CA 1 1 2 585 1 1 3 ARG CB C 4.725 -5.048 -2.168 1.00 . A A . 3 ARG CB 1 1 2 586 1 1 3 ARG CD C 3.421 -7.237 -1.880 1.00 . A A . 3 ARG CD 1 1 2 587 1 1 3 ARG CG C 3.680 -6.003 -2.742 1.00 . A A . 3 ARG CG 1 1 2 588 1 1 3 ARG CZ C 2.390 -7.870 0.309 1.00 . A A . 3 ARG CZ 1 1 2 589 1 1 3 ARG H H 5.922 -5.900 0.041 1.00 . A A . 3 ARG H 1 1 2 590 1 1 3 ARG HA H 6.273 -6.392 -2.805 1.00 . A A . 3 ARG HA 1 1 2 591 1 1 3 ARG HB2 H 4.395 -4.745 -1.184 1.00 . A A . 3 ARG HB2 1 1 2 592 1 1 3 ARG HB3 H 4.774 -4.172 -2.797 1.00 . A A . 3 ARG HB3 1 1 2 593 1 1 3 ARG HD2 H 2.875 -7.941 -2.487 1.00 . A A . 3 ARG HD2 1 1 2 594 1 1 3 ARG HD3 H 4.375 -7.660 -1.601 1.00 . A A . 3 ARG HD3 1 1 2 595 1 1 3 ARG HE H 2.232 -6.065 -0.646 1.00 . A A . 3 ARG HE 1 1 2 596 1 1 3 ARG HG2 H 2.748 -5.470 -2.858 1.00 . A A . 3 ARG HG2 1 1 2 597 1 1 3 ARG HG3 H 4.028 -6.319 -3.714 1.00 . A A . 3 ARG HG3 1 1 2 598 1 1 3 ARG HH11 H 3.623 -9.380 -0.417 1.00 . A A . 3 ARG HH11 1 1 2 599 1 1 3 ARG HH12 H 2.806 -9.738 1.015 1.00 . A A . 3 ARG HH12 1 1 2 600 1 1 3 ARG HH21 H 1.072 -6.715 1.428 1.00 . A A . 3 ARG HH21 1 1 2 601 1 1 3 ARG HH22 H 1.380 -8.252 2.029 1.00 . A A . 3 ARG HH22 1 1 2 602 1 1 3 ARG N N 6.319 -6.287 -0.775 1.00 . A A . 3 ARG N 1 1 2 603 1 1 3 ARG NE N 2.632 -6.965 -0.668 1.00 . A A . 3 ARG NE 1 1 2 604 1 1 3 ARG NH1 N 2.979 -9.063 0.290 1.00 . A A . 3 ARG NH1 1 1 2 605 1 1 3 ARG NH2 N 1.570 -7.584 1.305 1.00 . A A . 3 ARG NH2 1 1 2 606 1 1 3 ARG O O 7.474 -3.813 -1.271 1.00 . A A . 3 ARG O 1 1 2 607 1 1 4 TYR C C 8.038 -2.331 -4.236 1.00 . A A . 4 TYR C 1 1 2 608 1 1 4 TYR CA C 8.747 -3.562 -3.706 1.00 . A A . 4 TYR CA 1 1 2 609 1 1 4 TYR CB C 9.749 -4.098 -4.711 1.00 . A A . 4 TYR CB 1 1 2 610 1 1 4 TYR CD1 C 10.818 -6.384 -4.606 1.00 . A A . 4 TYR CD1 1 1 2 611 1 1 4 TYR CD2 C 11.631 -4.692 -3.138 1.00 . A A . 4 TYR CD2 1 1 2 612 1 1 4 TYR CE1 C 11.739 -7.272 -4.083 1.00 . A A . 4 TYR CE1 1 1 2 613 1 1 4 TYR CE2 C 12.547 -5.573 -2.617 1.00 . A A . 4 TYR CE2 1 1 2 614 1 1 4 TYR CG C 10.747 -5.080 -4.144 1.00 . A A . 4 TYR CG 1 1 2 615 1 1 4 TYR CZ C 12.600 -6.855 -3.090 1.00 . A A . 4 TYR CZ 1 1 2 616 1 1 4 TYR H H 7.621 -5.200 -4.090 1.00 . A A . 4 TYR H 1 1 2 617 1 1 4 TYR HA H 9.269 -3.304 -2.798 1.00 . A A . 4 TYR HA 1 1 2 618 1 1 4 TYR HB2 H 9.208 -4.557 -5.521 1.00 . A A . 4 TYR HB2 1 1 2 619 1 1 4 TYR HB3 H 10.289 -3.274 -5.128 1.00 . A A . 4 TYR HB3 1 1 2 620 1 1 4 TYR HD1 H 10.142 -6.703 -5.385 1.00 . A A . 4 TYR HD1 1 1 2 621 1 1 4 TYR HD2 H 11.598 -3.686 -2.746 1.00 . A A . 4 TYR HD2 1 1 2 622 1 1 4 TYR HE1 H 11.783 -8.286 -4.454 1.00 . A A . 4 TYR HE1 1 1 2 623 1 1 4 TYR HE2 H 13.224 -5.252 -1.839 1.00 . A A . 4 TYR HE2 1 1 2 624 1 1 4 TYR HH H 13.995 -8.127 -3.294 1.00 . A A . 4 TYR HH 1 1 2 625 1 1 4 TYR N N 7.797 -4.551 -3.381 1.00 . A A . 4 TYR N 1 1 2 626 1 1 4 TYR O O 6.818 -2.192 -4.077 1.00 . A A . 4 TYR O 1 1 2 627 1 1 4 TYR OH O 13.512 -7.734 -2.557 1.00 . A A . 4 TYR OH 1 1 2 628 1 1 5 MET C C 7.196 -0.515 -6.406 1.00 . A A . 5 MET C 1 1 2 629 1 1 5 MET CA C 8.210 -0.204 -5.327 1.00 . A A . 5 MET CA 1 1 2 630 1 1 5 MET CB C 9.283 0.726 -5.880 1.00 . A A . 5 MET CB 1 1 2 631 1 1 5 MET CE C 9.351 4.822 -6.271 1.00 . A A . 5 MET CE 1 1 2 632 1 1 5 MET CG C 8.835 2.164 -5.954 1.00 . A A . 5 MET CG 1 1 2 633 1 1 5 MET H H 9.728 -1.619 -5.005 1.00 . A A . 5 MET H 1 1 2 634 1 1 5 MET HA H 7.682 0.286 -4.520 1.00 . A A . 5 MET HA 1 1 2 635 1 1 5 MET HB2 H 10.172 0.678 -5.271 1.00 . A A . 5 MET HB2 1 1 2 636 1 1 5 MET HB3 H 9.530 0.406 -6.880 1.00 . A A . 5 MET HB3 1 1 2 637 1 1 5 MET HE1 H 9.378 4.865 -5.191 1.00 . A A . 5 MET HE1 1 1 2 638 1 1 5 MET HE2 H 8.335 4.909 -6.624 1.00 . A A . 5 MET HE2 1 1 2 639 1 1 5 MET HE3 H 9.965 5.614 -6.672 1.00 . A A . 5 MET HE3 1 1 2 640 1 1 5 MET HG2 H 7.917 2.212 -6.521 1.00 . A A . 5 MET HG2 1 1 2 641 1 1 5 MET HG3 H 8.653 2.514 -4.950 1.00 . A A . 5 MET HG3 1 1 2 642 1 1 5 MET N N 8.779 -1.437 -4.846 1.00 . A A . 5 MET N 1 1 2 643 1 1 5 MET O O 7.451 -1.346 -7.272 1.00 . A A . 5 MET O 1 1 2 644 1 1 5 MET SD S 10.040 3.240 -6.730 1.00 . A A . 5 MET SD 1 1 2 645 1 1 6 PHE C C 4.105 -1.292 -6.904 1.00 . A A . 6 PHE C 1 1 2 646 1 1 6 PHE CA C 4.892 -0.019 -7.205 1.00 . A A . 6 PHE CA 1 1 2 647 1 1 6 PHE CB C 5.263 0.085 -8.698 1.00 . A A . 6 PHE CB 1 1 2 648 1 1 6 PHE CD1 C 5.319 2.547 -9.171 1.00 . A A . 6 PHE CD1 1 1 2 649 1 1 6 PHE CD2 C 7.364 1.336 -9.224 1.00 . A A . 6 PHE CD2 1 1 2 650 1 1 6 PHE CE1 C 6.001 3.706 -9.476 1.00 . A A . 6 PHE CE1 1 1 2 651 1 1 6 PHE CE2 C 8.046 2.480 -9.525 1.00 . A A . 6 PHE CE2 1 1 2 652 1 1 6 PHE CG C 5.994 1.350 -9.041 1.00 . A A . 6 PHE CG 1 1 2 653 1 1 6 PHE CZ C 7.368 3.669 -9.652 1.00 . A A . 6 PHE CZ 1 1 2 654 1 1 6 PHE H H 5.954 0.763 -5.549 1.00 . A A . 6 PHE H 1 1 2 655 1 1 6 PHE HA H 4.238 0.803 -6.954 1.00 . A A . 6 PHE HA 1 1 2 656 1 1 6 PHE HB2 H 5.895 -0.749 -8.962 1.00 . A A . 6 PHE HB2 1 1 2 657 1 1 6 PHE HB3 H 4.361 0.045 -9.290 1.00 . A A . 6 PHE HB3 1 1 2 658 1 1 6 PHE HD1 H 4.249 2.570 -9.030 1.00 . A A . 6 PHE HD1 1 1 2 659 1 1 6 PHE HD2 H 7.900 0.405 -9.124 1.00 . A A . 6 PHE HD2 1 1 2 660 1 1 6 PHE HE1 H 5.466 4.639 -9.577 1.00 . A A . 6 PHE HE1 1 1 2 661 1 1 6 PHE HE2 H 9.118 2.440 -9.652 1.00 . A A . 6 PHE HE2 1 1 2 662 1 1 6 PHE HZ H 7.911 4.569 -9.894 1.00 . A A . 6 PHE HZ 1 1 2 663 1 1 6 PHE N N 6.043 0.134 -6.302 1.00 . A A . 6 PHE N 1 1 2 664 1 1 6 PHE O O 3.110 -1.596 -7.576 1.00 . A A . 6 PHE O 1 1 2 665 1 1 7 GLY C C 2.624 -2.733 -4.643 1.00 . A A . 7 GLY C 1 1 2 666 1 1 7 GLY CA C 3.811 -3.184 -5.446 1.00 . A A . 7 GLY CA 1 1 2 667 1 1 7 GLY H H 5.382 -1.804 -5.438 1.00 . A A . 7 GLY H 1 1 2 668 1 1 7 GLY HA2 H 3.476 -3.751 -6.303 1.00 . A A . 7 GLY HA2 1 1 2 669 1 1 7 GLY HA3 H 4.439 -3.806 -4.826 1.00 . A A . 7 GLY HA3 1 1 2 670 1 1 7 GLY N N 4.544 -2.029 -5.896 1.00 . A A . 7 GLY N 1 1 2 671 1 1 7 GLY O O 2.657 -1.645 -4.072 1.00 . A A . 7 GLY O 1 1 2 672 1 1 8 ASP C C 0.462 -3.195 -2.452 1.00 . A A . 8 ASP C 1 1 2 673 1 1 8 ASP CA C 0.347 -3.164 -3.936 1.00 . A A . 8 ASP CA 1 1 2 674 1 1 8 ASP CB C -0.766 -4.071 -4.394 1.00 . A A . 8 ASP CB 1 1 2 675 1 1 8 ASP CG C -2.106 -3.786 -3.768 1.00 . A A . 8 ASP CG 1 1 2 676 1 1 8 ASP H H 1.676 -4.440 -4.977 1.00 . A A . 8 ASP H 1 1 2 677 1 1 8 ASP HA H 0.108 -2.156 -4.240 1.00 . A A . 8 ASP HA 1 1 2 678 1 1 8 ASP HB2 H -0.847 -3.851 -5.440 1.00 . A A . 8 ASP HB2 1 1 2 679 1 1 8 ASP HB3 H -0.492 -5.104 -4.240 1.00 . A A . 8 ASP HB3 1 1 2 680 1 1 8 ASP N N 1.603 -3.539 -4.590 1.00 . A A . 8 ASP N 1 1 2 681 1 1 8 ASP O O 1.152 -4.062 -1.881 1.00 . A A . 8 ASP O 1 1 2 682 1 1 8 ASP OD1 O -2.512 -4.511 -2.836 1.00 . A A . 8 ASP OD1 1 1 2 683 1 1 8 ASP OD2 O -2.809 -2.865 -4.227 1.00 . A A . 8 ASP OD2 1 1 2 684 1 1 9 CYS C C -1.361 -1.602 0.184 1.00 . A A . 9 CYS C 1 1 2 685 1 1 9 CYS CA C -0.105 -2.189 -0.408 1.00 . A A . 9 CYS CA 1 1 2 686 1 1 9 CYS CB C 1.096 -1.331 -0.049 1.00 . A A . 9 CYS CB 1 1 2 687 1 1 9 CYS H H -0.754 -1.626 -2.299 1.00 . A A . 9 CYS H 1 1 2 688 1 1 9 CYS HA H 0.069 -3.182 -0.025 1.00 . A A . 9 CYS HA 1 1 2 689 1 1 9 CYS HB2 H 1.321 -1.391 1.003 1.00 . A A . 9 CYS HB2 1 1 2 690 1 1 9 CYS HB3 H 1.892 -1.760 -0.642 1.00 . A A . 9 CYS HB3 1 1 2 691 1 1 9 CYS N N -0.194 -2.274 -1.815 1.00 . A A . 9 CYS N 1 1 2 692 1 1 9 CYS O O -2.120 -0.903 -0.503 1.00 . A A . 9 CYS O 1 1 2 693 1 1 9 CYS SG S 0.950 0.431 -0.539 1.00 . A A . 9 CYS SG 1 1 2 694 1 1 10 GLU C C -2.008 -0.533 3.306 1.00 . A A . 10 GLU C 1 1 2 695 1 1 10 GLU CA C -2.661 -1.341 2.204 1.00 . A A . 10 GLU CA 1 1 2 696 1 1 10 GLU CB C -3.559 -2.411 2.817 1.00 . A A . 10 GLU CB 1 1 2 697 1 1 10 GLU CD C -5.300 -2.354 1.023 1.00 . A A . 10 GLU CD 1 1 2 698 1 1 10 GLU CG C -4.354 -3.217 1.811 1.00 . A A . 10 GLU CG 1 1 2 699 1 1 10 GLU H H -1.056 -2.627 1.868 1.00 . A A . 10 GLU H 1 1 2 700 1 1 10 GLU HA H -3.240 -0.692 1.565 1.00 . A A . 10 GLU HA 1 1 2 701 1 1 10 GLU HB2 H -2.940 -3.089 3.383 1.00 . A A . 10 GLU HB2 1 1 2 702 1 1 10 GLU HB3 H -4.251 -1.930 3.493 1.00 . A A . 10 GLU HB3 1 1 2 703 1 1 10 GLU HG2 H -3.666 -3.692 1.125 1.00 . A A . 10 GLU HG2 1 1 2 704 1 1 10 GLU HG3 H -4.923 -3.973 2.333 1.00 . A A . 10 GLU HG3 1 1 2 705 1 1 10 GLU N N -1.608 -1.937 1.429 1.00 . A A . 10 GLU N 1 1 2 706 1 1 10 GLU O O -2.471 0.554 3.678 1.00 . A A . 10 GLU O 1 1 2 707 1 1 10 GLU OE1 O -6.313 -1.895 1.589 1.00 . A A . 10 GLU OE1 1 1 2 708 1 1 10 GLU OE2 O -5.059 -2.117 -0.179 1.00 . A A . 10 GLU OE2 1 1 2 709 1 1 11 LYS C C 1.326 -0.711 4.558 1.00 . A A . 11 LYS C 1 1 2 710 1 1 11 LYS CA C -0.139 -0.466 4.841 1.00 . A A . 11 LYS CA 1 1 2 711 1 1 11 LYS CB C -0.565 -0.988 6.211 1.00 . A A . 11 LYS CB 1 1 2 712 1 1 11 LYS CD C -1.118 -2.947 7.685 1.00 . A A . 11 LYS CD 1 1 2 713 1 1 11 LYS CE C -2.604 -2.592 7.798 1.00 . A A . 11 LYS CE 1 1 2 714 1 1 11 LYS CG C -0.533 -2.500 6.354 1.00 . A A . 11 LYS CG 1 1 2 715 1 1 11 LYS H H -0.573 -1.930 3.468 1.00 . A A . 11 LYS H 1 1 2 716 1 1 11 LYS HA H -0.319 0.595 4.796 1.00 . A A . 11 LYS HA 1 1 2 717 1 1 11 LYS HB2 H 0.085 -0.559 6.957 1.00 . A A . 11 LYS HB2 1 1 2 718 1 1 11 LYS HB3 H -1.569 -0.640 6.391 1.00 . A A . 11 LYS HB3 1 1 2 719 1 1 11 LYS HD2 H -1.002 -4.017 7.760 1.00 . A A . 11 LYS HD2 1 1 2 720 1 1 11 LYS HD3 H -0.573 -2.470 8.484 1.00 . A A . 11 LYS HD3 1 1 2 721 1 1 11 LYS HE2 H -2.729 -1.525 7.695 1.00 . A A . 11 LYS HE2 1 1 2 722 1 1 11 LYS HE3 H -3.143 -3.092 7.008 1.00 . A A . 11 LYS HE3 1 1 2 723 1 1 11 LYS HG2 H -1.110 -2.933 5.551 1.00 . A A . 11 LYS HG2 1 1 2 724 1 1 11 LYS HG3 H 0.491 -2.834 6.284 1.00 . A A . 11 LYS HG3 1 1 2 725 1 1 11 LYS HZ1 H -2.658 -2.558 9.888 1.00 . A A . 11 LYS HZ1 1 1 2 726 1 1 11 LYS HZ2 H -3.171 -4.025 9.210 1.00 . A A . 11 LYS HZ2 1 1 2 727 1 1 11 LYS HZ3 H -4.161 -2.673 9.149 1.00 . A A . 11 LYS HZ3 1 1 2 728 1 1 11 LYS N N -0.914 -1.068 3.808 1.00 . A A . 11 LYS N 1 1 2 729 1 1 11 LYS NZ N -3.174 -2.992 9.095 1.00 . A A . 11 LYS NZ 1 1 2 730 1 1 11 LYS O O 1.663 -1.396 3.593 1.00 . A A . 11 LYS O 1 1 2 731 1 1 12 ASP C C 4.167 -1.661 5.322 1.00 . A A . 12 ASP C 1 1 2 732 1 1 12 ASP CA C 3.646 -0.260 5.141 1.00 . A A . 12 ASP CA 1 1 2 733 1 1 12 ASP CB C 4.438 0.694 6.039 1.00 . A A . 12 ASP CB 1 1 2 734 1 1 12 ASP CG C 4.002 2.123 5.923 1.00 . A A . 12 ASP CG 1 1 2 735 1 1 12 ASP H H 1.873 0.221 6.225 1.00 . A A . 12 ASP H 1 1 2 736 1 1 12 ASP HA H 3.802 0.025 4.111 1.00 . A A . 12 ASP HA 1 1 2 737 1 1 12 ASP HB2 H 4.326 0.390 7.068 1.00 . A A . 12 ASP HB2 1 1 2 738 1 1 12 ASP HB3 H 5.483 0.631 5.769 1.00 . A A . 12 ASP HB3 1 1 2 739 1 1 12 ASP N N 2.195 -0.191 5.394 1.00 . A A . 12 ASP N 1 1 2 740 1 1 12 ASP O O 5.228 -2.001 4.817 1.00 . A A . 12 ASP O 1 1 2 741 1 1 12 ASP OD1 O 3.460 2.672 6.922 1.00 . A A . 12 ASP OD1 1 1 2 742 1 1 12 ASP OD2 O 4.149 2.729 4.851 1.00 . A A . 12 ASP OD2 1 1 2 743 1 1 13 GLU C C 3.815 -4.662 4.989 1.00 . A A . 13 GLU C 1 1 2 744 1 1 13 GLU CA C 3.740 -3.892 6.274 1.00 . A A . 13 GLU CA 1 1 2 745 1 1 13 GLU CB C 2.688 -4.567 7.127 1.00 . A A . 13 GLU CB 1 1 2 746 1 1 13 GLU CD C 3.647 -3.530 9.202 1.00 . A A . 13 GLU CD 1 1 2 747 1 1 13 GLU CG C 2.397 -3.865 8.436 1.00 . A A . 13 GLU CG 1 1 2 748 1 1 13 GLU H H 2.541 -2.124 6.353 1.00 . A A . 13 GLU H 1 1 2 749 1 1 13 GLU HA H 4.686 -3.926 6.791 1.00 . A A . 13 GLU HA 1 1 2 750 1 1 13 GLU HB2 H 1.794 -4.607 6.520 1.00 . A A . 13 GLU HB2 1 1 2 751 1 1 13 GLU HB3 H 3.007 -5.579 7.323 1.00 . A A . 13 GLU HB3 1 1 2 752 1 1 13 GLU HG2 H 1.848 -2.959 8.233 1.00 . A A . 13 GLU HG2 1 1 2 753 1 1 13 GLU HG3 H 1.786 -4.516 9.041 1.00 . A A . 13 GLU HG3 1 1 2 754 1 1 13 GLU N N 3.383 -2.489 6.009 1.00 . A A . 13 GLU N 1 1 2 755 1 1 13 GLU O O 4.515 -5.672 4.883 1.00 . A A . 13 GLU O 1 1 2 756 1 1 13 GLU OE1 O 4.265 -4.444 9.787 1.00 . A A . 13 GLU OE1 1 1 2 757 1 1 13 GLU OE2 O 4.027 -2.338 9.250 1.00 . A A . 13 GLU OE2 1 1 2 758 1 1 14 ASP C C 4.282 -4.594 1.985 1.00 . A A . 14 ASP C 1 1 2 759 1 1 14 ASP CA C 3.004 -4.820 2.748 1.00 . A A . 14 ASP CA 1 1 2 760 1 1 14 ASP CB C 1.825 -4.278 1.948 1.00 . A A . 14 ASP CB 1 1 2 761 1 1 14 ASP CG C 0.485 -4.562 2.573 1.00 . A A . 14 ASP CG 1 1 2 762 1 1 14 ASP H H 2.564 -3.367 4.185 1.00 . A A . 14 ASP H 1 1 2 763 1 1 14 ASP HA H 2.860 -5.879 2.899 1.00 . A A . 14 ASP HA 1 1 2 764 1 1 14 ASP HB2 H 1.928 -3.213 1.814 1.00 . A A . 14 ASP HB2 1 1 2 765 1 1 14 ASP HB3 H 1.856 -4.770 0.992 1.00 . A A . 14 ASP HB3 1 1 2 766 1 1 14 ASP N N 3.077 -4.189 4.026 1.00 . A A . 14 ASP N 1 1 2 767 1 1 14 ASP O O 4.713 -5.433 1.209 1.00 . A A . 14 ASP O 1 1 2 768 1 1 14 ASP OD1 O 0.051 -5.713 2.533 1.00 . A A . 14 ASP OD1 1 1 2 769 1 1 14 ASP OD2 O -0.173 -3.637 3.084 1.00 . A A . 14 ASP OD2 1 1 2 770 1 1 15 CYS C C 7.331 -3.599 2.293 1.00 . A A . 15 CYS C 1 1 2 771 1 1 15 CYS CA C 6.102 -3.091 1.568 1.00 . A A . 15 CYS CA 1 1 2 772 1 1 15 CYS CB C 6.149 -1.581 1.508 1.00 . A A . 15 CYS CB 1 1 2 773 1 1 15 CYS H H 4.581 -2.923 2.983 1.00 . A A . 15 CYS H 1 1 2 774 1 1 15 CYS HA H 6.073 -3.476 0.558 1.00 . A A . 15 CYS HA 1 1 2 775 1 1 15 CYS HB2 H 6.344 -1.197 2.497 1.00 . A A . 15 CYS HB2 1 1 2 776 1 1 15 CYS HB3 H 6.953 -1.285 0.853 1.00 . A A . 15 CYS HB3 1 1 2 777 1 1 15 CYS N N 4.909 -3.494 2.257 1.00 . A A . 15 CYS N 1 1 2 778 1 1 15 CYS O O 7.257 -4.020 3.451 1.00 . A A . 15 CYS O 1 1 2 779 1 1 15 CYS SG S 4.617 -0.847 0.875 1.00 . A A . 15 CYS SG 1 1 2 780 1 1 16 CYS C C 10.230 -2.898 3.142 1.00 . A A . 16 CYS C 1 1 2 781 1 1 16 CYS CA C 9.706 -3.978 2.168 1.00 . A A . 16 CYS CA 1 1 2 782 1 1 16 CYS CB C 10.696 -4.223 1.045 1.00 . A A . 16 CYS CB 1 1 2 783 1 1 16 CYS H H 8.411 -3.409 0.643 1.00 . A A . 16 CYS H 1 1 2 784 1 1 16 CYS HA H 9.568 -4.900 2.711 1.00 . A A . 16 CYS HA 1 1 2 785 1 1 16 CYS HB2 H 10.921 -3.290 0.558 1.00 . A A . 16 CYS HB2 1 1 2 786 1 1 16 CYS HB3 H 11.621 -4.571 1.463 1.00 . A A . 16 CYS HB3 1 1 2 787 1 1 16 CYS N N 8.438 -3.608 1.601 1.00 . A A . 16 CYS N 1 1 2 788 1 1 16 CYS O O 9.618 -1.823 3.298 1.00 . A A . 16 CYS O 1 1 2 789 1 1 16 CYS SG S 10.152 -5.473 -0.174 1.00 . A A . 16 CYS SG 1 1 2 790 1 1 17 LYS C C 12.230 -0.937 4.337 1.00 . A A . 17 LYS C 1 1 2 791 1 1 17 LYS CA C 11.983 -2.345 4.798 1.00 . A A . 17 LYS CA 1 1 2 792 1 1 17 LYS CB C 13.317 -2.937 5.232 1.00 . A A . 17 LYS CB 1 1 2 793 1 1 17 LYS CD C 12.546 -4.231 7.225 1.00 . A A . 17 LYS CD 1 1 2 794 1 1 17 LYS CE C 12.520 -5.588 7.914 1.00 . A A . 17 LYS CE 1 1 2 795 1 1 17 LYS CG C 13.243 -4.289 5.876 1.00 . A A . 17 LYS CG 1 1 2 796 1 1 17 LYS H H 11.846 -3.982 3.432 1.00 . A A . 17 LYS H 1 1 2 797 1 1 17 LYS HA H 11.330 -2.328 5.654 1.00 . A A . 17 LYS HA 1 1 2 798 1 1 17 LYS HB2 H 13.947 -3.034 4.361 1.00 . A A . 17 LYS HB2 1 1 2 799 1 1 17 LYS HB3 H 13.786 -2.254 5.924 1.00 . A A . 17 LYS HB3 1 1 2 800 1 1 17 LYS HD2 H 13.065 -3.527 7.858 1.00 . A A . 17 LYS HD2 1 1 2 801 1 1 17 LYS HD3 H 11.532 -3.891 7.073 1.00 . A A . 17 LYS HD3 1 1 2 802 1 1 17 LYS HE2 H 11.946 -5.507 8.824 1.00 . A A . 17 LYS HE2 1 1 2 803 1 1 17 LYS HE3 H 12.041 -6.291 7.250 1.00 . A A . 17 LYS HE3 1 1 2 804 1 1 17 LYS HG2 H 12.695 -4.935 5.207 1.00 . A A . 17 LYS HG2 1 1 2 805 1 1 17 LYS HG3 H 14.257 -4.640 5.984 1.00 . A A . 17 LYS HG3 1 1 2 806 1 1 17 LYS HZ1 H 14.371 -5.398 8.853 1.00 . A A . 17 LYS HZ1 1 1 2 807 1 1 17 LYS HZ2 H 14.439 -6.238 7.383 1.00 . A A . 17 LYS HZ2 1 1 2 808 1 1 17 LYS HZ3 H 13.818 -6.987 8.748 1.00 . A A . 17 LYS HZ3 1 1 2 809 1 1 17 LYS N N 11.375 -3.180 3.745 1.00 . A A . 17 LYS N 1 1 2 810 1 1 17 LYS NZ N 13.875 -6.080 8.243 1.00 . A A . 17 LYS NZ 1 1 2 811 1 1 17 LYS O O 11.743 0.024 4.927 1.00 . A A . 17 LYS O 1 1 2 812 1 1 18 HIS C C 12.253 1.149 1.924 1.00 . A A . 18 HIS C 1 1 2 813 1 1 18 HIS CA C 13.376 0.458 2.711 1.00 . A A . 18 HIS CA 1 1 2 814 1 1 18 HIS CB C 14.623 0.292 1.808 1.00 . A A . 18 HIS CB 1 1 2 815 1 1 18 HIS CD2 C 16.219 -1.205 3.215 1.00 . A A . 18 HIS CD2 1 1 2 816 1 1 18 HIS CE1 C 17.947 0.090 3.303 1.00 . A A . 18 HIS CE1 1 1 2 817 1 1 18 HIS CG C 15.893 -0.079 2.538 1.00 . A A . 18 HIS CG 1 1 2 818 1 1 18 HIS H H 13.251 -1.688 2.881 1.00 . A A . 18 HIS H 1 1 2 819 1 1 18 HIS HA H 13.647 1.092 3.541 1.00 . A A . 18 HIS HA 1 1 2 820 1 1 18 HIS HB2 H 14.431 -0.478 1.075 1.00 . A A . 18 HIS HB2 1 1 2 821 1 1 18 HIS HB3 H 14.798 1.223 1.290 1.00 . A A . 18 HIS HB3 1 1 2 822 1 1 18 HIS HD1 H 17.095 1.627 2.211 1.00 . A A . 18 HIS HD1 1 1 2 823 1 1 18 HIS HD2 H 15.575 -2.057 3.368 1.00 . A A . 18 HIS HD2 1 1 2 824 1 1 18 HIS HE1 H 18.929 0.488 3.516 1.00 . A A . 18 HIS HE1 1 1 2 825 1 1 18 HIS N N 12.965 -0.834 3.278 1.00 . A A . 18 HIS N 1 1 2 826 1 1 18 HIS ND1 N 17.007 0.732 2.606 1.00 . A A . 18 HIS ND1 1 1 2 827 1 1 18 HIS NE2 N 17.520 -1.094 3.698 1.00 . A A . 18 HIS NE2 1 1 2 828 1 1 18 HIS O O 12.515 2.058 1.145 1.00 . A A . 18 HIS O 1 1 2 829 1 1 19 LEU C C 8.777 1.733 2.366 1.00 . A A . 19 LEU C 1 1 2 830 1 1 19 LEU CA C 9.899 1.311 1.421 1.00 . A A . 19 LEU CA 1 1 2 831 1 1 19 LEU CB C 9.377 0.248 0.439 1.00 . A A . 19 LEU CB 1 1 2 832 1 1 19 LEU CD1 C 9.837 -1.465 -1.302 1.00 . A A . 19 LEU CD1 1 1 2 833 1 1 19 LEU CD2 C 10.565 0.807 -1.692 1.00 . A A . 19 LEU CD2 1 1 2 834 1 1 19 LEU CG C 10.358 -0.240 -0.637 1.00 . A A . 19 LEU CG 1 1 2 835 1 1 19 LEU H H 10.830 0.125 2.882 1.00 . A A . 19 LEU H 1 1 2 836 1 1 19 LEU HA H 10.213 2.184 0.865 1.00 . A A . 19 LEU HA 1 1 2 837 1 1 19 LEU HB2 H 9.062 -0.608 1.016 1.00 . A A . 19 LEU HB2 1 1 2 838 1 1 19 LEU HB3 H 8.509 0.656 -0.058 1.00 . A A . 19 LEU HB3 1 1 2 839 1 1 19 LEU HD11 H 9.672 -2.247 -0.578 1.00 . A A . 19 LEU HD11 1 1 2 840 1 1 19 LEU HD12 H 10.573 -1.775 -2.031 1.00 . A A . 19 LEU HD12 1 1 2 841 1 1 19 LEU HD13 H 8.913 -1.225 -1.809 1.00 . A A . 19 LEU HD13 1 1 2 842 1 1 19 LEU HD21 H 11.196 0.403 -2.470 1.00 . A A . 19 LEU HD21 1 1 2 843 1 1 19 LEU HD22 H 11.056 1.661 -1.251 1.00 . A A . 19 LEU HD22 1 1 2 844 1 1 19 LEU HD23 H 9.614 1.099 -2.114 1.00 . A A . 19 LEU HD23 1 1 2 845 1 1 19 LEU HG H 11.317 -0.462 -0.192 1.00 . A A . 19 LEU HG 1 1 2 846 1 1 19 LEU N N 11.019 0.770 2.163 1.00 . A A . 19 LEU N 1 1 2 847 1 1 19 LEU O O 8.783 1.401 3.559 1.00 . A A . 19 LEU O 1 1 2 848 1 1 20 GLY C C 5.500 2.905 1.613 1.00 . A A . 20 GLY C 1 1 2 849 1 1 20 GLY CA C 6.683 2.905 2.542 1.00 . A A . 20 GLY CA 1 1 2 850 1 1 20 GLY H H 7.916 2.703 0.872 1.00 . A A . 20 GLY H 1 1 2 851 1 1 20 GLY HA2 H 6.498 2.241 3.374 1.00 . A A . 20 GLY HA2 1 1 2 852 1 1 20 GLY HA3 H 6.844 3.910 2.905 1.00 . A A . 20 GLY HA3 1 1 2 853 1 1 20 GLY N N 7.841 2.460 1.823 1.00 . A A . 20 GLY N 1 1 2 854 1 1 20 GLY O O 5.662 3.127 0.412 1.00 . A A . 20 GLY O 1 1 2 855 1 1 21 CYS C C 2.553 3.924 1.018 1.00 . A A . 21 CYS C 1 1 2 856 1 1 21 CYS CA C 3.158 2.554 1.308 1.00 . A A . 21 CYS CA 1 1 2 857 1 1 21 CYS CB C 2.134 1.639 2.011 1.00 . A A . 21 CYS CB 1 1 2 858 1 1 21 CYS H H 4.267 2.591 3.112 1.00 . A A . 21 CYS H 1 1 2 859 1 1 21 CYS HA H 3.441 2.094 0.373 1.00 . A A . 21 CYS HA 1 1 2 860 1 1 21 CYS HB2 H 2.561 0.652 2.108 1.00 . A A . 21 CYS HB2 1 1 2 861 1 1 21 CYS HB3 H 1.947 2.032 2.999 1.00 . A A . 21 CYS HB3 1 1 2 862 1 1 21 CYS N N 4.347 2.669 2.129 1.00 . A A . 21 CYS N 1 1 2 863 1 1 21 CYS O O 2.362 4.736 1.926 1.00 . A A . 21 CYS O 1 1 2 864 1 1 21 CYS SG S 0.517 1.442 1.170 1.00 . A A . 21 CYS SG 1 1 2 865 1 1 22 LYS C C 0.160 5.153 -0.580 1.00 . A A . 22 LYS C 1 1 2 866 1 1 22 LYS CA C 1.602 5.410 -0.578 1.00 . A A . 22 LYS CA 1 1 2 867 1 1 22 LYS CB C 2.008 6.023 -1.910 1.00 . A A . 22 LYS CB 1 1 2 868 1 1 22 LYS CD C 3.214 7.877 -0.782 1.00 . A A . 22 LYS CD 1 1 2 869 1 1 22 LYS CE C 4.331 8.913 -0.929 1.00 . A A . 22 LYS CE 1 1 2 870 1 1 22 LYS CG C 3.279 6.806 -1.858 1.00 . A A . 22 LYS CG 1 1 2 871 1 1 22 LYS H H 2.584 3.599 -0.952 1.00 . A A . 22 LYS H 1 1 2 872 1 1 22 LYS HA H 1.797 6.126 0.206 1.00 . A A . 22 LYS HA 1 1 2 873 1 1 22 LYS HB2 H 2.130 5.230 -2.632 1.00 . A A . 22 LYS HB2 1 1 2 874 1 1 22 LYS HB3 H 1.216 6.678 -2.244 1.00 . A A . 22 LYS HB3 1 1 2 875 1 1 22 LYS HD2 H 2.245 8.353 -0.830 1.00 . A A . 22 LYS HD2 1 1 2 876 1 1 22 LYS HD3 H 3.287 7.403 0.189 1.00 . A A . 22 LYS HD3 1 1 2 877 1 1 22 LYS HE2 H 4.157 9.466 -1.839 1.00 . A A . 22 LYS HE2 1 1 2 878 1 1 22 LYS HE3 H 4.282 9.586 -0.085 1.00 . A A . 22 LYS HE3 1 1 2 879 1 1 22 LYS HG2 H 4.037 6.095 -1.582 1.00 . A A . 22 LYS HG2 1 1 2 880 1 1 22 LYS HG3 H 3.490 7.250 -2.820 1.00 . A A . 22 LYS HG3 1 1 2 881 1 1 22 LYS HZ1 H 5.878 7.594 -0.279 1.00 . A A . 22 LYS HZ1 1 1 2 882 1 1 22 LYS HZ2 H 6.406 9.057 -0.827 1.00 . A A . 22 LYS HZ2 1 1 2 883 1 1 22 LYS HZ3 H 5.894 7.926 -1.943 1.00 . A A . 22 LYS HZ3 1 1 2 884 1 1 22 LYS N N 2.306 4.215 -0.235 1.00 . A A . 22 LYS N 1 1 2 885 1 1 22 LYS NZ N 5.691 8.319 -1.003 1.00 . A A . 22 LYS NZ 1 1 2 886 1 1 22 LYS O O -0.356 4.451 -1.457 1.00 . A A . 22 LYS O 1 1 2 887 1 1 23 ARG C C -2.697 6.364 -0.515 1.00 . A A . 23 ARG C 1 1 2 888 1 1 23 ARG CA C -1.920 5.627 0.546 1.00 . A A . 23 ARG CA 1 1 2 889 1 1 23 ARG CB C -2.357 6.124 1.925 1.00 . A A . 23 ARG CB 1 1 2 890 1 1 23 ARG CD C -0.551 5.100 3.422 1.00 . A A . 23 ARG CD 1 1 2 891 1 1 23 ARG CG C -2.024 5.222 3.104 1.00 . A A . 23 ARG CG 1 1 2 892 1 1 23 ARG CZ C 0.822 3.855 5.111 1.00 . A A . 23 ARG CZ 1 1 2 893 1 1 23 ARG H H 0.000 6.377 0.943 1.00 . A A . 23 ARG H 1 1 2 894 1 1 23 ARG HA H -2.156 4.580 0.469 1.00 . A A . 23 ARG HA 1 1 2 895 1 1 23 ARG HB2 H -1.886 7.080 2.104 1.00 . A A . 23 ARG HB2 1 1 2 896 1 1 23 ARG HB3 H -3.427 6.273 1.905 1.00 . A A . 23 ARG HB3 1 1 2 897 1 1 23 ARG HD2 H -0.031 4.695 2.566 1.00 . A A . 23 ARG HD2 1 1 2 898 1 1 23 ARG HD3 H -0.169 6.085 3.636 1.00 . A A . 23 ARG HD3 1 1 2 899 1 1 23 ARG HE H -1.187 3.975 5.064 1.00 . A A . 23 ARG HE 1 1 2 900 1 1 23 ARG HG2 H -2.497 5.628 3.981 1.00 . A A . 23 ARG HG2 1 1 2 901 1 1 23 ARG HG3 H -2.409 4.242 2.873 1.00 . A A . 23 ARG HG3 1 1 2 902 1 1 23 ARG HH11 H 1.967 4.668 3.622 1.00 . A A . 23 ARG HH11 1 1 2 903 1 1 23 ARG HH12 H 2.839 3.820 4.815 1.00 . A A . 23 ARG HH12 1 1 2 904 1 1 23 ARG HH21 H 0.050 2.869 6.749 1.00 . A A . 23 ARG HH21 1 1 2 905 1 1 23 ARG HH22 H 1.764 2.875 6.624 1.00 . A A . 23 ARG HH22 1 1 2 906 1 1 23 ARG N N -0.500 5.768 0.354 1.00 . A A . 23 ARG N 1 1 2 907 1 1 23 ARG NE N -0.355 4.246 4.612 1.00 . A A . 23 ARG NE 1 1 2 908 1 1 23 ARG NH1 N 1.939 4.146 4.483 1.00 . A A . 23 ARG NH1 1 1 2 909 1 1 23 ARG NH2 N 0.869 3.143 6.236 1.00 . A A . 23 ARG NH2 1 1 2 910 1 1 23 ARG O O -3.910 6.207 -0.632 1.00 . A A . 23 ARG O 1 1 2 911 1 1 24 LYS C C -2.717 7.103 -3.565 1.00 . A A . 24 LYS C 1 1 2 912 1 1 24 LYS CA C -2.663 7.926 -2.305 1.00 . A A . 24 LYS CA 1 1 2 913 1 1 24 LYS CB C -1.886 9.232 -2.562 1.00 . A A . 24 LYS CB 1 1 2 914 1 1 24 LYS CD C -3.851 10.766 -2.948 1.00 . A A . 24 LYS CD 1 1 2 915 1 1 24 LYS CE C -4.567 11.698 -3.924 1.00 . A A . 24 LYS CE 1 1 2 916 1 1 24 LYS CG C -2.561 10.202 -3.530 1.00 . A A . 24 LYS CG 1 1 2 917 1 1 24 LYS H H -1.030 7.180 -1.179 1.00 . A A . 24 LYS H 1 1 2 918 1 1 24 LYS HA H -3.662 8.162 -1.973 1.00 . A A . 24 LYS HA 1 1 2 919 1 1 24 LYS HB2 H -1.754 9.744 -1.621 1.00 . A A . 24 LYS HB2 1 1 2 920 1 1 24 LYS HB3 H -0.913 8.980 -2.958 1.00 . A A . 24 LYS HB3 1 1 2 921 1 1 24 LYS HD2 H -4.514 9.951 -2.698 1.00 . A A . 24 LYS HD2 1 1 2 922 1 1 24 LYS HD3 H -3.610 11.317 -2.051 1.00 . A A . 24 LYS HD3 1 1 2 923 1 1 24 LYS HE2 H -5.398 12.164 -3.417 1.00 . A A . 24 LYS HE2 1 1 2 924 1 1 24 LYS HE3 H -3.873 12.464 -4.235 1.00 . A A . 24 LYS HE3 1 1 2 925 1 1 24 LYS HG2 H -1.886 11.018 -3.742 1.00 . A A . 24 LYS HG2 1 1 2 926 1 1 24 LYS HG3 H -2.788 9.675 -4.445 1.00 . A A . 24 LYS HG3 1 1 2 927 1 1 24 LYS HZ1 H -5.748 10.249 -4.851 1.00 . A A . 24 LYS HZ1 1 1 2 928 1 1 24 LYS HZ2 H -4.313 10.581 -5.705 1.00 . A A . 24 LYS HZ2 1 1 2 929 1 1 24 LYS HZ3 H -5.590 11.663 -5.729 1.00 . A A . 24 LYS HZ3 1 1 2 930 1 1 24 LYS N N -2.010 7.150 -1.290 1.00 . A A . 24 LYS N 1 1 2 931 1 1 24 LYS NZ N -5.072 10.991 -5.126 1.00 . A A . 24 LYS NZ 1 1 2 932 1 1 24 LYS O O -3.637 7.213 -4.374 1.00 . A A . 24 LYS O 1 1 2 933 1 1 25 MET C C -1.820 4.017 -4.738 1.00 . A A . 25 MET C 1 1 2 934 1 1 25 MET CA C -1.552 5.507 -4.916 1.00 . A A . 25 MET CA 1 1 2 935 1 1 25 MET CB C -0.139 5.743 -5.408 1.00 . A A . 25 MET CB 1 1 2 936 1 1 25 MET CE C -0.427 7.137 -8.344 1.00 . A A . 25 MET CE 1 1 2 937 1 1 25 MET CG C 0.207 7.208 -5.644 1.00 . A A . 25 MET CG 1 1 2 938 1 1 25 MET H H -1.143 6.088 -2.937 1.00 . A A . 25 MET H 1 1 2 939 1 1 25 MET HA H -2.231 5.903 -5.655 1.00 . A A . 25 MET HA 1 1 2 940 1 1 25 MET HB2 H 0.571 5.326 -4.710 1.00 . A A . 25 MET HB2 1 1 2 941 1 1 25 MET HB3 H -0.030 5.219 -6.340 1.00 . A A . 25 MET HB3 1 1 2 942 1 1 25 MET HE1 H 0.627 7.265 -8.539 1.00 . A A . 25 MET HE1 1 1 2 943 1 1 25 MET HE2 H -0.998 7.545 -9.164 1.00 . A A . 25 MET HE2 1 1 2 944 1 1 25 MET HE3 H -0.654 6.087 -8.233 1.00 . A A . 25 MET HE3 1 1 2 945 1 1 25 MET HG2 H 0.118 7.733 -4.705 1.00 . A A . 25 MET HG2 1 1 2 946 1 1 25 MET HG3 H 1.227 7.269 -5.994 1.00 . A A . 25 MET HG3 1 1 2 947 1 1 25 MET N N -1.741 6.244 -3.698 1.00 . A A . 25 MET N 1 1 2 948 1 1 25 MET O O -2.066 3.302 -5.708 1.00 . A A . 25 MET O 1 1 2 949 1 1 25 MET SD S -0.871 8.011 -6.848 1.00 . A A . 25 MET SD 1 1 2 950 1 1 26 LYS C C -0.794 1.321 -3.515 1.00 . A A . 26 LYS C 1 1 2 951 1 1 26 LYS CA C -1.944 2.181 -3.071 1.00 . A A . 26 LYS CA 1 1 2 952 1 1 26 LYS CB C -3.307 1.604 -3.475 1.00 . A A . 26 LYS CB 1 1 2 953 1 1 26 LYS CD C -4.361 2.528 -1.364 1.00 . A A . 26 LYS CD 1 1 2 954 1 1 26 LYS CE C -4.381 1.184 -0.625 1.00 . A A . 26 LYS CE 1 1 2 955 1 1 26 LYS CG C -4.490 2.373 -2.884 1.00 . A A . 26 LYS CG 1 1 2 956 1 1 26 LYS H H -1.557 4.211 -2.771 1.00 . A A . 26 LYS H 1 1 2 957 1 1 26 LYS HA H -1.871 2.188 -1.993 1.00 . A A . 26 LYS HA 1 1 2 958 1 1 26 LYS HB2 H -3.379 1.608 -4.552 1.00 . A A . 26 LYS HB2 1 1 2 959 1 1 26 LYS HB3 H -3.358 0.583 -3.130 1.00 . A A . 26 LYS HB3 1 1 2 960 1 1 26 LYS HD2 H -3.399 2.994 -1.192 1.00 . A A . 26 LYS HD2 1 1 2 961 1 1 26 LYS HD3 H -5.149 3.167 -0.996 1.00 . A A . 26 LYS HD3 1 1 2 962 1 1 26 LYS HE2 H -3.551 0.584 -0.968 1.00 . A A . 26 LYS HE2 1 1 2 963 1 1 26 LYS HE3 H -4.258 1.375 0.430 1.00 . A A . 26 LYS HE3 1 1 2 964 1 1 26 LYS HG2 H -4.524 3.356 -3.333 1.00 . A A . 26 LYS HG2 1 1 2 965 1 1 26 LYS HG3 H -5.402 1.844 -3.110 1.00 . A A . 26 LYS HG3 1 1 2 966 1 1 26 LYS HZ1 H -5.836 0.277 -1.843 1.00 . A A . 26 LYS HZ1 1 1 2 967 1 1 26 LYS HZ2 H -6.450 0.854 -0.363 1.00 . A A . 26 LYS HZ2 1 1 2 968 1 1 26 LYS HZ3 H -5.503 -0.533 -0.418 1.00 . A A . 26 LYS HZ3 1 1 2 969 1 1 26 LYS N N -1.760 3.575 -3.490 1.00 . A A . 26 LYS N 1 1 2 970 1 1 26 LYS NZ N -5.632 0.419 -0.833 1.00 . A A . 26 LYS NZ 1 1 2 971 1 1 26 LYS O O -0.941 0.125 -3.806 1.00 . A A . 26 LYS O 1 1 2 972 1 1 27 TYR C C 2.744 1.599 -3.007 1.00 . A A . 27 TYR C 1 1 2 973 1 1 27 TYR CA C 1.579 1.191 -3.846 1.00 . A A . 27 TYR CA 1 1 2 974 1 1 27 TYR CB C 1.951 1.245 -5.359 1.00 . A A . 27 TYR CB 1 1 2 975 1 1 27 TYR CD1 C 3.530 3.242 -5.542 1.00 . A A . 27 TYR CD1 1 1 2 976 1 1 27 TYR CD2 C 1.614 3.192 -6.945 1.00 . A A . 27 TYR CD2 1 1 2 977 1 1 27 TYR CE1 C 3.923 4.438 -6.089 1.00 . A A . 27 TYR CE1 1 1 2 978 1 1 27 TYR CE2 C 2.004 4.397 -7.501 1.00 . A A . 27 TYR CE2 1 1 2 979 1 1 27 TYR CG C 2.363 2.594 -5.952 1.00 . A A . 27 TYR CG 1 1 2 980 1 1 27 TYR CZ C 3.158 5.015 -7.065 1.00 . A A . 27 TYR CZ 1 1 2 981 1 1 27 TYR H H 0.372 2.815 -3.077 1.00 . A A . 27 TYR H 1 1 2 982 1 1 27 TYR HA H 1.376 0.162 -3.588 1.00 . A A . 27 TYR HA 1 1 2 983 1 1 27 TYR HB2 H 2.792 0.580 -5.497 1.00 . A A . 27 TYR HB2 1 1 2 984 1 1 27 TYR HB3 H 1.126 0.845 -5.922 1.00 . A A . 27 TYR HB3 1 1 2 985 1 1 27 TYR HD1 H 4.129 2.789 -4.766 1.00 . A A . 27 TYR HD1 1 1 2 986 1 1 27 TYR HD2 H 0.709 2.709 -7.285 1.00 . A A . 27 TYR HD2 1 1 2 987 1 1 27 TYR HE1 H 4.830 4.914 -5.750 1.00 . A A . 27 TYR HE1 1 1 2 988 1 1 27 TYR HE2 H 1.395 4.853 -8.267 1.00 . A A . 27 TYR HE2 1 1 2 989 1 1 27 TYR HH H 4.507 6.240 -7.697 1.00 . A A . 27 TYR HH 1 1 2 990 1 1 27 TYR N N 0.367 1.912 -3.473 1.00 . A A . 27 TYR N 1 1 2 991 1 1 27 TYR O O 2.752 2.687 -2.419 1.00 . A A . 27 TYR O 1 1 2 992 1 1 27 TYR OH O 3.544 6.220 -7.612 1.00 . A A . 27 TYR OH 1 1 2 993 1 1 28 CYS C C 5.834 1.948 -2.919 1.00 . A A . 28 CYS C 1 1 2 994 1 1 28 CYS CA C 4.900 0.991 -2.210 1.00 . A A . 28 CYS CA 1 1 2 995 1 1 28 CYS CB C 5.597 -0.327 -1.919 1.00 . A A . 28 CYS CB 1 1 2 996 1 1 28 CYS H H 3.634 -0.060 -3.519 1.00 . A A . 28 CYS H 1 1 2 997 1 1 28 CYS HA H 4.599 1.432 -1.272 1.00 . A A . 28 CYS HA 1 1 2 998 1 1 28 CYS HB2 H 5.898 -0.783 -2.850 1.00 . A A . 28 CYS HB2 1 1 2 999 1 1 28 CYS HB3 H 6.471 -0.140 -1.313 1.00 . A A . 28 CYS HB3 1 1 2 1000 1 1 28 CYS N N 3.724 0.762 -2.985 1.00 . A A . 28 CYS N 1 1 2 1001 1 1 28 CYS O O 6.123 1.797 -4.113 1.00 . A A . 28 CYS O 1 1 2 1002 1 1 28 CYS SG S 4.550 -1.516 -1.031 1.00 . A A . 28 CYS SG 1 1 2 1003 1 1 29 ALA C C 8.375 3.837 -1.739 1.00 . A A . 29 ALA C 1 1 2 1004 1 1 29 ALA CA C 7.189 3.908 -2.668 1.00 . A A . 29 ALA CA 1 1 2 1005 1 1 29 ALA CB C 6.552 5.279 -2.638 1.00 . A A . 29 ALA CB 1 1 2 1006 1 1 29 ALA H H 5.955 3.009 -1.269 1.00 . A A . 29 ALA H 1 1 2 1007 1 1 29 ALA HA H 7.486 3.661 -3.677 1.00 . A A . 29 ALA HA 1 1 2 1008 1 1 29 ALA HB1 H 7.267 6.018 -2.962 1.00 . A A . 29 ALA HB1 1 1 2 1009 1 1 29 ALA HB2 H 6.240 5.504 -1.628 1.00 . A A . 29 ALA HB2 1 1 2 1010 1 1 29 ALA HB3 H 5.694 5.295 -3.293 1.00 . A A . 29 ALA HB3 1 1 2 1011 1 1 29 ALA N N 6.259 2.933 -2.204 1.00 . A A . 29 ALA N 1 1 2 1012 1 1 29 ALA O O 8.385 2.991 -0.853 1.00 . A A . 29 ALA O 1 1 2 1013 1 1 30 TRP C C 10.314 5.121 0.375 1.00 . A A . 30 TRP C 1 1 2 1014 1 1 30 TRP CA C 10.537 4.641 -1.043 1.00 . A A . 30 TRP CA 1 1 2 1015 1 1 30 TRP CB C 11.735 5.323 -1.689 1.00 . A A . 30 TRP CB 1 1 2 1016 1 1 30 TRP CD1 C 12.037 4.960 -4.191 1.00 . A A . 30 TRP CD1 1 1 2 1017 1 1 30 TRP CD2 C 12.930 3.399 -2.913 1.00 . A A . 30 TRP CD2 1 1 2 1018 1 1 30 TRP CE2 C 13.170 3.050 -4.235 1.00 . A A . 30 TRP CE2 1 1 2 1019 1 1 30 TRP CE3 C 13.386 2.593 -1.914 1.00 . A A . 30 TRP CE3 1 1 2 1020 1 1 30 TRP CG C 12.211 4.609 -2.903 1.00 . A A . 30 TRP CG 1 1 2 1021 1 1 30 TRP CH2 C 14.311 1.099 -3.561 1.00 . A A . 30 TRP CH2 1 1 2 1022 1 1 30 TRP CZ2 C 13.863 1.892 -4.584 1.00 . A A . 30 TRP CZ2 1 1 2 1023 1 1 30 TRP CZ3 C 14.076 1.442 -2.230 1.00 . A A . 30 TRP CZ3 1 1 2 1024 1 1 30 TRP H H 9.269 5.436 -2.541 1.00 . A A . 30 TRP H 1 1 2 1025 1 1 30 TRP HA H 10.754 3.589 -0.969 1.00 . A A . 30 TRP HA 1 1 2 1026 1 1 30 TRP HB2 H 11.473 6.328 -1.970 1.00 . A A . 30 TRP HB2 1 1 2 1027 1 1 30 TRP HB3 H 12.549 5.355 -0.981 1.00 . A A . 30 TRP HB3 1 1 2 1028 1 1 30 TRP HD1 H 11.515 5.849 -4.510 1.00 . A A . 30 TRP HD1 1 1 2 1029 1 1 30 TRP HE1 H 12.622 4.050 -5.989 1.00 . A A . 30 TRP HE1 1 1 2 1030 1 1 30 TRP HE3 H 13.159 2.912 -0.911 1.00 . A A . 30 TRP HE3 1 1 2 1031 1 1 30 TRP HH2 H 14.854 0.188 -3.769 1.00 . A A . 30 TRP HH2 1 1 2 1032 1 1 30 TRP HZ2 H 14.046 1.611 -5.610 1.00 . A A . 30 TRP HZ2 1 1 2 1033 1 1 30 TRP HZ3 H 14.442 0.797 -1.445 1.00 . A A . 30 TRP HZ3 1 1 2 1034 1 1 30 TRP N N 9.340 4.715 -1.879 1.00 . A A . 30 TRP N 1 1 2 1035 1 1 30 TRP NE1 N 12.610 4.024 -5.008 1.00 . A A . 30 TRP NE1 1 1 2 1036 1 1 30 TRP O O 11.191 4.982 1.241 1.00 . A A . 30 TRP O 1 1 2 1037 1 1 31 ASP C C 7.289 6.403 1.767 1.00 . A A . 31 ASP C 1 1 2 1038 1 1 31 ASP CA C 8.769 6.139 1.879 1.00 . A A . 31 ASP CA 1 1 2 1039 1 1 31 ASP CB C 9.540 7.434 2.173 1.00 . A A . 31 ASP CB 1 1 2 1040 1 1 31 ASP CG C 9.445 7.920 3.612 1.00 . A A . 31 ASP CG 1 1 2 1041 1 1 31 ASP H H 8.456 5.713 -0.066 1.00 . A A . 31 ASP H 1 1 2 1042 1 1 31 ASP HA H 8.969 5.400 2.641 1.00 . A A . 31 ASP HA 1 1 2 1043 1 1 31 ASP HB2 H 10.572 7.191 1.966 1.00 . A A . 31 ASP HB2 1 1 2 1044 1 1 31 ASP HB3 H 9.208 8.206 1.496 1.00 . A A . 31 ASP HB3 1 1 2 1045 1 1 31 ASP N N 9.151 5.641 0.620 1.00 . A A . 31 ASP N 1 1 2 1046 1 1 31 ASP O O 6.740 6.427 0.657 1.00 . A A . 31 ASP O 1 1 2 1047 1 1 31 ASP OD1 O 10.476 7.916 4.319 1.00 . A A . 31 ASP OD1 1 1 2 1048 1 1 31 ASP OD2 O 8.368 8.309 4.064 1.00 . A A . 31 ASP OD2 1 1 2 1049 1 1 32 PHE C C 4.996 8.338 2.737 1.00 . A A . 32 PHE C 1 1 2 1050 1 1 32 PHE CA C 5.231 6.842 2.903 1.00 . A A . 32 PHE CA 1 1 2 1051 1 1 32 PHE CB C 4.611 6.333 4.222 1.00 . A A . 32 PHE CB 1 1 2 1052 1 1 32 PHE CD1 C 6.324 6.397 6.065 1.00 . A A . 32 PHE CD1 1 1 2 1053 1 1 32 PHE CD2 C 4.607 8.052 6.074 1.00 . A A . 32 PHE CD2 1 1 2 1054 1 1 32 PHE CE1 C 6.856 6.942 7.212 1.00 . A A . 32 PHE CE1 1 1 2 1055 1 1 32 PHE CE2 C 5.138 8.599 7.221 1.00 . A A . 32 PHE CE2 1 1 2 1056 1 1 32 PHE CG C 5.195 6.942 5.479 1.00 . A A . 32 PHE CG 1 1 2 1057 1 1 32 PHE CZ C 6.264 8.044 7.793 1.00 . A A . 32 PHE CZ 1 1 2 1058 1 1 32 PHE H H 7.201 6.529 3.665 1.00 . A A . 32 PHE H 1 1 2 1059 1 1 32 PHE HA H 4.771 6.327 2.072 1.00 . A A . 32 PHE HA 1 1 2 1060 1 1 32 PHE HB2 H 3.553 6.552 4.219 1.00 . A A . 32 PHE HB2 1 1 2 1061 1 1 32 PHE HB3 H 4.743 5.263 4.278 1.00 . A A . 32 PHE HB3 1 1 2 1062 1 1 32 PHE HD1 H 6.792 5.535 5.614 1.00 . A A . 32 PHE HD1 1 1 2 1063 1 1 32 PHE HD2 H 3.729 8.499 5.631 1.00 . A A . 32 PHE HD2 1 1 2 1064 1 1 32 PHE HE1 H 7.739 6.507 7.656 1.00 . A A . 32 PHE HE1 1 1 2 1065 1 1 32 PHE HE2 H 4.672 9.462 7.674 1.00 . A A . 32 PHE HE2 1 1 2 1066 1 1 32 PHE HZ H 6.681 8.472 8.693 1.00 . A A . 32 PHE HZ 1 1 2 1067 1 1 32 PHE N N 6.655 6.564 2.855 1.00 . A A . 32 PHE N 1 1 2 1068 1 1 32 PHE O O 3.900 8.777 2.397 1.00 . A A . 32 PHE O 1 1 2 1069 1 1 33 THR C C 6.382 10.917 1.412 1.00 . A A . 33 THR C 1 1 2 1070 1 1 33 THR CA C 5.997 10.524 2.847 1.00 . A A . 33 THR CA 1 1 2 1071 1 1 33 THR CB C 7.021 11.143 3.829 1.00 . A A . 33 THR CB 1 1 2 1072 1 1 33 THR CG2 C 6.650 12.581 4.147 1.00 . A A . 33 THR CG2 1 1 2 1073 1 1 33 THR H H 6.892 8.685 3.220 1.00 . A A . 33 THR H 1 1 2 1074 1 1 33 THR HA H 5.007 10.880 3.093 1.00 . A A . 33 THR HA 1 1 2 1075 1 1 33 THR HB H 8.004 11.113 3.384 1.00 . A A . 33 THR HB 1 1 2 1076 1 1 33 THR HG1 H 7.451 9.543 4.826 1.00 . A A . 33 THR HG1 1 1 2 1077 1 1 33 THR HG21 H 7.372 12.998 4.833 1.00 . A A . 33 THR HG21 1 1 2 1078 1 1 33 THR HG22 H 5.671 12.585 4.605 1.00 . A A . 33 THR HG22 1 1 2 1079 1 1 33 THR HG23 H 6.627 13.160 3.236 1.00 . A A . 33 THR HG23 1 1 2 1080 1 1 33 THR N N 6.036 9.097 2.957 1.00 . A A . 33 THR N 1 1 2 1081 1 1 33 THR O O 7.016 10.129 0.695 1.00 . A A . 33 THR O 1 1 2 1082 1 1 33 THR OG1 O 7.019 10.383 5.060 1.00 . A A . 33 THR OG1 1 1 2 1083 1 1 34 PHE C C 6.914 13.968 -0.111 1.00 . A A . 34 PHE C 1 1 2 1084 1 1 34 PHE CA C 6.321 12.589 -0.306 1.00 . A A . 34 PHE CA 1 1 2 1085 1 1 34 PHE CB C 5.092 12.648 -1.226 1.00 . A A . 34 PHE CB 1 1 2 1086 1 1 34 PHE CD1 C 5.828 12.132 -3.563 1.00 . A A . 34 PHE CD1 1 1 2 1087 1 1 34 PHE CD2 C 5.264 14.385 -3.040 1.00 . A A . 34 PHE CD2 1 1 2 1088 1 1 34 PHE CE1 C 6.115 12.503 -4.857 1.00 . A A . 34 PHE CE1 1 1 2 1089 1 1 34 PHE CE2 C 5.550 14.761 -4.334 1.00 . A A . 34 PHE CE2 1 1 2 1090 1 1 34 PHE CG C 5.401 13.064 -2.639 1.00 . A A . 34 PHE CG 1 1 2 1091 1 1 34 PHE CZ C 5.977 13.818 -5.244 1.00 . A A . 34 PHE CZ 1 1 2 1092 1 1 34 PHE H H 5.373 12.613 1.554 1.00 . A A . 34 PHE H 1 1 2 1093 1 1 34 PHE HA H 7.063 11.934 -0.737 1.00 . A A . 34 PHE HA 1 1 2 1094 1 1 34 PHE HB2 H 4.638 11.669 -1.264 1.00 . A A . 34 PHE HB2 1 1 2 1095 1 1 34 PHE HB3 H 4.381 13.351 -0.816 1.00 . A A . 34 PHE HB3 1 1 2 1096 1 1 34 PHE HD1 H 5.938 11.100 -3.262 1.00 . A A . 34 PHE HD1 1 1 2 1097 1 1 34 PHE HD2 H 4.930 15.124 -2.328 1.00 . A A . 34 PHE HD2 1 1 2 1098 1 1 34 PHE HE1 H 6.445 11.762 -5.568 1.00 . A A . 34 PHE HE1 1 1 2 1099 1 1 34 PHE HE2 H 5.442 15.792 -4.636 1.00 . A A . 34 PHE HE2 1 1 2 1100 1 1 34 PHE HZ H 6.201 14.110 -6.260 1.00 . A A . 34 PHE HZ 1 1 2 1101 1 1 34 PHE N N 5.963 12.074 0.982 1.00 . A A . 34 PHE N 1 1 2 1102 1 1 34 PHE O O 6.188 14.943 0.133 1.00 . A A . 34 PHE O 1 1 2 1103 1 1 35 THR C C 10.236 15.330 -0.678 1.00 . A A . 35 THR C 1 1 2 1104 1 1 35 THR CA C 8.897 15.318 0.064 1.00 . A A . 35 THR CA 1 1 2 1105 1 1 35 THR CB C 9.126 15.603 1.576 1.00 . A A . 35 THR CB 1 1 2 1106 1 1 35 THR CG2 C 9.775 16.968 1.784 1.00 . A A . 35 THR CG2 1 1 2 1107 1 1 35 THR H H 8.749 13.244 -0.292 1.00 . A A . 35 THR H 1 1 2 1108 1 1 35 THR HA H 8.259 16.090 -0.339 1.00 . A A . 35 THR HA 1 1 2 1109 1 1 35 THR HB H 9.763 14.836 1.987 1.00 . A A . 35 THR HB 1 1 2 1110 1 1 35 THR HG1 H 7.185 15.435 1.589 1.00 . A A . 35 THR HG1 1 1 2 1111 1 1 35 THR HG21 H 9.130 17.737 1.383 1.00 . A A . 35 THR HG21 1 1 2 1112 1 1 35 THR HG22 H 10.727 16.995 1.275 1.00 . A A . 35 THR HG22 1 1 2 1113 1 1 35 THR HG23 H 9.925 17.139 2.840 1.00 . A A . 35 THR HG23 1 1 2 1114 1 1 35 THR N N 8.211 14.051 -0.133 1.00 . A A . 35 THR N 1 1 2 1115 1 1 35 THR O O 10.459 14.514 -1.599 1.00 . A A . 35 THR O 1 1 2 1116 1 1 35 THR OG1 O 7.862 15.574 2.266 1.00 . A A . 35 THR OG1 1 1 3 1117 1 1 1 ASP C C 6.169 -10.172 0.535 1.00 . A A . 1 ASP C 1 1 3 1118 1 1 1 ASP CA C 6.765 -11.551 0.445 1.00 . A A . 1 ASP CA 1 1 3 1119 1 1 1 ASP CB C 6.458 -12.186 -0.934 1.00 . A A . 1 ASP CB 1 1 3 1120 1 1 1 ASP CG C 4.980 -12.231 -1.271 1.00 . A A . 1 ASP CG 1 1 3 1121 1 1 1 ASP H1 H 6.607 -13.313 1.566 1.00 . A A . 1 ASP H1 1 1 3 1122 1 1 1 ASP H2 H 5.187 -12.404 1.430 1.00 . A A . 1 ASP H2 1 1 3 1123 1 1 1 ASP H3 H 6.395 -11.882 2.436 1.00 . A A . 1 ASP H3 1 1 3 1124 1 1 1 ASP HA H 7.833 -11.479 0.585 1.00 . A A . 1 ASP HA 1 1 3 1125 1 1 1 ASP HB2 H 6.956 -11.615 -1.703 1.00 . A A . 1 ASP HB2 1 1 3 1126 1 1 1 ASP HB3 H 6.843 -13.196 -0.945 1.00 . A A . 1 ASP HB3 1 1 3 1127 1 1 1 ASP N N 6.220 -12.352 1.528 1.00 . A A . 1 ASP N 1 1 3 1128 1 1 1 ASP O O 4.971 -10.021 0.749 1.00 . A A . 1 ASP O 1 1 3 1129 1 1 1 ASP OD1 O 4.228 -12.962 -0.602 1.00 . A A . 1 ASP OD1 1 1 3 1130 1 1 1 ASP OD2 O 4.550 -11.561 -2.227 1.00 . A A . 1 ASP OD2 1 1 3 1131 1 1 2 CYS C C 6.302 -7.279 -0.839 1.00 . A A . 2 CYS C 1 1 3 1132 1 1 2 CYS CA C 6.569 -7.834 0.520 1.00 . A A . 2 CYS CA 1 1 3 1133 1 1 2 CYS CB C 7.679 -7.023 1.147 1.00 . A A . 2 CYS CB 1 1 3 1134 1 1 2 CYS H H 7.940 -9.334 0.215 1.00 . A A . 2 CYS H 1 1 3 1135 1 1 2 CYS HA H 5.689 -7.724 1.132 1.00 . A A . 2 CYS HA 1 1 3 1136 1 1 2 CYS HB2 H 7.305 -6.024 1.308 1.00 . A A . 2 CYS HB2 1 1 3 1137 1 1 2 CYS HB3 H 7.961 -7.451 2.093 1.00 . A A . 2 CYS HB3 1 1 3 1138 1 1 2 CYS N N 6.989 -9.184 0.406 1.00 . A A . 2 CYS N 1 1 3 1139 1 1 2 CYS O O 6.260 -8.005 -1.845 1.00 . A A . 2 CYS O 1 1 3 1140 1 1 2 CYS SG S 9.159 -6.891 0.096 1.00 . A A . 2 CYS SG 1 1 3 1141 1 1 3 ARG C C 7.060 -4.320 -2.118 1.00 . A A . 3 ARG C 1 1 3 1142 1 1 3 ARG CA C 5.952 -5.304 -2.060 1.00 . A A . 3 ARG CA 1 1 3 1143 1 1 3 ARG CB C 4.604 -4.601 -2.219 1.00 . A A . 3 ARG CB 1 1 3 1144 1 1 3 ARG CD C 3.023 -6.408 -1.528 1.00 . A A . 3 ARG CD 1 1 3 1145 1 1 3 ARG CG C 3.464 -5.513 -2.645 1.00 . A A . 3 ARG CG 1 1 3 1146 1 1 3 ARG CZ C 2.287 -8.691 -2.097 1.00 . A A . 3 ARG CZ 1 1 3 1147 1 1 3 ARG H H 5.934 -5.567 -0.008 1.00 . A A . 3 ARG H 1 1 3 1148 1 1 3 ARG HA H 6.076 -6.009 -2.869 1.00 . A A . 3 ARG HA 1 1 3 1149 1 1 3 ARG HB2 H 4.349 -4.178 -1.256 1.00 . A A . 3 ARG HB2 1 1 3 1150 1 1 3 ARG HB3 H 4.701 -3.796 -2.930 1.00 . A A . 3 ARG HB3 1 1 3 1151 1 1 3 ARG HD2 H 3.886 -6.909 -1.119 1.00 . A A . 3 ARG HD2 1 1 3 1152 1 1 3 ARG HD3 H 2.578 -5.763 -0.787 1.00 . A A . 3 ARG HD3 1 1 3 1153 1 1 3 ARG HE H 1.126 -7.024 -2.081 1.00 . A A . 3 ARG HE 1 1 3 1154 1 1 3 ARG HG2 H 2.625 -4.909 -2.958 1.00 . A A . 3 ARG HG2 1 1 3 1155 1 1 3 ARG HG3 H 3.797 -6.121 -3.473 1.00 . A A . 3 ARG HG3 1 1 3 1156 1 1 3 ARG HH11 H 4.333 -8.520 -1.957 1.00 . A A . 3 ARG HH11 1 1 3 1157 1 1 3 ARG HH12 H 3.789 -10.110 -2.156 1.00 . A A . 3 ARG HH12 1 1 3 1158 1 1 3 ARG HH21 H 0.339 -9.258 -2.372 1.00 . A A . 3 ARG HH21 1 1 3 1159 1 1 3 ARG HH22 H 1.459 -10.530 -2.421 1.00 . A A . 3 ARG HH22 1 1 3 1160 1 1 3 ARG N N 6.061 -6.031 -0.866 1.00 . A A . 3 ARG N 1 1 3 1161 1 1 3 ARG NE N 2.032 -7.387 -1.956 1.00 . A A . 3 ARG NE 1 1 3 1162 1 1 3 ARG NH1 N 3.545 -9.130 -2.072 1.00 . A A . 3 ARG NH1 1 1 3 1163 1 1 3 ARG NH2 N 1.298 -9.545 -2.311 1.00 . A A . 3 ARG NH2 1 1 3 1164 1 1 3 ARG O O 7.421 -3.694 -1.098 1.00 . A A . 3 ARG O 1 1 3 1165 1 1 4 TYR C C 8.019 -2.132 -4.203 1.00 . A A . 4 TYR C 1 1 3 1166 1 1 4 TYR CA C 8.652 -3.324 -3.523 1.00 . A A . 4 TYR CA 1 1 3 1167 1 1 4 TYR CB C 9.700 -4.003 -4.368 1.00 . A A . 4 TYR CB 1 1 3 1168 1 1 4 TYR CD1 C 11.390 -4.627 -2.608 1.00 . A A . 4 TYR CD1 1 1 3 1169 1 1 4 TYR CD2 C 10.349 -6.391 -3.827 1.00 . A A . 4 TYR CD2 1 1 3 1170 1 1 4 TYR CE1 C 12.117 -5.543 -1.884 1.00 . A A . 4 TYR CE1 1 1 3 1171 1 1 4 TYR CE2 C 11.076 -7.318 -3.104 1.00 . A A . 4 TYR CE2 1 1 3 1172 1 1 4 TYR CG C 10.494 -5.030 -3.590 1.00 . A A . 4 TYR CG 1 1 3 1173 1 1 4 TYR CZ C 11.958 -6.886 -2.133 1.00 . A A . 4 TYR CZ 1 1 3 1174 1 1 4 TYR H H 7.408 -4.831 -3.996 1.00 . A A . 4 TYR H 1 1 3 1175 1 1 4 TYR HA H 9.094 -3.014 -2.589 1.00 . A A . 4 TYR HA 1 1 3 1176 1 1 4 TYR HB2 H 9.210 -4.498 -5.193 1.00 . A A . 4 TYR HB2 1 1 3 1177 1 1 4 TYR HB3 H 10.368 -3.258 -4.751 1.00 . A A . 4 TYR HB3 1 1 3 1178 1 1 4 TYR HD1 H 11.511 -3.572 -2.413 1.00 . A A . 4 TYR HD1 1 1 3 1179 1 1 4 TYR HD2 H 9.657 -6.721 -4.588 1.00 . A A . 4 TYR HD2 1 1 3 1180 1 1 4 TYR HE1 H 12.806 -5.208 -1.124 1.00 . A A . 4 TYR HE1 1 1 3 1181 1 1 4 TYR HE2 H 10.953 -8.373 -3.299 1.00 . A A . 4 TYR HE2 1 1 3 1182 1 1 4 TYR HH H 13.119 -8.399 -2.030 1.00 . A A . 4 TYR HH 1 1 3 1183 1 1 4 TYR N N 7.649 -4.242 -3.251 1.00 . A A . 4 TYR N 1 1 3 1184 1 1 4 TYR O O 6.804 -1.921 -4.059 1.00 . A A . 4 TYR O 1 1 3 1185 1 1 4 TYR OH O 12.686 -7.802 -1.404 1.00 . A A . 4 TYR OH 1 1 3 1186 1 1 5 MET C C 7.227 -0.517 -6.560 1.00 . A A . 5 MET C 1 1 3 1187 1 1 5 MET CA C 8.229 -0.149 -5.489 1.00 . A A . 5 MET CA 1 1 3 1188 1 1 5 MET CB C 9.307 0.776 -6.039 1.00 . A A . 5 MET CB 1 1 3 1189 1 1 5 MET CE C 9.367 4.885 -6.400 1.00 . A A . 5 MET CE 1 1 3 1190 1 1 5 MET CG C 8.838 2.210 -6.160 1.00 . A A . 5 MET CG 1 1 3 1191 1 1 5 MET H H 9.727 -1.569 -5.076 1.00 . A A . 5 MET H 1 1 3 1192 1 1 5 MET HA H 7.681 0.362 -4.709 1.00 . A A . 5 MET HA 1 1 3 1193 1 1 5 MET HB2 H 10.170 0.758 -5.392 1.00 . A A . 5 MET HB2 1 1 3 1194 1 1 5 MET HB3 H 9.604 0.431 -7.016 1.00 . A A . 5 MET HB3 1 1 3 1195 1 1 5 MET HE1 H 8.373 4.977 -6.808 1.00 . A A . 5 MET HE1 1 1 3 1196 1 1 5 MET HE2 H 10.002 5.675 -6.771 1.00 . A A . 5 MET HE2 1 1 3 1197 1 1 5 MET HE3 H 9.332 4.937 -5.320 1.00 . A A . 5 MET HE3 1 1 3 1198 1 1 5 MET HG2 H 7.968 2.235 -6.802 1.00 . A A . 5 MET HG2 1 1 3 1199 1 1 5 MET HG3 H 8.565 2.565 -5.178 1.00 . A A . 5 MET HG3 1 1 3 1200 1 1 5 MET N N 8.785 -1.346 -4.914 1.00 . A A . 5 MET N 1 1 3 1201 1 1 5 MET O O 7.458 -1.451 -7.338 1.00 . A A . 5 MET O 1 1 3 1202 1 1 5 MET SD S 10.077 3.304 -6.845 1.00 . A A . 5 MET SD 1 1 3 1203 1 1 6 PHE C C 4.166 -1.296 -7.079 1.00 . A A . 6 PHE C 1 1 3 1204 1 1 6 PHE CA C 4.955 -0.038 -7.454 1.00 . A A . 6 PHE CA 1 1 3 1205 1 1 6 PHE CB C 5.377 -0.046 -8.946 1.00 . A A . 6 PHE CB 1 1 3 1206 1 1 6 PHE CD1 C 7.422 1.342 -9.384 1.00 . A A . 6 PHE CD1 1 1 3 1207 1 1 6 PHE CD2 C 5.291 2.312 -9.819 1.00 . A A . 6 PHE CD2 1 1 3 1208 1 1 6 PHE CE1 C 8.044 2.502 -9.778 1.00 . A A . 6 PHE CE1 1 1 3 1209 1 1 6 PHE CE2 C 5.908 3.483 -10.221 1.00 . A A . 6 PHE CE2 1 1 3 1210 1 1 6 PHE CG C 6.042 1.229 -9.398 1.00 . A A . 6 PHE CG 1 1 3 1211 1 1 6 PHE CZ C 7.289 3.578 -10.200 1.00 . A A . 6 PHE CZ 1 1 3 1212 1 1 6 PHE H H 5.992 0.855 -5.827 1.00 . A A . 6 PHE H 1 1 3 1213 1 1 6 PHE HA H 4.290 0.798 -7.282 1.00 . A A . 6 PHE HA 1 1 3 1214 1 1 6 PHE HB2 H 6.072 -0.856 -9.109 1.00 . A A . 6 PHE HB2 1 1 3 1215 1 1 6 PHE HB3 H 4.501 -0.205 -9.559 1.00 . A A . 6 PHE HB3 1 1 3 1216 1 1 6 PHE HD1 H 8.015 0.501 -9.057 1.00 . A A . 6 PHE HD1 1 1 3 1217 1 1 6 PHE HD2 H 4.214 2.237 -9.835 1.00 . A A . 6 PHE HD2 1 1 3 1218 1 1 6 PHE HE1 H 9.122 2.555 -9.745 1.00 . A A . 6 PHE HE1 1 1 3 1219 1 1 6 PHE HE2 H 5.314 4.322 -10.549 1.00 . A A . 6 PHE HE2 1 1 3 1220 1 1 6 PHE HZ H 7.774 4.492 -10.510 1.00 . A A . 6 PHE HZ 1 1 3 1221 1 1 6 PHE N N 6.085 0.174 -6.530 1.00 . A A . 6 PHE N 1 1 3 1222 1 1 6 PHE O O 3.239 -1.709 -7.793 1.00 . A A . 6 PHE O 1 1 3 1223 1 1 7 GLY C C 2.671 -2.549 -4.582 1.00 . A A . 7 GLY C 1 1 3 1224 1 1 7 GLY CA C 3.808 -3.023 -5.449 1.00 . A A . 7 GLY CA 1 1 3 1225 1 1 7 GLY H H 5.318 -1.577 -5.464 1.00 . A A . 7 GLY H 1 1 3 1226 1 1 7 GLY HA2 H 3.413 -3.590 -6.279 1.00 . A A . 7 GLY HA2 1 1 3 1227 1 1 7 GLY HA3 H 4.460 -3.654 -4.865 1.00 . A A . 7 GLY HA3 1 1 3 1228 1 1 7 GLY N N 4.531 -1.895 -5.959 1.00 . A A . 7 GLY N 1 1 3 1229 1 1 7 GLY O O 2.788 -1.525 -3.935 1.00 . A A . 7 GLY O 1 1 3 1230 1 1 8 ASP C C 0.487 -2.964 -2.371 1.00 . A A . 8 ASP C 1 1 3 1231 1 1 8 ASP CA C 0.362 -2.939 -3.859 1.00 . A A . 8 ASP CA 1 1 3 1232 1 1 8 ASP CB C -0.735 -3.870 -4.297 1.00 . A A . 8 ASP CB 1 1 3 1233 1 1 8 ASP CG C -1.998 -3.818 -3.471 1.00 . A A . 8 ASP CG 1 1 3 1234 1 1 8 ASP H H 1.668 -4.195 -4.963 1.00 . A A . 8 ASP H 1 1 3 1235 1 1 8 ASP HA H 0.093 -1.941 -4.170 1.00 . A A . 8 ASP HA 1 1 3 1236 1 1 8 ASP HB2 H -0.978 -3.573 -5.300 1.00 . A A . 8 ASP HB2 1 1 3 1237 1 1 8 ASP HB3 H -0.339 -4.871 -4.281 1.00 . A A . 8 ASP HB3 1 1 3 1238 1 1 8 ASP N N 1.611 -3.310 -4.546 1.00 . A A . 8 ASP N 1 1 3 1239 1 1 8 ASP O O 1.102 -3.859 -1.802 1.00 . A A . 8 ASP O 1 1 3 1240 1 1 8 ASP OD1 O -2.145 -4.661 -2.562 1.00 . A A . 8 ASP OD1 1 1 3 1241 1 1 8 ASP OD2 O -2.872 -2.976 -3.737 1.00 . A A . 8 ASP OD2 1 1 3 1242 1 1 9 CYS C C -1.274 -1.372 0.299 1.00 . A A . 9 CYS C 1 1 3 1243 1 1 9 CYS CA C -0.022 -1.959 -0.323 1.00 . A A . 9 CYS CA 1 1 3 1244 1 1 9 CYS CB C 1.178 -1.106 0.015 1.00 . A A . 9 CYS CB 1 1 3 1245 1 1 9 CYS H H -0.671 -1.386 -2.235 1.00 . A A . 9 CYS H 1 1 3 1246 1 1 9 CYS HA H 0.154 -2.951 0.061 1.00 . A A . 9 CYS HA 1 1 3 1247 1 1 9 CYS HB2 H 1.453 -1.215 1.052 1.00 . A A . 9 CYS HB2 1 1 3 1248 1 1 9 CYS HB3 H 1.955 -1.493 -0.630 1.00 . A A . 9 CYS HB3 1 1 3 1249 1 1 9 CYS N N -0.132 -2.036 -1.736 1.00 . A A . 9 CYS N 1 1 3 1250 1 1 9 CYS O O -2.014 -0.606 -0.347 1.00 . A A . 9 CYS O 1 1 3 1251 1 1 9 CYS SG S 0.980 0.667 -0.382 1.00 . A A . 9 CYS SG 1 1 3 1252 1 1 10 GLU C C -1.986 -0.498 3.459 1.00 . A A . 10 GLU C 1 1 3 1253 1 1 10 GLU CA C -2.618 -1.200 2.285 1.00 . A A . 10 GLU CA 1 1 3 1254 1 1 10 GLU CB C -3.533 -2.271 2.832 1.00 . A A . 10 GLU CB 1 1 3 1255 1 1 10 GLU CD C -4.998 -4.215 2.446 1.00 . A A . 10 GLU CD 1 1 3 1256 1 1 10 GLU CG C -4.109 -3.203 1.808 1.00 . A A . 10 GLU CG 1 1 3 1257 1 1 10 GLU H H -1.048 -2.520 1.915 1.00 . A A . 10 GLU H 1 1 3 1258 1 1 10 GLU HA H -3.180 -0.510 1.674 1.00 . A A . 10 GLU HA 1 1 3 1259 1 1 10 GLU HB2 H -2.975 -2.865 3.540 1.00 . A A . 10 GLU HB2 1 1 3 1260 1 1 10 GLU HB3 H -4.345 -1.789 3.353 1.00 . A A . 10 GLU HB3 1 1 3 1261 1 1 10 GLU HG2 H -4.684 -2.631 1.094 1.00 . A A . 10 GLU HG2 1 1 3 1262 1 1 10 GLU HG3 H -3.302 -3.714 1.305 1.00 . A A . 10 GLU HG3 1 1 3 1263 1 1 10 GLU N N -1.556 -1.781 1.509 1.00 . A A . 10 GLU N 1 1 3 1264 1 1 10 GLU O O -2.444 0.550 3.908 1.00 . A A . 10 GLU O 1 1 3 1265 1 1 10 GLU OE1 O -4.503 -5.016 3.280 1.00 . A A . 10 GLU OE1 1 1 3 1266 1 1 10 GLU OE2 O -6.197 -4.243 2.135 1.00 . A A . 10 GLU OE2 1 1 3 1267 1 1 11 LYS C C 1.254 -0.761 4.793 1.00 . A A . 11 LYS C 1 1 3 1268 1 1 11 LYS CA C -0.215 -0.649 5.082 1.00 . A A . 11 LYS CA 1 1 3 1269 1 1 11 LYS CB C -0.609 -1.534 6.256 1.00 . A A . 11 LYS CB 1 1 3 1270 1 1 11 LYS CD C -1.163 -3.942 6.794 1.00 . A A . 11 LYS CD 1 1 3 1271 1 1 11 LYS CE C -2.463 -4.171 6.013 1.00 . A A . 11 LYS CE 1 1 3 1272 1 1 11 LYS CG C -0.229 -2.997 6.073 1.00 . A A . 11 LYS CG 1 1 3 1273 1 1 11 LYS H H -0.537 -1.896 3.507 1.00 . A A . 11 LYS H 1 1 3 1274 1 1 11 LYS HA H -0.475 0.374 5.302 1.00 . A A . 11 LYS HA 1 1 3 1275 1 1 11 LYS HB2 H -0.101 -1.170 7.136 1.00 . A A . 11 LYS HB2 1 1 3 1276 1 1 11 LYS HB3 H -1.668 -1.453 6.415 1.00 . A A . 11 LYS HB3 1 1 3 1277 1 1 11 LYS HD2 H -0.663 -4.887 6.939 1.00 . A A . 11 LYS HD2 1 1 3 1278 1 1 11 LYS HD3 H -1.400 -3.505 7.752 1.00 . A A . 11 LYS HD3 1 1 3 1279 1 1 11 LYS HE2 H -3.147 -4.734 6.632 1.00 . A A . 11 LYS HE2 1 1 3 1280 1 1 11 LYS HE3 H -2.903 -3.213 5.779 1.00 . A A . 11 LYS HE3 1 1 3 1281 1 1 11 LYS HG2 H -0.238 -3.231 5.019 1.00 . A A . 11 LYS HG2 1 1 3 1282 1 1 11 LYS HG3 H 0.771 -3.114 6.458 1.00 . A A . 11 LYS HG3 1 1 3 1283 1 1 11 LYS HZ1 H -3.124 -5.011 4.196 1.00 . A A . 11 LYS HZ1 1 1 3 1284 1 1 11 LYS HZ2 H -1.925 -5.899 4.952 1.00 . A A . 11 LYS HZ2 1 1 3 1285 1 1 11 LYS HZ3 H -1.512 -4.484 4.125 1.00 . A A . 11 LYS HZ3 1 1 3 1286 1 1 11 LYS N N -0.916 -1.096 3.939 1.00 . A A . 11 LYS N 1 1 3 1287 1 1 11 LYS NZ N -2.233 -4.927 4.740 1.00 . A A . 11 LYS NZ 1 1 3 1288 1 1 11 LYS O O 1.645 -1.329 3.767 1.00 . A A . 11 LYS O 1 1 3 1289 1 1 12 ASP C C 4.119 -1.652 5.620 1.00 . A A . 12 ASP C 1 1 3 1290 1 1 12 ASP CA C 3.521 -0.279 5.481 1.00 . A A . 12 ASP CA 1 1 3 1291 1 1 12 ASP CB C 4.231 0.702 6.412 1.00 . A A . 12 ASP CB 1 1 3 1292 1 1 12 ASP CG C 3.790 2.112 6.203 1.00 . A A . 12 ASP CG 1 1 3 1293 1 1 12 ASP H H 1.645 0.035 6.525 1.00 . A A . 12 ASP H 1 1 3 1294 1 1 12 ASP HA H 3.674 0.040 4.460 1.00 . A A . 12 ASP HA 1 1 3 1295 1 1 12 ASP HB2 H 4.005 0.441 7.432 1.00 . A A . 12 ASP HB2 1 1 3 1296 1 1 12 ASP HB3 H 5.297 0.643 6.252 1.00 . A A . 12 ASP HB3 1 1 3 1297 1 1 12 ASP N N 2.059 -0.302 5.697 1.00 . A A . 12 ASP N 1 1 3 1298 1 1 12 ASP O O 5.223 -1.919 5.139 1.00 . A A . 12 ASP O 1 1 3 1299 1 1 12 ASP OD1 O 3.242 2.735 7.154 1.00 . A A . 12 ASP OD1 1 1 3 1300 1 1 12 ASP OD2 O 3.912 2.616 5.081 1.00 . A A . 12 ASP OD2 1 1 3 1301 1 1 13 GLU C C 3.828 -4.662 5.145 1.00 . A A . 13 GLU C 1 1 3 1302 1 1 13 GLU CA C 3.760 -3.930 6.455 1.00 . A A . 13 GLU CA 1 1 3 1303 1 1 13 GLU CB C 2.739 -4.634 7.319 1.00 . A A . 13 GLU CB 1 1 3 1304 1 1 13 GLU CD C 1.400 -4.597 9.466 1.00 . A A . 13 GLU CD 1 1 3 1305 1 1 13 GLU CG C 2.550 -4.001 8.692 1.00 . A A . 13 GLU CG 1 1 3 1306 1 1 13 GLU H H 2.466 -2.241 6.518 1.00 . A A . 13 GLU H 1 1 3 1307 1 1 13 GLU HA H 4.718 -3.948 6.952 1.00 . A A . 13 GLU HA 1 1 3 1308 1 1 13 GLU HB2 H 1.819 -4.664 6.753 1.00 . A A . 13 GLU HB2 1 1 3 1309 1 1 13 GLU HB3 H 3.068 -5.655 7.440 1.00 . A A . 13 GLU HB3 1 1 3 1310 1 1 13 GLU HG2 H 3.455 -4.139 9.266 1.00 . A A . 13 GLU HG2 1 1 3 1311 1 1 13 GLU HG3 H 2.371 -2.945 8.560 1.00 . A A . 13 GLU HG3 1 1 3 1312 1 1 13 GLU N N 3.351 -2.544 6.228 1.00 . A A . 13 GLU N 1 1 3 1313 1 1 13 GLU O O 4.570 -5.632 4.998 1.00 . A A . 13 GLU O 1 1 3 1314 1 1 13 GLU OE1 O 1.421 -5.811 9.760 1.00 . A A . 13 GLU OE1 1 1 3 1315 1 1 13 GLU OE2 O 0.460 -3.860 9.809 1.00 . A A . 13 GLU OE2 1 1 3 1316 1 1 14 ASP C C 4.232 -4.564 2.114 1.00 . A A . 14 ASP C 1 1 3 1317 1 1 14 ASP CA C 2.967 -4.818 2.902 1.00 . A A . 14 ASP CA 1 1 3 1318 1 1 14 ASP CB C 1.752 -4.334 2.095 1.00 . A A . 14 ASP CB 1 1 3 1319 1 1 14 ASP CG C 0.403 -4.634 2.717 1.00 . A A . 14 ASP CG 1 1 3 1320 1 1 14 ASP H H 2.539 -3.366 4.360 1.00 . A A . 14 ASP H 1 1 3 1321 1 1 14 ASP HA H 2.873 -5.882 3.068 1.00 . A A . 14 ASP HA 1 1 3 1322 1 1 14 ASP HB2 H 1.819 -3.273 1.910 1.00 . A A . 14 ASP HB2 1 1 3 1323 1 1 14 ASP HB3 H 1.805 -4.868 1.163 1.00 . A A . 14 ASP HB3 1 1 3 1324 1 1 14 ASP N N 3.052 -4.185 4.192 1.00 . A A . 14 ASP N 1 1 3 1325 1 1 14 ASP O O 4.618 -5.357 1.282 1.00 . A A . 14 ASP O 1 1 3 1326 1 1 14 ASP OD1 O 0.023 -5.809 2.811 1.00 . A A . 14 ASP OD1 1 1 3 1327 1 1 14 ASP OD2 O -0.324 -3.690 3.095 1.00 . A A . 14 ASP OD2 1 1 3 1328 1 1 15 CYS C C 7.310 -3.551 2.484 1.00 . A A . 15 CYS C 1 1 3 1329 1 1 15 CYS CA C 6.091 -3.102 1.705 1.00 . A A . 15 CYS CA 1 1 3 1330 1 1 15 CYS CB C 6.149 -1.592 1.556 1.00 . A A . 15 CYS CB 1 1 3 1331 1 1 15 CYS H H 4.575 -2.902 3.133 1.00 . A A . 15 CYS H 1 1 3 1332 1 1 15 CYS HA H 6.086 -3.549 0.723 1.00 . A A . 15 CYS HA 1 1 3 1333 1 1 15 CYS HB2 H 6.451 -1.149 2.492 1.00 . A A . 15 CYS HB2 1 1 3 1334 1 1 15 CYS HB3 H 6.902 -1.357 0.817 1.00 . A A . 15 CYS HB3 1 1 3 1335 1 1 15 CYS N N 4.889 -3.477 2.407 1.00 . A A . 15 CYS N 1 1 3 1336 1 1 15 CYS O O 7.241 -3.781 3.695 1.00 . A A . 15 CYS O 1 1 3 1337 1 1 15 CYS SG S 4.588 -0.856 1.002 1.00 . A A . 15 CYS SG 1 1 3 1338 1 1 16 CYS C C 10.279 -2.812 3.153 1.00 . A A . 16 CYS C 1 1 3 1339 1 1 16 CYS CA C 9.668 -4.000 2.419 1.00 . A A . 16 CYS CA 1 1 3 1340 1 1 16 CYS CB C 10.672 -4.621 1.468 1.00 . A A . 16 CYS CB 1 1 3 1341 1 1 16 CYS H H 8.359 -3.651 0.816 1.00 . A A . 16 CYS H 1 1 3 1342 1 1 16 CYS HA H 9.439 -4.735 3.175 1.00 . A A . 16 CYS HA 1 1 3 1343 1 1 16 CYS HB2 H 10.540 -4.189 0.497 1.00 . A A . 16 CYS HB2 1 1 3 1344 1 1 16 CYS HB3 H 11.660 -4.329 1.769 1.00 . A A . 16 CYS HB3 1 1 3 1345 1 1 16 CYS N N 8.403 -3.706 1.793 1.00 . A A . 16 CYS N 1 1 3 1346 1 1 16 CYS O O 9.727 -1.698 3.185 1.00 . A A . 16 CYS O 1 1 3 1347 1 1 16 CYS SG S 10.631 -6.441 1.382 1.00 . A A . 16 CYS SG 1 1 3 1348 1 1 17 LYS C C 12.418 -0.851 4.108 1.00 . A A . 17 LYS C 1 1 3 1349 1 1 17 LYS CA C 12.197 -2.248 4.623 1.00 . A A . 17 LYS CA 1 1 3 1350 1 1 17 LYS CB C 13.559 -2.892 4.837 1.00 . A A . 17 LYS CB 1 1 3 1351 1 1 17 LYS CD C 14.835 -4.919 5.523 1.00 . A A . 17 LYS CD 1 1 3 1352 1 1 17 LYS CE C 14.725 -6.384 5.907 1.00 . A A . 17 LYS CE 1 1 3 1353 1 1 17 LYS CG C 13.470 -4.320 5.271 1.00 . A A . 17 LYS CG 1 1 3 1354 1 1 17 LYS H H 11.762 -3.982 3.470 1.00 . A A . 17 LYS H 1 1 3 1355 1 1 17 LYS HA H 11.709 -2.210 5.581 1.00 . A A . 17 LYS HA 1 1 3 1356 1 1 17 LYS HB2 H 14.115 -2.850 3.912 1.00 . A A . 17 LYS HB2 1 1 3 1357 1 1 17 LYS HB3 H 14.090 -2.336 5.593 1.00 . A A . 17 LYS HB3 1 1 3 1358 1 1 17 LYS HD2 H 15.432 -4.826 4.628 1.00 . A A . 17 LYS HD2 1 1 3 1359 1 1 17 LYS HD3 H 15.310 -4.382 6.330 1.00 . A A . 17 LYS HD3 1 1 3 1360 1 1 17 LYS HE2 H 14.169 -6.460 6.829 1.00 . A A . 17 LYS HE2 1 1 3 1361 1 1 17 LYS HE3 H 14.192 -6.905 5.126 1.00 . A A . 17 LYS HE3 1 1 3 1362 1 1 17 LYS HG2 H 12.872 -4.311 6.163 1.00 . A A . 17 LYS HG2 1 1 3 1363 1 1 17 LYS HG3 H 12.956 -4.884 4.506 1.00 . A A . 17 LYS HG3 1 1 3 1364 1 1 17 LYS HZ1 H 15.942 -8.002 6.374 1.00 . A A . 17 LYS HZ1 1 1 3 1365 1 1 17 LYS HZ2 H 16.586 -6.537 6.849 1.00 . A A . 17 LYS HZ2 1 1 3 1366 1 1 17 LYS HZ3 H 16.603 -6.985 5.212 1.00 . A A . 17 LYS HZ3 1 1 3 1367 1 1 17 LYS N N 11.417 -3.099 3.716 1.00 . A A . 17 LYS N 1 1 3 1368 1 1 17 LYS NZ N 16.051 -7.006 6.092 1.00 . A A . 17 LYS NZ 1 1 3 1369 1 1 17 LYS O O 11.963 0.127 4.695 1.00 . A A . 17 LYS O 1 1 3 1370 1 1 18 HIS C C 12.358 1.248 1.718 1.00 . A A . 18 HIS C 1 1 3 1371 1 1 18 HIS CA C 13.505 0.503 2.400 1.00 . A A . 18 HIS CA 1 1 3 1372 1 1 18 HIS CB C 14.636 0.278 1.379 1.00 . A A . 18 HIS CB 1 1 3 1373 1 1 18 HIS CD2 C 16.746 0.055 2.857 1.00 . A A . 18 HIS CD2 1 1 3 1374 1 1 18 HIS CE1 C 17.401 -1.919 2.246 1.00 . A A . 18 HIS CE1 1 1 3 1375 1 1 18 HIS CG C 15.859 -0.386 1.939 1.00 . A A . 18 HIS CG 1 1 3 1376 1 1 18 HIS H H 13.284 -1.649 2.593 1.00 . A A . 18 HIS H 1 1 3 1377 1 1 18 HIS HA H 13.891 1.122 3.197 1.00 . A A . 18 HIS HA 1 1 3 1378 1 1 18 HIS HB2 H 14.266 -0.340 0.576 1.00 . A A . 18 HIS HB2 1 1 3 1379 1 1 18 HIS HB3 H 14.931 1.235 0.973 1.00 . A A . 18 HIS HB3 1 1 3 1380 1 1 18 HIS HD1 H 15.871 -2.215 0.889 1.00 . A A . 18 HIS HD1 1 1 3 1381 1 1 18 HIS HD2 H 16.712 1.010 3.362 1.00 . A A . 18 HIS HD2 1 1 3 1382 1 1 18 HIS HE1 H 17.960 -2.837 2.153 1.00 . A A . 18 HIS HE1 1 1 3 1383 1 1 18 HIS N N 13.077 -0.779 3.001 1.00 . A A . 18 HIS N 1 1 3 1384 1 1 18 HIS ND1 N 16.294 -1.637 1.561 1.00 . A A . 18 HIS ND1 1 1 3 1385 1 1 18 HIS NE2 N 17.726 -0.919 3.056 1.00 . A A . 18 HIS NE2 1 1 3 1386 1 1 18 HIS O O 12.590 2.182 0.962 1.00 . A A . 18 HIS O 1 1 3 1387 1 1 19 LEU C C 8.925 1.762 2.382 1.00 . A A . 19 LEU C 1 1 3 1388 1 1 19 LEU CA C 10.006 1.468 1.372 1.00 . A A . 19 LEU CA 1 1 3 1389 1 1 19 LEU CB C 9.441 0.569 0.256 1.00 . A A . 19 LEU CB 1 1 3 1390 1 1 19 LEU CD1 C 11.175 -0.945 -0.803 1.00 . A A . 19 LEU CD1 1 1 3 1391 1 1 19 LEU CD2 C 9.529 0.287 -2.214 1.00 . A A . 19 LEU CD2 1 1 3 1392 1 1 19 LEU CG C 10.339 0.316 -0.955 1.00 . A A . 19 LEU CG 1 1 3 1393 1 1 19 LEU H H 10.986 0.180 2.685 1.00 . A A . 19 LEU H 1 1 3 1394 1 1 19 LEU HA H 10.302 2.413 0.935 1.00 . A A . 19 LEU HA 1 1 3 1395 1 1 19 LEU HB2 H 9.217 -0.390 0.702 1.00 . A A . 19 LEU HB2 1 1 3 1396 1 1 19 LEU HB3 H 8.510 0.996 -0.087 1.00 . A A . 19 LEU HB3 1 1 3 1397 1 1 19 LEU HD11 H 11.774 -1.072 -1.693 1.00 . A A . 19 LEU HD11 1 1 3 1398 1 1 19 LEU HD12 H 10.523 -1.797 -0.685 1.00 . A A . 19 LEU HD12 1 1 3 1399 1 1 19 LEU HD13 H 11.820 -0.853 0.058 1.00 . A A . 19 LEU HD13 1 1 3 1400 1 1 19 LEU HD21 H 8.791 -0.499 -2.151 1.00 . A A . 19 LEU HD21 1 1 3 1401 1 1 19 LEU HD22 H 10.180 0.100 -3.055 1.00 . A A . 19 LEU HD22 1 1 3 1402 1 1 19 LEU HD23 H 9.032 1.236 -2.348 1.00 . A A . 19 LEU HD23 1 1 3 1403 1 1 19 LEU HG H 11.034 1.140 -1.030 1.00 . A A . 19 LEU HG 1 1 3 1404 1 1 19 LEU N N 11.143 0.866 2.000 1.00 . A A . 19 LEU N 1 1 3 1405 1 1 19 LEU O O 9.069 1.461 3.573 1.00 . A A . 19 LEU O 1 1 3 1406 1 1 20 GLY C C 5.523 2.675 1.805 1.00 . A A . 20 GLY C 1 1 3 1407 1 1 20 GLY CA C 6.730 2.670 2.693 1.00 . A A . 20 GLY CA 1 1 3 1408 1 1 20 GLY H H 7.870 2.647 0.962 1.00 . A A . 20 GLY H 1 1 3 1409 1 1 20 GLY HA2 H 6.617 1.929 3.472 1.00 . A A . 20 GLY HA2 1 1 3 1410 1 1 20 GLY HA3 H 6.845 3.652 3.128 1.00 . A A . 20 GLY HA3 1 1 3 1411 1 1 20 GLY N N 7.880 2.371 1.907 1.00 . A A . 20 GLY N 1 1 3 1412 1 1 20 GLY O O 5.663 2.798 0.577 1.00 . A A . 20 GLY O 1 1 3 1413 1 1 21 CYS C C 2.595 3.845 1.236 1.00 . A A . 21 CYS C 1 1 3 1414 1 1 21 CYS CA C 3.162 2.472 1.569 1.00 . A A . 21 CYS CA 1 1 3 1415 1 1 21 CYS CB C 2.103 1.623 2.277 1.00 . A A . 21 CYS CB 1 1 3 1416 1 1 21 CYS H H 4.281 2.520 3.358 1.00 . A A . 21 CYS H 1 1 3 1417 1 1 21 CYS HA H 3.422 1.976 0.645 1.00 . A A . 21 CYS HA 1 1 3 1418 1 1 21 CYS HB2 H 2.479 0.616 2.395 1.00 . A A . 21 CYS HB2 1 1 3 1419 1 1 21 CYS HB3 H 1.916 2.044 3.254 1.00 . A A . 21 CYS HB3 1 1 3 1420 1 1 21 CYS N N 4.362 2.553 2.370 1.00 . A A . 21 CYS N 1 1 3 1421 1 1 21 CYS O O 2.468 4.722 2.104 1.00 . A A . 21 CYS O 1 1 3 1422 1 1 21 CYS SG S 0.502 1.512 1.401 1.00 . A A . 21 CYS SG 1 1 3 1423 1 1 22 LYS C C 0.187 4.898 -0.627 1.00 . A A . 22 LYS C 1 1 3 1424 1 1 22 LYS CA C 1.596 5.233 -0.407 1.00 . A A . 22 LYS CA 1 1 3 1425 1 1 22 LYS CB C 2.168 5.911 -1.625 1.00 . A A . 22 LYS CB 1 1 3 1426 1 1 22 LYS CD C 3.496 7.536 -0.291 1.00 . A A . 22 LYS CD 1 1 3 1427 1 1 22 LYS CE C 4.897 8.088 -0.088 1.00 . A A . 22 LYS CE 1 1 3 1428 1 1 22 LYS CG C 3.512 6.480 -1.384 1.00 . A A . 22 LYS CG 1 1 3 1429 1 1 22 LYS H H 2.575 3.429 -0.714 1.00 . A A . 22 LYS H 1 1 3 1430 1 1 22 LYS HA H 1.636 5.917 0.426 1.00 . A A . 22 LYS HA 1 1 3 1431 1 1 22 LYS HB2 H 2.236 5.187 -2.424 1.00 . A A . 22 LYS HB2 1 1 3 1432 1 1 22 LYS HB3 H 1.501 6.704 -1.924 1.00 . A A . 22 LYS HB3 1 1 3 1433 1 1 22 LYS HD2 H 2.803 8.316 -0.568 1.00 . A A . 22 LYS HD2 1 1 3 1434 1 1 22 LYS HD3 H 3.146 7.075 0.625 1.00 . A A . 22 LYS HD3 1 1 3 1435 1 1 22 LYS HE2 H 5.539 7.284 0.241 1.00 . A A . 22 LYS HE2 1 1 3 1436 1 1 22 LYS HE3 H 5.255 8.455 -1.039 1.00 . A A . 22 LYS HE3 1 1 3 1437 1 1 22 LYS HG2 H 4.073 5.635 -1.024 1.00 . A A . 22 LYS HG2 1 1 3 1438 1 1 22 LYS HG3 H 3.933 6.874 -2.297 1.00 . A A . 22 LYS HG3 1 1 3 1439 1 1 22 LYS HZ1 H 4.505 10.039 0.560 1.00 . A A . 22 LYS HZ1 1 1 3 1440 1 1 22 LYS HZ2 H 5.968 9.373 1.117 1.00 . A A . 22 LYS HZ2 1 1 3 1441 1 1 22 LYS HZ3 H 4.516 8.896 1.804 1.00 . A A . 22 LYS HZ3 1 1 3 1442 1 1 22 LYS N N 2.304 4.065 -0.016 1.00 . A A . 22 LYS N 1 1 3 1443 1 1 22 LYS NZ N 4.965 9.171 0.906 1.00 . A A . 22 LYS NZ 1 1 3 1444 1 1 22 LYS O O -0.189 4.341 -1.670 1.00 . A A . 22 LYS O 1 1 3 1445 1 1 23 ARG C C -2.737 5.841 -0.721 1.00 . A A . 23 ARG C 1 1 3 1446 1 1 23 ARG CA C -2.011 5.015 0.316 1.00 . A A . 23 ARG CA 1 1 3 1447 1 1 23 ARG CB C -2.636 5.257 1.694 1.00 . A A . 23 ARG CB 1 1 3 1448 1 1 23 ARG CD C -0.814 4.801 3.446 1.00 . A A . 23 ARG CD 1 1 3 1449 1 1 23 ARG CG C -2.133 4.367 2.826 1.00 . A A . 23 ARG CG 1 1 3 1450 1 1 23 ARG CZ C 0.628 3.713 5.175 1.00 . A A . 23 ARG CZ 1 1 3 1451 1 1 23 ARG H H -0.222 5.829 1.039 1.00 . A A . 23 ARG H 1 1 3 1452 1 1 23 ARG HA H -2.130 3.973 0.064 1.00 . A A . 23 ARG HA 1 1 3 1453 1 1 23 ARG HB2 H -2.447 6.283 1.974 1.00 . A A . 23 ARG HB2 1 1 3 1454 1 1 23 ARG HB3 H -3.704 5.122 1.606 1.00 . A A . 23 ARG HB3 1 1 3 1455 1 1 23 ARG HD2 H -0.017 4.645 2.734 1.00 . A A . 23 ARG HD2 1 1 3 1456 1 1 23 ARG HD3 H -0.869 5.846 3.716 1.00 . A A . 23 ARG HD3 1 1 3 1457 1 1 23 ARG HE H -1.368 3.679 5.106 1.00 . A A . 23 ARG HE 1 1 3 1458 1 1 23 ARG HG2 H -2.862 4.291 3.614 1.00 . A A . 23 ARG HG2 1 1 3 1459 1 1 23 ARG HG3 H -1.956 3.402 2.375 1.00 . A A . 23 ARG HG3 1 1 3 1460 1 1 23 ARG HH11 H 1.788 4.649 3.758 1.00 . A A . 23 ARG HH11 1 1 3 1461 1 1 23 ARG HH12 H 2.640 3.810 4.971 1.00 . A A . 23 ARG HH12 1 1 3 1462 1 1 23 ARG HH21 H -0.143 2.648 6.730 1.00 . A A . 23 ARG HH21 1 1 3 1463 1 1 23 ARG HH22 H 1.572 2.770 6.706 1.00 . A A . 23 ARG HH22 1 1 3 1464 1 1 23 ARG N N -0.609 5.297 0.310 1.00 . A A . 23 ARG N 1 1 3 1465 1 1 23 ARG NE N -0.557 4.011 4.655 1.00 . A A . 23 ARG NE 1 1 3 1466 1 1 23 ARG NH1 N 1.746 4.103 4.600 1.00 . A A . 23 ARG NH1 1 1 3 1467 1 1 23 ARG NH2 N 0.684 2.991 6.274 1.00 . A A . 23 ARG NH2 1 1 3 1468 1 1 23 ARG O O -3.931 5.663 -0.932 1.00 . A A . 23 ARG O 1 1 3 1469 1 1 24 LYS C C -2.583 6.917 -3.701 1.00 . A A . 24 LYS C 1 1 3 1470 1 1 24 LYS CA C -2.607 7.594 -2.363 1.00 . A A . 24 LYS CA 1 1 3 1471 1 1 24 LYS CB C -1.858 8.937 -2.424 1.00 . A A . 24 LYS CB 1 1 3 1472 1 1 24 LYS CD C -3.146 9.896 -0.491 1.00 . A A . 24 LYS CD 1 1 3 1473 1 1 24 LYS CE C -3.075 10.559 0.867 1.00 . A A . 24 LYS CE 1 1 3 1474 1 1 24 LYS CG C -1.769 9.663 -1.083 1.00 . A A . 24 LYS CG 1 1 3 1475 1 1 24 LYS H H -1.029 6.711 -1.260 1.00 . A A . 24 LYS H 1 1 3 1476 1 1 24 LYS HA H -3.634 7.770 -2.078 1.00 . A A . 24 LYS HA 1 1 3 1477 1 1 24 LYS HB2 H -0.854 8.755 -2.777 1.00 . A A . 24 LYS HB2 1 1 3 1478 1 1 24 LYS HB3 H -2.363 9.584 -3.127 1.00 . A A . 24 LYS HB3 1 1 3 1479 1 1 24 LYS HD2 H -3.715 10.528 -1.156 1.00 . A A . 24 LYS HD2 1 1 3 1480 1 1 24 LYS HD3 H -3.642 8.942 -0.387 1.00 . A A . 24 LYS HD3 1 1 3 1481 1 1 24 LYS HE2 H -2.450 9.962 1.513 1.00 . A A . 24 LYS HE2 1 1 3 1482 1 1 24 LYS HE3 H -2.642 11.541 0.759 1.00 . A A . 24 LYS HE3 1 1 3 1483 1 1 24 LYS HG2 H -1.191 9.060 -0.398 1.00 . A A . 24 LYS HG2 1 1 3 1484 1 1 24 LYS HG3 H -1.279 10.614 -1.229 1.00 . A A . 24 LYS HG3 1 1 3 1485 1 1 24 LYS HZ1 H -5.033 11.264 0.875 1.00 . A A . 24 LYS HZ1 1 1 3 1486 1 1 24 LYS HZ2 H -4.351 11.124 2.414 1.00 . A A . 24 LYS HZ2 1 1 3 1487 1 1 24 LYS HZ3 H -4.843 9.745 1.579 1.00 . A A . 24 LYS HZ3 1 1 3 1488 1 1 24 LYS N N -2.006 6.716 -1.390 1.00 . A A . 24 LYS N 1 1 3 1489 1 1 24 LYS NZ N -4.412 10.686 1.475 1.00 . A A . 24 LYS NZ 1 1 3 1490 1 1 24 LYS O O -3.469 7.088 -4.532 1.00 . A A . 24 LYS O 1 1 3 1491 1 1 25 MET C C -1.539 3.960 -5.021 1.00 . A A . 25 MET C 1 1 3 1492 1 1 25 MET CA C -1.349 5.459 -5.136 1.00 . A A . 25 MET CA 1 1 3 1493 1 1 25 MET CB C 0.036 5.781 -5.652 1.00 . A A . 25 MET CB 1 1 3 1494 1 1 25 MET CE C -0.447 6.820 -8.673 1.00 . A A . 25 MET CE 1 1 3 1495 1 1 25 MET CG C 0.266 7.245 -5.999 1.00 . A A . 25 MET CG 1 1 3 1496 1 1 25 MET H H -0.945 5.956 -3.148 1.00 . A A . 25 MET H 1 1 3 1497 1 1 25 MET HA H -2.066 5.851 -5.841 1.00 . A A . 25 MET HA 1 1 3 1498 1 1 25 MET HB2 H 0.784 5.460 -4.942 1.00 . A A . 25 MET HB2 1 1 3 1499 1 1 25 MET HB3 H 0.178 5.197 -6.542 1.00 . A A . 25 MET HB3 1 1 3 1500 1 1 25 MET HE1 H 0.600 6.938 -8.909 1.00 . A A . 25 MET HE1 1 1 3 1501 1 1 25 MET HE2 H -1.041 7.113 -9.527 1.00 . A A . 25 MET HE2 1 1 3 1502 1 1 25 MET HE3 H -0.652 5.788 -8.433 1.00 . A A . 25 MET HE3 1 1 3 1503 1 1 25 MET HG2 H 0.133 7.835 -5.104 1.00 . A A . 25 MET HG2 1 1 3 1504 1 1 25 MET HG3 H 1.280 7.359 -6.354 1.00 . A A . 25 MET HG3 1 1 3 1505 1 1 25 MET N N -1.567 6.121 -3.887 1.00 . A A . 25 MET N 1 1 3 1506 1 1 25 MET O O -1.508 3.252 -6.017 1.00 . A A . 25 MET O 1 1 3 1507 1 1 25 MET SD S -0.868 7.866 -7.271 1.00 . A A . 25 MET SD 1 1 3 1508 1 1 26 LYS C C -0.658 1.259 -3.764 1.00 . A A . 26 LYS C 1 1 3 1509 1 1 26 LYS CA C -1.886 2.067 -3.448 1.00 . A A . 26 LYS CA 1 1 3 1510 1 1 26 LYS CB C -3.142 1.452 -4.089 1.00 . A A . 26 LYS CB 1 1 3 1511 1 1 26 LYS CD C -4.457 2.359 -2.198 1.00 . A A . 26 LYS CD 1 1 3 1512 1 1 26 LYS CE C -5.760 2.970 -1.734 1.00 . A A . 26 LYS CE 1 1 3 1513 1 1 26 LYS CG C -4.421 2.156 -3.694 1.00 . A A . 26 LYS CG 1 1 3 1514 1 1 26 LYS H H -1.692 4.126 -3.043 1.00 . A A . 26 LYS H 1 1 3 1515 1 1 26 LYS HA H -1.991 2.024 -2.374 1.00 . A A . 26 LYS HA 1 1 3 1516 1 1 26 LYS HB2 H -3.036 1.485 -5.163 1.00 . A A . 26 LYS HB2 1 1 3 1517 1 1 26 LYS HB3 H -3.212 0.419 -3.782 1.00 . A A . 26 LYS HB3 1 1 3 1518 1 1 26 LYS HD2 H -4.305 1.405 -1.716 1.00 . A A . 26 LYS HD2 1 1 3 1519 1 1 26 LYS HD3 H -3.636 3.017 -1.949 1.00 . A A . 26 LYS HD3 1 1 3 1520 1 1 26 LYS HE2 H -5.934 3.884 -2.282 1.00 . A A . 26 LYS HE2 1 1 3 1521 1 1 26 LYS HE3 H -6.561 2.274 -1.932 1.00 . A A . 26 LYS HE3 1 1 3 1522 1 1 26 LYS HG2 H -4.456 3.118 -4.184 1.00 . A A . 26 LYS HG2 1 1 3 1523 1 1 26 LYS HG3 H -5.269 1.558 -3.994 1.00 . A A . 26 LYS HG3 1 1 3 1524 1 1 26 LYS HZ1 H -5.521 2.435 0.285 1.00 . A A . 26 LYS HZ1 1 1 3 1525 1 1 26 LYS HZ2 H -6.642 3.665 0.024 1.00 . A A . 26 LYS HZ2 1 1 3 1526 1 1 26 LYS HZ3 H -5.009 3.995 -0.098 1.00 . A A . 26 LYS HZ3 1 1 3 1527 1 1 26 LYS N N -1.705 3.492 -3.789 1.00 . A A . 26 LYS N 1 1 3 1528 1 1 26 LYS NZ N -5.731 3.274 -0.292 1.00 . A A . 26 LYS NZ 1 1 3 1529 1 1 26 LYS O O -0.730 0.051 -4.014 1.00 . A A . 26 LYS O 1 1 3 1530 1 1 27 TYR C C 2.805 1.713 -3.055 1.00 . A A . 27 TYR C 1 1 3 1531 1 1 27 TYR CA C 1.704 1.223 -3.933 1.00 . A A . 27 TYR CA 1 1 3 1532 1 1 27 TYR CB C 2.144 1.186 -5.425 1.00 . A A . 27 TYR CB 1 1 3 1533 1 1 27 TYR CD1 C 1.697 3.039 -7.084 1.00 . A A . 27 TYR CD1 1 1 3 1534 1 1 27 TYR CD2 C 3.690 3.174 -5.793 1.00 . A A . 27 TYR CD2 1 1 3 1535 1 1 27 TYR CE1 C 2.046 4.207 -7.733 1.00 . A A . 27 TYR CE1 1 1 3 1536 1 1 27 TYR CE2 C 4.036 4.343 -6.429 1.00 . A A . 27 TYR CE2 1 1 3 1537 1 1 27 TYR CG C 2.508 2.500 -6.104 1.00 . A A . 27 TYR CG 1 1 3 1538 1 1 27 TYR CZ C 3.213 4.855 -7.399 1.00 . A A . 27 TYR CZ 1 1 3 1539 1 1 27 TYR H H 0.425 2.826 -3.353 1.00 . A A . 27 TYR H 1 1 3 1540 1 1 27 TYR HA H 1.521 0.204 -3.622 1.00 . A A . 27 TYR HA 1 1 3 1541 1 1 27 TYR HB2 H 3.024 0.562 -5.484 1.00 . A A . 27 TYR HB2 1 1 3 1542 1 1 27 TYR HB3 H 1.364 0.704 -5.992 1.00 . A A . 27 TYR HB3 1 1 3 1543 1 1 27 TYR HD1 H 0.777 2.537 -7.340 1.00 . A A . 27 TYR HD1 1 1 3 1544 1 1 27 TYR HD2 H 4.339 2.775 -5.028 1.00 . A A . 27 TYR HD2 1 1 3 1545 1 1 27 TYR HE1 H 1.395 4.615 -8.491 1.00 . A A . 27 TYR HE1 1 1 3 1546 1 1 27 TYR HE2 H 4.951 4.852 -6.165 1.00 . A A . 27 TYR HE2 1 1 3 1547 1 1 27 TYR HH H 4.481 5.914 -8.333 1.00 . A A . 27 TYR HH 1 1 3 1548 1 1 27 TYR N N 0.463 1.900 -3.679 1.00 . A A . 27 TYR N 1 1 3 1549 1 1 27 TYR O O 2.744 2.820 -2.505 1.00 . A A . 27 TYR O 1 1 3 1550 1 1 27 TYR OH O 3.562 6.017 -8.046 1.00 . A A . 27 TYR OH 1 1 3 1551 1 1 28 CYS C C 5.896 2.101 -2.857 1.00 . A A . 28 CYS C 1 1 3 1552 1 1 28 CYS CA C 4.930 1.189 -2.126 1.00 . A A . 28 CYS CA 1 1 3 1553 1 1 28 CYS CB C 5.625 -0.107 -1.738 1.00 . A A . 28 CYS CB 1 1 3 1554 1 1 28 CYS H H 3.747 0.048 -3.423 1.00 . A A . 28 CYS H 1 1 3 1555 1 1 28 CYS HA H 4.591 1.676 -1.224 1.00 . A A . 28 CYS HA 1 1 3 1556 1 1 28 CYS HB2 H 6.044 -0.562 -2.624 1.00 . A A . 28 CYS HB2 1 1 3 1557 1 1 28 CYS HB3 H 6.419 0.111 -1.041 1.00 . A A . 28 CYS HB3 1 1 3 1558 1 1 28 CYS N N 3.798 0.903 -2.938 1.00 . A A . 28 CYS N 1 1 3 1559 1 1 28 CYS O O 6.236 1.871 -4.037 1.00 . A A . 28 CYS O 1 1 3 1560 1 1 28 CYS SG S 4.522 -1.328 -0.961 1.00 . A A . 28 CYS SG 1 1 3 1561 1 1 29 ALA C C 8.456 3.944 -1.727 1.00 . A A . 29 ALA C 1 1 3 1562 1 1 29 ALA CA C 7.283 4.060 -2.664 1.00 . A A . 29 ALA CA 1 1 3 1563 1 1 29 ALA CB C 6.725 5.469 -2.672 1.00 . A A . 29 ALA CB 1 1 3 1564 1 1 29 ALA H H 5.957 3.259 -1.266 1.00 . A A . 29 ALA H 1 1 3 1565 1 1 29 ALA HA H 7.577 3.767 -3.661 1.00 . A A . 29 ALA HA 1 1 3 1566 1 1 29 ALA HB1 H 6.399 5.734 -1.676 1.00 . A A . 29 ALA HB1 1 1 3 1567 1 1 29 ALA HB2 H 5.886 5.514 -3.351 1.00 . A A . 29 ALA HB2 1 1 3 1568 1 1 29 ALA HB3 H 7.494 6.154 -2.995 1.00 . A A . 29 ALA HB3 1 1 3 1569 1 1 29 ALA N N 6.302 3.134 -2.179 1.00 . A A . 29 ALA N 1 1 3 1570 1 1 29 ALA O O 8.386 3.161 -0.796 1.00 . A A . 29 ALA O 1 1 3 1571 1 1 30 TRP C C 10.510 5.108 0.350 1.00 . A A . 30 TRP C 1 1 3 1572 1 1 30 TRP CA C 10.688 4.578 -1.069 1.00 . A A . 30 TRP CA 1 1 3 1573 1 1 30 TRP CB C 11.906 5.200 -1.721 1.00 . A A . 30 TRP CB 1 1 3 1574 1 1 30 TRP CD1 C 12.161 5.052 -4.229 1.00 . A A . 30 TRP CD1 1 1 3 1575 1 1 30 TRP CD2 C 12.826 3.267 -3.122 1.00 . A A . 30 TRP CD2 1 1 3 1576 1 1 30 TRP CE2 C 13.039 3.030 -4.475 1.00 . A A . 30 TRP CE2 1 1 3 1577 1 1 30 TRP CE3 C 13.151 2.307 -2.212 1.00 . A A . 30 TRP CE3 1 1 3 1578 1 1 30 TRP CG C 12.285 4.553 -2.989 1.00 . A A . 30 TRP CG 1 1 3 1579 1 1 30 TRP CH2 C 13.892 0.892 -4.009 1.00 . A A . 30 TRP CH2 1 1 3 1580 1 1 30 TRP CZ2 C 13.574 1.840 -4.939 1.00 . A A . 30 TRP CZ2 1 1 3 1581 1 1 30 TRP CZ3 C 13.682 1.119 -2.650 1.00 . A A . 30 TRP CZ3 1 1 3 1582 1 1 30 TRP H H 9.467 5.467 -2.552 1.00 . A A . 30 TRP H 1 1 3 1583 1 1 30 TRP HA H 10.846 3.513 -1.024 1.00 . A A . 30 TRP HA 1 1 3 1584 1 1 30 TRP HB2 H 11.710 6.235 -1.934 1.00 . A A . 30 TRP HB2 1 1 3 1585 1 1 30 TRP HB3 H 12.747 5.130 -1.047 1.00 . A A . 30 TRP HB3 1 1 3 1586 1 1 30 TRP HD1 H 11.759 6.033 -4.425 1.00 . A A . 30 TRP HD1 1 1 3 1587 1 1 30 TRP HE1 H 12.661 4.266 -6.117 1.00 . A A . 30 TRP HE1 1 1 3 1588 1 1 30 TRP HE3 H 12.959 2.545 -1.177 1.00 . A A . 30 TRP HE3 1 1 3 1589 1 1 30 TRP HH2 H 14.310 -0.054 -4.319 1.00 . A A . 30 TRP HH2 1 1 3 1590 1 1 30 TRP HZ2 H 13.738 1.659 -5.990 1.00 . A A . 30 TRP HZ2 1 1 3 1591 1 1 30 TRP HZ3 H 13.943 0.349 -1.938 1.00 . A A . 30 TRP HZ3 1 1 3 1592 1 1 30 TRP N N 9.489 4.739 -1.896 1.00 . A A . 30 TRP N 1 1 3 1593 1 1 30 TRP NE1 N 12.630 4.145 -5.144 1.00 . A A . 30 TRP NE1 1 1 3 1594 1 1 30 TRP O O 11.432 5.051 1.171 1.00 . A A . 30 TRP O 1 1 3 1595 1 1 31 ASP C C 7.527 6.077 2.020 1.00 . A A . 31 ASP C 1 1 3 1596 1 1 31 ASP CA C 9.007 6.114 1.895 1.00 . A A . 31 ASP CA 1 1 3 1597 1 1 31 ASP CB C 9.487 7.572 2.023 1.00 . A A . 31 ASP CB 1 1 3 1598 1 1 31 ASP CG C 8.694 8.584 1.167 1.00 . A A . 31 ASP CG 1 1 3 1599 1 1 31 ASP H H 8.577 5.538 0.018 1.00 . A A . 31 ASP H 1 1 3 1600 1 1 31 ASP HA H 9.474 5.515 2.661 1.00 . A A . 31 ASP HA 1 1 3 1601 1 1 31 ASP HB2 H 9.440 7.861 3.061 1.00 . A A . 31 ASP HB2 1 1 3 1602 1 1 31 ASP HB3 H 10.515 7.558 1.694 1.00 . A A . 31 ASP HB3 1 1 3 1603 1 1 31 ASP N N 9.329 5.575 0.643 1.00 . A A . 31 ASP N 1 1 3 1604 1 1 31 ASP O O 6.816 5.957 1.017 1.00 . A A . 31 ASP O 1 1 3 1605 1 1 31 ASP OD1 O 9.128 8.914 0.043 1.00 . A A . 31 ASP OD1 1 1 3 1606 1 1 31 ASP OD2 O 7.625 9.075 1.609 1.00 . A A . 31 ASP OD2 1 1 3 1607 1 1 32 PHE C C 5.367 7.705 3.777 1.00 . A A . 32 PHE C 1 1 3 1608 1 1 32 PHE CA C 5.667 6.249 3.487 1.00 . A A . 32 PHE CA 1 1 3 1609 1 1 32 PHE CB C 5.170 5.312 4.606 1.00 . A A . 32 PHE CB 1 1 3 1610 1 1 32 PHE CD1 C 6.975 4.270 6.022 1.00 . A A . 32 PHE CD1 1 1 3 1611 1 1 32 PHE CD2 C 5.783 6.124 6.908 1.00 . A A . 32 PHE CD2 1 1 3 1612 1 1 32 PHE CE1 C 7.715 4.183 7.180 1.00 . A A . 32 PHE CE1 1 1 3 1613 1 1 32 PHE CE2 C 6.522 6.046 8.070 1.00 . A A . 32 PHE CE2 1 1 3 1614 1 1 32 PHE CG C 5.999 5.245 5.871 1.00 . A A . 32 PHE CG 1 1 3 1615 1 1 32 PHE CZ C 7.490 5.074 8.206 1.00 . A A . 32 PHE CZ 1 1 3 1616 1 1 32 PHE H H 7.755 5.994 3.910 1.00 . A A . 32 PHE H 1 1 3 1617 1 1 32 PHE HA H 5.160 5.995 2.562 1.00 . A A . 32 PHE HA 1 1 3 1618 1 1 32 PHE HB2 H 4.183 5.633 4.901 1.00 . A A . 32 PHE HB2 1 1 3 1619 1 1 32 PHE HB3 H 5.090 4.311 4.207 1.00 . A A . 32 PHE HB3 1 1 3 1620 1 1 32 PHE HD1 H 7.158 3.572 5.218 1.00 . A A . 32 PHE HD1 1 1 3 1621 1 1 32 PHE HD2 H 5.021 6.882 6.799 1.00 . A A . 32 PHE HD2 1 1 3 1622 1 1 32 PHE HE1 H 8.471 3.419 7.281 1.00 . A A . 32 PHE HE1 1 1 3 1623 1 1 32 PHE HE2 H 6.343 6.747 8.873 1.00 . A A . 32 PHE HE2 1 1 3 1624 1 1 32 PHE HZ H 8.069 5.008 9.114 1.00 . A A . 32 PHE HZ 1 1 3 1625 1 1 32 PHE N N 7.075 6.099 3.213 1.00 . A A . 32 PHE N 1 1 3 1626 1 1 32 PHE O O 4.286 8.210 3.450 1.00 . A A . 32 PHE O 1 1 3 1627 1 1 33 THR C C 7.724 10.185 5.011 1.00 . A A . 33 THR C 1 1 3 1628 1 1 33 THR CA C 6.307 9.789 4.597 1.00 . A A . 33 THR CA 1 1 3 1629 1 1 33 THR CB C 5.267 10.141 5.730 1.00 . A A . 33 THR CB 1 1 3 1630 1 1 33 THR CG2 C 5.748 9.680 7.098 1.00 . A A . 33 THR CG2 1 1 3 1631 1 1 33 THR H H 7.197 7.940 4.546 1.00 . A A . 33 THR H 1 1 3 1632 1 1 33 THR HA H 6.051 10.303 3.681 1.00 . A A . 33 THR HA 1 1 3 1633 1 1 33 THR HB H 4.335 9.648 5.499 1.00 . A A . 33 THR HB 1 1 3 1634 1 1 33 THR HG1 H 4.093 11.667 5.957 1.00 . A A . 33 THR HG1 1 1 3 1635 1 1 33 THR HG21 H 5.937 8.617 7.084 1.00 . A A . 33 THR HG21 1 1 3 1636 1 1 33 THR HG22 H 4.991 9.902 7.836 1.00 . A A . 33 THR HG22 1 1 3 1637 1 1 33 THR HG23 H 6.658 10.204 7.351 1.00 . A A . 33 THR HG23 1 1 3 1638 1 1 33 THR N N 6.352 8.383 4.318 1.00 . A A . 33 THR N 1 1 3 1639 1 1 33 THR O O 8.565 9.292 5.254 1.00 . A A . 33 THR O 1 1 3 1640 1 1 33 THR OG1 O 5.040 11.561 5.789 1.00 . A A . 33 THR OG1 1 1 3 1641 1 1 34 PHE C C 9.402 11.833 6.984 1.00 . A A . 34 PHE C 1 1 3 1642 1 1 34 PHE CA C 9.289 11.970 5.470 1.00 . A A . 34 PHE CA 1 1 3 1643 1 1 34 PHE CB C 9.442 13.441 5.040 1.00 . A A . 34 PHE CB 1 1 3 1644 1 1 34 PHE CD1 C 10.961 14.772 6.547 1.00 . A A . 34 PHE CD1 1 1 3 1645 1 1 34 PHE CD2 C 11.829 13.984 4.472 1.00 . A A . 34 PHE CD2 1 1 3 1646 1 1 34 PHE CE1 C 12.174 15.362 6.838 1.00 . A A . 34 PHE CE1 1 1 3 1647 1 1 34 PHE CE2 C 13.045 14.573 4.759 1.00 . A A . 34 PHE CE2 1 1 3 1648 1 1 34 PHE CG C 10.773 14.075 5.362 1.00 . A A . 34 PHE CG 1 1 3 1649 1 1 34 PHE CZ C 13.218 15.262 5.943 1.00 . A A . 34 PHE CZ 1 1 3 1650 1 1 34 PHE H H 7.306 12.100 4.768 1.00 . A A . 34 PHE H 1 1 3 1651 1 1 34 PHE HA H 10.059 11.378 4.999 1.00 . A A . 34 PHE HA 1 1 3 1652 1 1 34 PHE HB2 H 9.309 13.501 3.971 1.00 . A A . 34 PHE HB2 1 1 3 1653 1 1 34 PHE HB3 H 8.669 14.024 5.520 1.00 . A A . 34 PHE HB3 1 1 3 1654 1 1 34 PHE HD1 H 10.144 14.847 7.247 1.00 . A A . 34 PHE HD1 1 1 3 1655 1 1 34 PHE HD2 H 11.697 13.446 3.545 1.00 . A A . 34 PHE HD2 1 1 3 1656 1 1 34 PHE HE1 H 12.304 15.901 7.764 1.00 . A A . 34 PHE HE1 1 1 3 1657 1 1 34 PHE HE2 H 13.864 14.496 4.059 1.00 . A A . 34 PHE HE2 1 1 3 1658 1 1 34 PHE HZ H 14.168 15.722 6.168 1.00 . A A . 34 PHE HZ 1 1 3 1659 1 1 34 PHE N N 8.002 11.466 5.046 1.00 . A A . 34 PHE N 1 1 3 1660 1 1 34 PHE O O 8.730 12.542 7.738 1.00 . A A . 34 PHE O 1 1 3 1661 1 1 35 THR C C 11.726 11.215 9.309 1.00 . A A . 35 THR C 1 1 3 1662 1 1 35 THR CA C 10.392 10.660 8.826 1.00 . A A . 35 THR CA 1 1 3 1663 1 1 35 THR CB C 10.308 9.158 9.111 1.00 . A A . 35 THR CB 1 1 3 1664 1 1 35 THR CG2 C 8.873 8.667 9.011 1.00 . A A . 35 THR CG2 1 1 3 1665 1 1 35 THR H H 10.697 10.347 6.786 1.00 . A A . 35 THR H 1 1 3 1666 1 1 35 THR HA H 9.591 11.153 9.355 1.00 . A A . 35 THR HA 1 1 3 1667 1 1 35 THR HB H 10.682 8.968 10.107 1.00 . A A . 35 THR HB 1 1 3 1668 1 1 35 THR HG1 H 11.584 7.762 8.640 1.00 . A A . 35 THR HG1 1 1 3 1669 1 1 35 THR HG21 H 8.838 7.606 9.211 1.00 . A A . 35 THR HG21 1 1 3 1670 1 1 35 THR HG22 H 8.500 8.856 8.015 1.00 . A A . 35 THR HG22 1 1 3 1671 1 1 35 THR HG23 H 8.259 9.189 9.729 1.00 . A A . 35 THR HG23 1 1 3 1672 1 1 35 THR N N 10.199 10.907 7.418 1.00 . A A . 35 THR N 1 1 3 1673 1 1 35 THR O O 12.415 11.954 8.570 1.00 . A A . 35 THR O 1 1 3 1674 1 1 35 THR OG1 O 11.116 8.458 8.158 1.00 . A A . 35 THR OG1 1 1 4 1675 1 1 1 ASP C C 7.677 -10.466 0.911 1.00 . A A . 1 ASP C 1 1 4 1676 1 1 1 ASP CA C 8.366 -11.785 0.703 1.00 . A A . 1 ASP CA 1 1 4 1677 1 1 1 ASP CB C 8.378 -12.117 -0.803 1.00 . A A . 1 ASP CB 1 1 4 1678 1 1 1 ASP CG C 7.010 -12.013 -1.459 1.00 . A A . 1 ASP CG 1 1 4 1679 1 1 1 ASP H1 H 8.069 -13.745 1.399 1.00 . A A . 1 ASP H1 1 1 4 1680 1 1 1 ASP H2 H 6.661 -12.871 1.082 1.00 . A A . 1 ASP H2 1 1 4 1681 1 1 1 ASP H3 H 7.554 -12.518 2.455 1.00 . A A . 1 ASP H3 1 1 4 1682 1 1 1 ASP HA H 9.377 -11.729 1.078 1.00 . A A . 1 ASP HA 1 1 4 1683 1 1 1 ASP HB2 H 9.042 -11.435 -1.312 1.00 . A A . 1 ASP HB2 1 1 4 1684 1 1 1 ASP HB3 H 8.741 -13.125 -0.935 1.00 . A A . 1 ASP HB3 1 1 4 1685 1 1 1 ASP N N 7.630 -12.808 1.458 1.00 . A A . 1 ASP N 1 1 4 1686 1 1 1 ASP O O 6.491 -10.435 1.230 1.00 . A A . 1 ASP O 1 1 4 1687 1 1 1 ASP OD1 O 6.093 -12.773 -1.078 1.00 . A A . 1 ASP OD1 1 1 4 1688 1 1 1 ASP OD2 O 6.842 -11.205 -2.404 1.00 . A A . 1 ASP OD2 1 1 4 1689 1 1 2 CYS C C 7.481 -7.547 -0.441 1.00 . A A . 2 CYS C 1 1 4 1690 1 1 2 CYS CA C 7.778 -8.111 0.901 1.00 . A A . 2 CYS CA 1 1 4 1691 1 1 2 CYS CB C 8.636 -7.169 1.709 1.00 . A A . 2 CYS CB 1 1 4 1692 1 1 2 CYS H H 9.336 -9.388 0.522 1.00 . A A . 2 CYS H 1 1 4 1693 1 1 2 CYS HA H 6.834 -8.234 1.410 1.00 . A A . 2 CYS HA 1 1 4 1694 1 1 2 CYS HB2 H 8.192 -6.196 1.580 1.00 . A A . 2 CYS HB2 1 1 4 1695 1 1 2 CYS HB3 H 8.593 -7.439 2.748 1.00 . A A . 2 CYS HB3 1 1 4 1696 1 1 2 CYS N N 8.384 -9.385 0.763 1.00 . A A . 2 CYS N 1 1 4 1697 1 1 2 CYS O O 8.041 -7.987 -1.462 1.00 . A A . 2 CYS O 1 1 4 1698 1 1 2 CYS SG S 10.359 -7.023 1.154 1.00 . A A . 2 CYS SG 1 1 4 1699 1 1 3 ARG C C 7.145 -4.869 -2.004 1.00 . A A . 3 ARG C 1 1 4 1700 1 1 3 ARG CA C 6.194 -6.020 -1.691 1.00 . A A . 3 ARG CA 1 1 4 1701 1 1 3 ARG CB C 4.739 -5.553 -1.581 1.00 . A A . 3 ARG CB 1 1 4 1702 1 1 3 ARG CD C 4.023 -6.605 -3.753 1.00 . A A . 3 ARG CD 1 1 4 1703 1 1 3 ARG CG C 4.047 -5.321 -2.910 1.00 . A A . 3 ARG CG 1 1 4 1704 1 1 3 ARG CZ C 4.008 -8.937 -2.796 1.00 . A A . 3 ARG CZ 1 1 4 1705 1 1 3 ARG H H 6.212 -6.344 0.398 1.00 . A A . 3 ARG H 1 1 4 1706 1 1 3 ARG HA H 6.276 -6.771 -2.461 1.00 . A A . 3 ARG HA 1 1 4 1707 1 1 3 ARG HB2 H 4.181 -6.301 -1.039 1.00 . A A . 3 ARG HB2 1 1 4 1708 1 1 3 ARG HB3 H 4.716 -4.631 -1.019 1.00 . A A . 3 ARG HB3 1 1 4 1709 1 1 3 ARG HD2 H 3.448 -6.411 -4.647 1.00 . A A . 3 ARG HD2 1 1 4 1710 1 1 3 ARG HD3 H 5.029 -6.861 -4.037 1.00 . A A . 3 ARG HD3 1 1 4 1711 1 1 3 ARG HE H 2.478 -7.619 -2.747 1.00 . A A . 3 ARG HE 1 1 4 1712 1 1 3 ARG HG2 H 3.034 -4.988 -2.735 1.00 . A A . 3 ARG HG2 1 1 4 1713 1 1 3 ARG HG3 H 4.599 -4.561 -3.443 1.00 . A A . 3 ARG HG3 1 1 4 1714 1 1 3 ARG HH11 H 5.828 -8.431 -3.592 1.00 . A A . 3 ARG HH11 1 1 4 1715 1 1 3 ARG HH12 H 5.765 -10.001 -2.926 1.00 . A A . 3 ARG HH12 1 1 4 1716 1 1 3 ARG HH21 H 2.373 -9.779 -1.901 1.00 . A A . 3 ARG HH21 1 1 4 1717 1 1 3 ARG HH22 H 3.723 -10.806 -2.005 1.00 . A A . 3 ARG HH22 1 1 4 1718 1 1 3 ARG N N 6.600 -6.624 -0.463 1.00 . A A . 3 ARG N 1 1 4 1719 1 1 3 ARG NE N 3.408 -7.748 -3.041 1.00 . A A . 3 ARG NE 1 1 4 1720 1 1 3 ARG NH1 N 5.280 -9.137 -3.138 1.00 . A A . 3 ARG NH1 1 1 4 1721 1 1 3 ARG NH2 N 3.327 -9.900 -2.192 1.00 . A A . 3 ARG NH2 1 1 4 1722 1 1 3 ARG O O 7.473 -4.070 -1.117 1.00 . A A . 3 ARG O 1 1 4 1723 1 1 4 TYR C C 7.839 -2.602 -4.203 1.00 . A A . 4 TYR C 1 1 4 1724 1 1 4 TYR CA C 8.555 -3.827 -3.617 1.00 . A A . 4 TYR CA 1 1 4 1725 1 1 4 TYR CB C 9.531 -4.427 -4.603 1.00 . A A . 4 TYR CB 1 1 4 1726 1 1 4 TYR CD1 C 11.370 -5.115 -2.993 1.00 . A A . 4 TYR CD1 1 1 4 1727 1 1 4 TYR CD2 C 10.491 -6.759 -4.471 1.00 . A A . 4 TYR CD2 1 1 4 1728 1 1 4 TYR CE1 C 12.240 -6.043 -2.471 1.00 . A A . 4 TYR CE1 1 1 4 1729 1 1 4 TYR CE2 C 11.361 -7.693 -3.945 1.00 . A A . 4 TYR CE2 1 1 4 1730 1 1 4 TYR CG C 10.474 -5.457 -4.006 1.00 . A A . 4 TYR CG 1 1 4 1731 1 1 4 TYR CZ C 12.232 -7.326 -2.944 1.00 . A A . 4 TYR CZ 1 1 4 1732 1 1 4 TYR H H 7.421 -5.489 -3.901 1.00 . A A . 4 TYR H 1 1 4 1733 1 1 4 TYR HA H 9.108 -3.518 -2.744 1.00 . A A . 4 TYR HA 1 1 4 1734 1 1 4 TYR HB2 H 8.964 -4.892 -5.393 1.00 . A A . 4 TYR HB2 1 1 4 1735 1 1 4 TYR HB3 H 10.111 -3.641 -5.038 1.00 . A A . 4 TYR HB3 1 1 4 1736 1 1 4 TYR HD1 H 11.394 -4.117 -2.576 1.00 . A A . 4 TYR HD1 1 1 4 1737 1 1 4 TYR HD2 H 9.810 -7.045 -5.258 1.00 . A A . 4 TYR HD2 1 1 4 1738 1 1 4 TYR HE1 H 12.924 -5.753 -1.688 1.00 . A A . 4 TYR HE1 1 1 4 1739 1 1 4 TYR HE2 H 11.354 -8.706 -4.319 1.00 . A A . 4 TYR HE2 1 1 4 1740 1 1 4 TYR HH H 13.527 -8.751 -3.116 1.00 . A A . 4 TYR HH 1 1 4 1741 1 1 4 TYR N N 7.640 -4.828 -3.212 1.00 . A A . 4 TYR N 1 1 4 1742 1 1 4 TYR O O 6.615 -2.449 -4.055 1.00 . A A . 4 TYR O 1 1 4 1743 1 1 4 TYR OH O 13.101 -8.258 -2.402 1.00 . A A . 4 TYR OH 1 1 4 1744 1 1 5 MET C C 7.061 -0.703 -6.440 1.00 . A A . 5 MET C 1 1 4 1745 1 1 5 MET CA C 8.094 -0.471 -5.368 1.00 . A A . 5 MET CA 1 1 4 1746 1 1 5 MET CB C 9.233 0.397 -5.904 1.00 . A A . 5 MET CB 1 1 4 1747 1 1 5 MET CE C 9.529 4.516 -6.276 1.00 . A A . 5 MET CE 1 1 4 1748 1 1 5 MET CG C 8.873 1.862 -5.977 1.00 . A A . 5 MET CG 1 1 4 1749 1 1 5 MET H H 9.544 -1.962 -5.018 1.00 . A A . 5 MET H 1 1 4 1750 1 1 5 MET HA H 7.603 0.067 -4.569 1.00 . A A . 5 MET HA 1 1 4 1751 1 1 5 MET HB2 H 10.109 0.294 -5.284 1.00 . A A . 5 MET HB2 1 1 4 1752 1 1 5 MET HB3 H 9.475 0.067 -6.904 1.00 . A A . 5 MET HB3 1 1 4 1753 1 1 5 MET HE1 H 10.240 5.262 -6.599 1.00 . A A . 5 MET HE1 1 1 4 1754 1 1 5 MET HE2 H 9.339 4.648 -5.221 1.00 . A A . 5 MET HE2 1 1 4 1755 1 1 5 MET HE3 H 8.610 4.610 -6.835 1.00 . A A . 5 MET HE3 1 1 4 1756 1 1 5 MET HG2 H 8.046 1.987 -6.661 1.00 . A A . 5 MET HG2 1 1 4 1757 1 1 5 MET HG3 H 8.574 2.174 -4.989 1.00 . A A . 5 MET HG3 1 1 4 1758 1 1 5 MET N N 8.602 -1.736 -4.859 1.00 . A A . 5 MET N 1 1 4 1759 1 1 5 MET O O 7.194 -1.627 -7.238 1.00 . A A . 5 MET O 1 1 4 1760 1 1 5 MET SD S 10.231 2.890 -6.522 1.00 . A A . 5 MET SD 1 1 4 1761 1 1 6 PHE C C 3.995 -1.144 -7.100 1.00 . A A . 6 PHE C 1 1 4 1762 1 1 6 PHE CA C 4.879 0.062 -7.357 1.00 . A A . 6 PHE CA 1 1 4 1763 1 1 6 PHE CB C 5.322 0.125 -8.829 1.00 . A A . 6 PHE CB 1 1 4 1764 1 1 6 PHE CD1 C 5.389 2.533 -9.502 1.00 . A A . 6 PHE CD1 1 1 4 1765 1 1 6 PHE CD2 C 7.446 1.386 -9.182 1.00 . A A . 6 PHE CD2 1 1 4 1766 1 1 6 PHE CE1 C 6.079 3.683 -9.822 1.00 . A A . 6 PHE CE1 1 1 4 1767 1 1 6 PHE CE2 C 8.142 2.524 -9.496 1.00 . A A . 6 PHE CE2 1 1 4 1768 1 1 6 PHE CG C 6.067 1.375 -9.179 1.00 . A A . 6 PHE CG 1 1 4 1769 1 1 6 PHE CZ C 7.461 3.679 -9.818 1.00 . A A . 6 PHE CZ 1 1 4 1770 1 1 6 PHE H H 5.985 0.799 -5.701 1.00 . A A . 6 PHE H 1 1 4 1771 1 1 6 PHE HA H 4.279 0.934 -7.139 1.00 . A A . 6 PHE HA 1 1 4 1772 1 1 6 PHE HB2 H 5.969 -0.714 -9.035 1.00 . A A . 6 PHE HB2 1 1 4 1773 1 1 6 PHE HB3 H 4.449 0.063 -9.462 1.00 . A A . 6 PHE HB3 1 1 4 1774 1 1 6 PHE HD1 H 4.308 2.529 -9.498 1.00 . A A . 6 PHE HD1 1 1 4 1775 1 1 6 PHE HD2 H 7.982 0.483 -8.931 1.00 . A A . 6 PHE HD2 1 1 4 1776 1 1 6 PHE HE1 H 5.541 4.585 -10.073 1.00 . A A . 6 PHE HE1 1 1 4 1777 1 1 6 PHE HE2 H 9.222 2.497 -9.476 1.00 . A A . 6 PHE HE2 1 1 4 1778 1 1 6 PHE HZ H 8.006 4.575 -10.069 1.00 . A A . 6 PHE HZ 1 1 4 1779 1 1 6 PHE N N 6.008 0.118 -6.411 1.00 . A A . 6 PHE N 1 1 4 1780 1 1 6 PHE O O 3.089 -1.446 -7.877 1.00 . A A . 6 PHE O 1 1 4 1781 1 1 7 GLY C C 2.319 -2.402 -4.734 1.00 . A A . 7 GLY C 1 1 4 1782 1 1 7 GLY CA C 3.419 -2.901 -5.623 1.00 . A A . 7 GLY CA 1 1 4 1783 1 1 7 GLY H H 5.021 -1.588 -5.457 1.00 . A A . 7 GLY H 1 1 4 1784 1 1 7 GLY HA2 H 2.996 -3.350 -6.509 1.00 . A A . 7 GLY HA2 1 1 4 1785 1 1 7 GLY HA3 H 4.004 -3.634 -5.089 1.00 . A A . 7 GLY HA3 1 1 4 1786 1 1 7 GLY N N 4.247 -1.817 -6.013 1.00 . A A . 7 GLY N 1 1 4 1787 1 1 7 GLY O O 2.563 -1.538 -3.884 1.00 . A A . 7 GLY O 1 1 4 1788 1 1 8 ASP C C 0.068 -2.759 -2.759 1.00 . A A . 8 ASP C 1 1 4 1789 1 1 8 ASP CA C -0.095 -2.540 -4.220 1.00 . A A . 8 ASP CA 1 1 4 1790 1 1 8 ASP CB C -1.265 -3.348 -4.734 1.00 . A A . 8 ASP CB 1 1 4 1791 1 1 8 ASP CG C -2.558 -3.186 -3.958 1.00 . A A . 8 ASP CG 1 1 4 1792 1 1 8 ASP H H 1.055 -3.593 -5.661 1.00 . A A . 8 ASP H 1 1 4 1793 1 1 8 ASP HA H -0.297 -1.495 -4.399 1.00 . A A . 8 ASP HA 1 1 4 1794 1 1 8 ASP HB2 H -1.435 -2.962 -5.720 1.00 . A A . 8 ASP HB2 1 1 4 1795 1 1 8 ASP HB3 H -0.994 -4.390 -4.779 1.00 . A A . 8 ASP HB3 1 1 4 1796 1 1 8 ASP N N 1.123 -2.910 -4.962 1.00 . A A . 8 ASP N 1 1 4 1797 1 1 8 ASP O O 0.716 -3.733 -2.334 1.00 . A A . 8 ASP O 1 1 4 1798 1 1 8 ASP OD1 O -3.281 -2.204 -4.183 1.00 . A A . 8 ASP OD1 1 1 4 1799 1 1 8 ASP OD2 O -2.901 -4.095 -3.156 1.00 . A A . 8 ASP OD2 1 1 4 1800 1 1 9 CYS C C -1.528 -1.491 0.187 1.00 . A A . 9 CYS C 1 1 4 1801 1 1 9 CYS CA C -0.323 -1.996 -0.577 1.00 . A A . 9 CYS CA 1 1 4 1802 1 1 9 CYS CB C 0.917 -1.212 -0.202 1.00 . A A . 9 CYS CB 1 1 4 1803 1 1 9 CYS H H -1.068 -1.189 -2.367 1.00 . A A . 9 CYS H 1 1 4 1804 1 1 9 CYS HA H -0.145 -3.032 -0.332 1.00 . A A . 9 CYS HA 1 1 4 1805 1 1 9 CYS HB2 H 1.218 -1.420 0.813 1.00 . A A . 9 CYS HB2 1 1 4 1806 1 1 9 CYS HB3 H 1.660 -1.566 -0.903 1.00 . A A . 9 CYS HB3 1 1 4 1807 1 1 9 CYS N N -0.507 -1.901 -1.982 1.00 . A A . 9 CYS N 1 1 4 1808 1 1 9 CYS O O -2.287 -0.634 -0.304 1.00 . A A . 9 CYS O 1 1 4 1809 1 1 9 CYS SG S 0.771 0.602 -0.443 1.00 . A A . 9 CYS SG 1 1 4 1810 1 1 10 GLU C C -2.125 -1.039 3.506 1.00 . A A . 10 GLU C 1 1 4 1811 1 1 10 GLU CA C -2.757 -1.617 2.267 1.00 . A A . 10 GLU CA 1 1 4 1812 1 1 10 GLU CB C -3.653 -2.791 2.616 1.00 . A A . 10 GLU CB 1 1 4 1813 1 1 10 GLU CD C -5.730 -2.219 1.344 1.00 . A A . 10 GLU CD 1 1 4 1814 1 1 10 GLU CG C -4.595 -3.198 1.501 1.00 . A A . 10 GLU CG 1 1 4 1815 1 1 10 GLU H H -1.109 -2.754 1.665 1.00 . A A . 10 GLU H 1 1 4 1816 1 1 10 GLU HA H -3.340 -0.851 1.776 1.00 . A A . 10 GLU HA 1 1 4 1817 1 1 10 GLU HB2 H -3.026 -3.635 2.860 1.00 . A A . 10 GLU HB2 1 1 4 1818 1 1 10 GLU HB3 H -4.243 -2.531 3.483 1.00 . A A . 10 GLU HB3 1 1 4 1819 1 1 10 GLU HG2 H -4.038 -3.230 0.576 1.00 . A A . 10 GLU HG2 1 1 4 1820 1 1 10 GLU HG3 H -4.998 -4.176 1.711 1.00 . A A . 10 GLU HG3 1 1 4 1821 1 1 10 GLU N N -1.711 -2.033 1.365 1.00 . A A . 10 GLU N 1 1 4 1822 1 1 10 GLU O O -2.650 -0.110 4.110 1.00 . A A . 10 GLU O 1 1 4 1823 1 1 10 GLU OE1 O -5.604 -1.234 0.585 1.00 . A A . 10 GLU OE1 1 1 4 1824 1 1 10 GLU OE2 O -6.781 -2.405 2.001 1.00 . A A . 10 GLU OE2 1 1 4 1825 1 1 11 LYS C C 1.215 -1.163 4.587 1.00 . A A . 11 LYS C 1 1 4 1826 1 1 11 LYS CA C -0.222 -1.127 4.969 1.00 . A A . 11 LYS CA 1 1 4 1827 1 1 11 LYS CB C -0.489 -1.937 6.245 1.00 . A A . 11 LYS CB 1 1 4 1828 1 1 11 LYS CD C -0.694 -4.148 7.389 1.00 . A A . 11 LYS CD 1 1 4 1829 1 1 11 LYS CE C -0.935 -5.638 7.219 1.00 . A A . 11 LYS CE 1 1 4 1830 1 1 11 LYS CG C -0.502 -3.447 6.060 1.00 . A A . 11 LYS CG 1 1 4 1831 1 1 11 LYS H H -0.610 -2.367 3.394 1.00 . A A . 11 LYS H 1 1 4 1832 1 1 11 LYS HA H -0.472 -0.093 5.153 1.00 . A A . 11 LYS HA 1 1 4 1833 1 1 11 LYS HB2 H 0.278 -1.699 6.966 1.00 . A A . 11 LYS HB2 1 1 4 1834 1 1 11 LYS HB3 H -1.444 -1.631 6.644 1.00 . A A . 11 LYS HB3 1 1 4 1835 1 1 11 LYS HD2 H 0.189 -4.004 7.993 1.00 . A A . 11 LYS HD2 1 1 4 1836 1 1 11 LYS HD3 H -1.544 -3.705 7.885 1.00 . A A . 11 LYS HD3 1 1 4 1837 1 1 11 LYS HE2 H -1.864 -5.785 6.688 1.00 . A A . 11 LYS HE2 1 1 4 1838 1 1 11 LYS HE3 H -0.122 -6.055 6.644 1.00 . A A . 11 LYS HE3 1 1 4 1839 1 1 11 LYS HG2 H -1.313 -3.713 5.399 1.00 . A A . 11 LYS HG2 1 1 4 1840 1 1 11 LYS HG3 H 0.437 -3.758 5.625 1.00 . A A . 11 LYS HG3 1 1 4 1841 1 1 11 LYS HZ1 H -0.058 -6.412 8.950 1.00 . A A . 11 LYS HZ1 1 1 4 1842 1 1 11 LYS HZ2 H -1.408 -7.283 8.423 1.00 . A A . 11 LYS HZ2 1 1 4 1843 1 1 11 LYS HZ3 H -1.617 -5.806 9.187 1.00 . A A . 11 LYS HZ3 1 1 4 1844 1 1 11 LYS N N -0.995 -1.593 3.873 1.00 . A A . 11 LYS N 1 1 4 1845 1 1 11 LYS NZ N -1.010 -6.329 8.522 1.00 . A A . 11 LYS NZ 1 1 4 1846 1 1 11 LYS O O 1.590 -1.828 3.625 1.00 . A A . 11 LYS O 1 1 4 1847 1 1 12 ASP C C 4.134 -1.690 5.329 1.00 . A A . 12 ASP C 1 1 4 1848 1 1 12 ASP CA C 3.459 -0.382 5.047 1.00 . A A . 12 ASP CA 1 1 4 1849 1 1 12 ASP CB C 4.102 0.730 5.872 1.00 . A A . 12 ASP CB 1 1 4 1850 1 1 12 ASP CG C 3.489 2.067 5.586 1.00 . A A . 12 ASP CG 1 1 4 1851 1 1 12 ASP H H 1.661 -0.010 6.119 1.00 . A A . 12 ASP H 1 1 4 1852 1 1 12 ASP HA H 3.572 -0.151 3.999 1.00 . A A . 12 ASP HA 1 1 4 1853 1 1 12 ASP HB2 H 3.972 0.512 6.921 1.00 . A A . 12 ASP HB2 1 1 4 1854 1 1 12 ASP HB3 H 5.157 0.777 5.645 1.00 . A A . 12 ASP HB3 1 1 4 1855 1 1 12 ASP N N 2.026 -0.480 5.338 1.00 . A A . 12 ASP N 1 1 4 1856 1 1 12 ASP O O 5.211 -1.971 4.824 1.00 . A A . 12 ASP O 1 1 4 1857 1 1 12 ASP OD1 O 3.941 2.750 4.684 1.00 . A A . 12 ASP OD1 1 1 4 1858 1 1 12 ASP OD2 O 2.492 2.443 6.253 1.00 . A A . 12 ASP OD2 1 1 4 1859 1 1 13 GLU C C 4.027 -4.731 5.330 1.00 . A A . 13 GLU C 1 1 4 1860 1 1 13 GLU CA C 3.896 -3.813 6.516 1.00 . A A . 13 GLU CA 1 1 4 1861 1 1 13 GLU CB C 2.871 -4.388 7.456 1.00 . A A . 13 GLU CB 1 1 4 1862 1 1 13 GLU CD C 2.342 -5.903 9.360 1.00 . A A . 13 GLU CD 1 1 4 1863 1 1 13 GLU CG C 3.334 -5.570 8.283 1.00 . A A . 13 GLU CG 1 1 4 1864 1 1 13 GLU H H 2.528 -2.223 6.329 1.00 . A A . 13 GLU H 1 1 4 1865 1 1 13 GLU HA H 4.833 -3.708 7.040 1.00 . A A . 13 GLU HA 1 1 4 1866 1 1 13 GLU HB2 H 2.478 -3.621 8.105 1.00 . A A . 13 GLU HB2 1 1 4 1867 1 1 13 GLU HB3 H 2.087 -4.734 6.793 1.00 . A A . 13 GLU HB3 1 1 4 1868 1 1 13 GLU HG2 H 3.452 -6.427 7.637 1.00 . A A . 13 GLU HG2 1 1 4 1869 1 1 13 GLU HG3 H 4.281 -5.328 8.744 1.00 . A A . 13 GLU HG3 1 1 4 1870 1 1 13 GLU N N 3.429 -2.518 6.076 1.00 . A A . 13 GLU N 1 1 4 1871 1 1 13 GLU O O 4.858 -5.641 5.318 1.00 . A A . 13 GLU O 1 1 4 1872 1 1 13 GLU OE1 O 2.363 -5.235 10.418 1.00 . A A . 13 GLU OE1 1 1 4 1873 1 1 13 GLU OE2 O 1.516 -6.809 9.175 1.00 . A A . 13 GLU OE2 1 1 4 1874 1 1 14 ASP C C 4.445 -5.106 2.353 1.00 . A A . 14 ASP C 1 1 4 1875 1 1 14 ASP CA C 3.167 -5.277 3.141 1.00 . A A . 14 ASP CA 1 1 4 1876 1 1 14 ASP CB C 1.987 -4.887 2.238 1.00 . A A . 14 ASP CB 1 1 4 1877 1 1 14 ASP CG C 0.619 -4.959 2.878 1.00 . A A . 14 ASP CG 1 1 4 1878 1 1 14 ASP H H 2.626 -3.680 4.382 1.00 . A A . 14 ASP H 1 1 4 1879 1 1 14 ASP HA H 3.054 -6.310 3.433 1.00 . A A . 14 ASP HA 1 1 4 1880 1 1 14 ASP HB2 H 2.125 -3.888 1.854 1.00 . A A . 14 ASP HB2 1 1 4 1881 1 1 14 ASP HB3 H 1.996 -5.584 1.421 1.00 . A A . 14 ASP HB3 1 1 4 1882 1 1 14 ASP N N 3.210 -4.465 4.325 1.00 . A A . 14 ASP N 1 1 4 1883 1 1 14 ASP O O 4.947 -6.048 1.732 1.00 . A A . 14 ASP O 1 1 4 1884 1 1 14 ASP OD1 O -0.182 -4.003 2.713 1.00 . A A . 14 ASP OD1 1 1 4 1885 1 1 14 ASP OD2 O 0.287 -5.982 3.517 1.00 . A A . 14 ASP OD2 1 1 4 1886 1 1 15 CYS C C 7.433 -3.698 2.505 1.00 . A A . 15 CYS C 1 1 4 1887 1 1 15 CYS CA C 6.181 -3.634 1.663 1.00 . A A . 15 CYS CA 1 1 4 1888 1 1 15 CYS CB C 6.044 -2.302 0.969 1.00 . A A . 15 CYS CB 1 1 4 1889 1 1 15 CYS H H 4.615 -3.216 2.976 1.00 . A A . 15 CYS H 1 1 4 1890 1 1 15 CYS HA H 6.260 -4.396 0.901 1.00 . A A . 15 CYS HA 1 1 4 1891 1 1 15 CYS HB2 H 5.953 -1.502 1.688 1.00 . A A . 15 CYS HB2 1 1 4 1892 1 1 15 CYS HB3 H 6.923 -2.133 0.366 1.00 . A A . 15 CYS HB3 1 1 4 1893 1 1 15 CYS N N 5.000 -3.924 2.413 1.00 . A A . 15 CYS N 1 1 4 1894 1 1 15 CYS O O 7.377 -3.755 3.735 1.00 . A A . 15 CYS O 1 1 4 1895 1 1 15 CYS SG S 4.613 -2.258 -0.139 1.00 . A A . 15 CYS SG 1 1 4 1896 1 1 16 CYS C C 10.179 -2.571 3.296 1.00 . A A . 16 CYS C 1 1 4 1897 1 1 16 CYS CA C 9.854 -3.824 2.446 1.00 . A A . 16 CYS CA 1 1 4 1898 1 1 16 CYS CB C 10.875 -4.025 1.348 1.00 . A A . 16 CYS CB 1 1 4 1899 1 1 16 CYS H H 8.523 -3.730 0.850 1.00 . A A . 16 CYS H 1 1 4 1900 1 1 16 CYS HA H 9.861 -4.696 3.084 1.00 . A A . 16 CYS HA 1 1 4 1901 1 1 16 CYS HB2 H 11.072 -3.082 0.871 1.00 . A A . 16 CYS HB2 1 1 4 1902 1 1 16 CYS HB3 H 11.811 -4.371 1.748 1.00 . A A . 16 CYS HB3 1 1 4 1903 1 1 16 CYS N N 8.554 -3.732 1.831 1.00 . A A . 16 CYS N 1 1 4 1904 1 1 16 CYS O O 9.475 -1.553 3.246 1.00 . A A . 16 CYS O 1 1 4 1905 1 1 16 CYS SG S 10.362 -5.271 0.128 1.00 . A A . 16 CYS SG 1 1 4 1906 1 1 17 LYS C C 12.253 -0.424 4.366 1.00 . A A . 17 LYS C 1 1 4 1907 1 1 17 LYS CA C 11.655 -1.625 5.009 1.00 . A A . 17 LYS CA 1 1 4 1908 1 1 17 LYS CB C 12.633 -2.229 5.983 1.00 . A A . 17 LYS CB 1 1 4 1909 1 1 17 LYS CD C 12.911 -3.969 7.738 1.00 . A A . 17 LYS CD 1 1 4 1910 1 1 17 LYS CE C 12.231 -5.141 8.431 1.00 . A A . 17 LYS CE 1 1 4 1911 1 1 17 LYS CG C 12.070 -3.454 6.594 1.00 . A A . 17 LYS CG 1 1 4 1912 1 1 17 LYS H H 11.872 -3.398 3.850 1.00 . A A . 17 LYS H 1 1 4 1913 1 1 17 LYS HA H 10.770 -1.334 5.553 1.00 . A A . 17 LYS HA 1 1 4 1914 1 1 17 LYS HB2 H 13.548 -2.476 5.465 1.00 . A A . 17 LYS HB2 1 1 4 1915 1 1 17 LYS HB3 H 12.842 -1.519 6.766 1.00 . A A . 17 LYS HB3 1 1 4 1916 1 1 17 LYS HD2 H 13.869 -4.290 7.357 1.00 . A A . 17 LYS HD2 1 1 4 1917 1 1 17 LYS HD3 H 13.056 -3.173 8.454 1.00 . A A . 17 LYS HD3 1 1 4 1918 1 1 17 LYS HE2 H 12.900 -5.507 9.194 1.00 . A A . 17 LYS HE2 1 1 4 1919 1 1 17 LYS HE3 H 11.323 -4.794 8.900 1.00 . A A . 17 LYS HE3 1 1 4 1920 1 1 17 LYS HG2 H 11.067 -3.183 6.865 1.00 . A A . 17 LYS HG2 1 1 4 1921 1 1 17 LYS HG3 H 12.012 -4.200 5.814 1.00 . A A . 17 LYS HG3 1 1 4 1922 1 1 17 LYS HZ1 H 11.273 -5.954 6.740 1.00 . A A . 17 LYS HZ1 1 1 4 1923 1 1 17 LYS HZ2 H 11.432 -7.022 7.999 1.00 . A A . 17 LYS HZ2 1 1 4 1924 1 1 17 LYS HZ3 H 12.770 -6.647 7.070 1.00 . A A . 17 LYS HZ3 1 1 4 1925 1 1 17 LYS N N 11.271 -2.639 4.014 1.00 . A A . 17 LYS N 1 1 4 1926 1 1 17 LYS NZ N 11.916 -6.248 7.503 1.00 . A A . 17 LYS NZ 1 1 4 1927 1 1 17 LYS O O 12.181 0.696 4.880 1.00 . A A . 17 LYS O 1 1 4 1928 1 1 18 HIS C C 12.331 1.182 1.681 1.00 . A A . 18 HIS C 1 1 4 1929 1 1 18 HIS CA C 13.418 0.416 2.434 1.00 . A A . 18 HIS CA 1 1 4 1930 1 1 18 HIS CB C 14.457 -0.128 1.427 1.00 . A A . 18 HIS CB 1 1 4 1931 1 1 18 HIS CD2 C 16.451 -0.414 3.057 1.00 . A A . 18 HIS CD2 1 1 4 1932 1 1 18 HIS CE1 C 17.201 -2.322 2.365 1.00 . A A . 18 HIS CE1 1 1 4 1933 1 1 18 HIS CG C 15.639 -0.813 2.050 1.00 . A A . 18 HIS CG 1 1 4 1934 1 1 18 HIS H H 12.854 -1.612 3.017 1.00 . A A . 18 HIS H 1 1 4 1935 1 1 18 HIS HA H 13.909 1.095 3.114 1.00 . A A . 18 HIS HA 1 1 4 1936 1 1 18 HIS HB2 H 13.989 -0.822 0.744 1.00 . A A . 18 HIS HB2 1 1 4 1937 1 1 18 HIS HB3 H 14.831 0.704 0.850 1.00 . A A . 18 HIS HB3 1 1 4 1938 1 1 18 HIS HD1 H 15.772 -2.573 0.895 1.00 . A A . 18 HIS HD1 1 1 4 1939 1 1 18 HIS HD2 H 16.355 0.500 3.623 1.00 . A A . 18 HIS HD2 1 1 4 1940 1 1 18 HIS HE1 H 17.792 -3.219 2.252 1.00 . A A . 18 HIS HE1 1 1 4 1941 1 1 18 HIS N N 12.827 -0.657 3.246 1.00 . A A . 18 HIS N 1 1 4 1942 1 1 18 HIS ND1 N 16.134 -2.023 1.625 1.00 . A A . 18 HIS ND1 1 1 4 1943 1 1 18 HIS NE2 N 17.440 -1.375 3.253 1.00 . A A . 18 HIS NE2 1 1 4 1944 1 1 18 HIS O O 12.618 2.074 0.894 1.00 . A A . 18 HIS O 1 1 4 1945 1 1 19 LEU C C 8.893 1.845 2.215 1.00 . A A . 19 LEU C 1 1 4 1946 1 1 19 LEU CA C 9.980 1.441 1.249 1.00 . A A . 19 LEU CA 1 1 4 1947 1 1 19 LEU CB C 9.391 0.499 0.182 1.00 . A A . 19 LEU CB 1 1 4 1948 1 1 19 LEU CD1 C 11.142 -1.053 -0.770 1.00 . A A . 19 LEU CD1 1 1 4 1949 1 1 19 LEU CD2 C 9.444 -0.001 -2.244 1.00 . A A . 19 LEU CD2 1 1 4 1950 1 1 19 LEU CG C 10.277 0.167 -1.017 1.00 . A A . 19 LEU CG 1 1 4 1951 1 1 19 LEU H H 10.886 0.169 2.622 1.00 . A A . 19 LEU H 1 1 4 1952 1 1 19 LEU HA H 10.328 2.338 0.756 1.00 . A A . 19 LEU HA 1 1 4 1953 1 1 19 LEU HB2 H 9.145 -0.428 0.677 1.00 . A A . 19 LEU HB2 1 1 4 1954 1 1 19 LEU HB3 H 8.460 0.910 -0.179 1.00 . A A . 19 LEU HB3 1 1 4 1955 1 1 19 LEU HD11 H 11.738 -0.907 0.119 1.00 . A A . 19 LEU HD11 1 1 4 1956 1 1 19 LEU HD12 H 11.790 -1.204 -1.621 1.00 . A A . 19 LEU HD12 1 1 4 1957 1 1 19 LEU HD13 H 10.499 -1.912 -0.650 1.00 . A A . 19 LEU HD13 1 1 4 1958 1 1 19 LEU HD21 H 10.081 -0.249 -3.079 1.00 . A A . 19 LEU HD21 1 1 4 1959 1 1 19 LEU HD22 H 8.925 0.924 -2.452 1.00 . A A . 19 LEU HD22 1 1 4 1960 1 1 19 LEU HD23 H 8.726 -0.794 -2.092 1.00 . A A . 19 LEU HD23 1 1 4 1961 1 1 19 LEU HG H 10.947 0.998 -1.183 1.00 . A A . 19 LEU HG 1 1 4 1962 1 1 19 LEU N N 11.085 0.836 1.932 1.00 . A A . 19 LEU N 1 1 4 1963 1 1 19 LEU O O 8.996 1.620 3.435 1.00 . A A . 19 LEU O 1 1 4 1964 1 1 20 GLY C C 5.528 2.847 1.508 1.00 . A A . 20 GLY C 1 1 4 1965 1 1 20 GLY CA C 6.736 2.851 2.406 1.00 . A A . 20 GLY CA 1 1 4 1966 1 1 20 GLY H H 7.907 2.665 0.708 1.00 . A A . 20 GLY H 1 1 4 1967 1 1 20 GLY HA2 H 6.587 2.176 3.236 1.00 . A A . 20 GLY HA2 1 1 4 1968 1 1 20 GLY HA3 H 6.897 3.855 2.770 1.00 . A A . 20 GLY HA3 1 1 4 1969 1 1 20 GLY N N 7.884 2.455 1.669 1.00 . A A . 20 GLY N 1 1 4 1970 1 1 20 GLY O O 5.657 3.061 0.299 1.00 . A A . 20 GLY O 1 1 4 1971 1 1 21 CYS C C 2.479 3.864 1.143 1.00 . A A . 21 CYS C 1 1 4 1972 1 1 21 CYS CA C 3.152 2.499 1.343 1.00 . A A . 21 CYS CA 1 1 4 1973 1 1 21 CYS CB C 2.226 1.505 2.095 1.00 . A A . 21 CYS CB 1 1 4 1974 1 1 21 CYS H H 4.336 2.596 3.064 1.00 . A A . 21 CYS H 1 1 4 1975 1 1 21 CYS HA H 3.384 2.080 0.375 1.00 . A A . 21 CYS HA 1 1 4 1976 1 1 21 CYS HB2 H 2.673 0.517 2.078 1.00 . A A . 21 CYS HB2 1 1 4 1977 1 1 21 CYS HB3 H 2.138 1.811 3.129 1.00 . A A . 21 CYS HB3 1 1 4 1978 1 1 21 CYS N N 4.388 2.633 2.077 1.00 . A A . 21 CYS N 1 1 4 1979 1 1 21 CYS O O 2.146 4.556 2.111 1.00 . A A . 21 CYS O 1 1 4 1980 1 1 21 CYS SG S 0.529 1.344 1.430 1.00 . A A . 21 CYS SG 1 1 4 1981 1 1 22 LYS C C 0.196 5.247 -0.535 1.00 . A A . 22 LYS C 1 1 4 1982 1 1 22 LYS CA C 1.635 5.505 -0.426 1.00 . A A . 22 LYS CA 1 1 4 1983 1 1 22 LYS CB C 2.105 6.116 -1.727 1.00 . A A . 22 LYS CB 1 1 4 1984 1 1 22 LYS CD C 3.787 7.689 -0.757 1.00 . A A . 22 LYS CD 1 1 4 1985 1 1 22 LYS CE C 5.262 8.046 -0.714 1.00 . A A . 22 LYS CE 1 1 4 1986 1 1 22 LYS CG C 3.530 6.534 -1.713 1.00 . A A . 22 LYS CG 1 1 4 1987 1 1 22 LYS H H 2.613 3.702 -0.854 1.00 . A A . 22 LYS H 1 1 4 1988 1 1 22 LYS HA H 1.809 6.204 0.379 1.00 . A A . 22 LYS HA 1 1 4 1989 1 1 22 LYS HB2 H 1.961 5.370 -2.492 1.00 . A A . 22 LYS HB2 1 1 4 1990 1 1 22 LYS HB3 H 1.486 6.972 -1.953 1.00 . A A . 22 LYS HB3 1 1 4 1991 1 1 22 LYS HD2 H 3.228 8.552 -1.085 1.00 . A A . 22 LYS HD2 1 1 4 1992 1 1 22 LYS HD3 H 3.468 7.410 0.236 1.00 . A A . 22 LYS HD3 1 1 4 1993 1 1 22 LYS HE2 H 5.819 7.179 -0.390 1.00 . A A . 22 LYS HE2 1 1 4 1994 1 1 22 LYS HE3 H 5.583 8.326 -1.706 1.00 . A A . 22 LYS HE3 1 1 4 1995 1 1 22 LYS HG2 H 4.016 5.658 -1.327 1.00 . A A . 22 LYS HG2 1 1 4 1996 1 1 22 LYS HG3 H 3.852 6.772 -2.715 1.00 . A A . 22 LYS HG3 1 1 4 1997 1 1 22 LYS HZ1 H 5.074 8.981 1.135 1.00 . A A . 22 LYS HZ1 1 1 4 1998 1 1 22 LYS HZ2 H 5.165 10.062 -0.136 1.00 . A A . 22 LYS HZ2 1 1 4 1999 1 1 22 LYS HZ3 H 6.558 9.252 0.398 1.00 . A A . 22 LYS HZ3 1 1 4 2000 1 1 22 LYS N N 2.309 4.267 -0.107 1.00 . A A . 22 LYS N 1 1 4 2001 1 1 22 LYS NZ N 5.532 9.156 0.218 1.00 . A A . 22 LYS NZ 1 1 4 2002 1 1 22 LYS O O -0.269 4.568 -1.477 1.00 . A A . 22 LYS O 1 1 4 2003 1 1 23 ARG C C -2.650 6.352 -0.635 1.00 . A A . 23 ARG C 1 1 4 2004 1 1 23 ARG CA C -1.929 5.661 0.482 1.00 . A A . 23 ARG CA 1 1 4 2005 1 1 23 ARG CB C -2.405 6.209 1.832 1.00 . A A . 23 ARG CB 1 1 4 2006 1 1 23 ARG CD C -1.532 4.221 3.064 1.00 . A A . 23 ARG CD 1 1 4 2007 1 1 23 ARG CG C -1.576 5.727 3.013 1.00 . A A . 23 ARG CG 1 1 4 2008 1 1 23 ARG CZ C -1.089 2.951 5.163 1.00 . A A . 23 ARG CZ 1 1 4 2009 1 1 23 ARG H H -0.066 6.479 0.951 1.00 . A A . 23 ARG H 1 1 4 2010 1 1 23 ARG HA H -2.147 4.612 0.435 1.00 . A A . 23 ARG HA 1 1 4 2011 1 1 23 ARG HB2 H -2.360 7.287 1.803 1.00 . A A . 23 ARG HB2 1 1 4 2012 1 1 23 ARG HB3 H -3.430 5.905 1.989 1.00 . A A . 23 ARG HB3 1 1 4 2013 1 1 23 ARG HD2 H -2.542 3.855 3.162 1.00 . A A . 23 ARG HD2 1 1 4 2014 1 1 23 ARG HD3 H -1.116 3.898 2.119 1.00 . A A . 23 ARG HD3 1 1 4 2015 1 1 23 ARG HE H 0.265 3.994 4.096 1.00 . A A . 23 ARG HE 1 1 4 2016 1 1 23 ARG HG2 H -0.569 6.103 2.912 1.00 . A A . 23 ARG HG2 1 1 4 2017 1 1 23 ARG HG3 H -2.013 6.101 3.927 1.00 . A A . 23 ARG HG3 1 1 4 2018 1 1 23 ARG HH11 H -3.079 3.034 4.702 1.00 . A A . 23 ARG HH11 1 1 4 2019 1 1 23 ARG HH12 H -2.706 2.096 6.063 1.00 . A A . 23 ARG HH12 1 1 4 2020 1 1 23 ARG HH21 H 0.780 2.671 5.986 1.00 . A A . 23 ARG HH21 1 1 4 2021 1 1 23 ARG HH22 H -0.501 1.910 6.809 1.00 . A A . 23 ARG HH22 1 1 4 2022 1 1 23 ARG N N -0.517 5.847 0.352 1.00 . A A . 23 ARG N 1 1 4 2023 1 1 23 ARG NE N -0.681 3.732 4.158 1.00 . A A . 23 ARG NE 1 1 4 2024 1 1 23 ARG NH1 N -2.371 2.676 5.316 1.00 . A A . 23 ARG NH1 1 1 4 2025 1 1 23 ARG NH2 N -0.212 2.479 6.036 1.00 . A A . 23 ARG NH2 1 1 4 2026 1 1 23 ARG O O -3.813 6.078 -0.895 1.00 . A A . 23 ARG O 1 1 4 2027 1 1 24 LYS C C -2.492 7.262 -3.669 1.00 . A A . 24 LYS C 1 1 4 2028 1 1 24 LYS CA C -2.610 7.984 -2.357 1.00 . A A . 24 LYS CA 1 1 4 2029 1 1 24 LYS CB C -2.104 9.440 -2.445 1.00 . A A . 24 LYS CB 1 1 4 2030 1 1 24 LYS CD C -0.266 11.079 -2.870 1.00 . A A . 24 LYS CD 1 1 4 2031 1 1 24 LYS CE C 1.195 11.267 -3.231 1.00 . A A . 24 LYS CE 1 1 4 2032 1 1 24 LYS CG C -0.642 9.610 -2.813 1.00 . A A . 24 LYS CG 1 1 4 2033 1 1 24 LYS H H -0.982 7.274 -1.151 1.00 . A A . 24 LYS H 1 1 4 2034 1 1 24 LYS HA H -3.659 7.994 -2.099 1.00 . A A . 24 LYS HA 1 1 4 2035 1 1 24 LYS HB2 H -2.689 9.962 -3.187 1.00 . A A . 24 LYS HB2 1 1 4 2036 1 1 24 LYS HB3 H -2.268 9.912 -1.488 1.00 . A A . 24 LYS HB3 1 1 4 2037 1 1 24 LYS HD2 H -0.877 11.571 -3.612 1.00 . A A . 24 LYS HD2 1 1 4 2038 1 1 24 LYS HD3 H -0.451 11.518 -1.900 1.00 . A A . 24 LYS HD3 1 1 4 2039 1 1 24 LYS HE2 H 1.800 10.809 -2.463 1.00 . A A . 24 LYS HE2 1 1 4 2040 1 1 24 LYS HE3 H 1.380 10.777 -4.174 1.00 . A A . 24 LYS HE3 1 1 4 2041 1 1 24 LYS HG2 H -0.017 9.101 -2.095 1.00 . A A . 24 LYS HG2 1 1 4 2042 1 1 24 LYS HG3 H -0.500 9.182 -3.793 1.00 . A A . 24 LYS HG3 1 1 4 2043 1 1 24 LYS HZ1 H 2.572 12.788 -3.596 1.00 . A A . 24 LYS HZ1 1 1 4 2044 1 1 24 LYS HZ2 H 1.421 13.197 -2.444 1.00 . A A . 24 LYS HZ2 1 1 4 2045 1 1 24 LYS HZ3 H 1.008 13.165 -4.080 1.00 . A A . 24 LYS HZ3 1 1 4 2046 1 1 24 LYS N N -1.957 7.227 -1.318 1.00 . A A . 24 LYS N 1 1 4 2047 1 1 24 LYS NZ N 1.567 12.694 -3.342 1.00 . A A . 24 LYS NZ 1 1 4 2048 1 1 24 LYS O O -3.358 7.367 -4.541 1.00 . A A . 24 LYS O 1 1 4 2049 1 1 25 MET C C -1.471 4.341 -4.950 1.00 . A A . 25 MET C 1 1 4 2050 1 1 25 MET CA C -1.137 5.815 -5.011 1.00 . A A . 25 MET CA 1 1 4 2051 1 1 25 MET CB C 0.342 6.000 -5.343 1.00 . A A . 25 MET CB 1 1 4 2052 1 1 25 MET CE C 0.243 7.693 -8.121 1.00 . A A . 25 MET CE 1 1 4 2053 1 1 25 MET CG C 0.829 7.443 -5.404 1.00 . A A . 25 MET CG 1 1 4 2054 1 1 25 MET H H -0.912 6.273 -2.975 1.00 . A A . 25 MET H 1 1 4 2055 1 1 25 MET HA H -1.722 6.280 -5.790 1.00 . A A . 25 MET HA 1 1 4 2056 1 1 25 MET HB2 H 0.971 5.440 -4.668 1.00 . A A . 25 MET HB2 1 1 4 2057 1 1 25 MET HB3 H 0.478 5.572 -6.317 1.00 . A A . 25 MET HB3 1 1 4 2058 1 1 25 MET HE1 H -0.255 8.231 -8.913 1.00 . A A . 25 MET HE1 1 1 4 2059 1 1 25 MET HE2 H -0.112 6.673 -8.107 1.00 . A A . 25 MET HE2 1 1 4 2060 1 1 25 MET HE3 H 1.309 7.702 -8.292 1.00 . A A . 25 MET HE3 1 1 4 2061 1 1 25 MET HG2 H 0.789 7.867 -4.413 1.00 . A A . 25 MET HG2 1 1 4 2062 1 1 25 MET HG3 H 1.858 7.429 -5.731 1.00 . A A . 25 MET HG3 1 1 4 2063 1 1 25 MET N N -1.455 6.460 -3.770 1.00 . A A . 25 MET N 1 1 4 2064 1 1 25 MET O O -1.567 3.674 -5.975 1.00 . A A . 25 MET O 1 1 4 2065 1 1 25 MET SD S -0.121 8.478 -6.545 1.00 . A A . 25 MET SD 1 1 4 2066 1 1 26 LYS C C -0.817 1.547 -3.766 1.00 . A A . 26 LYS C 1 1 4 2067 1 1 26 LYS CA C -1.960 2.440 -3.431 1.00 . A A . 26 LYS CA 1 1 4 2068 1 1 26 LYS CB C -3.256 1.987 -4.096 1.00 . A A . 26 LYS CB 1 1 4 2069 1 1 26 LYS CD C -4.610 2.764 -2.142 1.00 . A A . 26 LYS CD 1 1 4 2070 1 1 26 LYS CE C -4.909 1.351 -1.632 1.00 . A A . 26 LYS CE 1 1 4 2071 1 1 26 LYS CG C -4.457 2.799 -3.655 1.00 . A A . 26 LYS CG 1 1 4 2072 1 1 26 LYS H H -1.526 4.439 -2.951 1.00 . A A . 26 LYS H 1 1 4 2073 1 1 26 LYS HA H -2.067 2.360 -2.361 1.00 . A A . 26 LYS HA 1 1 4 2074 1 1 26 LYS HB2 H -3.136 2.055 -5.165 1.00 . A A . 26 LYS HB2 1 1 4 2075 1 1 26 LYS HB3 H -3.430 0.951 -3.842 1.00 . A A . 26 LYS HB3 1 1 4 2076 1 1 26 LYS HD2 H -3.661 3.096 -1.741 1.00 . A A . 26 LYS HD2 1 1 4 2077 1 1 26 LYS HD3 H -5.394 3.444 -1.846 1.00 . A A . 26 LYS HD3 1 1 4 2078 1 1 26 LYS HE2 H -5.829 1.005 -2.080 1.00 . A A . 26 LYS HE2 1 1 4 2079 1 1 26 LYS HE3 H -4.102 0.694 -1.925 1.00 . A A . 26 LYS HE3 1 1 4 2080 1 1 26 LYS HG2 H -4.327 3.822 -3.974 1.00 . A A . 26 LYS HG2 1 1 4 2081 1 1 26 LYS HG3 H -5.345 2.386 -4.108 1.00 . A A . 26 LYS HG3 1 1 4 2082 1 1 26 LYS HZ1 H -5.880 1.850 0.149 1.00 . A A . 26 LYS HZ1 1 1 4 2083 1 1 26 LYS HZ2 H -4.224 1.709 0.312 1.00 . A A . 26 LYS HZ2 1 1 4 2084 1 1 26 LYS HZ3 H -5.179 0.318 0.160 1.00 . A A . 26 LYS HZ3 1 1 4 2085 1 1 26 LYS N N -1.638 3.845 -3.723 1.00 . A A . 26 LYS N 1 1 4 2086 1 1 26 LYS NZ N -5.053 1.303 -0.164 1.00 . A A . 26 LYS NZ 1 1 4 2087 1 1 26 LYS O O -0.985 0.373 -4.096 1.00 . A A . 26 LYS O 1 1 4 2088 1 1 27 TYR C C 2.670 1.863 -3.017 1.00 . A A . 27 TYR C 1 1 4 2089 1 1 27 TYR CA C 1.557 1.342 -3.848 1.00 . A A . 27 TYR CA 1 1 4 2090 1 1 27 TYR CB C 1.982 1.285 -5.347 1.00 . A A . 27 TYR CB 1 1 4 2091 1 1 27 TYR CD1 C 3.617 3.208 -5.680 1.00 . A A . 27 TYR CD1 1 1 4 2092 1 1 27 TYR CD2 C 1.641 3.169 -6.994 1.00 . A A . 27 TYR CD2 1 1 4 2093 1 1 27 TYR CE1 C 4.023 4.354 -6.296 1.00 . A A . 27 TYR CE1 1 1 4 2094 1 1 27 TYR CE2 C 2.047 4.330 -7.617 1.00 . A A . 27 TYR CE2 1 1 4 2095 1 1 27 TYR CG C 2.411 2.589 -6.011 1.00 . A A . 27 TYR CG 1 1 4 2096 1 1 27 TYR CZ C 3.234 4.917 -7.263 1.00 . A A . 27 TYR CZ 1 1 4 2097 1 1 27 TYR H H 0.332 2.978 -3.177 1.00 . A A . 27 TYR H 1 1 4 2098 1 1 27 TYR HA H 1.364 0.333 -3.511 1.00 . A A . 27 TYR HA 1 1 4 2099 1 1 27 TYR HB2 H 2.829 0.619 -5.417 1.00 . A A . 27 TYR HB2 1 1 4 2100 1 1 27 TYR HB3 H 1.181 0.853 -5.923 1.00 . A A . 27 TYR HB3 1 1 4 2101 1 1 27 TYR HD1 H 4.244 2.779 -4.910 1.00 . A A . 27 TYR HD1 1 1 4 2102 1 1 27 TYR HD2 H 0.706 2.706 -7.271 1.00 . A A . 27 TYR HD2 1 1 4 2103 1 1 27 TYR HE1 H 4.964 4.797 -6.006 1.00 . A A . 27 TYR HE1 1 1 4 2104 1 1 27 TYR HE2 H 1.426 4.783 -8.373 1.00 . A A . 27 TYR HE2 1 1 4 2105 1 1 27 TYR HH H 4.604 6.026 -7.943 1.00 . A A . 27 TYR HH 1 1 4 2106 1 1 27 TYR N N 0.340 2.081 -3.585 1.00 . A A . 27 TYR N 1 1 4 2107 1 1 27 TYR O O 2.579 2.951 -2.454 1.00 . A A . 27 TYR O 1 1 4 2108 1 1 27 TYR OH O 3.640 6.066 -7.888 1.00 . A A . 27 TYR OH 1 1 4 2109 1 1 28 CYS C C 5.916 2.214 -3.010 1.00 . A A . 28 CYS C 1 1 4 2110 1 1 28 CYS CA C 4.848 1.515 -2.192 1.00 . A A . 28 CYS CA 1 1 4 2111 1 1 28 CYS CB C 5.402 0.338 -1.422 1.00 . A A . 28 CYS CB 1 1 4 2112 1 1 28 CYS H H 3.679 0.269 -3.442 1.00 . A A . 28 CYS H 1 1 4 2113 1 1 28 CYS HA H 4.489 2.234 -1.470 1.00 . A A . 28 CYS HA 1 1 4 2114 1 1 28 CYS HB2 H 5.680 -0.453 -2.103 1.00 . A A . 28 CYS HB2 1 1 4 2115 1 1 28 CYS HB3 H 6.270 0.655 -0.865 1.00 . A A . 28 CYS HB3 1 1 4 2116 1 1 28 CYS N N 3.710 1.125 -2.962 1.00 . A A . 28 CYS N 1 1 4 2117 1 1 28 CYS O O 6.189 1.850 -4.168 1.00 . A A . 28 CYS O 1 1 4 2118 1 1 28 CYS SG S 4.199 -0.310 -0.236 1.00 . A A . 28 CYS SG 1 1 4 2119 1 1 29 ALA C C 8.715 3.867 -1.983 1.00 . A A . 29 ALA C 1 1 4 2120 1 1 29 ALA CA C 7.556 4.013 -2.951 1.00 . A A . 29 ALA CA 1 1 4 2121 1 1 29 ALA CB C 7.115 5.464 -3.082 1.00 . A A . 29 ALA CB 1 1 4 2122 1 1 29 ALA H H 6.197 3.424 -1.482 1.00 . A A . 29 ALA H 1 1 4 2123 1 1 29 ALA HA H 7.824 3.612 -3.917 1.00 . A A . 29 ALA HA 1 1 4 2124 1 1 29 ALA HB1 H 6.275 5.506 -3.759 1.00 . A A . 29 ALA HB1 1 1 4 2125 1 1 29 ALA HB2 H 7.928 6.057 -3.475 1.00 . A A . 29 ALA HB2 1 1 4 2126 1 1 29 ALA HB3 H 6.818 5.842 -2.115 1.00 . A A . 29 ALA HB3 1 1 4 2127 1 1 29 ALA N N 6.486 3.224 -2.403 1.00 . A A . 29 ALA N 1 1 4 2128 1 1 29 ALA O O 8.581 3.111 -1.035 1.00 . A A . 29 ALA O 1 1 4 2129 1 1 30 TRP C C 10.798 5.032 0.120 1.00 . A A . 30 TRP C 1 1 4 2130 1 1 30 TRP CA C 10.979 4.416 -1.261 1.00 . A A . 30 TRP CA 1 1 4 2131 1 1 30 TRP CB C 12.254 4.946 -1.891 1.00 . A A . 30 TRP CB 1 1 4 2132 1 1 30 TRP CD1 C 12.589 4.687 -4.375 1.00 . A A . 30 TRP CD1 1 1 4 2133 1 1 30 TRP CD2 C 13.124 2.912 -3.182 1.00 . A A . 30 TRP CD2 1 1 4 2134 1 1 30 TRP CE2 C 13.382 2.614 -4.518 1.00 . A A . 30 TRP CE2 1 1 4 2135 1 1 30 TRP CE3 C 13.364 1.974 -2.222 1.00 . A A . 30 TRP CE3 1 1 4 2136 1 1 30 TRP CG C 12.643 4.230 -3.118 1.00 . A A . 30 TRP CG 1 1 4 2137 1 1 30 TRP CH2 C 14.115 0.453 -3.928 1.00 . A A . 30 TRP CH2 1 1 4 2138 1 1 30 TRP CZ2 C 13.883 1.377 -4.917 1.00 . A A . 30 TRP CZ2 1 1 4 2139 1 1 30 TRP CZ3 C 13.856 0.746 -2.590 1.00 . A A . 30 TRP CZ3 1 1 4 2140 1 1 30 TRP H H 9.843 5.307 -2.825 1.00 . A A . 30 TRP H 1 1 4 2141 1 1 30 TRP HA H 11.082 3.347 -1.155 1.00 . A A . 30 TRP HA 1 1 4 2142 1 1 30 TRP HB2 H 12.151 5.988 -2.128 1.00 . A A . 30 TRP HB2 1 1 4 2143 1 1 30 TRP HB3 H 13.058 4.835 -1.179 1.00 . A A . 30 TRP HB3 1 1 4 2144 1 1 30 TRP HD1 H 12.234 5.679 -4.604 1.00 . A A . 30 TRP HD1 1 1 4 2145 1 1 30 TRP HE1 H 13.121 3.823 -6.216 1.00 . A A . 30 TRP HE1 1 1 4 2146 1 1 30 TRP HE3 H 13.143 2.251 -1.203 1.00 . A A . 30 TRP HE3 1 1 4 2147 1 1 30 TRP HH2 H 14.501 -0.528 -4.157 1.00 . A A . 30 TRP HH2 1 1 4 2148 1 1 30 TRP HZ2 H 14.087 1.144 -5.951 1.00 . A A . 30 TRP HZ2 1 1 4 2149 1 1 30 TRP HZ3 H 14.049 -0.004 -1.838 1.00 . A A . 30 TRP HZ3 1 1 4 2150 1 1 30 TRP N N 9.803 4.604 -2.141 1.00 . A A . 30 TRP N 1 1 4 2151 1 1 30 TRP NE1 N 13.050 3.726 -5.241 1.00 . A A . 30 TRP NE1 1 1 4 2152 1 1 30 TRP O O 11.746 5.097 0.922 1.00 . A A . 30 TRP O 1 1 4 2153 1 1 31 ASP C C 7.748 6.076 1.645 1.00 . A A . 31 ASP C 1 1 4 2154 1 1 31 ASP CA C 9.238 6.058 1.619 1.00 . A A . 31 ASP CA 1 1 4 2155 1 1 31 ASP CB C 9.751 7.490 1.700 1.00 . A A . 31 ASP CB 1 1 4 2156 1 1 31 ASP CG C 9.054 8.441 0.733 1.00 . A A . 31 ASP CG 1 1 4 2157 1 1 31 ASP H H 8.854 5.378 -0.228 1.00 . A A . 31 ASP H 1 1 4 2158 1 1 31 ASP HA H 9.630 5.479 2.443 1.00 . A A . 31 ASP HA 1 1 4 2159 1 1 31 ASP HB2 H 9.610 7.840 2.711 1.00 . A A . 31 ASP HB2 1 1 4 2160 1 1 31 ASP HB3 H 10.804 7.449 1.464 1.00 . A A . 31 ASP HB3 1 1 4 2161 1 1 31 ASP N N 9.601 5.460 0.400 1.00 . A A . 31 ASP N 1 1 4 2162 1 1 31 ASP O O 7.107 5.808 0.623 1.00 . A A . 31 ASP O 1 1 4 2163 1 1 31 ASP OD1 O 9.470 8.534 -0.436 1.00 . A A . 31 ASP OD1 1 1 4 2164 1 1 31 ASP OD2 O 8.081 9.117 1.126 1.00 . A A . 31 ASP OD2 1 1 4 2165 1 1 32 PHE C C 5.339 7.885 3.127 1.00 . A A . 32 PHE C 1 1 4 2166 1 1 32 PHE CA C 5.782 6.461 2.919 1.00 . A A . 32 PHE CA 1 1 4 2167 1 1 32 PHE CB C 5.204 5.530 3.993 1.00 . A A . 32 PHE CB 1 1 4 2168 1 1 32 PHE CD1 C 6.882 4.719 5.659 1.00 . A A . 32 PHE CD1 1 1 4 2169 1 1 32 PHE CD2 C 5.431 6.490 6.291 1.00 . A A . 32 PHE CD2 1 1 4 2170 1 1 32 PHE CE1 C 7.472 4.756 6.896 1.00 . A A . 32 PHE CE1 1 1 4 2171 1 1 32 PHE CE2 C 6.022 6.531 7.528 1.00 . A A . 32 PHE CE2 1 1 4 2172 1 1 32 PHE CG C 5.855 5.586 5.340 1.00 . A A . 32 PHE CG 1 1 4 2173 1 1 32 PHE CZ C 7.044 5.664 7.834 1.00 . A A . 32 PHE CZ 1 1 4 2174 1 1 32 PHE H H 7.830 6.496 3.510 1.00 . A A . 32 PHE H 1 1 4 2175 1 1 32 PHE HA H 5.376 6.160 1.964 1.00 . A A . 32 PHE HA 1 1 4 2176 1 1 32 PHE HB2 H 4.174 5.818 4.141 1.00 . A A . 32 PHE HB2 1 1 4 2177 1 1 32 PHE HB3 H 5.223 4.509 3.642 1.00 . A A . 32 PHE HB3 1 1 4 2178 1 1 32 PHE HD1 H 7.225 4.005 4.923 1.00 . A A . 32 PHE HD1 1 1 4 2179 1 1 32 PHE HD2 H 4.629 7.172 6.053 1.00 . A A . 32 PHE HD2 1 1 4 2180 1 1 32 PHE HE1 H 8.272 4.072 7.130 1.00 . A A . 32 PHE HE1 1 1 4 2181 1 1 32 PHE HE2 H 5.681 7.249 8.259 1.00 . A A . 32 PHE HE2 1 1 4 2182 1 1 32 PHE HZ H 7.508 5.693 8.808 1.00 . A A . 32 PHE HZ 1 1 4 2183 1 1 32 PHE N N 7.209 6.355 2.769 1.00 . A A . 32 PHE N 1 1 4 2184 1 1 32 PHE O O 4.289 8.275 2.635 1.00 . A A . 32 PHE O 1 1 4 2185 1 1 33 THR C C 6.881 10.997 3.667 1.00 . A A . 33 THR C 1 1 4 2186 1 1 33 THR CA C 5.740 10.044 4.006 1.00 . A A . 33 THR CA 1 1 4 2187 1 1 33 THR CB C 5.199 10.287 5.453 1.00 . A A . 33 THR CB 1 1 4 2188 1 1 33 THR CG2 C 6.287 10.115 6.505 1.00 . A A . 33 THR CG2 1 1 4 2189 1 1 33 THR H H 7.005 8.384 4.123 1.00 . A A . 33 THR H 1 1 4 2190 1 1 33 THR HA H 4.940 10.241 3.308 1.00 . A A . 33 THR HA 1 1 4 2191 1 1 33 THR HB H 4.409 9.573 5.640 1.00 . A A . 33 THR HB 1 1 4 2192 1 1 33 THR HG1 H 3.691 11.514 5.519 1.00 . A A . 33 THR HG1 1 1 4 2193 1 1 33 THR HG21 H 6.669 9.106 6.464 1.00 . A A . 33 THR HG21 1 1 4 2194 1 1 33 THR HG22 H 5.879 10.308 7.486 1.00 . A A . 33 THR HG22 1 1 4 2195 1 1 33 THR HG23 H 7.089 10.810 6.303 1.00 . A A . 33 THR HG23 1 1 4 2196 1 1 33 THR N N 6.132 8.684 3.788 1.00 . A A . 33 THR N 1 1 4 2197 1 1 33 THR O O 8.071 10.660 3.826 1.00 . A A . 33 THR O 1 1 4 2198 1 1 33 THR OG1 O 4.652 11.604 5.559 1.00 . A A . 33 THR OG1 1 1 4 2199 1 1 34 PHE C C 8.080 13.856 4.016 1.00 . A A . 34 PHE C 1 1 4 2200 1 1 34 PHE CA C 7.457 13.183 2.797 1.00 . A A . 34 PHE CA 1 1 4 2201 1 1 34 PHE CB C 6.759 14.230 1.893 1.00 . A A . 34 PHE CB 1 1 4 2202 1 1 34 PHE CD1 C 4.311 14.402 2.492 1.00 . A A . 34 PHE CD1 1 1 4 2203 1 1 34 PHE CD2 C 5.764 16.164 3.181 1.00 . A A . 34 PHE CD2 1 1 4 2204 1 1 34 PHE CE1 C 3.241 15.051 3.076 1.00 . A A . 34 PHE CE1 1 1 4 2205 1 1 34 PHE CE2 C 4.698 16.817 3.767 1.00 . A A . 34 PHE CE2 1 1 4 2206 1 1 34 PHE CG C 5.586 14.947 2.537 1.00 . A A . 34 PHE CG 1 1 4 2207 1 1 34 PHE CZ C 3.435 16.260 3.714 1.00 . A A . 34 PHE CZ 1 1 4 2208 1 1 34 PHE H H 5.558 12.356 3.129 1.00 . A A . 34 PHE H 1 1 4 2209 1 1 34 PHE HA H 8.239 12.707 2.227 1.00 . A A . 34 PHE HA 1 1 4 2210 1 1 34 PHE HB2 H 7.479 14.982 1.607 1.00 . A A . 34 PHE HB2 1 1 4 2211 1 1 34 PHE HB3 H 6.399 13.738 1.002 1.00 . A A . 34 PHE HB3 1 1 4 2212 1 1 34 PHE HD1 H 4.159 13.456 1.994 1.00 . A A . 34 PHE HD1 1 1 4 2213 1 1 34 PHE HD2 H 6.751 16.601 3.223 1.00 . A A . 34 PHE HD2 1 1 4 2214 1 1 34 PHE HE1 H 2.254 14.613 3.032 1.00 . A A . 34 PHE HE1 1 1 4 2215 1 1 34 PHE HE2 H 4.850 17.763 4.265 1.00 . A A . 34 PHE HE2 1 1 4 2216 1 1 34 PHE HZ H 2.599 16.770 4.173 1.00 . A A . 34 PHE HZ 1 1 4 2217 1 1 34 PHE N N 6.517 12.163 3.196 1.00 . A A . 34 PHE N 1 1 4 2218 1 1 34 PHE O O 7.513 13.834 5.115 1.00 . A A . 34 PHE O 1 1 4 2219 1 1 35 THR C C 9.522 16.615 4.778 1.00 . A A . 35 THR C 1 1 4 2220 1 1 35 THR CA C 9.931 15.142 4.870 1.00 . A A . 35 THR CA 1 1 4 2221 1 1 35 THR CB C 11.456 15.038 4.680 1.00 . A A . 35 THR CB 1 1 4 2222 1 1 35 THR CG2 C 12.192 15.595 5.893 1.00 . A A . 35 THR CG2 1 1 4 2223 1 1 35 THR H H 9.689 14.311 2.959 1.00 . A A . 35 THR H 1 1 4 2224 1 1 35 THR HA H 9.662 14.737 5.835 1.00 . A A . 35 THR HA 1 1 4 2225 1 1 35 THR HB H 11.740 15.600 3.802 1.00 . A A . 35 THR HB 1 1 4 2226 1 1 35 THR HG1 H 11.096 13.121 4.840 1.00 . A A . 35 THR HG1 1 1 4 2227 1 1 35 THR HG21 H 11.911 15.034 6.772 1.00 . A A . 35 THR HG21 1 1 4 2228 1 1 35 THR HG22 H 11.927 16.633 6.029 1.00 . A A . 35 THR HG22 1 1 4 2229 1 1 35 THR HG23 H 13.257 15.512 5.737 1.00 . A A . 35 THR HG23 1 1 4 2230 1 1 35 THR N N 9.250 14.402 3.831 1.00 . A A . 35 THR N 1 1 4 2231 1 1 35 THR O O 9.235 17.102 3.662 1.00 . A A . 35 THR O 1 1 4 2232 1 1 35 THR OG1 O 11.822 13.658 4.501 1.00 . A A . 35 THR OG1 1 1 5 2233 1 1 1 ASP C C 7.047 -10.282 0.584 1.00 . A A . 1 ASP C 1 1 5 2234 1 1 1 ASP CA C 7.834 -11.549 0.561 1.00 . A A . 1 ASP CA 1 1 5 2235 1 1 1 ASP CB C 7.570 -12.319 -0.730 1.00 . A A . 1 ASP CB 1 1 5 2236 1 1 1 ASP CG C 7.765 -11.491 -1.986 1.00 . A A . 1 ASP CG 1 1 5 2237 1 1 1 ASP H1 H 8.079 -13.229 1.763 1.00 . A A . 1 ASP H1 1 1 5 2238 1 1 1 ASP H2 H 6.500 -12.597 1.755 1.00 . A A . 1 ASP H2 1 1 5 2239 1 1 1 ASP H3 H 7.715 -11.811 2.602 1.00 . A A . 1 ASP H3 1 1 5 2240 1 1 1 ASP HA H 8.881 -11.289 0.613 1.00 . A A . 1 ASP HA 1 1 5 2241 1 1 1 ASP HB2 H 8.262 -13.145 -0.773 1.00 . A A . 1 ASP HB2 1 1 5 2242 1 1 1 ASP HB3 H 6.555 -12.683 -0.709 1.00 . A A . 1 ASP HB3 1 1 5 2243 1 1 1 ASP N N 7.514 -12.357 1.741 1.00 . A A . 1 ASP N 1 1 5 2244 1 1 1 ASP O O 5.825 -10.294 0.615 1.00 . A A . 1 ASP O 1 1 5 2245 1 1 1 ASP OD1 O 8.915 -11.106 -2.297 1.00 . A A . 1 ASP OD1 1 1 5 2246 1 1 1 ASP OD2 O 6.780 -11.256 -2.715 1.00 . A A . 1 ASP OD2 1 1 5 2247 1 1 2 CYS C C 7.090 -7.269 -0.696 1.00 . A A . 2 CYS C 1 1 5 2248 1 1 2 CYS CA C 7.155 -7.907 0.652 1.00 . A A . 2 CYS CA 1 1 5 2249 1 1 2 CYS CB C 7.958 -7.043 1.588 1.00 . A A . 2 CYS CB 1 1 5 2250 1 1 2 CYS H H 8.719 -9.257 0.495 1.00 . A A . 2 CYS H 1 1 5 2251 1 1 2 CYS HA H 6.153 -7.973 1.043 1.00 . A A . 2 CYS HA 1 1 5 2252 1 1 2 CYS HB2 H 7.647 -6.024 1.412 1.00 . A A . 2 CYS HB2 1 1 5 2253 1 1 2 CYS HB3 H 7.747 -7.303 2.610 1.00 . A A . 2 CYS HB3 1 1 5 2254 1 1 2 CYS N N 7.744 -9.204 0.580 1.00 . A A . 2 CYS N 1 1 5 2255 1 1 2 CYS O O 7.767 -7.703 -1.652 1.00 . A A . 2 CYS O 1 1 5 2256 1 1 2 CYS SG S 9.755 -7.109 1.293 1.00 . A A . 2 CYS SG 1 1 5 2257 1 1 3 ARG C C 7.248 -4.524 -2.111 1.00 . A A . 3 ARG C 1 1 5 2258 1 1 3 ARG CA C 6.116 -5.499 -1.969 1.00 . A A . 3 ARG CA 1 1 5 2259 1 1 3 ARG CB C 4.816 -4.708 -1.925 1.00 . A A . 3 ARG CB 1 1 5 2260 1 1 3 ARG CD C 3.299 -6.339 -3.077 1.00 . A A . 3 ARG CD 1 1 5 2261 1 1 3 ARG CG C 3.553 -5.521 -1.829 1.00 . A A . 3 ARG CG 1 1 5 2262 1 1 3 ARG CZ C 1.618 -8.068 -3.725 1.00 . A A . 3 ARG CZ 1 1 5 2263 1 1 3 ARG H H 5.786 -6.015 0.038 1.00 . A A . 3 ARG H 1 1 5 2264 1 1 3 ARG HA H 6.086 -6.169 -2.815 1.00 . A A . 3 ARG HA 1 1 5 2265 1 1 3 ARG HB2 H 4.844 -4.049 -1.069 1.00 . A A . 3 ARG HB2 1 1 5 2266 1 1 3 ARG HB3 H 4.760 -4.098 -2.814 1.00 . A A . 3 ARG HB3 1 1 5 2267 1 1 3 ARG HD2 H 3.301 -5.674 -3.928 1.00 . A A . 3 ARG HD2 1 1 5 2268 1 1 3 ARG HD3 H 4.078 -7.076 -3.190 1.00 . A A . 3 ARG HD3 1 1 5 2269 1 1 3 ARG HE H 1.397 -6.620 -2.329 1.00 . A A . 3 ARG HE 1 1 5 2270 1 1 3 ARG HG2 H 3.632 -6.189 -0.984 1.00 . A A . 3 ARG HG2 1 1 5 2271 1 1 3 ARG HG3 H 2.722 -4.850 -1.674 1.00 . A A . 3 ARG HG3 1 1 5 2272 1 1 3 ARG HH11 H 3.320 -8.194 -4.868 1.00 . A A . 3 ARG HH11 1 1 5 2273 1 1 3 ARG HH12 H 2.172 -9.400 -5.185 1.00 . A A . 3 ARG HH12 1 1 5 2274 1 1 3 ARG HH21 H -0.225 -8.213 -2.843 1.00 . A A . 3 ARG HH21 1 1 5 2275 1 1 3 ARG HH22 H 0.067 -9.376 -4.040 1.00 . A A . 3 ARG HH22 1 1 5 2276 1 1 3 ARG N N 6.289 -6.260 -0.774 1.00 . A A . 3 ARG N 1 1 5 2277 1 1 3 ARG NE N 2.002 -7.013 -3.000 1.00 . A A . 3 ARG NE 1 1 5 2278 1 1 3 ARG NH1 N 2.417 -8.581 -4.661 1.00 . A A . 3 ARG NH1 1 1 5 2279 1 1 3 ARG NH2 N 0.412 -8.587 -3.524 1.00 . A A . 3 ARG NH2 1 1 5 2280 1 1 3 ARG O O 7.607 -3.812 -1.148 1.00 . A A . 3 ARG O 1 1 5 2281 1 1 4 TYR C C 8.095 -2.351 -4.217 1.00 . A A . 4 TYR C 1 1 5 2282 1 1 4 TYR CA C 8.798 -3.562 -3.596 1.00 . A A . 4 TYR CA 1 1 5 2283 1 1 4 TYR CB C 9.787 -4.190 -4.548 1.00 . A A . 4 TYR CB 1 1 5 2284 1 1 4 TYR CD1 C 10.632 -6.560 -4.315 1.00 . A A . 4 TYR CD1 1 1 5 2285 1 1 4 TYR CD2 C 11.673 -4.876 -2.991 1.00 . A A . 4 TYR CD2 1 1 5 2286 1 1 4 TYR CE1 C 11.495 -7.504 -3.790 1.00 . A A . 4 TYR CE1 1 1 5 2287 1 1 4 TYR CE2 C 12.529 -5.818 -2.460 1.00 . A A . 4 TYR CE2 1 1 5 2288 1 1 4 TYR CG C 10.705 -5.232 -3.932 1.00 . A A . 4 TYR CG 1 1 5 2289 1 1 4 TYR CZ C 12.439 -7.126 -2.866 1.00 . A A . 4 TYR CZ 1 1 5 2290 1 1 4 TYR H H 7.576 -5.124 -3.981 1.00 . A A . 4 TYR H 1 1 5 2291 1 1 4 TYR HA H 9.304 -3.262 -2.691 1.00 . A A . 4 TYR HA 1 1 5 2292 1 1 4 TYR HB2 H 9.235 -4.671 -5.342 1.00 . A A . 4 TYR HB2 1 1 5 2293 1 1 4 TYR HB3 H 10.388 -3.410 -4.967 1.00 . A A . 4 TYR HB3 1 1 5 2294 1 1 4 TYR HD1 H 9.890 -6.857 -5.041 1.00 . A A . 4 TYR HD1 1 1 5 2295 1 1 4 TYR HD2 H 11.754 -3.855 -2.647 1.00 . A A . 4 TYR HD2 1 1 5 2296 1 1 4 TYR HE1 H 11.424 -8.536 -4.099 1.00 . A A . 4 TYR HE1 1 1 5 2297 1 1 4 TYR HE2 H 13.272 -5.519 -1.736 1.00 . A A . 4 TYR HE2 1 1 5 2298 1 1 4 TYR HH H 13.374 -7.924 -1.397 1.00 . A A . 4 TYR HH 1 1 5 2299 1 1 4 TYR N N 7.817 -4.500 -3.266 1.00 . A A . 4 TYR N 1 1 5 2300 1 1 4 TYR O O 6.884 -2.169 -4.015 1.00 . A A . 4 TYR O 1 1 5 2301 1 1 4 TYR OH O 13.316 -8.070 -2.352 1.00 . A A . 4 TYR OH 1 1 5 2302 1 1 5 MET C C 7.202 -0.633 -6.539 1.00 . A A . 5 MET C 1 1 5 2303 1 1 5 MET CA C 8.222 -0.321 -5.473 1.00 . A A . 5 MET CA 1 1 5 2304 1 1 5 MET CB C 9.296 0.641 -5.999 1.00 . A A . 5 MET CB 1 1 5 2305 1 1 5 MET CE C 9.380 4.771 -6.040 1.00 . A A . 5 MET CE 1 1 5 2306 1 1 5 MET CG C 8.835 2.082 -6.018 1.00 . A A . 5 MET CG 1 1 5 2307 1 1 5 MET H H 9.709 -1.782 -5.261 1.00 . A A . 5 MET H 1 1 5 2308 1 1 5 MET HA H 7.681 0.157 -4.668 1.00 . A A . 5 MET HA 1 1 5 2309 1 1 5 MET HB2 H 10.177 0.573 -5.378 1.00 . A A . 5 MET HB2 1 1 5 2310 1 1 5 MET HB3 H 9.565 0.354 -7.003 1.00 . A A . 5 MET HB3 1 1 5 2311 1 1 5 MET HE1 H 8.367 4.904 -6.391 1.00 . A A . 5 MET HE1 1 1 5 2312 1 1 5 MET HE2 H 10.000 5.590 -6.373 1.00 . A A . 5 MET HE2 1 1 5 2313 1 1 5 MET HE3 H 9.397 4.737 -4.958 1.00 . A A . 5 MET HE3 1 1 5 2314 1 1 5 MET HG2 H 7.947 2.157 -6.627 1.00 . A A . 5 MET HG2 1 1 5 2315 1 1 5 MET HG3 H 8.596 2.356 -5.002 1.00 . A A . 5 MET HG3 1 1 5 2316 1 1 5 MET N N 8.801 -1.546 -4.973 1.00 . A A . 5 MET N 1 1 5 2317 1 1 5 MET O O 7.410 -1.525 -7.363 1.00 . A A . 5 MET O 1 1 5 2318 1 1 5 MET SD S 10.061 3.231 -6.652 1.00 . A A . 5 MET SD 1 1 5 2319 1 1 6 PHE C C 4.093 -1.302 -7.013 1.00 . A A . 6 PHE C 1 1 5 2320 1 1 6 PHE CA C 4.921 -0.074 -7.370 1.00 . A A . 6 PHE CA 1 1 5 2321 1 1 6 PHE CB C 5.304 -0.052 -8.867 1.00 . A A . 6 PHE CB 1 1 5 2322 1 1 6 PHE CD1 C 5.286 2.328 -9.648 1.00 . A A . 6 PHE CD1 1 1 5 2323 1 1 6 PHE CD2 C 7.386 1.265 -9.320 1.00 . A A . 6 PHE CD2 1 1 5 2324 1 1 6 PHE CE1 C 5.934 3.486 -10.029 1.00 . A A . 6 PHE CE1 1 1 5 2325 1 1 6 PHE CE2 C 8.041 2.410 -9.695 1.00 . A A . 6 PHE CE2 1 1 5 2326 1 1 6 PHE CG C 6.005 1.207 -9.290 1.00 . A A . 6 PHE CG 1 1 5 2327 1 1 6 PHE CZ C 7.315 3.528 -10.051 1.00 . A A . 6 PHE CZ 1 1 5 2328 1 1 6 PHE H H 6.010 0.735 -5.739 1.00 . A A . 6 PHE H 1 1 5 2329 1 1 6 PHE HA H 4.291 0.780 -7.158 1.00 . A A . 6 PHE HA 1 1 5 2330 1 1 6 PHE HB2 H 5.964 -0.882 -9.068 1.00 . A A . 6 PHE HB2 1 1 5 2331 1 1 6 PHE HB3 H 4.411 -0.159 -9.463 1.00 . A A . 6 PHE HB3 1 1 5 2332 1 1 6 PHE HD1 H 4.207 2.292 -9.624 1.00 . A A . 6 PHE HD1 1 1 5 2333 1 1 6 PHE HD2 H 7.955 0.390 -9.041 1.00 . A A . 6 PHE HD2 1 1 5 2334 1 1 6 PHE HE1 H 5.361 4.357 -10.308 1.00 . A A . 6 PHE HE1 1 1 5 2335 1 1 6 PHE HE2 H 9.121 2.422 -9.696 1.00 . A A . 6 PHE HE2 1 1 5 2336 1 1 6 PHE HZ H 7.826 4.432 -10.349 1.00 . A A . 6 PHE HZ 1 1 5 2337 1 1 6 PHE N N 6.074 0.074 -6.466 1.00 . A A . 6 PHE N 1 1 5 2338 1 1 6 PHE O O 3.093 -1.617 -7.677 1.00 . A A . 6 PHE O 1 1 5 2339 1 1 7 GLY C C 2.577 -2.578 -4.653 1.00 . A A . 7 GLY C 1 1 5 2340 1 1 7 GLY CA C 3.746 -3.089 -5.453 1.00 . A A . 7 GLY CA 1 1 5 2341 1 1 7 GLY H H 5.337 -1.733 -5.508 1.00 . A A . 7 GLY H 1 1 5 2342 1 1 7 GLY HA2 H 3.392 -3.677 -6.287 1.00 . A A . 7 GLY HA2 1 1 5 2343 1 1 7 GLY HA3 H 4.372 -3.699 -4.820 1.00 . A A . 7 GLY HA3 1 1 5 2344 1 1 7 GLY N N 4.500 -1.983 -5.957 1.00 . A A . 7 GLY N 1 1 5 2345 1 1 7 GLY O O 2.703 -1.566 -3.979 1.00 . A A . 7 GLY O 1 1 5 2346 1 1 8 ASP C C 0.307 -2.994 -2.608 1.00 . A A . 8 ASP C 1 1 5 2347 1 1 8 ASP CA C 0.208 -2.840 -4.089 1.00 . A A . 8 ASP CA 1 1 5 2348 1 1 8 ASP CB C -0.934 -3.678 -4.617 1.00 . A A . 8 ASP CB 1 1 5 2349 1 1 8 ASP CG C -2.288 -3.363 -4.014 1.00 . A A . 8 ASP CG 1 1 5 2350 1 1 8 ASP H H 1.461 -4.078 -5.273 1.00 . A A . 8 ASP H 1 1 5 2351 1 1 8 ASP HA H 0.017 -1.806 -4.330 1.00 . A A . 8 ASP HA 1 1 5 2352 1 1 8 ASP HB2 H -0.976 -3.383 -5.646 1.00 . A A . 8 ASP HB2 1 1 5 2353 1 1 8 ASP HB3 H -0.711 -4.730 -4.527 1.00 . A A . 8 ASP HB3 1 1 5 2354 1 1 8 ASP N N 1.459 -3.250 -4.750 1.00 . A A . 8 ASP N 1 1 5 2355 1 1 8 ASP O O 0.922 -3.939 -2.119 1.00 . A A . 8 ASP O 1 1 5 2356 1 1 8 ASP OD1 O -2.626 -3.902 -2.944 1.00 . A A . 8 ASP OD1 1 1 5 2357 1 1 8 ASP OD2 O -3.050 -2.597 -4.617 1.00 . A A . 8 ASP OD2 1 1 5 2358 1 1 9 CYS C C -1.393 -1.553 0.210 1.00 . A A . 9 CYS C 1 1 5 2359 1 1 9 CYS CA C -0.184 -2.152 -0.474 1.00 . A A . 9 CYS CA 1 1 5 2360 1 1 9 CYS CB C 1.071 -1.398 -0.079 1.00 . A A . 9 CYS CB 1 1 5 2361 1 1 9 CYS H H -0.844 -1.412 -2.316 1.00 . A A . 9 CYS H 1 1 5 2362 1 1 9 CYS HA H -0.060 -3.180 -0.175 1.00 . A A . 9 CYS HA 1 1 5 2363 1 1 9 CYS HB2 H 1.299 -1.535 0.966 1.00 . A A . 9 CYS HB2 1 1 5 2364 1 1 9 CYS HB3 H 1.838 -1.843 -0.701 1.00 . A A . 9 CYS HB3 1 1 5 2365 1 1 9 CYS N N -0.302 -2.111 -1.891 1.00 . A A . 9 CYS N 1 1 5 2366 1 1 9 CYS O O -2.145 -0.775 -0.392 1.00 . A A . 9 CYS O 1 1 5 2367 1 1 9 CYS SG S 1.035 0.395 -0.474 1.00 . A A . 9 CYS SG 1 1 5 2368 1 1 10 GLU C C -1.898 -0.705 3.446 1.00 . A A . 10 GLU C 1 1 5 2369 1 1 10 GLU CA C -2.606 -1.385 2.295 1.00 . A A . 10 GLU CA 1 1 5 2370 1 1 10 GLU CB C -3.543 -2.444 2.854 1.00 . A A . 10 GLU CB 1 1 5 2371 1 1 10 GLU CD C -5.524 -2.076 1.367 1.00 . A A . 10 GLU CD 1 1 5 2372 1 1 10 GLU CG C -4.500 -3.061 1.857 1.00 . A A . 10 GLU CG 1 1 5 2373 1 1 10 GLU H H -1.081 -2.723 1.798 1.00 . A A . 10 GLU H 1 1 5 2374 1 1 10 GLU HA H -3.171 -0.659 1.730 1.00 . A A . 10 GLU HA 1 1 5 2375 1 1 10 GLU HB2 H -2.941 -3.229 3.284 1.00 . A A . 10 GLU HB2 1 1 5 2376 1 1 10 GLU HB3 H -4.122 -1.992 3.644 1.00 . A A . 10 GLU HB3 1 1 5 2377 1 1 10 GLU HG2 H -3.935 -3.420 1.011 1.00 . A A . 10 GLU HG2 1 1 5 2378 1 1 10 GLU HG3 H -5.010 -3.890 2.326 1.00 . A A . 10 GLU HG3 1 1 5 2379 1 1 10 GLU N N -1.609 -1.972 1.438 1.00 . A A . 10 GLU N 1 1 5 2380 1 1 10 GLU O O -2.306 0.362 3.908 1.00 . A A . 10 GLU O 1 1 5 2381 1 1 10 GLU OE1 O -5.564 -1.790 0.162 1.00 . A A . 10 GLU OE1 1 1 5 2382 1 1 10 GLU OE2 O -6.326 -1.564 2.191 1.00 . A A . 10 GLU OE2 1 1 5 2383 1 1 11 LYS C C 1.404 -0.944 4.659 1.00 . A A . 11 LYS C 1 1 5 2384 1 1 11 LYS CA C -0.056 -0.845 4.995 1.00 . A A . 11 LYS CA 1 1 5 2385 1 1 11 LYS CB C -0.389 -1.659 6.253 1.00 . A A . 11 LYS CB 1 1 5 2386 1 1 11 LYS CD C -0.829 -3.935 7.270 1.00 . A A . 11 LYS CD 1 1 5 2387 1 1 11 LYS CE C -0.606 -5.448 7.161 1.00 . A A . 11 LYS CE 1 1 5 2388 1 1 11 LYS CG C -0.264 -3.175 6.079 1.00 . A A . 11 LYS CG 1 1 5 2389 1 1 11 LYS H H -0.491 -2.159 3.478 1.00 . A A . 11 LYS H 1 1 5 2390 1 1 11 LYS HA H -0.318 0.188 5.169 1.00 . A A . 11 LYS HA 1 1 5 2391 1 1 11 LYS HB2 H 0.298 -1.361 7.031 1.00 . A A . 11 LYS HB2 1 1 5 2392 1 1 11 LYS HB3 H -1.389 -1.413 6.564 1.00 . A A . 11 LYS HB3 1 1 5 2393 1 1 11 LYS HD2 H -0.340 -3.583 8.167 1.00 . A A . 11 LYS HD2 1 1 5 2394 1 1 11 LYS HD3 H -1.889 -3.739 7.338 1.00 . A A . 11 LYS HD3 1 1 5 2395 1 1 11 LYS HE2 H 0.454 -5.652 7.185 1.00 . A A . 11 LYS HE2 1 1 5 2396 1 1 11 LYS HE3 H -1.070 -5.921 8.015 1.00 . A A . 11 LYS HE3 1 1 5 2397 1 1 11 LYS HG2 H -0.809 -3.465 5.193 1.00 . A A . 11 LYS HG2 1 1 5 2398 1 1 11 LYS HG3 H 0.778 -3.425 5.952 1.00 . A A . 11 LYS HG3 1 1 5 2399 1 1 11 LYS HZ1 H -2.172 -5.815 5.792 1.00 . A A . 11 LYS HZ1 1 1 5 2400 1 1 11 LYS HZ2 H -1.116 -7.077 5.998 1.00 . A A . 11 LYS HZ2 1 1 5 2401 1 1 11 LYS HZ3 H -0.631 -5.777 5.064 1.00 . A A . 11 LYS HZ3 1 1 5 2402 1 1 11 LYS N N -0.823 -1.329 3.895 1.00 . A A . 11 LYS N 1 1 5 2403 1 1 11 LYS NZ N -1.167 -6.039 5.923 1.00 . A A . 11 LYS NZ 1 1 5 2404 1 1 11 LYS O O 1.780 -1.632 3.704 1.00 . A A . 11 LYS O 1 1 5 2405 1 1 12 ASP C C 4.296 -1.639 5.417 1.00 . A A . 12 ASP C 1 1 5 2406 1 1 12 ASP CA C 3.697 -0.290 5.226 1.00 . A A . 12 ASP CA 1 1 5 2407 1 1 12 ASP CB C 4.429 0.704 6.127 1.00 . A A . 12 ASP CB 1 1 5 2408 1 1 12 ASP CG C 4.219 2.119 5.727 1.00 . A A . 12 ASP CG 1 1 5 2409 1 1 12 ASP H H 1.835 0.157 6.232 1.00 . A A . 12 ASP H 1 1 5 2410 1 1 12 ASP HA H 3.851 0.002 4.198 1.00 . A A . 12 ASP HA 1 1 5 2411 1 1 12 ASP HB2 H 4.067 0.592 7.137 1.00 . A A . 12 ASP HB2 1 1 5 2412 1 1 12 ASP HB3 H 5.488 0.489 6.103 1.00 . A A . 12 ASP HB3 1 1 5 2413 1 1 12 ASP N N 2.230 -0.308 5.459 1.00 . A A . 12 ASP N 1 1 5 2414 1 1 12 ASP O O 5.370 -1.931 4.904 1.00 . A A . 12 ASP O 1 1 5 2415 1 1 12 ASP OD1 O 3.401 2.802 6.347 1.00 . A A . 12 ASP OD1 1 1 5 2416 1 1 12 ASP OD2 O 4.849 2.568 4.764 1.00 . A A . 12 ASP OD2 1 1 5 2417 1 1 13 GLU C C 4.026 -4.673 5.197 1.00 . A A . 13 GLU C 1 1 5 2418 1 1 13 GLU CA C 4.019 -3.822 6.428 1.00 . A A . 13 GLU CA 1 1 5 2419 1 1 13 GLU CB C 3.112 -4.446 7.457 1.00 . A A . 13 GLU CB 1 1 5 2420 1 1 13 GLU CD C 2.203 -4.308 9.814 1.00 . A A . 13 GLU CD 1 1 5 2421 1 1 13 GLU CG C 3.077 -3.674 8.767 1.00 . A A . 13 GLU CG 1 1 5 2422 1 1 13 GLU H H 2.677 -2.182 6.392 1.00 . A A . 13 GLU H 1 1 5 2423 1 1 13 GLU HA H 5.017 -3.763 6.833 1.00 . A A . 13 GLU HA 1 1 5 2424 1 1 13 GLU HB2 H 2.135 -4.483 6.997 1.00 . A A . 13 GLU HB2 1 1 5 2425 1 1 13 GLU HB3 H 3.439 -5.459 7.634 1.00 . A A . 13 GLU HB3 1 1 5 2426 1 1 13 GLU HG2 H 4.081 -3.613 9.160 1.00 . A A . 13 GLU HG2 1 1 5 2427 1 1 13 GLU HG3 H 2.714 -2.676 8.568 1.00 . A A . 13 GLU HG3 1 1 5 2428 1 1 13 GLU N N 3.567 -2.484 6.112 1.00 . A A . 13 GLU N 1 1 5 2429 1 1 13 GLU O O 4.761 -5.648 5.104 1.00 . A A . 13 GLU O 1 1 5 2430 1 1 13 GLU OE1 O 2.673 -5.214 10.532 1.00 . A A . 13 GLU OE1 1 1 5 2431 1 1 13 GLU OE2 O 1.050 -3.879 9.979 1.00 . A A . 13 GLU OE2 1 1 5 2432 1 1 14 ASP C C 4.316 -4.747 2.160 1.00 . A A . 14 ASP C 1 1 5 2433 1 1 14 ASP CA C 3.115 -5.035 3.025 1.00 . A A . 14 ASP CA 1 1 5 2434 1 1 14 ASP CB C 1.840 -4.698 2.259 1.00 . A A . 14 ASP CB 1 1 5 2435 1 1 14 ASP CG C 0.566 -4.850 3.054 1.00 . A A . 14 ASP CG 1 1 5 2436 1 1 14 ASP H H 2.703 -3.460 4.349 1.00 . A A . 14 ASP H 1 1 5 2437 1 1 14 ASP HA H 3.110 -6.084 3.280 1.00 . A A . 14 ASP HA 1 1 5 2438 1 1 14 ASP HB2 H 1.884 -3.701 1.848 1.00 . A A . 14 ASP HB2 1 1 5 2439 1 1 14 ASP HB3 H 1.812 -5.423 1.468 1.00 . A A . 14 ASP HB3 1 1 5 2440 1 1 14 ASP N N 3.222 -4.285 4.240 1.00 . A A . 14 ASP N 1 1 5 2441 1 1 14 ASP O O 4.763 -5.588 1.385 1.00 . A A . 14 ASP O 1 1 5 2442 1 1 14 ASP OD1 O -0.331 -3.973 2.947 1.00 . A A . 14 ASP OD1 1 1 5 2443 1 1 14 ASP OD2 O 0.429 -5.826 3.821 1.00 . A A . 14 ASP OD2 1 1 5 2444 1 1 15 CYS C C 7.240 -3.579 2.333 1.00 . A A . 15 CYS C 1 1 5 2445 1 1 15 CYS CA C 6.012 -3.166 1.579 1.00 . A A . 15 CYS CA 1 1 5 2446 1 1 15 CYS CB C 6.040 -1.649 1.398 1.00 . A A . 15 CYS CB 1 1 5 2447 1 1 15 CYS H H 4.511 -2.964 3.010 1.00 . A A . 15 CYS H 1 1 5 2448 1 1 15 CYS HA H 5.998 -3.641 0.610 1.00 . A A . 15 CYS HA 1 1 5 2449 1 1 15 CYS HB2 H 6.349 -1.164 2.310 1.00 . A A . 15 CYS HB2 1 1 5 2450 1 1 15 CYS HB3 H 6.780 -1.425 0.644 1.00 . A A . 15 CYS HB3 1 1 5 2451 1 1 15 CYS N N 4.864 -3.572 2.329 1.00 . A A . 15 CYS N 1 1 5 2452 1 1 15 CYS O O 7.180 -3.860 3.545 1.00 . A A . 15 CYS O 1 1 5 2453 1 1 15 CYS SG S 4.468 -0.939 0.837 1.00 . A A . 15 CYS SG 1 1 5 2454 1 1 16 CYS C C 10.001 -2.772 3.148 1.00 . A A . 16 CYS C 1 1 5 2455 1 1 16 CYS CA C 9.584 -3.939 2.244 1.00 . A A . 16 CYS CA 1 1 5 2456 1 1 16 CYS CB C 10.609 -4.208 1.176 1.00 . A A . 16 CYS CB 1 1 5 2457 1 1 16 CYS H H 8.286 -3.629 0.658 1.00 . A A . 16 CYS H 1 1 5 2458 1 1 16 CYS HA H 9.474 -4.825 2.851 1.00 . A A . 16 CYS HA 1 1 5 2459 1 1 16 CYS HB2 H 10.817 -3.290 0.657 1.00 . A A . 16 CYS HB2 1 1 5 2460 1 1 16 CYS HB3 H 11.535 -4.505 1.631 1.00 . A A . 16 CYS HB3 1 1 5 2461 1 1 16 CYS N N 8.326 -3.678 1.638 1.00 . A A . 16 CYS N 1 1 5 2462 1 1 16 CYS O O 9.431 -1.668 3.087 1.00 . A A . 16 CYS O 1 1 5 2463 1 1 16 CYS SG S 10.124 -5.548 0.044 1.00 . A A . 16 CYS SG 1 1 5 2464 1 1 17 LYS C C 11.938 -0.796 4.453 1.00 . A A . 17 LYS C 1 1 5 2465 1 1 17 LYS CA C 11.455 -2.105 4.981 1.00 . A A . 17 LYS CA 1 1 5 2466 1 1 17 LYS CB C 12.568 -2.744 5.779 1.00 . A A . 17 LYS CB 1 1 5 2467 1 1 17 LYS CD C 11.015 -4.077 7.197 1.00 . A A . 17 LYS CD 1 1 5 2468 1 1 17 LYS CE C 10.697 -5.435 7.780 1.00 . A A . 17 LYS CE 1 1 5 2469 1 1 17 LYS CG C 12.237 -4.112 6.303 1.00 . A A . 17 LYS CG 1 1 5 2470 1 1 17 LYS H H 11.563 -3.793 3.683 1.00 . A A . 17 LYS H 1 1 5 2471 1 1 17 LYS HA H 10.621 -1.934 5.640 1.00 . A A . 17 LYS HA 1 1 5 2472 1 1 17 LYS HB2 H 13.451 -2.813 5.164 1.00 . A A . 17 LYS HB2 1 1 5 2473 1 1 17 LYS HB3 H 12.787 -2.106 6.620 1.00 . A A . 17 LYS HB3 1 1 5 2474 1 1 17 LYS HD2 H 11.187 -3.380 8.003 1.00 . A A . 17 LYS HD2 1 1 5 2475 1 1 17 LYS HD3 H 10.170 -3.743 6.614 1.00 . A A . 17 LYS HD3 1 1 5 2476 1 1 17 LYS HE2 H 10.624 -6.161 6.985 1.00 . A A . 17 LYS HE2 1 1 5 2477 1 1 17 LYS HE3 H 11.493 -5.720 8.452 1.00 . A A . 17 LYS HE3 1 1 5 2478 1 1 17 LYS HG2 H 12.055 -4.763 5.460 1.00 . A A . 17 LYS HG2 1 1 5 2479 1 1 17 LYS HG3 H 13.107 -4.440 6.844 1.00 . A A . 17 LYS HG3 1 1 5 2480 1 1 17 LYS HZ1 H 8.642 -5.168 7.890 1.00 . A A . 17 LYS HZ1 1 1 5 2481 1 1 17 LYS HZ2 H 9.459 -4.678 9.271 1.00 . A A . 17 LYS HZ2 1 1 5 2482 1 1 17 LYS HZ3 H 9.227 -6.319 8.972 1.00 . A A . 17 LYS HZ3 1 1 5 2483 1 1 17 LYS N N 11.030 -2.999 3.902 1.00 . A A . 17 LYS N 1 1 5 2484 1 1 17 LYS NZ N 9.431 -5.403 8.525 1.00 . A A . 17 LYS NZ 1 1 5 2485 1 1 17 LYS O O 11.557 0.267 4.938 1.00 . A A . 17 LYS O 1 1 5 2486 1 1 18 HIS C C 12.295 1.153 2.067 1.00 . A A . 18 HIS C 1 1 5 2487 1 1 18 HIS CA C 13.349 0.303 2.809 1.00 . A A . 18 HIS CA 1 1 5 2488 1 1 18 HIS CB C 14.472 -0.103 1.839 1.00 . A A . 18 HIS CB 1 1 5 2489 1 1 18 HIS CD2 C 16.600 -0.140 3.306 1.00 . A A . 18 HIS CD2 1 1 5 2490 1 1 18 HIS CE1 C 17.157 -2.219 3.089 1.00 . A A . 18 HIS CE1 1 1 5 2491 1 1 18 HIS CG C 15.671 -0.710 2.505 1.00 . A A . 18 HIS CG 1 1 5 2492 1 1 18 HIS H H 13.041 -1.800 3.245 1.00 . A A . 18 HIS H 1 1 5 2493 1 1 18 HIS HA H 13.783 0.917 3.584 1.00 . A A . 18 HIS HA 1 1 5 2494 1 1 18 HIS HB2 H 14.083 -0.827 1.139 1.00 . A A . 18 HIS HB2 1 1 5 2495 1 1 18 HIS HB3 H 14.794 0.772 1.296 1.00 . A A . 18 HIS HB3 1 1 5 2496 1 1 18 HIS HD1 H 15.586 -2.723 1.849 1.00 . A A . 18 HIS HD1 1 1 5 2497 1 1 18 HIS HD2 H 16.619 0.893 3.618 1.00 . A A . 18 HIS HD2 1 1 5 2498 1 1 18 HIS HE1 H 17.680 -3.160 3.174 1.00 . A A . 18 HIS HE1 1 1 5 2499 1 1 18 HIS N N 12.776 -0.881 3.475 1.00 . A A . 18 HIS N 1 1 5 2500 1 1 18 HIS ND1 N 16.044 -2.032 2.376 1.00 . A A . 18 HIS ND1 1 1 5 2501 1 1 18 HIS NE2 N 17.539 -1.096 3.677 1.00 . A A . 18 HIS NE2 1 1 5 2502 1 1 18 HIS O O 12.606 2.214 1.547 1.00 . A A . 18 HIS O 1 1 5 2503 1 1 19 LEU C C 8.892 1.798 2.257 1.00 . A A . 19 LEU C 1 1 5 2504 1 1 19 LEU CA C 10.022 1.402 1.333 1.00 . A A . 19 LEU CA 1 1 5 2505 1 1 19 LEU CB C 9.471 0.548 0.178 1.00 . A A . 19 LEU CB 1 1 5 2506 1 1 19 LEU CD1 C 11.267 -0.929 -0.821 1.00 . A A . 19 LEU CD1 1 1 5 2507 1 1 19 LEU CD2 C 9.610 0.210 -2.283 1.00 . A A . 19 LEU CD2 1 1 5 2508 1 1 19 LEU CG C 10.400 0.299 -1.011 1.00 . A A . 19 LEU CG 1 1 5 2509 1 1 19 LEU H H 10.827 -0.105 2.541 1.00 . A A . 19 LEU H 1 1 5 2510 1 1 19 LEU HA H 10.412 2.325 0.922 1.00 . A A . 19 LEU HA 1 1 5 2511 1 1 19 LEU HB2 H 9.223 -0.416 0.599 1.00 . A A . 19 LEU HB2 1 1 5 2512 1 1 19 LEU HB3 H 8.553 0.991 -0.176 1.00 . A A . 19 LEU HB3 1 1 5 2513 1 1 19 LEU HD11 H 10.629 -1.795 -0.731 1.00 . A A . 19 LEU HD11 1 1 5 2514 1 1 19 LEU HD12 H 11.870 -0.819 0.069 1.00 . A A . 19 LEU HD12 1 1 5 2515 1 1 19 LEU HD13 H 11.901 -1.041 -1.688 1.00 . A A . 19 LEU HD13 1 1 5 2516 1 1 19 LEU HD21 H 10.279 0.028 -3.109 1.00 . A A . 19 LEU HD21 1 1 5 2517 1 1 19 LEU HD22 H 9.085 1.142 -2.442 1.00 . A A . 19 LEU HD22 1 1 5 2518 1 1 19 LEU HD23 H 8.898 -0.599 -2.211 1.00 . A A . 19 LEU HD23 1 1 5 2519 1 1 19 LEU HG H 11.068 1.143 -1.099 1.00 . A A . 19 LEU HG 1 1 5 2520 1 1 19 LEU N N 11.068 0.705 2.042 1.00 . A A . 19 LEU N 1 1 5 2521 1 1 19 LEU O O 8.941 1.561 3.470 1.00 . A A . 19 LEU O 1 1 5 2522 1 1 20 GLY C C 5.536 2.770 1.489 1.00 . A A . 20 GLY C 1 1 5 2523 1 1 20 GLY CA C 6.737 2.828 2.384 1.00 . A A . 20 GLY CA 1 1 5 2524 1 1 20 GLY H H 7.924 2.598 0.711 1.00 . A A . 20 GLY H 1 1 5 2525 1 1 20 GLY HA2 H 6.583 2.170 3.227 1.00 . A A . 20 GLY HA2 1 1 5 2526 1 1 20 GLY HA3 H 6.868 3.843 2.730 1.00 . A A . 20 GLY HA3 1 1 5 2527 1 1 20 GLY N N 7.896 2.412 1.679 1.00 . A A . 20 GLY N 1 1 5 2528 1 1 20 GLY O O 5.665 2.892 0.270 1.00 . A A . 20 GLY O 1 1 5 2529 1 1 21 CYS C C 2.579 3.841 1.008 1.00 . A A . 21 CYS C 1 1 5 2530 1 1 21 CYS CA C 3.174 2.463 1.304 1.00 . A A . 21 CYS CA 1 1 5 2531 1 1 21 CYS CB C 2.177 1.588 2.086 1.00 . A A . 21 CYS CB 1 1 5 2532 1 1 21 CYS H H 4.390 2.558 3.051 1.00 . A A . 21 CYS H 1 1 5 2533 1 1 21 CYS HA H 3.406 1.974 0.369 1.00 . A A . 21 CYS HA 1 1 5 2534 1 1 21 CYS HB2 H 2.619 0.616 2.249 1.00 . A A . 21 CYS HB2 1 1 5 2535 1 1 21 CYS HB3 H 1.991 2.050 3.044 1.00 . A A . 21 CYS HB3 1 1 5 2536 1 1 21 CYS N N 4.400 2.593 2.062 1.00 . A A . 21 CYS N 1 1 5 2537 1 1 21 CYS O O 2.434 4.674 1.915 1.00 . A A . 21 CYS O 1 1 5 2538 1 1 21 CYS SG S 0.563 1.313 1.275 1.00 . A A . 21 CYS SG 1 1 5 2539 1 1 22 LYS C C 0.197 5.187 -0.628 1.00 . A A . 22 LYS C 1 1 5 2540 1 1 22 LYS CA C 1.648 5.348 -0.605 1.00 . A A . 22 LYS CA 1 1 5 2541 1 1 22 LYS CB C 2.128 5.923 -1.918 1.00 . A A . 22 LYS CB 1 1 5 2542 1 1 22 LYS CD C 3.638 7.598 -0.869 1.00 . A A . 22 LYS CD 1 1 5 2543 1 1 22 LYS CE C 5.064 8.119 -0.819 1.00 . A A . 22 LYS CE 1 1 5 2544 1 1 22 LYS CG C 3.515 6.439 -1.845 1.00 . A A . 22 LYS CG 1 1 5 2545 1 1 22 LYS H H 2.481 3.464 -0.960 1.00 . A A . 22 LYS H 1 1 5 2546 1 1 22 LYS HA H 1.878 6.047 0.182 1.00 . A A . 22 LYS HA 1 1 5 2547 1 1 22 LYS HB2 H 2.086 5.150 -2.672 1.00 . A A . 22 LYS HB2 1 1 5 2548 1 1 22 LYS HB3 H 1.470 6.729 -2.203 1.00 . A A . 22 LYS HB3 1 1 5 2549 1 1 22 LYS HD2 H 2.969 8.382 -1.184 1.00 . A A . 22 LYS HD2 1 1 5 2550 1 1 22 LYS HD3 H 3.334 7.274 0.118 1.00 . A A . 22 LYS HD3 1 1 5 2551 1 1 22 LYS HE2 H 5.714 7.323 -0.486 1.00 . A A . 22 LYS HE2 1 1 5 2552 1 1 22 LYS HE3 H 5.354 8.425 -1.813 1.00 . A A . 22 LYS HE3 1 1 5 2553 1 1 22 LYS HG2 H 4.050 5.604 -1.434 1.00 . A A . 22 LYS HG2 1 1 5 2554 1 1 22 LYS HG3 H 3.876 6.711 -2.825 1.00 . A A . 22 LYS HG3 1 1 5 2555 1 1 22 LYS HZ1 H 4.789 10.115 -0.311 1.00 . A A . 22 LYS HZ1 1 1 5 2556 1 1 22 LYS HZ2 H 6.210 9.452 0.338 1.00 . A A . 22 LYS HZ2 1 1 5 2557 1 1 22 LYS HZ3 H 4.715 9.073 0.993 1.00 . A A . 22 LYS HZ3 1 1 5 2558 1 1 22 LYS N N 2.284 4.112 -0.245 1.00 . A A . 22 LYS N 1 1 5 2559 1 1 22 LYS NZ N 5.210 9.259 0.099 1.00 . A A . 22 LYS NZ 1 1 5 2560 1 1 22 LYS O O -0.360 4.540 -1.516 1.00 . A A . 22 LYS O 1 1 5 2561 1 1 23 ARG C C -2.615 6.492 -0.530 1.00 . A A . 23 ARG C 1 1 5 2562 1 1 23 ARG CA C -1.823 5.820 0.547 1.00 . A A . 23 ARG CA 1 1 5 2563 1 1 23 ARG CB C -2.122 6.467 1.897 1.00 . A A . 23 ARG CB 1 1 5 2564 1 1 23 ARG CD C -0.489 5.012 3.244 1.00 . A A . 23 ARG CD 1 1 5 2565 1 1 23 ARG CG C -1.880 5.597 3.127 1.00 . A A . 23 ARG CG 1 1 5 2566 1 1 23 ARG CZ C 0.730 3.740 5.005 1.00 . A A . 23 ARG CZ 1 1 5 2567 1 1 23 ARG H H 0.138 6.471 0.834 1.00 . A A . 23 ARG H 1 1 5 2568 1 1 23 ARG HA H -2.126 4.789 0.595 1.00 . A A . 23 ARG HA 1 1 5 2569 1 1 23 ARG HB2 H -1.508 7.349 1.993 1.00 . A A . 23 ARG HB2 1 1 5 2570 1 1 23 ARG HB3 H -3.158 6.773 1.899 1.00 . A A . 23 ARG HB3 1 1 5 2571 1 1 23 ARG HD2 H -0.267 4.448 2.351 1.00 . A A . 23 ARG HD2 1 1 5 2572 1 1 23 ARG HD3 H 0.225 5.814 3.355 1.00 . A A . 23 ARG HD3 1 1 5 2573 1 1 23 ARG HE H -1.262 3.828 4.780 1.00 . A A . 23 ARG HE 1 1 5 2574 1 1 23 ARG HG2 H -1.978 6.251 3.978 1.00 . A A . 23 ARG HG2 1 1 5 2575 1 1 23 ARG HG3 H -2.612 4.806 3.152 1.00 . A A . 23 ARG HG3 1 1 5 2576 1 1 23 ARG HH11 H 2.021 4.577 3.647 1.00 . A A . 23 ARG HH11 1 1 5 2577 1 1 23 ARG HH12 H 2.736 3.747 4.982 1.00 . A A . 23 ARG HH12 1 1 5 2578 1 1 23 ARG HH21 H -0.189 2.702 6.499 1.00 . A A . 23 ARG HH21 1 1 5 2579 1 1 23 ARG HH22 H 1.533 2.703 6.542 1.00 . A A . 23 ARG HH22 1 1 5 2580 1 1 23 ARG N N -0.410 5.865 0.287 1.00 . A A . 23 ARG N 1 1 5 2581 1 1 23 ARG NE N -0.396 4.129 4.413 1.00 . A A . 23 ARG NE 1 1 5 2582 1 1 23 ARG NH1 N 1.902 4.050 4.496 1.00 . A A . 23 ARG NH1 1 1 5 2583 1 1 23 ARG NH2 N 0.680 2.997 6.089 1.00 . A A . 23 ARG NH2 1 1 5 2584 1 1 23 ARG O O -3.832 6.344 -0.608 1.00 . A A . 23 ARG O 1 1 5 2585 1 1 24 LYS C C -2.754 7.093 -3.625 1.00 . A A . 24 LYS C 1 1 5 2586 1 1 24 LYS CA C -2.637 7.945 -2.396 1.00 . A A . 24 LYS CA 1 1 5 2587 1 1 24 LYS CB C -1.936 9.261 -2.706 1.00 . A A . 24 LYS CB 1 1 5 2588 1 1 24 LYS CD C -3.215 10.766 -1.065 1.00 . A A . 24 LYS CD 1 1 5 2589 1 1 24 LYS CE C -3.793 11.865 -1.984 1.00 . A A . 24 LYS CE 1 1 5 2590 1 1 24 LYS CG C -1.856 10.222 -1.521 1.00 . A A . 24 LYS CG 1 1 5 2591 1 1 24 LYS H H -0.955 7.187 -1.314 1.00 . A A . 24 LYS H 1 1 5 2592 1 1 24 LYS HA H -3.632 8.151 -2.032 1.00 . A A . 24 LYS HA 1 1 5 2593 1 1 24 LYS HB2 H -0.933 9.041 -3.037 1.00 . A A . 24 LYS HB2 1 1 5 2594 1 1 24 LYS HB3 H -2.469 9.750 -3.506 1.00 . A A . 24 LYS HB3 1 1 5 2595 1 1 24 LYS HD2 H -3.922 9.951 -1.020 1.00 . A A . 24 LYS HD2 1 1 5 2596 1 1 24 LYS HD3 H -3.095 11.171 -0.071 1.00 . A A . 24 LYS HD3 1 1 5 2597 1 1 24 LYS HE2 H -4.675 12.267 -1.513 1.00 . A A . 24 LYS HE2 1 1 5 2598 1 1 24 LYS HE3 H -3.058 12.654 -2.068 1.00 . A A . 24 LYS HE3 1 1 5 2599 1 1 24 LYS HG2 H -1.409 9.701 -0.688 1.00 . A A . 24 LYS HG2 1 1 5 2600 1 1 24 LYS HG3 H -1.222 11.052 -1.796 1.00 . A A . 24 LYS HG3 1 1 5 2601 1 1 24 LYS HZ1 H -4.804 10.583 -3.309 1.00 . A A . 24 LYS HZ1 1 1 5 2602 1 1 24 LYS HZ2 H -3.336 11.196 -3.936 1.00 . A A . 24 LYS HZ2 1 1 5 2603 1 1 24 LYS HZ3 H -4.680 12.167 -3.823 1.00 . A A . 24 LYS HZ3 1 1 5 2604 1 1 24 LYS N N -1.940 7.217 -1.367 1.00 . A A . 24 LYS N 1 1 5 2605 1 1 24 LYS NZ N -4.163 11.402 -3.343 1.00 . A A . 24 LYS NZ 1 1 5 2606 1 1 24 LYS O O -3.716 7.185 -4.388 1.00 . A A . 24 LYS O 1 1 5 2607 1 1 25 MET C C -1.881 3.973 -4.741 1.00 . A A . 25 MET C 1 1 5 2608 1 1 25 MET CA C -1.690 5.445 -4.988 1.00 . A A . 25 MET CA 1 1 5 2609 1 1 25 MET CB C -0.400 5.708 -5.696 1.00 . A A . 25 MET CB 1 1 5 2610 1 1 25 MET CE C -1.282 8.594 -8.504 1.00 . A A . 25 MET CE 1 1 5 2611 1 1 25 MET CG C -0.379 7.001 -6.463 1.00 . A A . 25 MET CG 1 1 5 2612 1 1 25 MET H H -1.105 6.131 -3.097 1.00 . A A . 25 MET H 1 1 5 2613 1 1 25 MET HA H -2.485 5.773 -5.641 1.00 . A A . 25 MET HA 1 1 5 2614 1 1 25 MET HB2 H 0.399 5.729 -4.968 1.00 . A A . 25 MET HB2 1 1 5 2615 1 1 25 MET HB3 H -0.217 4.893 -6.373 1.00 . A A . 25 MET HB3 1 1 5 2616 1 1 25 MET HE1 H -1.284 9.408 -7.796 1.00 . A A . 25 MET HE1 1 1 5 2617 1 1 25 MET HE2 H -1.993 8.782 -9.295 1.00 . A A . 25 MET HE2 1 1 5 2618 1 1 25 MET HE3 H -0.294 8.474 -8.920 1.00 . A A . 25 MET HE3 1 1 5 2619 1 1 25 MET HG2 H -0.488 7.824 -5.772 1.00 . A A . 25 MET HG2 1 1 5 2620 1 1 25 MET HG3 H 0.564 7.079 -6.982 1.00 . A A . 25 MET HG3 1 1 5 2621 1 1 25 MET N N -1.778 6.246 -3.804 1.00 . A A . 25 MET N 1 1 5 2622 1 1 25 MET O O -2.065 3.203 -5.681 1.00 . A A . 25 MET O 1 1 5 2623 1 1 25 MET SD S -1.705 7.077 -7.676 1.00 . A A . 25 MET SD 1 1 5 2624 1 1 26 LYS C C -0.800 1.383 -3.502 1.00 . A A . 26 LYS C 1 1 5 2625 1 1 26 LYS CA C -1.953 2.214 -3.030 1.00 . A A . 26 LYS CA 1 1 5 2626 1 1 26 LYS CB C -3.315 1.616 -3.413 1.00 . A A . 26 LYS CB 1 1 5 2627 1 1 26 LYS CD C -4.360 2.618 -1.357 1.00 . A A . 26 LYS CD 1 1 5 2628 1 1 26 LYS CE C -4.507 1.302 -0.598 1.00 . A A . 26 LYS CE 1 1 5 2629 1 1 26 LYS CG C -4.477 2.425 -2.865 1.00 . A A . 26 LYS CG 1 1 5 2630 1 1 26 LYS H H -1.643 4.260 -2.785 1.00 . A A . 26 LYS H 1 1 5 2631 1 1 26 LYS HA H -1.865 2.226 -1.955 1.00 . A A . 26 LYS HA 1 1 5 2632 1 1 26 LYS HB2 H -3.390 1.592 -4.490 1.00 . A A . 26 LYS HB2 1 1 5 2633 1 1 26 LYS HB3 H -3.384 0.610 -3.030 1.00 . A A . 26 LYS HB3 1 1 5 2634 1 1 26 LYS HD2 H -3.371 3.021 -1.175 1.00 . A A . 26 LYS HD2 1 1 5 2635 1 1 26 LYS HD3 H -5.101 3.326 -1.020 1.00 . A A . 26 LYS HD3 1 1 5 2636 1 1 26 LYS HE2 H -3.711 0.633 -0.886 1.00 . A A . 26 LYS HE2 1 1 5 2637 1 1 26 LYS HE3 H -4.433 1.502 0.461 1.00 . A A . 26 LYS HE3 1 1 5 2638 1 1 26 LYS HG2 H -4.481 3.394 -3.342 1.00 . A A . 26 LYS HG2 1 1 5 2639 1 1 26 LYS HG3 H -5.400 1.910 -3.086 1.00 . A A . 26 LYS HG3 1 1 5 2640 1 1 26 LYS HZ1 H -5.934 0.483 -1.880 1.00 . A A . 26 LYS HZ1 1 1 5 2641 1 1 26 LYS HZ2 H -6.589 1.205 -0.485 1.00 . A A . 26 LYS HZ2 1 1 5 2642 1 1 26 LYS HZ3 H -5.797 -0.285 -0.385 1.00 . A A . 26 LYS HZ3 1 1 5 2643 1 1 26 LYS N N -1.816 3.593 -3.483 1.00 . A A . 26 LYS N 1 1 5 2644 1 1 26 LYS NZ N -5.799 0.646 -0.864 1.00 . A A . 26 LYS NZ 1 1 5 2645 1 1 26 LYS O O -0.939 0.194 -3.785 1.00 . A A . 26 LYS O 1 1 5 2646 1 1 27 TYR C C 2.737 1.697 -3.104 1.00 . A A . 27 TYR C 1 1 5 2647 1 1 27 TYR CA C 1.558 1.274 -3.909 1.00 . A A . 27 TYR CA 1 1 5 2648 1 1 27 TYR CB C 1.889 1.275 -5.436 1.00 . A A . 27 TYR CB 1 1 5 2649 1 1 27 TYR CD1 C 3.701 3.017 -5.887 1.00 . A A . 27 TYR CD1 1 1 5 2650 1 1 27 TYR CD2 C 1.596 3.299 -6.969 1.00 . A A . 27 TYR CD2 1 1 5 2651 1 1 27 TYR CE1 C 4.188 4.133 -6.521 1.00 . A A . 27 TYR CE1 1 1 5 2652 1 1 27 TYR CE2 C 2.086 4.427 -7.598 1.00 . A A . 27 TYR CE2 1 1 5 2653 1 1 27 TYR CG C 2.392 2.570 -6.090 1.00 . A A . 27 TYR CG 1 1 5 2654 1 1 27 TYR CZ C 3.379 4.834 -7.373 1.00 . A A . 27 TYR CZ 1 1 5 2655 1 1 27 TYR H H 0.347 2.912 -3.157 1.00 . A A . 27 TYR H 1 1 5 2656 1 1 27 TYR HA H 1.365 0.254 -3.609 1.00 . A A . 27 TYR HA 1 1 5 2657 1 1 27 TYR HB2 H 2.681 0.554 -5.578 1.00 . A A . 27 TYR HB2 1 1 5 2658 1 1 27 TYR HB3 H 1.034 0.914 -5.976 1.00 . A A . 27 TYR HB3 1 1 5 2659 1 1 27 TYR HD1 H 4.345 2.477 -5.207 1.00 . A A . 27 TYR HD1 1 1 5 2660 1 1 27 TYR HD2 H 0.574 3.010 -7.164 1.00 . A A . 27 TYR HD2 1 1 5 2661 1 1 27 TYR HE1 H 5.204 4.454 -6.345 1.00 . A A . 27 TYR HE1 1 1 5 2662 1 1 27 TYR HE2 H 1.447 4.984 -8.267 1.00 . A A . 27 TYR HE2 1 1 5 2663 1 1 27 TYR HH H 3.165 6.607 -7.948 1.00 . A A . 27 TYR HH 1 1 5 2664 1 1 27 TYR N N 0.350 1.994 -3.515 1.00 . A A . 27 TYR N 1 1 5 2665 1 1 27 TYR O O 2.748 2.779 -2.532 1.00 . A A . 27 TYR O 1 1 5 2666 1 1 27 TYR OH O 3.867 5.948 -8.016 1.00 . A A . 27 TYR OH 1 1 5 2667 1 1 28 CYS C C 5.876 1.987 -3.044 1.00 . A A . 28 CYS C 1 1 5 2668 1 1 28 CYS CA C 4.892 1.106 -2.299 1.00 . A A . 28 CYS CA 1 1 5 2669 1 1 28 CYS CB C 5.545 -0.219 -1.918 1.00 . A A . 28 CYS CB 1 1 5 2670 1 1 28 CYS H H 3.636 0.052 -3.626 1.00 . A A . 28 CYS H 1 1 5 2671 1 1 28 CYS HA H 4.591 1.608 -1.393 1.00 . A A . 28 CYS HA 1 1 5 2672 1 1 28 CYS HB2 H 5.950 -0.686 -2.804 1.00 . A A . 28 CYS HB2 1 1 5 2673 1 1 28 CYS HB3 H 6.351 -0.026 -1.224 1.00 . A A . 28 CYS HB3 1 1 5 2674 1 1 28 CYS N N 3.722 0.869 -3.085 1.00 . A A . 28 CYS N 1 1 5 2675 1 1 28 CYS O O 6.193 1.746 -4.216 1.00 . A A . 28 CYS O 1 1 5 2676 1 1 28 CYS SG S 4.407 -1.406 -1.130 1.00 . A A . 28 CYS SG 1 1 5 2677 1 1 29 ALA C C 8.454 3.844 -1.885 1.00 . A A . 29 ALA C 1 1 5 2678 1 1 29 ALA CA C 7.312 3.913 -2.871 1.00 . A A . 29 ALA CA 1 1 5 2679 1 1 29 ALA CB C 6.744 5.315 -2.972 1.00 . A A . 29 ALA CB 1 1 5 2680 1 1 29 ALA H H 5.977 3.151 -1.464 1.00 . A A . 29 ALA H 1 1 5 2681 1 1 29 ALA HA H 7.638 3.571 -3.841 1.00 . A A . 29 ALA HA 1 1 5 2682 1 1 29 ALA HB1 H 7.505 5.992 -3.330 1.00 . A A . 29 ALA HB1 1 1 5 2683 1 1 29 ALA HB2 H 6.402 5.636 -1.999 1.00 . A A . 29 ALA HB2 1 1 5 2684 1 1 29 ALA HB3 H 5.913 5.303 -3.663 1.00 . A A . 29 ALA HB3 1 1 5 2685 1 1 29 ALA N N 6.314 3.010 -2.380 1.00 . A A . 29 ALA N 1 1 5 2686 1 1 29 ALA O O 8.375 3.067 -0.963 1.00 . A A . 29 ALA O 1 1 5 2687 1 1 30 TRP C C 10.391 5.196 0.257 1.00 . A A . 30 TRP C 1 1 5 2688 1 1 30 TRP CA C 10.633 4.554 -1.102 1.00 . A A . 30 TRP CA 1 1 5 2689 1 1 30 TRP CB C 11.907 5.109 -1.735 1.00 . A A . 30 TRP CB 1 1 5 2690 1 1 30 TRP CD1 C 12.273 4.602 -4.197 1.00 . A A . 30 TRP CD1 1 1 5 2691 1 1 30 TRP CD2 C 13.027 3.058 -2.806 1.00 . A A . 30 TRP CD2 1 1 5 2692 1 1 30 TRP CE2 C 13.302 2.629 -4.105 1.00 . A A . 30 TRP CE2 1 1 5 2693 1 1 30 TRP CE3 C 13.392 2.279 -1.748 1.00 . A A . 30 TRP CE3 1 1 5 2694 1 1 30 TRP CG C 12.382 4.307 -2.887 1.00 . A A . 30 TRP CG 1 1 5 2695 1 1 30 TRP CH2 C 14.298 0.657 -3.291 1.00 . A A . 30 TRP CH2 1 1 5 2696 1 1 30 TRP CZ2 C 13.942 1.421 -4.368 1.00 . A A . 30 TRP CZ2 1 1 5 2697 1 1 30 TRP CZ3 C 14.027 1.077 -1.985 1.00 . A A . 30 TRP CZ3 1 1 5 2698 1 1 30 TRP H H 9.469 5.375 -2.684 1.00 . A A . 30 TRP H 1 1 5 2699 1 1 30 TRP HA H 10.774 3.496 -0.938 1.00 . A A . 30 TRP HA 1 1 5 2700 1 1 30 TRP HB2 H 11.745 6.117 -2.071 1.00 . A A . 30 TRP HB2 1 1 5 2701 1 1 30 TRP HB3 H 12.689 5.112 -0.991 1.00 . A A . 30 TRP HB3 1 1 5 2702 1 1 30 TRP HD1 H 11.807 5.508 -4.555 1.00 . A A . 30 TRP HD1 1 1 5 2703 1 1 30 TRP HE1 H 12.886 3.546 -5.929 1.00 . A A . 30 TRP HE1 1 1 5 2704 1 1 30 TRP HE3 H 13.150 2.657 -0.767 1.00 . A A . 30 TRP HE3 1 1 5 2705 1 1 30 TRP HH2 H 14.796 -0.290 -3.437 1.00 . A A . 30 TRP HH2 1 1 5 2706 1 1 30 TRP HZ2 H 14.156 1.089 -5.373 1.00 . A A . 30 TRP HZ2 1 1 5 2707 1 1 30 TRP HZ3 H 14.322 0.450 -1.156 1.00 . A A . 30 TRP HZ3 1 1 5 2708 1 1 30 TRP N N 9.473 4.663 -2.009 1.00 . A A . 30 TRP N 1 1 5 2709 1 1 30 TRP NE1 N 12.833 3.590 -4.948 1.00 . A A . 30 TRP NE1 1 1 5 2710 1 1 30 TRP O O 11.309 5.300 1.085 1.00 . A A . 30 TRP O 1 1 5 2711 1 1 31 ASP C C 7.282 6.235 1.704 1.00 . A A . 31 ASP C 1 1 5 2712 1 1 31 ASP CA C 8.778 6.210 1.708 1.00 . A A . 31 ASP CA 1 1 5 2713 1 1 31 ASP CB C 9.329 7.630 1.777 1.00 . A A . 31 ASP CB 1 1 5 2714 1 1 31 ASP CG C 8.611 8.622 0.872 1.00 . A A . 31 ASP CG 1 1 5 2715 1 1 31 ASP H H 8.436 5.474 -0.138 1.00 . A A . 31 ASP H 1 1 5 2716 1 1 31 ASP HA H 9.141 5.632 2.544 1.00 . A A . 31 ASP HA 1 1 5 2717 1 1 31 ASP HB2 H 9.334 7.983 2.794 1.00 . A A . 31 ASP HB2 1 1 5 2718 1 1 31 ASP HB3 H 10.346 7.514 1.430 1.00 . A A . 31 ASP HB3 1 1 5 2719 1 1 31 ASP N N 9.167 5.593 0.502 1.00 . A A . 31 ASP N 1 1 5 2720 1 1 31 ASP O O 6.666 5.921 0.684 1.00 . A A . 31 ASP O 1 1 5 2721 1 1 31 ASP OD1 O 7.678 9.322 1.336 1.00 . A A . 31 ASP OD1 1 1 5 2722 1 1 31 ASP OD2 O 8.964 8.731 -0.321 1.00 . A A . 31 ASP OD2 1 1 5 2723 1 1 32 PHE C C 4.800 8.078 3.107 1.00 . A A . 32 PHE C 1 1 5 2724 1 1 32 PHE CA C 5.264 6.636 2.920 1.00 . A A . 32 PHE CA 1 1 5 2725 1 1 32 PHE CB C 4.728 5.734 4.060 1.00 . A A . 32 PHE CB 1 1 5 2726 1 1 32 PHE CD1 C 4.253 6.935 6.226 1.00 . A A . 32 PHE CD1 1 1 5 2727 1 1 32 PHE CD2 C 6.303 5.738 6.026 1.00 . A A . 32 PHE CD2 1 1 5 2728 1 1 32 PHE CE1 C 4.588 7.312 7.508 1.00 . A A . 32 PHE CE1 1 1 5 2729 1 1 32 PHE CE2 C 6.646 6.113 7.310 1.00 . A A . 32 PHE CE2 1 1 5 2730 1 1 32 PHE CG C 5.107 6.143 5.467 1.00 . A A . 32 PHE CG 1 1 5 2731 1 1 32 PHE CZ C 5.788 6.901 8.052 1.00 . A A . 32 PHE CZ 1 1 5 2732 1 1 32 PHE H H 7.326 6.765 3.534 1.00 . A A . 32 PHE H 1 1 5 2733 1 1 32 PHE HA H 4.860 6.283 1.982 1.00 . A A . 32 PHE HA 1 1 5 2734 1 1 32 PHE HB2 H 3.649 5.726 4.014 1.00 . A A . 32 PHE HB2 1 1 5 2735 1 1 32 PHE HB3 H 5.084 4.728 3.899 1.00 . A A . 32 PHE HB3 1 1 5 2736 1 1 32 PHE HD1 H 3.315 7.258 5.798 1.00 . A A . 32 PHE HD1 1 1 5 2737 1 1 32 PHE HD2 H 6.975 5.123 5.447 1.00 . A A . 32 PHE HD2 1 1 5 2738 1 1 32 PHE HE1 H 3.915 7.928 8.086 1.00 . A A . 32 PHE HE1 1 1 5 2739 1 1 32 PHE HE2 H 7.585 5.792 7.735 1.00 . A A . 32 PHE HE2 1 1 5 2740 1 1 32 PHE HZ H 6.054 7.195 9.057 1.00 . A A . 32 PHE HZ 1 1 5 2741 1 1 32 PHE N N 6.712 6.566 2.800 1.00 . A A . 32 PHE N 1 1 5 2742 1 1 32 PHE O O 3.745 8.465 2.586 1.00 . A A . 32 PHE O 1 1 5 2743 1 1 33 THR C C 4.801 11.107 3.006 1.00 . A A . 33 THR C 1 1 5 2744 1 1 33 THR CA C 5.347 10.255 4.154 1.00 . A A . 33 THR CA 1 1 5 2745 1 1 33 THR CB C 6.614 10.893 4.715 1.00 . A A . 33 THR CB 1 1 5 2746 1 1 33 THR CG2 C 6.846 10.456 6.155 1.00 . A A . 33 THR CG2 1 1 5 2747 1 1 33 THR H H 6.512 8.523 4.051 1.00 . A A . 33 THR H 1 1 5 2748 1 1 33 THR HA H 4.618 10.235 4.949 1.00 . A A . 33 THR HA 1 1 5 2749 1 1 33 THR HB H 6.499 11.966 4.677 1.00 . A A . 33 THR HB 1 1 5 2750 1 1 33 THR HG1 H 7.429 10.274 2.999 1.00 . A A . 33 THR HG1 1 1 5 2751 1 1 33 THR HG21 H 7.770 10.881 6.519 1.00 . A A . 33 THR HG21 1 1 5 2752 1 1 33 THR HG22 H 6.894 9.379 6.207 1.00 . A A . 33 THR HG22 1 1 5 2753 1 1 33 THR HG23 H 6.029 10.803 6.768 1.00 . A A . 33 THR HG23 1 1 5 2754 1 1 33 THR N N 5.633 8.870 3.781 1.00 . A A . 33 THR N 1 1 5 2755 1 1 33 THR O O 5.468 11.304 1.991 1.00 . A A . 33 THR O 1 1 5 2756 1 1 33 THR OG1 O 7.742 10.510 3.886 1.00 . A A . 33 THR OG1 1 1 5 2757 1 1 34 PHE C C 2.791 13.808 2.645 1.00 . A A . 34 PHE C 1 1 5 2758 1 1 34 PHE CA C 2.980 12.394 2.146 1.00 . A A . 34 PHE CA 1 1 5 2759 1 1 34 PHE CB C 1.657 11.785 1.632 1.00 . A A . 34 PHE CB 1 1 5 2760 1 1 34 PHE CD1 C 0.510 10.423 3.414 1.00 . A A . 34 PHE CD1 1 1 5 2761 1 1 34 PHE CD2 C -0.431 12.532 2.831 1.00 . A A . 34 PHE CD2 1 1 5 2762 1 1 34 PHE CE1 C -0.500 10.225 4.327 1.00 . A A . 34 PHE CE1 1 1 5 2763 1 1 34 PHE CE2 C -1.442 12.339 3.746 1.00 . A A . 34 PHE CE2 1 1 5 2764 1 1 34 PHE CG C 0.562 11.578 2.654 1.00 . A A . 34 PHE CG 1 1 5 2765 1 1 34 PHE CZ C -1.476 11.184 4.495 1.00 . A A . 34 PHE CZ 1 1 5 2766 1 1 34 PHE H H 3.090 11.384 3.982 1.00 . A A . 34 PHE H 1 1 5 2767 1 1 34 PHE HA H 3.682 12.433 1.325 1.00 . A A . 34 PHE HA 1 1 5 2768 1 1 34 PHE HB2 H 1.254 12.443 0.879 1.00 . A A . 34 PHE HB2 1 1 5 2769 1 1 34 PHE HB3 H 1.883 10.830 1.183 1.00 . A A . 34 PHE HB3 1 1 5 2770 1 1 34 PHE HD1 H 1.276 9.672 3.290 1.00 . A A . 34 PHE HD1 1 1 5 2771 1 1 34 PHE HD2 H -0.404 13.438 2.243 1.00 . A A . 34 PHE HD2 1 1 5 2772 1 1 34 PHE HE1 H -0.529 9.318 4.912 1.00 . A A . 34 PHE HE1 1 1 5 2773 1 1 34 PHE HE2 H -2.204 13.092 3.875 1.00 . A A . 34 PHE HE2 1 1 5 2774 1 1 34 PHE HZ H -2.267 11.029 5.213 1.00 . A A . 34 PHE HZ 1 1 5 2775 1 1 34 PHE N N 3.590 11.577 3.158 1.00 . A A . 34 PHE N 1 1 5 2776 1 1 34 PHE O O 2.226 14.027 3.719 1.00 . A A . 34 PHE O 1 1 5 2777 1 1 35 THR C C 3.642 16.965 1.027 1.00 . A A . 35 THR C 1 1 5 2778 1 1 35 THR CA C 3.209 16.143 2.231 1.00 . A A . 35 THR CA 1 1 5 2779 1 1 35 THR CB C 4.063 16.504 3.487 1.00 . A A . 35 THR CB 1 1 5 2780 1 1 35 THR CG2 C 5.508 16.075 3.321 1.00 . A A . 35 THR CG2 1 1 5 2781 1 1 35 THR H H 3.797 14.513 1.085 1.00 . A A . 35 THR H 1 1 5 2782 1 1 35 THR HA H 2.171 16.352 2.439 1.00 . A A . 35 THR HA 1 1 5 2783 1 1 35 THR HB H 3.640 15.981 4.332 1.00 . A A . 35 THR HB 1 1 5 2784 1 1 35 THR HG1 H 4.904 18.261 3.701 1.00 . A A . 35 THR HG1 1 1 5 2785 1 1 35 THR HG21 H 5.551 15.007 3.162 1.00 . A A . 35 THR HG21 1 1 5 2786 1 1 35 THR HG22 H 6.058 16.328 4.215 1.00 . A A . 35 THR HG22 1 1 5 2787 1 1 35 THR HG23 H 5.936 16.585 2.472 1.00 . A A . 35 THR HG23 1 1 5 2788 1 1 35 THR N N 3.305 14.742 1.905 1.00 . A A . 35 THR N 1 1 5 2789 1 1 35 THR O O 3.837 16.395 -0.067 1.00 . A A . 35 THR O 1 1 5 2790 1 1 35 THR OG1 O 4.006 17.906 3.759 1.00 . A A . 35 THR OG1 1 1 6 2791 1 1 1 ASP C C 6.702 -10.394 0.571 1.00 . A A . 1 ASP C 1 1 6 2792 1 1 1 ASP CA C 7.367 -11.747 0.666 1.00 . A A . 1 ASP CA 1 1 6 2793 1 1 1 ASP CB C 8.106 -12.078 -0.640 1.00 . A A . 1 ASP CB 1 1 6 2794 1 1 1 ASP CG C 7.175 -12.229 -1.814 1.00 . A A . 1 ASP CG 1 1 6 2795 1 1 1 ASP H1 H 6.787 -13.705 1.090 1.00 . A A . 1 ASP H1 1 1 6 2796 1 1 1 ASP H2 H 5.684 -12.812 0.176 1.00 . A A . 1 ASP H2 1 1 6 2797 1 1 1 ASP H3 H 5.830 -12.505 1.821 1.00 . A A . 1 ASP H3 1 1 6 2798 1 1 1 ASP HA H 8.071 -11.728 1.485 1.00 . A A . 1 ASP HA 1 1 6 2799 1 1 1 ASP HB2 H 8.802 -11.284 -0.864 1.00 . A A . 1 ASP HB2 1 1 6 2800 1 1 1 ASP HB3 H 8.652 -13.002 -0.514 1.00 . A A . 1 ASP HB3 1 1 6 2801 1 1 1 ASP N N 6.360 -12.767 0.968 1.00 . A A . 1 ASP N 1 1 6 2802 1 1 1 ASP O O 5.487 -10.308 0.384 1.00 . A A . 1 ASP O 1 1 6 2803 1 1 1 ASP OD1 O 7.124 -11.340 -2.678 1.00 . A A . 1 ASP OD1 1 1 6 2804 1 1 1 ASP OD2 O 6.476 -13.244 -1.883 1.00 . A A . 1 ASP OD2 1 1 6 2805 1 1 2 CYS C C 6.885 -7.428 -0.682 1.00 . A A . 2 CYS C 1 1 6 2806 1 1 2 CYS CA C 6.973 -8.000 0.707 1.00 . A A . 2 CYS CA 1 1 6 2807 1 1 2 CYS CB C 7.861 -7.122 1.563 1.00 . A A . 2 CYS CB 1 1 6 2808 1 1 2 CYS H H 8.446 -9.458 0.826 1.00 . A A . 2 CYS H 1 1 6 2809 1 1 2 CYS HA H 5.982 -7.966 1.132 1.00 . A A . 2 CYS HA 1 1 6 2810 1 1 2 CYS HB2 H 7.547 -6.101 1.406 1.00 . A A . 2 CYS HB2 1 1 6 2811 1 1 2 CYS HB3 H 7.734 -7.370 2.601 1.00 . A A . 2 CYS HB3 1 1 6 2812 1 1 2 CYS N N 7.477 -9.348 0.714 1.00 . A A . 2 CYS N 1 1 6 2813 1 1 2 CYS O O 7.381 -8.009 -1.664 1.00 . A A . 2 CYS O 1 1 6 2814 1 1 2 CYS SG S 9.628 -7.208 1.133 1.00 . A A . 2 CYS SG 1 1 6 2815 1 1 3 ARG C C 7.174 -4.545 -2.088 1.00 . A A . 3 ARG C 1 1 6 2816 1 1 3 ARG CA C 6.106 -5.591 -1.994 1.00 . A A . 3 ARG CA 1 1 6 2817 1 1 3 ARG CB C 4.719 -4.953 -2.142 1.00 . A A . 3 ARG CB 1 1 6 2818 1 1 3 ARG CD C 3.439 -7.147 -2.235 1.00 . A A . 3 ARG CD 1 1 6 2819 1 1 3 ARG CG C 3.696 -5.804 -2.886 1.00 . A A . 3 ARG CG 1 1 6 2820 1 1 3 ARG CZ C 1.839 -7.882 -0.484 1.00 . A A . 3 ARG CZ 1 1 6 2821 1 1 3 ARG H H 5.833 -5.949 0.054 1.00 . A A . 3 ARG H 1 1 6 2822 1 1 3 ARG HA H 6.247 -6.298 -2.798 1.00 . A A . 3 ARG HA 1 1 6 2823 1 1 3 ARG HB2 H 4.331 -4.753 -1.154 1.00 . A A . 3 ARG HB2 1 1 6 2824 1 1 3 ARG HB3 H 4.827 -4.014 -2.664 1.00 . A A . 3 ARG HB3 1 1 6 2825 1 1 3 ARG HD2 H 2.800 -7.721 -2.886 1.00 . A A . 3 ARG HD2 1 1 6 2826 1 1 3 ARG HD3 H 4.384 -7.657 -2.127 1.00 . A A . 3 ARG HD3 1 1 6 2827 1 1 3 ARG HE H 3.164 -6.336 -0.337 1.00 . A A . 3 ARG HE 1 1 6 2828 1 1 3 ARG HG2 H 2.762 -5.265 -2.926 1.00 . A A . 3 ARG HG2 1 1 6 2829 1 1 3 ARG HG3 H 4.052 -5.963 -3.894 1.00 . A A . 3 ARG HG3 1 1 6 2830 1 1 3 ARG HH11 H 1.567 -8.865 -2.284 1.00 . A A . 3 ARG HH11 1 1 6 2831 1 1 3 ARG HH12 H 0.588 -9.421 -1.019 1.00 . A A . 3 ARG HH12 1 1 6 2832 1 1 3 ARG HH21 H 1.739 -7.150 1.445 1.00 . A A . 3 ARG HH21 1 1 6 2833 1 1 3 ARG HH22 H 0.686 -8.432 1.105 1.00 . A A . 3 ARG HH22 1 1 6 2834 1 1 3 ARG N N 6.235 -6.316 -0.767 1.00 . A A . 3 ARG N 1 1 6 2835 1 1 3 ARG NE N 2.803 -7.045 -0.917 1.00 . A A . 3 ARG NE 1 1 6 2836 1 1 3 ARG NH1 N 1.298 -8.775 -1.319 1.00 . A A . 3 ARG NH1 1 1 6 2837 1 1 3 ARG NH2 N 1.396 -7.806 0.771 1.00 . A A . 3 ARG NH2 1 1 6 2838 1 1 3 ARG O O 7.441 -3.810 -1.120 1.00 . A A . 3 ARG O 1 1 6 2839 1 1 4 TYR C C 8.085 -2.389 -4.218 1.00 . A A . 4 TYR C 1 1 6 2840 1 1 4 TYR CA C 8.777 -3.549 -3.515 1.00 . A A . 4 TYR CA 1 1 6 2841 1 1 4 TYR CB C 9.838 -4.172 -4.395 1.00 . A A . 4 TYR CB 1 1 6 2842 1 1 4 TYR CD1 C 10.587 -6.539 -3.983 1.00 . A A . 4 TYR CD1 1 1 6 2843 1 1 4 TYR CD2 C 11.700 -4.799 -2.799 1.00 . A A . 4 TYR CD2 1 1 6 2844 1 1 4 TYR CE1 C 11.398 -7.470 -3.375 1.00 . A A . 4 TYR CE1 1 1 6 2845 1 1 4 TYR CE2 C 12.513 -5.730 -2.185 1.00 . A A . 4 TYR CE2 1 1 6 2846 1 1 4 TYR CG C 10.720 -5.190 -3.710 1.00 . A A . 4 TYR CG 1 1 6 2847 1 1 4 TYR CZ C 12.359 -7.064 -2.481 1.00 . A A . 4 TYR CZ 1 1 6 2848 1 1 4 TYR H H 7.628 -5.152 -3.930 1.00 . A A . 4 TYR H 1 1 6 2849 1 1 4 TYR HA H 9.229 -3.206 -2.597 1.00 . A A . 4 TYR HA 1 1 6 2850 1 1 4 TYR HB2 H 9.346 -4.669 -5.216 1.00 . A A . 4 TYR HB2 1 1 6 2851 1 1 4 TYR HB3 H 10.451 -3.389 -4.789 1.00 . A A . 4 TYR HB3 1 1 6 2852 1 1 4 TYR HD1 H 9.834 -6.861 -4.686 1.00 . A A . 4 TYR HD1 1 1 6 2853 1 1 4 TYR HD2 H 11.822 -3.753 -2.555 1.00 . A A . 4 TYR HD2 1 1 6 2854 1 1 4 TYR HE1 H 11.276 -8.517 -3.606 1.00 . A A . 4 TYR HE1 1 1 6 2855 1 1 4 TYR HE2 H 13.267 -5.408 -1.481 1.00 . A A . 4 TYR HE2 1 1 6 2856 1 1 4 TYR HH H 13.542 -8.539 -2.590 1.00 . A A . 4 TYR HH 1 1 6 2857 1 1 4 TYR N N 7.809 -4.512 -3.213 1.00 . A A . 4 TYR N 1 1 6 2858 1 1 4 TYR O O 6.854 -2.275 -4.155 1.00 . A A . 4 TYR O 1 1 6 2859 1 1 4 TYR OH O 13.170 -8.006 -1.871 1.00 . A A . 4 TYR OH 1 1 6 2860 1 1 5 MET C C 7.257 -0.723 -6.552 1.00 . A A . 5 MET C 1 1 6 2861 1 1 5 MET CA C 8.284 -0.353 -5.498 1.00 . A A . 5 MET CA 1 1 6 2862 1 1 5 MET CB C 9.385 0.501 -6.106 1.00 . A A . 5 MET CB 1 1 6 2863 1 1 5 MET CE C 9.696 4.541 -6.715 1.00 . A A . 5 MET CE 1 1 6 2864 1 1 5 MET CG C 8.988 1.938 -6.309 1.00 . A A . 5 MET CG 1 1 6 2865 1 1 5 MET H H 9.799 -1.728 -4.990 1.00 . A A . 5 MET H 1 1 6 2866 1 1 5 MET HA H 7.770 0.221 -4.740 1.00 . A A . 5 MET HA 1 1 6 2867 1 1 5 MET HB2 H 10.251 0.488 -5.462 1.00 . A A . 5 MET HB2 1 1 6 2868 1 1 5 MET HB3 H 9.664 0.086 -7.062 1.00 . A A . 5 MET HB3 1 1 6 2869 1 1 5 MET HE1 H 9.714 4.646 -5.638 1.00 . A A . 5 MET HE1 1 1 6 2870 1 1 5 MET HE2 H 8.690 4.679 -7.082 1.00 . A A . 5 MET HE2 1 1 6 2871 1 1 5 MET HE3 H 10.362 5.268 -7.153 1.00 . A A . 5 MET HE3 1 1 6 2872 1 1 5 MET HG2 H 8.102 1.971 -6.925 1.00 . A A . 5 MET HG2 1 1 6 2873 1 1 5 MET HG3 H 8.772 2.374 -5.345 1.00 . A A . 5 MET HG3 1 1 6 2874 1 1 5 MET N N 8.839 -1.548 -4.884 1.00 . A A . 5 MET N 1 1 6 2875 1 1 5 MET O O 7.442 -1.688 -7.293 1.00 . A A . 5 MET O 1 1 6 2876 1 1 5 MET SD S 10.271 2.899 -7.099 1.00 . A A . 5 MET SD 1 1 6 2877 1 1 6 PHE C C 4.132 -1.362 -7.072 1.00 . A A . 6 PHE C 1 1 6 2878 1 1 6 PHE CA C 4.999 -0.174 -7.480 1.00 . A A . 6 PHE CA 1 1 6 2879 1 1 6 PHE CB C 5.416 -0.278 -8.966 1.00 . A A . 6 PHE CB 1 1 6 2880 1 1 6 PHE CD1 C 7.513 0.983 -9.474 1.00 . A A . 6 PHE CD1 1 1 6 2881 1 1 6 PHE CD2 C 5.429 2.020 -9.965 1.00 . A A . 6 PHE CD2 1 1 6 2882 1 1 6 PHE CE1 C 8.185 2.086 -9.933 1.00 . A A . 6 PHE CE1 1 1 6 2883 1 1 6 PHE CE2 C 6.096 3.135 -10.433 1.00 . A A . 6 PHE CE2 1 1 6 2884 1 1 6 PHE CG C 6.133 0.933 -9.483 1.00 . A A . 6 PHE CG 1 1 6 2885 1 1 6 PHE CZ C 7.478 3.169 -10.417 1.00 . A A . 6 PHE CZ 1 1 6 2886 1 1 6 PHE H H 6.084 0.733 -5.883 1.00 . A A . 6 PHE H 1 1 6 2887 1 1 6 PHE HA H 4.385 0.706 -7.354 1.00 . A A . 6 PHE HA 1 1 6 2888 1 1 6 PHE HB2 H 6.073 -1.126 -9.087 1.00 . A A . 6 PHE HB2 1 1 6 2889 1 1 6 PHE HB3 H 4.532 -0.430 -9.569 1.00 . A A . 6 PHE HB3 1 1 6 2890 1 1 6 PHE HD1 H 8.068 0.137 -9.098 1.00 . A A . 6 PHE HD1 1 1 6 2891 1 1 6 PHE HD2 H 4.350 1.987 -9.972 1.00 . A A . 6 PHE HD2 1 1 6 2892 1 1 6 PHE HE1 H 9.264 2.088 -9.900 1.00 . A A . 6 PHE HE1 1 1 6 2893 1 1 6 PHE HE2 H 5.538 3.977 -10.811 1.00 . A A . 6 PHE HE2 1 1 6 2894 1 1 6 PHE HZ H 8.004 4.040 -10.779 1.00 . A A . 6 PHE HZ 1 1 6 2895 1 1 6 PHE N N 6.145 0.018 -6.556 1.00 . A A . 6 PHE N 1 1 6 2896 1 1 6 PHE O O 3.070 -1.612 -7.672 1.00 . A A . 6 PHE O 1 1 6 2897 1 1 7 GLY C C 2.649 -2.650 -4.746 1.00 . A A . 7 GLY C 1 1 6 2898 1 1 7 GLY CA C 3.811 -3.180 -5.531 1.00 . A A . 7 GLY CA 1 1 6 2899 1 1 7 GLY H H 5.439 -1.875 -5.638 1.00 . A A . 7 GLY H 1 1 6 2900 1 1 7 GLY HA2 H 3.453 -3.792 -6.345 1.00 . A A . 7 GLY HA2 1 1 6 2901 1 1 7 GLY HA3 H 4.433 -3.773 -4.878 1.00 . A A . 7 GLY HA3 1 1 6 2902 1 1 7 GLY N N 4.575 -2.084 -6.055 1.00 . A A . 7 GLY N 1 1 6 2903 1 1 7 GLY O O 2.766 -1.591 -4.130 1.00 . A A . 7 GLY O 1 1 6 2904 1 1 8 ASP C C 0.438 -3.025 -2.639 1.00 . A A . 8 ASP C 1 1 6 2905 1 1 8 ASP CA C 0.325 -2.898 -4.114 1.00 . A A . 8 ASP CA 1 1 6 2906 1 1 8 ASP CB C -0.872 -3.680 -4.602 1.00 . A A . 8 ASP CB 1 1 6 2907 1 1 8 ASP CG C -2.210 -3.208 -4.045 1.00 . A A . 8 ASP CG 1 1 6 2908 1 1 8 ASP H H 1.532 -4.218 -5.239 1.00 . A A . 8 ASP H 1 1 6 2909 1 1 8 ASP HA H 0.179 -1.858 -4.363 1.00 . A A . 8 ASP HA 1 1 6 2910 1 1 8 ASP HB2 H -0.871 -3.481 -5.656 1.00 . A A . 8 ASP HB2 1 1 6 2911 1 1 8 ASP HB3 H -0.738 -4.735 -4.418 1.00 . A A . 8 ASP HB3 1 1 6 2912 1 1 8 ASP N N 1.543 -3.355 -4.775 1.00 . A A . 8 ASP N 1 1 6 2913 1 1 8 ASP O O 1.045 -3.983 -2.123 1.00 . A A . 8 ASP O 1 1 6 2914 1 1 8 ASP OD1 O -2.619 -3.661 -2.961 1.00 . A A . 8 ASP OD1 1 1 6 2915 1 1 8 ASP OD2 O -2.888 -2.397 -4.714 1.00 . A A . 8 ASP OD2 1 1 6 2916 1 1 9 CYS C C -1.292 -1.414 0.034 1.00 . A A . 9 CYS C 1 1 6 2917 1 1 9 CYS CA C -0.086 -2.109 -0.548 1.00 . A A . 9 CYS CA 1 1 6 2918 1 1 9 CYS CB C 1.181 -1.394 -0.141 1.00 . A A . 9 CYS CB 1 1 6 2919 1 1 9 CYS H H -0.653 -1.402 -2.410 1.00 . A A . 9 CYS H 1 1 6 2920 1 1 9 CYS HA H -0.025 -3.131 -0.204 1.00 . A A . 9 CYS HA 1 1 6 2921 1 1 9 CYS HB2 H 1.364 -1.486 0.918 1.00 . A A . 9 CYS HB2 1 1 6 2922 1 1 9 CYS HB3 H 1.948 -1.899 -0.713 1.00 . A A . 9 CYS HB3 1 1 6 2923 1 1 9 CYS N N -0.152 -2.114 -1.956 1.00 . A A . 9 CYS N 1 1 6 2924 1 1 9 CYS O O -1.914 -0.563 -0.625 1.00 . A A . 9 CYS O 1 1 6 2925 1 1 9 CYS SG S 1.230 0.371 -0.626 1.00 . A A . 9 CYS SG 1 1 6 2926 1 1 10 GLU C C -2.075 -0.460 3.167 1.00 . A A . 10 GLU C 1 1 6 2927 1 1 10 GLU CA C -2.689 -1.135 1.966 1.00 . A A . 10 GLU CA 1 1 6 2928 1 1 10 GLU CB C -3.770 -2.122 2.373 1.00 . A A . 10 GLU CB 1 1 6 2929 1 1 10 GLU CD C -5.553 -1.283 0.842 1.00 . A A . 10 GLU CD 1 1 6 2930 1 1 10 GLU CG C -4.728 -2.476 1.255 1.00 . A A . 10 GLU CG 1 1 6 2931 1 1 10 GLU H H -1.190 -2.553 1.659 1.00 . A A . 10 GLU H 1 1 6 2932 1 1 10 GLU HA H -3.115 -0.380 1.323 1.00 . A A . 10 GLU HA 1 1 6 2933 1 1 10 GLU HB2 H -3.294 -3.032 2.708 1.00 . A A . 10 GLU HB2 1 1 6 2934 1 1 10 GLU HB3 H -4.339 -1.700 3.187 1.00 . A A . 10 GLU HB3 1 1 6 2935 1 1 10 GLU HG2 H -4.160 -2.818 0.403 1.00 . A A . 10 GLU HG2 1 1 6 2936 1 1 10 GLU HG3 H -5.391 -3.258 1.590 1.00 . A A . 10 GLU HG3 1 1 6 2937 1 1 10 GLU N N -1.648 -1.793 1.227 1.00 . A A . 10 GLU N 1 1 6 2938 1 1 10 GLU O O -2.513 0.609 3.598 1.00 . A A . 10 GLU O 1 1 6 2939 1 1 10 GLU OE1 O -6.504 -0.935 1.571 1.00 . A A . 10 GLU OE1 1 1 6 2940 1 1 10 GLU OE2 O -5.278 -0.666 -0.213 1.00 . A A . 10 GLU OE2 1 1 6 2941 1 1 11 LYS C C 1.167 -0.653 4.411 1.00 . A A . 11 LYS C 1 1 6 2942 1 1 11 LYS CA C -0.291 -0.565 4.767 1.00 . A A . 11 LYS CA 1 1 6 2943 1 1 11 LYS CB C -0.606 -1.339 6.055 1.00 . A A . 11 LYS CB 1 1 6 2944 1 1 11 LYS CD C -1.053 -3.573 7.131 1.00 . A A . 11 LYS CD 1 1 6 2945 1 1 11 LYS CE C -0.957 -5.089 6.965 1.00 . A A . 11 LYS CE 1 1 6 2946 1 1 11 LYS CG C -0.508 -2.848 5.917 1.00 . A A . 11 LYS CG 1 1 6 2947 1 1 11 LYS H H -0.734 -1.944 3.319 1.00 . A A . 11 LYS H 1 1 6 2948 1 1 11 LYS HA H -0.563 0.472 4.897 1.00 . A A . 11 LYS HA 1 1 6 2949 1 1 11 LYS HB2 H 0.111 -1.031 6.801 1.00 . A A . 11 LYS HB2 1 1 6 2950 1 1 11 LYS HB3 H -1.592 -1.070 6.393 1.00 . A A . 11 LYS HB3 1 1 6 2951 1 1 11 LYS HD2 H -0.483 -3.278 8.000 1.00 . A A . 11 LYS HD2 1 1 6 2952 1 1 11 LYS HD3 H -2.089 -3.298 7.268 1.00 . A A . 11 LYS HD3 1 1 6 2953 1 1 11 LYS HE2 H 0.084 -5.365 6.901 1.00 . A A . 11 LYS HE2 1 1 6 2954 1 1 11 LYS HE3 H -1.393 -5.556 7.836 1.00 . A A . 11 LYS HE3 1 1 6 2955 1 1 11 LYS HG2 H -1.075 -3.153 5.050 1.00 . A A . 11 LYS HG2 1 1 6 2956 1 1 11 LYS HG3 H 0.528 -3.116 5.775 1.00 . A A . 11 LYS HG3 1 1 6 2957 1 1 11 LYS HZ1 H -1.634 -6.624 5.753 1.00 . A A . 11 LYS HZ1 1 1 6 2958 1 1 11 LYS HZ2 H -1.192 -5.285 4.865 1.00 . A A . 11 LYS HZ2 1 1 6 2959 1 1 11 LYS HZ3 H -2.656 -5.301 5.736 1.00 . A A . 11 LYS HZ3 1 1 6 2960 1 1 11 LYS N N -1.043 -1.078 3.681 1.00 . A A . 11 LYS N 1 1 6 2961 1 1 11 LYS NZ N -1.655 -5.586 5.751 1.00 . A A . 11 LYS NZ 1 1 6 2962 1 1 11 LYS O O 1.543 -1.383 3.495 1.00 . A A . 11 LYS O 1 1 6 2963 1 1 12 ASP C C 4.102 -1.216 5.116 1.00 . A A . 12 ASP C 1 1 6 2964 1 1 12 ASP CA C 3.447 0.104 4.852 1.00 . A A . 12 ASP CA 1 1 6 2965 1 1 12 ASP CB C 4.148 1.169 5.687 1.00 . A A . 12 ASP CB 1 1 6 2966 1 1 12 ASP CG C 3.502 2.510 5.592 1.00 . A A . 12 ASP CG 1 1 6 2967 1 1 12 ASP H H 1.598 0.516 5.911 1.00 . A A . 12 ASP H 1 1 6 2968 1 1 12 ASP HA H 3.564 0.343 3.806 1.00 . A A . 12 ASP HA 1 1 6 2969 1 1 12 ASP HB2 H 4.147 0.859 6.720 1.00 . A A . 12 ASP HB2 1 1 6 2970 1 1 12 ASP HB3 H 5.171 1.255 5.351 1.00 . A A . 12 ASP HB3 1 1 6 2971 1 1 12 ASP N N 1.993 0.032 5.152 1.00 . A A . 12 ASP N 1 1 6 2972 1 1 12 ASP O O 5.195 -1.497 4.637 1.00 . A A . 12 ASP O 1 1 6 2973 1 1 12 ASP OD1 O 2.760 2.874 6.534 1.00 . A A . 12 ASP OD1 1 1 6 2974 1 1 12 ASP OD2 O 3.685 3.198 4.597 1.00 . A A . 12 ASP OD2 1 1 6 2975 1 1 13 GLU C C 3.875 -4.276 5.091 1.00 . A A . 13 GLU C 1 1 6 2976 1 1 13 GLU CA C 3.865 -3.331 6.262 1.00 . A A . 13 GLU CA 1 1 6 2977 1 1 13 GLU CB C 2.944 -3.879 7.314 1.00 . A A . 13 GLU CB 1 1 6 2978 1 1 13 GLU CD C 3.930 -2.333 9.089 1.00 . A A . 13 GLU CD 1 1 6 2979 1 1 13 GLU CG C 2.668 -2.900 8.459 1.00 . A A . 13 GLU CG 1 1 6 2980 1 1 13 GLU H H 2.494 -1.744 6.097 1.00 . A A . 13 GLU H 1 1 6 2981 1 1 13 GLU HA H 4.852 -3.233 6.681 1.00 . A A . 13 GLU HA 1 1 6 2982 1 1 13 GLU HB2 H 2.028 -4.131 6.796 1.00 . A A . 13 GLU HB2 1 1 6 2983 1 1 13 GLU HB3 H 3.372 -4.789 7.709 1.00 . A A . 13 GLU HB3 1 1 6 2984 1 1 13 GLU HG2 H 2.083 -2.078 8.074 1.00 . A A . 13 GLU HG2 1 1 6 2985 1 1 13 GLU HG3 H 2.100 -3.416 9.218 1.00 . A A . 13 GLU HG3 1 1 6 2986 1 1 13 GLU N N 3.394 -2.039 5.846 1.00 . A A . 13 GLU N 1 1 6 2987 1 1 13 GLU O O 4.625 -5.252 5.067 1.00 . A A . 13 GLU O 1 1 6 2988 1 1 13 GLU OE1 O 4.195 -1.109 8.946 1.00 . A A . 13 GLU OE1 1 1 6 2989 1 1 13 GLU OE2 O 4.692 -3.097 9.722 1.00 . A A . 13 GLU OE2 1 1 6 2990 1 1 14 ASP C C 4.132 -4.572 2.034 1.00 . A A . 14 ASP C 1 1 6 2991 1 1 14 ASP CA C 2.934 -4.807 2.932 1.00 . A A . 14 ASP CA 1 1 6 2992 1 1 14 ASP CB C 1.646 -4.538 2.138 1.00 . A A . 14 ASP CB 1 1 6 2993 1 1 14 ASP CG C 0.365 -4.604 2.943 1.00 . A A . 14 ASP CG 1 1 6 2994 1 1 14 ASP H H 2.510 -3.148 4.151 1.00 . A A . 14 ASP H 1 1 6 2995 1 1 14 ASP HA H 2.944 -5.836 3.259 1.00 . A A . 14 ASP HA 1 1 6 2996 1 1 14 ASP HB2 H 1.696 -3.580 1.646 1.00 . A A . 14 ASP HB2 1 1 6 2997 1 1 14 ASP HB3 H 1.604 -5.320 1.401 1.00 . A A . 14 ASP HB3 1 1 6 2998 1 1 14 ASP N N 3.047 -3.968 4.102 1.00 . A A . 14 ASP N 1 1 6 2999 1 1 14 ASP O O 4.421 -5.368 1.132 1.00 . A A . 14 ASP O 1 1 6 3000 1 1 14 ASP OD1 O -0.389 -3.623 2.932 1.00 . A A . 14 ASP OD1 1 1 6 3001 1 1 14 ASP OD2 O 0.108 -5.635 3.620 1.00 . A A . 14 ASP OD2 1 1 6 3002 1 1 15 CYS C C 7.197 -3.516 2.368 1.00 . A A . 15 CYS C 1 1 6 3003 1 1 15 CYS CA C 5.995 -3.118 1.565 1.00 . A A . 15 CYS CA 1 1 6 3004 1 1 15 CYS CB C 6.048 -1.617 1.343 1.00 . A A . 15 CYS CB 1 1 6 3005 1 1 15 CYS H H 4.529 -2.894 3.018 1.00 . A A . 15 CYS H 1 1 6 3006 1 1 15 CYS HA H 5.999 -3.618 0.608 1.00 . A A . 15 CYS HA 1 1 6 3007 1 1 15 CYS HB2 H 6.280 -1.121 2.272 1.00 . A A . 15 CYS HB2 1 1 6 3008 1 1 15 CYS HB3 H 6.851 -1.413 0.649 1.00 . A A . 15 CYS HB3 1 1 6 3009 1 1 15 CYS N N 4.816 -3.481 2.289 1.00 . A A . 15 CYS N 1 1 6 3010 1 1 15 CYS O O 7.115 -3.693 3.594 1.00 . A A . 15 CYS O 1 1 6 3011 1 1 15 CYS SG S 4.533 -0.928 0.641 1.00 . A A . 15 CYS SG 1 1 6 3012 1 1 16 CYS C C 10.063 -2.859 3.182 1.00 . A A . 16 CYS C 1 1 6 3013 1 1 16 CYS CA C 9.551 -4.009 2.287 1.00 . A A . 16 CYS CA 1 1 6 3014 1 1 16 CYS CB C 10.538 -4.314 1.190 1.00 . A A . 16 CYS CB 1 1 6 3015 1 1 16 CYS H H 8.233 -3.663 0.709 1.00 . A A . 16 CYS H 1 1 6 3016 1 1 16 CYS HA H 9.425 -4.896 2.891 1.00 . A A . 16 CYS HA 1 1 6 3017 1 1 16 CYS HB2 H 10.797 -3.400 0.686 1.00 . A A . 16 CYS HB2 1 1 6 3018 1 1 16 CYS HB3 H 11.438 -4.704 1.630 1.00 . A A . 16 CYS HB3 1 1 6 3019 1 1 16 CYS N N 8.284 -3.695 1.688 1.00 . A A . 16 CYS N 1 1 6 3020 1 1 16 CYS O O 9.513 -1.750 3.181 1.00 . A A . 16 CYS O 1 1 6 3021 1 1 16 CYS SG S 9.938 -5.559 0.003 1.00 . A A . 16 CYS SG 1 1 6 3022 1 1 17 LYS C C 12.109 -0.898 4.404 1.00 . A A . 17 LYS C 1 1 6 3023 1 1 17 LYS CA C 11.726 -2.249 4.914 1.00 . A A . 17 LYS CA 1 1 6 3024 1 1 17 LYS CB C 12.953 -2.915 5.487 1.00 . A A . 17 LYS CB 1 1 6 3025 1 1 17 LYS CD C 13.852 -4.948 6.595 1.00 . A A . 17 LYS CD 1 1 6 3026 1 1 17 LYS CE C 13.480 -6.308 7.142 1.00 . A A . 17 LYS CE 1 1 6 3027 1 1 17 LYS CG C 12.629 -4.223 6.088 1.00 . A A . 17 LYS CG 1 1 6 3028 1 1 17 LYS H H 11.624 -3.952 3.619 1.00 . A A . 17 LYS H 1 1 6 3029 1 1 17 LYS HA H 11.007 -2.142 5.711 1.00 . A A . 17 LYS HA 1 1 6 3030 1 1 17 LYS HB2 H 13.675 -3.063 4.697 1.00 . A A . 17 LYS HB2 1 1 6 3031 1 1 17 LYS HB3 H 13.382 -2.281 6.248 1.00 . A A . 17 LYS HB3 1 1 6 3032 1 1 17 LYS HD2 H 14.542 -5.081 5.776 1.00 . A A . 17 LYS HD2 1 1 6 3033 1 1 17 LYS HD3 H 14.314 -4.366 7.378 1.00 . A A . 17 LYS HD3 1 1 6 3034 1 1 17 LYS HE2 H 14.382 -6.814 7.452 1.00 . A A . 17 LYS HE2 1 1 6 3035 1 1 17 LYS HE3 H 12.834 -6.178 7.997 1.00 . A A . 17 LYS HE3 1 1 6 3036 1 1 17 LYS HG2 H 11.964 -3.957 6.887 1.00 . A A . 17 LYS HG2 1 1 6 3037 1 1 17 LYS HG3 H 12.091 -4.823 5.369 1.00 . A A . 17 LYS HG3 1 1 6 3038 1 1 17 LYS HZ1 H 11.909 -6.682 5.802 1.00 . A A . 17 LYS HZ1 1 1 6 3039 1 1 17 LYS HZ2 H 12.504 -8.049 6.535 1.00 . A A . 17 LYS HZ2 1 1 6 3040 1 1 17 LYS HZ3 H 13.394 -7.300 5.296 1.00 . A A . 17 LYS HZ3 1 1 6 3041 1 1 17 LYS N N 11.154 -3.125 3.863 1.00 . A A . 17 LYS N 1 1 6 3042 1 1 17 LYS NZ N 12.787 -7.137 6.124 1.00 . A A . 17 LYS NZ 1 1 6 3043 1 1 17 LYS O O 11.715 0.136 4.952 1.00 . A A . 17 LYS O 1 1 6 3044 1 1 18 HIS C C 12.321 1.103 2.000 1.00 . A A . 18 HIS C 1 1 6 3045 1 1 18 HIS CA C 13.391 0.295 2.724 1.00 . A A . 18 HIS CA 1 1 6 3046 1 1 18 HIS CB C 14.534 -0.010 1.744 1.00 . A A . 18 HIS CB 1 1 6 3047 1 1 18 HIS CD2 C 16.663 0.060 3.210 1.00 . A A . 18 HIS CD2 1 1 6 3048 1 1 18 HIS CE1 C 17.452 -1.911 2.785 1.00 . A A . 18 HIS CE1 1 1 6 3049 1 1 18 HIS CG C 15.787 -0.542 2.373 1.00 . A A . 18 HIS CG 1 1 6 3050 1 1 18 HIS H H 13.079 -1.832 3.054 1.00 . A A . 18 HIS H 1 1 6 3051 1 1 18 HIS HA H 13.791 0.911 3.515 1.00 . A A . 18 HIS HA 1 1 6 3052 1 1 18 HIS HB2 H 14.201 -0.722 1.002 1.00 . A A . 18 HIS HB2 1 1 6 3053 1 1 18 HIS HB3 H 14.786 0.908 1.236 1.00 . A A . 18 HIS HB3 1 1 6 3054 1 1 18 HIS HD1 H 15.904 -2.475 1.540 1.00 . A A . 18 HIS HD1 1 1 6 3055 1 1 18 HIS HD2 H 16.567 1.056 3.618 1.00 . A A . 18 HIS HD2 1 1 6 3056 1 1 18 HIS HE1 H 18.080 -2.790 2.768 1.00 . A A . 18 HIS HE1 1 1 6 3057 1 1 18 HIS N N 12.867 -0.922 3.361 1.00 . A A . 18 HIS N 1 1 6 3058 1 1 18 HIS ND1 N 16.306 -1.791 2.117 1.00 . A A . 18 HIS ND1 1 1 6 3059 1 1 18 HIS NE2 N 17.720 -0.810 3.469 1.00 . A A . 18 HIS NE2 1 1 6 3060 1 1 18 HIS O O 12.620 2.147 1.411 1.00 . A A . 18 HIS O 1 1 6 3061 1 1 19 LEU C C 8.926 1.802 2.283 1.00 . A A . 19 LEU C 1 1 6 3062 1 1 19 LEU CA C 10.042 1.348 1.361 1.00 . A A . 19 LEU CA 1 1 6 3063 1 1 19 LEU CB C 9.477 0.499 0.211 1.00 . A A . 19 LEU CB 1 1 6 3064 1 1 19 LEU CD1 C 11.262 -0.994 -0.800 1.00 . A A . 19 LEU CD1 1 1 6 3065 1 1 19 LEU CD2 C 9.642 0.218 -2.262 1.00 . A A . 19 LEU CD2 1 1 6 3066 1 1 19 LEU CG C 10.414 0.252 -0.976 1.00 . A A . 19 LEU CG 1 1 6 3067 1 1 19 LEU H H 10.867 -0.102 2.622 1.00 . A A . 19 LEU H 1 1 6 3068 1 1 19 LEU HA H 10.476 2.238 0.930 1.00 . A A . 19 LEU HA 1 1 6 3069 1 1 19 LEU HB2 H 9.207 -0.461 0.623 1.00 . A A . 19 LEU HB2 1 1 6 3070 1 1 19 LEU HB3 H 8.577 0.971 -0.153 1.00 . A A . 19 LEU HB3 1 1 6 3071 1 1 19 LEU HD11 H 10.614 -1.853 -0.718 1.00 . A A . 19 LEU HD11 1 1 6 3072 1 1 19 LEU HD12 H 11.869 -0.902 0.089 1.00 . A A . 19 LEU HD12 1 1 6 3073 1 1 19 LEU HD13 H 11.897 -1.108 -1.667 1.00 . A A . 19 LEU HD13 1 1 6 3074 1 1 19 LEU HD21 H 9.148 1.169 -2.403 1.00 . A A . 19 LEU HD21 1 1 6 3075 1 1 19 LEU HD22 H 8.905 -0.570 -2.221 1.00 . A A . 19 LEU HD22 1 1 6 3076 1 1 19 LEU HD23 H 10.318 0.040 -3.085 1.00 . A A . 19 LEU HD23 1 1 6 3077 1 1 19 LEU HG H 11.103 1.083 -1.030 1.00 . A A . 19 LEU HG 1 1 6 3078 1 1 19 LEU N N 11.092 0.672 2.061 1.00 . A A . 19 LEU N 1 1 6 3079 1 1 19 LEU O O 8.920 1.509 3.489 1.00 . A A . 19 LEU O 1 1 6 3080 1 1 20 GLY C C 5.685 2.908 1.478 1.00 . A A . 20 GLY C 1 1 6 3081 1 1 20 GLY CA C 6.860 3.025 2.400 1.00 . A A . 20 GLY CA 1 1 6 3082 1 1 20 GLY H H 8.112 2.773 0.761 1.00 . A A . 20 GLY H 1 1 6 3083 1 1 20 GLY HA2 H 6.695 2.442 3.294 1.00 . A A . 20 GLY HA2 1 1 6 3084 1 1 20 GLY HA3 H 7.002 4.065 2.654 1.00 . A A . 20 GLY HA3 1 1 6 3085 1 1 20 GLY N N 8.018 2.542 1.715 1.00 . A A . 20 GLY N 1 1 6 3086 1 1 20 GLY O O 5.870 2.879 0.258 1.00 . A A . 20 GLY O 1 1 6 3087 1 1 21 CYS C C 2.628 3.946 0.960 1.00 . A A . 21 CYS C 1 1 6 3088 1 1 21 CYS CA C 3.345 2.648 1.194 1.00 . A A . 21 CYS CA 1 1 6 3089 1 1 21 CYS CB C 2.404 1.643 1.873 1.00 . A A . 21 CYS CB 1 1 6 3090 1 1 21 CYS H H 4.369 2.978 2.976 1.00 . A A . 21 CYS H 1 1 6 3091 1 1 21 CYS HA H 3.652 2.234 0.246 1.00 . A A . 21 CYS HA 1 1 6 3092 1 1 21 CYS HB2 H 2.888 0.678 1.888 1.00 . A A . 21 CYS HB2 1 1 6 3093 1 1 21 CYS HB3 H 2.223 1.963 2.889 1.00 . A A . 21 CYS HB3 1 1 6 3094 1 1 21 CYS N N 4.513 2.850 2.005 1.00 . A A . 21 CYS N 1 1 6 3095 1 1 21 CYS O O 2.256 4.631 1.907 1.00 . A A . 21 CYS O 1 1 6 3096 1 1 21 CYS SG S 0.781 1.399 1.062 1.00 . A A . 21 CYS SG 1 1 6 3097 1 1 22 LYS C C 0.256 5.007 -0.444 1.00 . A A . 22 LYS C 1 1 6 3098 1 1 22 LYS CA C 1.641 5.448 -0.596 1.00 . A A . 22 LYS CA 1 1 6 3099 1 1 22 LYS CB C 1.832 5.981 -2.000 1.00 . A A . 22 LYS CB 1 1 6 3100 1 1 22 LYS CD C 3.217 7.984 -1.429 1.00 . A A . 22 LYS CD 1 1 6 3101 1 1 22 LYS CE C 4.514 8.720 -1.758 1.00 . A A . 22 LYS CE 1 1 6 3102 1 1 22 LYS CG C 3.122 6.685 -2.219 1.00 . A A . 22 LYS CG 1 1 6 3103 1 1 22 LYS H H 2.872 3.797 -1.020 1.00 . A A . 22 LYS H 1 1 6 3104 1 1 22 LYS HA H 1.847 6.224 0.125 1.00 . A A . 22 LYS HA 1 1 6 3105 1 1 22 LYS HB2 H 1.783 5.148 -2.686 1.00 . A A . 22 LYS HB2 1 1 6 3106 1 1 22 LYS HB3 H 1.024 6.663 -2.223 1.00 . A A . 22 LYS HB3 1 1 6 3107 1 1 22 LYS HD2 H 2.368 8.604 -1.672 1.00 . A A . 22 LYS HD2 1 1 6 3108 1 1 22 LYS HD3 H 3.196 7.750 -0.374 1.00 . A A . 22 LYS HD3 1 1 6 3109 1 1 22 LYS HE2 H 5.348 8.105 -1.454 1.00 . A A . 22 LYS HE2 1 1 6 3110 1 1 22 LYS HE3 H 4.560 8.872 -2.827 1.00 . A A . 22 LYS HE3 1 1 6 3111 1 1 22 LYS HG2 H 3.849 6.001 -1.822 1.00 . A A . 22 LYS HG2 1 1 6 3112 1 1 22 LYS HG3 H 3.252 6.865 -3.274 1.00 . A A . 22 LYS HG3 1 1 6 3113 1 1 22 LYS HZ1 H 3.869 10.686 -1.373 1.00 . A A . 22 LYS HZ1 1 1 6 3114 1 1 22 LYS HZ2 H 5.535 10.468 -1.315 1.00 . A A . 22 LYS HZ2 1 1 6 3115 1 1 22 LYS HZ3 H 4.590 9.931 -0.043 1.00 . A A . 22 LYS HZ3 1 1 6 3116 1 1 22 LYS N N 2.465 4.322 -0.293 1.00 . A A . 22 LYS N 1 1 6 3117 1 1 22 LYS NZ N 4.621 10.031 -1.078 1.00 . A A . 22 LYS NZ 1 1 6 3118 1 1 22 LYS O O -0.251 4.218 -1.264 1.00 . A A . 22 LYS O 1 1 6 3119 1 1 23 ARG C C -2.671 5.806 -0.027 1.00 . A A . 23 ARG C 1 1 6 3120 1 1 23 ARG CA C -1.698 5.140 0.907 1.00 . A A . 23 ARG CA 1 1 6 3121 1 1 23 ARG CB C -2.031 5.461 2.372 1.00 . A A . 23 ARG CB 1 1 6 3122 1 1 23 ARG CD C 0.080 5.918 3.716 1.00 . A A . 23 ARG CD 1 1 6 3123 1 1 23 ARG CG C -1.034 4.916 3.400 1.00 . A A . 23 ARG CG 1 1 6 3124 1 1 23 ARG CZ C 1.318 6.020 5.880 1.00 . A A . 23 ARG CZ 1 1 6 3125 1 1 23 ARG H H 0.093 6.205 1.091 1.00 . A A . 23 ARG H 1 1 6 3126 1 1 23 ARG HA H -1.759 4.078 0.757 1.00 . A A . 23 ARG HA 1 1 6 3127 1 1 23 ARG HB2 H -2.065 6.535 2.484 1.00 . A A . 23 ARG HB2 1 1 6 3128 1 1 23 ARG HB3 H -3.007 5.057 2.598 1.00 . A A . 23 ARG HB3 1 1 6 3129 1 1 23 ARG HD2 H 0.633 6.123 2.811 1.00 . A A . 23 ARG HD2 1 1 6 3130 1 1 23 ARG HD3 H -0.368 6.831 4.080 1.00 . A A . 23 ARG HD3 1 1 6 3131 1 1 23 ARG HE H 1.433 4.537 4.515 1.00 . A A . 23 ARG HE 1 1 6 3132 1 1 23 ARG HG2 H -1.545 4.654 4.313 1.00 . A A . 23 ARG HG2 1 1 6 3133 1 1 23 ARG HG3 H -0.577 4.035 2.972 1.00 . A A . 23 ARG HG3 1 1 6 3134 1 1 23 ARG HH11 H 0.267 7.750 5.500 1.00 . A A . 23 ARG HH11 1 1 6 3135 1 1 23 ARG HH12 H 1.070 7.716 6.995 1.00 . A A . 23 ARG HH12 1 1 6 3136 1 1 23 ARG HH21 H 2.511 4.513 6.561 1.00 . A A . 23 ARG HH21 1 1 6 3137 1 1 23 ARG HH22 H 2.367 5.837 7.633 1.00 . A A . 23 ARG HH22 1 1 6 3138 1 1 23 ARG N N -0.370 5.519 0.562 1.00 . A A . 23 ARG N 1 1 6 3139 1 1 23 ARG NE N 1.015 5.404 4.728 1.00 . A A . 23 ARG NE 1 1 6 3140 1 1 23 ARG NH1 N 0.851 7.241 6.139 1.00 . A A . 23 ARG NH1 1 1 6 3141 1 1 23 ARG NH2 N 2.118 5.428 6.750 1.00 . A A . 23 ARG NH2 1 1 6 3142 1 1 23 ARG O O -3.843 5.446 -0.095 1.00 . A A . 23 ARG O 1 1 6 3143 1 1 24 LYS C C -2.964 6.731 -3.029 1.00 . A A . 24 LYS C 1 1 6 3144 1 1 24 LYS CA C -2.984 7.466 -1.713 1.00 . A A . 24 LYS CA 1 1 6 3145 1 1 24 LYS CB C -2.465 8.913 -1.878 1.00 . A A . 24 LYS CB 1 1 6 3146 1 1 24 LYS CD C -4.693 9.897 -2.575 1.00 . A A . 24 LYS CD 1 1 6 3147 1 1 24 LYS CE C -5.428 10.697 -3.640 1.00 . A A . 24 LYS CE 1 1 6 3148 1 1 24 LYS CG C -3.216 9.762 -2.909 1.00 . A A . 24 LYS CG 1 1 6 3149 1 1 24 LYS H H -1.191 6.919 -0.725 1.00 . A A . 24 LYS H 1 1 6 3150 1 1 24 LYS HA H -3.993 7.489 -1.330 1.00 . A A . 24 LYS HA 1 1 6 3151 1 1 24 LYS HB2 H -2.535 9.412 -0.922 1.00 . A A . 24 LYS HB2 1 1 6 3152 1 1 24 LYS HB3 H -1.425 8.871 -2.167 1.00 . A A . 24 LYS HB3 1 1 6 3153 1 1 24 LYS HD2 H -5.131 8.911 -2.520 1.00 . A A . 24 LYS HD2 1 1 6 3154 1 1 24 LYS HD3 H -4.798 10.396 -1.622 1.00 . A A . 24 LYS HD3 1 1 6 3155 1 1 24 LYS HE2 H -4.997 11.686 -3.690 1.00 . A A . 24 LYS HE2 1 1 6 3156 1 1 24 LYS HE3 H -5.301 10.211 -4.595 1.00 . A A . 24 LYS HE3 1 1 6 3157 1 1 24 LYS HG2 H -2.778 10.748 -2.937 1.00 . A A . 24 LYS HG2 1 1 6 3158 1 1 24 LYS HG3 H -3.115 9.295 -3.877 1.00 . A A . 24 LYS HG3 1 1 6 3159 1 1 24 LYS HZ1 H -7.316 9.877 -3.288 1.00 . A A . 24 LYS HZ1 1 1 6 3160 1 1 24 LYS HZ2 H -7.359 11.363 -4.081 1.00 . A A . 24 LYS HZ2 1 1 6 3161 1 1 24 LYS HZ3 H -7.031 11.304 -2.439 1.00 . A A . 24 LYS HZ3 1 1 6 3162 1 1 24 LYS N N -2.165 6.749 -0.781 1.00 . A A . 24 LYS N 1 1 6 3163 1 1 24 LYS NZ N -6.871 10.816 -3.345 1.00 . A A . 24 LYS NZ 1 1 6 3164 1 1 24 LYS O O -3.916 6.756 -3.804 1.00 . A A . 24 LYS O 1 1 6 3165 1 1 25 MET C C -1.678 3.906 -4.489 1.00 . A A . 25 MET C 1 1 6 3166 1 1 25 MET CA C -1.651 5.419 -4.520 1.00 . A A . 25 MET CA 1 1 6 3167 1 1 25 MET CB C -0.352 5.925 -5.101 1.00 . A A . 25 MET CB 1 1 6 3168 1 1 25 MET CE C -1.290 6.668 -8.047 1.00 . A A . 25 MET CE 1 1 6 3169 1 1 25 MET CG C -0.384 7.384 -5.511 1.00 . A A . 25 MET CG 1 1 6 3170 1 1 25 MET H H -1.240 5.906 -2.526 1.00 . A A . 25 MET H 1 1 6 3171 1 1 25 MET HA H -2.439 5.750 -5.179 1.00 . A A . 25 MET HA 1 1 6 3172 1 1 25 MET HB2 H 0.423 5.799 -4.360 1.00 . A A . 25 MET HB2 1 1 6 3173 1 1 25 MET HB3 H -0.103 5.326 -5.959 1.00 . A A . 25 MET HB3 1 1 6 3174 1 1 25 MET HE1 H -1.988 6.818 -8.857 1.00 . A A . 25 MET HE1 1 1 6 3175 1 1 25 MET HE2 H -1.337 5.638 -7.725 1.00 . A A . 25 MET HE2 1 1 6 3176 1 1 25 MET HE3 H -0.291 6.897 -8.382 1.00 . A A . 25 MET HE3 1 1 6 3177 1 1 25 MET HG2 H -0.523 7.990 -4.628 1.00 . A A . 25 MET HG2 1 1 6 3178 1 1 25 MET HG3 H 0.558 7.634 -5.976 1.00 . A A . 25 MET HG3 1 1 6 3179 1 1 25 MET N N -1.886 6.036 -3.252 1.00 . A A . 25 MET N 1 1 6 3180 1 1 25 MET O O -1.602 3.280 -5.533 1.00 . A A . 25 MET O 1 1 6 3181 1 1 25 MET SD S -1.719 7.742 -6.676 1.00 . A A . 25 MET SD 1 1 6 3182 1 1 26 LYS C C -0.539 1.223 -3.625 1.00 . A A . 26 LYS C 1 1 6 3183 1 1 26 LYS CA C -1.777 1.884 -3.111 1.00 . A A . 26 LYS CA 1 1 6 3184 1 1 26 LYS CB C -3.053 1.239 -3.647 1.00 . A A . 26 LYS CB 1 1 6 3185 1 1 26 LYS CD C -4.536 2.739 -2.299 1.00 . A A . 26 LYS CD 1 1 6 3186 1 1 26 LYS CE C -5.620 2.779 -1.239 1.00 . A A . 26 LYS CE 1 1 6 3187 1 1 26 LYS CG C -4.196 1.323 -2.669 1.00 . A A . 26 LYS CG 1 1 6 3188 1 1 26 LYS H H -1.862 3.842 -2.473 1.00 . A A . 26 LYS H 1 1 6 3189 1 1 26 LYS HA H -1.760 1.737 -2.042 1.00 . A A . 26 LYS HA 1 1 6 3190 1 1 26 LYS HB2 H -3.340 1.737 -4.561 1.00 . A A . 26 LYS HB2 1 1 6 3191 1 1 26 LYS HB3 H -2.857 0.197 -3.857 1.00 . A A . 26 LYS HB3 1 1 6 3192 1 1 26 LYS HD2 H -3.619 3.194 -1.943 1.00 . A A . 26 LYS HD2 1 1 6 3193 1 1 26 LYS HD3 H -4.861 3.255 -3.188 1.00 . A A . 26 LYS HD3 1 1 6 3194 1 1 26 LYS HE2 H -5.780 3.812 -0.970 1.00 . A A . 26 LYS HE2 1 1 6 3195 1 1 26 LYS HE3 H -6.530 2.366 -1.649 1.00 . A A . 26 LYS HE3 1 1 6 3196 1 1 26 LYS HG2 H -5.076 0.830 -3.050 1.00 . A A . 26 LYS HG2 1 1 6 3197 1 1 26 LYS HG3 H -3.838 0.839 -1.774 1.00 . A A . 26 LYS HG3 1 1 6 3198 1 1 26 LYS HZ1 H -4.347 2.355 0.392 1.00 . A A . 26 LYS HZ1 1 1 6 3199 1 1 26 LYS HZ2 H -5.167 0.996 -0.198 1.00 . A A . 26 LYS HZ2 1 1 6 3200 1 1 26 LYS HZ3 H -5.980 2.136 0.704 1.00 . A A . 26 LYS HZ3 1 1 6 3201 1 1 26 LYS N N -1.772 3.326 -3.298 1.00 . A A . 26 LYS N 1 1 6 3202 1 1 26 LYS NZ N -5.243 2.024 -0.019 1.00 . A A . 26 LYS NZ 1 1 6 3203 1 1 26 LYS O O -0.569 0.072 -4.047 1.00 . A A . 26 LYS O 1 1 6 3204 1 1 27 TYR C C 2.971 1.720 -3.118 1.00 . A A . 27 TYR C 1 1 6 3205 1 1 27 TYR CA C 1.814 1.306 -3.954 1.00 . A A . 27 TYR CA 1 1 6 3206 1 1 27 TYR CB C 2.159 1.430 -5.465 1.00 . A A . 27 TYR CB 1 1 6 3207 1 1 27 TYR CD1 C 1.623 3.567 -6.705 1.00 . A A . 27 TYR CD1 1 1 6 3208 1 1 27 TYR CD2 C 3.803 3.329 -5.796 1.00 . A A . 27 TYR CD2 1 1 6 3209 1 1 27 TYR CE1 C 1.975 4.806 -7.206 1.00 . A A . 27 TYR CE1 1 1 6 3210 1 1 27 TYR CE2 C 4.157 4.561 -6.284 1.00 . A A . 27 TYR CE2 1 1 6 3211 1 1 27 TYR CG C 2.526 2.808 -5.993 1.00 . A A . 27 TYR CG 1 1 6 3212 1 1 27 TYR CZ C 3.239 5.296 -6.991 1.00 . A A . 27 TYR CZ 1 1 6 3213 1 1 27 TYR H H 0.488 2.795 -3.090 1.00 . A A . 27 TYR H 1 1 6 3214 1 1 27 TYR HA H 1.677 0.256 -3.738 1.00 . A A . 27 TYR HA 1 1 6 3215 1 1 27 TYR HB2 H 3.021 0.803 -5.639 1.00 . A A . 27 TYR HB2 1 1 6 3216 1 1 27 TYR HB3 H 1.346 1.028 -6.044 1.00 . A A . 27 TYR HB3 1 1 6 3217 1 1 27 TYR HD1 H 0.627 3.181 -6.869 1.00 . A A . 27 TYR HD1 1 1 6 3218 1 1 27 TYR HD2 H 4.523 2.747 -5.240 1.00 . A A . 27 TYR HD2 1 1 6 3219 1 1 27 TYR HE1 H 1.253 5.387 -7.761 1.00 . A A . 27 TYR HE1 1 1 6 3220 1 1 27 TYR HE2 H 5.154 4.941 -6.112 1.00 . A A . 27 TYR HE2 1 1 6 3221 1 1 27 TYR HH H 2.851 7.149 -7.378 1.00 . A A . 27 TYR HH 1 1 6 3222 1 1 27 TYR N N 0.560 1.915 -3.530 1.00 . A A . 27 TYR N 1 1 6 3223 1 1 27 TYR O O 2.995 2.818 -2.537 1.00 . A A . 27 TYR O 1 1 6 3224 1 1 27 TYR OH O 3.590 6.535 -7.485 1.00 . A A . 27 TYR OH 1 1 6 3225 1 1 28 CYS C C 6.063 1.968 -3.084 1.00 . A A . 28 CYS C 1 1 6 3226 1 1 28 CYS CA C 5.111 1.058 -2.327 1.00 . A A . 28 CYS CA 1 1 6 3227 1 1 28 CYS CB C 5.759 -0.286 -2.045 1.00 . A A . 28 CYS CB 1 1 6 3228 1 1 28 CYS H H 3.787 0.030 -3.592 1.00 . A A . 28 CYS H 1 1 6 3229 1 1 28 CYS HA H 4.846 1.518 -1.387 1.00 . A A . 28 CYS HA 1 1 6 3230 1 1 28 CYS HB2 H 6.123 -0.704 -2.972 1.00 . A A . 28 CYS HB2 1 1 6 3231 1 1 28 CYS HB3 H 6.587 -0.144 -1.368 1.00 . A A . 28 CYS HB3 1 1 6 3232 1 1 28 CYS N N 3.922 0.860 -3.082 1.00 . A A . 28 CYS N 1 1 6 3233 1 1 28 CYS O O 6.304 1.786 -4.292 1.00 . A A . 28 CYS O 1 1 6 3234 1 1 28 CYS SG S 4.626 -1.499 -1.295 1.00 . A A . 28 CYS SG 1 1 6 3235 1 1 29 ALA C C 8.714 3.853 -1.999 1.00 . A A . 29 ALA C 1 1 6 3236 1 1 29 ALA CA C 7.505 3.894 -2.914 1.00 . A A . 29 ALA CA 1 1 6 3237 1 1 29 ALA CB C 6.875 5.280 -2.947 1.00 . A A . 29 ALA CB 1 1 6 3238 1 1 29 ALA H H 6.305 3.030 -1.445 1.00 . A A . 29 ALA H 1 1 6 3239 1 1 29 ALA HA H 7.787 3.593 -3.912 1.00 . A A . 29 ALA HA 1 1 6 3240 1 1 29 ALA HB1 H 6.005 5.264 -3.585 1.00 . A A . 29 ALA HB1 1 1 6 3241 1 1 29 ALA HB2 H 7.584 5.995 -3.333 1.00 . A A . 29 ALA HB2 1 1 6 3242 1 1 29 ALA HB3 H 6.580 5.566 -1.947 1.00 . A A . 29 ALA HB3 1 1 6 3243 1 1 29 ALA N N 6.561 2.947 -2.394 1.00 . A A . 29 ALA N 1 1 6 3244 1 1 29 ALA O O 8.655 3.185 -0.973 1.00 . A A . 29 ALA O 1 1 6 3245 1 1 30 TRP C C 10.882 5.147 -0.135 1.00 . A A . 30 TRP C 1 1 6 3246 1 1 30 TRP CA C 11.009 4.507 -1.509 1.00 . A A . 30 TRP CA 1 1 6 3247 1 1 30 TRP CB C 12.212 5.050 -2.256 1.00 . A A . 30 TRP CB 1 1 6 3248 1 1 30 TRP CD1 C 12.490 4.492 -4.707 1.00 . A A . 30 TRP CD1 1 1 6 3249 1 1 30 TRP CD2 C 13.149 2.913 -3.315 1.00 . A A . 30 TRP CD2 1 1 6 3250 1 1 30 TRP CE2 C 13.380 2.454 -4.612 1.00 . A A . 30 TRP CE2 1 1 6 3251 1 1 30 TRP CE3 C 13.463 2.118 -2.251 1.00 . A A . 30 TRP CE3 1 1 6 3252 1 1 30 TRP CG C 12.605 4.206 -3.402 1.00 . A A . 30 TRP CG 1 1 6 3253 1 1 30 TRP CH2 C 14.234 0.418 -3.779 1.00 . A A . 30 TRP CH2 1 1 6 3254 1 1 30 TRP CZ2 C 13.929 1.198 -4.868 1.00 . A A . 30 TRP CZ2 1 1 6 3255 1 1 30 TRP CZ3 C 14.002 0.872 -2.477 1.00 . A A . 30 TRP CZ3 1 1 6 3256 1 1 30 TRP H H 9.750 5.186 -3.078 1.00 . A A . 30 TRP H 1 1 6 3257 1 1 30 TRP HA H 11.165 3.451 -1.358 1.00 . A A . 30 TRP HA 1 1 6 3258 1 1 30 TRP HB2 H 11.997 6.037 -2.625 1.00 . A A . 30 TRP HB2 1 1 6 3259 1 1 30 TRP HB3 H 13.050 5.100 -1.578 1.00 . A A . 30 TRP HB3 1 1 6 3260 1 1 30 TRP HD1 H 12.091 5.424 -5.074 1.00 . A A . 30 TRP HD1 1 1 6 3261 1 1 30 TRP HE1 H 13.006 3.419 -6.440 1.00 . A A . 30 TRP HE1 1 1 6 3262 1 1 30 TRP HE3 H 13.253 2.527 -1.277 1.00 . A A . 30 TRP HE3 1 1 6 3263 1 1 30 TRP HH2 H 14.657 -0.568 -3.901 1.00 . A A . 30 TRP HH2 1 1 6 3264 1 1 30 TRP HZ2 H 14.111 0.842 -5.872 1.00 . A A . 30 TRP HZ2 1 1 6 3265 1 1 30 TRP HZ3 H 14.252 0.234 -1.642 1.00 . A A . 30 TRP HZ3 1 1 6 3266 1 1 30 TRP N N 9.776 4.575 -2.311 1.00 . A A . 30 TRP N 1 1 6 3267 1 1 30 TRP NE1 N 12.977 3.448 -5.458 1.00 . A A . 30 TRP NE1 1 1 6 3268 1 1 30 TRP O O 11.804 5.087 0.684 1.00 . A A . 30 TRP O 1 1 6 3269 1 1 31 ASP C C 7.937 6.758 1.050 1.00 . A A . 31 ASP C 1 1 6 3270 1 1 31 ASP CA C 9.345 6.329 1.315 1.00 . A A . 31 ASP CA 1 1 6 3271 1 1 31 ASP CB C 10.223 7.538 1.736 1.00 . A A . 31 ASP CB 1 1 6 3272 1 1 31 ASP CG C 9.982 8.799 0.943 1.00 . A A . 31 ASP CG 1 1 6 3273 1 1 31 ASP H H 9.066 5.789 -0.609 1.00 . A A . 31 ASP H 1 1 6 3274 1 1 31 ASP HA H 9.347 5.561 2.074 1.00 . A A . 31 ASP HA 1 1 6 3275 1 1 31 ASP HB2 H 10.041 7.764 2.775 1.00 . A A . 31 ASP HB2 1 1 6 3276 1 1 31 ASP HB3 H 11.257 7.248 1.620 1.00 . A A . 31 ASP HB3 1 1 6 3277 1 1 31 ASP N N 9.749 5.737 0.091 1.00 . A A . 31 ASP N 1 1 6 3278 1 1 31 ASP O O 7.540 6.850 -0.113 1.00 . A A . 31 ASP O 1 1 6 3279 1 1 31 ASP OD1 O 9.128 9.607 1.357 1.00 . A A . 31 ASP OD1 1 1 6 3280 1 1 31 ASP OD2 O 10.664 9.021 -0.084 1.00 . A A . 31 ASP OD2 1 1 6 3281 1 1 32 PHE C C 5.569 8.844 2.035 1.00 . A A . 32 PHE C 1 1 6 3282 1 1 32 PHE CA C 5.791 7.348 1.862 1.00 . A A . 32 PHE CA 1 1 6 3283 1 1 32 PHE CB C 4.816 6.530 2.745 1.00 . A A . 32 PHE CB 1 1 6 3284 1 1 32 PHE CD1 C 5.717 5.679 4.939 1.00 . A A . 32 PHE CD1 1 1 6 3285 1 1 32 PHE CD2 C 4.466 7.706 4.950 1.00 . A A . 32 PHE CD2 1 1 6 3286 1 1 32 PHE CE1 C 5.879 5.769 6.306 1.00 . A A . 32 PHE CE1 1 1 6 3287 1 1 32 PHE CE2 C 4.628 7.803 6.317 1.00 . A A . 32 PHE CE2 1 1 6 3288 1 1 32 PHE CG C 5.010 6.645 4.242 1.00 . A A . 32 PHE CG 1 1 6 3289 1 1 32 PHE CZ C 5.335 6.832 6.996 1.00 . A A . 32 PHE CZ 1 1 6 3290 1 1 32 PHE H H 7.576 6.832 2.945 1.00 . A A . 32 PHE H 1 1 6 3291 1 1 32 PHE HA H 5.571 7.122 0.828 1.00 . A A . 32 PHE HA 1 1 6 3292 1 1 32 PHE HB2 H 3.807 6.851 2.533 1.00 . A A . 32 PHE HB2 1 1 6 3293 1 1 32 PHE HB3 H 4.905 5.487 2.476 1.00 . A A . 32 PHE HB3 1 1 6 3294 1 1 32 PHE HD1 H 6.147 4.847 4.403 1.00 . A A . 32 PHE HD1 1 1 6 3295 1 1 32 PHE HD2 H 3.914 8.467 4.419 1.00 . A A . 32 PHE HD2 1 1 6 3296 1 1 32 PHE HE1 H 6.432 5.007 6.836 1.00 . A A . 32 PHE HE1 1 1 6 3297 1 1 32 PHE HE2 H 4.200 8.636 6.855 1.00 . A A . 32 PHE HE2 1 1 6 3298 1 1 32 PHE HZ H 5.458 6.904 8.066 1.00 . A A . 32 PHE HZ 1 1 6 3299 1 1 32 PHE N N 7.178 6.961 2.059 1.00 . A A . 32 PHE N 1 1 6 3300 1 1 32 PHE O O 4.502 9.356 1.698 1.00 . A A . 32 PHE O 1 1 6 3301 1 1 33 THR C C 6.647 11.836 1.547 1.00 . A A . 33 THR C 1 1 6 3302 1 1 33 THR CA C 6.441 10.947 2.791 1.00 . A A . 33 THR CA 1 1 6 3303 1 1 33 THR CB C 7.390 11.358 3.936 1.00 . A A . 33 THR CB 1 1 6 3304 1 1 33 THR CG2 C 6.899 10.814 5.271 1.00 . A A . 33 THR CG2 1 1 6 3305 1 1 33 THR H H 7.443 9.107 2.604 1.00 . A A . 33 THR H 1 1 6 3306 1 1 33 THR HA H 5.427 11.095 3.132 1.00 . A A . 33 THR HA 1 1 6 3307 1 1 33 THR HB H 7.425 12.438 3.980 1.00 . A A . 33 THR HB 1 1 6 3308 1 1 33 THR HG1 H 8.772 10.385 2.817 1.00 . A A . 33 THR HG1 1 1 6 3309 1 1 33 THR HG21 H 7.580 11.110 6.054 1.00 . A A . 33 THR HG21 1 1 6 3310 1 1 33 THR HG22 H 6.852 9.736 5.224 1.00 . A A . 33 THR HG22 1 1 6 3311 1 1 33 THR HG23 H 5.915 11.206 5.482 1.00 . A A . 33 THR HG23 1 1 6 3312 1 1 33 THR N N 6.570 9.537 2.498 1.00 . A A . 33 THR N 1 1 6 3313 1 1 33 THR O O 5.730 12.033 0.749 1.00 . A A . 33 THR O 1 1 6 3314 1 1 33 THR OG1 O 8.731 10.854 3.669 1.00 . A A . 33 THR OG1 1 1 6 3315 1 1 34 PHE C C 9.543 12.718 -0.312 1.00 . A A . 34 PHE C 1 1 6 3316 1 1 34 PHE CA C 8.205 13.154 0.241 1.00 . A A . 34 PHE CA 1 1 6 3317 1 1 34 PHE CB C 8.265 14.642 0.651 1.00 . A A . 34 PHE CB 1 1 6 3318 1 1 34 PHE CD1 C 6.003 15.653 0.224 1.00 . A A . 34 PHE CD1 1 1 6 3319 1 1 34 PHE CD2 C 6.681 15.322 2.486 1.00 . A A . 34 PHE CD2 1 1 6 3320 1 1 34 PHE CE1 C 4.802 16.181 0.656 1.00 . A A . 34 PHE CE1 1 1 6 3321 1 1 34 PHE CE2 C 5.482 15.849 2.925 1.00 . A A . 34 PHE CE2 1 1 6 3322 1 1 34 PHE CG C 6.955 15.217 1.131 1.00 . A A . 34 PHE CG 1 1 6 3323 1 1 34 PHE CZ C 4.541 16.279 2.009 1.00 . A A . 34 PHE CZ 1 1 6 3324 1 1 34 PHE H H 8.575 12.055 1.976 1.00 . A A . 34 PHE H 1 1 6 3325 1 1 34 PHE HA H 7.450 13.026 -0.521 1.00 . A A . 34 PHE HA 1 1 6 3326 1 1 34 PHE HB2 H 8.982 14.755 1.450 1.00 . A A . 34 PHE HB2 1 1 6 3327 1 1 34 PHE HB3 H 8.594 15.223 -0.198 1.00 . A A . 34 PHE HB3 1 1 6 3328 1 1 34 PHE HD1 H 6.205 15.575 -0.835 1.00 . A A . 34 PHE HD1 1 1 6 3329 1 1 34 PHE HD2 H 7.415 14.986 3.203 1.00 . A A . 34 PHE HD2 1 1 6 3330 1 1 34 PHE HE1 H 4.069 16.518 -0.061 1.00 . A A . 34 PHE HE1 1 1 6 3331 1 1 34 PHE HE2 H 5.281 15.925 3.983 1.00 . A A . 34 PHE HE2 1 1 6 3332 1 1 34 PHE HZ H 3.604 16.692 2.351 1.00 . A A . 34 PHE HZ 1 1 6 3333 1 1 34 PHE N N 7.859 12.307 1.355 1.00 . A A . 34 PHE N 1 1 6 3334 1 1 34 PHE O O 10.584 12.920 0.318 1.00 . A A . 34 PHE O 1 1 6 3335 1 1 35 THR C C 11.393 12.775 -2.849 1.00 . A A . 35 THR C 1 1 6 3336 1 1 35 THR CA C 10.700 11.619 -2.116 1.00 . A A . 35 THR CA 1 1 6 3337 1 1 35 THR CB C 10.316 10.520 -3.120 1.00 . A A . 35 THR CB 1 1 6 3338 1 1 35 THR CG2 C 11.538 9.937 -3.805 1.00 . A A . 35 THR CG2 1 1 6 3339 1 1 35 THR H H 8.640 11.929 -1.876 1.00 . A A . 35 THR H 1 1 6 3340 1 1 35 THR HA H 11.368 11.198 -1.379 1.00 . A A . 35 THR HA 1 1 6 3341 1 1 35 THR HB H 9.658 10.951 -3.860 1.00 . A A . 35 THR HB 1 1 6 3342 1 1 35 THR HG1 H 10.037 9.363 -1.555 1.00 . A A . 35 THR HG1 1 1 6 3343 1 1 35 THR HG21 H 11.233 9.176 -4.507 1.00 . A A . 35 THR HG21 1 1 6 3344 1 1 35 THR HG22 H 12.190 9.502 -3.062 1.00 . A A . 35 THR HG22 1 1 6 3345 1 1 35 THR HG23 H 12.060 10.723 -4.330 1.00 . A A . 35 THR HG23 1 1 6 3346 1 1 35 THR N N 9.507 12.091 -1.448 1.00 . A A . 35 THR N 1 1 6 3347 1 1 35 THR O O 10.749 13.807 -3.153 1.00 . A A . 35 THR O 1 1 6 3348 1 1 35 THR OG1 O 9.610 9.471 -2.427 1.00 . A A . 35 THR OG1 1 1 7 3349 1 1 1 ASP C C 7.549 -10.288 0.988 1.00 . A A . 1 ASP C 1 1 7 3350 1 1 1 ASP CA C 8.438 -11.502 0.895 1.00 . A A . 1 ASP CA 1 1 7 3351 1 1 1 ASP CB C 8.070 -12.332 -0.334 1.00 . A A . 1 ASP CB 1 1 7 3352 1 1 1 ASP CG C 8.122 -11.529 -1.615 1.00 . A A . 1 ASP CG 1 1 7 3353 1 1 1 ASP H1 H 8.915 -13.144 2.096 1.00 . A A . 1 ASP H1 1 1 7 3354 1 1 1 ASP H2 H 7.333 -12.565 2.280 1.00 . A A . 1 ASP H2 1 1 7 3355 1 1 1 ASP H3 H 8.619 -11.706 2.922 1.00 . A A . 1 ASP H3 1 1 7 3356 1 1 1 ASP HA H 9.461 -11.172 0.814 1.00 . A A . 1 ASP HA 1 1 7 3357 1 1 1 ASP HB2 H 8.761 -13.156 -0.425 1.00 . A A . 1 ASP HB2 1 1 7 3358 1 1 1 ASP HB3 H 7.069 -12.715 -0.211 1.00 . A A . 1 ASP HB3 1 1 7 3359 1 1 1 ASP N N 8.323 -12.290 2.118 1.00 . A A . 1 ASP N 1 1 7 3360 1 1 1 ASP O O 6.401 -10.389 1.420 1.00 . A A . 1 ASP O 1 1 7 3361 1 1 1 ASP OD1 O 9.230 -11.272 -2.126 1.00 . A A . 1 ASP OD1 1 1 7 3362 1 1 1 ASP OD2 O 7.053 -11.158 -2.141 1.00 . A A . 1 ASP OD2 1 1 7 3363 1 1 2 CYS C C 7.150 -7.343 -0.695 1.00 . A A . 2 CYS C 1 1 7 3364 1 1 2 CYS CA C 7.370 -7.917 0.670 1.00 . A A . 2 CYS CA 1 1 7 3365 1 1 2 CYS CB C 8.180 -6.958 1.494 1.00 . A A . 2 CYS CB 1 1 7 3366 1 1 2 CYS H H 8.977 -9.119 0.228 1.00 . A A . 2 CYS H 1 1 7 3367 1 1 2 CYS HA H 6.412 -8.030 1.150 1.00 . A A . 2 CYS HA 1 1 7 3368 1 1 2 CYS HB2 H 7.769 -5.976 1.313 1.00 . A A . 2 CYS HB2 1 1 7 3369 1 1 2 CYS HB3 H 8.085 -7.199 2.537 1.00 . A A . 2 CYS HB3 1 1 7 3370 1 1 2 CYS N N 8.069 -9.162 0.602 1.00 . A A . 2 CYS N 1 1 7 3371 1 1 2 CYS O O 7.750 -7.787 -1.684 1.00 . A A . 2 CYS O 1 1 7 3372 1 1 2 CYS SG S 9.939 -6.896 1.025 1.00 . A A . 2 CYS SG 1 1 7 3373 1 1 3 ARG C C 7.075 -4.636 -2.155 1.00 . A A . 3 ARG C 1 1 7 3374 1 1 3 ARG CA C 6.019 -5.672 -1.958 1.00 . A A . 3 ARG CA 1 1 7 3375 1 1 3 ARG CB C 4.647 -5.004 -1.903 1.00 . A A . 3 ARG CB 1 1 7 3376 1 1 3 ARG CD C 3.382 -6.723 -3.191 1.00 . A A . 3 ARG CD 1 1 7 3377 1 1 3 ARG CG C 3.474 -5.957 -1.890 1.00 . A A . 3 ARG CG 1 1 7 3378 1 1 3 ARG CZ C 1.706 -8.121 -4.360 1.00 . A A . 3 ARG CZ 1 1 7 3379 1 1 3 ARG H H 5.849 -6.101 0.084 1.00 . A A . 3 ARG H 1 1 7 3380 1 1 3 ARG HA H 6.043 -6.370 -2.781 1.00 . A A . 3 ARG HA 1 1 7 3381 1 1 3 ARG HB2 H 4.596 -4.402 -1.008 1.00 . A A . 3 ARG HB2 1 1 7 3382 1 1 3 ARG HB3 H 4.547 -4.353 -2.760 1.00 . A A . 3 ARG HB3 1 1 7 3383 1 1 3 ARG HD2 H 3.358 -6.018 -4.010 1.00 . A A . 3 ARG HD2 1 1 7 3384 1 1 3 ARG HD3 H 4.250 -7.357 -3.291 1.00 . A A . 3 ARG HD3 1 1 7 3385 1 1 3 ARG HE H 1.716 -7.668 -2.392 1.00 . A A . 3 ARG HE 1 1 7 3386 1 1 3 ARG HG2 H 3.599 -6.658 -1.077 1.00 . A A . 3 ARG HG2 1 1 7 3387 1 1 3 ARG HG3 H 2.562 -5.395 -1.746 1.00 . A A . 3 ARG HG3 1 1 7 3388 1 1 3 ARG HH11 H 3.182 -7.430 -5.607 1.00 . A A . 3 ARG HH11 1 1 7 3389 1 1 3 ARG HH12 H 1.991 -8.382 -6.363 1.00 . A A . 3 ARG HH12 1 1 7 3390 1 1 3 ARG HH21 H 0.079 -8.988 -3.459 1.00 . A A . 3 ARG HH21 1 1 7 3391 1 1 3 ARG HH22 H 0.214 -9.270 -5.137 1.00 . A A . 3 ARG HH22 1 1 7 3392 1 1 3 ARG N N 6.298 -6.376 -0.749 1.00 . A A . 3 ARG N 1 1 7 3393 1 1 3 ARG NE N 2.182 -7.553 -3.251 1.00 . A A . 3 ARG NE 1 1 7 3394 1 1 3 ARG NH1 N 2.340 -7.967 -5.517 1.00 . A A . 3 ARG NH1 1 1 7 3395 1 1 3 ARG NH2 N 0.593 -8.842 -4.310 1.00 . A A . 3 ARG NH2 1 1 7 3396 1 1 3 ARG O O 7.351 -3.826 -1.242 1.00 . A A . 3 ARG O 1 1 7 3397 1 1 4 TYR C C 8.024 -2.543 -4.285 1.00 . A A . 4 TYR C 1 1 7 3398 1 1 4 TYR CA C 8.668 -3.752 -3.630 1.00 . A A . 4 TYR CA 1 1 7 3399 1 1 4 TYR CB C 9.700 -4.407 -4.511 1.00 . A A . 4 TYR CB 1 1 7 3400 1 1 4 TYR CD1 C 11.568 -5.033 -2.930 1.00 . A A . 4 TYR CD1 1 1 7 3401 1 1 4 TYR CD2 C 10.361 -6.788 -3.999 1.00 . A A . 4 TYR CD2 1 1 7 3402 1 1 4 TYR CE1 C 12.352 -5.954 -2.287 1.00 . A A . 4 TYR CE1 1 1 7 3403 1 1 4 TYR CE2 C 11.149 -7.717 -3.351 1.00 . A A . 4 TYR CE2 1 1 7 3404 1 1 4 TYR CG C 10.553 -5.431 -3.799 1.00 . A A . 4 TYR CG 1 1 7 3405 1 1 4 TYR CZ C 12.141 -7.292 -2.496 1.00 . A A . 4 TYR CZ 1 1 7 3406 1 1 4 TYR H H 7.482 -5.332 -3.984 1.00 . A A . 4 TYR H 1 1 7 3407 1 1 4 TYR HA H 9.144 -3.441 -2.712 1.00 . A A . 4 TYR HA 1 1 7 3408 1 1 4 TYR HB2 H 9.204 -4.883 -5.342 1.00 . A A . 4 TYR HB2 1 1 7 3409 1 1 4 TYR HB3 H 10.342 -3.637 -4.886 1.00 . A A . 4 TYR HB3 1 1 7 3410 1 1 4 TYR HD1 H 11.748 -3.989 -2.724 1.00 . A A . 4 TYR HD1 1 1 7 3411 1 1 4 TYR HD2 H 9.582 -7.118 -4.670 1.00 . A A . 4 TYR HD2 1 1 7 3412 1 1 4 TYR HE1 H 13.128 -5.607 -1.622 1.00 . A A . 4 TYR HE1 1 1 7 3413 1 1 4 TYR HE2 H 10.988 -8.772 -3.511 1.00 . A A . 4 TYR HE2 1 1 7 3414 1 1 4 TYR HH H 13.060 -7.883 -0.934 1.00 . A A . 4 TYR HH 1 1 7 3415 1 1 4 TYR N N 7.688 -4.672 -3.290 1.00 . A A . 4 TYR N 1 1 7 3416 1 1 4 TYR O O 6.801 -2.362 -4.195 1.00 . A A . 4 TYR O 1 1 7 3417 1 1 4 TYR OH O 12.918 -8.216 -1.833 1.00 . A A . 4 TYR OH 1 1 7 3418 1 1 5 MET C C 7.276 -0.744 -6.539 1.00 . A A . 5 MET C 1 1 7 3419 1 1 5 MET CA C 8.319 -0.482 -5.469 1.00 . A A . 5 MET CA 1 1 7 3420 1 1 5 MET CB C 9.461 0.368 -6.018 1.00 . A A . 5 MET CB 1 1 7 3421 1 1 5 MET CE C 9.850 4.449 -6.547 1.00 . A A . 5 MET CE 1 1 7 3422 1 1 5 MET CG C 9.123 1.831 -6.147 1.00 . A A . 5 MET CG 1 1 7 3423 1 1 5 MET H H 9.746 -1.969 -5.108 1.00 . A A . 5 MET H 1 1 7 3424 1 1 5 MET HA H 7.823 0.058 -4.673 1.00 . A A . 5 MET HA 1 1 7 3425 1 1 5 MET HB2 H 10.338 0.280 -5.396 1.00 . A A . 5 MET HB2 1 1 7 3426 1 1 5 MET HB3 H 9.706 0.003 -7.004 1.00 . A A . 5 MET HB3 1 1 7 3427 1 1 5 MET HE1 H 8.928 4.551 -7.098 1.00 . A A . 5 MET HE1 1 1 7 3428 1 1 5 MET HE2 H 10.579 5.163 -6.900 1.00 . A A . 5 MET HE2 1 1 7 3429 1 1 5 MET HE3 H 9.676 4.612 -5.493 1.00 . A A . 5 MET HE3 1 1 7 3430 1 1 5 MET HG2 H 8.290 1.942 -6.827 1.00 . A A . 5 MET HG2 1 1 7 3431 1 1 5 MET HG3 H 8.846 2.200 -5.172 1.00 . A A . 5 MET HG3 1 1 7 3432 1 1 5 MET N N 8.811 -1.724 -4.935 1.00 . A A . 5 MET N 1 1 7 3433 1 1 5 MET O O 7.443 -1.625 -7.378 1.00 . A A . 5 MET O 1 1 7 3434 1 1 5 MET SD S 10.503 2.798 -6.757 1.00 . A A . 5 MET SD 1 1 7 3435 1 1 6 PHE C C 4.120 -1.257 -7.003 1.00 . A A . 6 PHE C 1 1 7 3436 1 1 6 PHE CA C 5.022 -0.069 -7.334 1.00 . A A . 6 PHE CA 1 1 7 3437 1 1 6 PHE CB C 5.401 -0.023 -8.833 1.00 . A A . 6 PHE CB 1 1 7 3438 1 1 6 PHE CD1 C 5.587 2.417 -9.392 1.00 . A A . 6 PHE CD1 1 1 7 3439 1 1 6 PHE CD2 C 7.574 1.110 -9.359 1.00 . A A . 6 PHE CD2 1 1 7 3440 1 1 6 PHE CE1 C 6.327 3.536 -9.721 1.00 . A A . 6 PHE CE1 1 1 7 3441 1 1 6 PHE CE2 C 8.320 2.216 -9.685 1.00 . A A . 6 PHE CE2 1 1 7 3442 1 1 6 PHE CG C 6.201 1.195 -9.207 1.00 . A A . 6 PHE CG 1 1 7 3443 1 1 6 PHE CZ C 7.699 3.436 -9.866 1.00 . A A . 6 PHE CZ 1 1 7 3444 1 1 6 PHE H H 6.150 0.633 -5.688 1.00 . A A . 6 PHE H 1 1 7 3445 1 1 6 PHE HA H 4.444 0.814 -7.098 1.00 . A A . 6 PHE HA 1 1 7 3446 1 1 6 PHE HB2 H 5.989 -0.897 -9.074 1.00 . A A . 6 PHE HB2 1 1 7 3447 1 1 6 PHE HB3 H 4.498 -0.030 -9.425 1.00 . A A . 6 PHE HB3 1 1 7 3448 1 1 6 PHE HD1 H 4.517 2.490 -9.272 1.00 . A A . 6 PHE HD1 1 1 7 3449 1 1 6 PHE HD2 H 8.062 0.158 -9.217 1.00 . A A . 6 PHE HD2 1 1 7 3450 1 1 6 PHE HE1 H 5.835 4.486 -9.862 1.00 . A A . 6 PHE HE1 1 1 7 3451 1 1 6 PHE HE2 H 9.392 2.117 -9.784 1.00 . A A . 6 PHE HE2 1 1 7 3452 1 1 6 PHE HZ H 8.282 4.307 -10.123 1.00 . A A . 6 PHE HZ 1 1 7 3453 1 1 6 PHE N N 6.182 -0.003 -6.440 1.00 . A A . 6 PHE N 1 1 7 3454 1 1 6 PHE O O 3.055 -1.431 -7.612 1.00 . A A . 6 PHE O 1 1 7 3455 1 1 7 GLY C C 2.570 -2.648 -4.736 1.00 . A A . 7 GLY C 1 1 7 3456 1 1 7 GLY CA C 3.724 -3.149 -5.562 1.00 . A A . 7 GLY CA 1 1 7 3457 1 1 7 GLY H H 5.391 -1.885 -5.576 1.00 . A A . 7 GLY H 1 1 7 3458 1 1 7 GLY HA2 H 3.345 -3.688 -6.417 1.00 . A A . 7 GLY HA2 1 1 7 3459 1 1 7 GLY HA3 H 4.329 -3.809 -4.957 1.00 . A A . 7 GLY HA3 1 1 7 3460 1 1 7 GLY N N 4.527 -2.044 -6.016 1.00 . A A . 7 GLY N 1 1 7 3461 1 1 7 GLY O O 2.710 -1.649 -4.033 1.00 . A A . 7 GLY O 1 1 7 3462 1 1 8 ASP C C 0.326 -3.081 -2.663 1.00 . A A . 8 ASP C 1 1 7 3463 1 1 8 ASP CA C 0.205 -2.916 -4.144 1.00 . A A . 8 ASP CA 1 1 7 3464 1 1 8 ASP CB C -0.952 -3.744 -4.656 1.00 . A A . 8 ASP CB 1 1 7 3465 1 1 8 ASP CG C -2.279 -3.496 -3.967 1.00 . A A . 8 ASP CG 1 1 7 3466 1 1 8 ASP H H 1.423 -4.119 -5.401 1.00 . A A . 8 ASP H 1 1 7 3467 1 1 8 ASP HA H 0.009 -1.880 -4.369 1.00 . A A . 8 ASP HA 1 1 7 3468 1 1 8 ASP HB2 H -1.054 -3.415 -5.670 1.00 . A A . 8 ASP HB2 1 1 7 3469 1 1 8 ASP HB3 H -0.700 -4.793 -4.615 1.00 . A A . 8 ASP HB3 1 1 7 3470 1 1 8 ASP N N 1.443 -3.313 -4.841 1.00 . A A . 8 ASP N 1 1 7 3471 1 1 8 ASP O O 0.952 -4.033 -2.181 1.00 . A A . 8 ASP O 1 1 7 3472 1 1 8 ASP OD1 O -2.577 -4.167 -2.961 1.00 . A A . 8 ASP OD1 1 1 7 3473 1 1 8 ASP OD2 O -3.065 -2.650 -4.436 1.00 . A A . 8 ASP OD2 1 1 7 3474 1 1 9 CYS C C -1.464 -1.694 0.122 1.00 . A A . 9 CYS C 1 1 7 3475 1 1 9 CYS CA C -0.198 -2.235 -0.524 1.00 . A A . 9 CYS CA 1 1 7 3476 1 1 9 CYS CB C 1.006 -1.416 -0.111 1.00 . A A . 9 CYS CB 1 1 7 3477 1 1 9 CYS H H -0.820 -1.489 -2.360 1.00 . A A . 9 CYS H 1 1 7 3478 1 1 9 CYS HA H -0.036 -3.255 -0.211 1.00 . A A . 9 CYS HA 1 1 7 3479 1 1 9 CYS HB2 H 1.230 -1.539 0.935 1.00 . A A . 9 CYS HB2 1 1 7 3480 1 1 9 CYS HB3 H 1.795 -1.820 -0.732 1.00 . A A . 9 CYS HB3 1 1 7 3481 1 1 9 CYS N N -0.289 -2.200 -1.940 1.00 . A A . 9 CYS N 1 1 7 3482 1 1 9 CYS O O -2.291 -1.050 -0.542 1.00 . A A . 9 CYS O 1 1 7 3483 1 1 9 CYS SG S 0.875 0.365 -0.510 1.00 . A A . 9 CYS SG 1 1 7 3484 1 1 10 GLU C C -2.079 -0.748 3.360 1.00 . A A . 10 GLU C 1 1 7 3485 1 1 10 GLU CA C -2.700 -1.491 2.209 1.00 . A A . 10 GLU CA 1 1 7 3486 1 1 10 GLU CB C -3.595 -2.603 2.739 1.00 . A A . 10 GLU CB 1 1 7 3487 1 1 10 GLU CD C -5.719 -2.076 1.544 1.00 . A A . 10 GLU CD 1 1 7 3488 1 1 10 GLU CG C -4.622 -3.092 1.758 1.00 . A A . 10 GLU CG 1 1 7 3489 1 1 10 GLU H H -1.038 -2.684 1.796 1.00 . A A . 10 GLU H 1 1 7 3490 1 1 10 GLU HA H -3.288 -0.807 1.615 1.00 . A A . 10 GLU HA 1 1 7 3491 1 1 10 GLU HB2 H -2.965 -3.438 3.003 1.00 . A A . 10 GLU HB2 1 1 7 3492 1 1 10 GLU HB3 H -4.104 -2.249 3.623 1.00 . A A . 10 GLU HB3 1 1 7 3493 1 1 10 GLU HG2 H -4.127 -3.287 0.819 1.00 . A A . 10 GLU HG2 1 1 7 3494 1 1 10 GLU HG3 H -5.059 -4.007 2.127 1.00 . A A . 10 GLU HG3 1 1 7 3495 1 1 10 GLU N N -1.643 -2.027 1.378 1.00 . A A . 10 GLU N 1 1 7 3496 1 1 10 GLU O O -2.630 0.230 3.862 1.00 . A A . 10 GLU O 1 1 7 3497 1 1 10 GLU OE1 O -6.824 -2.254 2.113 1.00 . A A . 10 GLU OE1 1 1 7 3498 1 1 10 GLU OE2 O -5.509 -1.078 0.831 1.00 . A A . 10 GLU OE2 1 1 7 3499 1 1 11 LYS C C 1.273 -0.840 4.581 1.00 . A A . 11 LYS C 1 1 7 3500 1 1 11 LYS CA C -0.196 -0.630 4.848 1.00 . A A . 11 LYS CA 1 1 7 3501 1 1 11 LYS CB C -0.621 -1.219 6.201 1.00 . A A . 11 LYS CB 1 1 7 3502 1 1 11 LYS CD C -1.065 -3.245 7.594 1.00 . A A . 11 LYS CD 1 1 7 3503 1 1 11 LYS CE C -1.250 -4.753 7.584 1.00 . A A . 11 LYS CE 1 1 7 3504 1 1 11 LYS CG C -0.649 -2.734 6.235 1.00 . A A . 11 LYS CG 1 1 7 3505 1 1 11 LYS H H -0.532 -2.032 3.388 1.00 . A A . 11 LYS H 1 1 7 3506 1 1 11 LYS HA H -0.402 0.431 4.841 1.00 . A A . 11 LYS HA 1 1 7 3507 1 1 11 LYS HB2 H 0.063 -0.876 6.961 1.00 . A A . 11 LYS HB2 1 1 7 3508 1 1 11 LYS HB3 H -1.609 -0.857 6.440 1.00 . A A . 11 LYS HB3 1 1 7 3509 1 1 11 LYS HD2 H -0.289 -2.997 8.302 1.00 . A A . 11 LYS HD2 1 1 7 3510 1 1 11 LYS HD3 H -1.992 -2.774 7.884 1.00 . A A . 11 LYS HD3 1 1 7 3511 1 1 11 LYS HE2 H -2.070 -5.001 6.929 1.00 . A A . 11 LYS HE2 1 1 7 3512 1 1 11 LYS HE3 H -0.342 -5.212 7.223 1.00 . A A . 11 LYS HE3 1 1 7 3513 1 1 11 LYS HG2 H -1.360 -3.074 5.498 1.00 . A A . 11 LYS HG2 1 1 7 3514 1 1 11 LYS HG3 H 0.333 -3.108 5.992 1.00 . A A . 11 LYS HG3 1 1 7 3515 1 1 11 LYS HZ1 H -0.750 -5.058 9.557 1.00 . A A . 11 LYS HZ1 1 1 7 3516 1 1 11 LYS HZ2 H -1.722 -6.297 8.925 1.00 . A A . 11 LYS HZ2 1 1 7 3517 1 1 11 LYS HZ3 H -2.389 -4.795 9.321 1.00 . A A . 11 LYS HZ3 1 1 7 3518 1 1 11 LYS N N -0.939 -1.224 3.786 1.00 . A A . 11 LYS N 1 1 7 3519 1 1 11 LYS NZ N -1.555 -5.272 8.925 1.00 . A A . 11 LYS NZ 1 1 7 3520 1 1 11 LYS O O 1.637 -1.513 3.619 1.00 . A A . 11 LYS O 1 1 7 3521 1 1 12 ASP C C 4.114 -1.749 5.433 1.00 . A A . 12 ASP C 1 1 7 3522 1 1 12 ASP CA C 3.558 -0.372 5.221 1.00 . A A . 12 ASP CA 1 1 7 3523 1 1 12 ASP CB C 4.318 0.647 6.059 1.00 . A A . 12 ASP CB 1 1 7 3524 1 1 12 ASP CG C 4.121 2.045 5.585 1.00 . A A . 12 ASP CG 1 1 7 3525 1 1 12 ASP H H 1.764 0.128 6.239 1.00 . A A . 12 ASP H 1 1 7 3526 1 1 12 ASP HA H 3.715 -0.131 4.180 1.00 . A A . 12 ASP HA 1 1 7 3527 1 1 12 ASP HB2 H 3.955 0.608 7.072 1.00 . A A . 12 ASP HB2 1 1 7 3528 1 1 12 ASP HB3 H 5.373 0.419 6.044 1.00 . A A . 12 ASP HB3 1 1 7 3529 1 1 12 ASP N N 2.112 -0.310 5.430 1.00 . A A . 12 ASP N 1 1 7 3530 1 1 12 ASP O O 5.221 -2.039 4.992 1.00 . A A . 12 ASP O 1 1 7 3531 1 1 12 ASP OD1 O 4.775 2.450 4.625 1.00 . A A . 12 ASP OD1 1 1 7 3532 1 1 12 ASP OD2 O 3.298 2.770 6.176 1.00 . A A . 12 ASP OD2 1 1 7 3533 1 1 13 GLU C C 3.854 -4.721 5.004 1.00 . A A . 13 GLU C 1 1 7 3534 1 1 13 GLU CA C 3.738 -4.003 6.302 1.00 . A A . 13 GLU CA 1 1 7 3535 1 1 13 GLU CB C 2.729 -4.753 7.130 1.00 . A A . 13 GLU CB 1 1 7 3536 1 1 13 GLU CD C 1.741 -5.244 9.365 1.00 . A A . 13 GLU CD 1 1 7 3537 1 1 13 GLU CG C 2.739 -4.425 8.602 1.00 . A A . 13 GLU CG 1 1 7 3538 1 1 13 GLU H H 2.479 -2.273 6.421 1.00 . A A . 13 GLU H 1 1 7 3539 1 1 13 GLU HA H 4.689 -4.017 6.815 1.00 . A A . 13 GLU HA 1 1 7 3540 1 1 13 GLU HB2 H 1.760 -4.540 6.703 1.00 . A A . 13 GLU HB2 1 1 7 3541 1 1 13 GLU HB3 H 2.918 -5.808 6.994 1.00 . A A . 13 GLU HB3 1 1 7 3542 1 1 13 GLU HG2 H 3.725 -4.628 8.995 1.00 . A A . 13 GLU HG2 1 1 7 3543 1 1 13 GLU HG3 H 2.507 -3.380 8.734 1.00 . A A . 13 GLU HG3 1 1 7 3544 1 1 13 GLU N N 3.338 -2.610 6.084 1.00 . A A . 13 GLU N 1 1 7 3545 1 1 13 GLU O O 4.647 -5.653 4.856 1.00 . A A . 13 GLU O 1 1 7 3546 1 1 13 GLU OE1 O 0.854 -4.669 10.016 1.00 . A A . 13 GLU OE1 1 1 7 3547 1 1 13 GLU OE2 O 1.788 -6.488 9.280 1.00 . A A . 13 GLU OE2 1 1 7 3548 1 1 14 ASP C C 4.300 -4.633 2.036 1.00 . A A . 14 ASP C 1 1 7 3549 1 1 14 ASP CA C 3.015 -4.916 2.776 1.00 . A A . 14 ASP CA 1 1 7 3550 1 1 14 ASP CB C 1.828 -4.421 1.955 1.00 . A A . 14 ASP CB 1 1 7 3551 1 1 14 ASP CG C 0.483 -4.701 2.580 1.00 . A A . 14 ASP CG 1 1 7 3552 1 1 14 ASP H H 2.459 -3.536 4.250 1.00 . A A . 14 ASP H 1 1 7 3553 1 1 14 ASP HA H 2.918 -5.983 2.919 1.00 . A A . 14 ASP HA 1 1 7 3554 1 1 14 ASP HB2 H 1.916 -3.359 1.784 1.00 . A A . 14 ASP HB2 1 1 7 3555 1 1 14 ASP HB3 H 1.872 -4.943 1.016 1.00 . A A . 14 ASP HB3 1 1 7 3556 1 1 14 ASP N N 3.050 -4.299 4.065 1.00 . A A . 14 ASP N 1 1 7 3557 1 1 14 ASP O O 4.800 -5.471 1.303 1.00 . A A . 14 ASP O 1 1 7 3558 1 1 14 ASP OD1 O -0.212 -3.754 2.982 1.00 . A A . 14 ASP OD1 1 1 7 3559 1 1 14 ASP OD2 O 0.093 -5.880 2.680 1.00 . A A . 14 ASP OD2 1 1 7 3560 1 1 15 CYS C C 7.271 -3.412 2.430 1.00 . A A . 15 CYS C 1 1 7 3561 1 1 15 CYS CA C 6.061 -3.063 1.610 1.00 . A A . 15 CYS CA 1 1 7 3562 1 1 15 CYS CB C 6.041 -1.566 1.399 1.00 . A A . 15 CYS CB 1 1 7 3563 1 1 15 CYS H H 4.482 -2.900 2.978 1.00 . A A . 15 CYS H 1 1 7 3564 1 1 15 CYS HA H 6.111 -3.547 0.647 1.00 . A A . 15 CYS HA 1 1 7 3565 1 1 15 CYS HB2 H 6.276 -1.077 2.328 1.00 . A A . 15 CYS HB2 1 1 7 3566 1 1 15 CYS HB3 H 6.819 -1.321 0.691 1.00 . A A . 15 CYS HB3 1 1 7 3567 1 1 15 CYS N N 4.866 -3.481 2.290 1.00 . A A . 15 CYS N 1 1 7 3568 1 1 15 CYS O O 7.187 -3.564 3.655 1.00 . A A . 15 CYS O 1 1 7 3569 1 1 15 CYS SG S 4.475 -0.949 0.734 1.00 . A A . 15 CYS SG 1 1 7 3570 1 1 16 CYS C C 10.074 -2.647 3.308 1.00 . A A . 16 CYS C 1 1 7 3571 1 1 16 CYS CA C 9.667 -3.803 2.367 1.00 . A A . 16 CYS CA 1 1 7 3572 1 1 16 CYS CB C 10.675 -3.984 1.261 1.00 . A A . 16 CYS CB 1 1 7 3573 1 1 16 CYS H H 8.329 -3.553 0.777 1.00 . A A . 16 CYS H 1 1 7 3574 1 1 16 CYS HA H 9.598 -4.721 2.931 1.00 . A A . 16 CYS HA 1 1 7 3575 1 1 16 CYS HB2 H 10.905 -3.025 0.833 1.00 . A A . 16 CYS HB2 1 1 7 3576 1 1 16 CYS HB3 H 11.605 -4.376 1.633 1.00 . A A . 16 CYS HB3 1 1 7 3577 1 1 16 CYS N N 8.376 -3.557 1.757 1.00 . A A . 16 CYS N 1 1 7 3578 1 1 16 CYS O O 9.430 -1.586 3.335 1.00 . A A . 16 CYS O 1 1 7 3579 1 1 16 CYS SG S 10.103 -5.156 0.004 1.00 . A A . 16 CYS SG 1 1 7 3580 1 1 17 LYS C C 12.019 -0.578 4.535 1.00 . A A . 17 LYS C 1 1 7 3581 1 1 17 LYS CA C 11.592 -1.908 5.082 1.00 . A A . 17 LYS CA 1 1 7 3582 1 1 17 LYS CB C 12.754 -2.495 5.888 1.00 . A A . 17 LYS CB 1 1 7 3583 1 1 17 LYS CD C 13.350 -4.260 7.638 1.00 . A A . 17 LYS CD 1 1 7 3584 1 1 17 LYS CE C 14.819 -4.608 7.312 1.00 . A A . 17 LYS CE 1 1 7 3585 1 1 17 LYS CG C 12.472 -3.864 6.421 1.00 . A A . 17 LYS CG 1 1 7 3586 1 1 17 LYS H H 11.732 -3.600 3.781 1.00 . A A . 17 LYS H 1 1 7 3587 1 1 17 LYS HA H 10.757 -1.766 5.750 1.00 . A A . 17 LYS HA 1 1 7 3588 1 1 17 LYS HB2 H 13.632 -2.538 5.260 1.00 . A A . 17 LYS HB2 1 1 7 3589 1 1 17 LYS HB3 H 12.949 -1.837 6.719 1.00 . A A . 17 LYS HB3 1 1 7 3590 1 1 17 LYS HD2 H 13.358 -3.437 8.336 1.00 . A A . 17 LYS HD2 1 1 7 3591 1 1 17 LYS HD3 H 12.888 -5.111 8.118 1.00 . A A . 17 LYS HD3 1 1 7 3592 1 1 17 LYS HE2 H 15.288 -4.942 8.225 1.00 . A A . 17 LYS HE2 1 1 7 3593 1 1 17 LYS HE3 H 14.832 -5.423 6.605 1.00 . A A . 17 LYS HE3 1 1 7 3594 1 1 17 LYS HG2 H 11.420 -3.869 6.643 1.00 . A A . 17 LYS HG2 1 1 7 3595 1 1 17 LYS HG3 H 12.648 -4.555 5.611 1.00 . A A . 17 LYS HG3 1 1 7 3596 1 1 17 LYS HZ1 H 16.602 -3.805 6.648 1.00 . A A . 17 LYS HZ1 1 1 7 3597 1 1 17 LYS HZ2 H 15.661 -2.703 7.471 1.00 . A A . 17 LYS HZ2 1 1 7 3598 1 1 17 LYS HZ3 H 15.268 -3.148 5.864 1.00 . A A . 17 LYS HZ3 1 1 7 3599 1 1 17 LYS N N 11.168 -2.830 4.016 1.00 . A A . 17 LYS N 1 1 7 3600 1 1 17 LYS NZ N 15.622 -3.481 6.782 1.00 . A A . 17 LYS NZ 1 1 7 3601 1 1 17 LYS O O 11.744 0.477 5.104 1.00 . A A . 17 LYS O 1 1 7 3602 1 1 18 HIS C C 12.226 1.227 1.883 1.00 . A A . 18 HIS C 1 1 7 3603 1 1 18 HIS CA C 13.247 0.563 2.813 1.00 . A A . 18 HIS CA 1 1 7 3604 1 1 18 HIS CB C 14.544 0.222 2.046 1.00 . A A . 18 HIS CB 1 1 7 3605 1 1 18 HIS CD2 C 15.918 -0.353 4.190 1.00 . A A . 18 HIS CD2 1 1 7 3606 1 1 18 HIS CE1 C 17.191 -1.910 3.378 1.00 . A A . 18 HIS CE1 1 1 7 3607 1 1 18 HIS CG C 15.588 -0.492 2.879 1.00 . A A . 18 HIS CG 1 1 7 3608 1 1 18 HIS H H 12.812 -1.539 3.084 1.00 . A A . 18 HIS H 1 1 7 3609 1 1 18 HIS HA H 13.485 1.253 3.608 1.00 . A A . 18 HIS HA 1 1 7 3610 1 1 18 HIS HB2 H 14.303 -0.407 1.202 1.00 . A A . 18 HIS HB2 1 1 7 3611 1 1 18 HIS HB3 H 14.981 1.140 1.681 1.00 . A A . 18 HIS HB3 1 1 7 3612 1 1 18 HIS HD1 H 16.428 -1.797 1.459 1.00 . A A . 18 HIS HD1 1 1 7 3613 1 1 18 HIS HD2 H 15.473 0.342 4.886 1.00 . A A . 18 HIS HD2 1 1 7 3614 1 1 18 HIS HE1 H 17.936 -2.686 3.278 1.00 . A A . 18 HIS HE1 1 1 7 3615 1 1 18 HIS N N 12.687 -0.633 3.447 1.00 . A A . 18 HIS N 1 1 7 3616 1 1 18 HIS ND1 N 16.411 -1.479 2.389 1.00 . A A . 18 HIS ND1 1 1 7 3617 1 1 18 HIS NE2 N 16.933 -1.259 4.506 1.00 . A A . 18 HIS NE2 1 1 7 3618 1 1 18 HIS O O 12.542 2.169 1.163 1.00 . A A . 18 HIS O 1 1 7 3619 1 1 19 LEU C C 8.759 1.638 1.993 1.00 . A A . 19 LEU C 1 1 7 3620 1 1 19 LEU CA C 9.928 1.237 1.112 1.00 . A A . 19 LEU CA 1 1 7 3621 1 1 19 LEU CB C 9.498 0.125 0.140 1.00 . A A . 19 LEU CB 1 1 7 3622 1 1 19 LEU CD1 C 10.138 -1.610 -1.526 1.00 . A A . 19 LEU CD1 1 1 7 3623 1 1 19 LEU CD2 C 10.808 0.667 -1.927 1.00 . A A . 19 LEU CD2 1 1 7 3624 1 1 19 LEU CG C 10.567 -0.356 -0.857 1.00 . A A . 19 LEU CG 1 1 7 3625 1 1 19 LEU H H 10.784 0.068 2.611 1.00 . A A . 19 LEU H 1 1 7 3626 1 1 19 LEU HA H 10.257 2.101 0.553 1.00 . A A . 19 LEU HA 1 1 7 3627 1 1 19 LEU HB2 H 9.173 -0.720 0.730 1.00 . A A . 19 LEU HB2 1 1 7 3628 1 1 19 LEU HB3 H 8.643 0.478 -0.417 1.00 . A A . 19 LEU HB3 1 1 7 3629 1 1 19 LEU HD11 H 9.968 -2.392 -0.803 1.00 . A A . 19 LEU HD11 1 1 7 3630 1 1 19 LEU HD12 H 10.926 -1.891 -2.211 1.00 . A A . 19 LEU HD12 1 1 7 3631 1 1 19 LEU HD13 H 9.236 -1.410 -2.085 1.00 . A A . 19 LEU HD13 1 1 7 3632 1 1 19 LEU HD21 H 11.536 0.263 -2.615 1.00 . A A . 19 LEU HD21 1 1 7 3633 1 1 19 LEU HD22 H 11.187 1.576 -1.487 1.00 . A A . 19 LEU HD22 1 1 7 3634 1 1 19 LEU HD23 H 9.886 0.858 -2.457 1.00 . A A . 19 LEU HD23 1 1 7 3635 1 1 19 LEU HG H 11.502 -0.529 -0.347 1.00 . A A . 19 LEU HG 1 1 7 3636 1 1 19 LEU N N 11.003 0.756 1.947 1.00 . A A . 19 LEU N 1 1 7 3637 1 1 19 LEU O O 8.701 1.257 3.161 1.00 . A A . 19 LEU O 1 1 7 3638 1 1 20 GLY C C 5.478 2.789 1.334 1.00 . A A . 20 GLY C 1 1 7 3639 1 1 20 GLY CA C 6.707 2.832 2.191 1.00 . A A . 20 GLY CA 1 1 7 3640 1 1 20 GLY H H 7.960 2.672 0.510 1.00 . A A . 20 GLY H 1 1 7 3641 1 1 20 GLY HA2 H 6.570 2.182 3.043 1.00 . A A . 20 GLY HA2 1 1 7 3642 1 1 20 GLY HA3 H 6.859 3.844 2.533 1.00 . A A . 20 GLY HA3 1 1 7 3643 1 1 20 GLY N N 7.857 2.400 1.452 1.00 . A A . 20 GLY N 1 1 7 3644 1 1 20 GLY O O 5.566 2.953 0.119 1.00 . A A . 20 GLY O 1 1 7 3645 1 1 21 CYS C C 2.446 3.814 0.971 1.00 . A A . 21 CYS C 1 1 7 3646 1 1 21 CYS CA C 3.105 2.450 1.215 1.00 . A A . 21 CYS CA 1 1 7 3647 1 1 21 CYS CB C 2.159 1.517 1.991 1.00 . A A . 21 CYS CB 1 1 7 3648 1 1 21 CYS H H 4.370 2.514 2.931 1.00 . A A . 21 CYS H 1 1 7 3649 1 1 21 CYS HA H 3.322 1.995 0.261 1.00 . A A . 21 CYS HA 1 1 7 3650 1 1 21 CYS HB2 H 2.615 0.541 2.057 1.00 . A A . 21 CYS HB2 1 1 7 3651 1 1 21 CYS HB3 H 2.027 1.909 2.989 1.00 . A A . 21 CYS HB3 1 1 7 3652 1 1 21 CYS N N 4.355 2.580 1.942 1.00 . A A . 21 CYS N 1 1 7 3653 1 1 21 CYS O O 1.923 4.429 1.901 1.00 . A A . 21 CYS O 1 1 7 3654 1 1 21 CYS SG S 0.501 1.284 1.258 1.00 . A A . 21 CYS SG 1 1 7 3655 1 1 22 LYS C C 0.388 5.362 -0.509 1.00 . A A . 22 LYS C 1 1 7 3656 1 1 22 LYS CA C 1.837 5.545 -0.657 1.00 . A A . 22 LYS CA 1 1 7 3657 1 1 22 LYS CB C 2.053 5.879 -2.105 1.00 . A A . 22 LYS CB 1 1 7 3658 1 1 22 LYS CD C 3.808 7.669 -2.065 1.00 . A A . 22 LYS CD 1 1 7 3659 1 1 22 LYS CE C 5.217 8.000 -2.538 1.00 . A A . 22 LYS CE 1 1 7 3660 1 1 22 LYS CG C 3.436 6.250 -2.481 1.00 . A A . 22 LYS CG 1 1 7 3661 1 1 22 LYS H H 2.971 3.765 -0.953 1.00 . A A . 22 LYS H 1 1 7 3662 1 1 22 LYS HA H 2.192 6.359 -0.041 1.00 . A A . 22 LYS HA 1 1 7 3663 1 1 22 LYS HB2 H 1.763 4.989 -2.641 1.00 . A A . 22 LYS HB2 1 1 7 3664 1 1 22 LYS HB3 H 1.378 6.677 -2.379 1.00 . A A . 22 LYS HB3 1 1 7 3665 1 1 22 LYS HD2 H 3.112 8.364 -2.509 1.00 . A A . 22 LYS HD2 1 1 7 3666 1 1 22 LYS HD3 H 3.770 7.750 -0.988 1.00 . A A . 22 LYS HD3 1 1 7 3667 1 1 22 LYS HE2 H 5.915 7.386 -1.988 1.00 . A A . 22 LYS HE2 1 1 7 3668 1 1 22 LYS HE3 H 5.292 7.769 -3.590 1.00 . A A . 22 LYS HE3 1 1 7 3669 1 1 22 LYS HG2 H 4.030 5.560 -1.912 1.00 . A A . 22 LYS HG2 1 1 7 3670 1 1 22 LYS HG3 H 3.552 6.115 -3.545 1.00 . A A . 22 LYS HG3 1 1 7 3671 1 1 22 LYS HZ1 H 4.939 10.035 -2.829 1.00 . A A . 22 LYS HZ1 1 1 7 3672 1 1 22 LYS HZ2 H 6.543 9.576 -2.684 1.00 . A A . 22 LYS HZ2 1 1 7 3673 1 1 22 LYS HZ3 H 5.578 9.661 -1.313 1.00 . A A . 22 LYS HZ3 1 1 7 3674 1 1 22 LYS N N 2.500 4.298 -0.271 1.00 . A A . 22 LYS N 1 1 7 3675 1 1 22 LYS NZ N 5.583 9.400 -2.322 1.00 . A A . 22 LYS NZ 1 1 7 3676 1 1 22 LYS O O -0.225 4.595 -1.289 1.00 . A A . 22 LYS O 1 1 7 3677 1 1 23 ARG C C -2.432 6.442 -0.381 1.00 . A A . 23 ARG C 1 1 7 3678 1 1 23 ARG CA C -1.568 6.019 0.767 1.00 . A A . 23 ARG CA 1 1 7 3679 1 1 23 ARG CB C -1.906 6.951 1.935 1.00 . A A . 23 ARG CB 1 1 7 3680 1 1 23 ARG CD C -0.576 5.682 3.649 1.00 . A A . 23 ARG CD 1 1 7 3681 1 1 23 ARG CG C -0.905 7.025 3.077 1.00 . A A . 23 ARG CG 1 1 7 3682 1 1 23 ARG CZ C 1.091 4.999 5.372 1.00 . A A . 23 ARG CZ 1 1 7 3683 1 1 23 ARG H H 0.403 6.740 0.891 1.00 . A A . 23 ARG H 1 1 7 3684 1 1 23 ARG HA H -1.800 5.009 1.047 1.00 . A A . 23 ARG HA 1 1 7 3685 1 1 23 ARG HB2 H -2.017 7.950 1.540 1.00 . A A . 23 ARG HB2 1 1 7 3686 1 1 23 ARG HB3 H -2.860 6.646 2.340 1.00 . A A . 23 ARG HB3 1 1 7 3687 1 1 23 ARG HD2 H -1.503 5.152 3.802 1.00 . A A . 23 ARG HD2 1 1 7 3688 1 1 23 ARG HD3 H 0.041 5.165 2.926 1.00 . A A . 23 ARG HD3 1 1 7 3689 1 1 23 ARG HE H -0.161 6.570 5.480 1.00 . A A . 23 ARG HE 1 1 7 3690 1 1 23 ARG HG2 H 0.008 7.468 2.710 1.00 . A A . 23 ARG HG2 1 1 7 3691 1 1 23 ARG HG3 H -1.314 7.653 3.856 1.00 . A A . 23 ARG HG3 1 1 7 3692 1 1 23 ARG HH11 H 1.358 3.973 3.628 1.00 . A A . 23 ARG HH11 1 1 7 3693 1 1 23 ARG HH12 H 2.339 3.479 4.964 1.00 . A A . 23 ARG HH12 1 1 7 3694 1 1 23 ARG HH21 H 1.224 5.844 7.234 1.00 . A A . 23 ARG HH21 1 1 7 3695 1 1 23 ARG HH22 H 2.273 4.530 6.960 1.00 . A A . 23 ARG HH22 1 1 7 3696 1 1 23 ARG N N -0.170 6.109 0.408 1.00 . A A . 23 ARG N 1 1 7 3697 1 1 23 ARG NE N 0.145 5.821 4.917 1.00 . A A . 23 ARG NE 1 1 7 3698 1 1 23 ARG NH1 N 1.622 4.088 4.591 1.00 . A A . 23 ARG NH1 1 1 7 3699 1 1 23 ARG NH2 N 1.555 5.136 6.603 1.00 . A A . 23 ARG NH2 1 1 7 3700 1 1 23 ARG O O -3.568 6.016 -0.508 1.00 . A A . 23 ARG O 1 1 7 3701 1 1 24 LYS C C -2.783 7.057 -3.474 1.00 . A A . 24 LYS C 1 1 7 3702 1 1 24 LYS CA C -2.685 7.893 -2.247 1.00 . A A . 24 LYS CA 1 1 7 3703 1 1 24 LYS CB C -2.159 9.289 -2.580 1.00 . A A . 24 LYS CB 1 1 7 3704 1 1 24 LYS CD C -3.391 10.512 -0.647 1.00 . A A . 24 LYS CD 1 1 7 3705 1 1 24 LYS CE C -4.426 11.325 -1.458 1.00 . A A . 24 LYS CE 1 1 7 3706 1 1 24 LYS CG C -2.057 10.235 -1.383 1.00 . A A . 24 LYS CG 1 1 7 3707 1 1 24 LYS H H -0.884 7.261 -1.242 1.00 . A A . 24 LYS H 1 1 7 3708 1 1 24 LYS HA H -3.680 7.990 -1.836 1.00 . A A . 24 LYS HA 1 1 7 3709 1 1 24 LYS HB2 H -1.172 9.185 -3.007 1.00 . A A . 24 LYS HB2 1 1 7 3710 1 1 24 LYS HB3 H -2.805 9.737 -3.316 1.00 . A A . 24 LYS HB3 1 1 7 3711 1 1 24 LYS HD2 H -3.840 9.566 -0.386 1.00 . A A . 24 LYS HD2 1 1 7 3712 1 1 24 LYS HD3 H -3.163 11.047 0.263 1.00 . A A . 24 LYS HD3 1 1 7 3713 1 1 24 LYS HE2 H -5.168 11.715 -0.778 1.00 . A A . 24 LYS HE2 1 1 7 3714 1 1 24 LYS HE3 H -3.913 12.155 -1.923 1.00 . A A . 24 LYS HE3 1 1 7 3715 1 1 24 LYS HG2 H -1.370 9.802 -0.671 1.00 . A A . 24 LYS HG2 1 1 7 3716 1 1 24 LYS HG3 H -1.647 11.173 -1.729 1.00 . A A . 24 LYS HG3 1 1 7 3717 1 1 24 LYS HZ1 H -4.494 10.212 -3.265 1.00 . A A . 24 LYS HZ1 1 1 7 3718 1 1 24 LYS HZ2 H -5.852 11.127 -2.964 1.00 . A A . 24 LYS HZ2 1 1 7 3719 1 1 24 LYS HZ3 H -5.618 9.716 -2.104 1.00 . A A . 24 LYS HZ3 1 1 7 3720 1 1 24 LYS N N -1.871 7.236 -1.243 1.00 . A A . 24 LYS N 1 1 7 3721 1 1 24 LYS NZ N -5.126 10.539 -2.508 1.00 . A A . 24 LYS NZ 1 1 7 3722 1 1 24 LYS O O -3.694 7.202 -4.272 1.00 . A A . 24 LYS O 1 1 7 3723 1 1 25 MET C C -2.074 3.943 -4.441 1.00 . A A . 25 MET C 1 1 7 3724 1 1 25 MET CA C -1.787 5.377 -4.783 1.00 . A A . 25 MET CA 1 1 7 3725 1 1 25 MET CB C -0.410 5.459 -5.414 1.00 . A A . 25 MET CB 1 1 7 3726 1 1 25 MET CE C 1.216 9.279 -5.578 1.00 . A A . 25 MET CE 1 1 7 3727 1 1 25 MET CG C 0.057 6.826 -5.904 1.00 . A A . 25 MET CG 1 1 7 3728 1 1 25 MET H H -1.181 6.063 -2.906 1.00 . A A . 25 MET H 1 1 7 3729 1 1 25 MET HA H -2.510 5.741 -5.496 1.00 . A A . 25 MET HA 1 1 7 3730 1 1 25 MET HB2 H 0.318 5.115 -4.694 1.00 . A A . 25 MET HB2 1 1 7 3731 1 1 25 MET HB3 H -0.393 4.776 -6.243 1.00 . A A . 25 MET HB3 1 1 7 3732 1 1 25 MET HE1 H 1.593 10.061 -4.936 1.00 . A A . 25 MET HE1 1 1 7 3733 1 1 25 MET HE2 H 0.439 9.672 -6.218 1.00 . A A . 25 MET HE2 1 1 7 3734 1 1 25 MET HE3 H 2.019 8.887 -6.184 1.00 . A A . 25 MET HE3 1 1 7 3735 1 1 25 MET HG2 H 0.903 6.689 -6.559 1.00 . A A . 25 MET HG2 1 1 7 3736 1 1 25 MET HG3 H -0.747 7.282 -6.461 1.00 . A A . 25 MET HG3 1 1 7 3737 1 1 25 MET N N -1.845 6.183 -3.617 1.00 . A A . 25 MET N 1 1 7 3738 1 1 25 MET O O -2.637 3.191 -5.242 1.00 . A A . 25 MET O 1 1 7 3739 1 1 25 MET SD S 0.551 7.952 -4.583 1.00 . A A . 25 MET SD 1 1 7 3740 1 1 26 LYS C C -0.622 1.440 -3.321 1.00 . A A . 26 LYS C 1 1 7 3741 1 1 26 LYS CA C -1.721 2.250 -2.714 1.00 . A A . 26 LYS CA 1 1 7 3742 1 1 26 LYS CB C -3.087 1.547 -2.741 1.00 . A A . 26 LYS CB 1 1 7 3743 1 1 26 LYS CD C -3.503 1.941 -0.305 1.00 . A A . 26 LYS CD 1 1 7 3744 1 1 26 LYS CE C -4.498 2.366 0.750 1.00 . A A . 26 LYS CE 1 1 7 3745 1 1 26 LYS CG C -4.066 2.087 -1.716 1.00 . A A . 26 LYS CG 1 1 7 3746 1 1 26 LYS H H -1.400 4.280 -2.601 1.00 . A A . 26 LYS H 1 1 7 3747 1 1 26 LYS HA H -1.411 2.365 -1.686 1.00 . A A . 26 LYS HA 1 1 7 3748 1 1 26 LYS HB2 H -3.518 1.666 -3.724 1.00 . A A . 26 LYS HB2 1 1 7 3749 1 1 26 LYS HB3 H -2.939 0.495 -2.550 1.00 . A A . 26 LYS HB3 1 1 7 3750 1 1 26 LYS HD2 H -3.233 0.910 -0.138 1.00 . A A . 26 LYS HD2 1 1 7 3751 1 1 26 LYS HD3 H -2.619 2.558 -0.217 1.00 . A A . 26 LYS HD3 1 1 7 3752 1 1 26 LYS HE2 H -4.041 2.247 1.722 1.00 . A A . 26 LYS HE2 1 1 7 3753 1 1 26 LYS HE3 H -4.744 3.406 0.596 1.00 . A A . 26 LYS HE3 1 1 7 3754 1 1 26 LYS HG2 H -4.251 3.132 -1.919 1.00 . A A . 26 LYS HG2 1 1 7 3755 1 1 26 LYS HG3 H -4.990 1.531 -1.784 1.00 . A A . 26 LYS HG3 1 1 7 3756 1 1 26 LYS HZ1 H -6.377 1.840 1.473 1.00 . A A . 26 LYS HZ1 1 1 7 3757 1 1 26 LYS HZ2 H -5.542 0.538 0.801 1.00 . A A . 26 LYS HZ2 1 1 7 3758 1 1 26 LYS HZ3 H -6.236 1.709 -0.190 1.00 . A A . 26 LYS HZ3 1 1 7 3759 1 1 26 LYS N N -1.713 3.594 -3.228 1.00 . A A . 26 LYS N 1 1 7 3760 1 1 26 LYS NZ N -5.730 1.562 0.705 1.00 . A A . 26 LYS NZ 1 1 7 3761 1 1 26 LYS O O -0.836 0.327 -3.810 1.00 . A A . 26 LYS O 1 1 7 3762 1 1 27 TYR C C 2.948 1.602 -2.962 1.00 . A A . 27 TYR C 1 1 7 3763 1 1 27 TYR CA C 1.741 1.264 -3.761 1.00 . A A . 27 TYR CA 1 1 7 3764 1 1 27 TYR CB C 2.057 1.346 -5.291 1.00 . A A . 27 TYR CB 1 1 7 3765 1 1 27 TYR CD1 C 1.855 3.434 -6.720 1.00 . A A . 27 TYR CD1 1 1 7 3766 1 1 27 TYR CD2 C 3.885 3.110 -5.545 1.00 . A A . 27 TYR CD2 1 1 7 3767 1 1 27 TYR CE1 C 2.360 4.605 -7.251 1.00 . A A . 27 TYR CE1 1 1 7 3768 1 1 27 TYR CE2 C 4.390 4.275 -6.064 1.00 . A A . 27 TYR CE2 1 1 7 3769 1 1 27 TYR CG C 2.601 2.665 -5.857 1.00 . A A . 27 TYR CG 1 1 7 3770 1 1 27 TYR CZ C 3.626 5.018 -6.917 1.00 . A A . 27 TYR CZ 1 1 7 3771 1 1 27 TYR H H 0.645 2.892 -2.860 1.00 . A A . 27 TYR H 1 1 7 3772 1 1 27 TYR HA H 1.519 0.235 -3.515 1.00 . A A . 27 TYR HA 1 1 7 3773 1 1 27 TYR HB2 H 2.813 0.602 -5.496 1.00 . A A . 27 TYR HB2 1 1 7 3774 1 1 27 TYR HB3 H 1.172 1.063 -5.833 1.00 . A A . 27 TYR HB3 1 1 7 3775 1 1 27 TYR HD1 H 0.856 3.122 -6.981 1.00 . A A . 27 TYR HD1 1 1 7 3776 1 1 27 TYR HD2 H 4.490 2.524 -4.870 1.00 . A A . 27 TYR HD2 1 1 7 3777 1 1 27 TYR HE1 H 1.753 5.191 -7.924 1.00 . A A . 27 TYR HE1 1 1 7 3778 1 1 27 TYR HE2 H 5.386 4.599 -5.802 1.00 . A A . 27 TYR HE2 1 1 7 3779 1 1 27 TYR HH H 5.069 6.067 -7.583 1.00 . A A . 27 TYR HH 1 1 7 3780 1 1 27 TYR N N 0.568 2.007 -3.291 1.00 . A A . 27 TYR N 1 1 7 3781 1 1 27 TYR O O 3.018 2.662 -2.341 1.00 . A A . 27 TYR O 1 1 7 3782 1 1 27 TYR OH O 4.122 6.188 -7.429 1.00 . A A . 27 TYR OH 1 1 7 3783 1 1 28 CYS C C 6.079 1.761 -3.044 1.00 . A A . 28 CYS C 1 1 7 3784 1 1 28 CYS CA C 5.099 0.900 -2.278 1.00 . A A . 28 CYS CA 1 1 7 3785 1 1 28 CYS CB C 5.689 -0.466 -1.986 1.00 . A A . 28 CYS CB 1 1 7 3786 1 1 28 CYS H H 3.773 -0.045 -3.595 1.00 . A A . 28 CYS H 1 1 7 3787 1 1 28 CYS HA H 4.862 1.380 -1.341 1.00 . A A . 28 CYS HA 1 1 7 3788 1 1 28 CYS HB2 H 6.005 -0.922 -2.912 1.00 . A A . 28 CYS HB2 1 1 7 3789 1 1 28 CYS HB3 H 6.542 -0.354 -1.333 1.00 . A A . 28 CYS HB3 1 1 7 3790 1 1 28 CYS N N 3.898 0.743 -3.020 1.00 . A A . 28 CYS N 1 1 7 3791 1 1 28 CYS O O 6.408 1.479 -4.193 1.00 . A A . 28 CYS O 1 1 7 3792 1 1 28 CYS SG S 4.511 -1.593 -1.176 1.00 . A A . 28 CYS SG 1 1 7 3793 1 1 29 ALA C C 8.612 3.732 -2.022 1.00 . A A . 29 ALA C 1 1 7 3794 1 1 29 ALA CA C 7.466 3.710 -2.988 1.00 . A A . 29 ALA CA 1 1 7 3795 1 1 29 ALA CB C 6.874 5.081 -3.164 1.00 . A A . 29 ALA CB 1 1 7 3796 1 1 29 ALA H H 6.146 3.003 -1.531 1.00 . A A . 29 ALA H 1 1 7 3797 1 1 29 ALA HA H 7.791 3.321 -3.941 1.00 . A A . 29 ALA HA 1 1 7 3798 1 1 29 ALA HB1 H 6.029 5.029 -3.835 1.00 . A A . 29 ALA HB1 1 1 7 3799 1 1 29 ALA HB2 H 7.619 5.747 -3.574 1.00 . A A . 29 ALA HB2 1 1 7 3800 1 1 29 ALA HB3 H 6.546 5.445 -2.202 1.00 . A A . 29 ALA HB3 1 1 7 3801 1 1 29 ALA N N 6.492 2.819 -2.436 1.00 . A A . 29 ALA N 1 1 7 3802 1 1 29 ALA O O 8.643 2.896 -1.137 1.00 . A A . 29 ALA O 1 1 7 3803 1 1 30 TRP C C 10.357 5.134 0.181 1.00 . A A . 30 TRP C 1 1 7 3804 1 1 30 TRP CA C 10.674 4.675 -1.233 1.00 . A A . 30 TRP CA 1 1 7 3805 1 1 30 TRP CB C 11.882 5.387 -1.823 1.00 . A A . 30 TRP CB 1 1 7 3806 1 1 30 TRP CD1 C 12.400 5.011 -4.289 1.00 . A A . 30 TRP CD1 1 1 7 3807 1 1 30 TRP CD2 C 13.172 3.450 -2.927 1.00 . A A . 30 TRP CD2 1 1 7 3808 1 1 30 TRP CE2 C 13.535 3.097 -4.224 1.00 . A A . 30 TRP CE2 1 1 7 3809 1 1 30 TRP CE3 C 13.528 2.641 -1.887 1.00 . A A . 30 TRP CE3 1 1 7 3810 1 1 30 TRP CG C 12.460 4.666 -2.988 1.00 . A A . 30 TRP CG 1 1 7 3811 1 1 30 TRP CH2 C 14.600 1.144 -3.439 1.00 . A A . 30 TRP CH2 1 1 7 3812 1 1 30 TRP CZ2 C 14.257 1.935 -4.500 1.00 . A A . 30 TRP CZ2 1 1 7 3813 1 1 30 TRP CZ3 C 14.240 1.489 -2.137 1.00 . A A . 30 TRP CZ3 1 1 7 3814 1 1 30 TRP H H 9.407 5.415 -2.762 1.00 . A A . 30 TRP H 1 1 7 3815 1 1 30 TRP HA H 10.912 3.629 -1.149 1.00 . A A . 30 TRP HA 1 1 7 3816 1 1 30 TRP HB2 H 11.610 6.378 -2.139 1.00 . A A . 30 TRP HB2 1 1 7 3817 1 1 30 TRP HB3 H 12.646 5.454 -1.064 1.00 . A A . 30 TRP HB3 1 1 7 3818 1 1 30 TRP HD1 H 11.909 5.901 -4.648 1.00 . A A . 30 TRP HD1 1 1 7 3819 1 1 30 TRP HE1 H 13.160 4.099 -6.027 1.00 . A A . 30 TRP HE1 1 1 7 3820 1 1 30 TRP HE3 H 13.211 2.950 -0.904 1.00 . A A . 30 TRP HE3 1 1 7 3821 1 1 30 TRP HH2 H 15.156 0.232 -3.593 1.00 . A A . 30 TRP HH2 1 1 7 3822 1 1 30 TRP HZ2 H 14.537 1.649 -5.502 1.00 . A A . 30 TRP HZ2 1 1 7 3823 1 1 30 TRP HZ3 H 14.526 0.841 -1.322 1.00 . A A . 30 TRP HZ3 1 1 7 3824 1 1 30 TRP N N 9.516 4.680 -2.121 1.00 . A A . 30 TRP N 1 1 7 3825 1 1 30 TRP NE1 N 13.059 4.073 -5.049 1.00 . A A . 30 TRP NE1 1 1 7 3826 1 1 30 TRP O O 11.214 5.075 1.076 1.00 . A A . 30 TRP O 1 1 7 3827 1 1 31 ASP C C 7.139 6.157 1.415 1.00 . A A . 31 ASP C 1 1 7 3828 1 1 31 ASP CA C 8.615 5.933 1.635 1.00 . A A . 31 ASP CA 1 1 7 3829 1 1 31 ASP CB C 9.298 7.166 2.244 1.00 . A A . 31 ASP CB 1 1 7 3830 1 1 31 ASP CG C 8.838 8.485 1.684 1.00 . A A . 31 ASP CG 1 1 7 3831 1 1 31 ASP H H 8.506 5.689 -0.358 1.00 . A A . 31 ASP H 1 1 7 3832 1 1 31 ASP HA H 8.735 5.077 2.284 1.00 . A A . 31 ASP HA 1 1 7 3833 1 1 31 ASP HB2 H 9.126 7.164 3.310 1.00 . A A . 31 ASP HB2 1 1 7 3834 1 1 31 ASP HB3 H 10.356 7.051 2.058 1.00 . A A . 31 ASP HB3 1 1 7 3835 1 1 31 ASP N N 9.144 5.577 0.377 1.00 . A A . 31 ASP N 1 1 7 3836 1 1 31 ASP O O 6.661 6.056 0.282 1.00 . A A . 31 ASP O 1 1 7 3837 1 1 31 ASP OD1 O 8.119 9.195 2.395 1.00 . A A . 31 ASP OD1 1 1 7 3838 1 1 31 ASP OD2 O 9.208 8.848 0.542 1.00 . A A . 31 ASP OD2 1 1 7 3839 1 1 32 PHE C C 4.452 7.955 2.362 1.00 . A A . 32 PHE C 1 1 7 3840 1 1 32 PHE CA C 4.988 6.527 2.402 1.00 . A A . 32 PHE CA 1 1 7 3841 1 1 32 PHE CB C 4.385 5.779 3.598 1.00 . A A . 32 PHE CB 1 1 7 3842 1 1 32 PHE CD1 C 5.888 5.548 5.604 1.00 . A A . 32 PHE CD1 1 1 7 3843 1 1 32 PHE CD2 C 4.322 7.350 5.582 1.00 . A A . 32 PHE CD2 1 1 7 3844 1 1 32 PHE CE1 C 6.335 5.950 6.844 1.00 . A A . 32 PHE CE1 1 1 7 3845 1 1 32 PHE CE2 C 4.768 7.754 6.817 1.00 . A A . 32 PHE CE2 1 1 7 3846 1 1 32 PHE CG C 4.877 6.238 4.955 1.00 . A A . 32 PHE CG 1 1 7 3847 1 1 32 PHE CZ C 5.774 7.053 7.453 1.00 . A A . 32 PHE CZ 1 1 7 3848 1 1 32 PHE H H 6.957 6.614 3.255 1.00 . A A . 32 PHE H 1 1 7 3849 1 1 32 PHE HA H 4.662 6.018 1.508 1.00 . A A . 32 PHE HA 1 1 7 3850 1 1 32 PHE HB2 H 3.312 5.906 3.583 1.00 . A A . 32 PHE HB2 1 1 7 3851 1 1 32 PHE HB3 H 4.611 4.727 3.500 1.00 . A A . 32 PHE HB3 1 1 7 3852 1 1 32 PHE HD1 H 6.327 4.685 5.127 1.00 . A A . 32 PHE HD1 1 1 7 3853 1 1 32 PHE HD2 H 3.541 7.913 5.092 1.00 . A A . 32 PHE HD2 1 1 7 3854 1 1 32 PHE HE1 H 7.124 5.402 7.339 1.00 . A A . 32 PHE HE1 1 1 7 3855 1 1 32 PHE HE2 H 4.323 8.617 7.289 1.00 . A A . 32 PHE HE2 1 1 7 3856 1 1 32 PHE HZ H 6.122 7.370 8.425 1.00 . A A . 32 PHE HZ 1 1 7 3857 1 1 32 PHE N N 6.444 6.443 2.443 1.00 . A A . 32 PHE N 1 1 7 3858 1 1 32 PHE O O 3.231 8.161 2.266 1.00 . A A . 32 PHE O 1 1 7 3859 1 1 33 THR C C 4.454 10.805 1.131 1.00 . A A . 33 THR C 1 1 7 3860 1 1 33 THR CA C 4.889 10.291 2.513 1.00 . A A . 33 THR CA 1 1 7 3861 1 1 33 THR CB C 6.007 11.164 3.107 1.00 . A A . 33 THR CB 1 1 7 3862 1 1 33 THR CG2 C 5.467 12.506 3.571 1.00 . A A . 33 THR CG2 1 1 7 3863 1 1 33 THR H H 6.289 8.757 2.413 1.00 . A A . 33 THR H 1 1 7 3864 1 1 33 THR HA H 4.037 10.324 3.176 1.00 . A A . 33 THR HA 1 1 7 3865 1 1 33 THR HB H 6.781 11.312 2.369 1.00 . A A . 33 THR HB 1 1 7 3866 1 1 33 THR HG1 H 7.240 9.910 3.861 1.00 . A A . 33 THR HG1 1 1 7 3867 1 1 33 THR HG21 H 4.712 12.317 4.321 1.00 . A A . 33 THR HG21 1 1 7 3868 1 1 33 THR HG22 H 5.027 13.028 2.735 1.00 . A A . 33 THR HG22 1 1 7 3869 1 1 33 THR HG23 H 6.264 13.094 4.000 1.00 . A A . 33 THR HG23 1 1 7 3870 1 1 33 THR N N 5.320 8.923 2.435 1.00 . A A . 33 THR N 1 1 7 3871 1 1 33 THR O O 4.943 10.343 0.096 1.00 . A A . 33 THR O 1 1 7 3872 1 1 33 THR OG1 O 6.552 10.474 4.247 1.00 . A A . 33 THR OG1 1 1 7 3873 1 1 34 PHE C C 2.904 13.795 0.180 1.00 . A A . 34 PHE C 1 1 7 3874 1 1 34 PHE CA C 2.972 12.303 -0.053 1.00 . A A . 34 PHE CA 1 1 7 3875 1 1 34 PHE CB C 1.565 11.724 -0.310 1.00 . A A . 34 PHE CB 1 1 7 3876 1 1 34 PHE CD1 C -0.128 13.301 -1.308 1.00 . A A . 34 PHE CD1 1 1 7 3877 1 1 34 PHE CD2 C 1.064 11.850 -2.770 1.00 . A A . 34 PHE CD2 1 1 7 3878 1 1 34 PHE CE1 C -0.817 13.826 -2.381 1.00 . A A . 34 PHE CE1 1 1 7 3879 1 1 34 PHE CE2 C 0.377 12.373 -3.848 1.00 . A A . 34 PHE CE2 1 1 7 3880 1 1 34 PHE CG C 0.823 12.305 -1.491 1.00 . A A . 34 PHE CG 1 1 7 3881 1 1 34 PHE CZ C -0.564 13.361 -3.653 1.00 . A A . 34 PHE CZ 1 1 7 3882 1 1 34 PHE H H 3.163 12.035 1.991 1.00 . A A . 34 PHE H 1 1 7 3883 1 1 34 PHE HA H 3.616 12.082 -0.891 1.00 . A A . 34 PHE HA 1 1 7 3884 1 1 34 PHE HB2 H 1.649 10.661 -0.476 1.00 . A A . 34 PHE HB2 1 1 7 3885 1 1 34 PHE HB3 H 0.967 11.890 0.572 1.00 . A A . 34 PHE HB3 1 1 7 3886 1 1 34 PHE HD1 H -0.324 13.666 -0.311 1.00 . A A . 34 PHE HD1 1 1 7 3887 1 1 34 PHE HD2 H 1.799 11.074 -2.924 1.00 . A A . 34 PHE HD2 1 1 7 3888 1 1 34 PHE HE1 H -1.554 14.599 -2.226 1.00 . A A . 34 PHE HE1 1 1 7 3889 1 1 34 PHE HE2 H 0.576 12.007 -4.845 1.00 . A A . 34 PHE HE2 1 1 7 3890 1 1 34 PHE HZ H -1.102 13.769 -4.497 1.00 . A A . 34 PHE HZ 1 1 7 3891 1 1 34 PHE N N 3.515 11.709 1.134 1.00 . A A . 34 PHE N 1 1 7 3892 1 1 34 PHE O O 2.736 14.235 1.315 1.00 . A A . 34 PHE O 1 1 7 3893 1 1 35 THR C C 2.424 16.570 -2.043 1.00 . A A . 35 THR C 1 1 7 3894 1 1 35 THR CA C 3.012 16.002 -0.752 1.00 . A A . 35 THR CA 1 1 7 3895 1 1 35 THR CB C 4.419 16.600 -0.503 1.00 . A A . 35 THR CB 1 1 7 3896 1 1 35 THR CG2 C 4.343 18.106 -0.277 1.00 . A A . 35 THR CG2 1 1 7 3897 1 1 35 THR H H 3.261 14.178 -1.732 1.00 . A A . 35 THR H 1 1 7 3898 1 1 35 THR HA H 2.369 16.255 0.078 1.00 . A A . 35 THR HA 1 1 7 3899 1 1 35 THR HB H 5.045 16.396 -1.358 1.00 . A A . 35 THR HB 1 1 7 3900 1 1 35 THR HG1 H 4.282 15.528 1.129 1.00 . A A . 35 THR HG1 1 1 7 3901 1 1 35 THR HG21 H 3.904 18.579 -1.144 1.00 . A A . 35 THR HG21 1 1 7 3902 1 1 35 THR HG22 H 5.337 18.497 -0.121 1.00 . A A . 35 THR HG22 1 1 7 3903 1 1 35 THR HG23 H 3.734 18.310 0.592 1.00 . A A . 35 THR HG23 1 1 7 3904 1 1 35 THR N N 3.078 14.562 -0.847 1.00 . A A . 35 THR N 1 1 7 3905 1 1 35 THR O O 1.985 15.799 -2.928 1.00 . A A . 35 THR O 1 1 7 3906 1 1 35 THR OG1 O 4.998 15.984 0.664 1.00 . A A . 35 THR OG1 1 1 8 3907 1 1 1 ASP C C 6.700 -10.162 1.190 1.00 . A A . 1 ASP C 1 1 8 3908 1 1 1 ASP CA C 7.401 -11.491 1.294 1.00 . A A . 1 ASP CA 1 1 8 3909 1 1 1 ASP CB C 7.409 -12.198 -0.074 1.00 . A A . 1 ASP CB 1 1 8 3910 1 1 1 ASP CG C 6.033 -12.386 -0.655 1.00 . A A . 1 ASP CG 1 1 8 3911 1 1 1 ASP H1 H 5.752 -12.500 2.008 1.00 . A A . 1 ASP H1 1 1 8 3912 1 1 1 ASP H2 H 6.672 -11.769 3.197 1.00 . A A . 1 ASP H2 1 1 8 3913 1 1 1 ASP H3 H 7.224 -13.197 2.483 1.00 . A A . 1 ASP H3 1 1 8 3914 1 1 1 ASP HA H 8.416 -11.318 1.621 1.00 . A A . 1 ASP HA 1 1 8 3915 1 1 1 ASP HB2 H 7.990 -11.615 -0.772 1.00 . A A . 1 ASP HB2 1 1 8 3916 1 1 1 ASP HB3 H 7.869 -13.169 0.037 1.00 . A A . 1 ASP HB3 1 1 8 3917 1 1 1 ASP N N 6.729 -12.303 2.307 1.00 . A A . 1 ASP N 1 1 8 3918 1 1 1 ASP O O 5.497 -10.062 1.447 1.00 . A A . 1 ASP O 1 1 8 3919 1 1 1 ASP OD1 O 5.706 -11.761 -1.689 1.00 . A A . 1 ASP OD1 1 1 8 3920 1 1 1 ASP OD2 O 5.245 -13.163 -0.096 1.00 . A A . 1 ASP OD2 1 1 8 3921 1 1 2 CYS C C 6.848 -7.344 -0.653 1.00 . A A . 2 CYS C 1 1 8 3922 1 1 2 CYS CA C 6.935 -7.822 0.772 1.00 . A A . 2 CYS CA 1 1 8 3923 1 1 2 CYS CB C 7.837 -6.917 1.569 1.00 . A A . 2 CYS CB 1 1 8 3924 1 1 2 CYS H H 8.390 -9.265 0.638 1.00 . A A . 2 CYS H 1 1 8 3925 1 1 2 CYS HA H 5.950 -7.751 1.200 1.00 . A A . 2 CYS HA 1 1 8 3926 1 1 2 CYS HB2 H 7.556 -5.902 1.337 1.00 . A A . 2 CYS HB2 1 1 8 3927 1 1 2 CYS HB3 H 7.700 -7.096 2.623 1.00 . A A . 2 CYS HB3 1 1 8 3928 1 1 2 CYS N N 7.439 -9.151 0.853 1.00 . A A . 2 CYS N 1 1 8 3929 1 1 2 CYS O O 7.281 -8.026 -1.597 1.00 . A A . 2 CYS O 1 1 8 3930 1 1 2 CYS SG S 9.601 -7.088 1.158 1.00 . A A . 2 CYS SG 1 1 8 3931 1 1 3 ARG C C 7.165 -4.457 -2.137 1.00 . A A . 3 ARG C 1 1 8 3932 1 1 3 ARG CA C 6.124 -5.536 -2.043 1.00 . A A . 3 ARG CA 1 1 8 3933 1 1 3 ARG CB C 4.725 -4.922 -2.181 1.00 . A A . 3 ARG CB 1 1 8 3934 1 1 3 ARG CD C 3.486 -7.148 -2.368 1.00 . A A . 3 ARG CD 1 1 8 3935 1 1 3 ARG CG C 3.722 -5.769 -2.958 1.00 . A A . 3 ARG CG 1 1 8 3936 1 1 3 ARG CZ C 1.712 -7.778 -0.732 1.00 . A A . 3 ARG CZ 1 1 8 3937 1 1 3 ARG H H 5.866 -5.786 0.000 1.00 . A A . 3 ARG H 1 1 8 3938 1 1 3 ARG HA H 6.270 -6.250 -2.839 1.00 . A A . 3 ARG HA 1 1 8 3939 1 1 3 ARG HB2 H 4.331 -4.756 -1.189 1.00 . A A . 3 ARG HB2 1 1 8 3940 1 1 3 ARG HB3 H 4.819 -3.965 -2.674 1.00 . A A . 3 ARG HB3 1 1 8 3941 1 1 3 ARG HD2 H 2.855 -7.692 -3.052 1.00 . A A . 3 ARG HD2 1 1 8 3942 1 1 3 ARG HD3 H 4.441 -7.645 -2.288 1.00 . A A . 3 ARG HD3 1 1 8 3943 1 1 3 ARG HE H 3.332 -6.612 -0.351 1.00 . A A . 3 ARG HE 1 1 8 3944 1 1 3 ARG HG2 H 2.776 -5.248 -2.982 1.00 . A A . 3 ARG HG2 1 1 8 3945 1 1 3 ARG HG3 H 4.089 -5.878 -3.967 1.00 . A A . 3 ARG HG3 1 1 8 3946 1 1 3 ARG HH11 H 1.324 -8.437 -2.642 1.00 . A A . 3 ARG HH11 1 1 8 3947 1 1 3 ARG HH12 H 0.179 -8.924 -1.489 1.00 . A A . 3 ARG HH12 1 1 8 3948 1 1 3 ARG HH21 H 1.765 -7.330 1.263 1.00 . A A . 3 ARG HH21 1 1 8 3949 1 1 3 ARG HH22 H 0.419 -8.242 0.791 1.00 . A A . 3 ARG HH22 1 1 8 3950 1 1 3 ARG N N 6.255 -6.215 -0.798 1.00 . A A . 3 ARG N 1 1 8 3951 1 1 3 ARG NE N 2.847 -7.121 -1.041 1.00 . A A . 3 ARG NE 1 1 8 3952 1 1 3 ARG NH1 N 1.026 -8.421 -1.684 1.00 . A A . 3 ARG NH1 1 1 8 3953 1 1 3 ARG NH2 N 1.271 -7.790 0.519 1.00 . A A . 3 ARG NH2 1 1 8 3954 1 1 3 ARG O O 7.423 -3.730 -1.160 1.00 . A A . 3 ARG O 1 1 8 3955 1 1 4 TYR C C 8.014 -2.219 -4.196 1.00 . A A . 4 TYR C 1 1 8 3956 1 1 4 TYR CA C 8.731 -3.389 -3.553 1.00 . A A . 4 TYR CA 1 1 8 3957 1 1 4 TYR CB C 9.791 -3.972 -4.464 1.00 . A A . 4 TYR CB 1 1 8 3958 1 1 4 TYR CD1 C 10.433 -6.364 -3.996 1.00 . A A . 4 TYR CD1 1 1 8 3959 1 1 4 TYR CD2 C 11.686 -4.644 -2.936 1.00 . A A . 4 TYR CD2 1 1 8 3960 1 1 4 TYR CE1 C 11.205 -7.315 -3.370 1.00 . A A . 4 TYR CE1 1 1 8 3961 1 1 4 TYR CE2 C 12.466 -5.592 -2.309 1.00 . A A . 4 TYR CE2 1 1 8 3962 1 1 4 TYR CG C 10.655 -5.015 -3.792 1.00 . A A . 4 TYR CG 1 1 8 3963 1 1 4 TYR CZ C 12.218 -6.928 -2.532 1.00 . A A . 4 TYR CZ 1 1 8 3964 1 1 4 TYR H H 7.615 -5.006 -4.001 1.00 . A A . 4 TYR H 1 1 8 3965 1 1 4 TYR HA H 9.191 -3.073 -2.629 1.00 . A A . 4 TYR HA 1 1 8 3966 1 1 4 TYR HB2 H 9.303 -4.430 -5.312 1.00 . A A . 4 TYR HB2 1 1 8 3967 1 1 4 TYR HB3 H 10.414 -3.174 -4.814 1.00 . A A . 4 TYR HB3 1 1 8 3968 1 1 4 TYR HD1 H 9.636 -6.665 -4.657 1.00 . A A . 4 TYR HD1 1 1 8 3969 1 1 4 TYR HD2 H 11.876 -3.596 -2.754 1.00 . A A . 4 TYR HD2 1 1 8 3970 1 1 4 TYR HE1 H 11.017 -8.364 -3.540 1.00 . A A . 4 TYR HE1 1 1 8 3971 1 1 4 TYR HE2 H 13.262 -5.281 -1.650 1.00 . A A . 4 TYR HE2 1 1 8 3972 1 1 4 TYR HH H 12.972 -7.683 -0.950 1.00 . A A . 4 TYR HH 1 1 8 3973 1 1 4 TYR N N 7.785 -4.380 -3.269 1.00 . A A . 4 TYR N 1 1 8 3974 1 1 4 TYR O O 6.784 -2.117 -4.096 1.00 . A A . 4 TYR O 1 1 8 3975 1 1 4 TYR OH O 12.979 -7.887 -1.896 1.00 . A A . 4 TYR OH 1 1 8 3976 1 1 5 MET C C 7.164 -0.536 -6.489 1.00 . A A . 5 MET C 1 1 8 3977 1 1 5 MET CA C 8.144 -0.154 -5.409 1.00 . A A . 5 MET CA 1 1 8 3978 1 1 5 MET CB C 9.205 0.800 -5.953 1.00 . A A . 5 MET CB 1 1 8 3979 1 1 5 MET CE C 9.322 4.922 -6.115 1.00 . A A . 5 MET CE 1 1 8 3980 1 1 5 MET CG C 8.747 2.233 -6.025 1.00 . A A . 5 MET CG 1 1 8 3981 1 1 5 MET H H 9.706 -1.498 -4.967 1.00 . A A . 5 MET H 1 1 8 3982 1 1 5 MET HA H 7.578 0.347 -4.635 1.00 . A A . 5 MET HA 1 1 8 3983 1 1 5 MET HB2 H 10.086 0.769 -5.332 1.00 . A A . 5 MET HB2 1 1 8 3984 1 1 5 MET HB3 H 9.477 0.484 -6.949 1.00 . A A . 5 MET HB3 1 1 8 3985 1 1 5 MET HE1 H 8.358 5.055 -6.581 1.00 . A A . 5 MET HE1 1 1 8 3986 1 1 5 MET HE2 H 9.995 5.713 -6.410 1.00 . A A . 5 MET HE2 1 1 8 3987 1 1 5 MET HE3 H 9.219 4.931 -5.038 1.00 . A A . 5 MET HE3 1 1 8 3988 1 1 5 MET HG2 H 7.909 2.301 -6.703 1.00 . A A . 5 MET HG2 1 1 8 3989 1 1 5 MET HG3 H 8.435 2.530 -5.037 1.00 . A A . 5 MET HG3 1 1 8 3990 1 1 5 MET N N 8.743 -1.345 -4.846 1.00 . A A . 5 MET N 1 1 8 3991 1 1 5 MET O O 7.435 -1.438 -7.293 1.00 . A A . 5 MET O 1 1 8 3992 1 1 5 MET SD S 10.034 3.350 -6.584 1.00 . A A . 5 MET SD 1 1 8 3993 1 1 6 PHE C C 4.136 -1.395 -7.064 1.00 . A A . 6 PHE C 1 1 8 3994 1 1 6 PHE CA C 4.889 -0.108 -7.374 1.00 . A A . 6 PHE CA 1 1 8 3995 1 1 6 PHE CB C 5.312 -0.033 -8.854 1.00 . A A . 6 PHE CB 1 1 8 3996 1 1 6 PHE CD1 C 5.092 2.350 -9.573 1.00 . A A . 6 PHE CD1 1 1 8 3997 1 1 6 PHE CD2 C 7.273 1.472 -9.239 1.00 . A A . 6 PHE CD2 1 1 8 3998 1 1 6 PHE CE1 C 5.638 3.569 -9.914 1.00 . A A . 6 PHE CE1 1 1 8 3999 1 1 6 PHE CE2 C 7.827 2.679 -9.575 1.00 . A A . 6 PHE CE2 1 1 8 4000 1 1 6 PHE CG C 5.904 1.291 -9.232 1.00 . A A . 6 PHE CG 1 1 8 4001 1 1 6 PHE CZ C 7.011 3.736 -9.914 1.00 . A A . 6 PHE CZ 1 1 8 4002 1 1 6 PHE H H 5.891 0.781 -5.733 1.00 . A A . 6 PHE H 1 1 8 4003 1 1 6 PHE HA H 4.198 0.700 -7.174 1.00 . A A . 6 PHE HA 1 1 8 4004 1 1 6 PHE HB2 H 6.053 -0.795 -9.045 1.00 . A A . 6 PHE HB2 1 1 8 4005 1 1 6 PHE HB3 H 4.451 -0.210 -9.479 1.00 . A A . 6 PHE HB3 1 1 8 4006 1 1 6 PHE HD1 H 4.020 2.216 -9.566 1.00 . A A . 6 PHE HD1 1 1 8 4007 1 1 6 PHE HD2 H 7.914 0.644 -8.972 1.00 . A A . 6 PHE HD2 1 1 8 4008 1 1 6 PHE HE1 H 4.990 4.390 -10.180 1.00 . A A . 6 PHE HE1 1 1 8 4009 1 1 6 PHE HE2 H 8.902 2.784 -9.559 1.00 . A A . 6 PHE HE2 1 1 8 4010 1 1 6 PHE HZ H 7.442 4.690 -10.181 1.00 . A A . 6 PHE HZ 1 1 8 4011 1 1 6 PHE N N 6.005 0.111 -6.447 1.00 . A A . 6 PHE N 1 1 8 4012 1 1 6 PHE O O 3.279 -1.828 -7.837 1.00 . A A . 6 PHE O 1 1 8 4013 1 1 7 GLY C C 2.561 -2.677 -4.627 1.00 . A A . 7 GLY C 1 1 8 4014 1 1 7 GLY CA C 3.703 -3.139 -5.492 1.00 . A A . 7 GLY CA 1 1 8 4015 1 1 7 GLY H H 5.196 -1.677 -5.392 1.00 . A A . 7 GLY H 1 1 8 4016 1 1 7 GLY HA2 H 3.319 -3.671 -6.349 1.00 . A A . 7 GLY HA2 1 1 8 4017 1 1 7 GLY HA3 H 4.343 -3.787 -4.913 1.00 . A A . 7 GLY HA3 1 1 8 4018 1 1 7 GLY N N 4.447 -1.997 -5.939 1.00 . A A . 7 GLY N 1 1 8 4019 1 1 7 GLY O O 2.719 -1.704 -3.897 1.00 . A A . 7 GLY O 1 1 8 4020 1 1 8 ASP C C 0.399 -3.033 -2.499 1.00 . A A . 8 ASP C 1 1 8 4021 1 1 8 ASP CA C 0.209 -2.973 -3.979 1.00 . A A . 8 ASP CA 1 1 8 4022 1 1 8 ASP CB C -0.947 -3.877 -4.377 1.00 . A A . 8 ASP CB 1 1 8 4023 1 1 8 ASP CG C -2.230 -3.652 -3.586 1.00 . A A . 8 ASP CG 1 1 8 4024 1 1 8 ASP H H 1.414 -4.160 -5.270 1.00 . A A . 8 ASP H 1 1 8 4025 1 1 8 ASP HA H -0.045 -1.960 -4.256 1.00 . A A . 8 ASP HA 1 1 8 4026 1 1 8 ASP HB2 H -1.145 -3.622 -5.400 1.00 . A A . 8 ASP HB2 1 1 8 4027 1 1 8 ASP HB3 H -0.645 -4.911 -4.296 1.00 . A A . 8 ASP HB3 1 1 8 4028 1 1 8 ASP N N 1.433 -3.352 -4.713 1.00 . A A . 8 ASP N 1 1 8 4029 1 1 8 ASP O O 1.113 -3.910 -1.986 1.00 . A A . 8 ASP O 1 1 8 4030 1 1 8 ASP OD1 O -3.016 -2.753 -3.941 1.00 . A A . 8 ASP OD1 1 1 8 4031 1 1 8 ASP OD2 O -2.488 -4.397 -2.612 1.00 . A A . 8 ASP OD2 1 1 8 4032 1 1 9 CYS C C -1.337 -1.512 0.254 1.00 . A A . 9 CYS C 1 1 8 4033 1 1 9 CYS CA C -0.108 -2.110 -0.389 1.00 . A A . 9 CYS CA 1 1 8 4034 1 1 9 CYS CB C 1.106 -1.278 -0.051 1.00 . A A . 9 CYS CB 1 1 8 4035 1 1 9 CYS H H -0.819 -1.480 -2.252 1.00 . A A . 9 CYS H 1 1 8 4036 1 1 9 CYS HA H 0.052 -3.112 -0.019 1.00 . A A . 9 CYS HA 1 1 8 4037 1 1 9 CYS HB2 H 1.395 -1.407 0.980 1.00 . A A . 9 CYS HB2 1 1 8 4038 1 1 9 CYS HB3 H 1.867 -1.660 -0.719 1.00 . A A . 9 CYS HB3 1 1 8 4039 1 1 9 CYS N N -0.245 -2.143 -1.804 1.00 . A A . 9 CYS N 1 1 8 4040 1 1 9 CYS O O -2.103 -0.764 -0.401 1.00 . A A . 9 CYS O 1 1 8 4041 1 1 9 CYS SG S 0.915 0.505 -0.414 1.00 . A A . 9 CYS SG 1 1 8 4042 1 1 10 GLU C C -1.980 -0.653 3.510 1.00 . A A . 10 GLU C 1 1 8 4043 1 1 10 GLU CA C -2.600 -1.264 2.278 1.00 . A A . 10 GLU CA 1 1 8 4044 1 1 10 GLU CB C -3.664 -2.259 2.663 1.00 . A A . 10 GLU CB 1 1 8 4045 1 1 10 GLU CD C -5.585 -3.633 1.909 1.00 . A A . 10 GLU CD 1 1 8 4046 1 1 10 GLU CG C -4.383 -2.867 1.486 1.00 . A A . 10 GLU CG 1 1 8 4047 1 1 10 GLU H H -1.044 -2.582 1.929 1.00 . A A . 10 GLU H 1 1 8 4048 1 1 10 GLU HA H -3.041 -0.478 1.685 1.00 . A A . 10 GLU HA 1 1 8 4049 1 1 10 GLU HB2 H -3.200 -3.053 3.228 1.00 . A A . 10 GLU HB2 1 1 8 4050 1 1 10 GLU HB3 H -4.383 -1.759 3.290 1.00 . A A . 10 GLU HB3 1 1 8 4051 1 1 10 GLU HG2 H -4.690 -2.079 0.814 1.00 . A A . 10 GLU HG2 1 1 8 4052 1 1 10 GLU HG3 H -3.708 -3.534 0.972 1.00 . A A . 10 GLU HG3 1 1 8 4053 1 1 10 GLU N N -1.569 -1.869 1.495 1.00 . A A . 10 GLU N 1 1 8 4054 1 1 10 GLU O O -2.412 0.397 3.988 1.00 . A A . 10 GLU O 1 1 8 4055 1 1 10 GLU OE1 O -5.452 -4.806 2.302 1.00 . A A . 10 GLU OE1 1 1 8 4056 1 1 10 GLU OE2 O -6.708 -3.076 1.848 1.00 . A A . 10 GLU OE2 1 1 8 4057 1 1 11 LYS C C 1.240 -0.873 4.787 1.00 . A A . 11 LYS C 1 1 8 4058 1 1 11 LYS CA C -0.224 -0.812 5.124 1.00 . A A . 11 LYS CA 1 1 8 4059 1 1 11 LYS CB C -0.549 -1.600 6.400 1.00 . A A . 11 LYS CB 1 1 8 4060 1 1 11 LYS CD C -0.698 -3.814 7.564 1.00 . A A . 11 LYS CD 1 1 8 4061 1 1 11 LYS CE C -0.633 -5.316 7.385 1.00 . A A . 11 LYS CE 1 1 8 4062 1 1 11 LYS CG C -0.396 -3.100 6.263 1.00 . A A . 11 LYS CG 1 1 8 4063 1 1 11 LYS H H -0.624 -2.144 3.618 1.00 . A A . 11 LYS H 1 1 8 4064 1 1 11 LYS HA H -0.507 0.221 5.257 1.00 . A A . 11 LYS HA 1 1 8 4065 1 1 11 LYS HB2 H 0.114 -1.267 7.185 1.00 . A A . 11 LYS HB2 1 1 8 4066 1 1 11 LYS HB3 H -1.564 -1.381 6.692 1.00 . A A . 11 LYS HB3 1 1 8 4067 1 1 11 LYS HD2 H 0.030 -3.519 8.305 1.00 . A A . 11 LYS HD2 1 1 8 4068 1 1 11 LYS HD3 H -1.689 -3.541 7.895 1.00 . A A . 11 LYS HD3 1 1 8 4069 1 1 11 LYS HE2 H -1.438 -5.622 6.734 1.00 . A A . 11 LYS HE2 1 1 8 4070 1 1 11 LYS HE3 H 0.311 -5.569 6.927 1.00 . A A . 11 LYS HE3 1 1 8 4071 1 1 11 LYS HG2 H -1.082 -3.442 5.505 1.00 . A A . 11 LYS HG2 1 1 8 4072 1 1 11 LYS HG3 H 0.616 -3.321 5.960 1.00 . A A . 11 LYS HG3 1 1 8 4073 1 1 11 LYS HZ1 H -1.670 -5.842 9.126 1.00 . A A . 11 LYS HZ1 1 1 8 4074 1 1 11 LYS HZ2 H 0.021 -5.760 9.300 1.00 . A A . 11 LYS HZ2 1 1 8 4075 1 1 11 LYS HZ3 H -0.684 -7.062 8.483 1.00 . A A . 11 LYS HZ3 1 1 8 4076 1 1 11 LYS N N -0.955 -1.297 4.008 1.00 . A A . 11 LYS N 1 1 8 4077 1 1 11 LYS NZ N -0.759 -6.039 8.664 1.00 . A A . 11 LYS NZ 1 1 8 4078 1 1 11 LYS O O 1.618 -1.429 3.754 1.00 . A A . 11 LYS O 1 1 8 4079 1 1 12 ASP C C 4.174 -1.604 5.448 1.00 . A A . 12 ASP C 1 1 8 4080 1 1 12 ASP CA C 3.499 -0.269 5.355 1.00 . A A . 12 ASP CA 1 1 8 4081 1 1 12 ASP CB C 4.209 0.743 6.241 1.00 . A A . 12 ASP CB 1 1 8 4082 1 1 12 ASP CG C 3.676 2.126 6.065 1.00 . A A . 12 ASP CG 1 1 8 4083 1 1 12 ASP H H 1.709 -0.031 6.501 1.00 . A A . 12 ASP H 1 1 8 4084 1 1 12 ASP HA H 3.581 0.061 4.330 1.00 . A A . 12 ASP HA 1 1 8 4085 1 1 12 ASP HB2 H 4.091 0.463 7.275 1.00 . A A . 12 ASP HB2 1 1 8 4086 1 1 12 ASP HB3 H 5.260 0.746 5.990 1.00 . A A . 12 ASP HB3 1 1 8 4087 1 1 12 ASP N N 2.066 -0.359 5.644 1.00 . A A . 12 ASP N 1 1 8 4088 1 1 12 ASP O O 5.282 -1.784 4.930 1.00 . A A . 12 ASP O 1 1 8 4089 1 1 12 ASP OD1 O 3.869 2.708 4.985 1.00 . A A . 12 ASP OD1 1 1 8 4090 1 1 12 ASP OD2 O 3.021 2.656 7.009 1.00 . A A . 12 ASP OD2 1 1 8 4091 1 1 13 GLU C C 4.027 -4.620 4.941 1.00 . A A . 13 GLU C 1 1 8 4092 1 1 13 GLU CA C 4.022 -3.900 6.237 1.00 . A A . 13 GLU CA 1 1 8 4093 1 1 13 GLU CB C 3.198 -4.713 7.181 1.00 . A A . 13 GLU CB 1 1 8 4094 1 1 13 GLU CD C 2.610 -5.212 9.552 1.00 . A A . 13 GLU CD 1 1 8 4095 1 1 13 GLU CG C 3.205 -4.214 8.607 1.00 . A A . 13 GLU CG 1 1 8 4096 1 1 13 GLU H H 2.609 -2.315 6.426 1.00 . A A . 13 GLU H 1 1 8 4097 1 1 13 GLU HA H 5.028 -3.836 6.623 1.00 . A A . 13 GLU HA 1 1 8 4098 1 1 13 GLU HB2 H 2.201 -4.696 6.759 1.00 . A A . 13 GLU HB2 1 1 8 4099 1 1 13 GLU HB3 H 3.554 -5.731 7.136 1.00 . A A . 13 GLU HB3 1 1 8 4100 1 1 13 GLU HG2 H 4.223 -4.014 8.907 1.00 . A A . 13 GLU HG2 1 1 8 4101 1 1 13 GLU HG3 H 2.627 -3.303 8.659 1.00 . A A . 13 GLU HG3 1 1 8 4102 1 1 13 GLU N N 3.495 -2.553 6.076 1.00 . A A . 13 GLU N 1 1 8 4103 1 1 13 GLU O O 4.794 -5.572 4.752 1.00 . A A . 13 GLU O 1 1 8 4104 1 1 13 GLU OE1 O 1.428 -5.086 9.913 1.00 . A A . 13 GLU OE1 1 1 8 4105 1 1 13 GLU OE2 O 3.317 -6.146 9.951 1.00 . A A . 13 GLU OE2 1 1 8 4106 1 1 14 ASP C C 4.259 -4.525 1.949 1.00 . A A . 14 ASP C 1 1 8 4107 1 1 14 ASP CA C 3.037 -4.821 2.765 1.00 . A A . 14 ASP CA 1 1 8 4108 1 1 14 ASP CB C 1.811 -4.362 1.988 1.00 . A A . 14 ASP CB 1 1 8 4109 1 1 14 ASP CG C 0.485 -4.663 2.631 1.00 . A A . 14 ASP CG 1 1 8 4110 1 1 14 ASP H H 2.575 -3.425 4.253 1.00 . A A . 14 ASP H 1 1 8 4111 1 1 14 ASP HA H 2.969 -5.884 2.929 1.00 . A A . 14 ASP HA 1 1 8 4112 1 1 14 ASP HB2 H 1.865 -3.307 1.770 1.00 . A A . 14 ASP HB2 1 1 8 4113 1 1 14 ASP HB3 H 1.863 -4.928 1.078 1.00 . A A . 14 ASP HB3 1 1 8 4114 1 1 14 ASP N N 3.152 -4.193 4.049 1.00 . A A . 14 ASP N 1 1 8 4115 1 1 14 ASP O O 4.624 -5.292 1.075 1.00 . A A . 14 ASP O 1 1 8 4116 1 1 14 ASP OD1 O -0.206 -3.728 3.055 1.00 . A A . 14 ASP OD1 1 1 8 4117 1 1 14 ASP OD2 O 0.100 -5.840 2.703 1.00 . A A . 14 ASP OD2 1 1 8 4118 1 1 15 CYS C C 7.294 -3.445 2.291 1.00 . A A . 15 CYS C 1 1 8 4119 1 1 15 CYS CA C 6.068 -3.005 1.550 1.00 . A A . 15 CYS CA 1 1 8 4120 1 1 15 CYS CB C 6.085 -1.501 1.434 1.00 . A A . 15 CYS CB 1 1 8 4121 1 1 15 CYS H H 4.588 -2.888 3.010 1.00 . A A . 15 CYS H 1 1 8 4122 1 1 15 CYS HA H 6.057 -3.431 0.558 1.00 . A A . 15 CYS HA 1 1 8 4123 1 1 15 CYS HB2 H 6.351 -1.063 2.381 1.00 . A A . 15 CYS HB2 1 1 8 4124 1 1 15 CYS HB3 H 6.848 -1.232 0.718 1.00 . A A . 15 CYS HB3 1 1 8 4125 1 1 15 CYS N N 4.900 -3.429 2.256 1.00 . A A . 15 CYS N 1 1 8 4126 1 1 15 CYS O O 7.247 -3.700 3.496 1.00 . A A . 15 CYS O 1 1 8 4127 1 1 15 CYS SG S 4.521 -0.830 0.838 1.00 . A A . 15 CYS SG 1 1 8 4128 1 1 16 CYS C C 10.201 -2.818 3.048 1.00 . A A . 16 CYS C 1 1 8 4129 1 1 16 CYS CA C 9.642 -3.920 2.128 1.00 . A A . 16 CYS CA 1 1 8 4130 1 1 16 CYS CB C 10.586 -4.232 1.001 1.00 . A A . 16 CYS CB 1 1 8 4131 1 1 16 CYS H H 8.281 -3.495 0.602 1.00 . A A . 16 CYS H 1 1 8 4132 1 1 16 CYS HA H 9.508 -4.816 2.714 1.00 . A A . 16 CYS HA 1 1 8 4133 1 1 16 CYS HB2 H 10.784 -3.334 0.441 1.00 . A A . 16 CYS HB2 1 1 8 4134 1 1 16 CYS HB3 H 11.517 -4.574 1.417 1.00 . A A . 16 CYS HB3 1 1 8 4135 1 1 16 CYS N N 8.361 -3.576 1.577 1.00 . A A . 16 CYS N 1 1 8 4136 1 1 16 CYS O O 9.606 -1.740 3.188 1.00 . A A . 16 CYS O 1 1 8 4137 1 1 16 CYS SG S 9.965 -5.541 -0.097 1.00 . A A . 16 CYS SG 1 1 8 4138 1 1 17 LYS C C 12.206 -0.844 4.249 1.00 . A A . 17 LYS C 1 1 8 4139 1 1 17 LYS CA C 11.980 -2.271 4.671 1.00 . A A . 17 LYS CA 1 1 8 4140 1 1 17 LYS CB C 13.316 -2.867 5.066 1.00 . A A . 17 LYS CB 1 1 8 4141 1 1 17 LYS CD C 12.473 -4.460 6.820 1.00 . A A . 17 LYS CD 1 1 8 4142 1 1 17 LYS CE C 12.494 -5.903 7.310 1.00 . A A . 17 LYS CE 1 1 8 4143 1 1 17 LYS CG C 13.262 -4.297 5.531 1.00 . A A . 17 LYS CG 1 1 8 4144 1 1 17 LYS H H 11.838 -3.879 3.285 1.00 . A A . 17 LYS H 1 1 8 4145 1 1 17 LYS HA H 11.345 -2.280 5.539 1.00 . A A . 17 LYS HA 1 1 8 4146 1 1 17 LYS HB2 H 13.981 -2.824 4.216 1.00 . A A . 17 LYS HB2 1 1 8 4147 1 1 17 LYS HB3 H 13.731 -2.269 5.863 1.00 . A A . 17 LYS HB3 1 1 8 4148 1 1 17 LYS HD2 H 12.910 -3.828 7.578 1.00 . A A . 17 LYS HD2 1 1 8 4149 1 1 17 LYS HD3 H 11.449 -4.162 6.646 1.00 . A A . 17 LYS HD3 1 1 8 4150 1 1 17 LYS HE2 H 11.841 -5.992 8.164 1.00 . A A . 17 LYS HE2 1 1 8 4151 1 1 17 LYS HE3 H 12.132 -6.535 6.513 1.00 . A A . 17 LYS HE3 1 1 8 4152 1 1 17 LYS HG2 H 12.789 -4.881 4.756 1.00 . A A . 17 LYS HG2 1 1 8 4153 1 1 17 LYS HG3 H 14.279 -4.620 5.664 1.00 . A A . 17 LYS HG3 1 1 8 4154 1 1 17 LYS HZ1 H 13.851 -7.337 8.010 1.00 . A A . 17 LYS HZ1 1 1 8 4155 1 1 17 LYS HZ2 H 14.238 -5.775 8.476 1.00 . A A . 17 LYS HZ2 1 1 8 4156 1 1 17 LYS HZ3 H 14.520 -6.285 6.895 1.00 . A A . 17 LYS HZ3 1 1 8 4157 1 1 17 LYS N N 11.359 -3.092 3.619 1.00 . A A . 17 LYS N 1 1 8 4158 1 1 17 LYS NZ N 13.856 -6.345 7.695 1.00 . A A . 17 LYS NZ 1 1 8 4159 1 1 17 LYS O O 11.742 0.091 4.892 1.00 . A A . 17 LYS O 1 1 8 4160 1 1 18 HIS C C 12.118 1.396 2.029 1.00 . A A . 18 HIS C 1 1 8 4161 1 1 18 HIS CA C 13.286 0.630 2.649 1.00 . A A . 18 HIS CA 1 1 8 4162 1 1 18 HIS CB C 14.427 0.525 1.627 1.00 . A A . 18 HIS CB 1 1 8 4163 1 1 18 HIS CD2 C 16.528 0.655 3.118 1.00 . A A . 18 HIS CD2 1 1 8 4164 1 1 18 HIS CE1 C 17.541 -1.136 2.478 1.00 . A A . 18 HIS CE1 1 1 8 4165 1 1 18 HIS CG C 15.734 0.069 2.197 1.00 . A A . 18 HIS CG 1 1 8 4166 1 1 18 HIS H H 13.187 -1.522 2.719 1.00 . A A . 18 HIS H 1 1 8 4167 1 1 18 HIS HA H 13.648 1.199 3.491 1.00 . A A . 18 HIS HA 1 1 8 4168 1 1 18 HIS HB2 H 14.146 -0.179 0.859 1.00 . A A . 18 HIS HB2 1 1 8 4169 1 1 18 HIS HB3 H 14.579 1.494 1.174 1.00 . A A . 18 HIS HB3 1 1 8 4170 1 1 18 HIS HD1 H 16.100 -1.730 1.140 1.00 . A A . 18 HIS HD1 1 1 8 4171 1 1 18 HIS HD2 H 16.322 1.573 3.645 1.00 . A A . 18 HIS HD2 1 1 8 4172 1 1 18 HIS HE1 H 18.270 -1.927 2.370 1.00 . A A . 18 HIS HE1 1 1 8 4173 1 1 18 HIS N N 12.906 -0.692 3.167 1.00 . A A . 18 HIS N 1 1 8 4174 1 1 18 HIS ND1 N 16.394 -1.068 1.803 1.00 . A A . 18 HIS ND1 1 1 8 4175 1 1 18 HIS NE2 N 17.672 -0.110 3.294 1.00 . A A . 18 HIS NE2 1 1 8 4176 1 1 18 HIS O O 12.289 2.520 1.566 1.00 . A A . 18 HIS O 1 1 8 4177 1 1 19 LEU C C 8.666 1.647 2.348 1.00 . A A . 19 LEU C 1 1 8 4178 1 1 19 LEU CA C 9.820 1.450 1.404 1.00 . A A . 19 LEU CA 1 1 8 4179 1 1 19 LEU CB C 9.353 0.638 0.190 1.00 . A A . 19 LEU CB 1 1 8 4180 1 1 19 LEU CD1 C 11.224 -0.736 -0.800 1.00 . A A . 19 LEU CD1 1 1 8 4181 1 1 19 LEU CD2 C 9.625 0.471 -2.276 1.00 . A A . 19 LEU CD2 1 1 8 4182 1 1 19 LEU CG C 10.343 0.488 -0.962 1.00 . A A . 19 LEU CG 1 1 8 4183 1 1 19 LEU H H 10.809 -0.010 2.542 1.00 . A A . 19 LEU H 1 1 8 4184 1 1 19 LEU HA H 10.109 2.436 1.059 1.00 . A A . 19 LEU HA 1 1 8 4185 1 1 19 LEU HB2 H 9.113 -0.354 0.545 1.00 . A A . 19 LEU HB2 1 1 8 4186 1 1 19 LEU HB3 H 8.444 1.082 -0.188 1.00 . A A . 19 LEU HB3 1 1 8 4187 1 1 19 LEU HD11 H 11.911 -0.784 -1.632 1.00 . A A . 19 LEU HD11 1 1 8 4188 1 1 19 LEU HD12 H 10.604 -1.620 -0.797 1.00 . A A . 19 LEU HD12 1 1 8 4189 1 1 19 LEU HD13 H 11.776 -0.669 0.127 1.00 . A A . 19 LEU HD13 1 1 8 4190 1 1 19 LEU HD21 H 8.930 -0.355 -2.299 1.00 . A A . 19 LEU HD21 1 1 8 4191 1 1 19 LEU HD22 H 10.345 0.356 -3.073 1.00 . A A . 19 LEU HD22 1 1 8 4192 1 1 19 LEU HD23 H 9.089 1.401 -2.402 1.00 . A A . 19 LEU HD23 1 1 8 4193 1 1 19 LEU HG H 10.998 1.347 -0.953 1.00 . A A . 19 LEU HG 1 1 8 4194 1 1 19 LEU N N 10.944 0.830 2.051 1.00 . A A . 19 LEU N 1 1 8 4195 1 1 19 LEU O O 8.629 1.091 3.458 1.00 . A A . 19 LEU O 1 1 8 4196 1 1 20 GLY C C 5.382 2.637 1.709 1.00 . A A . 20 GLY C 1 1 8 4197 1 1 20 GLY CA C 6.554 2.720 2.632 1.00 . A A . 20 GLY CA 1 1 8 4198 1 1 20 GLY H H 7.827 2.826 1.004 1.00 . A A . 20 GLY H 1 1 8 4199 1 1 20 GLY HA2 H 6.445 2.008 3.437 1.00 . A A . 20 GLY HA2 1 1 8 4200 1 1 20 GLY HA3 H 6.619 3.721 3.032 1.00 . A A . 20 GLY HA3 1 1 8 4201 1 1 20 GLY N N 7.736 2.431 1.902 1.00 . A A . 20 GLY N 1 1 8 4202 1 1 20 GLY O O 5.556 2.691 0.482 1.00 . A A . 20 GLY O 1 1 8 4203 1 1 21 CYS C C 2.453 3.705 1.077 1.00 . A A . 21 CYS C 1 1 8 4204 1 1 21 CYS CA C 3.039 2.355 1.449 1.00 . A A . 21 CYS CA 1 1 8 4205 1 1 21 CYS CB C 2.010 1.527 2.216 1.00 . A A . 21 CYS CB 1 1 8 4206 1 1 21 CYS H H 4.135 2.545 3.235 1.00 . A A . 21 CYS H 1 1 8 4207 1 1 21 CYS HA H 3.305 1.821 0.550 1.00 . A A . 21 CYS HA 1 1 8 4208 1 1 21 CYS HB2 H 2.410 0.538 2.385 1.00 . A A . 21 CYS HB2 1 1 8 4209 1 1 21 CYS HB3 H 1.822 1.998 3.170 1.00 . A A . 21 CYS HB3 1 1 8 4210 1 1 21 CYS N N 4.223 2.514 2.250 1.00 . A A . 21 CYS N 1 1 8 4211 1 1 21 CYS O O 2.144 4.509 1.937 1.00 . A A . 21 CYS O 1 1 8 4212 1 1 21 CYS SG S 0.413 1.326 1.369 1.00 . A A . 21 CYS SG 1 1 8 4213 1 1 22 LYS C C 0.226 5.028 -0.565 1.00 . A A . 22 LYS C 1 1 8 4214 1 1 22 LYS CA C 1.681 5.197 -0.565 1.00 . A A . 22 LYS CA 1 1 8 4215 1 1 22 LYS CB C 2.154 5.731 -1.894 1.00 . A A . 22 LYS CB 1 1 8 4216 1 1 22 LYS CD C 3.531 7.600 -0.995 1.00 . A A . 22 LYS CD 1 1 8 4217 1 1 22 LYS CE C 4.909 8.238 -1.011 1.00 . A A . 22 LYS CE 1 1 8 4218 1 1 22 LYS CG C 3.511 6.331 -1.827 1.00 . A A . 22 LYS CG 1 1 8 4219 1 1 22 LYS H H 2.612 3.344 -0.872 1.00 . A A . 22 LYS H 1 1 8 4220 1 1 22 LYS HA H 1.919 5.917 0.202 1.00 . A A . 22 LYS HA 1 1 8 4221 1 1 22 LYS HB2 H 2.172 4.919 -2.606 1.00 . A A . 22 LYS HB2 1 1 8 4222 1 1 22 LYS HB3 H 1.461 6.486 -2.233 1.00 . A A . 22 LYS HB3 1 1 8 4223 1 1 22 LYS HD2 H 2.805 8.285 -1.406 1.00 . A A . 22 LYS HD2 1 1 8 4224 1 1 22 LYS HD3 H 3.250 7.370 0.023 1.00 . A A . 22 LYS HD3 1 1 8 4225 1 1 22 LYS HE2 H 5.595 7.592 -0.485 1.00 . A A . 22 LYS HE2 1 1 8 4226 1 1 22 LYS HE3 H 5.232 8.338 -2.037 1.00 . A A . 22 LYS HE3 1 1 8 4227 1 1 22 LYS HG2 H 4.095 5.595 -1.303 1.00 . A A . 22 LYS HG2 1 1 8 4228 1 1 22 LYS HG3 H 3.896 6.516 -2.818 1.00 . A A . 22 LYS HG3 1 1 8 4229 1 1 22 LYS HZ1 H 5.883 9.962 -0.389 1.00 . A A . 22 LYS HZ1 1 1 8 4230 1 1 22 LYS HZ2 H 4.609 9.576 0.622 1.00 . A A . 22 LYS HZ2 1 1 8 4231 1 1 22 LYS HZ3 H 4.324 10.230 -0.897 1.00 . A A . 22 LYS HZ3 1 1 8 4232 1 1 22 LYS N N 2.315 3.979 -0.179 1.00 . A A . 22 LYS N 1 1 8 4233 1 1 22 LYS NZ N 4.922 9.564 -0.369 1.00 . A A . 22 LYS NZ 1 1 8 4234 1 1 22 LYS O O -0.332 4.300 -1.396 1.00 . A A . 22 LYS O 1 1 8 4235 1 1 23 ARG C C -2.525 6.310 -0.644 1.00 . A A . 23 ARG C 1 1 8 4236 1 1 23 ARG CA C -1.807 5.726 0.549 1.00 . A A . 23 ARG CA 1 1 8 4237 1 1 23 ARG CB C -2.194 6.526 1.808 1.00 . A A . 23 ARG CB 1 1 8 4238 1 1 23 ARG CD C -0.282 5.973 3.460 1.00 . A A . 23 ARG CD 1 1 8 4239 1 1 23 ARG CG C -1.778 5.957 3.176 1.00 . A A . 23 ARG CG 1 1 8 4240 1 1 23 ARG CZ C 0.999 4.873 5.337 1.00 . A A . 23 ARG CZ 1 1 8 4241 1 1 23 ARG H H 0.168 6.353 0.869 1.00 . A A . 23 ARG H 1 1 8 4242 1 1 23 ARG HA H -2.115 4.706 0.672 1.00 . A A . 23 ARG HA 1 1 8 4243 1 1 23 ARG HB2 H -1.747 7.506 1.724 1.00 . A A . 23 ARG HB2 1 1 8 4244 1 1 23 ARG HB3 H -3.267 6.651 1.807 1.00 . A A . 23 ARG HB3 1 1 8 4245 1 1 23 ARG HD2 H 0.202 5.246 2.824 1.00 . A A . 23 ARG HD2 1 1 8 4246 1 1 23 ARG HD3 H 0.107 6.957 3.246 1.00 . A A . 23 ARG HD3 1 1 8 4247 1 1 23 ARG HE H -0.619 6.093 5.508 1.00 . A A . 23 ARG HE 1 1 8 4248 1 1 23 ARG HG2 H -2.254 6.540 3.947 1.00 . A A . 23 ARG HG2 1 1 8 4249 1 1 23 ARG HG3 H -2.123 4.936 3.217 1.00 . A A . 23 ARG HG3 1 1 8 4250 1 1 23 ARG HH11 H 1.695 4.358 3.509 1.00 . A A . 23 ARG HH11 1 1 8 4251 1 1 23 ARG HH12 H 2.564 3.686 4.812 1.00 . A A . 23 ARG HH12 1 1 8 4252 1 1 23 ARG HH21 H 0.646 5.159 7.346 1.00 . A A . 23 ARG HH21 1 1 8 4253 1 1 23 ARG HH22 H 1.966 4.137 6.948 1.00 . A A . 23 ARG HH22 1 1 8 4254 1 1 23 ARG N N -0.386 5.745 0.332 1.00 . A A . 23 ARG N 1 1 8 4255 1 1 23 ARG NE N -0.006 5.646 4.881 1.00 . A A . 23 ARG NE 1 1 8 4256 1 1 23 ARG NH1 N 1.793 4.269 4.506 1.00 . A A . 23 ARG NH1 1 1 8 4257 1 1 23 ARG NH2 N 1.206 4.722 6.637 1.00 . A A . 23 ARG NH2 1 1 8 4258 1 1 23 ARG O O -3.659 5.956 -0.943 1.00 . A A . 23 ARG O 1 1 8 4259 1 1 24 LYS C C -2.351 7.015 -3.716 1.00 . A A . 24 LYS C 1 1 8 4260 1 1 24 LYS CA C -2.422 7.851 -2.472 1.00 . A A . 24 LYS CA 1 1 8 4261 1 1 24 LYS CB C -1.682 9.181 -2.712 1.00 . A A . 24 LYS CB 1 1 8 4262 1 1 24 LYS CD C -1.359 11.162 -4.248 1.00 . A A . 24 LYS CD 1 1 8 4263 1 1 24 LYS CE C -1.827 11.803 -5.550 1.00 . A A . 24 LYS CE 1 1 8 4264 1 1 24 LYS CG C -2.185 9.938 -3.934 1.00 . A A . 24 LYS CG 1 1 8 4265 1 1 24 LYS H H -0.860 7.185 -1.162 1.00 . A A . 24 LYS H 1 1 8 4266 1 1 24 LYS HA H -3.452 8.064 -2.231 1.00 . A A . 24 LYS HA 1 1 8 4267 1 1 24 LYS HB2 H -1.801 9.812 -1.844 1.00 . A A . 24 LYS HB2 1 1 8 4268 1 1 24 LYS HB3 H -0.632 8.971 -2.852 1.00 . A A . 24 LYS HB3 1 1 8 4269 1 1 24 LYS HD2 H -1.466 11.872 -3.442 1.00 . A A . 24 LYS HD2 1 1 8 4270 1 1 24 LYS HD3 H -0.322 10.875 -4.348 1.00 . A A . 24 LYS HD3 1 1 8 4271 1 1 24 LYS HE2 H -2.865 12.079 -5.447 1.00 . A A . 24 LYS HE2 1 1 8 4272 1 1 24 LYS HE3 H -1.238 12.689 -5.737 1.00 . A A . 24 LYS HE3 1 1 8 4273 1 1 24 LYS HG2 H -2.149 9.275 -4.786 1.00 . A A . 24 LYS HG2 1 1 8 4274 1 1 24 LYS HG3 H -3.208 10.234 -3.763 1.00 . A A . 24 LYS HG3 1 1 8 4275 1 1 24 LYS HZ1 H -2.026 11.334 -7.581 1.00 . A A . 24 LYS HZ1 1 1 8 4276 1 1 24 LYS HZ2 H -2.246 10.009 -6.576 1.00 . A A . 24 LYS HZ2 1 1 8 4277 1 1 24 LYS HZ3 H -0.693 10.616 -6.848 1.00 . A A . 24 LYS HZ3 1 1 8 4278 1 1 24 LYS N N -1.823 7.129 -1.367 1.00 . A A . 24 LYS N 1 1 8 4279 1 1 24 LYS NZ N -1.691 10.878 -6.708 1.00 . A A . 24 LYS NZ 1 1 8 4280 1 1 24 LYS O O -3.188 7.111 -4.614 1.00 . A A . 24 LYS O 1 1 8 4281 1 1 25 MET C C -1.449 3.990 -4.827 1.00 . A A . 25 MET C 1 1 8 4282 1 1 25 MET CA C -1.085 5.459 -4.946 1.00 . A A . 25 MET CA 1 1 8 4283 1 1 25 MET CB C 0.400 5.632 -5.256 1.00 . A A . 25 MET CB 1 1 8 4284 1 1 25 MET CE C 0.371 7.527 -7.900 1.00 . A A . 25 MET CE 1 1 8 4285 1 1 25 MET CG C 0.916 7.079 -5.209 1.00 . A A . 25 MET CG 1 1 8 4286 1 1 25 MET H H -0.880 5.977 -2.924 1.00 . A A . 25 MET H 1 1 8 4287 1 1 25 MET HA H -1.649 5.905 -5.749 1.00 . A A . 25 MET HA 1 1 8 4288 1 1 25 MET HB2 H 1.011 5.022 -4.608 1.00 . A A . 25 MET HB2 1 1 8 4289 1 1 25 MET HB3 H 0.543 5.275 -6.258 1.00 . A A . 25 MET HB3 1 1 8 4290 1 1 25 MET HE1 H -0.082 8.147 -8.659 1.00 . A A . 25 MET HE1 1 1 8 4291 1 1 25 MET HE2 H -0.043 6.530 -7.958 1.00 . A A . 25 MET HE2 1 1 8 4292 1 1 25 MET HE3 H 1.439 7.485 -8.058 1.00 . A A . 25 MET HE3 1 1 8 4293 1 1 25 MET HG2 H 0.824 7.443 -4.196 1.00 . A A . 25 MET HG2 1 1 8 4294 1 1 25 MET HG3 H 1.960 7.078 -5.489 1.00 . A A . 25 MET HG3 1 1 8 4295 1 1 25 MET N N -1.386 6.158 -3.744 1.00 . A A . 25 MET N 1 1 8 4296 1 1 25 MET O O -1.537 3.278 -5.828 1.00 . A A . 25 MET O 1 1 8 4297 1 1 25 MET SD S 0.025 8.225 -6.293 1.00 . A A . 25 MET SD 1 1 8 4298 1 1 26 LYS C C -0.832 1.266 -3.599 1.00 . A A . 26 LYS C 1 1 8 4299 1 1 26 LYS CA C -1.966 2.166 -3.223 1.00 . A A . 26 LYS CA 1 1 8 4300 1 1 26 LYS CB C -3.289 1.686 -3.808 1.00 . A A . 26 LYS CB 1 1 8 4301 1 1 26 LYS CD C -4.528 2.543 -1.816 1.00 . A A . 26 LYS CD 1 1 8 4302 1 1 26 LYS CE C -5.796 3.210 -1.276 1.00 . A A . 26 LYS CE 1 1 8 4303 1 1 26 LYS CG C -4.490 2.493 -3.333 1.00 . A A . 26 LYS CG 1 1 8 4304 1 1 26 LYS H H -1.582 4.192 -2.844 1.00 . A A . 26 LYS H 1 1 8 4305 1 1 26 LYS HA H -2.023 2.139 -2.145 1.00 . A A . 26 LYS HA 1 1 8 4306 1 1 26 LYS HB2 H -3.217 1.702 -4.884 1.00 . A A . 26 LYS HB2 1 1 8 4307 1 1 26 LYS HB3 H -3.429 0.660 -3.504 1.00 . A A . 26 LYS HB3 1 1 8 4308 1 1 26 LYS HD2 H -4.449 1.535 -1.437 1.00 . A A . 26 LYS HD2 1 1 8 4309 1 1 26 LYS HD3 H -3.654 3.103 -1.508 1.00 . A A . 26 LYS HD3 1 1 8 4310 1 1 26 LYS HE2 H -6.655 2.666 -1.638 1.00 . A A . 26 LYS HE2 1 1 8 4311 1 1 26 LYS HE3 H -5.777 3.157 -0.197 1.00 . A A . 26 LYS HE3 1 1 8 4312 1 1 26 LYS HG2 H -4.392 3.498 -3.713 1.00 . A A . 26 LYS HG2 1 1 8 4313 1 1 26 LYS HG3 H -5.399 2.042 -3.701 1.00 . A A . 26 LYS HG3 1 1 8 4314 1 1 26 LYS HZ1 H -6.805 5.031 -1.284 1.00 . A A . 26 LYS HZ1 1 1 8 4315 1 1 26 LYS HZ2 H -6.020 4.727 -2.718 1.00 . A A . 26 LYS HZ2 1 1 8 4316 1 1 26 LYS HZ3 H -5.132 5.207 -1.355 1.00 . A A . 26 LYS HZ3 1 1 8 4317 1 1 26 LYS N N -1.657 3.554 -3.584 1.00 . A A . 26 LYS N 1 1 8 4318 1 1 26 LYS NZ N -5.933 4.627 -1.687 1.00 . A A . 26 LYS NZ 1 1 8 4319 1 1 26 LYS O O -1.010 0.077 -3.904 1.00 . A A . 26 LYS O 1 1 8 4320 1 1 27 TYR C C 2.702 1.573 -3.040 1.00 . A A . 27 TYR C 1 1 8 4321 1 1 27 TYR CA C 1.538 1.084 -3.825 1.00 . A A . 27 TYR CA 1 1 8 4322 1 1 27 TYR CB C 1.879 1.009 -5.346 1.00 . A A . 27 TYR CB 1 1 8 4323 1 1 27 TYR CD1 C 3.315 3.064 -5.758 1.00 . A A . 27 TYR CD1 1 1 8 4324 1 1 27 TYR CD2 C 1.412 2.730 -7.141 1.00 . A A . 27 TYR CD2 1 1 8 4325 1 1 27 TYR CE1 C 3.632 4.202 -6.449 1.00 . A A . 27 TYR CE1 1 1 8 4326 1 1 27 TYR CE2 C 1.719 3.876 -7.840 1.00 . A A . 27 TYR CE2 1 1 8 4327 1 1 27 TYR CG C 2.199 2.304 -6.083 1.00 . A A . 27 TYR CG 1 1 8 4328 1 1 27 TYR CZ C 2.831 4.609 -7.489 1.00 . A A . 27 TYR CZ 1 1 8 4329 1 1 27 TYR H H 0.349 2.720 -3.105 1.00 . A A . 27 TYR H 1 1 8 4330 1 1 27 TYR HA H 1.351 0.079 -3.476 1.00 . A A . 27 TYR HA 1 1 8 4331 1 1 27 TYR HB2 H 2.755 0.385 -5.449 1.00 . A A . 27 TYR HB2 1 1 8 4332 1 1 27 TYR HB3 H 1.070 0.516 -5.857 1.00 . A A . 27 TYR HB3 1 1 8 4333 1 1 27 TYR HD1 H 3.940 2.746 -4.936 1.00 . A A . 27 TYR HD1 1 1 8 4334 1 1 27 TYR HD2 H 0.539 2.155 -7.413 1.00 . A A . 27 TYR HD2 1 1 8 4335 1 1 27 TYR HE1 H 4.505 4.768 -6.165 1.00 . A A . 27 TYR HE1 1 1 8 4336 1 1 27 TYR HE2 H 1.089 4.199 -8.655 1.00 . A A . 27 TYR HE2 1 1 8 4337 1 1 27 TYR HH H 4.108 5.810 -8.235 1.00 . A A . 27 TYR HH 1 1 8 4338 1 1 27 TYR N N 0.335 1.817 -3.498 1.00 . A A . 27 TYR N 1 1 8 4339 1 1 27 TYR O O 2.688 2.681 -2.520 1.00 . A A . 27 TYR O 1 1 8 4340 1 1 27 TYR OH O 3.146 5.749 -8.185 1.00 . A A . 27 TYR OH 1 1 8 4341 1 1 28 CYS C C 5.791 2.006 -2.970 1.00 . A A . 28 CYS C 1 1 8 4342 1 1 28 CYS CA C 4.866 1.055 -2.227 1.00 . A A . 28 CYS CA 1 1 8 4343 1 1 28 CYS CB C 5.574 -0.242 -1.909 1.00 . A A . 28 CYS CB 1 1 8 4344 1 1 28 CYS H H 3.616 -0.090 -3.450 1.00 . A A . 28 CYS H 1 1 8 4345 1 1 28 CYS HA H 4.568 1.510 -1.295 1.00 . A A . 28 CYS HA 1 1 8 4346 1 1 28 CYS HB2 H 5.929 -0.688 -2.826 1.00 . A A . 28 CYS HB2 1 1 8 4347 1 1 28 CYS HB3 H 6.412 -0.043 -1.259 1.00 . A A . 28 CYS HB3 1 1 8 4348 1 1 28 CYS N N 3.693 0.769 -2.977 1.00 . A A . 28 CYS N 1 1 8 4349 1 1 28 CYS O O 6.023 1.865 -4.187 1.00 . A A . 28 CYS O 1 1 8 4350 1 1 28 CYS SG S 4.500 -1.449 -1.079 1.00 . A A . 28 CYS SG 1 1 8 4351 1 1 29 ALA C C 8.352 3.968 -1.713 1.00 . A A . 29 ALA C 1 1 8 4352 1 1 29 ALA CA C 7.241 3.931 -2.728 1.00 . A A . 29 ALA CA 1 1 8 4353 1 1 29 ALA CB C 6.598 5.290 -2.886 1.00 . A A . 29 ALA CB 1 1 8 4354 1 1 29 ALA H H 6.023 3.028 -1.298 1.00 . A A . 29 ALA H 1 1 8 4355 1 1 29 ALA HA H 7.626 3.588 -3.675 1.00 . A A . 29 ALA HA 1 1 8 4356 1 1 29 ALA HB1 H 6.219 5.622 -1.931 1.00 . A A . 29 ALA HB1 1 1 8 4357 1 1 29 ALA HB2 H 5.783 5.221 -3.592 1.00 . A A . 29 ALA HB2 1 1 8 4358 1 1 29 ALA HB3 H 7.328 5.997 -3.249 1.00 . A A . 29 ALA HB3 1 1 8 4359 1 1 29 ALA N N 6.286 2.970 -2.246 1.00 . A A . 29 ALA N 1 1 8 4360 1 1 29 ALA O O 8.257 3.273 -0.719 1.00 . A A . 29 ALA O 1 1 8 4361 1 1 30 TRP C C 10.224 5.359 0.404 1.00 . A A . 30 TRP C 1 1 8 4362 1 1 30 TRP CA C 10.516 4.778 -0.983 1.00 . A A . 30 TRP CA 1 1 8 4363 1 1 30 TRP CB C 11.734 5.440 -1.599 1.00 . A A . 30 TRP CB 1 1 8 4364 1 1 30 TRP CD1 C 12.197 5.086 -4.068 1.00 . A A . 30 TRP CD1 1 1 8 4365 1 1 30 TRP CD2 C 12.906 3.461 -2.754 1.00 . A A . 30 TRP CD2 1 1 8 4366 1 1 30 TRP CE2 C 13.242 3.125 -4.064 1.00 . A A . 30 TRP CE2 1 1 8 4367 1 1 30 TRP CE3 C 13.233 2.612 -1.738 1.00 . A A . 30 TRP CE3 1 1 8 4368 1 1 30 TRP CG C 12.259 4.711 -2.779 1.00 . A A . 30 TRP CG 1 1 8 4369 1 1 30 TRP CH2 C 14.226 1.109 -3.347 1.00 . A A . 30 TRP CH2 1 1 8 4370 1 1 30 TRP CZ2 C 13.908 1.942 -4.382 1.00 . A A . 30 TRP CZ2 1 1 8 4371 1 1 30 TRP CZ3 C 13.891 1.434 -2.028 1.00 . A A . 30 TRP CZ3 1 1 8 4372 1 1 30 TRP H H 9.357 5.431 -2.642 1.00 . A A . 30 TRP H 1 1 8 4373 1 1 30 TRP HA H 10.741 3.731 -0.857 1.00 . A A . 30 TRP HA 1 1 8 4374 1 1 30 TRP HB2 H 11.485 6.438 -1.909 1.00 . A A . 30 TRP HB2 1 1 8 4375 1 1 30 TRP HB3 H 12.522 5.488 -0.861 1.00 . A A . 30 TRP HB3 1 1 8 4376 1 1 30 TRP HD1 H 11.736 6.008 -4.385 1.00 . A A . 30 TRP HD1 1 1 8 4377 1 1 30 TRP HE1 H 12.897 4.170 -5.835 1.00 . A A . 30 TRP HE1 1 1 8 4378 1 1 30 TRP HE3 H 12.940 2.925 -0.748 1.00 . A A . 30 TRP HE3 1 1 8 4379 1 1 30 TRP HH2 H 14.741 0.179 -3.536 1.00 . A A . 30 TRP HH2 1 1 8 4380 1 1 30 TRP HZ2 H 14.171 1.684 -5.396 1.00 . A A . 30 TRP HZ2 1 1 8 4381 1 1 30 TRP HZ3 H 14.156 0.754 -1.233 1.00 . A A . 30 TRP HZ3 1 1 8 4382 1 1 30 TRP N N 9.362 4.791 -1.896 1.00 . A A . 30 TRP N 1 1 8 4383 1 1 30 TRP NE1 N 12.797 4.138 -4.858 1.00 . A A . 30 TRP NE1 1 1 8 4384 1 1 30 TRP O O 11.101 5.384 1.279 1.00 . A A . 30 TRP O 1 1 8 4385 1 1 31 ASP C C 7.014 6.352 1.685 1.00 . A A . 31 ASP C 1 1 8 4386 1 1 31 ASP CA C 8.531 6.338 1.818 1.00 . A A . 31 ASP CA 1 1 8 4387 1 1 31 ASP CB C 9.145 7.739 2.031 1.00 . A A . 31 ASP CB 1 1 8 4388 1 1 31 ASP CG C 8.815 8.404 3.375 1.00 . A A . 31 ASP CG 1 1 8 4389 1 1 31 ASP H H 8.306 5.704 -0.081 1.00 . A A . 31 ASP H 1 1 8 4390 1 1 31 ASP HA H 8.803 5.672 2.624 1.00 . A A . 31 ASP HA 1 1 8 4391 1 1 31 ASP HB2 H 10.209 7.559 1.986 1.00 . A A . 31 ASP HB2 1 1 8 4392 1 1 31 ASP HB3 H 8.854 8.374 1.208 1.00 . A A . 31 ASP HB3 1 1 8 4393 1 1 31 ASP N N 9.001 5.781 0.604 1.00 . A A . 31 ASP N 1 1 8 4394 1 1 31 ASP O O 6.489 5.915 0.650 1.00 . A A . 31 ASP O 1 1 8 4395 1 1 31 ASP OD1 O 9.648 8.373 4.302 1.00 . A A . 31 ASP OD1 1 1 8 4396 1 1 31 ASP OD2 O 7.713 8.972 3.514 1.00 . A A . 31 ASP OD2 1 1 8 4397 1 1 32 PHE C C 4.229 8.081 3.070 1.00 . A A . 32 PHE C 1 1 8 4398 1 1 32 PHE CA C 4.901 6.751 2.732 1.00 . A A . 32 PHE CA 1 1 8 4399 1 1 32 PHE CB C 4.516 5.697 3.781 1.00 . A A . 32 PHE CB 1 1 8 4400 1 1 32 PHE CD1 C 4.216 6.571 6.134 1.00 . A A . 32 PHE CD1 1 1 8 4401 1 1 32 PHE CD2 C 6.306 5.583 5.561 1.00 . A A . 32 PHE CD2 1 1 8 4402 1 1 32 PHE CE1 C 4.675 6.802 7.415 1.00 . A A . 32 PHE CE1 1 1 8 4403 1 1 32 PHE CE2 C 6.767 5.815 6.842 1.00 . A A . 32 PHE CE2 1 1 8 4404 1 1 32 PHE CG C 5.025 5.958 5.189 1.00 . A A . 32 PHE CG 1 1 8 4405 1 1 32 PHE CZ C 5.952 6.424 7.768 1.00 . A A . 32 PHE CZ 1 1 8 4406 1 1 32 PHE H H 6.871 7.337 3.312 1.00 . A A . 32 PHE H 1 1 8 4407 1 1 32 PHE HA H 4.536 6.406 1.777 1.00 . A A . 32 PHE HA 1 1 8 4408 1 1 32 PHE HB2 H 3.439 5.648 3.836 1.00 . A A . 32 PHE HB2 1 1 8 4409 1 1 32 PHE HB3 H 4.885 4.735 3.463 1.00 . A A . 32 PHE HB3 1 1 8 4410 1 1 32 PHE HD1 H 3.215 6.868 5.859 1.00 . A A . 32 PHE HD1 1 1 8 4411 1 1 32 PHE HD2 H 6.947 5.106 4.835 1.00 . A A . 32 PHE HD2 1 1 8 4412 1 1 32 PHE HE1 H 4.037 7.281 8.142 1.00 . A A . 32 PHE HE1 1 1 8 4413 1 1 32 PHE HE2 H 7.768 5.520 7.118 1.00 . A A . 32 PHE HE2 1 1 8 4414 1 1 32 PHE HZ H 6.311 6.605 8.770 1.00 . A A . 32 PHE HZ 1 1 8 4415 1 1 32 PHE N N 6.343 6.847 2.650 1.00 . A A . 32 PHE N 1 1 8 4416 1 1 32 PHE O O 3.055 8.278 2.749 1.00 . A A . 32 PHE O 1 1 8 4417 1 1 33 THR C C 3.923 11.144 3.031 1.00 . A A . 33 THR C 1 1 8 4418 1 1 33 THR CA C 4.417 10.244 4.161 1.00 . A A . 33 THR CA 1 1 8 4419 1 1 33 THR CB C 5.436 11.002 5.046 1.00 . A A . 33 THR CB 1 1 8 4420 1 1 33 THR CG2 C 5.718 10.228 6.325 1.00 . A A . 33 THR CG2 1 1 8 4421 1 1 33 THR H H 5.947 8.859 3.751 1.00 . A A . 33 THR H 1 1 8 4422 1 1 33 THR HA H 3.567 9.986 4.776 1.00 . A A . 33 THR HA 1 1 8 4423 1 1 33 THR HB H 5.018 11.964 5.302 1.00 . A A . 33 THR HB 1 1 8 4424 1 1 33 THR HG1 H 7.105 10.348 4.185 1.00 . A A . 33 THR HG1 1 1 8 4425 1 1 33 THR HG21 H 4.804 10.115 6.890 1.00 . A A . 33 THR HG21 1 1 8 4426 1 1 33 THR HG22 H 6.447 10.759 6.918 1.00 . A A . 33 THR HG22 1 1 8 4427 1 1 33 THR HG23 H 6.104 9.252 6.074 1.00 . A A . 33 THR HG23 1 1 8 4428 1 1 33 THR N N 4.975 8.995 3.665 1.00 . A A . 33 THR N 1 1 8 4429 1 1 33 THR O O 4.343 11.002 1.875 1.00 . A A . 33 THR O 1 1 8 4430 1 1 33 THR OG1 O 6.669 11.206 4.326 1.00 . A A . 33 THR OG1 1 1 8 4431 1 1 34 PHE C C 3.321 14.202 2.333 1.00 . A A . 34 PHE C 1 1 8 4432 1 1 34 PHE CA C 2.483 12.946 2.373 1.00 . A A . 34 PHE CA 1 1 8 4433 1 1 34 PHE CB C 1.032 13.299 2.710 1.00 . A A . 34 PHE CB 1 1 8 4434 1 1 34 PHE CD1 C -0.370 11.442 1.782 1.00 . A A . 34 PHE CD1 1 1 8 4435 1 1 34 PHE CD2 C -0.199 11.659 4.144 1.00 . A A . 34 PHE CD2 1 1 8 4436 1 1 34 PHE CE1 C -1.193 10.348 1.943 1.00 . A A . 34 PHE CE1 1 1 8 4437 1 1 34 PHE CE2 C -1.019 10.571 4.309 1.00 . A A . 34 PHE CE2 1 1 8 4438 1 1 34 PHE CG C 0.137 12.108 2.879 1.00 . A A . 34 PHE CG 1 1 8 4439 1 1 34 PHE CZ C -1.517 9.912 3.208 1.00 . A A . 34 PHE CZ 1 1 8 4440 1 1 34 PHE H H 2.729 12.129 4.282 1.00 . A A . 34 PHE H 1 1 8 4441 1 1 34 PHE HA H 2.516 12.459 1.409 1.00 . A A . 34 PHE HA 1 1 8 4442 1 1 34 PHE HB2 H 1.011 13.865 3.628 1.00 . A A . 34 PHE HB2 1 1 8 4443 1 1 34 PHE HB3 H 0.634 13.908 1.912 1.00 . A A . 34 PHE HB3 1 1 8 4444 1 1 34 PHE HD1 H -0.112 11.781 0.790 1.00 . A A . 34 PHE HD1 1 1 8 4445 1 1 34 PHE HD2 H 0.190 12.173 5.011 1.00 . A A . 34 PHE HD2 1 1 8 4446 1 1 34 PHE HE1 H -1.585 9.834 1.077 1.00 . A A . 34 PHE HE1 1 1 8 4447 1 1 34 PHE HE2 H -1.271 10.233 5.303 1.00 . A A . 34 PHE HE2 1 1 8 4448 1 1 34 PHE HZ H -2.163 9.056 3.337 1.00 . A A . 34 PHE HZ 1 1 8 4449 1 1 34 PHE N N 3.032 12.045 3.351 1.00 . A A . 34 PHE N 1 1 8 4450 1 1 34 PHE O O 3.191 15.076 3.195 1.00 . A A . 34 PHE O 1 1 8 4451 1 1 35 THR C C 5.421 15.657 -0.210 1.00 . A A . 35 THR C 1 1 8 4452 1 1 35 THR CA C 5.092 15.419 1.259 1.00 . A A . 35 THR CA 1 1 8 4453 1 1 35 THR CB C 6.393 15.218 2.070 1.00 . A A . 35 THR CB 1 1 8 4454 1 1 35 THR CG2 C 7.287 16.452 1.995 1.00 . A A . 35 THR CG2 1 1 8 4455 1 1 35 THR H H 4.317 13.532 0.758 1.00 . A A . 35 THR H 1 1 8 4456 1 1 35 THR HA H 4.571 16.282 1.646 1.00 . A A . 35 THR HA 1 1 8 4457 1 1 35 THR HB H 6.924 14.364 1.677 1.00 . A A . 35 THR HB 1 1 8 4458 1 1 35 THR HG1 H 5.136 15.249 3.569 1.00 . A A . 35 THR HG1 1 1 8 4459 1 1 35 THR HG21 H 7.543 16.649 0.964 1.00 . A A . 35 THR HG21 1 1 8 4460 1 1 35 THR HG22 H 8.189 16.276 2.562 1.00 . A A . 35 THR HG22 1 1 8 4461 1 1 35 THR HG23 H 6.765 17.302 2.406 1.00 . A A . 35 THR HG23 1 1 8 4462 1 1 35 THR N N 4.218 14.270 1.399 1.00 . A A . 35 THR N 1 1 8 4463 1 1 35 THR O O 4.668 15.219 -1.098 1.00 . A A . 35 THR O 1 1 8 4464 1 1 35 THR OG1 O 6.055 14.965 3.447 1.00 . A A . 35 THR OG1 1 1 9 4465 1 1 1 ASP C C 8.094 -10.298 1.221 1.00 . A A . 1 ASP C 1 1 9 4466 1 1 1 ASP CA C 8.913 -11.533 0.946 1.00 . A A . 1 ASP CA 1 1 9 4467 1 1 1 ASP CB C 8.677 -12.000 -0.503 1.00 . A A . 1 ASP CB 1 1 9 4468 1 1 1 ASP CG C 7.218 -12.178 -0.850 1.00 . A A . 1 ASP CG 1 1 9 4469 1 1 1 ASP H1 H 8.723 -12.212 2.870 1.00 . A A . 1 ASP H1 1 1 9 4470 1 1 1 ASP H2 H 9.143 -13.427 1.795 1.00 . A A . 1 ASP H2 1 1 9 4471 1 1 1 ASP H3 H 7.551 -12.835 1.838 1.00 . A A . 1 ASP H3 1 1 9 4472 1 1 1 ASP HA H 9.955 -11.283 1.079 1.00 . A A . 1 ASP HA 1 1 9 4473 1 1 1 ASP HB2 H 9.083 -11.263 -1.178 1.00 . A A . 1 ASP HB2 1 1 9 4474 1 1 1 ASP HB3 H 9.186 -12.939 -0.658 1.00 . A A . 1 ASP HB3 1 1 9 4475 1 1 1 ASP N N 8.555 -12.578 1.913 1.00 . A A . 1 ASP N 1 1 9 4476 1 1 1 ASP O O 7.221 -10.306 2.098 1.00 . A A . 1 ASP O 1 1 9 4477 1 1 1 ASP OD1 O 6.615 -13.187 -0.432 1.00 . A A . 1 ASP OD1 1 1 9 4478 1 1 1 ASP OD2 O 6.661 -11.346 -1.582 1.00 . A A . 1 ASP OD2 1 1 9 4479 1 1 2 CYS C C 7.400 -7.469 -0.709 1.00 . A A . 2 CYS C 1 1 9 4480 1 1 2 CYS CA C 7.693 -8.021 0.641 1.00 . A A . 2 CYS CA 1 1 9 4481 1 1 2 CYS CB C 8.550 -7.050 1.393 1.00 . A A . 2 CYS CB 1 1 9 4482 1 1 2 CYS H H 9.103 -9.230 -0.152 1.00 . A A . 2 CYS H 1 1 9 4483 1 1 2 CYS HA H 6.767 -8.139 1.180 1.00 . A A . 2 CYS HA 1 1 9 4484 1 1 2 CYS HB2 H 8.071 -6.096 1.254 1.00 . A A . 2 CYS HB2 1 1 9 4485 1 1 2 CYS HB3 H 8.573 -7.302 2.438 1.00 . A A . 2 CYS HB3 1 1 9 4486 1 1 2 CYS N N 8.380 -9.246 0.510 1.00 . A A . 2 CYS N 1 1 9 4487 1 1 2 CYS O O 7.910 -7.965 -1.729 1.00 . A A . 2 CYS O 1 1 9 4488 1 1 2 CYS SG S 10.240 -6.872 0.739 1.00 . A A . 2 CYS SG 1 1 9 4489 1 1 3 ARG C C 7.157 -4.616 -2.135 1.00 . A A . 3 ARG C 1 1 9 4490 1 1 3 ARG CA C 6.261 -5.818 -1.959 1.00 . A A . 3 ARG CA 1 1 9 4491 1 1 3 ARG CB C 4.792 -5.435 -1.991 1.00 . A A . 3 ARG CB 1 1 9 4492 1 1 3 ARG CD C 2.431 -6.188 -1.853 1.00 . A A . 3 ARG CD 1 1 9 4493 1 1 3 ARG CG C 3.860 -6.632 -1.862 1.00 . A A . 3 ARG CG 1 1 9 4494 1 1 3 ARG CZ C 0.218 -7.113 -1.186 1.00 . A A . 3 ARG CZ 1 1 9 4495 1 1 3 ARG H H 6.203 -6.160 0.113 1.00 . A A . 3 ARG H 1 1 9 4496 1 1 3 ARG HA H 6.465 -6.513 -2.759 1.00 . A A . 3 ARG HA 1 1 9 4497 1 1 3 ARG HB2 H 4.593 -4.757 -1.176 1.00 . A A . 3 ARG HB2 1 1 9 4498 1 1 3 ARG HB3 H 4.579 -4.938 -2.925 1.00 . A A . 3 ARG HB3 1 1 9 4499 1 1 3 ARG HD2 H 2.308 -5.458 -1.068 1.00 . A A . 3 ARG HD2 1 1 9 4500 1 1 3 ARG HD3 H 2.225 -5.718 -2.803 1.00 . A A . 3 ARG HD3 1 1 9 4501 1 1 3 ARG HE H 1.825 -8.175 -1.857 1.00 . A A . 3 ARG HE 1 1 9 4502 1 1 3 ARG HG2 H 4.010 -7.289 -2.705 1.00 . A A . 3 ARG HG2 1 1 9 4503 1 1 3 ARG HG3 H 4.078 -7.155 -0.943 1.00 . A A . 3 ARG HG3 1 1 9 4504 1 1 3 ARG HH11 H 0.337 -5.081 -1.060 1.00 . A A . 3 ARG HH11 1 1 9 4505 1 1 3 ARG HH12 H -1.170 -5.724 -0.604 1.00 . A A . 3 ARG HH12 1 1 9 4506 1 1 3 ARG HH21 H -0.275 -9.090 -1.218 1.00 . A A . 3 ARG HH21 1 1 9 4507 1 1 3 ARG HH22 H -1.509 -8.072 -0.665 1.00 . A A . 3 ARG HH22 1 1 9 4508 1 1 3 ARG N N 6.591 -6.474 -0.737 1.00 . A A . 3 ARG N 1 1 9 4509 1 1 3 ARG NE N 1.477 -7.282 -1.642 1.00 . A A . 3 ARG NE 1 1 9 4510 1 1 3 ARG NH1 N -0.237 -5.898 -0.927 1.00 . A A . 3 ARG NH1 1 1 9 4511 1 1 3 ARG NH2 N -0.573 -8.156 -1.016 1.00 . A A . 3 ARG NH2 1 1 9 4512 1 1 3 ARG O O 7.381 -3.837 -1.186 1.00 . A A . 3 ARG O 1 1 9 4513 1 1 4 TYR C C 7.838 -2.289 -4.234 1.00 . A A . 4 TYR C 1 1 9 4514 1 1 4 TYR CA C 8.599 -3.459 -3.640 1.00 . A A . 4 TYR CA 1 1 9 4515 1 1 4 TYR CB C 9.612 -3.999 -4.621 1.00 . A A . 4 TYR CB 1 1 9 4516 1 1 4 TYR CD1 C 11.512 -4.794 -3.134 1.00 . A A . 4 TYR CD1 1 1 9 4517 1 1 4 TYR CD2 C 10.372 -6.390 -4.483 1.00 . A A . 4 TYR CD2 1 1 9 4518 1 1 4 TYR CE1 C 12.336 -5.788 -2.649 1.00 . A A . 4 TYR CE1 1 1 9 4519 1 1 4 TYR CE2 C 11.189 -7.385 -3.998 1.00 . A A . 4 TYR CE2 1 1 9 4520 1 1 4 TYR CG C 10.510 -5.082 -4.063 1.00 . A A . 4 TYR CG 1 1 9 4521 1 1 4 TYR CZ C 12.167 -7.083 -3.086 1.00 . A A . 4 TYR CZ 1 1 9 4522 1 1 4 TYR H H 7.509 -5.113 -4.043 1.00 . A A . 4 TYR H 1 1 9 4523 1 1 4 TYR HA H 9.118 -3.147 -2.746 1.00 . A A . 4 TYR HA 1 1 9 4524 1 1 4 TYR HB2 H 9.073 -4.416 -5.459 1.00 . A A . 4 TYR HB2 1 1 9 4525 1 1 4 TYR HB3 H 10.215 -3.190 -4.977 1.00 . A A . 4 TYR HB3 1 1 9 4526 1 1 4 TYR HD1 H 11.652 -3.788 -2.761 1.00 . A A . 4 TYR HD1 1 1 9 4527 1 1 4 TYR HD2 H 9.602 -6.627 -5.202 1.00 . A A . 4 TYR HD2 1 1 9 4528 1 1 4 TYR HE1 H 13.103 -5.540 -1.932 1.00 . A A . 4 TYR HE1 1 1 9 4529 1 1 4 TYR HE2 H 11.061 -8.403 -4.335 1.00 . A A . 4 TYR HE2 1 1 9 4530 1 1 4 TYR HH H 13.308 -8.582 -3.372 1.00 . A A . 4 TYR HH 1 1 9 4531 1 1 4 TYR N N 7.703 -4.495 -3.310 1.00 . A A . 4 TYR N 1 1 9 4532 1 1 4 TYR O O 6.607 -2.224 -4.123 1.00 . A A . 4 TYR O 1 1 9 4533 1 1 4 TYR OH O 12.985 -8.086 -2.608 1.00 . A A . 4 TYR OH 1 1 9 4534 1 1 5 MET C C 6.955 -0.551 -6.471 1.00 . A A . 5 MET C 1 1 9 4535 1 1 5 MET CA C 7.960 -0.173 -5.411 1.00 . A A . 5 MET CA 1 1 9 4536 1 1 5 MET CB C 9.030 0.750 -5.999 1.00 . A A . 5 MET CB 1 1 9 4537 1 1 5 MET CE C 9.186 4.864 -6.251 1.00 . A A . 5 MET CE 1 1 9 4538 1 1 5 MET CG C 8.593 2.193 -6.071 1.00 . A A . 5 MET CG 1 1 9 4539 1 1 5 MET H H 9.523 -1.515 -4.950 1.00 . A A . 5 MET H 1 1 9 4540 1 1 5 MET HA H 7.427 0.352 -4.630 1.00 . A A . 5 MET HA 1 1 9 4541 1 1 5 MET HB2 H 9.929 0.701 -5.407 1.00 . A A . 5 MET HB2 1 1 9 4542 1 1 5 MET HB3 H 9.261 0.419 -7.000 1.00 . A A . 5 MET HB3 1 1 9 4543 1 1 5 MET HE1 H 9.188 4.878 -5.169 1.00 . A A . 5 MET HE1 1 1 9 4544 1 1 5 MET HE2 H 8.179 4.993 -6.618 1.00 . A A . 5 MET HE2 1 1 9 4545 1 1 5 MET HE3 H 9.822 5.655 -6.616 1.00 . A A . 5 MET HE3 1 1 9 4546 1 1 5 MET HG2 H 7.699 2.258 -6.673 1.00 . A A . 5 MET HG2 1 1 9 4547 1 1 5 MET HG3 H 8.374 2.522 -5.067 1.00 . A A . 5 MET HG3 1 1 9 4548 1 1 5 MET N N 8.555 -1.375 -4.859 1.00 . A A . 5 MET N 1 1 9 4549 1 1 5 MET O O 7.203 -1.454 -7.265 1.00 . A A . 5 MET O 1 1 9 4550 1 1 5 MET SD S 9.837 3.280 -6.774 1.00 . A A . 5 MET SD 1 1 9 4551 1 1 6 PHE C C 3.866 -1.366 -6.949 1.00 . A A . 6 PHE C 1 1 9 4552 1 1 6 PHE CA C 4.667 -0.126 -7.347 1.00 . A A . 6 PHE CA 1 1 9 4553 1 1 6 PHE CB C 5.065 -0.157 -8.843 1.00 . A A . 6 PHE CB 1 1 9 4554 1 1 6 PHE CD1 C 7.051 1.304 -9.293 1.00 . A A . 6 PHE CD1 1 1 9 4555 1 1 6 PHE CD2 C 4.891 2.139 -9.843 1.00 . A A . 6 PHE CD2 1 1 9 4556 1 1 6 PHE CE1 C 7.628 2.468 -9.735 1.00 . A A . 6 PHE CE1 1 1 9 4557 1 1 6 PHE CE2 C 5.461 3.314 -10.293 1.00 . A A . 6 PHE CE2 1 1 9 4558 1 1 6 PHE CG C 5.680 1.122 -9.340 1.00 . A A . 6 PHE CG 1 1 9 4559 1 1 6 PHE CZ C 6.834 3.479 -10.238 1.00 . A A . 6 PHE CZ 1 1 9 4560 1 1 6 PHE H H 5.701 0.791 -5.727 1.00 . A A . 6 PHE H 1 1 9 4561 1 1 6 PHE HA H 4.007 0.714 -7.182 1.00 . A A . 6 PHE HA 1 1 9 4562 1 1 6 PHE HB2 H 5.784 -0.948 -8.994 1.00 . A A . 6 PHE HB2 1 1 9 4563 1 1 6 PHE HB3 H 4.185 -0.361 -9.436 1.00 . A A . 6 PHE HB3 1 1 9 4564 1 1 6 PHE HD1 H 7.674 0.514 -8.901 1.00 . A A . 6 PHE HD1 1 1 9 4565 1 1 6 PHE HD2 H 3.820 2.008 -9.883 1.00 . A A . 6 PHE HD2 1 1 9 4566 1 1 6 PHE HE1 H 8.701 2.575 -9.675 1.00 . A A . 6 PHE HE1 1 1 9 4567 1 1 6 PHE HE2 H 4.837 4.104 -10.684 1.00 . A A . 6 PHE HE2 1 1 9 4568 1 1 6 PHE HZ H 7.281 4.397 -10.589 1.00 . A A . 6 PHE HZ 1 1 9 4569 1 1 6 PHE N N 5.803 0.110 -6.430 1.00 . A A . 6 PHE N 1 1 9 4570 1 1 6 PHE O O 2.815 -1.653 -7.536 1.00 . A A . 6 PHE O 1 1 9 4571 1 1 7 GLY C C 2.487 -2.693 -4.558 1.00 . A A . 7 GLY C 1 1 9 4572 1 1 7 GLY CA C 3.627 -3.200 -5.398 1.00 . A A . 7 GLY CA 1 1 9 4573 1 1 7 GLY H H 5.222 -1.855 -5.546 1.00 . A A . 7 GLY H 1 1 9 4574 1 1 7 GLY HA2 H 3.241 -3.804 -6.206 1.00 . A A . 7 GLY HA2 1 1 9 4575 1 1 7 GLY HA3 H 4.277 -3.800 -4.778 1.00 . A A . 7 GLY HA3 1 1 9 4576 1 1 7 GLY N N 4.352 -2.081 -5.941 1.00 . A A . 7 GLY N 1 1 9 4577 1 1 7 GLY O O 2.610 -1.639 -3.949 1.00 . A A . 7 GLY O 1 1 9 4578 1 1 8 ASP C C 0.341 -2.873 -2.385 1.00 . A A . 8 ASP C 1 1 9 4579 1 1 8 ASP CA C 0.159 -3.018 -3.851 1.00 . A A . 8 ASP CA 1 1 9 4580 1 1 8 ASP CB C -0.931 -4.038 -4.116 1.00 . A A . 8 ASP CB 1 1 9 4581 1 1 8 ASP CG C -2.220 -3.798 -3.352 1.00 . A A . 8 ASP CG 1 1 9 4582 1 1 8 ASP H H 1.444 -4.311 -4.961 1.00 . A A . 8 ASP H 1 1 9 4583 1 1 8 ASP HA H -0.161 -2.073 -4.264 1.00 . A A . 8 ASP HA 1 1 9 4584 1 1 8 ASP HB2 H -1.153 -3.940 -5.162 1.00 . A A . 8 ASP HB2 1 1 9 4585 1 1 8 ASP HB3 H -0.552 -5.022 -3.890 1.00 . A A . 8 ASP HB3 1 1 9 4586 1 1 8 ASP N N 1.404 -3.431 -4.531 1.00 . A A . 8 ASP N 1 1 9 4587 1 1 8 ASP O O 1.057 -3.642 -1.768 1.00 . A A . 8 ASP O 1 1 9 4588 1 1 8 ASP OD1 O -3.010 -2.935 -3.761 1.00 . A A . 8 ASP OD1 1 1 9 4589 1 1 8 ASP OD2 O -2.487 -4.508 -2.347 1.00 . A A . 8 ASP OD2 1 1 9 4590 1 1 9 CYS C C -1.395 -1.135 0.179 1.00 . A A . 9 CYS C 1 1 9 4591 1 1 9 CYS CA C -0.176 -1.777 -0.408 1.00 . A A . 9 CYS CA 1 1 9 4592 1 1 9 CYS CB C 1.059 -0.962 -0.080 1.00 . A A . 9 CYS CB 1 1 9 4593 1 1 9 CYS H H -0.866 -1.318 -2.338 1.00 . A A . 9 CYS H 1 1 9 4594 1 1 9 CYS HA H -0.052 -2.758 0.023 1.00 . A A . 9 CYS HA 1 1 9 4595 1 1 9 CYS HB2 H 1.381 -1.153 0.932 1.00 . A A . 9 CYS HB2 1 1 9 4596 1 1 9 CYS HB3 H 1.798 -1.321 -0.783 1.00 . A A . 9 CYS HB3 1 1 9 4597 1 1 9 CYS N N -0.302 -1.928 -1.812 1.00 . A A . 9 CYS N 1 1 9 4598 1 1 9 CYS O O -2.111 -0.366 -0.497 1.00 . A A . 9 CYS O 1 1 9 4599 1 1 9 CYS SG S 0.884 0.839 -0.332 1.00 . A A . 9 CYS SG 1 1 9 4600 1 1 10 GLU C C -2.092 -0.499 3.514 1.00 . A A . 10 GLU C 1 1 9 4601 1 1 10 GLU CA C -2.702 -0.922 2.179 1.00 . A A . 10 GLU CA 1 1 9 4602 1 1 10 GLU CB C -3.863 -1.884 2.369 1.00 . A A . 10 GLU CB 1 1 9 4603 1 1 10 GLU CD C -5.710 -3.161 1.227 1.00 . A A . 10 GLU CD 1 1 9 4604 1 1 10 GLU CG C -4.572 -2.211 1.068 1.00 . A A . 10 GLU CG 1 1 9 4605 1 1 10 GLU H H -1.201 -2.297 1.761 1.00 . A A . 10 GLU H 1 1 9 4606 1 1 10 GLU HA H -3.045 -0.040 1.660 1.00 . A A . 10 GLU HA 1 1 9 4607 1 1 10 GLU HB2 H -3.486 -2.801 2.799 1.00 . A A . 10 GLU HB2 1 1 9 4608 1 1 10 GLU HB3 H -4.569 -1.437 3.050 1.00 . A A . 10 GLU HB3 1 1 9 4609 1 1 10 GLU HG2 H -4.956 -1.294 0.646 1.00 . A A . 10 GLU HG2 1 1 9 4610 1 1 10 GLU HG3 H -3.852 -2.638 0.386 1.00 . A A . 10 GLU HG3 1 1 9 4611 1 1 10 GLU N N -1.685 -1.524 1.384 1.00 . A A . 10 GLU N 1 1 9 4612 1 1 10 GLU O O -2.590 0.406 4.188 1.00 . A A . 10 GLU O 1 1 9 4613 1 1 10 GLU OE1 O -6.868 -2.704 1.394 1.00 . A A . 10 GLU OE1 1 1 9 4614 1 1 10 GLU OE2 O -5.487 -4.378 1.169 1.00 . A A . 10 GLU OE2 1 1 9 4615 1 1 11 LYS C C 1.204 -0.936 4.726 1.00 . A A . 11 LYS C 1 1 9 4616 1 1 11 LYS CA C -0.259 -0.845 5.056 1.00 . A A . 11 LYS CA 1 1 9 4617 1 1 11 LYS CB C -0.643 -1.803 6.198 1.00 . A A . 11 LYS CB 1 1 9 4618 1 1 11 LYS CD C -1.195 -4.155 6.927 1.00 . A A . 11 LYS CD 1 1 9 4619 1 1 11 LYS CE C -1.560 -5.562 6.452 1.00 . A A . 11 LYS CE 1 1 9 4620 1 1 11 LYS CG C -0.791 -3.261 5.770 1.00 . A A . 11 LYS CG 1 1 9 4621 1 1 11 LYS H H -0.609 -1.881 3.347 1.00 . A A . 11 LYS H 1 1 9 4622 1 1 11 LYS HA H -0.492 0.169 5.346 1.00 . A A . 11 LYS HA 1 1 9 4623 1 1 11 LYS HB2 H 0.127 -1.753 6.954 1.00 . A A . 11 LYS HB2 1 1 9 4624 1 1 11 LYS HB3 H -1.573 -1.468 6.628 1.00 . A A . 11 LYS HB3 1 1 9 4625 1 1 11 LYS HD2 H -0.372 -4.224 7.622 1.00 . A A . 11 LYS HD2 1 1 9 4626 1 1 11 LYS HD3 H -2.050 -3.719 7.422 1.00 . A A . 11 LYS HD3 1 1 9 4627 1 1 11 LYS HE2 H -1.834 -6.156 7.310 1.00 . A A . 11 LYS HE2 1 1 9 4628 1 1 11 LYS HE3 H -2.409 -5.489 5.788 1.00 . A A . 11 LYS HE3 1 1 9 4629 1 1 11 LYS HG2 H -1.549 -3.321 5.003 1.00 . A A . 11 LYS HG2 1 1 9 4630 1 1 11 LYS HG3 H 0.151 -3.603 5.365 1.00 . A A . 11 LYS HG3 1 1 9 4631 1 1 11 LYS HZ1 H 0.393 -6.343 6.341 1.00 . A A . 11 LYS HZ1 1 1 9 4632 1 1 11 LYS HZ2 H -0.193 -5.786 4.839 1.00 . A A . 11 LYS HZ2 1 1 9 4633 1 1 11 LYS HZ3 H -0.758 -7.204 5.493 1.00 . A A . 11 LYS HZ3 1 1 9 4634 1 1 11 LYS N N -0.999 -1.145 3.877 1.00 . A A . 11 LYS N 1 1 9 4635 1 1 11 LYS NZ N -0.452 -6.243 5.744 1.00 . A A . 11 LYS NZ 1 1 9 4636 1 1 11 LYS O O 1.574 -1.518 3.712 1.00 . A A . 11 LYS O 1 1 9 4637 1 1 12 ASP C C 4.078 -1.767 5.434 1.00 . A A . 12 ASP C 1 1 9 4638 1 1 12 ASP CA C 3.499 -0.390 5.313 1.00 . A A . 12 ASP CA 1 1 9 4639 1 1 12 ASP CB C 4.258 0.563 6.233 1.00 . A A . 12 ASP CB 1 1 9 4640 1 1 12 ASP CG C 3.775 1.969 6.136 1.00 . A A . 12 ASP CG 1 1 9 4641 1 1 12 ASP H H 1.676 -0.028 6.409 1.00 . A A . 12 ASP H 1 1 9 4642 1 1 12 ASP HA H 3.626 -0.069 4.289 1.00 . A A . 12 ASP HA 1 1 9 4643 1 1 12 ASP HB2 H 4.140 0.243 7.255 1.00 . A A . 12 ASP HB2 1 1 9 4644 1 1 12 ASP HB3 H 5.306 0.541 5.973 1.00 . A A . 12 ASP HB3 1 1 9 4645 1 1 12 ASP N N 2.042 -0.411 5.580 1.00 . A A . 12 ASP N 1 1 9 4646 1 1 12 ASP O O 5.170 -2.041 4.953 1.00 . A A . 12 ASP O 1 1 9 4647 1 1 12 ASP OD1 O 3.946 2.597 5.084 1.00 . A A . 12 ASP OD1 1 1 9 4648 1 1 12 ASP OD2 O 3.184 2.475 7.128 1.00 . A A . 12 ASP OD2 1 1 9 4649 1 1 13 GLU C C 3.810 -4.762 4.980 1.00 . A A . 13 GLU C 1 1 9 4650 1 1 13 GLU CA C 3.682 -4.023 6.276 1.00 . A A . 13 GLU CA 1 1 9 4651 1 1 13 GLU CB C 2.617 -4.704 7.096 1.00 . A A . 13 GLU CB 1 1 9 4652 1 1 13 GLU CD C 3.746 -4.319 9.270 1.00 . A A . 13 GLU CD 1 1 9 4653 1 1 13 GLU CG C 2.477 -4.147 8.489 1.00 . A A . 13 GLU CG 1 1 9 4654 1 1 13 GLU H H 2.428 -2.319 6.340 1.00 . A A . 13 GLU H 1 1 9 4655 1 1 13 GLU HA H 4.610 -4.060 6.825 1.00 . A A . 13 GLU HA 1 1 9 4656 1 1 13 GLU HB2 H 1.684 -4.600 6.561 1.00 . A A . 13 GLU HB2 1 1 9 4657 1 1 13 GLU HB3 H 2.857 -5.754 7.156 1.00 . A A . 13 GLU HB3 1 1 9 4658 1 1 13 GLU HG2 H 2.243 -3.096 8.421 1.00 . A A . 13 GLU HG2 1 1 9 4659 1 1 13 GLU HG3 H 1.679 -4.664 9.001 1.00 . A A . 13 GLU HG3 1 1 9 4660 1 1 13 GLU N N 3.307 -2.639 6.049 1.00 . A A . 13 GLU N 1 1 9 4661 1 1 13 GLU O O 4.587 -5.707 4.865 1.00 . A A . 13 GLU O 1 1 9 4662 1 1 13 GLU OE1 O 4.002 -5.426 9.748 1.00 . A A . 13 GLU OE1 1 1 9 4663 1 1 13 GLU OE2 O 4.515 -3.342 9.416 1.00 . A A . 13 GLU OE2 1 1 9 4664 1 1 14 ASP C C 4.313 -4.699 1.980 1.00 . A A . 14 ASP C 1 1 9 4665 1 1 14 ASP CA C 3.016 -4.964 2.723 1.00 . A A . 14 ASP CA 1 1 9 4666 1 1 14 ASP CB C 1.821 -4.464 1.884 1.00 . A A . 14 ASP CB 1 1 9 4667 1 1 14 ASP CG C 0.481 -4.499 2.604 1.00 . A A . 14 ASP CG 1 1 9 4668 1 1 14 ASP H H 2.530 -3.494 4.132 1.00 . A A . 14 ASP H 1 1 9 4669 1 1 14 ASP HA H 2.908 -6.023 2.896 1.00 . A A . 14 ASP HA 1 1 9 4670 1 1 14 ASP HB2 H 2.001 -3.453 1.553 1.00 . A A . 14 ASP HB2 1 1 9 4671 1 1 14 ASP HB3 H 1.745 -5.109 1.026 1.00 . A A . 14 ASP HB3 1 1 9 4672 1 1 14 ASP N N 3.061 -4.310 3.999 1.00 . A A . 14 ASP N 1 1 9 4673 1 1 14 ASP O O 4.812 -5.538 1.234 1.00 . A A . 14 ASP O 1 1 9 4674 1 1 14 ASP OD1 O 0.120 -5.538 3.215 1.00 . A A . 14 ASP OD1 1 1 9 4675 1 1 14 ASP OD2 O -0.251 -3.496 2.560 1.00 . A A . 14 ASP OD2 1 1 9 4676 1 1 15 CYS C C 7.310 -3.466 2.384 1.00 . A A . 15 CYS C 1 1 9 4677 1 1 15 CYS CA C 6.078 -3.116 1.582 1.00 . A A . 15 CYS CA 1 1 9 4678 1 1 15 CYS CB C 6.035 -1.613 1.411 1.00 . A A . 15 CYS CB 1 1 9 4679 1 1 15 CYS H H 4.511 -2.997 2.963 1.00 . A A . 15 CYS H 1 1 9 4680 1 1 15 CYS HA H 6.124 -3.569 0.603 1.00 . A A . 15 CYS HA 1 1 9 4681 1 1 15 CYS HB2 H 6.286 -1.145 2.349 1.00 . A A . 15 CYS HB2 1 1 9 4682 1 1 15 CYS HB3 H 6.788 -1.337 0.688 1.00 . A A . 15 CYS HB3 1 1 9 4683 1 1 15 CYS N N 4.888 -3.559 2.256 1.00 . A A . 15 CYS N 1 1 9 4684 1 1 15 CYS O O 7.251 -3.653 3.614 1.00 . A A . 15 CYS O 1 1 9 4685 1 1 15 CYS SG S 4.441 -0.995 0.813 1.00 . A A . 15 CYS SG 1 1 9 4686 1 1 16 CYS C C 10.094 -2.623 3.215 1.00 . A A . 16 CYS C 1 1 9 4687 1 1 16 CYS CA C 9.714 -3.795 2.288 1.00 . A A . 16 CYS CA 1 1 9 4688 1 1 16 CYS CB C 10.731 -3.924 1.178 1.00 . A A . 16 CYS CB 1 1 9 4689 1 1 16 CYS H H 8.357 -3.557 0.714 1.00 . A A . 16 CYS H 1 1 9 4690 1 1 16 CYS HA H 9.684 -4.717 2.850 1.00 . A A . 16 CYS HA 1 1 9 4691 1 1 16 CYS HB2 H 10.945 -2.943 0.796 1.00 . A A . 16 CYS HB2 1 1 9 4692 1 1 16 CYS HB3 H 11.662 -4.309 1.554 1.00 . A A . 16 CYS HB3 1 1 9 4693 1 1 16 CYS N N 8.411 -3.575 1.693 1.00 . A A . 16 CYS N 1 1 9 4694 1 1 16 CYS O O 9.442 -1.565 3.208 1.00 . A A . 16 CYS O 1 1 9 4695 1 1 16 CYS SG S 10.203 -5.048 -0.140 1.00 . A A . 16 CYS SG 1 1 9 4696 1 1 17 LYS C C 12.108 -0.578 4.367 1.00 . A A . 17 LYS C 1 1 9 4697 1 1 17 LYS CA C 11.579 -1.837 4.981 1.00 . A A . 17 LYS CA 1 1 9 4698 1 1 17 LYS CB C 12.646 -2.445 5.851 1.00 . A A . 17 LYS CB 1 1 9 4699 1 1 17 LYS CD C 11.054 -3.638 7.380 1.00 . A A . 17 LYS CD 1 1 9 4700 1 1 17 LYS CE C 10.634 -4.986 7.938 1.00 . A A . 17 LYS CE 1 1 9 4701 1 1 17 LYS CG C 12.263 -3.760 6.463 1.00 . A A . 17 LYS CG 1 1 9 4702 1 1 17 LYS H H 11.718 -3.582 3.757 1.00 . A A . 17 LYS H 1 1 9 4703 1 1 17 LYS HA H 10.724 -1.595 5.592 1.00 . A A . 17 LYS HA 1 1 9 4704 1 1 17 LYS HB2 H 13.537 -2.590 5.261 1.00 . A A . 17 LYS HB2 1 1 9 4705 1 1 17 LYS HB3 H 12.863 -1.752 6.648 1.00 . A A . 17 LYS HB3 1 1 9 4706 1 1 17 LYS HD2 H 11.303 -2.984 8.202 1.00 . A A . 17 LYS HD2 1 1 9 4707 1 1 17 LYS HD3 H 10.230 -3.217 6.822 1.00 . A A . 17 LYS HD3 1 1 9 4708 1 1 17 LYS HE2 H 10.492 -5.675 7.119 1.00 . A A . 17 LYS HE2 1 1 9 4709 1 1 17 LYS HE3 H 11.421 -5.349 8.583 1.00 . A A . 17 LYS HE3 1 1 9 4710 1 1 17 LYS HG2 H 12.037 -4.449 5.664 1.00 . A A . 17 LYS HG2 1 1 9 4711 1 1 17 LYS HG3 H 13.137 -4.086 6.995 1.00 . A A . 17 LYS HG3 1 1 9 4712 1 1 17 LYS HZ1 H 9.450 -4.202 9.485 1.00 . A A . 17 LYS HZ1 1 1 9 4713 1 1 17 LYS HZ2 H 9.124 -5.811 9.137 1.00 . A A . 17 LYS HZ2 1 1 9 4714 1 1 17 LYS HZ3 H 8.587 -4.606 8.105 1.00 . A A . 17 LYS HZ3 1 1 9 4715 1 1 17 LYS N N 11.164 -2.792 3.945 1.00 . A A . 17 LYS N 1 1 9 4716 1 1 17 LYS NZ N 9.378 -4.897 8.714 1.00 . A A . 17 LYS NZ 1 1 9 4717 1 1 17 LYS O O 11.804 0.523 4.811 1.00 . A A . 17 LYS O 1 1 9 4718 1 1 18 HIS C C 12.373 1.165 1.807 1.00 . A A . 18 HIS C 1 1 9 4719 1 1 18 HIS CA C 13.456 0.365 2.537 1.00 . A A . 18 HIS CA 1 1 9 4720 1 1 18 HIS CB C 14.475 -0.121 1.492 1.00 . A A . 18 HIS CB 1 1 9 4721 1 1 18 HIS CD2 C 16.781 0.165 2.592 1.00 . A A . 18 HIS CD2 1 1 9 4722 1 1 18 HIS CE1 C 17.482 -1.872 2.487 1.00 . A A . 18 HIS CE1 1 1 9 4723 1 1 18 HIS CG C 15.790 -0.562 2.037 1.00 . A A . 18 HIS CG 1 1 9 4724 1 1 18 HIS H H 13.140 -1.697 3.183 1.00 . A A . 18 HIS H 1 1 9 4725 1 1 18 HIS HA H 13.964 1.029 3.221 1.00 . A A . 18 HIS HA 1 1 9 4726 1 1 18 HIS HB2 H 14.056 -0.952 0.944 1.00 . A A . 18 HIS HB2 1 1 9 4727 1 1 18 HIS HB3 H 14.658 0.686 0.798 1.00 . A A . 18 HIS HB3 1 1 9 4728 1 1 18 HIS HD1 H 15.768 -2.634 1.639 1.00 . A A . 18 HIS HD1 1 1 9 4729 1 1 18 HIS HD2 H 16.750 1.227 2.790 1.00 . A A . 18 HIS HD2 1 1 9 4730 1 1 18 HIS HE1 H 18.094 -2.758 2.567 1.00 . A A . 18 HIS HE1 1 1 9 4731 1 1 18 HIS N N 12.900 -0.757 3.342 1.00 . A A . 18 HIS N 1 1 9 4732 1 1 18 HIS ND1 N 16.253 -1.850 1.982 1.00 . A A . 18 HIS ND1 1 1 9 4733 1 1 18 HIS NE2 N 17.856 -0.667 2.874 1.00 . A A . 18 HIS NE2 1 1 9 4734 1 1 18 HIS O O 12.676 2.109 1.088 1.00 . A A . 18 HIS O 1 1 9 4735 1 1 19 LEU C C 8.994 1.819 2.323 1.00 . A A . 19 LEU C 1 1 9 4736 1 1 19 LEU CA C 10.058 1.440 1.328 1.00 . A A . 19 LEU CA 1 1 9 4737 1 1 19 LEU CB C 9.451 0.569 0.222 1.00 . A A . 19 LEU CB 1 1 9 4738 1 1 19 LEU CD1 C 11.208 -0.854 -0.903 1.00 . A A . 19 LEU CD1 1 1 9 4739 1 1 19 LEU CD2 C 9.427 0.257 -2.231 1.00 . A A . 19 LEU CD2 1 1 9 4740 1 1 19 LEU CG C 10.301 0.352 -1.024 1.00 . A A . 19 LEU CG 1 1 9 4741 1 1 19 LEU H H 10.927 0.063 2.603 1.00 . A A . 19 LEU H 1 1 9 4742 1 1 19 LEU HA H 10.443 2.342 0.874 1.00 . A A . 19 LEU HA 1 1 9 4743 1 1 19 LEU HB2 H 9.243 -0.401 0.650 1.00 . A A . 19 LEU HB2 1 1 9 4744 1 1 19 LEU HB3 H 8.510 1.007 -0.079 1.00 . A A . 19 LEU HB3 1 1 9 4745 1 1 19 LEU HD11 H 11.843 -0.752 -0.036 1.00 . A A . 19 LEU HD11 1 1 9 4746 1 1 19 LEU HD12 H 11.815 -0.919 -1.794 1.00 . A A . 19 LEU HD12 1 1 9 4747 1 1 19 LEU HD13 H 10.603 -1.745 -0.820 1.00 . A A . 19 LEU HD13 1 1 9 4748 1 1 19 LEU HD21 H 10.041 0.116 -3.108 1.00 . A A . 19 LEU HD21 1 1 9 4749 1 1 19 LEU HD22 H 8.859 1.171 -2.330 1.00 . A A . 19 LEU HD22 1 1 9 4750 1 1 19 LEU HD23 H 8.755 -0.582 -2.124 1.00 . A A . 19 LEU HD23 1 1 9 4751 1 1 19 LEU HG H 10.941 1.212 -1.151 1.00 . A A . 19 LEU HG 1 1 9 4752 1 1 19 LEU N N 11.140 0.787 1.977 1.00 . A A . 19 LEU N 1 1 9 4753 1 1 19 LEU O O 9.171 1.663 3.539 1.00 . A A . 19 LEU O 1 1 9 4754 1 1 20 GLY C C 5.573 2.616 1.730 1.00 . A A . 20 GLY C 1 1 9 4755 1 1 20 GLY CA C 6.792 2.683 2.593 1.00 . A A . 20 GLY CA 1 1 9 4756 1 1 20 GLY H H 7.892 2.547 0.847 1.00 . A A . 20 GLY H 1 1 9 4757 1 1 20 GLY HA2 H 6.705 1.991 3.417 1.00 . A A . 20 GLY HA2 1 1 9 4758 1 1 20 GLY HA3 H 6.904 3.691 2.965 1.00 . A A . 20 GLY HA3 1 1 9 4759 1 1 20 GLY N N 7.927 2.349 1.812 1.00 . A A . 20 GLY N 1 1 9 4760 1 1 20 GLY O O 5.692 2.642 0.496 1.00 . A A . 20 GLY O 1 1 9 4761 1 1 21 CYS C C 2.665 3.801 1.217 1.00 . A A . 21 CYS C 1 1 9 4762 1 1 21 CYS CA C 3.211 2.424 1.557 1.00 . A A . 21 CYS CA 1 1 9 4763 1 1 21 CYS CB C 2.160 1.611 2.322 1.00 . A A . 21 CYS CB 1 1 9 4764 1 1 21 CYS H H 4.368 2.526 3.311 1.00 . A A . 21 CYS H 1 1 9 4765 1 1 21 CYS HA H 3.439 1.905 0.639 1.00 . A A . 21 CYS HA 1 1 9 4766 1 1 21 CYS HB2 H 2.508 0.593 2.420 1.00 . A A . 21 CYS HB2 1 1 9 4767 1 1 21 CYS HB3 H 2.040 2.037 3.307 1.00 . A A . 21 CYS HB3 1 1 9 4768 1 1 21 CYS N N 4.427 2.522 2.323 1.00 . A A . 21 CYS N 1 1 9 4769 1 1 21 CYS O O 2.599 4.690 2.073 1.00 . A A . 21 CYS O 1 1 9 4770 1 1 21 CYS SG S 0.512 1.550 1.534 1.00 . A A . 21 CYS SG 1 1 9 4771 1 1 22 LYS C C 0.236 4.955 -0.616 1.00 . A A . 22 LYS C 1 1 9 4772 1 1 22 LYS CA C 1.669 5.205 -0.410 1.00 . A A . 22 LYS CA 1 1 9 4773 1 1 22 LYS CB C 2.280 5.862 -1.626 1.00 . A A . 22 LYS CB 1 1 9 4774 1 1 22 LYS CD C 3.395 7.671 -0.333 1.00 . A A . 22 LYS CD 1 1 9 4775 1 1 22 LYS CE C 4.697 8.422 -0.120 1.00 . A A . 22 LYS CE 1 1 9 4776 1 1 22 LYS CG C 3.575 6.539 -1.331 1.00 . A A . 22 LYS CG 1 1 9 4777 1 1 22 LYS H H 2.513 3.331 -0.710 1.00 . A A . 22 LYS H 1 1 9 4778 1 1 22 LYS HA H 1.751 5.882 0.425 1.00 . A A . 22 LYS HA 1 1 9 4779 1 1 22 LYS HB2 H 2.450 5.107 -2.379 1.00 . A A . 22 LYS HB2 1 1 9 4780 1 1 22 LYS HB3 H 1.586 6.593 -2.011 1.00 . A A . 22 LYS HB3 1 1 9 4781 1 1 22 LYS HD2 H 2.630 8.343 -0.693 1.00 . A A . 22 LYS HD2 1 1 9 4782 1 1 22 LYS HD3 H 3.064 7.256 0.611 1.00 . A A . 22 LYS HD3 1 1 9 4783 1 1 22 LYS HE2 H 4.524 9.234 0.572 1.00 . A A . 22 LYS HE2 1 1 9 4784 1 1 22 LYS HE3 H 5.425 7.744 0.301 1.00 . A A . 22 LYS HE3 1 1 9 4785 1 1 22 LYS HG2 H 4.188 5.784 -0.871 1.00 . A A . 22 LYS HG2 1 1 9 4786 1 1 22 LYS HG3 H 4.027 6.909 -2.241 1.00 . A A . 22 LYS HG3 1 1 9 4787 1 1 22 LYS HZ1 H 6.101 9.510 -1.200 1.00 . A A . 22 LYS HZ1 1 1 9 4788 1 1 22 LYS HZ2 H 4.552 9.605 -1.857 1.00 . A A . 22 LYS HZ2 1 1 9 4789 1 1 22 LYS HZ3 H 5.480 8.221 -2.051 1.00 . A A . 22 LYS HZ3 1 1 9 4790 1 1 22 LYS N N 2.327 4.006 -0.020 1.00 . A A . 22 LYS N 1 1 9 4791 1 1 22 LYS NZ N 5.227 8.976 -1.382 1.00 . A A . 22 LYS NZ 1 1 9 4792 1 1 22 LYS O O -0.177 4.384 -1.621 1.00 . A A . 22 LYS O 1 1 9 4793 1 1 23 ARG C C -2.615 6.174 -0.726 1.00 . A A . 23 ARG C 1 1 9 4794 1 1 23 ARG CA C -1.960 5.283 0.320 1.00 . A A . 23 ARG CA 1 1 9 4795 1 1 23 ARG CB C -2.538 5.613 1.701 1.00 . A A . 23 ARG CB 1 1 9 4796 1 1 23 ARG CD C -0.691 4.922 3.360 1.00 . A A . 23 ARG CD 1 1 9 4797 1 1 23 ARG CG C -2.115 4.708 2.860 1.00 . A A . 23 ARG CG 1 1 9 4798 1 1 23 ARG CZ C 0.691 3.848 5.155 1.00 . A A . 23 ARG CZ 1 1 9 4799 1 1 23 ARG H H -0.103 5.987 1.004 1.00 . A A . 23 ARG H 1 1 9 4800 1 1 23 ARG HA H -2.179 4.253 0.087 1.00 . A A . 23 ARG HA 1 1 9 4801 1 1 23 ARG HB2 H -2.246 6.620 1.956 1.00 . A A . 23 ARG HB2 1 1 9 4802 1 1 23 ARG HB3 H -3.616 5.583 1.626 1.00 . A A . 23 ARG HB3 1 1 9 4803 1 1 23 ARG HD2 H 0.002 4.563 2.615 1.00 . A A . 23 ARG HD2 1 1 9 4804 1 1 23 ARG HD3 H -0.529 5.974 3.535 1.00 . A A . 23 ARG HD3 1 1 9 4805 1 1 23 ARG HE H -1.313 3.946 5.087 1.00 . A A . 23 ARG HE 1 1 9 4806 1 1 23 ARG HG2 H -2.777 4.852 3.697 1.00 . A A . 23 ARG HG2 1 1 9 4807 1 1 23 ARG HG3 H -2.185 3.694 2.497 1.00 . A A . 23 ARG HG3 1 1 9 4808 1 1 23 ARG HH11 H 1.882 4.651 3.687 1.00 . A A . 23 ARG HH11 1 1 9 4809 1 1 23 ARG HH12 H 2.707 3.839 4.935 1.00 . A A . 23 ARG HH12 1 1 9 4810 1 1 23 ARG HH21 H -0.108 2.930 6.806 1.00 . A A . 23 ARG HH21 1 1 9 4811 1 1 23 ARG HH22 H 1.606 2.937 6.725 1.00 . A A . 23 ARG HH22 1 1 9 4812 1 1 23 ARG N N -0.529 5.448 0.303 1.00 . A A . 23 ARG N 1 1 9 4813 1 1 23 ARG NE N -0.482 4.189 4.617 1.00 . A A . 23 ARG NE 1 1 9 4814 1 1 23 ARG NH1 N 1.822 4.150 4.557 1.00 . A A . 23 ARG NH1 1 1 9 4815 1 1 23 ARG NH2 N 0.723 3.194 6.304 1.00 . A A . 23 ARG NH2 1 1 9 4816 1 1 23 ARG O O -3.818 6.099 -0.967 1.00 . A A . 23 ARG O 1 1 9 4817 1 1 24 LYS C C -2.305 7.221 -3.680 1.00 . A A . 24 LYS C 1 1 9 4818 1 1 24 LYS CA C -2.312 7.908 -2.344 1.00 . A A . 24 LYS CA 1 1 9 4819 1 1 24 LYS CB C -1.441 9.181 -2.365 1.00 . A A . 24 LYS CB 1 1 9 4820 1 1 24 LYS CD C -3.275 10.749 -3.224 1.00 . A A . 24 LYS CD 1 1 9 4821 1 1 24 LYS CE C -3.487 11.429 -1.877 1.00 . A A . 24 LYS CE 1 1 9 4822 1 1 24 LYS CG C -1.840 10.239 -3.403 1.00 . A A . 24 LYS CG 1 1 9 4823 1 1 24 LYS H H -0.849 6.932 -1.188 1.00 . A A . 24 LYS H 1 1 9 4824 1 1 24 LYS HA H -3.325 8.173 -2.079 1.00 . A A . 24 LYS HA 1 1 9 4825 1 1 24 LYS HB2 H -1.477 9.642 -1.390 1.00 . A A . 24 LYS HB2 1 1 9 4826 1 1 24 LYS HB3 H -0.421 8.886 -2.563 1.00 . A A . 24 LYS HB3 1 1 9 4827 1 1 24 LYS HD2 H -3.496 11.458 -4.007 1.00 . A A . 24 LYS HD2 1 1 9 4828 1 1 24 LYS HD3 H -3.952 9.910 -3.306 1.00 . A A . 24 LYS HD3 1 1 9 4829 1 1 24 LYS HE2 H -3.321 10.709 -1.090 1.00 . A A . 24 LYS HE2 1 1 9 4830 1 1 24 LYS HE3 H -2.779 12.237 -1.778 1.00 . A A . 24 LYS HE3 1 1 9 4831 1 1 24 LYS HG2 H -1.167 11.079 -3.318 1.00 . A A . 24 LYS HG2 1 1 9 4832 1 1 24 LYS HG3 H -1.739 9.805 -4.387 1.00 . A A . 24 LYS HG3 1 1 9 4833 1 1 24 LYS HZ1 H -5.559 11.218 -1.916 1.00 . A A . 24 LYS HZ1 1 1 9 4834 1 1 24 LYS HZ2 H -5.020 12.757 -2.402 1.00 . A A . 24 LYS HZ2 1 1 9 4835 1 1 24 LYS HZ3 H -5.011 12.332 -0.785 1.00 . A A . 24 LYS HZ3 1 1 9 4836 1 1 24 LYS N N -1.817 6.990 -1.363 1.00 . A A . 24 LYS N 1 1 9 4837 1 1 24 LYS NZ N -4.858 11.968 -1.747 1.00 . A A . 24 LYS NZ 1 1 9 4838 1 1 24 LYS O O -3.131 7.496 -4.546 1.00 . A A . 24 LYS O 1 1 9 4839 1 1 25 MET C C -1.524 4.123 -4.940 1.00 . A A . 25 MET C 1 1 9 4840 1 1 25 MET CA C -1.184 5.597 -5.061 1.00 . A A . 25 MET CA 1 1 9 4841 1 1 25 MET CB C 0.234 5.779 -5.560 1.00 . A A . 25 MET CB 1 1 9 4842 1 1 25 MET CE C -0.216 6.624 -8.656 1.00 . A A . 25 MET CE 1 1 9 4843 1 1 25 MET CG C 0.552 7.193 -6.013 1.00 . A A . 25 MET CG 1 1 9 4844 1 1 25 MET H H -0.796 6.096 -3.062 1.00 . A A . 25 MET H 1 1 9 4845 1 1 25 MET HA H -1.849 6.040 -5.787 1.00 . A A . 25 MET HA 1 1 9 4846 1 1 25 MET HB2 H 0.949 5.477 -4.808 1.00 . A A . 25 MET HB2 1 1 9 4847 1 1 25 MET HB3 H 0.357 5.118 -6.396 1.00 . A A . 25 MET HB3 1 1 9 4848 1 1 25 MET HE1 H 0.834 6.669 -8.908 1.00 . A A . 25 MET HE1 1 1 9 4849 1 1 25 MET HE2 H -0.802 6.895 -9.522 1.00 . A A . 25 MET HE2 1 1 9 4850 1 1 25 MET HE3 H -0.473 5.623 -8.347 1.00 . A A . 25 MET HE3 1 1 9 4851 1 1 25 MET HG2 H 0.464 7.855 -5.164 1.00 . A A . 25 MET HG2 1 1 9 4852 1 1 25 MET HG3 H 1.566 7.216 -6.383 1.00 . A A . 25 MET HG3 1 1 9 4853 1 1 25 MET N N -1.370 6.310 -3.826 1.00 . A A . 25 MET N 1 1 9 4854 1 1 25 MET O O -1.559 3.405 -5.940 1.00 . A A . 25 MET O 1 1 9 4855 1 1 25 MET SD S -0.564 7.780 -7.324 1.00 . A A . 25 MET SD 1 1 9 4856 1 1 26 LYS C C -0.903 1.369 -3.663 1.00 . A A . 26 LYS C 1 1 9 4857 1 1 26 LYS CA C -2.049 2.290 -3.345 1.00 . A A . 26 LYS CA 1 1 9 4858 1 1 26 LYS CB C -3.357 1.803 -3.972 1.00 . A A . 26 LYS CB 1 1 9 4859 1 1 26 LYS CD C -4.590 2.871 -2.088 1.00 . A A . 26 LYS CD 1 1 9 4860 1 1 26 LYS CE C -5.825 3.644 -1.654 1.00 . A A . 26 LYS CE 1 1 9 4861 1 1 26 LYS CG C -4.552 2.655 -3.590 1.00 . A A . 26 LYS CG 1 1 9 4862 1 1 26 LYS H H -1.651 4.321 -2.963 1.00 . A A . 26 LYS H 1 1 9 4863 1 1 26 LYS HA H -2.148 2.270 -2.270 1.00 . A A . 26 LYS HA 1 1 9 4864 1 1 26 LYS HB2 H -3.242 1.784 -5.045 1.00 . A A . 26 LYS HB2 1 1 9 4865 1 1 26 LYS HB3 H -3.538 0.793 -3.635 1.00 . A A . 26 LYS HB3 1 1 9 4866 1 1 26 LYS HD2 H -4.555 1.910 -1.596 1.00 . A A . 26 LYS HD2 1 1 9 4867 1 1 26 LYS HD3 H -3.698 3.429 -1.833 1.00 . A A . 26 LYS HD3 1 1 9 4868 1 1 26 LYS HE2 H -5.765 3.851 -0.596 1.00 . A A . 26 LYS HE2 1 1 9 4869 1 1 26 LYS HE3 H -5.848 4.578 -2.195 1.00 . A A . 26 LYS HE3 1 1 9 4870 1 1 26 LYS HG2 H -4.472 3.614 -4.080 1.00 . A A . 26 LYS HG2 1 1 9 4871 1 1 26 LYS HG3 H -5.458 2.159 -3.901 1.00 . A A . 26 LYS HG3 1 1 9 4872 1 1 26 LYS HZ1 H -7.897 3.418 -1.570 1.00 . A A . 26 LYS HZ1 1 1 9 4873 1 1 26 LYS HZ2 H -7.048 1.961 -1.490 1.00 . A A . 26 LYS HZ2 1 1 9 4874 1 1 26 LYS HZ3 H -7.200 2.770 -2.955 1.00 . A A . 26 LYS HZ3 1 1 9 4875 1 1 26 LYS N N -1.731 3.684 -3.703 1.00 . A A . 26 LYS N 1 1 9 4876 1 1 26 LYS NZ N -7.069 2.903 -1.932 1.00 . A A . 26 LYS NZ 1 1 9 4877 1 1 26 LYS O O -1.081 0.162 -3.872 1.00 . A A . 26 LYS O 1 1 9 4878 1 1 27 TYR C C 2.612 1.613 -3.046 1.00 . A A . 27 TYR C 1 1 9 4879 1 1 27 TYR CA C 1.458 1.156 -3.883 1.00 . A A . 27 TYR CA 1 1 9 4880 1 1 27 TYR CB C 1.852 1.081 -5.389 1.00 . A A . 27 TYR CB 1 1 9 4881 1 1 27 TYR CD1 C 3.271 3.186 -5.672 1.00 . A A . 27 TYR CD1 1 1 9 4882 1 1 27 TYR CD2 C 1.575 2.751 -7.274 1.00 . A A . 27 TYR CD2 1 1 9 4883 1 1 27 TYR CE1 C 3.642 4.318 -6.350 1.00 . A A . 27 TYR CE1 1 1 9 4884 1 1 27 TYR CE2 C 1.938 3.892 -7.963 1.00 . A A . 27 TYR CE2 1 1 9 4885 1 1 27 TYR CG C 2.228 2.378 -6.113 1.00 . A A . 27 TYR CG 1 1 9 4886 1 1 27 TYR CZ C 2.974 4.673 -7.496 1.00 . A A . 27 TYR CZ 1 1 9 4887 1 1 27 TYR H H 0.303 2.854 -3.309 1.00 . A A . 27 TYR H 1 1 9 4888 1 1 27 TYR HA H 1.227 0.155 -3.551 1.00 . A A . 27 TYR HA 1 1 9 4889 1 1 27 TYR HB2 H 2.714 0.436 -5.460 1.00 . A A . 27 TYR HB2 1 1 9 4890 1 1 27 TYR HB3 H 1.046 0.605 -5.924 1.00 . A A . 27 TYR HB3 1 1 9 4891 1 1 27 TYR HD1 H 3.792 2.913 -4.765 1.00 . A A . 27 TYR HD1 1 1 9 4892 1 1 27 TYR HD2 H 0.765 2.136 -7.635 1.00 . A A . 27 TYR HD2 1 1 9 4893 1 1 27 TYR HE1 H 4.454 4.920 -5.973 1.00 . A A . 27 TYR HE1 1 1 9 4894 1 1 27 TYR HE2 H 1.410 4.170 -8.862 1.00 . A A . 27 TYR HE2 1 1 9 4895 1 1 27 TYR HH H 4.300 5.792 -8.290 1.00 . A A . 27 TYR HH 1 1 9 4896 1 1 27 TYR N N 0.269 1.921 -3.615 1.00 . A A . 27 TYR N 1 1 9 4897 1 1 27 TYR O O 2.601 2.718 -2.496 1.00 . A A . 27 TYR O 1 1 9 4898 1 1 27 TYR OH O 3.340 5.815 -8.175 1.00 . A A . 27 TYR OH 1 1 9 4899 1 1 28 CYS C C 5.683 2.010 -2.954 1.00 . A A . 28 CYS C 1 1 9 4900 1 1 28 CYS CA C 4.769 1.052 -2.200 1.00 . A A . 28 CYS CA 1 1 9 4901 1 1 28 CYS CB C 5.497 -0.253 -1.911 1.00 . A A . 28 CYS CB 1 1 9 4902 1 1 28 CYS H H 3.488 -0.085 -3.420 1.00 . A A . 28 CYS H 1 1 9 4903 1 1 28 CYS HA H 4.478 1.499 -1.261 1.00 . A A . 28 CYS HA 1 1 9 4904 1 1 28 CYS HB2 H 5.882 -0.660 -2.834 1.00 . A A . 28 CYS HB2 1 1 9 4905 1 1 28 CYS HB3 H 6.322 -0.054 -1.243 1.00 . A A . 28 CYS HB3 1 1 9 4906 1 1 28 CYS N N 3.589 0.780 -2.960 1.00 . A A . 28 CYS N 1 1 9 4907 1 1 28 CYS O O 5.892 1.871 -4.174 1.00 . A A . 28 CYS O 1 1 9 4908 1 1 28 CYS SG S 4.448 -1.523 -1.135 1.00 . A A . 28 CYS SG 1 1 9 4909 1 1 29 ALA C C 8.340 3.885 -1.858 1.00 . A A . 29 ALA C 1 1 9 4910 1 1 29 ALA CA C 7.134 3.936 -2.765 1.00 . A A . 29 ALA CA 1 1 9 4911 1 1 29 ALA CB C 6.526 5.323 -2.798 1.00 . A A . 29 ALA CB 1 1 9 4912 1 1 29 ALA H H 5.954 3.042 -1.291 1.00 . A A . 29 ALA H 1 1 9 4913 1 1 29 ALA HA H 7.414 3.630 -3.762 1.00 . A A . 29 ALA HA 1 1 9 4914 1 1 29 ALA HB1 H 7.248 6.022 -3.193 1.00 . A A . 29 ALA HB1 1 1 9 4915 1 1 29 ALA HB2 H 6.254 5.618 -1.794 1.00 . A A . 29 ALA HB2 1 1 9 4916 1 1 29 ALA HB3 H 5.646 5.319 -3.423 1.00 . A A . 29 ALA HB3 1 1 9 4917 1 1 29 ALA N N 6.190 2.981 -2.245 1.00 . A A . 29 ALA N 1 1 9 4918 1 1 29 ALA O O 8.315 3.130 -0.900 1.00 . A A . 29 ALA O 1 1 9 4919 1 1 30 TRP C C 10.450 5.080 0.137 1.00 . A A . 30 TRP C 1 1 9 4920 1 1 30 TRP CA C 10.593 4.590 -1.289 1.00 . A A . 30 TRP CA 1 1 9 4921 1 1 30 TRP CB C 11.795 5.230 -1.963 1.00 . A A . 30 TRP CB 1 1 9 4922 1 1 30 TRP CD1 C 12.145 4.825 -4.441 1.00 . A A . 30 TRP CD1 1 1 9 4923 1 1 30 TRP CD2 C 12.910 3.235 -3.112 1.00 . A A . 30 TRP CD2 1 1 9 4924 1 1 30 TRP CE2 C 13.183 2.854 -4.423 1.00 . A A . 30 TRP CE2 1 1 9 4925 1 1 30 TRP CE3 C 13.281 2.418 -2.081 1.00 . A A . 30 TRP CE3 1 1 9 4926 1 1 30 TRP CG C 12.262 4.480 -3.146 1.00 . A A . 30 TRP CG 1 1 9 4927 1 1 30 TRP CH2 C 14.192 0.860 -3.675 1.00 . A A . 30 TRP CH2 1 1 9 4928 1 1 30 TRP CZ2 C 13.828 1.659 -4.726 1.00 . A A . 30 TRP CZ2 1 1 9 4929 1 1 30 TRP CZ3 C 13.920 1.232 -2.358 1.00 . A A . 30 TRP CZ3 1 1 9 4930 1 1 30 TRP H H 9.310 5.367 -2.804 1.00 . A A . 30 TRP H 1 1 9 4931 1 1 30 TRP HA H 10.782 3.531 -1.222 1.00 . A A . 30 TRP HA 1 1 9 4932 1 1 30 TRP HB2 H 11.551 6.228 -2.278 1.00 . A A . 30 TRP HB2 1 1 9 4933 1 1 30 TRP HB3 H 12.608 5.273 -1.255 1.00 . A A . 30 TRP HB3 1 1 9 4934 1 1 30 TRP HD1 H 11.674 5.741 -4.765 1.00 . A A . 30 TRP HD1 1 1 9 4935 1 1 30 TRP HE1 H 12.754 3.862 -6.213 1.00 . A A . 30 TRP HE1 1 1 9 4936 1 1 30 TRP HE3 H 13.040 2.759 -1.087 1.00 . A A . 30 TRP HE3 1 1 9 4937 1 1 30 TRP HH2 H 14.695 -0.080 -3.848 1.00 . A A . 30 TRP HH2 1 1 9 4938 1 1 30 TRP HZ2 H 14.043 1.363 -5.742 1.00 . A A . 30 TRP HZ2 1 1 9 4939 1 1 30 TRP HZ3 H 14.220 0.578 -1.552 1.00 . A A . 30 TRP HZ3 1 1 9 4940 1 1 30 TRP N N 9.361 4.689 -2.096 1.00 . A A . 30 TRP N 1 1 9 4941 1 1 30 TRP NE1 N 12.708 3.849 -5.232 1.00 . A A . 30 TRP NE1 1 1 9 4942 1 1 30 TRP O O 11.372 4.960 0.933 1.00 . A A . 30 TRP O 1 1 9 4943 1 1 31 ASP C C 7.533 6.179 1.853 1.00 . A A . 31 ASP C 1 1 9 4944 1 1 31 ASP CA C 9.019 6.055 1.762 1.00 . A A . 31 ASP CA 1 1 9 4945 1 1 31 ASP CB C 9.705 7.401 2.088 1.00 . A A . 31 ASP CB 1 1 9 4946 1 1 31 ASP CG C 9.128 8.585 1.370 1.00 . A A . 31 ASP CG 1 1 9 4947 1 1 31 ASP H H 8.568 5.648 -0.174 1.00 . A A . 31 ASP H 1 1 9 4948 1 1 31 ASP HA H 9.349 5.299 2.459 1.00 . A A . 31 ASP HA 1 1 9 4949 1 1 31 ASP HB2 H 9.612 7.590 3.145 1.00 . A A . 31 ASP HB2 1 1 9 4950 1 1 31 ASP HB3 H 10.752 7.318 1.835 1.00 . A A . 31 ASP HB3 1 1 9 4951 1 1 31 ASP N N 9.309 5.595 0.461 1.00 . A A . 31 ASP N 1 1 9 4952 1 1 31 ASP O O 6.841 6.180 0.835 1.00 . A A . 31 ASP O 1 1 9 4953 1 1 31 ASP OD1 O 8.237 9.238 1.914 1.00 . A A . 31 ASP OD1 1 1 9 4954 1 1 31 ASP OD2 O 9.573 8.909 0.250 1.00 . A A . 31 ASP OD2 1 1 9 4955 1 1 32 PHE C C 5.201 7.731 3.685 1.00 . A A . 32 PHE C 1 1 9 4956 1 1 32 PHE CA C 5.627 6.327 3.299 1.00 . A A . 32 PHE CA 1 1 9 4957 1 1 32 PHE CB C 5.208 5.336 4.399 1.00 . A A . 32 PHE CB 1 1 9 4958 1 1 32 PHE CD1 C 6.887 4.287 5.963 1.00 . A A . 32 PHE CD1 1 1 9 4959 1 1 32 PHE CD2 C 5.998 6.420 6.554 1.00 . A A . 32 PHE CD2 1 1 9 4960 1 1 32 PHE CE1 C 7.648 4.285 7.116 1.00 . A A . 32 PHE CE1 1 1 9 4961 1 1 32 PHE CE2 C 6.759 6.421 7.704 1.00 . A A . 32 PHE CE2 1 1 9 4962 1 1 32 PHE CG C 6.049 5.354 5.665 1.00 . A A . 32 PHE CG 1 1 9 4963 1 1 32 PHE CZ C 7.584 5.354 7.986 1.00 . A A . 32 PHE CZ 1 1 9 4964 1 1 32 PHE H H 7.731 6.204 3.738 1.00 . A A . 32 PHE H 1 1 9 4965 1 1 32 PHE HA H 5.110 6.048 2.391 1.00 . A A . 32 PHE HA 1 1 9 4966 1 1 32 PHE HB2 H 4.194 5.567 4.693 1.00 . A A . 32 PHE HB2 1 1 9 4967 1 1 32 PHE HB3 H 5.223 4.333 3.999 1.00 . A A . 32 PHE HB3 1 1 9 4968 1 1 32 PHE HD1 H 6.941 3.450 5.285 1.00 . A A . 32 PHE HD1 1 1 9 4969 1 1 32 PHE HD2 H 5.354 7.259 6.333 1.00 . A A . 32 PHE HD2 1 1 9 4970 1 1 32 PHE HE1 H 8.295 3.451 7.338 1.00 . A A . 32 PHE HE1 1 1 9 4971 1 1 32 PHE HE2 H 6.709 7.259 8.386 1.00 . A A . 32 PHE HE2 1 1 9 4972 1 1 32 PHE HZ H 8.179 5.353 8.888 1.00 . A A . 32 PHE HZ 1 1 9 4973 1 1 32 PHE N N 7.057 6.235 3.031 1.00 . A A . 32 PHE N 1 1 9 4974 1 1 32 PHE O O 4.013 7.989 3.899 1.00 . A A . 32 PHE O 1 1 9 4975 1 1 33 THR C C 5.286 10.818 3.077 1.00 . A A . 33 THR C 1 1 9 4976 1 1 33 THR CA C 5.872 9.958 4.199 1.00 . A A . 33 THR CA 1 1 9 4977 1 1 33 THR CB C 7.147 10.584 4.785 1.00 . A A . 33 THR CB 1 1 9 4978 1 1 33 THR CG2 C 6.865 11.935 5.433 1.00 . A A . 33 THR CG2 1 1 9 4979 1 1 33 THR H H 7.043 8.449 3.400 1.00 . A A . 33 THR H 1 1 9 4980 1 1 33 THR HA H 5.137 9.876 4.985 1.00 . A A . 33 THR HA 1 1 9 4981 1 1 33 THR HB H 7.856 10.700 3.982 1.00 . A A . 33 THR HB 1 1 9 4982 1 1 33 THR HG1 H 6.929 9.394 6.325 1.00 . A A . 33 THR HG1 1 1 9 4983 1 1 33 THR HG21 H 6.175 11.797 6.253 1.00 . A A . 33 THR HG21 1 1 9 4984 1 1 33 THR HG22 H 6.428 12.599 4.702 1.00 . A A . 33 THR HG22 1 1 9 4985 1 1 33 THR HG23 H 7.787 12.357 5.804 1.00 . A A . 33 THR HG23 1 1 9 4986 1 1 33 THR N N 6.137 8.634 3.735 1.00 . A A . 33 THR N 1 1 9 4987 1 1 33 THR O O 5.998 11.439 2.290 1.00 . A A . 33 THR O 1 1 9 4988 1 1 33 THR OG1 O 7.677 9.684 5.786 1.00 . A A . 33 THR OG1 1 1 9 4989 1 1 34 PHE C C 3.099 12.941 2.510 1.00 . A A . 34 PHE C 1 1 9 4990 1 1 34 PHE CA C 3.285 11.537 1.990 1.00 . A A . 34 PHE CA 1 1 9 4991 1 1 34 PHE CB C 1.935 10.885 1.674 1.00 . A A . 34 PHE CB 1 1 9 4992 1 1 34 PHE CD1 C 0.010 12.367 1.058 1.00 . A A . 34 PHE CD1 1 1 9 4993 1 1 34 PHE CD2 C 1.466 11.623 -0.670 1.00 . A A . 34 PHE CD2 1 1 9 4994 1 1 34 PHE CE1 C -0.731 13.067 0.137 1.00 . A A . 34 PHE CE1 1 1 9 4995 1 1 34 PHE CE2 C 0.727 12.320 -1.599 1.00 . A A . 34 PHE CE2 1 1 9 4996 1 1 34 PHE CG C 1.117 11.636 0.666 1.00 . A A . 34 PHE CG 1 1 9 4997 1 1 34 PHE CZ C -0.373 13.046 -1.194 1.00 . A A . 34 PHE CZ 1 1 9 4998 1 1 34 PHE H H 3.519 10.179 3.590 1.00 . A A . 34 PHE H 1 1 9 4999 1 1 34 PHE HA H 3.882 11.570 1.090 1.00 . A A . 34 PHE HA 1 1 9 5000 1 1 34 PHE HB2 H 2.111 9.894 1.282 1.00 . A A . 34 PHE HB2 1 1 9 5001 1 1 34 PHE HB3 H 1.360 10.806 2.585 1.00 . A A . 34 PHE HB3 1 1 9 5002 1 1 34 PHE HD1 H -0.272 12.384 2.100 1.00 . A A . 34 PHE HD1 1 1 9 5003 1 1 34 PHE HD2 H 2.328 11.052 -0.980 1.00 . A A . 34 PHE HD2 1 1 9 5004 1 1 34 PHE HE1 H -1.593 13.632 0.460 1.00 . A A . 34 PHE HE1 1 1 9 5005 1 1 34 PHE HE2 H 1.009 12.302 -2.641 1.00 . A A . 34 PHE HE2 1 1 9 5006 1 1 34 PHE HZ H -0.957 13.596 -1.917 1.00 . A A . 34 PHE HZ 1 1 9 5007 1 1 34 PHE N N 3.995 10.769 2.968 1.00 . A A . 34 PHE N 1 1 9 5008 1 1 34 PHE O O 2.416 13.153 3.513 1.00 . A A . 34 PHE O 1 1 9 5009 1 1 35 THR C C 2.462 15.944 1.602 1.00 . A A . 35 THR C 1 1 9 5010 1 1 35 THR CA C 3.648 15.257 2.274 1.00 . A A . 35 THR CA 1 1 9 5011 1 1 35 THR CB C 4.950 15.978 1.914 1.00 . A A . 35 THR CB 1 1 9 5012 1 1 35 THR CG2 C 6.095 15.480 2.787 1.00 . A A . 35 THR CG2 1 1 9 5013 1 1 35 THR H H 4.288 13.650 1.102 1.00 . A A . 35 THR H 1 1 9 5014 1 1 35 THR HA H 3.518 15.295 3.345 1.00 . A A . 35 THR HA 1 1 9 5015 1 1 35 THR HB H 4.818 17.037 2.068 1.00 . A A . 35 THR HB 1 1 9 5016 1 1 35 THR HG1 H 5.102 16.548 0.042 1.00 . A A . 35 THR HG1 1 1 9 5017 1 1 35 THR HG21 H 6.211 14.415 2.651 1.00 . A A . 35 THR HG21 1 1 9 5018 1 1 35 THR HG22 H 5.880 15.690 3.825 1.00 . A A . 35 THR HG22 1 1 9 5019 1 1 35 THR HG23 H 7.010 15.978 2.501 1.00 . A A . 35 THR HG23 1 1 9 5020 1 1 35 THR N N 3.731 13.872 1.878 1.00 . A A . 35 THR N 1 1 9 5021 1 1 35 THR O O 1.886 15.399 0.637 1.00 . A A . 35 THR O 1 1 9 5022 1 1 35 THR OG1 O 5.263 15.729 0.531 1.00 . A A . 35 THR OG1 1 1 10 5023 1 1 1 ASP C C 6.687 -10.126 1.470 1.00 . A A . 1 ASP C 1 1 10 5024 1 1 1 ASP CA C 7.246 -11.501 1.432 1.00 . A A . 1 ASP CA 1 1 10 5025 1 1 1 ASP CB C 6.798 -12.184 0.148 1.00 . A A . 1 ASP CB 1 1 10 5026 1 1 1 ASP CG C 7.361 -13.555 0.013 1.00 . A A . 1 ASP CG 1 1 10 5027 1 1 1 ASP H1 H 5.748 -12.255 2.644 1.00 . A A . 1 ASP H1 1 1 10 5028 1 1 1 ASP H2 H 7.115 -11.751 3.471 1.00 . A A . 1 ASP H2 1 1 10 5029 1 1 1 ASP H3 H 7.146 -13.213 2.635 1.00 . A A . 1 ASP H3 1 1 10 5030 1 1 1 ASP HA H 8.324 -11.439 1.453 1.00 . A A . 1 ASP HA 1 1 10 5031 1 1 1 ASP HB2 H 5.721 -12.253 0.143 1.00 . A A . 1 ASP HB2 1 1 10 5032 1 1 1 ASP HB3 H 7.119 -11.592 -0.697 1.00 . A A . 1 ASP HB3 1 1 10 5033 1 1 1 ASP N N 6.785 -12.238 2.615 1.00 . A A . 1 ASP N 1 1 10 5034 1 1 1 ASP O O 5.659 -9.900 2.096 1.00 . A A . 1 ASP O 1 1 10 5035 1 1 1 ASP OD1 O 6.783 -14.508 0.576 1.00 . A A . 1 ASP OD1 1 1 10 5036 1 1 1 ASP OD2 O 8.386 -13.718 -0.639 1.00 . A A . 1 ASP OD2 1 1 10 5037 1 1 2 CYS C C 6.853 -7.392 -0.646 1.00 . A A . 2 CYS C 1 1 10 5038 1 1 2 CYS CA C 6.915 -7.866 0.776 1.00 . A A . 2 CYS CA 1 1 10 5039 1 1 2 CYS CB C 7.865 -7.004 1.557 1.00 . A A . 2 CYS CB 1 1 10 5040 1 1 2 CYS H H 8.193 -9.393 0.365 1.00 . A A . 2 CYS H 1 1 10 5041 1 1 2 CYS HA H 5.935 -7.762 1.214 1.00 . A A . 2 CYS HA 1 1 10 5042 1 1 2 CYS HB2 H 7.607 -5.991 1.297 1.00 . A A . 2 CYS HB2 1 1 10 5043 1 1 2 CYS HB3 H 7.727 -7.153 2.614 1.00 . A A . 2 CYS HB3 1 1 10 5044 1 1 2 CYS N N 7.349 -9.210 0.832 1.00 . A A . 2 CYS N 1 1 10 5045 1 1 2 CYS O O 7.305 -8.075 -1.573 1.00 . A A . 2 CYS O 1 1 10 5046 1 1 2 CYS SG S 9.620 -7.214 1.119 1.00 . A A . 2 CYS SG 1 1 10 5047 1 1 3 ARG C C 7.241 -4.588 -2.224 1.00 . A A . 3 ARG C 1 1 10 5048 1 1 3 ARG CA C 6.183 -5.633 -2.099 1.00 . A A . 3 ARG CA 1 1 10 5049 1 1 3 ARG CB C 4.811 -4.991 -2.344 1.00 . A A . 3 ARG CB 1 1 10 5050 1 1 3 ARG CD C 3.251 -6.795 -1.567 1.00 . A A . 3 ARG CD 1 1 10 5051 1 1 3 ARG CG C 3.694 -5.953 -2.728 1.00 . A A . 3 ARG CG 1 1 10 5052 1 1 3 ARG CZ C 1.547 -8.538 -1.075 1.00 . A A . 3 ARG CZ 1 1 10 5053 1 1 3 ARG H H 5.880 -5.818 -0.028 1.00 . A A . 3 ARG H 1 1 10 5054 1 1 3 ARG HA H 6.348 -6.390 -2.850 1.00 . A A . 3 ARG HA 1 1 10 5055 1 1 3 ARG HB2 H 4.522 -4.506 -1.420 1.00 . A A . 3 ARG HB2 1 1 10 5056 1 1 3 ARG HB3 H 4.913 -4.232 -3.103 1.00 . A A . 3 ARG HB3 1 1 10 5057 1 1 3 ARG HD2 H 4.119 -7.287 -1.157 1.00 . A A . 3 ARG HD2 1 1 10 5058 1 1 3 ARG HD3 H 2.830 -6.115 -0.841 1.00 . A A . 3 ARG HD3 1 1 10 5059 1 1 3 ARG HE H 2.103 -7.895 -2.911 1.00 . A A . 3 ARG HE 1 1 10 5060 1 1 3 ARG HG2 H 2.847 -5.384 -3.084 1.00 . A A . 3 ARG HG2 1 1 10 5061 1 1 3 ARG HG3 H 4.048 -6.599 -3.518 1.00 . A A . 3 ARG HG3 1 1 10 5062 1 1 3 ARG HH11 H 2.355 -7.718 0.635 1.00 . A A . 3 ARG HH11 1 1 10 5063 1 1 3 ARG HH12 H 1.218 -8.945 0.893 1.00 . A A . 3 ARG HH12 1 1 10 5064 1 1 3 ARG HH21 H 0.515 -9.601 -2.496 1.00 . A A . 3 ARG HH21 1 1 10 5065 1 1 3 ARG HH22 H 0.151 -10.023 -0.891 1.00 . A A . 3 ARG HH22 1 1 10 5066 1 1 3 ARG N N 6.270 -6.260 -0.818 1.00 . A A . 3 ARG N 1 1 10 5067 1 1 3 ARG NE N 2.241 -7.789 -1.943 1.00 . A A . 3 ARG NE 1 1 10 5068 1 1 3 ARG NH1 N 1.720 -8.381 0.231 1.00 . A A . 3 ARG NH1 1 1 10 5069 1 1 3 ARG NH2 N 0.681 -9.443 -1.518 1.00 . A A . 3 ARG NH2 1 1 10 5070 1 1 3 ARG O O 7.511 -3.843 -1.265 1.00 . A A . 3 ARG O 1 1 10 5071 1 1 4 TYR C C 8.107 -2.349 -4.257 1.00 . A A . 4 TYR C 1 1 10 5072 1 1 4 TYR CA C 8.812 -3.566 -3.668 1.00 . A A . 4 TYR CA 1 1 10 5073 1 1 4 TYR CB C 9.856 -4.122 -4.600 1.00 . A A . 4 TYR CB 1 1 10 5074 1 1 4 TYR CD1 C 11.784 -4.723 -3.082 1.00 . A A . 4 TYR CD1 1 1 10 5075 1 1 4 TYR CD2 C 10.658 -6.486 -4.223 1.00 . A A . 4 TYR CD2 1 1 10 5076 1 1 4 TYR CE1 C 12.640 -5.629 -2.508 1.00 . A A . 4 TYR CE1 1 1 10 5077 1 1 4 TYR CE2 C 11.511 -7.403 -3.644 1.00 . A A . 4 TYR CE2 1 1 10 5078 1 1 4 TYR CG C 10.775 -5.134 -3.953 1.00 . A A . 4 TYR CG 1 1 10 5079 1 1 4 TYR CZ C 12.501 -6.970 -2.791 1.00 . A A . 4 TYR CZ 1 1 10 5080 1 1 4 TYR H H 7.718 -5.215 -4.069 1.00 . A A . 4 TYR H 1 1 10 5081 1 1 4 TYR HA H 9.286 -3.282 -2.741 1.00 . A A . 4 TYR HA 1 1 10 5082 1 1 4 TYR HB2 H 9.366 -4.573 -5.447 1.00 . A A . 4 TYR HB2 1 1 10 5083 1 1 4 TYR HB3 H 10.448 -3.304 -4.957 1.00 . A A . 4 TYR HB3 1 1 10 5084 1 1 4 TYR HD1 H 11.897 -3.677 -2.839 1.00 . A A . 4 TYR HD1 1 1 10 5085 1 1 4 TYR HD2 H 9.880 -6.822 -4.894 1.00 . A A . 4 TYR HD2 1 1 10 5086 1 1 4 TYR HE1 H 13.410 -5.278 -1.837 1.00 . A A . 4 TYR HE1 1 1 10 5087 1 1 4 TYR HE2 H 11.404 -8.455 -3.864 1.00 . A A . 4 TYR HE2 1 1 10 5088 1 1 4 TYR HH H 13.586 -8.526 -2.907 1.00 . A A . 4 TYR HH 1 1 10 5089 1 1 4 TYR N N 7.868 -4.553 -3.364 1.00 . A A . 4 TYR N 1 1 10 5090 1 1 4 TYR O O 6.873 -2.248 -4.178 1.00 . A A . 4 TYR O 1 1 10 5091 1 1 4 TYR OH O 13.363 -7.881 -2.224 1.00 . A A . 4 TYR OH 1 1 10 5092 1 1 5 MET C C 7.262 -0.478 -6.411 1.00 . A A . 5 MET C 1 1 10 5093 1 1 5 MET CA C 8.305 -0.187 -5.341 1.00 . A A . 5 MET CA 1 1 10 5094 1 1 5 MET CB C 9.403 0.715 -5.911 1.00 . A A . 5 MET CB 1 1 10 5095 1 1 5 MET CE C 9.671 4.817 -6.394 1.00 . A A . 5 MET CE 1 1 10 5096 1 1 5 MET CG C 9.017 2.174 -5.994 1.00 . A A . 5 MET CG 1 1 10 5097 1 1 5 MET H H 9.817 -1.628 -4.967 1.00 . A A . 5 MET H 1 1 10 5098 1 1 5 MET HA H 7.796 0.325 -4.535 1.00 . A A . 5 MET HA 1 1 10 5099 1 1 5 MET HB2 H 10.301 0.646 -5.319 1.00 . A A . 5 MET HB2 1 1 10 5100 1 1 5 MET HB3 H 9.627 0.381 -6.913 1.00 . A A . 5 MET HB3 1 1 10 5101 1 1 5 MET HE1 H 9.666 4.922 -5.318 1.00 . A A . 5 MET HE1 1 1 10 5102 1 1 5 MET HE2 H 8.670 4.935 -6.781 1.00 . A A . 5 MET HE2 1 1 10 5103 1 1 5 MET HE3 H 10.328 5.560 -6.821 1.00 . A A . 5 MET HE3 1 1 10 5104 1 1 5 MET HG2 H 8.109 2.261 -6.572 1.00 . A A . 5 MET HG2 1 1 10 5105 1 1 5 MET HG3 H 8.844 2.543 -4.994 1.00 . A A . 5 MET HG3 1 1 10 5106 1 1 5 MET N N 8.861 -1.439 -4.838 1.00 . A A . 5 MET N 1 1 10 5107 1 1 5 MET O O 7.471 -1.324 -7.272 1.00 . A A . 5 MET O 1 1 10 5108 1 1 5 MET SD S 10.290 3.181 -6.769 1.00 . A A . 5 MET SD 1 1 10 5109 1 1 6 PHE C C 4.206 -1.257 -6.932 1.00 . A A . 6 PHE C 1 1 10 5110 1 1 6 PHE CA C 4.972 0.040 -7.197 1.00 . A A . 6 PHE CA 1 1 10 5111 1 1 6 PHE CB C 5.342 0.196 -8.691 1.00 . A A . 6 PHE CB 1 1 10 5112 1 1 6 PHE CD1 C 7.323 1.671 -9.070 1.00 . A A . 6 PHE CD1 1 1 10 5113 1 1 6 PHE CD2 C 5.159 2.643 -9.220 1.00 . A A . 6 PHE CD2 1 1 10 5114 1 1 6 PHE CE1 C 7.897 2.887 -9.333 1.00 . A A . 6 PHE CE1 1 1 10 5115 1 1 6 PHE CE2 C 5.728 3.870 -9.490 1.00 . A A . 6 PHE CE2 1 1 10 5116 1 1 6 PHE CG C 5.952 1.530 -9.010 1.00 . A A . 6 PHE CG 1 1 10 5117 1 1 6 PHE CZ C 7.101 3.993 -9.545 1.00 . A A . 6 PHE CZ 1 1 10 5118 1 1 6 PHE H H 6.058 0.839 -5.558 1.00 . A A . 6 PHE H 1 1 10 5119 1 1 6 PHE HA H 4.304 0.845 -6.925 1.00 . A A . 6 PHE HA 1 1 10 5120 1 1 6 PHE HB2 H 6.053 -0.570 -8.959 1.00 . A A . 6 PHE HB2 1 1 10 5121 1 1 6 PHE HB3 H 4.451 0.079 -9.289 1.00 . A A . 6 PHE HB3 1 1 10 5122 1 1 6 PHE HD1 H 7.950 0.806 -8.907 1.00 . A A . 6 PHE HD1 1 1 10 5123 1 1 6 PHE HD2 H 4.085 2.544 -9.175 1.00 . A A . 6 PHE HD2 1 1 10 5124 1 1 6 PHE HE1 H 8.975 2.959 -9.361 1.00 . A A . 6 PHE HE1 1 1 10 5125 1 1 6 PHE HE2 H 5.100 4.734 -9.654 1.00 . A A . 6 PHE HE2 1 1 10 5126 1 1 6 PHE HZ H 7.551 4.952 -9.754 1.00 . A A . 6 PHE HZ 1 1 10 5127 1 1 6 PHE N N 6.124 0.193 -6.298 1.00 . A A . 6 PHE N 1 1 10 5128 1 1 6 PHE O O 3.267 -1.595 -7.655 1.00 . A A . 6 PHE O 1 1 10 5129 1 1 7 GLY C C 2.667 -2.711 -4.672 1.00 . A A . 7 GLY C 1 1 10 5130 1 1 7 GLY CA C 3.863 -3.142 -5.478 1.00 . A A . 7 GLY CA 1 1 10 5131 1 1 7 GLY H H 5.407 -1.726 -5.387 1.00 . A A . 7 GLY H 1 1 10 5132 1 1 7 GLY HA2 H 3.530 -3.683 -6.351 1.00 . A A . 7 GLY HA2 1 1 10 5133 1 1 7 GLY HA3 H 4.475 -3.794 -4.874 1.00 . A A . 7 GLY HA3 1 1 10 5134 1 1 7 GLY N N 4.602 -1.975 -5.892 1.00 . A A . 7 GLY N 1 1 10 5135 1 1 7 GLY O O 2.651 -1.596 -4.164 1.00 . A A . 7 GLY O 1 1 10 5136 1 1 8 ASP C C 0.576 -3.166 -2.394 1.00 . A A . 8 ASP C 1 1 10 5137 1 1 8 ASP CA C 0.436 -3.238 -3.878 1.00 . A A . 8 ASP CA 1 1 10 5138 1 1 8 ASP CB C -0.607 -4.261 -4.228 1.00 . A A . 8 ASP CB 1 1 10 5139 1 1 8 ASP CG C -1.925 -4.055 -3.532 1.00 . A A . 8 ASP CG 1 1 10 5140 1 1 8 ASP H H 1.819 -4.480 -4.893 1.00 . A A . 8 ASP H 1 1 10 5141 1 1 8 ASP HA H 0.104 -2.281 -4.251 1.00 . A A . 8 ASP HA 1 1 10 5142 1 1 8 ASP HB2 H -0.766 -4.122 -5.278 1.00 . A A . 8 ASP HB2 1 1 10 5143 1 1 8 ASP HB3 H -0.227 -5.247 -4.014 1.00 . A A . 8 ASP HB3 1 1 10 5144 1 1 8 ASP N N 1.698 -3.571 -4.545 1.00 . A A . 8 ASP N 1 1 10 5145 1 1 8 ASP O O 1.268 -3.992 -1.781 1.00 . A A . 8 ASP O 1 1 10 5146 1 1 8 ASP OD1 O -2.222 -4.776 -2.552 1.00 . A A . 8 ASP OD1 1 1 10 5147 1 1 8 ASP OD2 O -2.690 -3.170 -3.954 1.00 . A A . 8 ASP OD2 1 1 10 5148 1 1 9 CYS C C -1.276 -1.489 0.197 1.00 . A A . 9 CYS C 1 1 10 5149 1 1 9 CYS CA C -0.008 -2.079 -0.389 1.00 . A A . 9 CYS CA 1 1 10 5150 1 1 9 CYS CB C 1.175 -1.199 -0.059 1.00 . A A . 9 CYS CB 1 1 10 5151 1 1 9 CYS H H -0.648 -1.613 -2.332 1.00 . A A . 9 CYS H 1 1 10 5152 1 1 9 CYS HA H 0.171 -3.051 0.042 1.00 . A A . 9 CYS HA 1 1 10 5153 1 1 9 CYS HB2 H 1.435 -1.269 0.985 1.00 . A A . 9 CYS HB2 1 1 10 5154 1 1 9 CYS HB3 H 1.962 -1.606 -0.681 1.00 . A A . 9 CYS HB3 1 1 10 5155 1 1 9 CYS N N -0.095 -2.228 -1.802 1.00 . A A . 9 CYS N 1 1 10 5156 1 1 9 CYS O O -2.074 -0.843 -0.507 1.00 . A A . 9 CYS O 1 1 10 5157 1 1 9 CYS SG S 0.967 0.555 -0.530 1.00 . A A . 9 CYS SG 1 1 10 5158 1 1 10 GLU C C -1.886 -0.495 3.418 1.00 . A A . 10 GLU C 1 1 10 5159 1 1 10 GLU CA C -2.528 -1.221 2.259 1.00 . A A . 10 GLU CA 1 1 10 5160 1 1 10 GLU CB C -3.429 -2.332 2.780 1.00 . A A . 10 GLU CB 1 1 10 5161 1 1 10 GLU CD C -5.560 -1.758 1.653 1.00 . A A . 10 GLU CD 1 1 10 5162 1 1 10 GLU CG C -4.474 -2.785 1.795 1.00 . A A . 10 GLU CG 1 1 10 5163 1 1 10 GLU H H -0.895 -2.449 1.879 1.00 . A A . 10 GLU H 1 1 10 5164 1 1 10 GLU HA H -3.108 -0.533 1.663 1.00 . A A . 10 GLU HA 1 1 10 5165 1 1 10 GLU HB2 H -2.815 -3.183 3.037 1.00 . A A . 10 GLU HB2 1 1 10 5166 1 1 10 GLU HB3 H -3.930 -1.983 3.670 1.00 . A A . 10 GLU HB3 1 1 10 5167 1 1 10 GLU HG2 H -4.002 -2.929 0.834 1.00 . A A . 10 GLU HG2 1 1 10 5168 1 1 10 GLU HG3 H -4.909 -3.715 2.128 1.00 . A A . 10 GLU HG3 1 1 10 5169 1 1 10 GLU N N -1.483 -1.783 1.448 1.00 . A A . 10 GLU N 1 1 10 5170 1 1 10 GLU O O -2.327 0.579 3.830 1.00 . A A . 10 GLU O 1 1 10 5171 1 1 10 GLU OE1 O -6.457 -1.703 2.528 1.00 . A A . 10 GLU OE1 1 1 10 5172 1 1 10 GLU OE2 O -5.553 -0.980 0.690 1.00 . A A . 10 GLU OE2 1 1 10 5173 1 1 11 LYS C C 1.378 -0.701 4.639 1.00 . A A . 11 LYS C 1 1 10 5174 1 1 11 LYS CA C -0.079 -0.602 5.020 1.00 . A A . 11 LYS CA 1 1 10 5175 1 1 11 LYS CB C -0.383 -1.439 6.272 1.00 . A A . 11 LYS CB 1 1 10 5176 1 1 11 LYS CD C -0.815 -3.749 7.190 1.00 . A A . 11 LYS CD 1 1 10 5177 1 1 11 LYS CE C -0.747 -5.246 6.891 1.00 . A A . 11 LYS CE 1 1 10 5178 1 1 11 LYS CG C -0.244 -2.938 6.051 1.00 . A A . 11 LYS CG 1 1 10 5179 1 1 11 LYS H H -0.532 -1.954 3.550 1.00 . A A . 11 LYS H 1 1 10 5180 1 1 11 LYS HA H -0.343 0.428 5.201 1.00 . A A . 11 LYS HA 1 1 10 5181 1 1 11 LYS HB2 H 0.314 -1.152 7.045 1.00 . A A . 11 LYS HB2 1 1 10 5182 1 1 11 LYS HB3 H -1.382 -1.220 6.609 1.00 . A A . 11 LYS HB3 1 1 10 5183 1 1 11 LYS HD2 H -0.249 -3.544 8.087 1.00 . A A . 11 LYS HD2 1 1 10 5184 1 1 11 LYS HD3 H -1.847 -3.470 7.340 1.00 . A A . 11 LYS HD3 1 1 10 5185 1 1 11 LYS HE2 H 0.288 -5.544 6.833 1.00 . A A . 11 LYS HE2 1 1 10 5186 1 1 11 LYS HE3 H -1.227 -5.782 7.695 1.00 . A A . 11 LYS HE3 1 1 10 5187 1 1 11 LYS HG2 H -0.767 -3.205 5.145 1.00 . A A . 11 LYS HG2 1 1 10 5188 1 1 11 LYS HG3 H 0.804 -3.174 5.938 1.00 . A A . 11 LYS HG3 1 1 10 5189 1 1 11 LYS HZ1 H -0.879 -5.281 4.770 1.00 . A A . 11 LYS HZ1 1 1 10 5190 1 1 11 LYS HZ2 H -2.359 -5.168 5.557 1.00 . A A . 11 LYS HZ2 1 1 10 5191 1 1 11 LYS HZ3 H -1.548 -6.627 5.540 1.00 . A A . 11 LYS HZ3 1 1 10 5192 1 1 11 LYS N N -0.846 -1.097 3.928 1.00 . A A . 11 LYS N 1 1 10 5193 1 1 11 LYS NZ N -1.416 -5.599 5.610 1.00 . A A . 11 LYS NZ 1 1 10 5194 1 1 11 LYS O O 1.712 -1.275 3.602 1.00 . A A . 11 LYS O 1 1 10 5195 1 1 12 ASP C C 4.260 -1.566 5.288 1.00 . A A . 12 ASP C 1 1 10 5196 1 1 12 ASP CA C 3.684 -0.193 5.154 1.00 . A A . 12 ASP CA 1 1 10 5197 1 1 12 ASP CB C 4.471 0.765 6.045 1.00 . A A . 12 ASP CB 1 1 10 5198 1 1 12 ASP CG C 3.979 2.163 5.956 1.00 . A A . 12 ASP CG 1 1 10 5199 1 1 12 ASP H H 1.916 0.143 6.336 1.00 . A A . 12 ASP H 1 1 10 5200 1 1 12 ASP HA H 3.784 0.122 4.125 1.00 . A A . 12 ASP HA 1 1 10 5201 1 1 12 ASP HB2 H 4.387 0.442 7.071 1.00 . A A . 12 ASP HB2 1 1 10 5202 1 1 12 ASP HB3 H 5.510 0.744 5.753 1.00 . A A . 12 ASP HB3 1 1 10 5203 1 1 12 ASP N N 2.245 -0.208 5.478 1.00 . A A . 12 ASP N 1 1 10 5204 1 1 12 ASP O O 5.316 -1.865 4.744 1.00 . A A . 12 ASP O 1 1 10 5205 1 1 12 ASP OD1 O 4.125 2.792 4.899 1.00 . A A . 12 ASP OD1 1 1 10 5206 1 1 12 ASP OD2 O 3.406 2.666 6.948 1.00 . A A . 12 ASP OD2 1 1 10 5207 1 1 13 GLU C C 3.927 -4.590 5.003 1.00 . A A . 13 GLU C 1 1 10 5208 1 1 13 GLU CA C 3.948 -3.765 6.263 1.00 . A A . 13 GLU CA 1 1 10 5209 1 1 13 GLU CB C 2.987 -4.392 7.234 1.00 . A A . 13 GLU CB 1 1 10 5210 1 1 13 GLU CD C 4.694 -4.839 8.988 1.00 . A A . 13 GLU CD 1 1 10 5211 1 1 13 GLU CG C 3.619 -5.441 8.118 1.00 . A A . 13 GLU CG 1 1 10 5212 1 1 13 GLU H H 2.681 -2.078 6.335 1.00 . A A . 13 GLU H 1 1 10 5213 1 1 13 GLU HA H 4.934 -3.766 6.702 1.00 . A A . 13 GLU HA 1 1 10 5214 1 1 13 GLU HB2 H 2.524 -3.624 7.834 1.00 . A A . 13 GLU HB2 1 1 10 5215 1 1 13 GLU HB3 H 2.237 -4.869 6.618 1.00 . A A . 13 GLU HB3 1 1 10 5216 1 1 13 GLU HG2 H 2.860 -5.878 8.749 1.00 . A A . 13 GLU HG2 1 1 10 5217 1 1 13 GLU HG3 H 4.062 -6.205 7.496 1.00 . A A . 13 GLU HG3 1 1 10 5218 1 1 13 GLU N N 3.533 -2.411 5.983 1.00 . A A . 13 GLU N 1 1 10 5219 1 1 13 GLU O O 4.608 -5.605 4.901 1.00 . A A . 13 GLU O 1 1 10 5220 1 1 13 GLU OE1 O 4.384 -4.403 10.116 1.00 . A A . 13 GLU OE1 1 1 10 5221 1 1 13 GLU OE2 O 5.867 -4.756 8.553 1.00 . A A . 13 GLU OE2 1 1 10 5222 1 1 14 ASP C C 4.206 -4.650 1.956 1.00 . A A . 14 ASP C 1 1 10 5223 1 1 14 ASP CA C 2.992 -4.892 2.818 1.00 . A A . 14 ASP CA 1 1 10 5224 1 1 14 ASP CB C 1.726 -4.497 2.057 1.00 . A A . 14 ASP CB 1 1 10 5225 1 1 14 ASP CG C 0.463 -4.572 2.879 1.00 . A A . 14 ASP CG 1 1 10 5226 1 1 14 ASP H H 2.636 -3.318 4.164 1.00 . A A . 14 ASP H 1 1 10 5227 1 1 14 ASP HA H 2.943 -5.940 3.071 1.00 . A A . 14 ASP HA 1 1 10 5228 1 1 14 ASP HB2 H 1.823 -3.497 1.662 1.00 . A A . 14 ASP HB2 1 1 10 5229 1 1 14 ASP HB3 H 1.630 -5.199 1.246 1.00 . A A . 14 ASP HB3 1 1 10 5230 1 1 14 ASP N N 3.132 -4.157 4.046 1.00 . A A . 14 ASP N 1 1 10 5231 1 1 14 ASP O O 4.579 -5.473 1.132 1.00 . A A . 14 ASP O 1 1 10 5232 1 1 14 ASP OD1 O -0.188 -3.551 3.060 1.00 . A A . 14 ASP OD1 1 1 10 5233 1 1 14 ASP OD2 O 0.112 -5.657 3.383 1.00 . A A . 14 ASP OD2 1 1 10 5234 1 1 15 CYS C C 7.238 -3.610 2.220 1.00 . A A . 15 CYS C 1 1 10 5235 1 1 15 CYS CA C 6.016 -3.140 1.472 1.00 . A A . 15 CYS CA 1 1 10 5236 1 1 15 CYS CB C 6.065 -1.635 1.360 1.00 . A A . 15 CYS CB 1 1 10 5237 1 1 15 CYS H H 4.497 -2.932 2.875 1.00 . A A . 15 CYS H 1 1 10 5238 1 1 15 CYS HA H 5.996 -3.564 0.479 1.00 . A A . 15 CYS HA 1 1 10 5239 1 1 15 CYS HB2 H 6.259 -1.220 2.337 1.00 . A A . 15 CYS HB2 1 1 10 5240 1 1 15 CYS HB3 H 6.882 -1.368 0.706 1.00 . A A . 15 CYS HB3 1 1 10 5241 1 1 15 CYS N N 4.834 -3.531 2.181 1.00 . A A . 15 CYS N 1 1 10 5242 1 1 15 CYS O O 7.169 -3.929 3.412 1.00 . A A . 15 CYS O 1 1 10 5243 1 1 15 CYS SG S 4.552 -0.918 0.677 1.00 . A A . 15 CYS SG 1 1 10 5244 1 1 16 CYS C C 10.136 -2.987 3.055 1.00 . A A . 16 CYS C 1 1 10 5245 1 1 16 CYS CA C 9.603 -4.057 2.086 1.00 . A A . 16 CYS CA 1 1 10 5246 1 1 16 CYS CB C 10.577 -4.339 0.965 1.00 . A A . 16 CYS CB 1 1 10 5247 1 1 16 CYS H H 8.284 -3.557 0.551 1.00 . A A . 16 CYS H 1 1 10 5248 1 1 16 CYS HA H 9.455 -4.971 2.643 1.00 . A A . 16 CYS HA 1 1 10 5249 1 1 16 CYS HB2 H 10.763 -3.433 0.419 1.00 . A A . 16 CYS HB2 1 1 10 5250 1 1 16 CYS HB3 H 11.526 -4.640 1.369 1.00 . A A . 16 CYS HB3 1 1 10 5251 1 1 16 CYS N N 8.329 -3.695 1.521 1.00 . A A . 16 CYS N 1 1 10 5252 1 1 16 CYS O O 9.513 -1.925 3.243 1.00 . A A . 16 CYS O 1 1 10 5253 1 1 16 CYS SG S 10.014 -5.669 -0.146 1.00 . A A . 16 CYS SG 1 1 10 5254 1 1 17 LYS C C 12.049 -1.015 4.313 1.00 . A A . 17 LYS C 1 1 10 5255 1 1 17 LYS CA C 11.889 -2.453 4.704 1.00 . A A . 17 LYS CA 1 1 10 5256 1 1 17 LYS CB C 13.267 -2.990 5.072 1.00 . A A . 17 LYS CB 1 1 10 5257 1 1 17 LYS CD C 14.648 -4.786 6.075 1.00 . A A . 17 LYS CD 1 1 10 5258 1 1 17 LYS CE C 14.655 -6.162 6.723 1.00 . A A . 17 LYS CE 1 1 10 5259 1 1 17 LYS CG C 13.255 -4.368 5.627 1.00 . A A . 17 LYS CG 1 1 10 5260 1 1 17 LYS H H 11.780 -4.044 3.288 1.00 . A A . 17 LYS H 1 1 10 5261 1 1 17 LYS HA H 11.262 -2.525 5.578 1.00 . A A . 17 LYS HA 1 1 10 5262 1 1 17 LYS HB2 H 13.891 -2.987 4.192 1.00 . A A . 17 LYS HB2 1 1 10 5263 1 1 17 LYS HB3 H 13.704 -2.331 5.806 1.00 . A A . 17 LYS HB3 1 1 10 5264 1 1 17 LYS HD2 H 15.303 -4.804 5.217 1.00 . A A . 17 LYS HD2 1 1 10 5265 1 1 17 LYS HD3 H 15.013 -4.061 6.787 1.00 . A A . 17 LYS HD3 1 1 10 5266 1 1 17 LYS HE2 H 14.197 -6.869 6.046 1.00 . A A . 17 LYS HE2 1 1 10 5267 1 1 17 LYS HE3 H 15.679 -6.451 6.899 1.00 . A A . 17 LYS HE3 1 1 10 5268 1 1 17 LYS HG2 H 12.563 -4.323 6.446 1.00 . A A . 17 LYS HG2 1 1 10 5269 1 1 17 LYS HG3 H 12.882 -5.046 4.873 1.00 . A A . 17 LYS HG3 1 1 10 5270 1 1 17 LYS HZ1 H 13.943 -7.152 8.406 1.00 . A A . 17 LYS HZ1 1 1 10 5271 1 1 17 LYS HZ2 H 12.918 -5.926 7.891 1.00 . A A . 17 LYS HZ2 1 1 10 5272 1 1 17 LYS HZ3 H 14.342 -5.550 8.708 1.00 . A A . 17 LYS HZ3 1 1 10 5273 1 1 17 LYS N N 11.291 -3.267 3.633 1.00 . A A . 17 LYS N 1 1 10 5274 1 1 17 LYS NZ N 13.918 -6.191 8.009 1.00 . A A . 17 LYS NZ 1 1 10 5275 1 1 17 LYS O O 11.449 -0.113 4.896 1.00 . A A . 17 LYS O 1 1 10 5276 1 1 18 HIS C C 12.121 1.146 1.966 1.00 . A A . 18 HIS C 1 1 10 5277 1 1 18 HIS CA C 13.216 0.487 2.809 1.00 . A A . 18 HIS CA 1 1 10 5278 1 1 18 HIS CB C 14.509 0.357 1.987 1.00 . A A . 18 HIS CB 1 1 10 5279 1 1 18 HIS CD2 C 16.495 0.373 3.653 1.00 . A A . 18 HIS CD2 1 1 10 5280 1 1 18 HIS CE1 C 17.115 -1.694 3.489 1.00 . A A . 18 HIS CE1 1 1 10 5281 1 1 18 HIS CG C 15.668 -0.214 2.759 1.00 . A A . 18 HIS CG 1 1 10 5282 1 1 18 HIS H H 13.144 -1.662 2.891 1.00 . A A . 18 HIS H 1 1 10 5283 1 1 18 HIS HA H 13.425 1.113 3.662 1.00 . A A . 18 HIS HA 1 1 10 5284 1 1 18 HIS HB2 H 14.325 -0.290 1.142 1.00 . A A . 18 HIS HB2 1 1 10 5285 1 1 18 HIS HB3 H 14.798 1.332 1.625 1.00 . A A . 18 HIS HB3 1 1 10 5286 1 1 18 HIS HD1 H 15.695 -2.215 2.083 1.00 . A A . 18 HIS HD1 1 1 10 5287 1 1 18 HIS HD2 H 16.460 1.405 3.968 1.00 . A A . 18 HIS HD2 1 1 10 5288 1 1 18 HIS HE1 H 17.641 -2.627 3.627 1.00 . A A . 18 HIS HE1 1 1 10 5289 1 1 18 HIS N N 12.819 -0.833 3.305 1.00 . A A . 18 HIS N 1 1 10 5290 1 1 18 HIS ND1 N 16.082 -1.526 2.666 1.00 . A A . 18 HIS ND1 1 1 10 5291 1 1 18 HIS NE2 N 17.410 -0.571 4.113 1.00 . A A . 18 HIS NE2 1 1 10 5292 1 1 18 HIS O O 12.393 2.059 1.191 1.00 . A A . 18 HIS O 1 1 10 5293 1 1 19 LEU C C 8.649 1.616 2.314 1.00 . A A . 19 LEU C 1 1 10 5294 1 1 19 LEU CA C 9.786 1.240 1.390 1.00 . A A . 19 LEU CA 1 1 10 5295 1 1 19 LEU CB C 9.309 0.181 0.400 1.00 . A A . 19 LEU CB 1 1 10 5296 1 1 19 LEU CD1 C 9.846 -1.495 -1.327 1.00 . A A . 19 LEU CD1 1 1 10 5297 1 1 19 LEU CD2 C 10.540 0.793 -1.674 1.00 . A A . 19 LEU CD2 1 1 10 5298 1 1 19 LEU CG C 10.328 -0.274 -0.641 1.00 . A A . 19 LEU CG 1 1 10 5299 1 1 19 LEU H H 10.697 0.055 2.845 1.00 . A A . 19 LEU H 1 1 10 5300 1 1 19 LEU HA H 10.104 2.117 0.844 1.00 . A A . 19 LEU HA 1 1 10 5301 1 1 19 LEU HB2 H 8.988 -0.683 0.963 1.00 . A A . 19 LEU HB2 1 1 10 5302 1 1 19 LEU HB3 H 8.452 0.579 -0.122 1.00 . A A . 19 LEU HB3 1 1 10 5303 1 1 19 LEU HD11 H 10.623 -1.835 -1.995 1.00 . A A . 19 LEU HD11 1 1 10 5304 1 1 19 LEU HD12 H 8.970 -1.236 -1.904 1.00 . A A . 19 LEU HD12 1 1 10 5305 1 1 19 LEU HD13 H 9.600 -2.266 -0.613 1.00 . A A . 19 LEU HD13 1 1 10 5306 1 1 19 LEU HD21 H 9.603 1.034 -2.153 1.00 . A A . 19 LEU HD21 1 1 10 5307 1 1 19 LEU HD22 H 11.238 0.422 -2.411 1.00 . A A . 19 LEU HD22 1 1 10 5308 1 1 19 LEU HD23 H 10.953 1.672 -1.204 1.00 . A A . 19 LEU HD23 1 1 10 5309 1 1 19 LEU HG H 11.277 -0.480 -0.171 1.00 . A A . 19 LEU HG 1 1 10 5310 1 1 19 LEU N N 10.893 0.724 2.151 1.00 . A A . 19 LEU N 1 1 10 5311 1 1 19 LEU O O 8.552 1.113 3.436 1.00 . A A . 19 LEU O 1 1 10 5312 1 1 20 GLY C C 5.470 2.913 1.640 1.00 . A A . 20 GLY C 1 1 10 5313 1 1 20 GLY CA C 6.652 2.910 2.562 1.00 . A A . 20 GLY CA 1 1 10 5314 1 1 20 GLY H H 7.948 2.830 0.928 1.00 . A A . 20 GLY H 1 1 10 5315 1 1 20 GLY HA2 H 6.474 2.237 3.388 1.00 . A A . 20 GLY HA2 1 1 10 5316 1 1 20 GLY HA3 H 6.807 3.912 2.935 1.00 . A A . 20 GLY HA3 1 1 10 5317 1 1 20 GLY N N 7.806 2.480 1.836 1.00 . A A . 20 GLY N 1 1 10 5318 1 1 20 GLY O O 5.634 3.095 0.433 1.00 . A A . 20 GLY O 1 1 10 5319 1 1 21 CYS C C 2.517 3.983 1.069 1.00 . A A . 21 CYS C 1 1 10 5320 1 1 21 CYS CA C 3.123 2.617 1.351 1.00 . A A . 21 CYS CA 1 1 10 5321 1 1 21 CYS CB C 2.099 1.706 2.051 1.00 . A A . 21 CYS CB 1 1 10 5322 1 1 21 CYS H H 4.227 2.693 3.152 1.00 . A A . 21 CYS H 1 1 10 5323 1 1 21 CYS HA H 3.402 2.156 0.416 1.00 . A A . 21 CYS HA 1 1 10 5324 1 1 21 CYS HB2 H 2.522 0.717 2.153 1.00 . A A . 21 CYS HB2 1 1 10 5325 1 1 21 CYS HB3 H 1.901 2.102 3.036 1.00 . A A . 21 CYS HB3 1 1 10 5326 1 1 21 CYS N N 4.310 2.731 2.167 1.00 . A A . 21 CYS N 1 1 10 5327 1 1 21 CYS O O 2.248 4.760 1.991 1.00 . A A . 21 CYS O 1 1 10 5328 1 1 21 CYS SG S 0.493 1.519 1.192 1.00 . A A . 21 CYS SG 1 1 10 5329 1 1 22 LYS C C 0.208 5.236 -0.622 1.00 . A A . 22 LYS C 1 1 10 5330 1 1 22 LYS CA C 1.649 5.504 -0.538 1.00 . A A . 22 LYS CA 1 1 10 5331 1 1 22 LYS CB C 2.126 6.161 -1.816 1.00 . A A . 22 LYS CB 1 1 10 5332 1 1 22 LYS CD C 3.147 8.050 -0.570 1.00 . A A . 22 LYS CD 1 1 10 5333 1 1 22 LYS CE C 4.182 9.172 -0.650 1.00 . A A . 22 LYS CE 1 1 10 5334 1 1 22 LYS CG C 3.356 6.989 -1.644 1.00 . A A . 22 LYS CG 1 1 10 5335 1 1 22 LYS H H 2.686 3.731 -0.909 1.00 . A A . 22 LYS H 1 1 10 5336 1 1 22 LYS HA H 1.796 6.194 0.279 1.00 . A A . 22 LYS HA 1 1 10 5337 1 1 22 LYS HB2 H 2.334 5.390 -2.544 1.00 . A A . 22 LYS HB2 1 1 10 5338 1 1 22 LYS HB3 H 1.336 6.794 -2.194 1.00 . A A . 22 LYS HB3 1 1 10 5339 1 1 22 LYS HD2 H 2.151 8.455 -0.680 1.00 . A A . 22 LYS HD2 1 1 10 5340 1 1 22 LYS HD3 H 3.200 7.581 0.402 1.00 . A A . 22 LYS HD3 1 1 10 5341 1 1 22 LYS HE2 H 4.041 9.686 -1.588 1.00 . A A . 22 LYS HE2 1 1 10 5342 1 1 22 LYS HE3 H 3.996 9.853 0.166 1.00 . A A . 22 LYS HE3 1 1 10 5343 1 1 22 LYS HG2 H 4.092 6.287 -1.300 1.00 . A A . 22 LYS HG2 1 1 10 5344 1 1 22 LYS HG3 H 3.653 7.439 -2.579 1.00 . A A . 22 LYS HG3 1 1 10 5345 1 1 22 LYS HZ1 H 5.790 8.113 0.251 1.00 . A A . 22 LYS HZ1 1 1 10 5346 1 1 22 LYS HZ2 H 6.232 9.508 -0.538 1.00 . A A . 22 LYS HZ2 1 1 10 5347 1 1 22 LYS HZ3 H 5.850 8.163 -1.435 1.00 . A A . 22 LYS HZ3 1 1 10 5348 1 1 22 LYS N N 2.350 4.312 -0.190 1.00 . A A . 22 LYS N 1 1 10 5349 1 1 22 LYS NZ N 5.583 8.697 -0.585 1.00 . A A . 22 LYS NZ 1 1 10 5350 1 1 22 LYS O O -0.271 4.630 -1.587 1.00 . A A . 22 LYS O 1 1 10 5351 1 1 23 ARG C C -2.701 6.296 -0.571 1.00 . A A . 23 ARG C 1 1 10 5352 1 1 23 ARG CA C -1.918 5.581 0.503 1.00 . A A . 23 ARG CA 1 1 10 5353 1 1 23 ARG CB C -2.395 6.079 1.869 1.00 . A A . 23 ARG CB 1 1 10 5354 1 1 23 ARG CD C -0.627 5.045 3.415 1.00 . A A . 23 ARG CD 1 1 10 5355 1 1 23 ARG CG C -2.095 5.192 3.069 1.00 . A A . 23 ARG CG 1 1 10 5356 1 1 23 ARG CZ C 0.694 3.802 5.141 1.00 . A A . 23 ARG CZ 1 1 10 5357 1 1 23 ARG H H -0.016 6.329 0.992 1.00 . A A . 23 ARG H 1 1 10 5358 1 1 23 ARG HA H -2.127 4.526 0.440 1.00 . A A . 23 ARG HA 1 1 10 5359 1 1 23 ARG HB2 H -1.938 7.040 2.054 1.00 . A A . 23 ARG HB2 1 1 10 5360 1 1 23 ARG HB3 H -3.464 6.222 1.812 1.00 . A A . 23 ARG HB3 1 1 10 5361 1 1 23 ARG HD2 H -0.113 4.587 2.582 1.00 . A A . 23 ARG HD2 1 1 10 5362 1 1 23 ARG HD3 H -0.208 6.020 3.612 1.00 . A A . 23 ARG HD3 1 1 10 5363 1 1 23 ARG HE H -1.316 3.950 5.047 1.00 . A A . 23 ARG HE 1 1 10 5364 1 1 23 ARG HG2 H -2.571 5.632 3.930 1.00 . A A . 23 ARG HG2 1 1 10 5365 1 1 23 ARG HG3 H -2.507 4.216 2.865 1.00 . A A . 23 ARG HG3 1 1 10 5366 1 1 23 ARG HH11 H 1.875 4.617 3.694 1.00 . A A . 23 ARG HH11 1 1 10 5367 1 1 23 ARG HH12 H 2.719 3.763 4.906 1.00 . A A . 23 ARG HH12 1 1 10 5368 1 1 23 ARG HH21 H -0.133 2.824 6.736 1.00 . A A . 23 ARG HH21 1 1 10 5369 1 1 23 ARG HH22 H 1.586 2.812 6.667 1.00 . A A . 23 ARG HH22 1 1 10 5370 1 1 23 ARG N N -0.494 5.760 0.346 1.00 . A A . 23 ARG N 1 1 10 5371 1 1 23 ARG NE N -0.467 4.203 4.615 1.00 . A A . 23 ARG NE 1 1 10 5372 1 1 23 ARG NH1 N 1.827 4.089 4.549 1.00 . A A . 23 ARG NH1 1 1 10 5373 1 1 23 ARG NH2 N 0.708 3.090 6.255 1.00 . A A . 23 ARG NH2 1 1 10 5374 1 1 23 ARG O O -3.913 6.139 -0.666 1.00 . A A . 23 ARG O 1 1 10 5375 1 1 24 LYS C C -2.874 6.955 -3.603 1.00 . A A . 24 LYS C 1 1 10 5376 1 1 24 LYS CA C -2.692 7.815 -2.399 1.00 . A A . 24 LYS CA 1 1 10 5377 1 1 24 LYS CB C -1.862 9.049 -2.767 1.00 . A A . 24 LYS CB 1 1 10 5378 1 1 24 LYS CD C -2.722 10.547 -0.922 1.00 . A A . 24 LYS CD 1 1 10 5379 1 1 24 LYS CE C -2.329 11.377 0.293 1.00 . A A . 24 LYS CE 1 1 10 5380 1 1 24 LYS CG C -1.500 9.942 -1.589 1.00 . A A . 24 LYS CG 1 1 10 5381 1 1 24 LYS H H -1.036 6.995 -1.376 1.00 . A A . 24 LYS H 1 1 10 5382 1 1 24 LYS HA H -3.654 8.126 -2.020 1.00 . A A . 24 LYS HA 1 1 10 5383 1 1 24 LYS HB2 H -0.945 8.717 -3.233 1.00 . A A . 24 LYS HB2 1 1 10 5384 1 1 24 LYS HB3 H -2.419 9.637 -3.481 1.00 . A A . 24 LYS HB3 1 1 10 5385 1 1 24 LYS HD2 H -3.235 11.181 -1.629 1.00 . A A . 24 LYS HD2 1 1 10 5386 1 1 24 LYS HD3 H -3.381 9.752 -0.604 1.00 . A A . 24 LYS HD3 1 1 10 5387 1 1 24 LYS HE2 H -3.220 11.791 0.739 1.00 . A A . 24 LYS HE2 1 1 10 5388 1 1 24 LYS HE3 H -1.843 10.727 1.005 1.00 . A A . 24 LYS HE3 1 1 10 5389 1 1 24 LYS HG2 H -0.968 9.349 -0.860 1.00 . A A . 24 LYS HG2 1 1 10 5390 1 1 24 LYS HG3 H -0.859 10.738 -1.939 1.00 . A A . 24 LYS HG3 1 1 10 5391 1 1 24 LYS HZ1 H -0.522 12.144 -0.456 1.00 . A A . 24 LYS HZ1 1 1 10 5392 1 1 24 LYS HZ2 H -1.178 13.041 0.796 1.00 . A A . 24 LYS HZ2 1 1 10 5393 1 1 24 LYS HZ3 H -1.853 13.138 -0.731 1.00 . A A . 24 LYS HZ3 1 1 10 5394 1 1 24 LYS N N -2.019 7.034 -1.400 1.00 . A A . 24 LYS N 1 1 10 5395 1 1 24 LYS NZ N -1.415 12.486 -0.050 1.00 . A A . 24 LYS NZ 1 1 10 5396 1 1 24 LYS O O -3.916 6.956 -4.247 1.00 . A A . 24 LYS O 1 1 10 5397 1 1 25 MET C C -1.887 3.887 -4.718 1.00 . A A . 25 MET C 1 1 10 5398 1 1 25 MET CA C -1.838 5.370 -5.048 1.00 . A A . 25 MET CA 1 1 10 5399 1 1 25 MET CB C -0.614 5.708 -5.846 1.00 . A A . 25 MET CB 1 1 10 5400 1 1 25 MET CE C -1.464 6.005 -8.955 1.00 . A A . 25 MET CE 1 1 10 5401 1 1 25 MET CG C -0.648 7.078 -6.519 1.00 . A A . 25 MET CG 1 1 10 5402 1 1 25 MET H H -1.094 6.131 -3.259 1.00 . A A . 25 MET H 1 1 10 5403 1 1 25 MET HA H -2.702 5.630 -5.639 1.00 . A A . 25 MET HA 1 1 10 5404 1 1 25 MET HB2 H 0.226 5.684 -5.168 1.00 . A A . 25 MET HB2 1 1 10 5405 1 1 25 MET HB3 H -0.470 4.943 -6.587 1.00 . A A . 25 MET HB3 1 1 10 5406 1 1 25 MET HE1 H -2.167 6.000 -9.775 1.00 . A A . 25 MET HE1 1 1 10 5407 1 1 25 MET HE2 H -1.450 5.029 -8.493 1.00 . A A . 25 MET HE2 1 1 10 5408 1 1 25 MET HE3 H -0.479 6.243 -9.327 1.00 . A A . 25 MET HE3 1 1 10 5409 1 1 25 MET HG2 H -0.798 7.831 -5.759 1.00 . A A . 25 MET HG2 1 1 10 5410 1 1 25 MET HG3 H 0.300 7.248 -7.006 1.00 . A A . 25 MET HG3 1 1 10 5411 1 1 25 MET N N -1.859 6.183 -3.875 1.00 . A A . 25 MET N 1 1 10 5412 1 1 25 MET O O -1.916 3.041 -5.610 1.00 . A A . 25 MET O 1 1 10 5413 1 1 25 MET SD S -1.967 7.237 -7.747 1.00 . A A . 25 MET SD 1 1 10 5414 1 1 26 LYS C C -0.741 1.387 -3.418 1.00 . A A . 26 LYS C 1 1 10 5415 1 1 26 LYS CA C -1.868 2.246 -2.890 1.00 . A A . 26 LYS CA 1 1 10 5416 1 1 26 LYS CB C -3.235 1.564 -2.960 1.00 . A A . 26 LYS CB 1 1 10 5417 1 1 26 LYS CD C -3.726 2.008 -0.534 1.00 . A A . 26 LYS CD 1 1 10 5418 1 1 26 LYS CE C -4.739 2.465 0.508 1.00 . A A . 26 LYS CE 1 1 10 5419 1 1 26 LYS CG C -4.254 2.127 -1.968 1.00 . A A . 26 LYS CG 1 1 10 5420 1 1 26 LYS H H -1.828 4.337 -2.793 1.00 . A A . 26 LYS H 1 1 10 5421 1 1 26 LYS HA H -1.614 2.381 -1.850 1.00 . A A . 26 LYS HA 1 1 10 5422 1 1 26 LYS HB2 H -3.627 1.669 -3.961 1.00 . A A . 26 LYS HB2 1 1 10 5423 1 1 26 LYS HB3 H -3.097 0.515 -2.748 1.00 . A A . 26 LYS HB3 1 1 10 5424 1 1 26 LYS HD2 H -3.465 0.978 -0.342 1.00 . A A . 26 LYS HD2 1 1 10 5425 1 1 26 LYS HD3 H -2.837 2.616 -0.446 1.00 . A A . 26 LYS HD3 1 1 10 5426 1 1 26 LYS HE2 H -4.280 2.413 1.485 1.00 . A A . 26 LYS HE2 1 1 10 5427 1 1 26 LYS HE3 H -5.008 3.490 0.297 1.00 . A A . 26 LYS HE3 1 1 10 5428 1 1 26 LYS HG2 H -4.432 3.167 -2.194 1.00 . A A . 26 LYS HG2 1 1 10 5429 1 1 26 LYS HG3 H -5.177 1.572 -2.050 1.00 . A A . 26 LYS HG3 1 1 10 5430 1 1 26 LYS HZ1 H -6.510 1.725 -0.362 1.00 . A A . 26 LYS HZ1 1 1 10 5431 1 1 26 LYS HZ2 H -6.589 1.903 1.301 1.00 . A A . 26 LYS HZ2 1 1 10 5432 1 1 26 LYS HZ3 H -5.729 0.621 0.638 1.00 . A A . 26 LYS HZ3 1 1 10 5433 1 1 26 LYS N N -1.870 3.598 -3.433 1.00 . A A . 26 LYS N 1 1 10 5434 1 1 26 LYS NZ N -5.961 1.635 0.517 1.00 . A A . 26 LYS NZ 1 1 10 5435 1 1 26 LYS O O -0.927 0.202 -3.763 1.00 . A A . 26 LYS O 1 1 10 5436 1 1 27 TYR C C 2.806 1.633 -3.006 1.00 . A A . 27 TYR C 1 1 10 5437 1 1 27 TYR CA C 1.624 1.240 -3.841 1.00 . A A . 27 TYR CA 1 1 10 5438 1 1 27 TYR CB C 1.970 1.312 -5.362 1.00 . A A . 27 TYR CB 1 1 10 5439 1 1 27 TYR CD1 C 1.627 3.308 -6.880 1.00 . A A . 27 TYR CD1 1 1 10 5440 1 1 27 TYR CD2 C 3.574 3.282 -5.524 1.00 . A A . 27 TYR CD2 1 1 10 5441 1 1 27 TYR CE1 C 2.019 4.530 -7.399 1.00 . A A . 27 TYR CE1 1 1 10 5442 1 1 27 TYR CE2 C 3.968 4.490 -6.032 1.00 . A A . 27 TYR CE2 1 1 10 5443 1 1 27 TYR CG C 2.393 2.665 -5.932 1.00 . A A . 27 TYR CG 1 1 10 5444 1 1 27 TYR CZ C 3.189 5.113 -6.969 1.00 . A A . 27 TYR CZ 1 1 10 5445 1 1 27 TYR H H 0.490 2.885 -3.073 1.00 . A A . 27 TYR H 1 1 10 5446 1 1 27 TYR HA H 1.415 0.210 -3.587 1.00 . A A . 27 TYR HA 1 1 10 5447 1 1 27 TYR HB2 H 2.794 0.635 -5.530 1.00 . A A . 27 TYR HB2 1 1 10 5448 1 1 27 TYR HB3 H 1.125 0.941 -5.917 1.00 . A A . 27 TYR HB3 1 1 10 5449 1 1 27 TYR HD1 H 0.707 2.848 -7.209 1.00 . A A . 27 TYR HD1 1 1 10 5450 1 1 27 TYR HD2 H 4.187 2.786 -4.785 1.00 . A A . 27 TYR HD2 1 1 10 5451 1 1 27 TYR HE1 H 1.408 5.022 -8.142 1.00 . A A . 27 TYR HE1 1 1 10 5452 1 1 27 TYR HE2 H 4.889 4.940 -5.691 1.00 . A A . 27 TYR HE2 1 1 10 5453 1 1 27 TYR HH H 4.526 6.309 -7.599 1.00 . A A . 27 TYR HH 1 1 10 5454 1 1 27 TYR N N 0.434 1.969 -3.433 1.00 . A A . 27 TYR N 1 1 10 5455 1 1 27 TYR O O 2.805 2.691 -2.357 1.00 . A A . 27 TYR O 1 1 10 5456 1 1 27 TYR OH O 3.569 6.338 -7.464 1.00 . A A . 27 TYR OH 1 1 10 5457 1 1 28 CYS C C 5.920 2.011 -2.940 1.00 . A A . 28 CYS C 1 1 10 5458 1 1 28 CYS CA C 4.986 1.025 -2.269 1.00 . A A . 28 CYS CA 1 1 10 5459 1 1 28 CYS CB C 5.677 -0.303 -2.036 1.00 . A A . 28 CYS CB 1 1 10 5460 1 1 28 CYS H H 3.727 0.027 -3.624 1.00 . A A . 28 CYS H 1 1 10 5461 1 1 28 CYS HA H 4.686 1.422 -1.310 1.00 . A A . 28 CYS HA 1 1 10 5462 1 1 28 CYS HB2 H 6.003 -0.704 -2.984 1.00 . A A . 28 CYS HB2 1 1 10 5463 1 1 28 CYS HB3 H 6.534 -0.153 -1.396 1.00 . A A . 28 CYS HB3 1 1 10 5464 1 1 28 CYS N N 3.805 0.818 -3.046 1.00 . A A . 28 CYS N 1 1 10 5465 1 1 28 CYS O O 6.259 1.873 -4.125 1.00 . A A . 28 CYS O 1 1 10 5466 1 1 28 CYS SG S 4.601 -1.533 -1.246 1.00 . A A . 28 CYS SG 1 1 10 5467 1 1 29 ALA C C 8.409 3.928 -1.689 1.00 . A A . 29 ALA C 1 1 10 5468 1 1 29 ALA CA C 7.226 4.011 -2.621 1.00 . A A . 29 ALA CA 1 1 10 5469 1 1 29 ALA CB C 6.571 5.375 -2.545 1.00 . A A . 29 ALA CB 1 1 10 5470 1 1 29 ALA H H 5.972 3.051 -1.269 1.00 . A A . 29 ALA H 1 1 10 5471 1 1 29 ALA HA H 7.535 3.804 -3.636 1.00 . A A . 29 ALA HA 1 1 10 5472 1 1 29 ALA HB1 H 5.717 5.404 -3.206 1.00 . A A . 29 ALA HB1 1 1 10 5473 1 1 29 ALA HB2 H 7.282 6.130 -2.843 1.00 . A A . 29 ALA HB2 1 1 10 5474 1 1 29 ALA HB3 H 6.250 5.563 -1.532 1.00 . A A . 29 ALA HB3 1 1 10 5475 1 1 29 ALA N N 6.302 3.002 -2.197 1.00 . A A . 29 ALA N 1 1 10 5476 1 1 29 ALA O O 8.414 3.073 -0.811 1.00 . A A . 29 ALA O 1 1 10 5477 1 1 30 TRP C C 10.344 5.123 0.458 1.00 . A A . 30 TRP C 1 1 10 5478 1 1 30 TRP CA C 10.568 4.716 -0.981 1.00 . A A . 30 TRP CA 1 1 10 5479 1 1 30 TRP CB C 11.788 5.398 -1.595 1.00 . A A . 30 TRP CB 1 1 10 5480 1 1 30 TRP CD1 C 12.176 5.062 -4.094 1.00 . A A . 30 TRP CD1 1 1 10 5481 1 1 30 TRP CD2 C 12.949 3.449 -2.807 1.00 . A A . 30 TRP CD2 1 1 10 5482 1 1 30 TRP CE2 C 13.230 3.109 -4.126 1.00 . A A . 30 TRP CE2 1 1 10 5483 1 1 30 TRP CE3 C 13.324 2.612 -1.806 1.00 . A A . 30 TRP CE3 1 1 10 5484 1 1 30 TRP CG C 12.286 4.687 -2.805 1.00 . A A . 30 TRP CG 1 1 10 5485 1 1 30 TRP CH2 C 14.249 1.111 -3.434 1.00 . A A . 30 TRP CH2 1 1 10 5486 1 1 30 TRP CZ2 C 13.884 1.934 -4.461 1.00 . A A . 30 TRP CZ2 1 1 10 5487 1 1 30 TRP CZ3 C 13.974 1.442 -2.113 1.00 . A A . 30 TRP CZ3 1 1 10 5488 1 1 30 TRP H H 9.314 5.536 -2.471 1.00 . A A . 30 TRP H 1 1 10 5489 1 1 30 TRP HA H 10.767 3.660 -0.943 1.00 . A A . 30 TRP HA 1 1 10 5490 1 1 30 TRP HB2 H 11.545 6.407 -1.874 1.00 . A A . 30 TRP HB2 1 1 10 5491 1 1 30 TRP HB3 H 12.586 5.412 -0.869 1.00 . A A . 30 TRP HB3 1 1 10 5492 1 1 30 TRP HD1 H 11.704 5.976 -4.416 1.00 . A A . 30 TRP HD1 1 1 10 5493 1 1 30 TRP HE1 H 12.802 4.156 -5.886 1.00 . A A . 30 TRP HE1 1 1 10 5494 1 1 30 TRP HE3 H 13.074 2.918 -0.804 1.00 . A A . 30 TRP HE3 1 1 10 5495 1 1 30 TRP HH2 H 14.760 0.182 -3.633 1.00 . A A . 30 TRP HH2 1 1 10 5496 1 1 30 TRP HZ2 H 14.099 1.662 -5.483 1.00 . A A . 30 TRP HZ2 1 1 10 5497 1 1 30 TRP HZ3 H 14.273 0.768 -1.324 1.00 . A A . 30 TRP HZ3 1 1 10 5498 1 1 30 TRP N N 9.377 4.808 -1.816 1.00 . A A . 30 TRP N 1 1 10 5499 1 1 30 TRP NE1 N 12.752 4.114 -4.906 1.00 . A A . 30 TRP NE1 1 1 10 5500 1 1 30 TRP O O 11.198 4.890 1.312 1.00 . A A . 30 TRP O 1 1 10 5501 1 1 31 ASP C C 7.385 6.480 1.994 1.00 . A A . 31 ASP C 1 1 10 5502 1 1 31 ASP CA C 8.814 6.065 2.048 1.00 . A A . 31 ASP CA 1 1 10 5503 1 1 31 ASP CB C 9.678 7.207 2.638 1.00 . A A . 31 ASP CB 1 1 10 5504 1 1 31 ASP CG C 9.437 8.567 2.003 1.00 . A A . 31 ASP CG 1 1 10 5505 1 1 31 ASP H H 8.543 5.858 0.028 1.00 . A A . 31 ASP H 1 1 10 5506 1 1 31 ASP HA H 8.910 5.183 2.660 1.00 . A A . 31 ASP HA 1 1 10 5507 1 1 31 ASP HB2 H 9.484 7.284 3.696 1.00 . A A . 31 ASP HB2 1 1 10 5508 1 1 31 ASP HB3 H 10.711 6.929 2.487 1.00 . A A . 31 ASP HB3 1 1 10 5509 1 1 31 ASP N N 9.201 5.687 0.730 1.00 . A A . 31 ASP N 1 1 10 5510 1 1 31 ASP O O 6.887 6.882 0.943 1.00 . A A . 31 ASP O 1 1 10 5511 1 1 31 ASP OD1 O 8.734 9.413 2.601 1.00 . A A . 31 ASP OD1 1 1 10 5512 1 1 31 ASP OD2 O 9.953 8.826 0.899 1.00 . A A . 31 ASP OD2 1 1 10 5513 1 1 32 PHE C C 5.342 8.292 3.307 1.00 . A A . 32 PHE C 1 1 10 5514 1 1 32 PHE CA C 5.344 6.785 3.132 1.00 . A A . 32 PHE CA 1 1 10 5515 1 1 32 PHE CB C 4.480 6.045 4.197 1.00 . A A . 32 PHE CB 1 1 10 5516 1 1 32 PHE CD1 C 5.858 5.162 6.102 1.00 . A A . 32 PHE CD1 1 1 10 5517 1 1 32 PHE CD2 C 4.481 7.055 6.512 1.00 . A A . 32 PHE CD2 1 1 10 5518 1 1 32 PHE CE1 C 6.283 5.182 7.410 1.00 . A A . 32 PHE CE1 1 1 10 5519 1 1 32 PHE CE2 C 4.906 7.083 7.823 1.00 . A A . 32 PHE CE2 1 1 10 5520 1 1 32 PHE CG C 4.957 6.093 5.634 1.00 . A A . 32 PHE CG 1 1 10 5521 1 1 32 PHE CZ C 5.808 6.144 8.272 1.00 . A A . 32 PHE CZ 1 1 10 5522 1 1 32 PHE H H 7.165 5.847 3.790 1.00 . A A . 32 PHE H 1 1 10 5523 1 1 32 PHE HA H 4.933 6.598 2.149 1.00 . A A . 32 PHE HA 1 1 10 5524 1 1 32 PHE HB2 H 3.486 6.467 4.186 1.00 . A A . 32 PHE HB2 1 1 10 5525 1 1 32 PHE HB3 H 4.405 5.008 3.906 1.00 . A A . 32 PHE HB3 1 1 10 5526 1 1 32 PHE HD1 H 6.231 4.409 5.424 1.00 . A A . 32 PHE HD1 1 1 10 5527 1 1 32 PHE HD2 H 3.774 7.790 6.158 1.00 . A A . 32 PHE HD2 1 1 10 5528 1 1 32 PHE HE1 H 6.988 4.442 7.758 1.00 . A A . 32 PHE HE1 1 1 10 5529 1 1 32 PHE HE2 H 4.534 7.838 8.499 1.00 . A A . 32 PHE HE2 1 1 10 5530 1 1 32 PHE HZ H 6.140 6.162 9.299 1.00 . A A . 32 PHE HZ 1 1 10 5531 1 1 32 PHE N N 6.704 6.314 3.064 1.00 . A A . 32 PHE N 1 1 10 5532 1 1 32 PHE O O 4.822 9.021 2.466 1.00 . A A . 32 PHE O 1 1 10 5533 1 1 33 THR C C 7.230 10.311 5.684 1.00 . A A . 33 THR C 1 1 10 5534 1 1 33 THR CA C 6.104 10.159 4.657 1.00 . A A . 33 THR CA 1 1 10 5535 1 1 33 THR CB C 4.782 10.771 5.234 1.00 . A A . 33 THR CB 1 1 10 5536 1 1 33 THR CG2 C 4.890 12.283 5.376 1.00 . A A . 33 THR CG2 1 1 10 5537 1 1 33 THR H H 6.381 8.119 4.981 1.00 . A A . 33 THR H 1 1 10 5538 1 1 33 THR HA H 6.378 10.670 3.746 1.00 . A A . 33 THR HA 1 1 10 5539 1 1 33 THR HB H 4.628 10.330 6.206 1.00 . A A . 33 THR HB 1 1 10 5540 1 1 33 THR HG1 H 4.054 10.079 3.569 1.00 . A A . 33 THR HG1 1 1 10 5541 1 1 33 THR HG21 H 5.715 12.527 6.028 1.00 . A A . 33 THR HG21 1 1 10 5542 1 1 33 THR HG22 H 3.973 12.667 5.799 1.00 . A A . 33 THR HG22 1 1 10 5543 1 1 33 THR HG23 H 5.047 12.730 4.406 1.00 . A A . 33 THR HG23 1 1 10 5544 1 1 33 THR N N 5.970 8.754 4.359 1.00 . A A . 33 THR N 1 1 10 5545 1 1 33 THR O O 6.998 10.305 6.894 1.00 . A A . 33 THR O 1 1 10 5546 1 1 33 THR OG1 O 3.667 10.472 4.366 1.00 . A A . 33 THR OG1 1 1 10 5547 1 1 34 PHE C C 10.045 11.893 6.080 1.00 . A A . 34 PHE C 1 1 10 5548 1 1 34 PHE CA C 9.598 10.445 6.061 1.00 . A A . 34 PHE CA 1 1 10 5549 1 1 34 PHE CB C 10.741 9.529 5.604 1.00 . A A . 34 PHE CB 1 1 10 5550 1 1 34 PHE CD1 C 11.978 8.824 7.681 1.00 . A A . 34 PHE CD1 1 1 10 5551 1 1 34 PHE CD2 C 13.082 10.283 6.154 1.00 . A A . 34 PHE CD2 1 1 10 5552 1 1 34 PHE CE1 C 13.093 8.829 8.495 1.00 . A A . 34 PHE CE1 1 1 10 5553 1 1 34 PHE CE2 C 14.198 10.295 6.965 1.00 . A A . 34 PHE CE2 1 1 10 5554 1 1 34 PHE CG C 11.958 9.550 6.501 1.00 . A A . 34 PHE CG 1 1 10 5555 1 1 34 PHE CZ C 14.204 9.566 8.138 1.00 . A A . 34 PHE CZ 1 1 10 5556 1 1 34 PHE H H 8.550 10.144 4.237 1.00 . A A . 34 PHE H 1 1 10 5557 1 1 34 PHE HA H 9.309 10.170 7.064 1.00 . A A . 34 PHE HA 1 1 10 5558 1 1 34 PHE HB2 H 10.382 8.513 5.558 1.00 . A A . 34 PHE HB2 1 1 10 5559 1 1 34 PHE HB3 H 11.051 9.832 4.615 1.00 . A A . 34 PHE HB3 1 1 10 5560 1 1 34 PHE HD1 H 11.111 8.248 7.964 1.00 . A A . 34 PHE HD1 1 1 10 5561 1 1 34 PHE HD2 H 13.076 10.853 5.238 1.00 . A A . 34 PHE HD2 1 1 10 5562 1 1 34 PHE HE1 H 13.095 8.257 9.411 1.00 . A A . 34 PHE HE1 1 1 10 5563 1 1 34 PHE HE2 H 15.066 10.873 6.683 1.00 . A A . 34 PHE HE2 1 1 10 5564 1 1 34 PHE HZ H 15.077 9.571 8.773 1.00 . A A . 34 PHE HZ 1 1 10 5565 1 1 34 PHE N N 8.439 10.292 5.205 1.00 . A A . 34 PHE N 1 1 10 5566 1 1 34 PHE O O 10.489 12.433 5.059 1.00 . A A . 34 PHE O 1 1 10 5567 1 1 35 THR C C 11.660 13.981 8.075 1.00 . A A . 35 THR C 1 1 10 5568 1 1 35 THR CA C 10.308 13.893 7.366 1.00 . A A . 35 THR CA 1 1 10 5569 1 1 35 THR CB C 9.249 14.644 8.179 1.00 . A A . 35 THR CB 1 1 10 5570 1 1 35 THR CG2 C 9.501 16.148 8.148 1.00 . A A . 35 THR CG2 1 1 10 5571 1 1 35 THR H H 9.556 12.039 7.990 1.00 . A A . 35 THR H 1 1 10 5572 1 1 35 THR HA H 10.383 14.342 6.389 1.00 . A A . 35 THR HA 1 1 10 5573 1 1 35 THR HB H 9.275 14.296 9.200 1.00 . A A . 35 THR HB 1 1 10 5574 1 1 35 THR HG1 H 8.094 14.172 6.673 1.00 . A A . 35 THR HG1 1 1 10 5575 1 1 35 THR HG21 H 10.479 16.358 8.555 1.00 . A A . 35 THR HG21 1 1 10 5576 1 1 35 THR HG22 H 8.749 16.651 8.738 1.00 . A A . 35 THR HG22 1 1 10 5577 1 1 35 THR HG23 H 9.452 16.502 7.128 1.00 . A A . 35 THR HG23 1 1 10 5578 1 1 35 THR N N 9.917 12.516 7.211 1.00 . A A . 35 THR N 1 1 10 5579 1 1 35 THR O O 12.143 12.976 8.636 1.00 . A A . 35 THR O 1 1 10 5580 1 1 35 THR OG1 O 7.953 14.372 7.610 1.00 . A A . 35 THR OG1 1 1 11 5581 1 1 1 ASP C C 5.945 -9.941 0.668 1.00 . A A . 1 ASP C 1 1 11 5582 1 1 1 ASP CA C 6.092 -11.408 0.745 1.00 . A A . 1 ASP CA 1 1 11 5583 1 1 1 ASP CB C 6.183 -11.946 -0.686 1.00 . A A . 1 ASP CB 1 1 11 5584 1 1 1 ASP CG C 6.481 -13.406 -0.764 1.00 . A A . 1 ASP CG 1 1 11 5585 1 1 1 ASP H1 H 4.049 -11.714 0.957 1.00 . A A . 1 ASP H1 1 1 11 5586 1 1 1 ASP H2 H 4.876 -11.511 2.395 1.00 . A A . 1 ASP H2 1 1 11 5587 1 1 1 ASP H3 H 4.987 -12.981 1.596 1.00 . A A . 1 ASP H3 1 1 11 5588 1 1 1 ASP HA H 6.988 -11.668 1.287 1.00 . A A . 1 ASP HA 1 1 11 5589 1 1 1 ASP HB2 H 5.239 -11.774 -1.181 1.00 . A A . 1 ASP HB2 1 1 11 5590 1 1 1 ASP HB3 H 6.954 -11.402 -1.212 1.00 . A A . 1 ASP HB3 1 1 11 5591 1 1 1 ASP N N 4.928 -11.954 1.454 1.00 . A A . 1 ASP N 1 1 11 5592 1 1 1 ASP O O 4.891 -9.463 0.253 1.00 . A A . 1 ASP O 1 1 11 5593 1 1 1 ASP OD1 O 7.645 -13.776 -1.018 1.00 . A A . 1 ASP OD1 1 1 11 5594 1 1 1 ASP OD2 O 5.555 -14.215 -0.590 1.00 . A A . 1 ASP OD2 1 1 11 5595 1 1 2 CYS C C 6.914 -7.341 -0.464 1.00 . A A . 2 CYS C 1 1 11 5596 1 1 2 CYS CA C 6.857 -7.788 0.964 1.00 . A A . 2 CYS CA 1 1 11 5597 1 1 2 CYS CB C 7.884 -7.054 1.792 1.00 . A A . 2 CYS CB 1 1 11 5598 1 1 2 CYS H H 7.780 -9.578 1.432 1.00 . A A . 2 CYS H 1 1 11 5599 1 1 2 CYS HA H 5.876 -7.532 1.335 1.00 . A A . 2 CYS HA 1 1 11 5600 1 1 2 CYS HB2 H 7.744 -6.020 1.516 1.00 . A A . 2 CYS HB2 1 1 11 5601 1 1 2 CYS HB3 H 7.673 -7.135 2.841 1.00 . A A . 2 CYS HB3 1 1 11 5602 1 1 2 CYS N N 6.956 -9.199 1.061 1.00 . A A . 2 CYS N 1 1 11 5603 1 1 2 CYS O O 7.508 -8.000 -1.337 1.00 . A A . 2 CYS O 1 1 11 5604 1 1 2 CYS SG S 9.629 -7.421 1.436 1.00 . A A . 2 CYS SG 1 1 11 5605 1 1 3 ARG C C 7.239 -4.665 -2.154 1.00 . A A . 3 ARG C 1 1 11 5606 1 1 3 ARG CA C 6.160 -5.696 -1.989 1.00 . A A . 3 ARG CA 1 1 11 5607 1 1 3 ARG CB C 4.786 -5.030 -2.153 1.00 . A A . 3 ARG CB 1 1 11 5608 1 1 3 ARG CD C 3.575 -7.230 -2.486 1.00 . A A . 3 ARG CD 1 1 11 5609 1 1 3 ARG CG C 3.598 -5.903 -1.754 1.00 . A A . 3 ARG CG 1 1 11 5610 1 1 3 ARG CZ C 2.340 -9.381 -2.183 1.00 . A A . 3 ARG CZ 1 1 11 5611 1 1 3 ARG H H 5.873 -5.830 0.093 1.00 . A A . 3 ARG H 1 1 11 5612 1 1 3 ARG HA H 6.268 -6.470 -2.731 1.00 . A A . 3 ARG HA 1 1 11 5613 1 1 3 ARG HB2 H 4.763 -4.148 -1.529 1.00 . A A . 3 ARG HB2 1 1 11 5614 1 1 3 ARG HB3 H 4.663 -4.736 -3.184 1.00 . A A . 3 ARG HB3 1 1 11 5615 1 1 3 ARG HD2 H 3.508 -7.039 -3.547 1.00 . A A . 3 ARG HD2 1 1 11 5616 1 1 3 ARG HD3 H 4.486 -7.768 -2.269 1.00 . A A . 3 ARG HD3 1 1 11 5617 1 1 3 ARG HE H 1.669 -7.536 -1.707 1.00 . A A . 3 ARG HE 1 1 11 5618 1 1 3 ARG HG2 H 3.653 -6.099 -0.693 1.00 . A A . 3 ARG HG2 1 1 11 5619 1 1 3 ARG HG3 H 2.686 -5.365 -1.968 1.00 . A A . 3 ARG HG3 1 1 11 5620 1 1 3 ARG HH11 H 4.201 -9.653 -3.004 1.00 . A A . 3 ARG HH11 1 1 11 5621 1 1 3 ARG HH12 H 3.296 -11.080 -2.788 1.00 . A A . 3 ARG HH12 1 1 11 5622 1 1 3 ARG HH21 H 0.435 -9.528 -1.423 1.00 . A A . 3 ARG HH21 1 1 11 5623 1 1 3 ARG HH22 H 1.147 -11.007 -1.861 1.00 . A A . 3 ARG HH22 1 1 11 5624 1 1 3 ARG N N 6.279 -6.265 -0.693 1.00 . A A . 3 ARG N 1 1 11 5625 1 1 3 ARG NE N 2.426 -8.050 -2.075 1.00 . A A . 3 ARG NE 1 1 11 5626 1 1 3 ARG NH1 N 3.351 -10.083 -2.689 1.00 . A A . 3 ARG NH1 1 1 11 5627 1 1 3 ARG NH2 N 1.234 -10.010 -1.797 1.00 . A A . 3 ARG NH2 1 1 11 5628 1 1 3 ARG O O 7.612 -3.976 -1.186 1.00 . A A . 3 ARG O 1 1 11 5629 1 1 4 TYR C C 8.038 -2.395 -4.217 1.00 . A A . 4 TYR C 1 1 11 5630 1 1 4 TYR CA C 8.728 -3.621 -3.644 1.00 . A A . 4 TYR CA 1 1 11 5631 1 1 4 TYR CB C 9.729 -4.210 -4.604 1.00 . A A . 4 TYR CB 1 1 11 5632 1 1 4 TYR CD1 C 11.526 -4.980 -3.000 1.00 . A A . 4 TYR CD1 1 1 11 5633 1 1 4 TYR CD2 C 10.513 -6.609 -4.412 1.00 . A A . 4 TYR CD2 1 1 11 5634 1 1 4 TYR CE1 C 12.335 -5.947 -2.451 1.00 . A A . 4 TYR CE1 1 1 11 5635 1 1 4 TYR CE2 C 11.320 -7.586 -3.861 1.00 . A A . 4 TYR CE2 1 1 11 5636 1 1 4 TYR CG C 10.598 -5.291 -3.992 1.00 . A A . 4 TYR CG 1 1 11 5637 1 1 4 TYR CZ C 12.231 -7.247 -2.881 1.00 . A A . 4 TYR CZ 1 1 11 5638 1 1 4 TYR H H 7.519 -5.170 -4.068 1.00 . A A . 4 TYR H 1 1 11 5639 1 1 4 TYR HA H 9.236 -3.350 -2.731 1.00 . A A . 4 TYR HA 1 1 11 5640 1 1 4 TYR HB2 H 9.199 -4.618 -5.451 1.00 . A A . 4 TYR HB2 1 1 11 5641 1 1 4 TYR HB3 H 10.357 -3.413 -4.948 1.00 . A A . 4 TYR HB3 1 1 11 5642 1 1 4 TYR HD1 H 11.616 -3.966 -2.639 1.00 . A A . 4 TYR HD1 1 1 11 5643 1 1 4 TYR HD2 H 9.799 -6.871 -5.179 1.00 . A A . 4 TYR HD2 1 1 11 5644 1 1 4 TYR HE1 H 13.042 -5.669 -1.684 1.00 . A A . 4 TYR HE1 1 1 11 5645 1 1 4 TYR HE2 H 11.237 -8.607 -4.198 1.00 . A A . 4 TYR HE2 1 1 11 5646 1 1 4 TYR HH H 13.272 -8.804 -3.068 1.00 . A A . 4 TYR HH 1 1 11 5647 1 1 4 TYR N N 7.766 -4.580 -3.329 1.00 . A A . 4 TYR N 1 1 11 5648 1 1 4 TYR O O 6.812 -2.259 -4.098 1.00 . A A . 4 TYR O 1 1 11 5649 1 1 4 TYR OH O 13.044 -8.221 -2.331 1.00 . A A . 4 TYR OH 1 1 11 5650 1 1 5 MET C C 7.218 -0.558 -6.421 1.00 . A A . 5 MET C 1 1 11 5651 1 1 5 MET CA C 8.235 -0.263 -5.327 1.00 . A A . 5 MET CA 1 1 11 5652 1 1 5 MET CB C 9.335 0.651 -5.863 1.00 . A A . 5 MET CB 1 1 11 5653 1 1 5 MET CE C 9.643 4.753 -6.120 1.00 . A A . 5 MET CE 1 1 11 5654 1 1 5 MET CG C 8.960 2.111 -5.886 1.00 . A A . 5 MET CG 1 1 11 5655 1 1 5 MET H H 9.739 -1.710 -4.998 1.00 . A A . 5 MET H 1 1 11 5656 1 1 5 MET HA H 7.705 0.236 -4.527 1.00 . A A . 5 MET HA 1 1 11 5657 1 1 5 MET HB2 H 10.230 0.550 -5.271 1.00 . A A . 5 MET HB2 1 1 11 5658 1 1 5 MET HB3 H 9.557 0.353 -6.876 1.00 . A A . 5 MET HB3 1 1 11 5659 1 1 5 MET HE1 H 9.670 4.787 -5.039 1.00 . A A . 5 MET HE1 1 1 11 5660 1 1 5 MET HE2 H 8.633 4.903 -6.470 1.00 . A A . 5 MET HE2 1 1 11 5661 1 1 5 MET HE3 H 10.297 5.515 -6.515 1.00 . A A . 5 MET HE3 1 1 11 5662 1 1 5 MET HG2 H 8.051 2.229 -6.458 1.00 . A A . 5 MET HG2 1 1 11 5663 1 1 5 MET HG3 H 8.791 2.433 -4.870 1.00 . A A . 5 MET HG3 1 1 11 5664 1 1 5 MET N N 8.791 -1.512 -4.832 1.00 . A A . 5 MET N 1 1 11 5665 1 1 5 MET O O 7.421 -1.461 -7.240 1.00 . A A . 5 MET O 1 1 11 5666 1 1 5 MET SD S 10.235 3.143 -6.611 1.00 . A A . 5 MET SD 1 1 11 5667 1 1 6 PHE C C 4.165 -1.224 -7.053 1.00 . A A . 6 PHE C 1 1 11 5668 1 1 6 PHE CA C 4.981 0.038 -7.316 1.00 . A A . 6 PHE CA 1 1 11 5669 1 1 6 PHE CB C 5.423 0.151 -8.789 1.00 . A A . 6 PHE CB 1 1 11 5670 1 1 6 PHE CD1 C 7.413 1.630 -9.082 1.00 . A A . 6 PHE CD1 1 1 11 5671 1 1 6 PHE CD2 C 5.261 2.568 -9.435 1.00 . A A . 6 PHE CD2 1 1 11 5672 1 1 6 PHE CE1 C 7.994 2.839 -9.355 1.00 . A A . 6 PHE CE1 1 1 11 5673 1 1 6 PHE CE2 C 5.835 3.787 -9.715 1.00 . A A . 6 PHE CE2 1 1 11 5674 1 1 6 PHE CG C 6.045 1.475 -9.118 1.00 . A A . 6 PHE CG 1 1 11 5675 1 1 6 PHE CZ C 7.205 3.924 -9.672 1.00 . A A . 6 PHE CZ 1 1 11 5676 1 1 6 PHE H H 6.030 0.834 -5.651 1.00 . A A . 6 PHE H 1 1 11 5677 1 1 6 PHE HA H 4.328 0.869 -7.088 1.00 . A A . 6 PHE HA 1 1 11 5678 1 1 6 PHE HB2 H 6.152 -0.619 -8.995 1.00 . A A . 6 PHE HB2 1 1 11 5679 1 1 6 PHE HB3 H 4.567 0.009 -9.433 1.00 . A A . 6 PHE HB3 1 1 11 5680 1 1 6 PHE HD1 H 8.033 0.781 -8.836 1.00 . A A . 6 PHE HD1 1 1 11 5681 1 1 6 PHE HD2 H 4.187 2.463 -9.468 1.00 . A A . 6 PHE HD2 1 1 11 5682 1 1 6 PHE HE1 H 9.070 2.924 -9.309 1.00 . A A . 6 PHE HE1 1 1 11 5683 1 1 6 PHE HE2 H 5.214 4.635 -9.962 1.00 . A A . 6 PHE HE2 1 1 11 5684 1 1 6 PHE HZ H 7.657 4.880 -9.887 1.00 . A A . 6 PHE HZ 1 1 11 5685 1 1 6 PHE N N 6.105 0.169 -6.374 1.00 . A A . 6 PHE N 1 1 11 5686 1 1 6 PHE O O 3.249 -1.559 -7.806 1.00 . A A . 6 PHE O 1 1 11 5687 1 1 7 GLY C C 2.568 -2.615 -4.711 1.00 . A A . 7 GLY C 1 1 11 5688 1 1 7 GLY CA C 3.731 -3.055 -5.564 1.00 . A A . 7 GLY CA 1 1 11 5689 1 1 7 GLY H H 5.275 -1.648 -5.441 1.00 . A A . 7 GLY H 1 1 11 5690 1 1 7 GLY HA2 H 3.365 -3.568 -6.441 1.00 . A A . 7 GLY HA2 1 1 11 5691 1 1 7 GLY HA3 H 4.358 -3.720 -4.990 1.00 . A A . 7 GLY HA3 1 1 11 5692 1 1 7 GLY N N 4.494 -1.910 -5.975 1.00 . A A . 7 GLY N 1 1 11 5693 1 1 7 GLY O O 2.684 -1.632 -3.985 1.00 . A A . 7 GLY O 1 1 11 5694 1 1 8 ASP C C 0.339 -3.145 -2.614 1.00 . A A . 8 ASP C 1 1 11 5695 1 1 8 ASP CA C 0.215 -2.997 -4.096 1.00 . A A . 8 ASP CA 1 1 11 5696 1 1 8 ASP CB C -0.890 -3.882 -4.602 1.00 . A A . 8 ASP CB 1 1 11 5697 1 1 8 ASP CG C -2.205 -3.778 -3.858 1.00 . A A . 8 ASP CG 1 1 11 5698 1 1 8 ASP H H 1.505 -4.132 -5.362 1.00 . A A . 8 ASP H 1 1 11 5699 1 1 8 ASP HA H -0.042 -1.974 -4.325 1.00 . A A . 8 ASP HA 1 1 11 5700 1 1 8 ASP HB2 H -1.057 -3.550 -5.606 1.00 . A A . 8 ASP HB2 1 1 11 5701 1 1 8 ASP HB3 H -0.542 -4.901 -4.582 1.00 . A A . 8 ASP HB3 1 1 11 5702 1 1 8 ASP N N 1.471 -3.327 -4.805 1.00 . A A . 8 ASP N 1 1 11 5703 1 1 8 ASP O O 0.959 -4.097 -2.121 1.00 . A A . 8 ASP O 1 1 11 5704 1 1 8 ASP OD1 O -2.457 -4.610 -2.972 1.00 . A A . 8 ASP OD1 1 1 11 5705 1 1 8 ASP OD2 O -3.033 -2.916 -4.193 1.00 . A A . 8 ASP OD2 1 1 11 5706 1 1 9 CYS C C -1.299 -1.458 0.151 1.00 . A A . 9 CYS C 1 1 11 5707 1 1 9 CYS CA C -0.152 -2.227 -0.480 1.00 . A A . 9 CYS CA 1 1 11 5708 1 1 9 CYS CB C 1.164 -1.581 -0.100 1.00 . A A . 9 CYS CB 1 1 11 5709 1 1 9 CYS H H -0.776 -1.533 -2.354 1.00 . A A . 9 CYS H 1 1 11 5710 1 1 9 CYS HA H -0.139 -3.249 -0.134 1.00 . A A . 9 CYS HA 1 1 11 5711 1 1 9 CYS HB2 H 1.369 -1.698 0.953 1.00 . A A . 9 CYS HB2 1 1 11 5712 1 1 9 CYS HB3 H 1.890 -2.111 -0.701 1.00 . A A . 9 CYS HB3 1 1 11 5713 1 1 9 CYS N N -0.248 -2.230 -1.907 1.00 . A A . 9 CYS N 1 1 11 5714 1 1 9 CYS O O -1.930 -0.635 -0.511 1.00 . A A . 9 CYS O 1 1 11 5715 1 1 9 CYS SG S 1.291 0.196 -0.546 1.00 . A A . 9 CYS SG 1 1 11 5716 1 1 10 GLU C C -1.688 -0.340 3.342 1.00 . A A . 10 GLU C 1 1 11 5717 1 1 10 GLU CA C -2.486 -0.982 2.236 1.00 . A A . 10 GLU CA 1 1 11 5718 1 1 10 GLU CB C -3.568 -1.835 2.901 1.00 . A A . 10 GLU CB 1 1 11 5719 1 1 10 GLU CD C -4.537 -2.882 0.821 1.00 . A A . 10 GLU CD 1 1 11 5720 1 1 10 GLU CG C -4.799 -2.141 2.078 1.00 . A A . 10 GLU CG 1 1 11 5721 1 1 10 GLU H H -1.158 -2.549 1.825 1.00 . A A . 10 GLU H 1 1 11 5722 1 1 10 GLU HA H -2.947 -0.220 1.626 1.00 . A A . 10 GLU HA 1 1 11 5723 1 1 10 GLU HB2 H -3.128 -2.773 3.199 1.00 . A A . 10 GLU HB2 1 1 11 5724 1 1 10 GLU HB3 H -3.881 -1.314 3.793 1.00 . A A . 10 GLU HB3 1 1 11 5725 1 1 10 GLU HG2 H -5.466 -2.740 2.678 1.00 . A A . 10 GLU HG2 1 1 11 5726 1 1 10 GLU HG3 H -5.278 -1.203 1.836 1.00 . A A . 10 GLU HG3 1 1 11 5727 1 1 10 GLU N N -1.582 -1.760 1.411 1.00 . A A . 10 GLU N 1 1 11 5728 1 1 10 GLU O O -1.945 0.802 3.735 1.00 . A A . 10 GLU O 1 1 11 5729 1 1 10 GLU OE1 O -4.923 -2.374 -0.258 1.00 . A A . 10 GLU OE1 1 1 11 5730 1 1 10 GLU OE2 O -3.979 -4.002 0.883 1.00 . A A . 10 GLU OE2 1 1 11 5731 1 1 11 LYS C C 1.530 -0.758 4.551 1.00 . A A . 11 LYS C 1 1 11 5732 1 1 11 LYS CA C 0.083 -0.666 4.937 1.00 . A A . 11 LYS CA 1 1 11 5733 1 1 11 LYS CB C -0.216 -1.546 6.163 1.00 . A A . 11 LYS CB 1 1 11 5734 1 1 11 LYS CD C -0.435 -3.857 7.154 1.00 . A A . 11 LYS CD 1 1 11 5735 1 1 11 LYS CE C -0.233 -5.364 6.939 1.00 . A A . 11 LYS CE 1 1 11 5736 1 1 11 LYS CG C -0.040 -3.044 5.933 1.00 . A A . 11 LYS CG 1 1 11 5737 1 1 11 LYS H H -0.469 -1.950 3.442 1.00 . A A . 11 LYS H 1 1 11 5738 1 1 11 LYS HA H -0.164 0.357 5.177 1.00 . A A . 11 LYS HA 1 1 11 5739 1 1 11 LYS HB2 H 0.457 -1.260 6.955 1.00 . A A . 11 LYS HB2 1 1 11 5740 1 1 11 LYS HB3 H -1.224 -1.353 6.489 1.00 . A A . 11 LYS HB3 1 1 11 5741 1 1 11 LYS HD2 H 0.174 -3.543 7.989 1.00 . A A . 11 LYS HD2 1 1 11 5742 1 1 11 LYS HD3 H -1.472 -3.667 7.380 1.00 . A A . 11 LYS HD3 1 1 11 5743 1 1 11 LYS HE2 H 0.816 -5.562 6.791 1.00 . A A . 11 LYS HE2 1 1 11 5744 1 1 11 LYS HE3 H -0.560 -5.879 7.830 1.00 . A A . 11 LYS HE3 1 1 11 5745 1 1 11 LYS HG2 H -0.662 -3.342 5.102 1.00 . A A . 11 LYS HG2 1 1 11 5746 1 1 11 LYS HG3 H 0.994 -3.238 5.690 1.00 . A A . 11 LYS HG3 1 1 11 5747 1 1 11 LYS HZ1 H -0.904 -6.942 5.776 1.00 . A A . 11 LYS HZ1 1 1 11 5748 1 1 11 LYS HZ2 H -0.534 -5.610 4.869 1.00 . A A . 11 LYS HZ2 1 1 11 5749 1 1 11 LYS HZ3 H -1.980 -5.632 5.767 1.00 . A A . 11 LYS HZ3 1 1 11 5750 1 1 11 LYS N N -0.715 -1.080 3.840 1.00 . A A . 11 LYS N 1 1 11 5751 1 1 11 LYS NZ N -0.977 -5.905 5.771 1.00 . A A . 11 LYS NZ 1 1 11 5752 1 1 11 LYS O O 1.870 -1.366 3.537 1.00 . A A . 11 LYS O 1 1 11 5753 1 1 12 ASP C C 4.421 -1.531 5.221 1.00 . A A . 12 ASP C 1 1 11 5754 1 1 12 ASP CA C 3.827 -0.176 5.086 1.00 . A A . 12 ASP CA 1 1 11 5755 1 1 12 ASP CB C 4.575 0.795 6.006 1.00 . A A . 12 ASP CB 1 1 11 5756 1 1 12 ASP CG C 4.075 2.191 5.884 1.00 . A A . 12 ASP CG 1 1 11 5757 1 1 12 ASP H H 2.043 0.121 6.237 1.00 . A A . 12 ASP H 1 1 11 5758 1 1 12 ASP HA H 3.941 0.152 4.064 1.00 . A A . 12 ASP HA 1 1 11 5759 1 1 12 ASP HB2 H 4.456 0.478 7.031 1.00 . A A . 12 ASP HB2 1 1 11 5760 1 1 12 ASP HB3 H 5.626 0.781 5.752 1.00 . A A . 12 ASP HB3 1 1 11 5761 1 1 12 ASP N N 2.384 -0.225 5.382 1.00 . A A . 12 ASP N 1 1 11 5762 1 1 12 ASP O O 5.461 -1.828 4.642 1.00 . A A . 12 ASP O 1 1 11 5763 1 1 12 ASP OD1 O 4.247 2.802 4.823 1.00 . A A . 12 ASP OD1 1 1 11 5764 1 1 12 ASP OD2 O 3.442 2.697 6.839 1.00 . A A . 12 ASP OD2 1 1 11 5765 1 1 13 GLU C C 4.083 -4.572 4.991 1.00 . A A . 13 GLU C 1 1 11 5766 1 1 13 GLU CA C 4.158 -3.727 6.206 1.00 . A A . 13 GLU CA 1 1 11 5767 1 1 13 GLU CB C 3.308 -4.368 7.243 1.00 . A A . 13 GLU CB 1 1 11 5768 1 1 13 GLU CD C 2.629 -4.510 9.628 1.00 . A A . 13 GLU CD 1 1 11 5769 1 1 13 GLU CG C 3.409 -3.744 8.608 1.00 . A A . 13 GLU CG 1 1 11 5770 1 1 13 GLU H H 2.830 -2.067 6.238 1.00 . A A . 13 GLU H 1 1 11 5771 1 1 13 GLU HA H 5.174 -3.691 6.569 1.00 . A A . 13 GLU HA 1 1 11 5772 1 1 13 GLU HB2 H 2.300 -4.293 6.864 1.00 . A A . 13 GLU HB2 1 1 11 5773 1 1 13 GLU HB3 H 3.572 -5.413 7.288 1.00 . A A . 13 GLU HB3 1 1 11 5774 1 1 13 GLU HG2 H 4.445 -3.722 8.909 1.00 . A A . 13 GLU HG2 1 1 11 5775 1 1 13 GLU HG3 H 3.026 -2.736 8.561 1.00 . A A . 13 GLU HG3 1 1 11 5776 1 1 13 GLU N N 3.708 -2.379 5.929 1.00 . A A . 13 GLU N 1 1 11 5777 1 1 13 GLU O O 4.802 -5.567 4.877 1.00 . A A . 13 GLU O 1 1 11 5778 1 1 13 GLU OE1 O 2.989 -5.671 9.913 1.00 . A A . 13 GLU OE1 1 1 11 5779 1 1 13 GLU OE2 O 1.661 -3.965 10.188 1.00 . A A . 13 GLU OE2 1 1 11 5780 1 1 14 ASP C C 4.251 -4.748 2.023 1.00 . A A . 14 ASP C 1 1 11 5781 1 1 14 ASP CA C 3.033 -4.943 2.878 1.00 . A A . 14 ASP CA 1 1 11 5782 1 1 14 ASP CB C 1.788 -4.536 2.084 1.00 . A A . 14 ASP CB 1 1 11 5783 1 1 14 ASP CG C 0.480 -4.600 2.842 1.00 . A A . 14 ASP CG 1 1 11 5784 1 1 14 ASP H H 2.682 -3.372 4.219 1.00 . A A . 14 ASP H 1 1 11 5785 1 1 14 ASP HA H 2.959 -5.983 3.157 1.00 . A A . 14 ASP HA 1 1 11 5786 1 1 14 ASP HB2 H 1.906 -3.549 1.669 1.00 . A A . 14 ASP HB2 1 1 11 5787 1 1 14 ASP HB3 H 1.736 -5.261 1.292 1.00 . A A . 14 ASP HB3 1 1 11 5788 1 1 14 ASP N N 3.206 -4.189 4.080 1.00 . A A . 14 ASP N 1 1 11 5789 1 1 14 ASP O O 4.644 -5.630 1.287 1.00 . A A . 14 ASP O 1 1 11 5790 1 1 14 ASP OD1 O 0.139 -5.650 3.398 1.00 . A A . 14 ASP OD1 1 1 11 5791 1 1 14 ASP OD2 O -0.257 -3.600 2.867 1.00 . A A . 14 ASP OD2 1 1 11 5792 1 1 15 CYS C C 7.272 -3.691 2.221 1.00 . A A . 15 CYS C 1 1 11 5793 1 1 15 CYS CA C 6.057 -3.226 1.452 1.00 . A A . 15 CYS CA 1 1 11 5794 1 1 15 CYS CB C 6.124 -1.717 1.331 1.00 . A A . 15 CYS CB 1 1 11 5795 1 1 15 CYS H H 4.520 -2.956 2.829 1.00 . A A . 15 CYS H 1 1 11 5796 1 1 15 CYS HA H 6.038 -3.660 0.464 1.00 . A A . 15 CYS HA 1 1 11 5797 1 1 15 CYS HB2 H 6.343 -1.297 2.300 1.00 . A A . 15 CYS HB2 1 1 11 5798 1 1 15 CYS HB3 H 6.923 -1.460 0.651 1.00 . A A . 15 CYS HB3 1 1 11 5799 1 1 15 CYS N N 4.867 -3.595 2.175 1.00 . A A . 15 CYS N 1 1 11 5800 1 1 15 CYS O O 7.179 -4.020 3.405 1.00 . A A . 15 CYS O 1 1 11 5801 1 1 15 CYS SG S 4.603 -0.972 0.703 1.00 . A A . 15 CYS SG 1 1 11 5802 1 1 16 CYS C C 10.142 -2.968 3.093 1.00 . A A . 16 CYS C 1 1 11 5803 1 1 16 CYS CA C 9.626 -4.108 2.181 1.00 . A A . 16 CYS CA 1 1 11 5804 1 1 16 CYS CB C 10.640 -4.516 1.127 1.00 . A A . 16 CYS CB 1 1 11 5805 1 1 16 CYS H H 8.405 -3.617 0.588 1.00 . A A . 16 CYS H 1 1 11 5806 1 1 16 CYS HA H 9.420 -4.963 2.809 1.00 . A A . 16 CYS HA 1 1 11 5807 1 1 16 CYS HB2 H 10.840 -3.669 0.496 1.00 . A A . 16 CYS HB2 1 1 11 5808 1 1 16 CYS HB3 H 11.572 -4.756 1.601 1.00 . A A . 16 CYS HB3 1 1 11 5809 1 1 16 CYS N N 8.392 -3.759 1.556 1.00 . A A . 16 CYS N 1 1 11 5810 1 1 16 CYS O O 9.545 -1.872 3.155 1.00 . A A . 16 CYS O 1 1 11 5811 1 1 16 CYS SG S 10.146 -5.962 0.105 1.00 . A A . 16 CYS SG 1 1 11 5812 1 1 17 LYS C C 11.996 -0.932 4.445 1.00 . A A . 17 LYS C 1 1 11 5813 1 1 17 LYS CA C 11.805 -2.383 4.828 1.00 . A A . 17 LYS CA 1 1 11 5814 1 1 17 LYS CB C 13.147 -2.939 5.276 1.00 . A A . 17 LYS CB 1 1 11 5815 1 1 17 LYS CD C 12.310 -4.522 7.035 1.00 . A A . 17 LYS CD 1 1 11 5816 1 1 17 LYS CE C 12.314 -5.966 7.505 1.00 . A A . 17 LYS CE 1 1 11 5817 1 1 17 LYS CG C 13.110 -4.363 5.755 1.00 . A A . 17 LYS CG 1 1 11 5818 1 1 17 LYS H H 11.759 -4.011 3.442 1.00 . A A . 17 LYS H 1 1 11 5819 1 1 17 LYS HA H 11.136 -2.432 5.670 1.00 . A A . 17 LYS HA 1 1 11 5820 1 1 17 LYS HB2 H 13.834 -2.894 4.444 1.00 . A A . 17 LYS HB2 1 1 11 5821 1 1 17 LYS HB3 H 13.526 -2.320 6.074 1.00 . A A . 17 LYS HB3 1 1 11 5822 1 1 17 LYS HD2 H 12.743 -3.901 7.804 1.00 . A A . 17 LYS HD2 1 1 11 5823 1 1 17 LYS HD3 H 11.290 -4.216 6.854 1.00 . A A . 17 LYS HD3 1 1 11 5824 1 1 17 LYS HE2 H 11.718 -6.047 8.400 1.00 . A A . 17 LYS HE2 1 1 11 5825 1 1 17 LYS HE3 H 11.886 -6.579 6.725 1.00 . A A . 17 LYS HE3 1 1 11 5826 1 1 17 LYS HG2 H 12.652 -4.960 4.983 1.00 . A A . 17 LYS HG2 1 1 11 5827 1 1 17 LYS HG3 H 14.130 -4.675 5.907 1.00 . A A . 17 LYS HG3 1 1 11 5828 1 1 17 LYS HZ1 H 14.282 -6.448 6.956 1.00 . A A . 17 LYS HZ1 1 1 11 5829 1 1 17 LYS HZ2 H 13.658 -7.422 8.172 1.00 . A A . 17 LYS HZ2 1 1 11 5830 1 1 17 LYS HZ3 H 14.130 -5.852 8.518 1.00 . A A . 17 LYS HZ3 1 1 11 5831 1 1 17 LYS N N 11.256 -3.224 3.740 1.00 . A A . 17 LYS N 1 1 11 5832 1 1 17 LYS NZ N 13.676 -6.451 7.800 1.00 . A A . 17 LYS NZ 1 1 11 5833 1 1 17 LYS O O 11.411 -0.031 5.033 1.00 . A A . 17 LYS O 1 1 11 5834 1 1 18 HIS C C 12.165 1.273 2.117 1.00 . A A . 18 HIS C 1 1 11 5835 1 1 18 HIS CA C 13.210 0.608 3.011 1.00 . A A . 18 HIS CA 1 1 11 5836 1 1 18 HIS CB C 14.549 0.513 2.262 1.00 . A A . 18 HIS CB 1 1 11 5837 1 1 18 HIS CD2 C 16.024 0.016 4.326 1.00 . A A . 18 HIS CD2 1 1 11 5838 1 1 18 HIS CE1 C 17.274 -1.536 3.496 1.00 . A A . 18 HIS CE1 1 1 11 5839 1 1 18 HIS CG C 15.632 -0.163 3.045 1.00 . A A . 18 HIS CG 1 1 11 5840 1 1 18 HIS H H 13.106 -1.538 2.997 1.00 . A A . 18 HIS H 1 1 11 5841 1 1 18 HIS HA H 13.357 1.216 3.892 1.00 . A A . 18 HIS HA 1 1 11 5842 1 1 18 HIS HB2 H 14.405 -0.047 1.350 1.00 . A A . 18 HIS HB2 1 1 11 5843 1 1 18 HIS HB3 H 14.889 1.506 2.012 1.00 . A A . 18 HIS HB3 1 1 11 5844 1 1 18 HIS HD1 H 16.414 -1.506 1.623 1.00 . A A . 18 HIS HD1 1 1 11 5845 1 1 18 HIS HD2 H 15.598 0.719 5.027 1.00 . A A . 18 HIS HD2 1 1 11 5846 1 1 18 HIS HE1 H 18.024 -2.303 3.375 1.00 . A A . 18 HIS HE1 1 1 11 5847 1 1 18 HIS N N 12.788 -0.729 3.454 1.00 . A A . 18 HIS N 1 1 11 5848 1 1 18 HIS ND1 N 16.441 -1.147 2.538 1.00 . A A . 18 HIS ND1 1 1 11 5849 1 1 18 HIS NE2 N 17.063 -0.859 4.610 1.00 . A A . 18 HIS NE2 1 1 11 5850 1 1 18 HIS O O 12.469 2.201 1.371 1.00 . A A . 18 HIS O 1 1 11 5851 1 1 19 LEU C C 8.771 1.836 2.317 1.00 . A A . 19 LEU C 1 1 11 5852 1 1 19 LEU CA C 9.889 1.360 1.415 1.00 . A A . 19 LEU CA 1 1 11 5853 1 1 19 LEU CB C 9.386 0.266 0.460 1.00 . A A . 19 LEU CB 1 1 11 5854 1 1 19 LEU CD1 C 9.916 -1.554 -1.157 1.00 . A A . 19 LEU CD1 1 1 11 5855 1 1 19 LEU CD2 C 10.751 0.676 -1.602 1.00 . A A . 19 LEU CD2 1 1 11 5856 1 1 19 LEU CG C 10.424 -0.310 -0.517 1.00 . A A . 19 LEU CG 1 1 11 5857 1 1 19 LEU H H 10.722 0.141 2.879 1.00 . A A . 19 LEU H 1 1 11 5858 1 1 19 LEU HA H 10.244 2.207 0.842 1.00 . A A . 19 LEU HA 1 1 11 5859 1 1 19 LEU HB2 H 8.998 -0.544 1.058 1.00 . A A . 19 LEU HB2 1 1 11 5860 1 1 19 LEU HB3 H 8.573 0.678 -0.120 1.00 . A A . 19 LEU HB3 1 1 11 5861 1 1 19 LEU HD11 H 10.691 -1.913 -1.818 1.00 . A A . 19 LEU HD11 1 1 11 5862 1 1 19 LEU HD12 H 9.033 -1.314 -1.730 1.00 . A A . 19 LEU HD12 1 1 11 5863 1 1 19 LEU HD13 H 9.694 -2.296 -0.408 1.00 . A A . 19 LEU HD13 1 1 11 5864 1 1 19 LEU HD21 H 11.431 0.203 -2.296 1.00 . A A . 19 LEU HD21 1 1 11 5865 1 1 19 LEU HD22 H 11.232 1.539 -1.169 1.00 . A A . 19 LEU HD22 1 1 11 5866 1 1 19 LEU HD23 H 9.850 0.965 -2.121 1.00 . A A . 19 LEU HD23 1 1 11 5867 1 1 19 LEU HG H 11.338 -0.538 0.011 1.00 . A A . 19 LEU HG 1 1 11 5868 1 1 19 LEU N N 10.947 0.834 2.219 1.00 . A A . 19 LEU N 1 1 11 5869 1 1 19 LEU O O 8.771 1.565 3.523 1.00 . A A . 19 LEU O 1 1 11 5870 1 1 20 GLY C C 5.537 2.948 1.562 1.00 . A A . 20 GLY C 1 1 11 5871 1 1 20 GLY CA C 6.728 3.044 2.450 1.00 . A A . 20 GLY CA 1 1 11 5872 1 1 20 GLY H H 7.945 2.748 0.785 1.00 . A A . 20 GLY H 1 1 11 5873 1 1 20 GLY HA2 H 6.574 2.456 3.343 1.00 . A A . 20 GLY HA2 1 1 11 5874 1 1 20 GLY HA3 H 6.887 4.079 2.713 1.00 . A A . 20 GLY HA3 1 1 11 5875 1 1 20 GLY N N 7.862 2.551 1.746 1.00 . A A . 20 GLY N 1 1 11 5876 1 1 20 GLY O O 5.666 3.111 0.345 1.00 . A A . 20 GLY O 1 1 11 5877 1 1 21 CYS C C 2.541 3.823 1.080 1.00 . A A . 21 CYS C 1 1 11 5878 1 1 21 CYS CA C 3.226 2.503 1.329 1.00 . A A . 21 CYS CA 1 1 11 5879 1 1 21 CYS CB C 2.273 1.522 2.013 1.00 . A A . 21 CYS CB 1 1 11 5880 1 1 21 CYS H H 4.349 2.666 3.105 1.00 . A A . 21 CYS H 1 1 11 5881 1 1 21 CYS HA H 3.525 2.086 0.380 1.00 . A A . 21 CYS HA 1 1 11 5882 1 1 21 CYS HB2 H 2.771 0.571 2.125 1.00 . A A . 21 CYS HB2 1 1 11 5883 1 1 21 CYS HB3 H 2.023 1.904 2.992 1.00 . A A . 21 CYS HB3 1 1 11 5884 1 1 21 CYS N N 4.410 2.694 2.119 1.00 . A A . 21 CYS N 1 1 11 5885 1 1 21 CYS O O 2.299 4.604 2.003 1.00 . A A . 21 CYS O 1 1 11 5886 1 1 21 CYS SG S 0.712 1.213 1.118 1.00 . A A . 21 CYS SG 1 1 11 5887 1 1 22 LYS C C 0.103 5.003 -0.569 1.00 . A A . 22 LYS C 1 1 11 5888 1 1 22 LYS CA C 1.553 5.286 -0.457 1.00 . A A . 22 LYS CA 1 1 11 5889 1 1 22 LYS CB C 2.091 6.012 -1.679 1.00 . A A . 22 LYS CB 1 1 11 5890 1 1 22 LYS CD C 2.705 8.081 -0.453 1.00 . A A . 22 LYS CD 1 1 11 5891 1 1 22 LYS CE C 3.765 9.106 -0.159 1.00 . A A . 22 LYS CE 1 1 11 5892 1 1 22 LYS CG C 3.218 6.963 -1.352 1.00 . A A . 22 LYS CG 1 1 11 5893 1 1 22 LYS H H 2.561 3.512 -0.868 1.00 . A A . 22 LYS H 1 1 11 5894 1 1 22 LYS HA H 1.672 5.928 0.400 1.00 . A A . 22 LYS HA 1 1 11 5895 1 1 22 LYS HB2 H 2.453 5.281 -2.387 1.00 . A A . 22 LYS HB2 1 1 11 5896 1 1 22 LYS HB3 H 1.288 6.575 -2.133 1.00 . A A . 22 LYS HB3 1 1 11 5897 1 1 22 LYS HD2 H 1.871 8.567 -0.935 1.00 . A A . 22 LYS HD2 1 1 11 5898 1 1 22 LYS HD3 H 2.358 7.665 0.482 1.00 . A A . 22 LYS HD3 1 1 11 5899 1 1 22 LYS HE2 H 4.584 8.625 0.357 1.00 . A A . 22 LYS HE2 1 1 11 5900 1 1 22 LYS HE3 H 4.118 9.516 -1.093 1.00 . A A . 22 LYS HE3 1 1 11 5901 1 1 22 LYS HG2 H 3.978 6.410 -0.824 1.00 . A A . 22 LYS HG2 1 1 11 5902 1 1 22 LYS HG3 H 3.620 7.386 -2.261 1.00 . A A . 22 LYS HG3 1 1 11 5903 1 1 22 LYS HZ1 H 2.478 10.738 0.222 1.00 . A A . 22 LYS HZ1 1 1 11 5904 1 1 22 LYS HZ2 H 3.997 10.873 0.910 1.00 . A A . 22 LYS HZ2 1 1 11 5905 1 1 22 LYS HZ3 H 2.881 9.841 1.596 1.00 . A A . 22 LYS HZ3 1 1 11 5906 1 1 22 LYS N N 2.275 4.113 -0.142 1.00 . A A . 22 LYS N 1 1 11 5907 1 1 22 LYS NZ N 3.237 10.196 0.684 1.00 . A A . 22 LYS NZ 1 1 11 5908 1 1 22 LYS O O -0.356 4.422 -1.543 1.00 . A A . 22 LYS O 1 1 11 5909 1 1 23 ARG C C -2.804 6.123 -0.511 1.00 . A A . 23 ARG C 1 1 11 5910 1 1 23 ARG CA C -2.066 5.271 0.512 1.00 . A A . 23 ARG CA 1 1 11 5911 1 1 23 ARG CB C -2.595 5.593 1.923 1.00 . A A . 23 ARG CB 1 1 11 5912 1 1 23 ARG CD C -0.739 4.664 3.441 1.00 . A A . 23 ARG CD 1 1 11 5913 1 1 23 ARG CG C -2.207 4.621 3.043 1.00 . A A . 23 ARG CG 1 1 11 5914 1 1 23 ARG CZ C 0.727 3.491 5.102 1.00 . A A . 23 ARG CZ 1 1 11 5915 1 1 23 ARG H H -0.172 5.999 1.106 1.00 . A A . 23 ARG H 1 1 11 5916 1 1 23 ARG HA H -2.263 4.233 0.295 1.00 . A A . 23 ARG HA 1 1 11 5917 1 1 23 ARG HB2 H -2.230 6.569 2.205 1.00 . A A . 23 ARG HB2 1 1 11 5918 1 1 23 ARG HB3 H -3.673 5.638 1.873 1.00 . A A . 23 ARG HB3 1 1 11 5919 1 1 23 ARG HD2 H -0.133 4.354 2.602 1.00 . A A . 23 ARG HD2 1 1 11 5920 1 1 23 ARG HD3 H -0.488 5.676 3.715 1.00 . A A . 23 ARG HD3 1 1 11 5921 1 1 23 ARG HE H -1.289 3.419 5.016 1.00 . A A . 23 ARG HE 1 1 11 5922 1 1 23 ARG HG2 H -2.790 4.856 3.920 1.00 . A A . 23 ARG HG2 1 1 11 5923 1 1 23 ARG HG3 H -2.442 3.625 2.699 1.00 . A A . 23 ARG HG3 1 1 11 5924 1 1 23 ARG HH11 H 1.805 4.462 3.664 1.00 . A A . 23 ARG HH11 1 1 11 5925 1 1 23 ARG HH12 H 2.747 3.680 4.847 1.00 . A A . 23 ARG HH12 1 1 11 5926 1 1 23 ARG HH21 H 0.044 2.370 6.693 1.00 . A A . 23 ARG HH21 1 1 11 5927 1 1 23 ARG HH22 H 1.749 2.575 6.587 1.00 . A A . 23 ARG HH22 1 1 11 5928 1 1 23 ARG N N -0.627 5.468 0.415 1.00 . A A . 23 ARG N 1 1 11 5929 1 1 23 ARG NE N -0.476 3.782 4.595 1.00 . A A . 23 ARG NE 1 1 11 5930 1 1 23 ARG NH1 N 1.821 3.912 4.507 1.00 . A A . 23 ARG NH1 1 1 11 5931 1 1 23 ARG NH2 N 0.831 2.751 6.199 1.00 . A A . 23 ARG NH2 1 1 11 5932 1 1 23 ARG O O -4.009 5.998 -0.686 1.00 . A A . 23 ARG O 1 1 11 5933 1 1 24 LYS C C -2.727 7.067 -3.471 1.00 . A A . 24 LYS C 1 1 11 5934 1 1 24 LYS CA C -2.627 7.822 -2.179 1.00 . A A . 24 LYS CA 1 1 11 5935 1 1 24 LYS CB C -1.700 9.039 -2.356 1.00 . A A . 24 LYS CB 1 1 11 5936 1 1 24 LYS CD C -1.144 11.172 -3.612 1.00 . A A . 24 LYS CD 1 1 11 5937 1 1 24 LYS CE C -0.899 12.027 -2.367 1.00 . A A . 24 LYS CE 1 1 11 5938 1 1 24 LYS CG C -2.176 10.063 -3.383 1.00 . A A . 24 LYS CG 1 1 11 5939 1 1 24 LYS H H -1.096 6.926 -1.081 1.00 . A A . 24 LYS H 1 1 11 5940 1 1 24 LYS HA H -3.600 8.157 -1.854 1.00 . A A . 24 LYS HA 1 1 11 5941 1 1 24 LYS HB2 H -1.604 9.535 -1.402 1.00 . A A . 24 LYS HB2 1 1 11 5942 1 1 24 LYS HB3 H -0.727 8.682 -2.657 1.00 . A A . 24 LYS HB3 1 1 11 5943 1 1 24 LYS HD2 H -0.209 10.722 -3.909 1.00 . A A . 24 LYS HD2 1 1 11 5944 1 1 24 LYS HD3 H -1.496 11.807 -4.412 1.00 . A A . 24 LYS HD3 1 1 11 5945 1 1 24 LYS HE2 H -0.577 11.392 -1.557 1.00 . A A . 24 LYS HE2 1 1 11 5946 1 1 24 LYS HE3 H -0.116 12.736 -2.593 1.00 . A A . 24 LYS HE3 1 1 11 5947 1 1 24 LYS HG2 H -2.350 9.555 -4.319 1.00 . A A . 24 LYS HG2 1 1 11 5948 1 1 24 LYS HG3 H -3.098 10.503 -3.035 1.00 . A A . 24 LYS HG3 1 1 11 5949 1 1 24 LYS HZ1 H -2.880 12.119 -1.692 1.00 . A A . 24 LYS HZ1 1 1 11 5950 1 1 24 LYS HZ2 H -2.444 13.396 -2.700 1.00 . A A . 24 LYS HZ2 1 1 11 5951 1 1 24 LYS HZ3 H -1.898 13.354 -1.118 1.00 . A A . 24 LYS HZ3 1 1 11 5952 1 1 24 LYS N N -2.068 6.942 -1.209 1.00 . A A . 24 LYS N 1 1 11 5953 1 1 24 LYS NZ N -2.105 12.764 -1.949 1.00 . A A . 24 LYS NZ 1 1 11 5954 1 1 24 LYS O O -3.694 7.188 -4.218 1.00 . A A . 24 LYS O 1 1 11 5955 1 1 25 MET C C -1.779 4.036 -4.800 1.00 . A A . 25 MET C 1 1 11 5956 1 1 25 MET CA C -1.607 5.547 -4.945 1.00 . A A . 25 MET CA 1 1 11 5957 1 1 25 MET CB C -0.277 5.878 -5.570 1.00 . A A . 25 MET CB 1 1 11 5958 1 1 25 MET CE C -0.969 6.578 -8.651 1.00 . A A . 25 MET CE 1 1 11 5959 1 1 25 MET CG C -0.153 7.310 -6.080 1.00 . A A . 25 MET CG 1 1 11 5960 1 1 25 MET H H -1.063 6.108 -3.003 1.00 . A A . 25 MET H 1 1 11 5961 1 1 25 MET HA H -2.377 5.915 -5.606 1.00 . A A . 25 MET HA 1 1 11 5962 1 1 25 MET HB2 H 0.501 5.686 -4.846 1.00 . A A . 25 MET HB2 1 1 11 5963 1 1 25 MET HB3 H -0.131 5.196 -6.384 1.00 . A A . 25 MET HB3 1 1 11 5964 1 1 25 MET HE1 H 0.050 6.748 -8.962 1.00 . A A . 25 MET HE1 1 1 11 5965 1 1 25 MET HE2 H -1.631 6.735 -9.489 1.00 . A A . 25 MET HE2 1 1 11 5966 1 1 25 MET HE3 H -1.077 5.563 -8.296 1.00 . A A . 25 MET HE3 1 1 11 5967 1 1 25 MET HG2 H -0.283 7.983 -5.245 1.00 . A A . 25 MET HG2 1 1 11 5968 1 1 25 MET HG3 H 0.832 7.447 -6.502 1.00 . A A . 25 MET HG3 1 1 11 5969 1 1 25 MET N N -1.732 6.255 -3.705 1.00 . A A . 25 MET N 1 1 11 5970 1 1 25 MET O O -1.841 3.317 -5.796 1.00 . A A . 25 MET O 1 1 11 5971 1 1 25 MET SD S -1.391 7.729 -7.339 1.00 . A A . 25 MET SD 1 1 11 5972 1 1 26 LYS C C -0.774 1.337 -3.605 1.00 . A A . 26 LYS C 1 1 11 5973 1 1 26 LYS CA C -1.966 2.158 -3.196 1.00 . A A . 26 LYS CA 1 1 11 5974 1 1 26 LYS CB C -3.284 1.547 -3.695 1.00 . A A . 26 LYS CB 1 1 11 5975 1 1 26 LYS CD C -4.437 2.357 -1.598 1.00 . A A . 26 LYS CD 1 1 11 5976 1 1 26 LYS CE C -4.337 1.003 -0.889 1.00 . A A . 26 LYS CE 1 1 11 5977 1 1 26 LYS CG C -4.520 2.230 -3.122 1.00 . A A . 26 LYS CG 1 1 11 5978 1 1 26 LYS H H -1.710 4.208 -2.818 1.00 . A A . 26 LYS H 1 1 11 5979 1 1 26 LYS HA H -1.958 2.122 -2.117 1.00 . A A . 26 LYS HA 1 1 11 5980 1 1 26 LYS HB2 H -3.314 1.623 -4.772 1.00 . A A . 26 LYS HB2 1 1 11 5981 1 1 26 LYS HB3 H -3.310 0.505 -3.417 1.00 . A A . 26 LYS HB3 1 1 11 5982 1 1 26 LYS HD2 H -3.520 2.901 -1.403 1.00 . A A . 26 LYS HD2 1 1 11 5983 1 1 26 LYS HD3 H -5.284 2.914 -1.226 1.00 . A A . 26 LYS HD3 1 1 11 5984 1 1 26 LYS HE2 H -3.422 0.519 -1.193 1.00 . A A . 26 LYS HE2 1 1 11 5985 1 1 26 LYS HE3 H -4.299 1.175 0.176 1.00 . A A . 26 LYS HE3 1 1 11 5986 1 1 26 LYS HG2 H -4.602 3.219 -3.550 1.00 . A A . 26 LYS HG2 1 1 11 5987 1 1 26 LYS HG3 H -5.393 1.651 -3.382 1.00 . A A . 26 LYS HG3 1 1 11 5988 1 1 26 LYS HZ1 H -6.357 0.457 -0.820 1.00 . A A . 26 LYS HZ1 1 1 11 5989 1 1 26 LYS HZ2 H -5.266 -0.848 -0.786 1.00 . A A . 26 LYS HZ2 1 1 11 5990 1 1 26 LYS HZ3 H -5.558 -0.040 -2.213 1.00 . A A . 26 LYS HZ3 1 1 11 5991 1 1 26 LYS N N -1.818 3.576 -3.560 1.00 . A A . 26 LYS N 1 1 11 5992 1 1 26 LYS NZ N -5.455 0.097 -1.189 1.00 . A A . 26 LYS NZ 1 1 11 5993 1 1 26 LYS O O -0.887 0.148 -3.915 1.00 . A A . 26 LYS O 1 1 11 5994 1 1 27 TYR C C 2.775 1.682 -3.054 1.00 . A A . 27 TYR C 1 1 11 5995 1 1 27 TYR CA C 1.601 1.237 -3.869 1.00 . A A . 27 TYR CA 1 1 11 5996 1 1 27 TYR CB C 1.954 1.226 -5.376 1.00 . A A . 27 TYR CB 1 1 11 5997 1 1 27 TYR CD1 C 3.574 3.144 -5.813 1.00 . A A . 27 TYR CD1 1 1 11 5998 1 1 27 TYR CD2 C 1.472 3.159 -6.919 1.00 . A A . 27 TYR CD2 1 1 11 5999 1 1 27 TYR CE1 C 3.935 4.306 -6.455 1.00 . A A . 27 TYR CE1 1 1 11 6000 1 1 27 TYR CE2 C 1.823 4.324 -7.559 1.00 . A A . 27 TYR CE2 1 1 11 6001 1 1 27 TYR CG C 2.329 2.548 -6.033 1.00 . A A . 27 TYR CG 1 1 11 6002 1 1 27 TYR CZ C 3.050 4.894 -7.329 1.00 . A A . 27 TYR CZ 1 1 11 6003 1 1 27 TYR H H 0.349 2.848 -3.141 1.00 . A A . 27 TYR H 1 1 11 6004 1 1 27 TYR HA H 1.415 0.215 -3.568 1.00 . A A . 27 TYR HA 1 1 11 6005 1 1 27 TYR HB2 H 2.802 0.571 -5.505 1.00 . A A . 27 TYR HB2 1 1 11 6006 1 1 27 TYR HB3 H 1.124 0.796 -5.913 1.00 . A A . 27 TYR HB3 1 1 11 6007 1 1 27 TYR HD1 H 4.266 2.689 -5.120 1.00 . A A . 27 TYR HD1 1 1 11 6008 1 1 27 TYR HD2 H 0.503 2.721 -7.102 1.00 . A A . 27 TYR HD2 1 1 11 6009 1 1 27 TYR HE1 H 4.905 4.741 -6.267 1.00 . A A . 27 TYR HE1 1 1 11 6010 1 1 27 TYR HE2 H 1.129 4.788 -8.242 1.00 . A A . 27 TYR HE2 1 1 11 6011 1 1 27 TYR HH H 4.337 6.042 -8.195 1.00 . A A . 27 TYR HH 1 1 11 6012 1 1 27 TYR N N 0.371 1.942 -3.524 1.00 . A A . 27 TYR N 1 1 11 6013 1 1 27 TYR O O 2.780 2.778 -2.481 1.00 . A A . 27 TYR O 1 1 11 6014 1 1 27 TYR OH O 3.395 6.051 -7.991 1.00 . A A . 27 TYR OH 1 1 11 6015 1 1 28 CYS C C 5.891 2.029 -2.996 1.00 . A A . 28 CYS C 1 1 11 6016 1 1 28 CYS CA C 4.954 1.077 -2.274 1.00 . A A . 28 CYS CA 1 1 11 6017 1 1 28 CYS CB C 5.658 -0.245 -2.020 1.00 . A A . 28 CYS CB 1 1 11 6018 1 1 28 CYS H H 3.662 0.010 -3.540 1.00 . A A . 28 CYS H 1 1 11 6019 1 1 28 CYS HA H 4.678 1.500 -1.321 1.00 . A A . 28 CYS HA 1 1 11 6020 1 1 28 CYS HB2 H 6.006 -0.645 -2.961 1.00 . A A . 28 CYS HB2 1 1 11 6021 1 1 28 CYS HB3 H 6.505 -0.075 -1.372 1.00 . A A . 28 CYS HB3 1 1 11 6022 1 1 28 CYS N N 3.764 0.847 -3.030 1.00 . A A . 28 CYS N 1 1 11 6023 1 1 28 CYS O O 6.174 1.869 -4.191 1.00 . A A . 28 CYS O 1 1 11 6024 1 1 28 CYS SG S 4.606 -1.504 -1.243 1.00 . A A . 28 CYS SG 1 1 11 6025 1 1 29 ALA C C 8.497 3.838 -1.799 1.00 . A A . 29 ALA C 1 1 11 6026 1 1 29 ALA CA C 7.312 3.955 -2.744 1.00 . A A . 29 ALA CA 1 1 11 6027 1 1 29 ALA CB C 6.716 5.355 -2.729 1.00 . A A . 29 ALA CB 1 1 11 6028 1 1 29 ALA H H 6.021 3.096 -1.354 1.00 . A A . 29 ALA H 1 1 11 6029 1 1 29 ALA HA H 7.609 3.686 -3.748 1.00 . A A . 29 ALA HA 1 1 11 6030 1 1 29 ALA HB1 H 5.865 5.379 -3.396 1.00 . A A . 29 ALA HB1 1 1 11 6031 1 1 29 ALA HB2 H 7.454 6.068 -3.063 1.00 . A A . 29 ALA HB2 1 1 11 6032 1 1 29 ALA HB3 H 6.395 5.603 -1.727 1.00 . A A . 29 ALA HB3 1 1 11 6033 1 1 29 ALA N N 6.342 3.009 -2.281 1.00 . A A . 29 ALA N 1 1 11 6034 1 1 29 ALA O O 8.457 3.006 -0.907 1.00 . A A . 29 ALA O 1 1 11 6035 1 1 30 TRP C C 10.478 5.170 0.309 1.00 . A A . 30 TRP C 1 1 11 6036 1 1 30 TRP CA C 10.698 4.550 -1.058 1.00 . A A . 30 TRP CA 1 1 11 6037 1 1 30 TRP CB C 11.955 5.145 -1.696 1.00 . A A . 30 TRP CB 1 1 11 6038 1 1 30 TRP CD1 C 12.360 4.645 -4.156 1.00 . A A . 30 TRP CD1 1 1 11 6039 1 1 30 TRP CD2 C 13.211 3.169 -2.751 1.00 . A A . 30 TRP CD2 1 1 11 6040 1 1 30 TRP CE2 C 13.512 2.747 -4.041 1.00 . A A . 30 TRP CE2 1 1 11 6041 1 1 30 TRP CE3 C 13.629 2.424 -1.685 1.00 . A A . 30 TRP CE3 1 1 11 6042 1 1 30 TRP CG C 12.477 4.366 -2.844 1.00 . A A . 30 TRP CG 1 1 11 6043 1 1 30 TRP CH2 C 14.641 0.861 -3.209 1.00 . A A . 30 TRP CH2 1 1 11 6044 1 1 30 TRP CZ2 C 14.231 1.584 -4.292 1.00 . A A . 30 TRP CZ2 1 1 11 6045 1 1 30 TRP CZ3 C 14.344 1.271 -1.910 1.00 . A A . 30 TRP CZ3 1 1 11 6046 1 1 30 TRP H H 9.505 5.377 -2.610 1.00 . A A . 30 TRP H 1 1 11 6047 1 1 30 TRP HA H 10.862 3.494 -0.914 1.00 . A A . 30 TRP HA 1 1 11 6048 1 1 30 TRP HB2 H 11.756 6.146 -2.036 1.00 . A A . 30 TRP HB2 1 1 11 6049 1 1 30 TRP HB3 H 12.730 5.185 -0.944 1.00 . A A . 30 TRP HB3 1 1 11 6050 1 1 30 TRP HD1 H 11.844 5.509 -4.546 1.00 . A A . 30 TRP HD1 1 1 11 6051 1 1 30 TRP HE1 H 13.025 3.627 -5.876 1.00 . A A . 30 TRP HE1 1 1 11 6052 1 1 30 TRP HE3 H 13.354 2.787 -0.709 1.00 . A A . 30 TRP HE3 1 1 11 6053 1 1 30 TRP HH2 H 15.203 -0.049 -3.348 1.00 . A A . 30 TRP HH2 1 1 11 6054 1 1 30 TRP HZ2 H 14.465 1.250 -5.291 1.00 . A A . 30 TRP HZ2 1 1 11 6055 1 1 30 TRP HZ3 H 14.683 0.674 -1.075 1.00 . A A . 30 TRP HZ3 1 1 11 6056 1 1 30 TRP N N 9.515 4.664 -1.935 1.00 . A A . 30 TRP N 1 1 11 6057 1 1 30 TRP NE1 N 12.978 3.667 -4.894 1.00 . A A . 30 TRP NE1 1 1 11 6058 1 1 30 TRP O O 11.381 5.172 1.148 1.00 . A A . 30 TRP O 1 1 11 6059 1 1 31 ASP C C 7.445 6.673 1.625 1.00 . A A . 31 ASP C 1 1 11 6060 1 1 31 ASP CA C 8.903 6.335 1.733 1.00 . A A . 31 ASP CA 1 1 11 6061 1 1 31 ASP CB C 9.757 7.586 1.948 1.00 . A A . 31 ASP CB 1 1 11 6062 1 1 31 ASP CG C 9.265 8.473 3.062 1.00 . A A . 31 ASP CG 1 1 11 6063 1 1 31 ASP H H 8.566 5.596 -0.130 1.00 . A A . 31 ASP H 1 1 11 6064 1 1 31 ASP HA H 9.048 5.650 2.555 1.00 . A A . 31 ASP HA 1 1 11 6065 1 1 31 ASP HB2 H 10.738 7.214 2.201 1.00 . A A . 31 ASP HB2 1 1 11 6066 1 1 31 ASP HB3 H 9.810 8.138 1.022 1.00 . A A . 31 ASP HB3 1 1 11 6067 1 1 31 ASP N N 9.283 5.672 0.530 1.00 . A A . 31 ASP N 1 1 11 6068 1 1 31 ASP O O 6.924 6.829 0.518 1.00 . A A . 31 ASP O 1 1 11 6069 1 1 31 ASP OD1 O 8.868 9.620 2.781 1.00 . A A . 31 ASP OD1 1 1 11 6070 1 1 31 ASP OD2 O 9.195 8.030 4.213 1.00 . A A . 31 ASP OD2 1 1 11 6071 1 1 32 PHE C C 5.047 8.423 3.190 1.00 . A A . 32 PHE C 1 1 11 6072 1 1 32 PHE CA C 5.367 6.983 2.802 1.00 . A A . 32 PHE CA 1 1 11 6073 1 1 32 PHE CB C 4.717 6.033 3.821 1.00 . A A . 32 PHE CB 1 1 11 6074 1 1 32 PHE CD1 C 4.970 7.107 6.111 1.00 . A A . 32 PHE CD1 1 1 11 6075 1 1 32 PHE CD2 C 6.176 5.101 5.657 1.00 . A A . 32 PHE CD2 1 1 11 6076 1 1 32 PHE CE1 C 5.491 7.128 7.387 1.00 . A A . 32 PHE CE1 1 1 11 6077 1 1 32 PHE CE2 C 6.699 5.126 6.931 1.00 . A A . 32 PHE CE2 1 1 11 6078 1 1 32 PHE CG C 5.308 6.089 5.222 1.00 . A A . 32 PHE CG 1 1 11 6079 1 1 32 PHE CZ C 6.357 6.138 7.797 1.00 . A A . 32 PHE CZ 1 1 11 6080 1 1 32 PHE H H 7.331 6.589 3.540 1.00 . A A . 32 PHE H 1 1 11 6081 1 1 32 PHE HA H 4.939 6.767 1.833 1.00 . A A . 32 PHE HA 1 1 11 6082 1 1 32 PHE HB2 H 3.668 6.277 3.903 1.00 . A A . 32 PHE HB2 1 1 11 6083 1 1 32 PHE HB3 H 4.809 5.019 3.460 1.00 . A A . 32 PHE HB3 1 1 11 6084 1 1 32 PHE HD1 H 4.305 7.902 5.795 1.00 . A A . 32 PHE HD1 1 1 11 6085 1 1 32 PHE HD2 H 6.449 4.304 4.982 1.00 . A A . 32 PHE HD2 1 1 11 6086 1 1 32 PHE HE1 H 5.220 7.922 8.066 1.00 . A A . 32 PHE HE1 1 1 11 6087 1 1 32 PHE HE2 H 7.379 4.351 7.252 1.00 . A A . 32 PHE HE2 1 1 11 6088 1 1 32 PHE HZ H 6.765 6.152 8.796 1.00 . A A . 32 PHE HZ 1 1 11 6089 1 1 32 PHE N N 6.797 6.730 2.731 1.00 . A A . 32 PHE N 1 1 11 6090 1 1 32 PHE O O 3.878 8.793 3.223 1.00 . A A . 32 PHE O 1 1 11 6091 1 1 33 THR C C 5.693 10.488 5.483 1.00 . A A . 33 THR C 1 1 11 6092 1 1 33 THR CA C 5.960 10.565 3.984 1.00 . A A . 33 THR CA 1 1 11 6093 1 1 33 THR CB C 4.866 11.425 3.292 1.00 . A A . 33 THR CB 1 1 11 6094 1 1 33 THR CG2 C 4.708 12.762 3.973 1.00 . A A . 33 THR CG2 1 1 11 6095 1 1 33 THR H H 6.995 8.896 3.270 1.00 . A A . 33 THR H 1 1 11 6096 1 1 33 THR HA H 6.923 11.038 3.850 1.00 . A A . 33 THR HA 1 1 11 6097 1 1 33 THR HB H 3.944 10.873 3.384 1.00 . A A . 33 THR HB 1 1 11 6098 1 1 33 THR HG1 H 6.100 11.414 1.760 1.00 . A A . 33 THR HG1 1 1 11 6099 1 1 33 THR HG21 H 3.938 13.342 3.488 1.00 . A A . 33 THR HG21 1 1 11 6100 1 1 33 THR HG22 H 5.651 13.289 3.963 1.00 . A A . 33 THR HG22 1 1 11 6101 1 1 33 THR HG23 H 4.416 12.542 4.991 1.00 . A A . 33 THR HG23 1 1 11 6102 1 1 33 THR N N 6.084 9.218 3.443 1.00 . A A . 33 THR N 1 1 11 6103 1 1 33 THR O O 4.576 10.235 5.921 1.00 . A A . 33 THR O 1 1 11 6104 1 1 33 THR OG1 O 5.165 11.612 1.898 1.00 . A A . 33 THR OG1 1 1 11 6105 1 1 34 PHE C C 6.125 11.939 8.203 1.00 . A A . 34 PHE C 1 1 11 6106 1 1 34 PHE CA C 6.616 10.598 7.681 1.00 . A A . 34 PHE CA 1 1 11 6107 1 1 34 PHE CB C 7.965 10.204 8.308 1.00 . A A . 34 PHE CB 1 1 11 6108 1 1 34 PHE CD1 C 8.375 11.003 10.659 1.00 . A A . 34 PHE CD1 1 1 11 6109 1 1 34 PHE CD2 C 7.465 8.828 10.348 1.00 . A A . 34 PHE CD2 1 1 11 6110 1 1 34 PHE CE1 C 8.350 10.824 12.026 1.00 . A A . 34 PHE CE1 1 1 11 6111 1 1 34 PHE CE2 C 7.436 8.640 11.715 1.00 . A A . 34 PHE CE2 1 1 11 6112 1 1 34 PHE CG C 7.933 10.009 9.803 1.00 . A A . 34 PHE CG 1 1 11 6113 1 1 34 PHE CZ C 7.878 9.640 12.556 1.00 . A A . 34 PHE CZ 1 1 11 6114 1 1 34 PHE H H 7.591 10.828 5.830 1.00 . A A . 34 PHE H 1 1 11 6115 1 1 34 PHE HA H 5.879 9.849 7.926 1.00 . A A . 34 PHE HA 1 1 11 6116 1 1 34 PHE HB2 H 8.297 9.277 7.866 1.00 . A A . 34 PHE HB2 1 1 11 6117 1 1 34 PHE HB3 H 8.687 10.976 8.085 1.00 . A A . 34 PHE HB3 1 1 11 6118 1 1 34 PHE HD1 H 8.743 11.929 10.242 1.00 . A A . 34 PHE HD1 1 1 11 6119 1 1 34 PHE HD2 H 7.117 8.045 9.689 1.00 . A A . 34 PHE HD2 1 1 11 6120 1 1 34 PHE HE1 H 8.698 11.609 12.681 1.00 . A A . 34 PHE HE1 1 1 11 6121 1 1 34 PHE HE2 H 7.066 7.711 12.126 1.00 . A A . 34 PHE HE2 1 1 11 6122 1 1 34 PHE HZ H 7.857 9.496 13.627 1.00 . A A . 34 PHE HZ 1 1 11 6123 1 1 34 PHE N N 6.723 10.653 6.249 1.00 . A A . 34 PHE N 1 1 11 6124 1 1 34 PHE O O 6.883 12.913 8.277 1.00 . A A . 34 PHE O 1 1 11 6125 1 1 35 THR C C 4.400 13.266 10.540 1.00 . A A . 35 THR C 1 1 11 6126 1 1 35 THR CA C 4.242 13.198 9.015 1.00 . A A . 35 THR CA 1 1 11 6127 1 1 35 THR CB C 2.747 13.218 8.647 1.00 . A A . 35 THR CB 1 1 11 6128 1 1 35 THR CG2 C 2.097 14.522 9.088 1.00 . A A . 35 THR CG2 1 1 11 6129 1 1 35 THR H H 4.294 11.209 8.359 1.00 . A A . 35 THR H 1 1 11 6130 1 1 35 THR HA H 4.721 14.054 8.565 1.00 . A A . 35 THR HA 1 1 11 6131 1 1 35 THR HB H 2.258 12.390 9.139 1.00 . A A . 35 THR HB 1 1 11 6132 1 1 35 THR HG1 H 3.205 13.707 6.809 1.00 . A A . 35 THR HG1 1 1 11 6133 1 1 35 THR HG21 H 1.053 14.517 8.812 1.00 . A A . 35 THR HG21 1 1 11 6134 1 1 35 THR HG22 H 2.595 15.351 8.609 1.00 . A A . 35 THR HG22 1 1 11 6135 1 1 35 THR HG23 H 2.186 14.623 10.160 1.00 . A A . 35 THR HG23 1 1 11 6136 1 1 35 THR N N 4.859 12.002 8.496 1.00 . A A . 35 THR N 1 1 11 6137 1 1 35 THR O O 4.773 12.263 11.183 1.00 . A A . 35 THR O 1 1 11 6138 1 1 35 THR OG1 O 2.606 13.071 7.220 1.00 . A A . 35 THR OG1 1 1 12 6139 1 1 1 ASP C C 6.613 -10.056 0.674 1.00 . A A . 1 ASP C 1 1 12 6140 1 1 1 ASP CA C 7.121 -11.452 0.677 1.00 . A A . 1 ASP CA 1 1 12 6141 1 1 1 ASP CB C 7.776 -11.765 -0.670 1.00 . A A . 1 ASP CB 1 1 12 6142 1 1 1 ASP CG C 8.518 -13.065 -0.667 1.00 . A A . 1 ASP CG 1 1 12 6143 1 1 1 ASP H1 H 5.291 -12.249 0.205 1.00 . A A . 1 ASP H1 1 1 12 6144 1 1 1 ASP H2 H 5.578 -12.082 1.850 1.00 . A A . 1 ASP H2 1 1 12 6145 1 1 1 ASP H3 H 6.327 -13.347 0.990 1.00 . A A . 1 ASP H3 1 1 12 6146 1 1 1 ASP HA H 7.848 -11.571 1.466 1.00 . A A . 1 ASP HA 1 1 12 6147 1 1 1 ASP HB2 H 7.011 -11.815 -1.432 1.00 . A A . 1 ASP HB2 1 1 12 6148 1 1 1 ASP HB3 H 8.467 -10.972 -0.914 1.00 . A A . 1 ASP HB3 1 1 12 6149 1 1 1 ASP N N 6.011 -12.358 0.946 1.00 . A A . 1 ASP N 1 1 12 6150 1 1 1 ASP O O 5.412 -9.842 0.535 1.00 . A A . 1 ASP O 1 1 12 6151 1 1 1 ASP OD1 O 7.893 -14.118 -0.856 1.00 . A A . 1 ASP OD1 1 1 12 6152 1 1 1 ASP OD2 O 9.750 -13.057 -0.459 1.00 . A A . 1 ASP OD2 1 1 12 6153 1 1 2 CYS C C 6.928 -7.248 -0.603 1.00 . A A . 2 CYS C 1 1 12 6154 1 1 2 CYS CA C 7.086 -7.741 0.810 1.00 . A A . 2 CYS CA 1 1 12 6155 1 1 2 CYS CB C 8.060 -6.874 1.585 1.00 . A A . 2 CYS CB 1 1 12 6156 1 1 2 CYS H H 8.440 -9.291 0.972 1.00 . A A . 2 CYS H 1 1 12 6157 1 1 2 CYS HA H 6.119 -7.656 1.280 1.00 . A A . 2 CYS HA 1 1 12 6158 1 1 2 CYS HB2 H 7.765 -5.851 1.410 1.00 . A A . 2 CYS HB2 1 1 12 6159 1 1 2 CYS HB3 H 7.964 -7.085 2.635 1.00 . A A . 2 CYS HB3 1 1 12 6160 1 1 2 CYS N N 7.487 -9.102 0.829 1.00 . A A . 2 CYS N 1 1 12 6161 1 1 2 CYS O O 7.362 -7.898 -1.575 1.00 . A A . 2 CYS O 1 1 12 6162 1 1 2 CYS SG S 9.807 -7.010 1.081 1.00 . A A . 2 CYS SG 1 1 12 6163 1 1 3 ARG C C 7.172 -4.558 -2.204 1.00 . A A . 3 ARG C 1 1 12 6164 1 1 3 ARG CA C 6.044 -5.520 -1.980 1.00 . A A . 3 ARG CA 1 1 12 6165 1 1 3 ARG CB C 4.764 -4.680 -1.948 1.00 . A A . 3 ARG CB 1 1 12 6166 1 1 3 ARG CD C 3.061 -6.515 -2.266 1.00 . A A . 3 ARG CD 1 1 12 6167 1 1 3 ARG CG C 3.507 -5.348 -1.428 1.00 . A A . 3 ARG CG 1 1 12 6168 1 1 3 ARG CZ C 1.414 -8.273 -1.639 1.00 . A A . 3 ARG CZ 1 1 12 6169 1 1 3 ARG H H 5.921 -5.761 0.113 1.00 . A A . 3 ARG H 1 1 12 6170 1 1 3 ARG HA H 5.978 -6.251 -2.772 1.00 . A A . 3 ARG HA 1 1 12 6171 1 1 3 ARG HB2 H 4.946 -3.819 -1.324 1.00 . A A . 3 ARG HB2 1 1 12 6172 1 1 3 ARG HB3 H 4.569 -4.329 -2.950 1.00 . A A . 3 ARG HB3 1 1 12 6173 1 1 3 ARG HD2 H 2.997 -6.202 -3.298 1.00 . A A . 3 ARG HD2 1 1 12 6174 1 1 3 ARG HD3 H 3.781 -7.312 -2.168 1.00 . A A . 3 ARG HD3 1 1 12 6175 1 1 3 ARG HE H 1.100 -6.265 -1.678 1.00 . A A . 3 ARG HE 1 1 12 6176 1 1 3 ARG HG2 H 3.697 -5.703 -0.426 1.00 . A A . 3 ARG HG2 1 1 12 6177 1 1 3 ARG HG3 H 2.716 -4.613 -1.396 1.00 . A A . 3 ARG HG3 1 1 12 6178 1 1 3 ARG HH11 H 3.267 -9.057 -2.066 1.00 . A A . 3 ARG HH11 1 1 12 6179 1 1 3 ARG HH12 H 2.071 -10.202 -1.694 1.00 . A A . 3 ARG HH12 1 1 12 6180 1 1 3 ARG HH21 H -0.534 -7.896 -1.146 1.00 . A A . 3 ARG HH21 1 1 12 6181 1 1 3 ARG HH22 H -0.082 -9.553 -1.156 1.00 . A A . 3 ARG HH22 1 1 12 6182 1 1 3 ARG N N 6.270 -6.157 -0.721 1.00 . A A . 3 ARG N 1 1 12 6183 1 1 3 ARG NE N 1.750 -6.993 -1.817 1.00 . A A . 3 ARG NE 1 1 12 6184 1 1 3 ARG NH1 N 2.314 -9.234 -1.808 1.00 . A A . 3 ARG NH1 1 1 12 6185 1 1 3 ARG NH2 N 0.177 -8.590 -1.286 1.00 . A A . 3 ARG NH2 1 1 12 6186 1 1 3 ARG O O 7.527 -3.791 -1.282 1.00 . A A . 3 ARG O 1 1 12 6187 1 1 4 TYR C C 7.970 -2.405 -4.281 1.00 . A A . 4 TYR C 1 1 12 6188 1 1 4 TYR CA C 8.702 -3.625 -3.724 1.00 . A A . 4 TYR CA 1 1 12 6189 1 1 4 TYR CB C 9.689 -4.192 -4.715 1.00 . A A . 4 TYR CB 1 1 12 6190 1 1 4 TYR CD1 C 10.671 -6.511 -4.606 1.00 . A A . 4 TYR CD1 1 1 12 6191 1 1 4 TYR CD2 C 11.538 -4.866 -3.122 1.00 . A A . 4 TYR CD2 1 1 12 6192 1 1 4 TYR CE1 C 11.557 -7.435 -4.089 1.00 . A A . 4 TYR CE1 1 1 12 6193 1 1 4 TYR CE2 C 12.420 -5.786 -2.604 1.00 . A A . 4 TYR CE2 1 1 12 6194 1 1 4 TYR CG C 10.646 -5.213 -4.136 1.00 . A A . 4 TYR CG 1 1 12 6195 1 1 4 TYR CZ C 12.427 -7.066 -3.090 1.00 . A A . 4 TYR CZ 1 1 12 6196 1 1 4 TYR H H 7.565 -5.265 -4.049 1.00 . A A . 4 TYR H 1 1 12 6197 1 1 4 TYR HA H 9.223 -3.340 -2.823 1.00 . A A . 4 TYR HA 1 1 12 6198 1 1 4 TYR HB2 H 9.143 -4.648 -5.524 1.00 . A A . 4 TYR HB2 1 1 12 6199 1 1 4 TYR HB3 H 10.256 -3.376 -5.115 1.00 . A A . 4 TYR HB3 1 1 12 6200 1 1 4 TYR HD1 H 9.989 -6.801 -5.390 1.00 . A A . 4 TYR HD1 1 1 12 6201 1 1 4 TYR HD2 H 11.539 -3.862 -2.722 1.00 . A A . 4 TYR HD2 1 1 12 6202 1 1 4 TYR HE1 H 11.568 -8.446 -4.466 1.00 . A A . 4 TYR HE1 1 1 12 6203 1 1 4 TYR HE2 H 13.103 -5.495 -1.819 1.00 . A A . 4 TYR HE2 1 1 12 6204 1 1 4 TYR HH H 13.610 -8.514 -3.338 1.00 . A A . 4 TYR HH 1 1 12 6205 1 1 4 TYR N N 7.755 -4.588 -3.367 1.00 . A A . 4 TYR N 1 1 12 6206 1 1 4 TYR O O 6.746 -2.279 -4.112 1.00 . A A . 4 TYR O 1 1 12 6207 1 1 4 TYR OH O 13.317 -7.988 -2.581 1.00 . A A . 4 TYR OH 1 1 12 6208 1 1 5 MET C C 7.057 -0.600 -6.474 1.00 . A A . 5 MET C 1 1 12 6209 1 1 5 MET CA C 8.074 -0.285 -5.403 1.00 . A A . 5 MET CA 1 1 12 6210 1 1 5 MET CB C 9.114 0.683 -5.947 1.00 . A A . 5 MET CB 1 1 12 6211 1 1 5 MET CE C 9.108 4.790 -6.026 1.00 . A A . 5 MET CE 1 1 12 6212 1 1 5 MET CG C 8.649 2.113 -5.893 1.00 . A A . 5 MET CG 1 1 12 6213 1 1 5 MET H H 9.621 -1.705 -5.138 1.00 . A A . 5 MET H 1 1 12 6214 1 1 5 MET HA H 7.525 0.188 -4.598 1.00 . A A . 5 MET HA 1 1 12 6215 1 1 5 MET HB2 H 10.031 0.596 -5.385 1.00 . A A . 5 MET HB2 1 1 12 6216 1 1 5 MET HB3 H 9.311 0.436 -6.980 1.00 . A A . 5 MET HB3 1 1 12 6217 1 1 5 MET HE1 H 9.260 4.750 -4.955 1.00 . A A . 5 MET HE1 1 1 12 6218 1 1 5 MET HE2 H 8.055 4.875 -6.249 1.00 . A A . 5 MET HE2 1 1 12 6219 1 1 5 MET HE3 H 9.652 5.630 -6.430 1.00 . A A . 5 MET HE3 1 1 12 6220 1 1 5 MET HG2 H 7.682 2.188 -6.366 1.00 . A A . 5 MET HG2 1 1 12 6221 1 1 5 MET HG3 H 8.562 2.382 -4.851 1.00 . A A . 5 MET HG3 1 1 12 6222 1 1 5 MET N N 8.681 -1.517 -4.932 1.00 . A A . 5 MET N 1 1 12 6223 1 1 5 MET O O 7.284 -1.474 -7.308 1.00 . A A . 5 MET O 1 1 12 6224 1 1 5 MET SD S 9.763 3.260 -6.685 1.00 . A A . 5 MET SD 1 1 12 6225 1 1 6 PHE C C 3.982 -1.345 -6.981 1.00 . A A . 6 PHE C 1 1 12 6226 1 1 6 PHE CA C 4.780 -0.089 -7.307 1.00 . A A . 6 PHE CA 1 1 12 6227 1 1 6 PHE CB C 5.171 -0.020 -8.801 1.00 . A A . 6 PHE CB 1 1 12 6228 1 1 6 PHE CD1 C 7.170 1.441 -9.198 1.00 . A A . 6 PHE CD1 1 1 12 6229 1 1 6 PHE CD2 C 5.010 2.364 -9.565 1.00 . A A . 6 PHE CD2 1 1 12 6230 1 1 6 PHE CE1 C 7.752 2.634 -9.546 1.00 . A A . 6 PHE CE1 1 1 12 6231 1 1 6 PHE CE2 C 5.586 3.569 -9.920 1.00 . A A . 6 PHE CE2 1 1 12 6232 1 1 6 PHE CG C 5.795 1.289 -9.201 1.00 . A A . 6 PHE CG 1 1 12 6233 1 1 6 PHE CZ C 6.961 3.703 -9.910 1.00 . A A . 6 PHE CZ 1 1 12 6234 1 1 6 PHE H H 5.831 0.723 -5.656 1.00 . A A . 6 PHE H 1 1 12 6235 1 1 6 PHE HA H 4.126 0.742 -7.081 1.00 . A A . 6 PHE HA 1 1 12 6236 1 1 6 PHE HB2 H 5.880 -0.805 -9.016 1.00 . A A . 6 PHE HB2 1 1 12 6237 1 1 6 PHE HB3 H 4.285 -0.167 -9.401 1.00 . A A . 6 PHE HB3 1 1 12 6238 1 1 6 PHE HD1 H 7.792 0.604 -8.915 1.00 . A A . 6 PHE HD1 1 1 12 6239 1 1 6 PHE HD2 H 3.935 2.254 -9.568 1.00 . A A . 6 PHE HD2 1 1 12 6240 1 1 6 PHE HE1 H 8.829 2.719 -9.525 1.00 . A A . 6 PHE HE1 1 1 12 6241 1 1 6 PHE HE2 H 4.963 4.403 -10.203 1.00 . A A . 6 PHE HE2 1 1 12 6242 1 1 6 PHE HZ H 7.415 4.644 -10.184 1.00 . A A . 6 PHE HZ 1 1 12 6243 1 1 6 PHE N N 5.919 0.076 -6.393 1.00 . A A . 6 PHE N 1 1 12 6244 1 1 6 PHE O O 2.987 -1.648 -7.638 1.00 . A A . 6 PHE O 1 1 12 6245 1 1 7 GLY C C 2.519 -2.689 -4.630 1.00 . A A . 7 GLY C 1 1 12 6246 1 1 7 GLY CA C 3.656 -3.181 -5.486 1.00 . A A . 7 GLY CA 1 1 12 6247 1 1 7 GLY H H 5.237 -1.815 -5.488 1.00 . A A . 7 GLY H 1 1 12 6248 1 1 7 GLY HA2 H 3.271 -3.714 -6.343 1.00 . A A . 7 GLY HA2 1 1 12 6249 1 1 7 GLY HA3 H 4.290 -3.832 -4.904 1.00 . A A . 7 GLY HA3 1 1 12 6250 1 1 7 GLY N N 4.406 -2.056 -5.950 1.00 . A A . 7 GLY N 1 1 12 6251 1 1 7 GLY O O 2.717 -1.777 -3.830 1.00 . A A . 7 GLY O 1 1 12 6252 1 1 8 ASP C C 0.235 -2.974 -2.637 1.00 . A A . 8 ASP C 1 1 12 6253 1 1 8 ASP CA C 0.120 -2.832 -4.118 1.00 . A A . 8 ASP CA 1 1 12 6254 1 1 8 ASP CB C -1.059 -3.621 -4.620 1.00 . A A . 8 ASP CB 1 1 12 6255 1 1 8 ASP CG C -2.353 -3.360 -3.882 1.00 . A A . 8 ASP CG 1 1 12 6256 1 1 8 ASP H H 1.291 -3.990 -5.465 1.00 . A A . 8 ASP H 1 1 12 6257 1 1 8 ASP HA H -0.051 -1.791 -4.348 1.00 . A A . 8 ASP HA 1 1 12 6258 1 1 8 ASP HB2 H -1.183 -3.279 -5.628 1.00 . A A . 8 ASP HB2 1 1 12 6259 1 1 8 ASP HB3 H -0.824 -4.672 -4.589 1.00 . A A . 8 ASP HB3 1 1 12 6260 1 1 8 ASP N N 1.347 -3.251 -4.825 1.00 . A A . 8 ASP N 1 1 12 6261 1 1 8 ASP O O 0.783 -3.963 -2.133 1.00 . A A . 8 ASP O 1 1 12 6262 1 1 8 ASP OD1 O -2.997 -2.327 -4.136 1.00 . A A . 8 ASP OD1 1 1 12 6263 1 1 8 ASP OD2 O -2.774 -4.218 -3.069 1.00 . A A . 8 ASP OD2 1 1 12 6264 1 1 9 CYS C C -1.422 -1.577 0.146 1.00 . A A . 9 CYS C 1 1 12 6265 1 1 9 CYS CA C -0.160 -2.041 -0.527 1.00 . A A . 9 CYS CA 1 1 12 6266 1 1 9 CYS CB C 1.009 -1.165 -0.129 1.00 . A A . 9 CYS CB 1 1 12 6267 1 1 9 CYS H H -0.794 -1.305 -2.384 1.00 . A A . 9 CYS H 1 1 12 6268 1 1 9 CYS HA H 0.061 -3.053 -0.225 1.00 . A A . 9 CYS HA 1 1 12 6269 1 1 9 CYS HB2 H 1.324 -1.366 0.883 1.00 . A A . 9 CYS HB2 1 1 12 6270 1 1 9 CYS HB3 H 1.774 -1.460 -0.835 1.00 . A A . 9 CYS HB3 1 1 12 6271 1 1 9 CYS N N -0.295 -2.027 -1.936 1.00 . A A . 9 CYS N 1 1 12 6272 1 1 9 CYS O O -2.252 -0.857 -0.456 1.00 . A A . 9 CYS O 1 1 12 6273 1 1 9 CYS SG S 0.736 0.641 -0.351 1.00 . A A . 9 CYS SG 1 1 12 6274 1 1 10 GLU C C -2.115 -0.911 3.397 1.00 . A A . 10 GLU C 1 1 12 6275 1 1 10 GLU CA C -2.689 -1.605 2.184 1.00 . A A . 10 GLU CA 1 1 12 6276 1 1 10 GLU CB C -3.469 -2.821 2.631 1.00 . A A . 10 GLU CB 1 1 12 6277 1 1 10 GLU CD C -4.714 -4.873 2.002 1.00 . A A . 10 GLU CD 1 1 12 6278 1 1 10 GLU CG C -4.033 -3.646 1.501 1.00 . A A . 10 GLU CG 1 1 12 6279 1 1 10 GLU H H -0.962 -2.669 1.740 1.00 . A A . 10 GLU H 1 1 12 6280 1 1 10 GLU HA H -3.333 -0.940 1.629 1.00 . A A . 10 GLU HA 1 1 12 6281 1 1 10 GLU HB2 H -2.812 -3.453 3.211 1.00 . A A . 10 GLU HB2 1 1 12 6282 1 1 10 GLU HB3 H -4.284 -2.497 3.259 1.00 . A A . 10 GLU HB3 1 1 12 6283 1 1 10 GLU HG2 H -4.749 -3.050 0.954 1.00 . A A . 10 GLU HG2 1 1 12 6284 1 1 10 GLU HG3 H -3.227 -3.938 0.843 1.00 . A A . 10 GLU HG3 1 1 12 6285 1 1 10 GLU N N -1.595 -2.015 1.357 1.00 . A A . 10 GLU N 1 1 12 6286 1 1 10 GLU O O -2.620 0.107 3.854 1.00 . A A . 10 GLU O 1 1 12 6287 1 1 10 GLU OE1 O -5.911 -4.812 2.323 1.00 . A A . 10 GLU OE1 1 1 12 6288 1 1 10 GLU OE2 O -4.061 -5.929 2.103 1.00 . A A . 10 GLU OE2 1 1 12 6289 1 1 11 LYS C C 1.130 -0.990 4.737 1.00 . A A . 11 LYS C 1 1 12 6290 1 1 11 LYS CA C -0.346 -1.000 5.040 1.00 . A A . 11 LYS CA 1 1 12 6291 1 1 11 LYS CB C -0.662 -1.933 6.214 1.00 . A A . 11 LYS CB 1 1 12 6292 1 1 11 LYS CD C -0.980 -4.322 6.960 1.00 . A A . 11 LYS CD 1 1 12 6293 1 1 11 LYS CE C -0.745 -5.787 6.601 1.00 . A A . 11 LYS CE 1 1 12 6294 1 1 11 LYS CG C -0.439 -3.404 5.893 1.00 . A A . 11 LYS CG 1 1 12 6295 1 1 11 LYS H H -0.619 -2.248 3.444 1.00 . A A . 11 LYS H 1 1 12 6296 1 1 11 LYS HA H -0.683 -0.002 5.276 1.00 . A A . 11 LYS HA 1 1 12 6297 1 1 11 LYS HB2 H -0.010 -1.674 7.034 1.00 . A A . 11 LYS HB2 1 1 12 6298 1 1 11 LYS HB3 H -1.684 -1.784 6.522 1.00 . A A . 11 LYS HB3 1 1 12 6299 1 1 11 LYS HD2 H -0.484 -4.104 7.894 1.00 . A A . 11 LYS HD2 1 1 12 6300 1 1 11 LYS HD3 H -2.041 -4.153 7.063 1.00 . A A . 11 LYS HD3 1 1 12 6301 1 1 11 LYS HE2 H 0.319 -5.965 6.549 1.00 . A A . 11 LYS HE2 1 1 12 6302 1 1 11 LYS HE3 H -1.168 -6.404 7.381 1.00 . A A . 11 LYS HE3 1 1 12 6303 1 1 11 LYS HG2 H -0.936 -3.632 4.961 1.00 . A A . 11 LYS HG2 1 1 12 6304 1 1 11 LYS HG3 H 0.621 -3.574 5.777 1.00 . A A . 11 LYS HG3 1 1 12 6305 1 1 11 LYS HZ1 H -2.369 -5.937 5.282 1.00 . A A . 11 LYS HZ1 1 1 12 6306 1 1 11 LYS HZ2 H -1.263 -7.197 5.172 1.00 . A A . 11 LYS HZ2 1 1 12 6307 1 1 11 LYS HZ3 H -0.877 -5.727 4.476 1.00 . A A . 11 LYS HZ3 1 1 12 6308 1 1 11 LYS N N -1.031 -1.464 3.884 1.00 . A A . 11 LYS N 1 1 12 6309 1 1 11 LYS NZ N -1.355 -6.168 5.295 1.00 . A A . 11 LYS NZ 1 1 12 6310 1 1 11 LYS O O 1.561 -1.518 3.710 1.00 . A A . 11 LYS O 1 1 12 6311 1 1 12 ASP C C 4.044 -1.652 5.540 1.00 . A A . 12 ASP C 1 1 12 6312 1 1 12 ASP CA C 3.356 -0.332 5.389 1.00 . A A . 12 ASP CA 1 1 12 6313 1 1 12 ASP CB C 4.010 0.704 6.295 1.00 . A A . 12 ASP CB 1 1 12 6314 1 1 12 ASP CG C 3.460 2.075 6.077 1.00 . A A . 12 ASP CG 1 1 12 6315 1 1 12 ASP H H 1.510 -0.153 6.475 1.00 . A A . 12 ASP H 1 1 12 6316 1 1 12 ASP HA H 3.474 -0.019 4.362 1.00 . A A . 12 ASP HA 1 1 12 6317 1 1 12 ASP HB2 H 3.839 0.431 7.326 1.00 . A A . 12 ASP HB2 1 1 12 6318 1 1 12 ASP HB3 H 5.073 0.724 6.104 1.00 . A A . 12 ASP HB3 1 1 12 6319 1 1 12 ASP N N 1.909 -0.460 5.629 1.00 . A A . 12 ASP N 1 1 12 6320 1 1 12 ASP O O 5.160 -1.849 5.046 1.00 . A A . 12 ASP O 1 1 12 6321 1 1 12 ASP OD1 O 2.693 2.566 6.942 1.00 . A A . 12 ASP OD1 1 1 12 6322 1 1 12 ASP OD2 O 3.722 2.679 5.022 1.00 . A A . 12 ASP OD2 1 1 12 6323 1 1 13 GLU C C 3.977 -4.681 5.149 1.00 . A A . 13 GLU C 1 1 12 6324 1 1 13 GLU CA C 3.869 -3.912 6.419 1.00 . A A . 13 GLU CA 1 1 12 6325 1 1 13 GLU CB C 2.964 -4.686 7.321 1.00 . A A . 13 GLU CB 1 1 12 6326 1 1 13 GLU CD C 2.060 -5.022 9.601 1.00 . A A . 13 GLU CD 1 1 12 6327 1 1 13 GLU CG C 2.756 -4.073 8.682 1.00 . A A . 13 GLU CG 1 1 12 6328 1 1 13 GLU H H 2.436 -2.344 6.445 1.00 . A A . 13 GLU H 1 1 12 6329 1 1 13 GLU HA H 4.838 -3.829 6.887 1.00 . A A . 13 GLU HA 1 1 12 6330 1 1 13 GLU HB2 H 2.024 -4.761 6.791 1.00 . A A . 13 GLU HB2 1 1 12 6331 1 1 13 GLU HB3 H 3.361 -5.684 7.425 1.00 . A A . 13 GLU HB3 1 1 12 6332 1 1 13 GLU HG2 H 3.717 -3.820 9.104 1.00 . A A . 13 GLU HG2 1 1 12 6333 1 1 13 GLU HG3 H 2.156 -3.180 8.580 1.00 . A A . 13 GLU HG3 1 1 12 6334 1 1 13 GLU N N 3.344 -2.583 6.165 1.00 . A A . 13 GLU N 1 1 12 6335 1 1 13 GLU O O 4.765 -5.626 5.050 1.00 . A A . 13 GLU O 1 1 12 6336 1 1 13 GLU OE1 O 2.751 -5.753 10.343 1.00 . A A . 13 GLU OE1 1 1 12 6337 1 1 13 GLU OE2 O 0.826 -5.083 9.589 1.00 . A A . 13 GLU OE2 1 1 12 6338 1 1 14 ASP C C 4.430 -4.652 2.176 1.00 . A A . 14 ASP C 1 1 12 6339 1 1 14 ASP CA C 3.159 -4.973 2.922 1.00 . A A . 14 ASP CA 1 1 12 6340 1 1 14 ASP CB C 1.954 -4.584 2.044 1.00 . A A . 14 ASP CB 1 1 12 6341 1 1 14 ASP CG C 0.585 -4.758 2.675 1.00 . A A . 14 ASP CG 1 1 12 6342 1 1 14 ASP H H 2.602 -3.501 4.305 1.00 . A A . 14 ASP H 1 1 12 6343 1 1 14 ASP HA H 3.126 -6.033 3.120 1.00 . A A . 14 ASP HA 1 1 12 6344 1 1 14 ASP HB2 H 2.048 -3.565 1.698 1.00 . A A . 14 ASP HB2 1 1 12 6345 1 1 14 ASP HB3 H 2.009 -5.254 1.204 1.00 . A A . 14 ASP HB3 1 1 12 6346 1 1 14 ASP N N 3.175 -4.287 4.177 1.00 . A A . 14 ASP N 1 1 12 6347 1 1 14 ASP O O 4.960 -5.476 1.469 1.00 . A A . 14 ASP O 1 1 12 6348 1 1 14 ASP OD1 O 0.177 -5.897 2.985 1.00 . A A . 14 ASP OD1 1 1 12 6349 1 1 14 ASP OD2 O -0.125 -3.771 2.827 1.00 . A A . 14 ASP OD2 1 1 12 6350 1 1 15 CYS C C 7.362 -3.381 2.416 1.00 . A A . 15 CYS C 1 1 12 6351 1 1 15 CYS CA C 6.107 -2.999 1.678 1.00 . A A . 15 CYS CA 1 1 12 6352 1 1 15 CYS CB C 6.058 -1.498 1.557 1.00 . A A . 15 CYS CB 1 1 12 6353 1 1 15 CYS H H 4.543 -2.881 3.067 1.00 . A A . 15 CYS H 1 1 12 6354 1 1 15 CYS HA H 6.115 -3.425 0.687 1.00 . A A . 15 CYS HA 1 1 12 6355 1 1 15 CYS HB2 H 6.320 -1.064 2.508 1.00 . A A . 15 CYS HB2 1 1 12 6356 1 1 15 CYS HB3 H 6.797 -1.193 0.832 1.00 . A A . 15 CYS HB3 1 1 12 6357 1 1 15 CYS N N 4.942 -3.465 2.388 1.00 . A A . 15 CYS N 1 1 12 6358 1 1 15 CYS O O 7.343 -3.593 3.628 1.00 . A A . 15 CYS O 1 1 12 6359 1 1 15 CYS SG S 4.449 -0.882 1.002 1.00 . A A . 15 CYS SG 1 1 12 6360 1 1 16 CYS C C 10.256 -2.634 3.150 1.00 . A A . 16 CYS C 1 1 12 6361 1 1 16 CYS CA C 9.736 -3.788 2.248 1.00 . A A . 16 CYS CA 1 1 12 6362 1 1 16 CYS CB C 10.698 -4.079 1.119 1.00 . A A . 16 CYS CB 1 1 12 6363 1 1 16 CYS H H 8.371 -3.394 0.717 1.00 . A A . 16 CYS H 1 1 12 6364 1 1 16 CYS HA H 9.631 -4.676 2.853 1.00 . A A . 16 CYS HA 1 1 12 6365 1 1 16 CYS HB2 H 10.930 -3.167 0.596 1.00 . A A . 16 CYS HB2 1 1 12 6366 1 1 16 CYS HB3 H 11.617 -4.443 1.535 1.00 . A A . 16 CYS HB3 1 1 12 6367 1 1 16 CYS N N 8.439 -3.483 1.691 1.00 . A A . 16 CYS N 1 1 12 6368 1 1 16 CYS O O 9.618 -1.571 3.260 1.00 . A A . 16 CYS O 1 1 12 6369 1 1 16 CYS SG S 10.109 -5.351 -0.056 1.00 . A A . 16 CYS SG 1 1 12 6370 1 1 17 LYS C C 12.266 -0.542 4.231 1.00 . A A . 17 LYS C 1 1 12 6371 1 1 17 LYS CA C 11.984 -1.928 4.763 1.00 . A A . 17 LYS CA 1 1 12 6372 1 1 17 LYS CB C 13.274 -2.500 5.308 1.00 . A A . 17 LYS CB 1 1 12 6373 1 1 17 LYS CD C 12.207 -3.925 7.078 1.00 . A A . 17 LYS CD 1 1 12 6374 1 1 17 LYS CE C 12.225 -5.288 7.747 1.00 . A A . 17 LYS CE 1 1 12 6375 1 1 17 LYS CG C 13.161 -3.878 5.896 1.00 . A A . 17 LYS CG 1 1 12 6376 1 1 17 LYS H H 11.945 -3.617 3.462 1.00 . A A . 17 LYS H 1 1 12 6377 1 1 17 LYS HA H 11.283 -1.849 5.575 1.00 . A A . 17 LYS HA 1 1 12 6378 1 1 17 LYS HB2 H 13.993 -2.550 4.505 1.00 . A A . 17 LYS HB2 1 1 12 6379 1 1 17 LYS HB3 H 13.647 -1.833 6.070 1.00 . A A . 17 LYS HB3 1 1 12 6380 1 1 17 LYS HD2 H 12.493 -3.174 7.798 1.00 . A A . 17 LYS HD2 1 1 12 6381 1 1 17 LYS HD3 H 11.206 -3.722 6.727 1.00 . A A . 17 LYS HD3 1 1 12 6382 1 1 17 LYS HE2 H 11.484 -5.303 8.531 1.00 . A A . 17 LYS HE2 1 1 12 6383 1 1 17 LYS HE3 H 11.983 -6.035 7.006 1.00 . A A . 17 LYS HE3 1 1 12 6384 1 1 17 LYS HG2 H 12.806 -4.549 5.128 1.00 . A A . 17 LYS HG2 1 1 12 6385 1 1 17 LYS HG3 H 14.156 -4.154 6.200 1.00 . A A . 17 LYS HG3 1 1 12 6386 1 1 17 LYS HZ1 H 13.525 -6.528 8.806 1.00 . A A . 17 LYS HZ1 1 1 12 6387 1 1 17 LYS HZ2 H 13.832 -4.875 9.018 1.00 . A A . 17 LYS HZ2 1 1 12 6388 1 1 17 LYS HZ3 H 14.275 -5.641 7.589 1.00 . A A . 17 LYS HZ3 1 1 12 6389 1 1 17 LYS N N 11.420 -2.835 3.740 1.00 . A A . 17 LYS N 1 1 12 6390 1 1 17 LYS NZ N 13.549 -5.603 8.330 1.00 . A A . 17 LYS NZ 1 1 12 6391 1 1 17 LYS O O 11.787 0.454 4.759 1.00 . A A . 17 LYS O 1 1 12 6392 1 1 18 HIS C C 12.310 1.420 1.742 1.00 . A A . 18 HIS C 1 1 12 6393 1 1 18 HIS CA C 13.455 0.773 2.540 1.00 . A A . 18 HIS CA 1 1 12 6394 1 1 18 HIS CB C 14.668 0.542 1.605 1.00 . A A . 18 HIS CB 1 1 12 6395 1 1 18 HIS CD2 C 16.222 -0.937 3.080 1.00 . A A . 18 HIS CD2 1 1 12 6396 1 1 18 HIS CE1 C 18.077 0.161 2.859 1.00 . A A . 18 HIS CE1 1 1 12 6397 1 1 18 HIS CG C 15.952 0.131 2.292 1.00 . A A . 18 HIS CG 1 1 12 6398 1 1 18 HIS H H 13.335 -1.369 2.854 1.00 . A A . 18 HIS H 1 1 12 6399 1 1 18 HIS HA H 13.751 1.453 3.326 1.00 . A A . 18 HIS HA 1 1 12 6400 1 1 18 HIS HB2 H 14.420 -0.235 0.898 1.00 . A A . 18 HIS HB2 1 1 12 6401 1 1 18 HIS HB3 H 14.861 1.454 1.060 1.00 . A A . 18 HIS HB3 1 1 12 6402 1 1 18 HIS HD1 H 17.298 1.641 1.656 1.00 . A A . 18 HIS HD1 1 1 12 6403 1 1 18 HIS HD2 H 15.514 -1.691 3.386 1.00 . A A . 18 HIS HD2 1 1 12 6404 1 1 18 HIS HE1 H 19.109 0.469 2.937 1.00 . A A . 18 HIS HE1 1 1 12 6405 1 1 18 HIS N N 13.034 -0.494 3.185 1.00 . A A . 18 HIS N 1 1 12 6406 1 1 18 HIS ND1 N 17.146 0.813 2.168 1.00 . A A . 18 HIS ND1 1 1 12 6407 1 1 18 HIS NE2 N 17.569 -0.919 3.439 1.00 . A A . 18 HIS NE2 1 1 12 6408 1 1 18 HIS O O 12.518 2.379 0.999 1.00 . A A . 18 HIS O 1 1 12 6409 1 1 19 LEU C C 8.886 1.705 2.223 1.00 . A A . 19 LEU C 1 1 12 6410 1 1 19 LEU CA C 9.962 1.379 1.217 1.00 . A A . 19 LEU CA 1 1 12 6411 1 1 19 LEU CB C 9.461 0.253 0.293 1.00 . A A . 19 LEU CB 1 1 12 6412 1 1 19 LEU CD1 C 9.896 -1.508 -1.400 1.00 . A A . 19 LEU CD1 1 1 12 6413 1 1 19 LEU CD2 C 10.718 0.731 -1.818 1.00 . A A . 19 LEU CD2 1 1 12 6414 1 1 19 LEU CG C 10.446 -0.288 -0.751 1.00 . A A . 19 LEU CG 1 1 12 6415 1 1 19 LEU H H 10.978 0.233 2.615 1.00 . A A . 19 LEU H 1 1 12 6416 1 1 19 LEU HA H 10.152 2.274 0.636 1.00 . A A . 19 LEU HA 1 1 12 6417 1 1 19 LEU HB2 H 9.154 -0.572 0.919 1.00 . A A . 19 LEU HB2 1 1 12 6418 1 1 19 LEU HB3 H 8.586 0.616 -0.226 1.00 . A A . 19 LEU HB3 1 1 12 6419 1 1 19 LEU HD11 H 8.987 -1.251 -1.925 1.00 . A A . 19 LEU HD11 1 1 12 6420 1 1 19 LEU HD12 H 9.682 -2.260 -0.656 1.00 . A A . 19 LEU HD12 1 1 12 6421 1 1 19 LEU HD13 H 10.624 -1.871 -2.109 1.00 . A A . 19 LEU HD13 1 1 12 6422 1 1 19 LEU HD21 H 9.789 1.092 -2.236 1.00 . A A . 19 LEU HD21 1 1 12 6423 1 1 19 LEU HD22 H 11.292 0.257 -2.602 1.00 . A A . 19 LEU HD22 1 1 12 6424 1 1 19 LEU HD23 H 11.288 1.548 -1.406 1.00 . A A . 19 LEU HD23 1 1 12 6425 1 1 19 LEU HG H 11.383 -0.538 -0.278 1.00 . A A . 19 LEU HG 1 1 12 6426 1 1 19 LEU N N 11.121 0.922 1.928 1.00 . A A . 19 LEU N 1 1 12 6427 1 1 19 LEU O O 9.089 1.574 3.434 1.00 . A A . 19 LEU O 1 1 12 6428 1 1 20 GLY C C 5.432 2.432 1.696 1.00 . A A . 20 GLY C 1 1 12 6429 1 1 20 GLY CA C 6.653 2.421 2.542 1.00 . A A . 20 GLY CA 1 1 12 6430 1 1 20 GLY H H 7.684 2.241 0.754 1.00 . A A . 20 GLY H 1 1 12 6431 1 1 20 GLY HA2 H 6.561 1.674 3.317 1.00 . A A . 20 GLY HA2 1 1 12 6432 1 1 20 GLY HA3 H 6.785 3.396 2.986 1.00 . A A . 20 GLY HA3 1 1 12 6433 1 1 20 GLY N N 7.774 2.120 1.728 1.00 . A A . 20 GLY N 1 1 12 6434 1 1 20 GLY O O 5.542 2.475 0.463 1.00 . A A . 20 GLY O 1 1 12 6435 1 1 21 CYS C C 2.542 3.728 1.310 1.00 . A A . 21 CYS C 1 1 12 6436 1 1 21 CYS CA C 3.077 2.337 1.559 1.00 . A A . 21 CYS CA 1 1 12 6437 1 1 21 CYS CB C 2.048 1.469 2.298 1.00 . A A . 21 CYS CB 1 1 12 6438 1 1 21 CYS H H 4.237 2.446 3.288 1.00 . A A . 21 CYS H 1 1 12 6439 1 1 21 CYS HA H 3.294 1.875 0.607 1.00 . A A . 21 CYS HA 1 1 12 6440 1 1 21 CYS HB2 H 2.429 0.460 2.368 1.00 . A A . 21 CYS HB2 1 1 12 6441 1 1 21 CYS HB3 H 1.919 1.860 3.296 1.00 . A A . 21 CYS HB3 1 1 12 6442 1 1 21 CYS N N 4.295 2.400 2.302 1.00 . A A . 21 CYS N 1 1 12 6443 1 1 21 CYS O O 2.401 4.539 2.235 1.00 . A A . 21 CYS O 1 1 12 6444 1 1 21 CYS SG S 0.392 1.364 1.522 1.00 . A A . 21 CYS SG 1 1 12 6445 1 1 22 LYS C C 0.264 5.057 -0.544 1.00 . A A . 22 LYS C 1 1 12 6446 1 1 22 LYS CA C 1.692 5.271 -0.260 1.00 . A A . 22 LYS CA 1 1 12 6447 1 1 22 LYS CB C 2.381 5.996 -1.395 1.00 . A A . 22 LYS CB 1 1 12 6448 1 1 22 LYS CD C 3.326 7.838 -0.001 1.00 . A A . 22 LYS CD 1 1 12 6449 1 1 22 LYS CE C 4.598 8.580 0.413 1.00 . A A . 22 LYS CE 1 1 12 6450 1 1 22 LYS CG C 3.634 6.686 -0.955 1.00 . A A . 22 LYS CG 1 1 12 6451 1 1 22 LYS H H 2.578 3.421 -0.634 1.00 . A A . 22 LYS H 1 1 12 6452 1 1 22 LYS HA H 1.745 5.887 0.624 1.00 . A A . 22 LYS HA 1 1 12 6453 1 1 22 LYS HB2 H 2.632 5.280 -2.165 1.00 . A A . 22 LYS HB2 1 1 12 6454 1 1 22 LYS HB3 H 1.707 6.733 -1.803 1.00 . A A . 22 LYS HB3 1 1 12 6455 1 1 22 LYS HD2 H 2.639 8.517 -0.484 1.00 . A A . 22 LYS HD2 1 1 12 6456 1 1 22 LYS HD3 H 2.836 7.444 0.881 1.00 . A A . 22 LYS HD3 1 1 12 6457 1 1 22 LYS HE2 H 4.325 9.381 1.084 1.00 . A A . 22 LYS HE2 1 1 12 6458 1 1 22 LYS HE3 H 5.245 7.889 0.933 1.00 . A A . 22 LYS HE3 1 1 12 6459 1 1 22 LYS HG2 H 4.169 5.935 -0.400 1.00 . A A . 22 LYS HG2 1 1 12 6460 1 1 22 LYS HG3 H 4.210 7.031 -1.800 1.00 . A A . 22 LYS HG3 1 1 12 6461 1 1 22 LYS HZ1 H 6.190 9.657 -0.408 1.00 . A A . 22 LYS HZ1 1 1 12 6462 1 1 22 LYS HZ2 H 4.745 9.837 -1.270 1.00 . A A . 22 LYS HZ2 1 1 12 6463 1 1 22 LYS HZ3 H 5.631 8.435 -1.423 1.00 . A A . 22 LYS HZ3 1 1 12 6464 1 1 22 LYS N N 2.318 4.042 0.082 1.00 . A A . 22 LYS N 1 1 12 6465 1 1 22 LYS NZ N 5.335 9.163 -0.741 1.00 . A A . 22 LYS NZ 1 1 12 6466 1 1 22 LYS O O -0.099 4.471 -1.557 1.00 . A A . 22 LYS O 1 1 12 6467 1 1 23 ARG C C -2.576 6.296 -0.820 1.00 . A A . 23 ARG C 1 1 12 6468 1 1 23 ARG CA C -1.988 5.463 0.287 1.00 . A A . 23 ARG CA 1 1 12 6469 1 1 23 ARG CB C -2.632 5.873 1.619 1.00 . A A . 23 ARG CB 1 1 12 6470 1 1 23 ARG CD C -1.012 4.813 3.300 1.00 . A A . 23 ARG CD 1 1 12 6471 1 1 23 ARG CG C -2.436 4.926 2.800 1.00 . A A . 23 ARG CG 1 1 12 6472 1 1 23 ARG CZ C 0.183 3.579 5.109 1.00 . A A . 23 ARG CZ 1 1 12 6473 1 1 23 ARG H H -0.149 6.141 1.042 1.00 . A A . 23 ARG H 1 1 12 6474 1 1 23 ARG HA H -2.218 4.430 0.094 1.00 . A A . 23 ARG HA 1 1 12 6475 1 1 23 ARG HB2 H -2.227 6.830 1.908 1.00 . A A . 23 ARG HB2 1 1 12 6476 1 1 23 ARG HB3 H -3.693 5.991 1.455 1.00 . A A . 23 ARG HB3 1 1 12 6477 1 1 23 ARG HD2 H -0.400 4.385 2.519 1.00 . A A . 23 ARG HD2 1 1 12 6478 1 1 23 ARG HD3 H -0.646 5.798 3.549 1.00 . A A . 23 ARG HD3 1 1 12 6479 1 1 23 ARG HE H -1.810 3.677 4.862 1.00 . A A . 23 ARG HE 1 1 12 6480 1 1 23 ARG HG2 H -3.021 5.297 3.623 1.00 . A A . 23 ARG HG2 1 1 12 6481 1 1 23 ARG HG3 H -2.771 3.948 2.495 1.00 . A A . 23 ARG HG3 1 1 12 6482 1 1 23 ARG HH11 H 1.457 4.406 3.744 1.00 . A A . 23 ARG HH11 1 1 12 6483 1 1 23 ARG HH12 H 2.217 3.575 5.017 1.00 . A A . 23 ARG HH12 1 1 12 6484 1 1 23 ARG HH21 H -0.733 2.572 6.651 1.00 . A A . 23 ARG HH21 1 1 12 6485 1 1 23 ARG HH22 H 0.991 2.599 6.690 1.00 . A A . 23 ARG HH22 1 1 12 6486 1 1 23 ARG N N -0.544 5.593 0.328 1.00 . A A . 23 ARG N 1 1 12 6487 1 1 23 ARG NE N -0.939 3.959 4.496 1.00 . A A . 23 ARG NE 1 1 12 6488 1 1 23 ARG NH1 N 1.349 3.884 4.595 1.00 . A A . 23 ARG NH1 1 1 12 6489 1 1 23 ARG NH2 N 0.132 2.863 6.225 1.00 . A A . 23 ARG NH2 1 1 12 6490 1 1 23 ARG O O -3.738 6.144 -1.181 1.00 . A A . 23 ARG O 1 1 12 6491 1 1 24 LYS C C -2.190 7.263 -3.722 1.00 . A A . 24 LYS C 1 1 12 6492 1 1 24 LYS CA C -2.254 8.006 -2.432 1.00 . A A . 24 LYS CA 1 1 12 6493 1 1 24 LYS CB C -1.437 9.302 -2.523 1.00 . A A . 24 LYS CB 1 1 12 6494 1 1 24 LYS CD C -0.740 11.474 -1.468 1.00 . A A . 24 LYS CD 1 1 12 6495 1 1 24 LYS CE C -0.838 12.354 -0.235 1.00 . A A . 24 LYS CE 1 1 12 6496 1 1 24 LYS CG C -1.515 10.179 -1.285 1.00 . A A . 24 LYS CG 1 1 12 6497 1 1 24 LYS H H -0.816 7.125 -1.142 1.00 . A A . 24 LYS H 1 1 12 6498 1 1 24 LYS HA H -3.284 8.245 -2.213 1.00 . A A . 24 LYS HA 1 1 12 6499 1 1 24 LYS HB2 H -0.401 9.045 -2.688 1.00 . A A . 24 LYS HB2 1 1 12 6500 1 1 24 LYS HB3 H -1.791 9.875 -3.368 1.00 . A A . 24 LYS HB3 1 1 12 6501 1 1 24 LYS HD2 H 0.300 11.239 -1.645 1.00 . A A . 24 LYS HD2 1 1 12 6502 1 1 24 LYS HD3 H -1.139 12.008 -2.317 1.00 . A A . 24 LYS HD3 1 1 12 6503 1 1 24 LYS HE2 H -1.882 12.526 -0.017 1.00 . A A . 24 LYS HE2 1 1 12 6504 1 1 24 LYS HE3 H -0.381 11.839 0.596 1.00 . A A . 24 LYS HE3 1 1 12 6505 1 1 24 LYS HG2 H -2.550 10.415 -1.088 1.00 . A A . 24 LYS HG2 1 1 12 6506 1 1 24 LYS HG3 H -1.104 9.637 -0.447 1.00 . A A . 24 LYS HG3 1 1 12 6507 1 1 24 LYS HZ1 H 0.829 13.546 -0.694 1.00 . A A . 24 LYS HZ1 1 1 12 6508 1 1 24 LYS HZ2 H -0.183 14.193 0.466 1.00 . A A . 24 LYS HZ2 1 1 12 6509 1 1 24 LYS HZ3 H -0.649 14.238 -1.143 1.00 . A A . 24 LYS HZ3 1 1 12 6510 1 1 24 LYS N N -1.767 7.140 -1.396 1.00 . A A . 24 LYS N 1 1 12 6511 1 1 24 LYS NZ N -0.168 13.658 -0.426 1.00 . A A . 24 LYS NZ 1 1 12 6512 1 1 24 LYS O O -3.043 7.411 -4.594 1.00 . A A . 24 LYS O 1 1 12 6513 1 1 25 MET C C -1.308 4.186 -4.862 1.00 . A A . 25 MET C 1 1 12 6514 1 1 25 MET CA C -0.942 5.671 -4.997 1.00 . A A . 25 MET CA 1 1 12 6515 1 1 25 MET CB C 0.537 5.847 -5.332 1.00 . A A . 25 MET CB 1 1 12 6516 1 1 25 MET CE C 0.330 7.712 -8.012 1.00 . A A . 25 MET CE 1 1 12 6517 1 1 25 MET CG C 1.025 7.305 -5.340 1.00 . A A . 25 MET CG 1 1 12 6518 1 1 25 MET H H -0.695 6.188 -2.989 1.00 . A A . 25 MET H 1 1 12 6519 1 1 25 MET HA H -1.528 6.113 -5.790 1.00 . A A . 25 MET HA 1 1 12 6520 1 1 25 MET HB2 H 1.146 5.282 -4.641 1.00 . A A . 25 MET HB2 1 1 12 6521 1 1 25 MET HB3 H 0.689 5.442 -6.314 1.00 . A A . 25 MET HB3 1 1 12 6522 1 1 25 MET HE1 H -0.213 8.282 -8.752 1.00 . A A . 25 MET HE1 1 1 12 6523 1 1 25 MET HE2 H -0.004 6.685 -8.031 1.00 . A A . 25 MET HE2 1 1 12 6524 1 1 25 MET HE3 H 1.386 7.751 -8.232 1.00 . A A . 25 MET HE3 1 1 12 6525 1 1 25 MET HG2 H 0.988 7.683 -4.329 1.00 . A A . 25 MET HG2 1 1 12 6526 1 1 25 MET HG3 H 2.047 7.321 -5.685 1.00 . A A . 25 MET HG3 1 1 12 6527 1 1 25 MET N N -1.228 6.377 -3.789 1.00 . A A . 25 MET N 1 1 12 6528 1 1 25 MET O O -1.322 3.448 -5.837 1.00 . A A . 25 MET O 1 1 12 6529 1 1 25 MET SD S 0.037 8.409 -6.390 1.00 . A A . 25 MET SD 1 1 12 6530 1 1 26 LYS C C -0.893 1.422 -3.523 1.00 . A A . 26 LYS C 1 1 12 6531 1 1 26 LYS CA C -1.994 2.395 -3.226 1.00 . A A . 26 LYS CA 1 1 12 6532 1 1 26 LYS CB C -3.324 1.919 -3.853 1.00 . A A . 26 LYS CB 1 1 12 6533 1 1 26 LYS CD C -4.532 4.115 -4.065 1.00 . A A . 26 LYS CD 1 1 12 6534 1 1 26 LYS CE C -5.663 4.977 -3.557 1.00 . A A . 26 LYS CE 1 1 12 6535 1 1 26 LYS CG C -4.554 2.738 -3.449 1.00 . A A . 26 LYS CG 1 1 12 6536 1 1 26 LYS H H -1.532 4.426 -2.889 1.00 . A A . 26 LYS H 1 1 12 6537 1 1 26 LYS HA H -2.102 2.420 -2.152 1.00 . A A . 26 LYS HA 1 1 12 6538 1 1 26 LYS HB2 H -3.218 1.917 -4.926 1.00 . A A . 26 LYS HB2 1 1 12 6539 1 1 26 LYS HB3 H -3.484 0.898 -3.540 1.00 . A A . 26 LYS HB3 1 1 12 6540 1 1 26 LYS HD2 H -3.572 4.545 -3.810 1.00 . A A . 26 LYS HD2 1 1 12 6541 1 1 26 LYS HD3 H -4.591 4.014 -5.138 1.00 . A A . 26 LYS HD3 1 1 12 6542 1 1 26 LYS HE2 H -6.597 4.465 -3.726 1.00 . A A . 26 LYS HE2 1 1 12 6543 1 1 26 LYS HE3 H -5.528 5.140 -2.498 1.00 . A A . 26 LYS HE3 1 1 12 6544 1 1 26 LYS HG2 H -5.450 2.228 -3.770 1.00 . A A . 26 LYS HG2 1 1 12 6545 1 1 26 LYS HG3 H -4.560 2.836 -2.373 1.00 . A A . 26 LYS HG3 1 1 12 6546 1 1 26 LYS HZ1 H -4.792 6.784 -4.181 1.00 . A A . 26 LYS HZ1 1 1 12 6547 1 1 26 LYS HZ2 H -6.428 6.890 -3.827 1.00 . A A . 26 LYS HZ2 1 1 12 6548 1 1 26 LYS HZ3 H -5.931 6.148 -5.248 1.00 . A A . 26 LYS HZ3 1 1 12 6549 1 1 26 LYS N N -1.601 3.777 -3.619 1.00 . A A . 26 LYS N 1 1 12 6550 1 1 26 LYS NZ N -5.700 6.278 -4.243 1.00 . A A . 26 LYS NZ 1 1 12 6551 1 1 26 LYS O O -1.111 0.215 -3.659 1.00 . A A . 26 LYS O 1 1 12 6552 1 1 27 TYR C C 2.619 1.538 -2.957 1.00 . A A . 27 TYR C 1 1 12 6553 1 1 27 TYR CA C 1.449 1.117 -3.792 1.00 . A A . 27 TYR CA 1 1 12 6554 1 1 27 TYR CB C 1.838 1.000 -5.299 1.00 . A A . 27 TYR CB 1 1 12 6555 1 1 27 TYR CD1 C 3.319 3.050 -5.630 1.00 . A A . 27 TYR CD1 1 1 12 6556 1 1 27 TYR CD2 C 1.572 2.657 -7.194 1.00 . A A . 27 TYR CD2 1 1 12 6557 1 1 27 TYR CE1 C 3.713 4.164 -6.331 1.00 . A A . 27 TYR CE1 1 1 12 6558 1 1 27 TYR CE2 C 1.955 3.778 -7.902 1.00 . A A . 27 TYR CE2 1 1 12 6559 1 1 27 TYR CG C 2.240 2.274 -6.043 1.00 . A A . 27 TYR CG 1 1 12 6560 1 1 27 TYR CZ C 3.027 4.529 -7.465 1.00 . A A . 27 TYR CZ 1 1 12 6561 1 1 27 TYR H H 0.349 2.892 -3.309 1.00 . A A . 27 TYR H 1 1 12 6562 1 1 27 TYR HA H 1.175 0.131 -3.442 1.00 . A A . 27 TYR HA 1 1 12 6563 1 1 27 TYR HB2 H 2.686 0.336 -5.365 1.00 . A A . 27 TYR HB2 1 1 12 6564 1 1 27 TYR HB3 H 1.022 0.539 -5.833 1.00 . A A . 27 TYR HB3 1 1 12 6565 1 1 27 TYR HD1 H 3.852 2.766 -4.734 1.00 . A A . 27 TYR HD1 1 1 12 6566 1 1 27 TYR HD2 H 0.734 2.068 -7.536 1.00 . A A . 27 TYR HD2 1 1 12 6567 1 1 27 TYR HE1 H 4.554 4.741 -5.978 1.00 . A A . 27 TYR HE1 1 1 12 6568 1 1 27 TYR HE2 H 1.414 4.063 -8.791 1.00 . A A . 27 TYR HE2 1 1 12 6569 1 1 27 TYR HH H 2.649 6.012 -8.607 1.00 . A A . 27 TYR HH 1 1 12 6570 1 1 27 TYR N N 0.293 1.936 -3.536 1.00 . A A . 27 TYR N 1 1 12 6571 1 1 27 TYR O O 2.625 2.635 -2.371 1.00 . A A . 27 TYR O 1 1 12 6572 1 1 27 TYR OH O 3.429 5.634 -8.180 1.00 . A A . 27 TYR OH 1 1 12 6573 1 1 28 CYS C C 5.705 1.833 -2.914 1.00 . A A . 28 CYS C 1 1 12 6574 1 1 28 CYS CA C 4.764 0.936 -2.155 1.00 . A A . 28 CYS CA 1 1 12 6575 1 1 28 CYS CB C 5.435 -0.379 -1.807 1.00 . A A . 28 CYS CB 1 1 12 6576 1 1 28 CYS H H 3.522 -0.151 -3.411 1.00 . A A . 28 CYS H 1 1 12 6577 1 1 28 CYS HA H 4.475 1.424 -1.237 1.00 . A A . 28 CYS HA 1 1 12 6578 1 1 28 CYS HB2 H 5.752 -0.867 -2.717 1.00 . A A . 28 CYS HB2 1 1 12 6579 1 1 28 CYS HB3 H 6.298 -0.185 -1.187 1.00 . A A . 28 CYS HB3 1 1 12 6580 1 1 28 CYS N N 3.595 0.695 -2.913 1.00 . A A . 28 CYS N 1 1 12 6581 1 1 28 CYS O O 5.971 1.626 -4.106 1.00 . A A . 28 CYS O 1 1 12 6582 1 1 28 CYS SG S 4.350 -1.523 -0.907 1.00 . A A . 28 CYS SG 1 1 12 6583 1 1 29 ALA C C 8.326 3.628 -1.874 1.00 . A A . 29 ALA C 1 1 12 6584 1 1 29 ALA CA C 7.117 3.751 -2.764 1.00 . A A . 29 ALA CA 1 1 12 6585 1 1 29 ALA CB C 6.540 5.155 -2.714 1.00 . A A . 29 ALA CB 1 1 12 6586 1 1 29 ALA H H 5.875 2.930 -1.309 1.00 . A A . 29 ALA H 1 1 12 6587 1 1 29 ALA HA H 7.355 3.483 -3.781 1.00 . A A . 29 ALA HA 1 1 12 6588 1 1 29 ALA HB1 H 7.272 5.860 -3.073 1.00 . A A . 29 ALA HB1 1 1 12 6589 1 1 29 ALA HB2 H 6.276 5.399 -1.695 1.00 . A A . 29 ALA HB2 1 1 12 6590 1 1 29 ALA HB3 H 5.657 5.204 -3.335 1.00 . A A . 29 ALA HB3 1 1 12 6591 1 1 29 ALA N N 6.165 2.827 -2.246 1.00 . A A . 29 ALA N 1 1 12 6592 1 1 29 ALA O O 8.300 2.818 -0.962 1.00 . A A . 29 ALA O 1 1 12 6593 1 1 30 TRP C C 10.301 5.120 0.097 1.00 . A A . 30 TRP C 1 1 12 6594 1 1 30 TRP CA C 10.546 4.368 -1.199 1.00 . A A . 30 TRP CA 1 1 12 6595 1 1 30 TRP CB C 11.775 4.976 -1.894 1.00 . A A . 30 TRP CB 1 1 12 6596 1 1 30 TRP CD1 C 11.993 4.503 -4.374 1.00 . A A . 30 TRP CD1 1 1 12 6597 1 1 30 TRP CD2 C 13.068 3.082 -3.078 1.00 . A A . 30 TRP CD2 1 1 12 6598 1 1 30 TRP CE2 C 13.277 2.689 -4.399 1.00 . A A . 30 TRP CE2 1 1 12 6599 1 1 30 TRP CE3 C 13.632 2.364 -2.069 1.00 . A A . 30 TRP CE3 1 1 12 6600 1 1 30 TRP CG C 12.246 4.227 -3.088 1.00 . A A . 30 TRP CG 1 1 12 6601 1 1 30 TRP CH2 C 14.607 0.878 -3.700 1.00 . A A . 30 TRP CH2 1 1 12 6602 1 1 30 TRP CZ2 C 14.048 1.580 -4.731 1.00 . A A . 30 TRP CZ2 1 1 12 6603 1 1 30 TRP CZ3 C 14.402 1.262 -2.371 1.00 . A A . 30 TRP CZ3 1 1 12 6604 1 1 30 TRP H H 9.322 5.108 -2.776 1.00 . A A . 30 TRP H 1 1 12 6605 1 1 30 TRP HA H 10.743 3.333 -0.977 1.00 . A A . 30 TRP HA 1 1 12 6606 1 1 30 TRP HB2 H 11.559 5.985 -2.203 1.00 . A A . 30 TRP HB2 1 1 12 6607 1 1 30 TRP HB3 H 12.586 5.005 -1.181 1.00 . A A . 30 TRP HB3 1 1 12 6608 1 1 30 TRP HD1 H 11.380 5.335 -4.686 1.00 . A A . 30 TRP HD1 1 1 12 6609 1 1 30 TRP HE1 H 12.561 3.561 -6.164 1.00 . A A . 30 TRP HE1 1 1 12 6610 1 1 30 TRP HE3 H 13.422 2.712 -1.070 1.00 . A A . 30 TRP HE3 1 1 12 6611 1 1 30 TRP HH2 H 15.216 0.009 -3.900 1.00 . A A . 30 TRP HH2 1 1 12 6612 1 1 30 TRP HZ2 H 14.208 1.274 -5.753 1.00 . A A . 30 TRP HZ2 1 1 12 6613 1 1 30 TRP HZ3 H 14.857 0.686 -1.579 1.00 . A A . 30 TRP HZ3 1 1 12 6614 1 1 30 TRP N N 9.349 4.431 -2.064 1.00 . A A . 30 TRP N 1 1 12 6615 1 1 30 TRP NE1 N 12.606 3.575 -5.184 1.00 . A A . 30 TRP NE1 1 1 12 6616 1 1 30 TRP O O 11.240 5.452 0.837 1.00 . A A . 30 TRP O 1 1 12 6617 1 1 31 ASP C C 7.275 5.850 1.914 1.00 . A A . 31 ASP C 1 1 12 6618 1 1 31 ASP CA C 8.675 6.171 1.461 1.00 . A A . 31 ASP CA 1 1 12 6619 1 1 31 ASP CB C 8.750 7.573 0.937 1.00 . A A . 31 ASP CB 1 1 12 6620 1 1 31 ASP CG C 8.388 8.616 1.947 1.00 . A A . 31 ASP CG 1 1 12 6621 1 1 31 ASP H H 8.334 4.875 -0.076 1.00 . A A . 31 ASP H 1 1 12 6622 1 1 31 ASP HA H 9.378 6.076 2.272 1.00 . A A . 31 ASP HA 1 1 12 6623 1 1 31 ASP HB2 H 9.772 7.689 0.611 1.00 . A A . 31 ASP HB2 1 1 12 6624 1 1 31 ASP HB3 H 8.097 7.623 0.080 1.00 . A A . 31 ASP HB3 1 1 12 6625 1 1 31 ASP N N 9.053 5.327 0.408 1.00 . A A . 31 ASP N 1 1 12 6626 1 1 31 ASP O O 6.384 5.619 1.092 1.00 . A A . 31 ASP O 1 1 12 6627 1 1 31 ASP OD1 O 7.385 9.317 1.775 1.00 . A A . 31 ASP OD1 1 1 12 6628 1 1 31 ASP OD2 O 9.121 8.758 2.948 1.00 . A A . 31 ASP OD2 1 1 12 6629 1 1 32 PHE C C 5.011 6.818 3.897 1.00 . A A . 32 PHE C 1 1 12 6630 1 1 32 PHE CA C 5.810 5.524 3.828 1.00 . A A . 32 PHE CA 1 1 12 6631 1 1 32 PHE CB C 5.977 4.914 5.244 1.00 . A A . 32 PHE CB 1 1 12 6632 1 1 32 PHE CD1 C 7.995 5.741 6.510 1.00 . A A . 32 PHE CD1 1 1 12 6633 1 1 32 PHE CD2 C 5.878 6.713 7.033 1.00 . A A . 32 PHE CD2 1 1 12 6634 1 1 32 PHE CE1 C 8.593 6.542 7.463 1.00 . A A . 32 PHE CE1 1 1 12 6635 1 1 32 PHE CE2 C 6.475 7.516 7.983 1.00 . A A . 32 PHE CE2 1 1 12 6636 1 1 32 PHE CG C 6.634 5.812 6.280 1.00 . A A . 32 PHE CG 1 1 12 6637 1 1 32 PHE CZ C 7.833 7.428 8.200 1.00 . A A . 32 PHE CZ 1 1 12 6638 1 1 32 PHE H H 7.912 5.899 3.749 1.00 . A A . 32 PHE H 1 1 12 6639 1 1 32 PHE HA H 5.263 4.831 3.202 1.00 . A A . 32 PHE HA 1 1 12 6640 1 1 32 PHE HB2 H 5.003 4.646 5.625 1.00 . A A . 32 PHE HB2 1 1 12 6641 1 1 32 PHE HB3 H 6.569 4.014 5.163 1.00 . A A . 32 PHE HB3 1 1 12 6642 1 1 32 PHE HD1 H 8.589 5.048 5.933 1.00 . A A . 32 PHE HD1 1 1 12 6643 1 1 32 PHE HD2 H 4.812 6.796 6.858 1.00 . A A . 32 PHE HD2 1 1 12 6644 1 1 32 PHE HE1 H 9.658 6.476 7.633 1.00 . A A . 32 PHE HE1 1 1 12 6645 1 1 32 PHE HE2 H 5.878 8.208 8.557 1.00 . A A . 32 PHE HE2 1 1 12 6646 1 1 32 PHE HZ H 8.301 8.054 8.945 1.00 . A A . 32 PHE HZ 1 1 12 6647 1 1 32 PHE N N 7.108 5.778 3.206 1.00 . A A . 32 PHE N 1 1 12 6648 1 1 32 PHE O O 5.451 7.851 3.414 1.00 . A A . 32 PHE O 1 1 12 6649 1 1 33 THR C C 3.296 8.745 5.890 1.00 . A A . 33 THR C 1 1 12 6650 1 1 33 THR CA C 3.057 7.939 4.601 1.00 . A A . 33 THR CA 1 1 12 6651 1 1 33 THR CB C 1.594 7.552 4.470 1.00 . A A . 33 THR CB 1 1 12 6652 1 1 33 THR CG2 C 0.711 8.773 4.569 1.00 . A A . 33 THR CG2 1 1 12 6653 1 1 33 THR H H 3.602 5.976 5.019 1.00 . A A . 33 THR H 1 1 12 6654 1 1 33 THR HA H 3.311 8.565 3.759 1.00 . A A . 33 THR HA 1 1 12 6655 1 1 33 THR HB H 1.354 6.866 5.269 1.00 . A A . 33 THR HB 1 1 12 6656 1 1 33 THR HG1 H 2.194 6.388 3.007 1.00 . A A . 33 THR HG1 1 1 12 6657 1 1 33 THR HG21 H -0.329 8.491 4.509 1.00 . A A . 33 THR HG21 1 1 12 6658 1 1 33 THR HG22 H 0.970 9.461 3.777 1.00 . A A . 33 THR HG22 1 1 12 6659 1 1 33 THR HG23 H 0.921 9.222 5.528 1.00 . A A . 33 THR HG23 1 1 12 6660 1 1 33 THR N N 3.882 6.781 4.528 1.00 . A A . 33 THR N 1 1 12 6661 1 1 33 THR O O 2.908 8.336 6.989 1.00 . A A . 33 THR O 1 1 12 6662 1 1 33 THR OG1 O 1.400 6.906 3.196 1.00 . A A . 33 THR OG1 1 1 12 6663 1 1 34 PHE C C 3.472 12.080 6.537 1.00 . A A . 34 PHE C 1 1 12 6664 1 1 34 PHE CA C 4.195 10.776 6.827 1.00 . A A . 34 PHE CA 1 1 12 6665 1 1 34 PHE CB C 5.708 11.008 6.985 1.00 . A A . 34 PHE CB 1 1 12 6666 1 1 34 PHE CD1 C 6.447 13.273 7.805 1.00 . A A . 34 PHE CD1 1 1 12 6667 1 1 34 PHE CD2 C 6.190 11.526 9.401 1.00 . A A . 34 PHE CD2 1 1 12 6668 1 1 34 PHE CE1 C 6.838 14.139 8.803 1.00 . A A . 34 PHE CE1 1 1 12 6669 1 1 34 PHE CE2 C 6.579 12.393 10.406 1.00 . A A . 34 PHE CE2 1 1 12 6670 1 1 34 PHE CG C 6.117 11.956 8.089 1.00 . A A . 34 PHE CG 1 1 12 6671 1 1 34 PHE CZ C 6.904 13.698 10.106 1.00 . A A . 34 PHE CZ 1 1 12 6672 1 1 34 PHE H H 4.278 10.097 4.841 1.00 . A A . 34 PHE H 1 1 12 6673 1 1 34 PHE HA H 3.799 10.340 7.732 1.00 . A A . 34 PHE HA 1 1 12 6674 1 1 34 PHE HB2 H 6.182 10.060 7.188 1.00 . A A . 34 PHE HB2 1 1 12 6675 1 1 34 PHE HB3 H 6.093 11.395 6.053 1.00 . A A . 34 PHE HB3 1 1 12 6676 1 1 34 PHE HD1 H 6.393 13.624 6.785 1.00 . A A . 34 PHE HD1 1 1 12 6677 1 1 34 PHE HD2 H 5.936 10.504 9.640 1.00 . A A . 34 PHE HD2 1 1 12 6678 1 1 34 PHE HE1 H 7.093 15.161 8.564 1.00 . A A . 34 PHE HE1 1 1 12 6679 1 1 34 PHE HE2 H 6.632 12.053 11.429 1.00 . A A . 34 PHE HE2 1 1 12 6680 1 1 34 PHE HZ H 7.209 14.374 10.890 1.00 . A A . 34 PHE HZ 1 1 12 6681 1 1 34 PHE N N 3.946 9.866 5.736 1.00 . A A . 34 PHE N 1 1 12 6682 1 1 34 PHE O O 3.926 12.882 5.709 1.00 . A A . 34 PHE O 1 1 12 6683 1 1 35 THR C C 0.610 13.638 8.191 1.00 . A A . 35 THR C 1 1 12 6684 1 1 35 THR CA C 1.508 13.448 6.965 1.00 . A A . 35 THR CA 1 1 12 6685 1 1 35 THR CB C 0.625 13.373 5.689 1.00 . A A . 35 THR CB 1 1 12 6686 1 1 35 THR CG2 C -0.112 14.688 5.466 1.00 . A A . 35 THR CG2 1 1 12 6687 1 1 35 THR H H 1.959 11.550 7.724 1.00 . A A . 35 THR H 1 1 12 6688 1 1 35 THR HA H 2.179 14.290 6.883 1.00 . A A . 35 THR HA 1 1 12 6689 1 1 35 THR HB H -0.093 12.575 5.803 1.00 . A A . 35 THR HB 1 1 12 6690 1 1 35 THR HG1 H 2.370 13.093 4.869 1.00 . A A . 35 THR HG1 1 1 12 6691 1 1 35 THR HG21 H -0.730 14.905 6.325 1.00 . A A . 35 THR HG21 1 1 12 6692 1 1 35 THR HG22 H -0.733 14.608 4.587 1.00 . A A . 35 THR HG22 1 1 12 6693 1 1 35 THR HG23 H 0.605 15.485 5.328 1.00 . A A . 35 THR HG23 1 1 12 6694 1 1 35 THR N N 2.314 12.247 7.129 1.00 . A A . 35 THR N 1 1 12 6695 1 1 35 THR O O 0.606 12.782 9.102 1.00 . A A . 35 THR O 1 1 12 6696 1 1 35 THR OG1 O 1.456 13.114 4.544 1.00 . A A . 35 THR OG1 1 1 13 6697 1 1 1 ASP C C 6.689 -10.238 0.658 1.00 . A A . 1 ASP C 1 1 13 6698 1 1 1 ASP CA C 7.212 -11.638 0.717 1.00 . A A . 1 ASP CA 1 1 13 6699 1 1 1 ASP CB C 7.466 -12.138 -0.710 1.00 . A A . 1 ASP CB 1 1 13 6700 1 1 1 ASP CG C 8.068 -13.513 -0.758 1.00 . A A . 1 ASP CG 1 1 13 6701 1 1 1 ASP H1 H 6.532 -13.473 1.469 1.00 . A A . 1 ASP H1 1 1 13 6702 1 1 1 ASP H2 H 5.301 -12.411 0.948 1.00 . A A . 1 ASP H2 1 1 13 6703 1 1 1 ASP H3 H 6.093 -12.119 2.372 1.00 . A A . 1 ASP H3 1 1 13 6704 1 1 1 ASP HA H 8.135 -11.655 1.277 1.00 . A A . 1 ASP HA 1 1 13 6705 1 1 1 ASP HB2 H 6.527 -12.165 -1.245 1.00 . A A . 1 ASP HB2 1 1 13 6706 1 1 1 ASP HB3 H 8.133 -11.451 -1.210 1.00 . A A . 1 ASP HB3 1 1 13 6707 1 1 1 ASP N N 6.232 -12.481 1.406 1.00 . A A . 1 ASP N 1 1 13 6708 1 1 1 ASP O O 5.489 -10.040 0.483 1.00 . A A . 1 ASP O 1 1 13 6709 1 1 1 ASP OD1 O 9.305 -13.632 -0.874 1.00 . A A . 1 ASP OD1 1 1 13 6710 1 1 1 ASP OD2 O 7.313 -14.508 -0.688 1.00 . A A . 1 ASP OD2 1 1 13 6711 1 1 2 CYS C C 7.080 -7.378 -0.654 1.00 . A A . 2 CYS C 1 1 13 6712 1 1 2 CYS CA C 7.142 -7.900 0.747 1.00 . A A . 2 CYS CA 1 1 13 6713 1 1 2 CYS CB C 8.049 -7.036 1.586 1.00 . A A . 2 CYS CB 1 1 13 6714 1 1 2 CYS H H 8.516 -9.439 0.903 1.00 . A A . 2 CYS H 1 1 13 6715 1 1 2 CYS HA H 6.146 -7.817 1.152 1.00 . A A . 2 CYS HA 1 1 13 6716 1 1 2 CYS HB2 H 7.771 -6.016 1.375 1.00 . A A . 2 CYS HB2 1 1 13 6717 1 1 2 CYS HB3 H 7.873 -7.232 2.627 1.00 . A A . 2 CYS HB3 1 1 13 6718 1 1 2 CYS N N 7.556 -9.268 0.786 1.00 . A A . 2 CYS N 1 1 13 6719 1 1 2 CYS O O 7.691 -7.933 -1.591 1.00 . A A . 2 CYS O 1 1 13 6720 1 1 2 CYS SG S 9.824 -7.181 1.209 1.00 . A A . 2 CYS SG 1 1 13 6721 1 1 3 ARG C C 7.233 -4.655 -2.234 1.00 . A A . 3 ARG C 1 1 13 6722 1 1 3 ARG CA C 6.161 -5.681 -2.052 1.00 . A A . 3 ARG CA 1 1 13 6723 1 1 3 ARG CB C 4.789 -5.013 -2.131 1.00 . A A . 3 ARG CB 1 1 13 6724 1 1 3 ARG CD C 3.673 -6.715 -3.570 1.00 . A A . 3 ARG CD 1 1 13 6725 1 1 3 ARG CG C 3.628 -5.973 -2.250 1.00 . A A . 3 ARG CG 1 1 13 6726 1 1 3 ARG CZ C 2.427 -8.478 -4.788 1.00 . A A . 3 ARG CZ 1 1 13 6727 1 1 3 ARG H H 5.866 -6.020 0.006 1.00 . A A . 3 ARG H 1 1 13 6728 1 1 3 ARG HA H 6.230 -6.413 -2.840 1.00 . A A . 3 ARG HA 1 1 13 6729 1 1 3 ARG HB2 H 4.645 -4.422 -1.239 1.00 . A A . 3 ARG HB2 1 1 13 6730 1 1 3 ARG HB3 H 4.777 -4.354 -2.987 1.00 . A A . 3 ARG HB3 1 1 13 6731 1 1 3 ARG HD2 H 3.630 -5.996 -4.373 1.00 . A A . 3 ARG HD2 1 1 13 6732 1 1 3 ARG HD3 H 4.601 -7.264 -3.636 1.00 . A A . 3 ARG HD3 1 1 13 6733 1 1 3 ARG HE H 1.907 -7.648 -2.998 1.00 . A A . 3 ARG HE 1 1 13 6734 1 1 3 ARG HG2 H 3.672 -6.686 -1.440 1.00 . A A . 3 ARG HG2 1 1 13 6735 1 1 3 ARG HG3 H 2.708 -5.410 -2.193 1.00 . A A . 3 ARG HG3 1 1 13 6736 1 1 3 ARG HH11 H 4.134 -7.854 -5.755 1.00 . A A . 3 ARG HH11 1 1 13 6737 1 1 3 ARG HH12 H 3.265 -9.058 -6.584 1.00 . A A . 3 ARG HH12 1 1 13 6738 1 1 3 ARG HH21 H 0.693 -9.364 -4.134 1.00 . A A . 3 ARG HH21 1 1 13 6739 1 1 3 ARG HH22 H 1.272 -9.952 -5.619 1.00 . A A . 3 ARG HH22 1 1 13 6740 1 1 3 ARG N N 6.329 -6.349 -0.801 1.00 . A A . 3 ARG N 1 1 13 6741 1 1 3 ARG NE N 2.563 -7.654 -3.734 1.00 . A A . 3 ARG NE 1 1 13 6742 1 1 3 ARG NH1 N 3.337 -8.466 -5.776 1.00 . A A . 3 ARG NH1 1 1 13 6743 1 1 3 ARG NH2 N 1.394 -9.315 -4.851 1.00 . A A . 3 ARG NH2 1 1 13 6744 1 1 3 ARG O O 7.556 -3.904 -1.294 1.00 . A A . 3 ARG O 1 1 13 6745 1 1 4 TYR C C 8.020 -2.456 -4.298 1.00 . A A . 4 TYR C 1 1 13 6746 1 1 4 TYR CA C 8.749 -3.674 -3.774 1.00 . A A . 4 TYR CA 1 1 13 6747 1 1 4 TYR CB C 9.705 -4.233 -4.808 1.00 . A A . 4 TYR CB 1 1 13 6748 1 1 4 TYR CD1 C 11.414 -4.997 -3.126 1.00 . A A . 4 TYR CD1 1 1 13 6749 1 1 4 TYR CD2 C 10.863 -6.476 -4.908 1.00 . A A . 4 TYR CD2 1 1 13 6750 1 1 4 TYR CE1 C 12.306 -5.905 -2.642 1.00 . A A . 4 TYR CE1 1 1 13 6751 1 1 4 TYR CE2 C 11.766 -7.400 -4.415 1.00 . A A . 4 TYR CE2 1 1 13 6752 1 1 4 TYR CG C 10.669 -5.259 -4.267 1.00 . A A . 4 TYR CG 1 1 13 6753 1 1 4 TYR CZ C 12.483 -7.105 -3.279 1.00 . A A . 4 TYR CZ 1 1 13 6754 1 1 4 TYR H H 7.634 -5.318 -4.097 1.00 . A A . 4 TYR H 1 1 13 6755 1 1 4 TYR HA H 9.308 -3.402 -2.892 1.00 . A A . 4 TYR HA 1 1 13 6756 1 1 4 TYR HB2 H 9.129 -4.676 -5.605 1.00 . A A . 4 TYR HB2 1 1 13 6757 1 1 4 TYR HB3 H 10.268 -3.424 -5.227 1.00 . A A . 4 TYR HB3 1 1 13 6758 1 1 4 TYR HD1 H 11.294 -4.068 -2.585 1.00 . A A . 4 TYR HD1 1 1 13 6759 1 1 4 TYR HD2 H 10.295 -6.697 -5.798 1.00 . A A . 4 TYR HD2 1 1 13 6760 1 1 4 TYR HE1 H 12.861 -5.654 -1.753 1.00 . A A . 4 TYR HE1 1 1 13 6761 1 1 4 TYR HE2 H 11.904 -8.345 -4.920 1.00 . A A . 4 TYR HE2 1 1 13 6762 1 1 4 TYR HH H 13.210 -8.066 -1.821 1.00 . A A . 4 TYR HH 1 1 13 6763 1 1 4 TYR N N 7.813 -4.647 -3.408 1.00 . A A . 4 TYR N 1 1 13 6764 1 1 4 TYR O O 6.792 -2.336 -4.137 1.00 . A A . 4 TYR O 1 1 13 6765 1 1 4 TYR OH O 13.389 -8.016 -2.771 1.00 . A A . 4 TYR OH 1 1 13 6766 1 1 5 MET C C 7.129 -0.639 -6.471 1.00 . A A . 5 MET C 1 1 13 6767 1 1 5 MET CA C 8.148 -0.337 -5.393 1.00 . A A . 5 MET CA 1 1 13 6768 1 1 5 MET CB C 9.201 0.639 -5.913 1.00 . A A . 5 MET CB 1 1 13 6769 1 1 5 MET CE C 9.094 4.768 -6.023 1.00 . A A . 5 MET CE 1 1 13 6770 1 1 5 MET CG C 8.713 2.064 -5.892 1.00 . A A . 5 MET CG 1 1 13 6771 1 1 5 MET H H 9.685 -1.748 -5.116 1.00 . A A . 5 MET H 1 1 13 6772 1 1 5 MET HA H 7.601 0.121 -4.580 1.00 . A A . 5 MET HA 1 1 13 6773 1 1 5 MET HB2 H 10.094 0.572 -5.310 1.00 . A A . 5 MET HB2 1 1 13 6774 1 1 5 MET HB3 H 9.443 0.383 -6.934 1.00 . A A . 5 MET HB3 1 1 13 6775 1 1 5 MET HE1 H 8.078 4.833 -6.382 1.00 . A A . 5 MET HE1 1 1 13 6776 1 1 5 MET HE2 H 9.670 5.608 -6.381 1.00 . A A . 5 MET HE2 1 1 13 6777 1 1 5 MET HE3 H 9.106 4.769 -4.942 1.00 . A A . 5 MET HE3 1 1 13 6778 1 1 5 MET HG2 H 7.782 2.128 -6.435 1.00 . A A . 5 MET HG2 1 1 13 6779 1 1 5 MET HG3 H 8.542 2.317 -4.857 1.00 . A A . 5 MET HG3 1 1 13 6780 1 1 5 MET N N 8.739 -1.566 -4.930 1.00 . A A . 5 MET N 1 1 13 6781 1 1 5 MET O O 7.338 -1.539 -7.296 1.00 . A A . 5 MET O 1 1 13 6782 1 1 5 MET SD S 9.860 3.245 -6.586 1.00 . A A . 5 MET SD 1 1 13 6783 1 1 6 PHE C C 4.029 -1.294 -7.011 1.00 . A A . 6 PHE C 1 1 13 6784 1 1 6 PHE CA C 4.867 -0.060 -7.318 1.00 . A A . 6 PHE CA 1 1 13 6785 1 1 6 PHE CB C 5.267 0.019 -8.807 1.00 . A A . 6 PHE CB 1 1 13 6786 1 1 6 PHE CD1 C 5.150 2.412 -9.552 1.00 . A A . 6 PHE CD1 1 1 13 6787 1 1 6 PHE CD2 C 7.288 1.458 -9.160 1.00 . A A . 6 PHE CD2 1 1 13 6788 1 1 6 PHE CE1 C 5.746 3.611 -9.885 1.00 . A A . 6 PHE CE1 1 1 13 6789 1 1 6 PHE CE2 C 7.888 2.647 -9.490 1.00 . A A . 6 PHE CE2 1 1 13 6790 1 1 6 PHE CG C 5.914 1.323 -9.185 1.00 . A A . 6 PHE CG 1 1 13 6791 1 1 6 PHE CZ C 7.119 3.729 -9.853 1.00 . A A . 6 PHE CZ 1 1 13 6792 1 1 6 PHE H H 5.938 0.715 -5.661 1.00 . A A . 6 PHE H 1 1 13 6793 1 1 6 PHE HA H 4.236 0.787 -7.086 1.00 . A A . 6 PHE HA 1 1 13 6794 1 1 6 PHE HB2 H 5.968 -0.773 -9.021 1.00 . A A . 6 PHE HB2 1 1 13 6795 1 1 6 PHE HB3 H 4.386 -0.110 -9.416 1.00 . A A . 6 PHE HB3 1 1 13 6796 1 1 6 PHE HD1 H 4.074 2.321 -9.574 1.00 . A A . 6 PHE HD1 1 1 13 6797 1 1 6 PHE HD2 H 7.896 0.612 -8.875 1.00 . A A . 6 PHE HD2 1 1 13 6798 1 1 6 PHE HE1 H 5.136 4.455 -10.169 1.00 . A A . 6 PHE HE1 1 1 13 6799 1 1 6 PHE HE2 H 8.966 2.721 -9.451 1.00 . A A . 6 PHE HE2 1 1 13 6800 1 1 6 PHE HZ H 7.590 4.665 -10.115 1.00 . A A . 6 PHE HZ 1 1 13 6801 1 1 6 PHE N N 6.007 0.068 -6.401 1.00 . A A . 6 PHE N 1 1 13 6802 1 1 6 PHE O O 3.038 -1.574 -7.688 1.00 . A A . 6 PHE O 1 1 13 6803 1 1 7 GLY C C 2.495 -2.666 -4.679 1.00 . A A . 7 GLY C 1 1 13 6804 1 1 7 GLY CA C 3.631 -3.136 -5.540 1.00 . A A . 7 GLY CA 1 1 13 6805 1 1 7 GLY H H 5.220 -1.777 -5.477 1.00 . A A . 7 GLY H 1 1 13 6806 1 1 7 GLY HA2 H 3.246 -3.651 -6.407 1.00 . A A . 7 GLY HA2 1 1 13 6807 1 1 7 GLY HA3 H 4.257 -3.806 -4.968 1.00 . A A . 7 GLY HA3 1 1 13 6808 1 1 7 GLY N N 4.405 -2.008 -5.972 1.00 . A A . 7 GLY N 1 1 13 6809 1 1 7 GLY O O 2.638 -1.663 -3.982 1.00 . A A . 7 GLY O 1 1 13 6810 1 1 8 ASP C C 0.367 -3.107 -2.522 1.00 . A A . 8 ASP C 1 1 13 6811 1 1 8 ASP CA C 0.167 -2.998 -3.997 1.00 . A A . 8 ASP CA 1 1 13 6812 1 1 8 ASP CB C -0.995 -3.871 -4.427 1.00 . A A . 8 ASP CB 1 1 13 6813 1 1 8 ASP CG C -2.223 -3.769 -3.538 1.00 . A A . 8 ASP CG 1 1 13 6814 1 1 8 ASP H H 1.367 -4.148 -5.325 1.00 . A A . 8 ASP H 1 1 13 6815 1 1 8 ASP HA H -0.077 -1.973 -4.232 1.00 . A A . 8 ASP HA 1 1 13 6816 1 1 8 ASP HB2 H -1.266 -3.507 -5.400 1.00 . A A . 8 ASP HB2 1 1 13 6817 1 1 8 ASP HB3 H -0.665 -4.896 -4.476 1.00 . A A . 8 ASP HB3 1 1 13 6818 1 1 8 ASP N N 1.381 -3.353 -4.751 1.00 . A A . 8 ASP N 1 1 13 6819 1 1 8 ASP O O 1.085 -3.998 -2.045 1.00 . A A . 8 ASP O 1 1 13 6820 1 1 8 ASP OD1 O -2.884 -2.719 -3.536 1.00 . A A . 8 ASP OD1 1 1 13 6821 1 1 8 ASP OD2 O -2.550 -4.761 -2.843 1.00 . A A . 8 ASP OD2 1 1 13 6822 1 1 9 CYS C C -1.343 -1.654 0.285 1.00 . A A . 9 CYS C 1 1 13 6823 1 1 9 CYS CA C -0.112 -2.223 -0.392 1.00 . A A . 9 CYS CA 1 1 13 6824 1 1 9 CYS CB C 1.101 -1.393 -0.059 1.00 . A A . 9 CYS CB 1 1 13 6825 1 1 9 CYS H H -0.841 -1.567 -2.234 1.00 . A A . 9 CYS H 1 1 13 6826 1 1 9 CYS HA H 0.068 -3.233 -0.056 1.00 . A A . 9 CYS HA 1 1 13 6827 1 1 9 CYS HB2 H 1.359 -1.472 0.984 1.00 . A A . 9 CYS HB2 1 1 13 6828 1 1 9 CYS HB3 H 1.875 -1.820 -0.684 1.00 . A A . 9 CYS HB3 1 1 13 6829 1 1 9 CYS N N -0.263 -2.235 -1.801 1.00 . A A . 9 CYS N 1 1 13 6830 1 1 9 CYS O O -2.077 -0.833 -0.300 1.00 . A A . 9 CYS O 1 1 13 6831 1 1 9 CYS SG S 0.949 0.369 -0.532 1.00 . A A . 9 CYS SG 1 1 13 6832 1 1 10 GLU C C -2.016 -0.949 3.504 1.00 . A A . 10 GLU C 1 1 13 6833 1 1 10 GLU CA C -2.654 -1.599 2.296 1.00 . A A . 10 GLU CA 1 1 13 6834 1 1 10 GLU CB C -3.602 -2.693 2.756 1.00 . A A . 10 GLU CB 1 1 13 6835 1 1 10 GLU CD C -5.287 -4.433 2.175 1.00 . A A . 10 GLU CD 1 1 13 6836 1 1 10 GLU CG C -4.337 -3.404 1.643 1.00 . A A . 10 GLU CG 1 1 13 6837 1 1 10 GLU H H -1.084 -2.882 1.838 1.00 . A A . 10 GLU H 1 1 13 6838 1 1 10 GLU HA H -3.200 -0.858 1.730 1.00 . A A . 10 GLU HA 1 1 13 6839 1 1 10 GLU HB2 H -3.029 -3.430 3.300 1.00 . A A . 10 GLU HB2 1 1 13 6840 1 1 10 GLU HB3 H -4.328 -2.258 3.425 1.00 . A A . 10 GLU HB3 1 1 13 6841 1 1 10 GLU HG2 H -4.897 -2.677 1.073 1.00 . A A . 10 GLU HG2 1 1 13 6842 1 1 10 GLU HG3 H -3.617 -3.890 1.001 1.00 . A A . 10 GLU HG3 1 1 13 6843 1 1 10 GLU N N -1.611 -2.130 1.474 1.00 . A A . 10 GLU N 1 1 13 6844 1 1 10 GLU O O -2.598 -0.086 4.142 1.00 . A A . 10 GLU O 1 1 13 6845 1 1 10 GLU OE1 O -4.836 -5.528 2.555 1.00 . A A . 10 GLU OE1 1 1 13 6846 1 1 10 GLU OE2 O -6.507 -4.174 2.219 1.00 . A A . 10 GLU OE2 1 1 13 6847 1 1 11 LYS C C 1.396 -0.925 4.536 1.00 . A A . 11 LYS C 1 1 13 6848 1 1 11 LYS CA C -0.059 -0.894 4.914 1.00 . A A . 11 LYS CA 1 1 13 6849 1 1 11 LYS CB C -0.319 -1.758 6.148 1.00 . A A . 11 LYS CB 1 1 13 6850 1 1 11 LYS CD C -0.580 -4.075 7.067 1.00 . A A . 11 LYS CD 1 1 13 6851 1 1 11 LYS CE C -0.411 -5.565 6.804 1.00 . A A . 11 LYS CE 1 1 13 6852 1 1 11 LYS CG C -0.128 -3.244 5.900 1.00 . A A . 11 LYS CG 1 1 13 6853 1 1 11 LYS H H -0.394 -2.115 3.305 1.00 . A A . 11 LYS H 1 1 13 6854 1 1 11 LYS HA H -0.361 0.120 5.125 1.00 . A A . 11 LYS HA 1 1 13 6855 1 1 11 LYS HB2 H 0.365 -1.455 6.928 1.00 . A A . 11 LYS HB2 1 1 13 6856 1 1 11 LYS HB3 H -1.328 -1.586 6.480 1.00 . A A . 11 LYS HB3 1 1 13 6857 1 1 11 LYS HD2 H 0.005 -3.807 7.934 1.00 . A A . 11 LYS HD2 1 1 13 6858 1 1 11 LYS HD3 H -1.622 -3.866 7.257 1.00 . A A . 11 LYS HD3 1 1 13 6859 1 1 11 LYS HE2 H 0.632 -5.791 6.650 1.00 . A A . 11 LYS HE2 1 1 13 6860 1 1 11 LYS HE3 H -0.764 -6.101 7.670 1.00 . A A . 11 LYS HE3 1 1 13 6861 1 1 11 LYS HG2 H -0.708 -3.523 5.032 1.00 . A A . 11 LYS HG2 1 1 13 6862 1 1 11 LYS HG3 H 0.916 -3.432 5.703 1.00 . A A . 11 LYS HG3 1 1 13 6863 1 1 11 LYS HZ1 H -1.136 -7.071 5.599 1.00 . A A . 11 LYS HZ1 1 1 13 6864 1 1 11 LYS HZ2 H -0.735 -5.716 4.723 1.00 . A A . 11 LYS HZ2 1 1 13 6865 1 1 11 LYS HZ3 H -2.165 -5.747 5.658 1.00 . A A . 11 LYS HZ3 1 1 13 6866 1 1 11 LYS N N -0.822 -1.389 3.820 1.00 . A A . 11 LYS N 1 1 13 6867 1 1 11 LYS NZ N -1.167 -6.031 5.622 1.00 . A A . 11 LYS NZ 1 1 13 6868 1 1 11 LYS O O 1.765 -1.507 3.517 1.00 . A A . 11 LYS O 1 1 13 6869 1 1 12 ASP C C 4.309 -1.614 5.308 1.00 . A A . 12 ASP C 1 1 13 6870 1 1 12 ASP CA C 3.670 -0.275 5.106 1.00 . A A . 12 ASP CA 1 1 13 6871 1 1 12 ASP CB C 4.362 0.745 6.018 1.00 . A A . 12 ASP CB 1 1 13 6872 1 1 12 ASP CG C 3.821 2.131 5.869 1.00 . A A . 12 ASP CG 1 1 13 6873 1 1 12 ASP H H 1.847 0.019 6.194 1.00 . A A . 12 ASP H 1 1 13 6874 1 1 12 ASP HA H 3.805 0.024 4.077 1.00 . A A . 12 ASP HA 1 1 13 6875 1 1 12 ASP HB2 H 4.232 0.445 7.046 1.00 . A A . 12 ASP HB2 1 1 13 6876 1 1 12 ASP HB3 H 5.416 0.757 5.786 1.00 . A A . 12 ASP HB3 1 1 13 6877 1 1 12 ASP N N 2.221 -0.359 5.368 1.00 . A A . 12 ASP N 1 1 13 6878 1 1 12 ASP O O 5.408 -1.878 4.823 1.00 . A A . 12 ASP O 1 1 13 6879 1 1 12 ASP OD1 O 3.260 2.686 6.860 1.00 . A A . 12 ASP OD1 1 1 13 6880 1 1 12 ASP OD2 O 3.870 2.673 4.756 1.00 . A A . 12 ASP OD2 1 1 13 6881 1 1 13 GLU C C 4.042 -4.688 5.100 1.00 . A A . 13 GLU C 1 1 13 6882 1 1 13 GLU CA C 4.042 -3.814 6.321 1.00 . A A . 13 GLU CA 1 1 13 6883 1 1 13 GLU CB C 3.126 -4.441 7.338 1.00 . A A . 13 GLU CB 1 1 13 6884 1 1 13 GLU CD C 2.177 -4.361 9.677 1.00 . A A . 13 GLU CD 1 1 13 6885 1 1 13 GLU CG C 2.983 -3.640 8.626 1.00 . A A . 13 GLU CG 1 1 13 6886 1 1 13 GLU H H 2.688 -2.185 6.264 1.00 . A A . 13 GLU H 1 1 13 6887 1 1 13 GLU HA H 5.036 -3.754 6.738 1.00 . A A . 13 GLU HA 1 1 13 6888 1 1 13 GLU HB2 H 2.173 -4.536 6.835 1.00 . A A . 13 GLU HB2 1 1 13 6889 1 1 13 GLU HB3 H 3.488 -5.434 7.556 1.00 . A A . 13 GLU HB3 1 1 13 6890 1 1 13 GLU HG2 H 3.966 -3.440 9.025 1.00 . A A . 13 GLU HG2 1 1 13 6891 1 1 13 GLU HG3 H 2.495 -2.705 8.395 1.00 . A A . 13 GLU HG3 1 1 13 6892 1 1 13 GLU N N 3.581 -2.478 5.987 1.00 . A A . 13 GLU N 1 1 13 6893 1 1 13 GLU O O 4.739 -5.700 5.046 1.00 . A A . 13 GLU O 1 1 13 6894 1 1 13 GLU OE1 O 0.984 -4.037 9.870 1.00 . A A . 13 GLU OE1 1 1 13 6895 1 1 13 GLU OE2 O 2.727 -5.278 10.319 1.00 . A A . 13 GLU OE2 1 1 13 6896 1 1 14 ASP C C 4.367 -4.785 2.070 1.00 . A A . 14 ASP C 1 1 13 6897 1 1 14 ASP CA C 3.151 -5.071 2.904 1.00 . A A . 14 ASP CA 1 1 13 6898 1 1 14 ASP CB C 1.895 -4.748 2.087 1.00 . A A . 14 ASP CB 1 1 13 6899 1 1 14 ASP CG C 0.585 -4.852 2.832 1.00 . A A . 14 ASP CG 1 1 13 6900 1 1 14 ASP H H 2.718 -3.480 4.211 1.00 . A A . 14 ASP H 1 1 13 6901 1 1 14 ASP HA H 3.154 -6.119 3.165 1.00 . A A . 14 ASP HA 1 1 13 6902 1 1 14 ASP HB2 H 1.965 -3.768 1.640 1.00 . A A . 14 ASP HB2 1 1 13 6903 1 1 14 ASP HB3 H 1.882 -5.499 1.316 1.00 . A A . 14 ASP HB3 1 1 13 6904 1 1 14 ASP N N 3.243 -4.304 4.120 1.00 . A A . 14 ASP N 1 1 13 6905 1 1 14 ASP O O 4.794 -5.598 1.266 1.00 . A A . 14 ASP O 1 1 13 6906 1 1 14 ASP OD1 O -0.122 -3.850 2.924 1.00 . A A . 14 ASP OD1 1 1 13 6907 1 1 14 ASP OD2 O 0.240 -5.945 3.346 1.00 . A A . 14 ASP OD2 1 1 13 6908 1 1 15 CYS C C 7.331 -3.662 2.354 1.00 . A A . 15 CYS C 1 1 13 6909 1 1 15 CYS CA C 6.108 -3.205 1.595 1.00 . A A . 15 CYS CA 1 1 13 6910 1 1 15 CYS CB C 6.123 -1.690 1.514 1.00 . A A . 15 CYS CB 1 1 13 6911 1 1 15 CYS H H 4.573 -3.033 2.983 1.00 . A A . 15 CYS H 1 1 13 6912 1 1 15 CYS HA H 6.103 -3.613 0.595 1.00 . A A . 15 CYS HA 1 1 13 6913 1 1 15 CYS HB2 H 6.344 -1.290 2.490 1.00 . A A . 15 CYS HB2 1 1 13 6914 1 1 15 CYS HB3 H 6.906 -1.394 0.833 1.00 . A A . 15 CYS HB3 1 1 13 6915 1 1 15 CYS N N 4.938 -3.630 2.297 1.00 . A A . 15 CYS N 1 1 13 6916 1 1 15 CYS O O 7.243 -4.033 3.534 1.00 . A A . 15 CYS O 1 1 13 6917 1 1 15 CYS SG S 4.567 -0.971 0.912 1.00 . A A . 15 CYS SG 1 1 13 6918 1 1 16 CYS C C 10.148 -2.832 3.237 1.00 . A A . 16 CYS C 1 1 13 6919 1 1 16 CYS CA C 9.707 -3.991 2.307 1.00 . A A . 16 CYS CA 1 1 13 6920 1 1 16 CYS CB C 10.731 -4.271 1.228 1.00 . A A . 16 CYS CB 1 1 13 6921 1 1 16 CYS H H 8.436 -3.551 0.716 1.00 . A A . 16 CYS H 1 1 13 6922 1 1 16 CYS HA H 9.570 -4.880 2.904 1.00 . A A . 16 CYS HA 1 1 13 6923 1 1 16 CYS HB2 H 10.972 -3.358 0.712 1.00 . A A . 16 CYS HB2 1 1 13 6924 1 1 16 CYS HB3 H 11.639 -4.619 1.680 1.00 . A A . 16 CYS HB3 1 1 13 6925 1 1 16 CYS N N 8.446 -3.687 1.686 1.00 . A A . 16 CYS N 1 1 13 6926 1 1 16 CYS O O 9.473 -1.790 3.313 1.00 . A A . 16 CYS O 1 1 13 6927 1 1 16 CYS SG S 10.207 -5.559 0.047 1.00 . A A . 16 CYS SG 1 1 13 6928 1 1 17 LYS C C 11.972 -0.679 4.435 1.00 . A A . 17 LYS C 1 1 13 6929 1 1 17 LYS CA C 11.744 -2.068 4.949 1.00 . A A . 17 LYS CA 1 1 13 6930 1 1 17 LYS CB C 13.035 -2.561 5.572 1.00 . A A . 17 LYS CB 1 1 13 6931 1 1 17 LYS CD C 14.105 -4.272 7.007 1.00 . A A . 17 LYS CD 1 1 13 6932 1 1 17 LYS CE C 13.975 -5.673 7.572 1.00 . A A . 17 LYS CE 1 1 13 6933 1 1 17 LYS CG C 12.928 -3.933 6.121 1.00 . A A . 17 LYS CG 1 1 13 6934 1 1 17 LYS H H 11.847 -3.761 3.648 1.00 . A A . 17 LYS H 1 1 13 6935 1 1 17 LYS HA H 10.992 -2.038 5.723 1.00 . A A . 17 LYS HA 1 1 13 6936 1 1 17 LYS HB2 H 13.813 -2.553 4.822 1.00 . A A . 17 LYS HB2 1 1 13 6937 1 1 17 LYS HB3 H 13.311 -1.891 6.371 1.00 . A A . 17 LYS HB3 1 1 13 6938 1 1 17 LYS HD2 H 15.013 -4.207 6.427 1.00 . A A . 17 LYS HD2 1 1 13 6939 1 1 17 LYS HD3 H 14.142 -3.564 7.820 1.00 . A A . 17 LYS HD3 1 1 13 6940 1 1 17 LYS HE2 H 13.043 -5.746 8.114 1.00 . A A . 17 LYS HE2 1 1 13 6941 1 1 17 LYS HE3 H 13.966 -6.377 6.753 1.00 . A A . 17 LYS HE3 1 1 13 6942 1 1 17 LYS HG2 H 11.988 -3.961 6.641 1.00 . A A . 17 LYS HG2 1 1 13 6943 1 1 17 LYS HG3 H 12.889 -4.617 5.289 1.00 . A A . 17 LYS HG3 1 1 13 6944 1 1 17 LYS HZ1 H 15.001 -6.986 8.816 1.00 . A A . 17 LYS HZ1 1 1 13 6945 1 1 17 LYS HZ2 H 15.068 -5.378 9.312 1.00 . A A . 17 LYS HZ2 1 1 13 6946 1 1 17 LYS HZ3 H 16.004 -5.890 8.003 1.00 . A A . 17 LYS HZ3 1 1 13 6947 1 1 17 LYS N N 11.282 -2.999 3.898 1.00 . A A . 17 LYS N 1 1 13 6948 1 1 17 LYS NZ N 15.090 -6.004 8.483 1.00 . A A . 17 LYS NZ 1 1 13 6949 1 1 17 LYS O O 11.457 0.299 4.974 1.00 . A A . 17 LYS O 1 1 13 6950 1 1 18 HIS C C 11.988 1.294 1.944 1.00 . A A . 18 HIS C 1 1 13 6951 1 1 18 HIS CA C 13.117 0.661 2.760 1.00 . A A . 18 HIS CA 1 1 13 6952 1 1 18 HIS CB C 14.342 0.451 1.847 1.00 . A A . 18 HIS CB 1 1 13 6953 1 1 18 HIS CD2 C 15.978 -1.050 3.198 1.00 . A A . 18 HIS CD2 1 1 13 6954 1 1 18 HIS CE1 C 17.678 0.288 3.296 1.00 . A A . 18 HIS CE1 1 1 13 6955 1 1 18 HIS CG C 15.620 0.090 2.557 1.00 . A A . 18 HIS CG 1 1 13 6956 1 1 18 HIS H H 12.999 -1.484 3.042 1.00 . A A . 18 HIS H 1 1 13 6957 1 1 18 HIS HA H 13.396 1.339 3.551 1.00 . A A . 18 HIS HA 1 1 13 6958 1 1 18 HIS HB2 H 14.122 -0.345 1.153 1.00 . A A . 18 HIS HB2 1 1 13 6959 1 1 18 HIS HB3 H 14.514 1.359 1.288 1.00 . A A . 18 HIS HB3 1 1 13 6960 1 1 18 HIS HD1 H 16.773 1.824 2.243 1.00 . A A . 18 HIS HD1 1 1 13 6961 1 1 18 HIS HD2 H 15.359 -1.923 3.335 1.00 . A A . 18 HIS HD2 1 1 13 6962 1 1 18 HIS HE1 H 18.652 0.704 3.507 1.00 . A A . 18 HIS HE1 1 1 13 6963 1 1 18 HIS N N 12.712 -0.610 3.389 1.00 . A A . 18 HIS N 1 1 13 6964 1 1 18 HIS ND1 N 16.714 0.922 2.632 1.00 . A A . 18 HIS ND1 1 1 13 6965 1 1 18 HIS NE2 N 17.283 -0.923 3.667 1.00 . A A . 18 HIS NE2 1 1 13 6966 1 1 18 HIS O O 12.216 2.238 1.188 1.00 . A A . 18 HIS O 1 1 13 6967 1 1 19 LEU C C 8.528 1.678 2.267 1.00 . A A . 19 LEU C 1 1 13 6968 1 1 19 LEU CA C 9.668 1.277 1.355 1.00 . A A . 19 LEU CA 1 1 13 6969 1 1 19 LEU CB C 9.211 0.152 0.420 1.00 . A A . 19 LEU CB 1 1 13 6970 1 1 19 LEU CD1 C 9.786 -1.653 -1.180 1.00 . A A . 19 LEU CD1 1 1 13 6971 1 1 19 LEU CD2 C 10.429 0.621 -1.712 1.00 . A A . 19 LEU CD2 1 1 13 6972 1 1 19 LEU CG C 10.241 -0.362 -0.593 1.00 . A A . 19 LEU CG 1 1 13 6973 1 1 19 LEU H H 10.616 0.164 2.838 1.00 . A A . 19 LEU H 1 1 13 6974 1 1 19 LEU HA H 9.955 2.136 0.762 1.00 . A A . 19 LEU HA 1 1 13 6975 1 1 19 LEU HB2 H 8.908 -0.681 1.037 1.00 . A A . 19 LEU HB2 1 1 13 6976 1 1 19 LEU HB3 H 8.346 0.501 -0.125 1.00 . A A . 19 LEU HB3 1 1 13 6977 1 1 19 LEU HD11 H 8.869 -1.493 -1.727 1.00 . A A . 19 LEU HD11 1 1 13 6978 1 1 19 LEU HD12 H 9.616 -2.370 -0.391 1.00 . A A . 19 LEU HD12 1 1 13 6979 1 1 19 LEU HD13 H 10.552 -2.009 -1.852 1.00 . A A . 19 LEU HD13 1 1 13 6980 1 1 19 LEU HD21 H 11.137 0.207 -2.416 1.00 . A A . 19 LEU HD21 1 1 13 6981 1 1 19 LEU HD22 H 10.818 1.545 -1.315 1.00 . A A . 19 LEU HD22 1 1 13 6982 1 1 19 LEU HD23 H 9.486 0.796 -2.210 1.00 . A A . 19 LEU HD23 1 1 13 6983 1 1 19 LEU HG H 11.194 -0.510 -0.110 1.00 . A A . 19 LEU HG 1 1 13 6984 1 1 19 LEU N N 10.784 0.821 2.129 1.00 . A A . 19 LEU N 1 1 13 6985 1 1 19 LEU O O 8.393 1.166 3.388 1.00 . A A . 19 LEU O 1 1 13 6986 1 1 20 GLY C C 5.394 2.986 1.557 1.00 . A A . 20 GLY C 1 1 13 6987 1 1 20 GLY CA C 6.572 3.031 2.481 1.00 . A A . 20 GLY CA 1 1 13 6988 1 1 20 GLY H H 7.905 2.919 0.876 1.00 . A A . 20 GLY H 1 1 13 6989 1 1 20 GLY HA2 H 6.394 2.395 3.336 1.00 . A A . 20 GLY HA2 1 1 13 6990 1 1 20 GLY HA3 H 6.724 4.049 2.803 1.00 . A A . 20 GLY HA3 1 1 13 6991 1 1 20 GLY N N 7.725 2.571 1.779 1.00 . A A . 20 GLY N 1 1 13 6992 1 1 20 GLY O O 5.543 3.230 0.354 1.00 . A A . 20 GLY O 1 1 13 6993 1 1 21 CYS C C 2.396 3.880 0.993 1.00 . A A . 21 CYS C 1 1 13 6994 1 1 21 CYS CA C 3.071 2.532 1.272 1.00 . A A . 21 CYS CA 1 1 13 6995 1 1 21 CYS CB C 2.110 1.564 1.986 1.00 . A A . 21 CYS CB 1 1 13 6996 1 1 21 CYS H H 4.185 2.615 3.063 1.00 . A A . 21 CYS H 1 1 13 6997 1 1 21 CYS HA H 3.363 2.089 0.331 1.00 . A A . 21 CYS HA 1 1 13 6998 1 1 21 CYS HB2 H 2.577 0.591 2.052 1.00 . A A . 21 CYS HB2 1 1 13 6999 1 1 21 CYS HB3 H 1.935 1.930 2.987 1.00 . A A . 21 CYS HB3 1 1 13 7000 1 1 21 CYS N N 4.256 2.698 2.078 1.00 . A A . 21 CYS N 1 1 13 7001 1 1 21 CYS O O 1.883 4.521 1.894 1.00 . A A . 21 CYS O 1 1 13 7002 1 1 21 CYS SG S 0.491 1.335 1.185 1.00 . A A . 21 CYS SG 1 1 13 7003 1 1 22 LYS C C 0.275 5.329 -0.552 1.00 . A A . 22 LYS C 1 1 13 7004 1 1 22 LYS CA C 1.738 5.563 -0.579 1.00 . A A . 22 LYS CA 1 1 13 7005 1 1 22 LYS CB C 2.105 6.058 -1.954 1.00 . A A . 22 LYS CB 1 1 13 7006 1 1 22 LYS CD C 3.748 7.893 -1.391 1.00 . A A . 22 LYS CD 1 1 13 7007 1 1 22 LYS CE C 5.133 8.437 -1.728 1.00 . A A . 22 LYS CE 1 1 13 7008 1 1 22 LYS CG C 3.510 6.557 -2.098 1.00 . A A . 22 LYS CG 1 1 13 7009 1 1 22 LYS H H 2.843 3.791 -0.941 1.00 . A A . 22 LYS H 1 1 13 7010 1 1 22 LYS HA H 1.998 6.313 0.154 1.00 . A A . 22 LYS HA 1 1 13 7011 1 1 22 LYS HB2 H 1.959 5.215 -2.611 1.00 . A A . 22 LYS HB2 1 1 13 7012 1 1 22 LYS HB3 H 1.416 6.841 -2.238 1.00 . A A . 22 LYS HB3 1 1 13 7013 1 1 22 LYS HD2 H 2.999 8.607 -1.696 1.00 . A A . 22 LYS HD2 1 1 13 7014 1 1 22 LYS HD3 H 3.685 7.741 -0.324 1.00 . A A . 22 LYS HD3 1 1 13 7015 1 1 22 LYS HE2 H 5.878 7.767 -1.325 1.00 . A A . 22 LYS HE2 1 1 13 7016 1 1 22 LYS HE3 H 5.231 8.471 -2.802 1.00 . A A . 22 LYS HE3 1 1 13 7017 1 1 22 LYS HG2 H 4.099 5.810 -1.596 1.00 . A A . 22 LYS HG2 1 1 13 7018 1 1 22 LYS HG3 H 3.777 6.622 -3.142 1.00 . A A . 22 LYS HG3 1 1 13 7019 1 1 22 LYS HZ1 H 4.686 10.461 -1.570 1.00 . A A . 22 LYS HZ1 1 1 13 7020 1 1 22 LYS HZ2 H 6.315 10.125 -1.467 1.00 . A A . 22 LYS HZ2 1 1 13 7021 1 1 22 LYS HZ3 H 5.324 9.822 -0.144 1.00 . A A . 22 LYS HZ3 1 1 13 7022 1 1 22 LYS N N 2.411 4.328 -0.238 1.00 . A A . 22 LYS N 1 1 13 7023 1 1 22 LYS NZ N 5.372 9.785 -1.183 1.00 . A A . 22 LYS NZ 1 1 13 7024 1 1 22 LYS O O -0.264 4.605 -1.416 1.00 . A A . 22 LYS O 1 1 13 7025 1 1 23 ARG C C -2.572 6.495 -0.553 1.00 . A A . 23 ARG C 1 1 13 7026 1 1 23 ARG CA C -1.814 5.838 0.605 1.00 . A A . 23 ARG CA 1 1 13 7027 1 1 23 ARG CB C -2.269 6.535 1.906 1.00 . A A . 23 ARG CB 1 1 13 7028 1 1 23 ARG CD C -0.861 5.143 3.531 1.00 . A A . 23 ARG CD 1 1 13 7029 1 1 23 ARG CG C -1.314 6.521 3.111 1.00 . A A . 23 ARG CG 1 1 13 7030 1 1 23 ARG CZ C 0.857 4.495 5.257 1.00 . A A . 23 ARG CZ 1 1 13 7031 1 1 23 ARG H H 0.156 6.527 1.001 1.00 . A A . 23 ARG H 1 1 13 7032 1 1 23 ARG HA H -2.062 4.793 0.649 1.00 . A A . 23 ARG HA 1 1 13 7033 1 1 23 ARG HB2 H -2.471 7.570 1.674 1.00 . A A . 23 ARG HB2 1 1 13 7034 1 1 23 ARG HB3 H -3.199 6.077 2.212 1.00 . A A . 23 ARG HB3 1 1 13 7035 1 1 23 ARG HD2 H -1.722 4.492 3.538 1.00 . A A . 23 ARG HD2 1 1 13 7036 1 1 23 ARG HD3 H -0.146 4.804 2.793 1.00 . A A . 23 ARG HD3 1 1 13 7037 1 1 23 ARG HE H -0.673 5.780 5.514 1.00 . A A . 23 ARG HE 1 1 13 7038 1 1 23 ARG HG2 H -0.434 7.094 2.858 1.00 . A A . 23 ARG HG2 1 1 13 7039 1 1 23 ARG HG3 H -1.810 6.999 3.943 1.00 . A A . 23 ARG HG3 1 1 13 7040 1 1 23 ARG HH11 H 1.299 3.822 3.422 1.00 . A A . 23 ARG HH11 1 1 13 7041 1 1 23 ARG HH12 H 2.388 3.331 4.652 1.00 . A A . 23 ARG HH12 1 1 13 7042 1 1 23 ARG HH21 H 0.837 5.078 7.229 1.00 . A A . 23 ARG HH21 1 1 13 7043 1 1 23 ARG HH22 H 2.089 3.989 6.774 1.00 . A A . 23 ARG HH22 1 1 13 7044 1 1 23 ARG N N -0.376 5.969 0.395 1.00 . A A . 23 ARG N 1 1 13 7045 1 1 23 ARG NE N -0.217 5.192 4.867 1.00 . A A . 23 ARG NE 1 1 13 7046 1 1 23 ARG NH1 N 1.544 3.830 4.393 1.00 . A A . 23 ARG NH1 1 1 13 7047 1 1 23 ARG NH2 N 1.279 4.535 6.509 1.00 . A A . 23 ARG NH2 1 1 13 7048 1 1 23 ARG O O -3.774 6.305 -0.720 1.00 . A A . 23 ARG O 1 1 13 7049 1 1 24 LYS C C -2.470 7.180 -3.682 1.00 . A A . 24 LYS C 1 1 13 7050 1 1 24 LYS CA C -2.449 8.020 -2.434 1.00 . A A . 24 LYS CA 1 1 13 7051 1 1 24 LYS CB C -1.633 9.299 -2.688 1.00 . A A . 24 LYS CB 1 1 13 7052 1 1 24 LYS CD C -1.208 11.341 -4.102 1.00 . A A . 24 LYS CD 1 1 13 7053 1 1 24 LYS CE C -1.650 12.117 -5.327 1.00 . A A . 24 LYS CE 1 1 13 7054 1 1 24 LYS CG C -2.116 10.146 -3.859 1.00 . A A . 24 LYS CG 1 1 13 7055 1 1 24 LYS H H -0.878 7.239 -1.214 1.00 . A A . 24 LYS H 1 1 13 7056 1 1 24 LYS HA H -3.457 8.292 -2.160 1.00 . A A . 24 LYS HA 1 1 13 7057 1 1 24 LYS HB2 H -1.655 9.912 -1.799 1.00 . A A . 24 LYS HB2 1 1 13 7058 1 1 24 LYS HB3 H -0.611 9.010 -2.883 1.00 . A A . 24 LYS HB3 1 1 13 7059 1 1 24 LYS HD2 H -1.227 11.993 -3.243 1.00 . A A . 24 LYS HD2 1 1 13 7060 1 1 24 LYS HD3 H -0.199 10.988 -4.259 1.00 . A A . 24 LYS HD3 1 1 13 7061 1 1 24 LYS HE2 H -1.580 11.468 -6.187 1.00 . A A . 24 LYS HE2 1 1 13 7062 1 1 24 LYS HE3 H -2.676 12.421 -5.194 1.00 . A A . 24 LYS HE3 1 1 13 7063 1 1 24 LYS HG2 H -2.128 9.532 -4.747 1.00 . A A . 24 LYS HG2 1 1 13 7064 1 1 24 LYS HG3 H -3.116 10.497 -3.649 1.00 . A A . 24 LYS HG3 1 1 13 7065 1 1 24 LYS HZ1 H 0.190 13.057 -5.630 1.00 . A A . 24 LYS HZ1 1 1 13 7066 1 1 24 LYS HZ2 H -0.934 14.023 -4.820 1.00 . A A . 24 LYS HZ2 1 1 13 7067 1 1 24 LYS HZ3 H -1.074 13.760 -6.471 1.00 . A A . 24 LYS HZ3 1 1 13 7068 1 1 24 LYS N N -1.852 7.255 -1.346 1.00 . A A . 24 LYS N 1 1 13 7069 1 1 24 LYS NZ N -0.815 13.311 -5.567 1.00 . A A . 24 LYS NZ 1 1 13 7070 1 1 24 LYS O O -3.352 7.295 -4.533 1.00 . A A . 24 LYS O 1 1 13 7071 1 1 25 MET C C -1.608 4.081 -4.746 1.00 . A A . 25 MET C 1 1 13 7072 1 1 25 MET CA C -1.307 5.547 -4.955 1.00 . A A . 25 MET CA 1 1 13 7073 1 1 25 MET CB C 0.115 5.722 -5.421 1.00 . A A . 25 MET CB 1 1 13 7074 1 1 25 MET CE C 0.295 9.094 -7.795 1.00 . A A . 25 MET CE 1 1 13 7075 1 1 25 MET CG C 0.465 7.101 -5.926 1.00 . A A . 25 MET CG 1 1 13 7076 1 1 25 MET H H -0.919 6.178 -2.998 1.00 . A A . 25 MET H 1 1 13 7077 1 1 25 MET HA H -1.955 5.937 -5.723 1.00 . A A . 25 MET HA 1 1 13 7078 1 1 25 MET HB2 H 0.812 5.457 -4.642 1.00 . A A . 25 MET HB2 1 1 13 7079 1 1 25 MET HB3 H 0.264 5.029 -6.229 1.00 . A A . 25 MET HB3 1 1 13 7080 1 1 25 MET HE1 H 1.337 8.881 -7.983 1.00 . A A . 25 MET HE1 1 1 13 7081 1 1 25 MET HE2 H 0.202 9.787 -6.972 1.00 . A A . 25 MET HE2 1 1 13 7082 1 1 25 MET HE3 H -0.160 9.503 -8.684 1.00 . A A . 25 MET HE3 1 1 13 7083 1 1 25 MET HG2 H 0.270 7.815 -5.140 1.00 . A A . 25 MET HG2 1 1 13 7084 1 1 25 MET HG3 H 1.512 7.125 -6.189 1.00 . A A . 25 MET HG3 1 1 13 7085 1 1 25 MET N N -1.510 6.316 -3.768 1.00 . A A . 25 MET N 1 1 13 7086 1 1 25 MET O O -1.756 3.336 -5.708 1.00 . A A . 25 MET O 1 1 13 7087 1 1 25 MET SD S -0.504 7.560 -7.366 1.00 . A A . 25 MET SD 1 1 13 7088 1 1 26 LYS C C -0.775 1.422 -3.463 1.00 . A A . 26 LYS C 1 1 13 7089 1 1 26 LYS CA C -1.924 2.297 -3.063 1.00 . A A . 26 LYS CA 1 1 13 7090 1 1 26 LYS CB C -3.266 1.768 -3.590 1.00 . A A . 26 LYS CB 1 1 13 7091 1 1 26 LYS CD C -4.473 2.884 -1.682 1.00 . A A . 26 LYS CD 1 1 13 7092 1 1 26 LYS CE C -4.699 1.597 -0.887 1.00 . A A . 26 LYS CE 1 1 13 7093 1 1 26 LYS CG C -4.447 2.641 -3.186 1.00 . A A . 26 LYS CG 1 1 13 7094 1 1 26 LYS H H -1.524 4.331 -2.764 1.00 . A A . 26 LYS H 1 1 13 7095 1 1 26 LYS HA H -1.936 2.289 -1.983 1.00 . A A . 26 LYS HA 1 1 13 7096 1 1 26 LYS HB2 H -3.219 1.713 -4.667 1.00 . A A . 26 LYS HB2 1 1 13 7097 1 1 26 LYS HB3 H -3.427 0.773 -3.199 1.00 . A A . 26 LYS HB3 1 1 13 7098 1 1 26 LYS HD2 H -3.493 3.273 -1.435 1.00 . A A . 26 LYS HD2 1 1 13 7099 1 1 26 LYS HD3 H -5.232 3.613 -1.440 1.00 . A A . 26 LYS HD3 1 1 13 7100 1 1 26 LYS HE2 H -3.859 0.939 -1.054 1.00 . A A . 26 LYS HE2 1 1 13 7101 1 1 26 LYS HE3 H -4.739 1.848 0.162 1.00 . A A . 26 LYS HE3 1 1 13 7102 1 1 26 LYS HG2 H -4.362 3.593 -3.688 1.00 . A A . 26 LYS HG2 1 1 13 7103 1 1 26 LYS HG3 H -5.366 2.158 -3.481 1.00 . A A . 26 LYS HG3 1 1 13 7104 1 1 26 LYS HZ1 H -6.786 1.515 -1.189 1.00 . A A . 26 LYS HZ1 1 1 13 7105 1 1 26 LYS HZ2 H -6.121 0.099 -0.629 1.00 . A A . 26 LYS HZ2 1 1 13 7106 1 1 26 LYS HZ3 H -5.905 0.521 -2.241 1.00 . A A . 26 LYS HZ3 1 1 13 7107 1 1 26 LYS N N -1.674 3.679 -3.480 1.00 . A A . 26 LYS N 1 1 13 7108 1 1 26 LYS NZ N -5.954 0.898 -1.273 1.00 . A A . 26 LYS NZ 1 1 13 7109 1 1 26 LYS O O -0.930 0.220 -3.731 1.00 . A A . 26 LYS O 1 1 13 7110 1 1 27 TYR C C 2.774 1.626 -2.964 1.00 . A A . 27 TYR C 1 1 13 7111 1 1 27 TYR CA C 1.593 1.259 -3.794 1.00 . A A . 27 TYR CA 1 1 13 7112 1 1 27 TYR CB C 1.963 1.274 -5.314 1.00 . A A . 27 TYR CB 1 1 13 7113 1 1 27 TYR CD1 C 1.850 3.344 -6.820 1.00 . A A . 27 TYR CD1 1 1 13 7114 1 1 27 TYR CD2 C 3.871 2.941 -5.642 1.00 . A A . 27 TYR CD2 1 1 13 7115 1 1 27 TYR CE1 C 2.426 4.463 -7.399 1.00 . A A . 27 TYR CE1 1 1 13 7116 1 1 27 TYR CE2 C 4.442 4.059 -6.206 1.00 . A A . 27 TYR CE2 1 1 13 7117 1 1 27 TYR CG C 2.561 2.557 -5.928 1.00 . A A . 27 TYR CG 1 1 13 7118 1 1 27 TYR CZ C 3.719 4.814 -7.085 1.00 . A A . 27 TYR CZ 1 1 13 7119 1 1 27 TYR H H 0.400 2.922 -3.049 1.00 . A A . 27 TYR H 1 1 13 7120 1 1 27 TYR HA H 1.360 0.240 -3.524 1.00 . A A . 27 TYR HA 1 1 13 7121 1 1 27 TYR HB2 H 2.702 0.501 -5.462 1.00 . A A . 27 TYR HB2 1 1 13 7122 1 1 27 TYR HB3 H 1.085 0.988 -5.866 1.00 . A A . 27 TYR HB3 1 1 13 7123 1 1 27 TYR HD1 H 0.830 3.099 -7.076 1.00 . A A . 27 TYR HD1 1 1 13 7124 1 1 27 TYR HD2 H 4.445 2.346 -4.947 1.00 . A A . 27 TYR HD2 1 1 13 7125 1 1 27 TYR HE1 H 1.844 5.063 -8.081 1.00 . A A . 27 TYR HE1 1 1 13 7126 1 1 27 TYR HE2 H 5.456 4.332 -5.956 1.00 . A A . 27 TYR HE2 1 1 13 7127 1 1 27 TYR HH H 3.640 6.627 -7.733 1.00 . A A . 27 TYR HH 1 1 13 7128 1 1 27 TYR N N 0.394 2.010 -3.426 1.00 . A A . 27 TYR N 1 1 13 7129 1 1 27 TYR O O 2.847 2.726 -2.400 1.00 . A A . 27 TYR O 1 1 13 7130 1 1 27 TYR OH O 4.298 5.924 -7.669 1.00 . A A . 27 TYR OH 1 1 13 7131 1 1 28 CYS C C 5.859 1.790 -2.896 1.00 . A A . 28 CYS C 1 1 13 7132 1 1 28 CYS CA C 4.899 0.890 -2.165 1.00 . A A . 28 CYS CA 1 1 13 7133 1 1 28 CYS CB C 5.540 -0.467 -1.897 1.00 . A A . 28 CYS CB 1 1 13 7134 1 1 28 CYS H H 3.559 -0.088 -3.458 1.00 . A A . 28 CYS H 1 1 13 7135 1 1 28 CYS HA H 4.640 1.341 -1.219 1.00 . A A . 28 CYS HA 1 1 13 7136 1 1 28 CYS HB2 H 5.801 -0.927 -2.840 1.00 . A A . 28 CYS HB2 1 1 13 7137 1 1 28 CYS HB3 H 6.436 -0.325 -1.312 1.00 . A A . 28 CYS HB3 1 1 13 7138 1 1 28 CYS N N 3.704 0.729 -2.929 1.00 . A A . 28 CYS N 1 1 13 7139 1 1 28 CYS O O 6.191 1.553 -4.060 1.00 . A A . 28 CYS O 1 1 13 7140 1 1 28 CYS SG S 4.464 -1.623 -1.000 1.00 . A A . 28 CYS SG 1 1 13 7141 1 1 29 ALA C C 8.383 3.762 -1.822 1.00 . A A . 29 ALA C 1 1 13 7142 1 1 29 ALA CA C 7.202 3.762 -2.760 1.00 . A A . 29 ALA CA 1 1 13 7143 1 1 29 ALA CB C 6.576 5.126 -2.857 1.00 . A A . 29 ALA CB 1 1 13 7144 1 1 29 ALA H H 5.916 2.973 -1.329 1.00 . A A . 29 ALA H 1 1 13 7145 1 1 29 ALA HA H 7.504 3.430 -3.741 1.00 . A A . 29 ALA HA 1 1 13 7146 1 1 29 ALA HB1 H 7.280 5.803 -3.314 1.00 . A A . 29 ALA HB1 1 1 13 7147 1 1 29 ALA HB2 H 6.328 5.478 -1.866 1.00 . A A . 29 ALA HB2 1 1 13 7148 1 1 29 ALA HB3 H 5.680 5.074 -3.459 1.00 . A A . 29 ALA HB3 1 1 13 7149 1 1 29 ALA N N 6.255 2.828 -2.242 1.00 . A A . 29 ALA N 1 1 13 7150 1 1 29 ALA O O 8.397 2.974 -0.898 1.00 . A A . 29 ALA O 1 1 13 7151 1 1 30 TRP C C 10.284 5.234 0.234 1.00 . A A . 30 TRP C 1 1 13 7152 1 1 30 TRP CA C 10.527 4.628 -1.139 1.00 . A A . 30 TRP CA 1 1 13 7153 1 1 30 TRP CB C 11.751 5.244 -1.822 1.00 . A A . 30 TRP CB 1 1 13 7154 1 1 30 TRP CD1 C 12.086 4.730 -4.298 1.00 . A A . 30 TRP CD1 1 1 13 7155 1 1 30 TRP CD2 C 12.872 3.196 -2.916 1.00 . A A . 30 TRP CD2 1 1 13 7156 1 1 30 TRP CE2 C 13.122 2.763 -4.219 1.00 . A A . 30 TRP CE2 1 1 13 7157 1 1 30 TRP CE3 C 13.263 2.418 -1.864 1.00 . A A . 30 TRP CE3 1 1 13 7158 1 1 30 TRP CG C 12.220 4.443 -2.988 1.00 . A A . 30 TRP CG 1 1 13 7159 1 1 30 TRP CH2 C 14.142 0.794 -3.419 1.00 . A A . 30 TRP CH2 1 1 13 7160 1 1 30 TRP CZ2 C 13.759 1.556 -4.490 1.00 . A A . 30 TRP CZ2 1 1 13 7161 1 1 30 TRP CZ3 C 13.898 1.218 -2.110 1.00 . A A . 30 TRP CZ3 1 1 13 7162 1 1 30 TRP H H 9.249 5.360 -2.667 1.00 . A A . 30 TRP H 1 1 13 7163 1 1 30 TRP HA H 10.724 3.578 -0.990 1.00 . A A . 30 TRP HA 1 1 13 7164 1 1 30 TRP HB2 H 11.522 6.238 -2.164 1.00 . A A . 30 TRP HB2 1 1 13 7165 1 1 30 TRP HB3 H 12.561 5.295 -1.109 1.00 . A A . 30 TRP HB3 1 1 13 7166 1 1 30 TRP HD1 H 11.614 5.626 -4.665 1.00 . A A . 30 TRP HD1 1 1 13 7167 1 1 30 TRP HE1 H 12.659 3.693 -6.041 1.00 . A A . 30 TRP HE1 1 1 13 7168 1 1 30 TRP HE3 H 13.038 2.792 -0.879 1.00 . A A . 30 TRP HE3 1 1 13 7169 1 1 30 TRP HH2 H 14.639 -0.152 -3.574 1.00 . A A . 30 TRP HH2 1 1 13 7170 1 1 30 TRP HZ2 H 13.951 1.219 -5.497 1.00 . A A . 30 TRP HZ2 1 1 13 7171 1 1 30 TRP HZ3 H 14.210 0.595 -1.285 1.00 . A A . 30 TRP HZ3 1 1 13 7172 1 1 30 TRP N N 9.337 4.653 -1.992 1.00 . A A . 30 TRP N 1 1 13 7173 1 1 30 TRP NE1 N 12.630 3.723 -5.058 1.00 . A A . 30 TRP NE1 1 1 13 7174 1 1 30 TRP O O 11.195 5.286 1.069 1.00 . A A . 30 TRP O 1 1 13 7175 1 1 31 ASP C C 7.126 6.577 1.529 1.00 . A A . 31 ASP C 1 1 13 7176 1 1 31 ASP CA C 8.583 6.227 1.697 1.00 . A A . 31 ASP CA 1 1 13 7177 1 1 31 ASP CB C 9.407 7.437 2.102 1.00 . A A . 31 ASP CB 1 1 13 7178 1 1 31 ASP CG C 8.890 8.138 3.331 1.00 . A A . 31 ASP CG 1 1 13 7179 1 1 31 ASP H H 8.358 5.620 -0.232 1.00 . A A . 31 ASP H 1 1 13 7180 1 1 31 ASP HA H 8.663 5.458 2.452 1.00 . A A . 31 ASP HA 1 1 13 7181 1 1 31 ASP HB2 H 10.397 7.055 2.300 1.00 . A A . 31 ASP HB2 1 1 13 7182 1 1 31 ASP HB3 H 9.442 8.121 1.268 1.00 . A A . 31 ASP HB3 1 1 13 7183 1 1 31 ASP N N 9.047 5.666 0.462 1.00 . A A . 31 ASP N 1 1 13 7184 1 1 31 ASP O O 6.684 6.874 0.426 1.00 . A A . 31 ASP O 1 1 13 7185 1 1 31 ASP OD1 O 8.675 7.487 4.364 1.00 . A A . 31 ASP OD1 1 1 13 7186 1 1 31 ASP OD2 O 8.696 9.355 3.287 1.00 . A A . 31 ASP OD2 1 1 13 7187 1 1 32 PHE C C 4.564 8.181 2.677 1.00 . A A . 32 PHE C 1 1 13 7188 1 1 32 PHE CA C 4.956 6.704 2.597 1.00 . A A . 32 PHE CA 1 1 13 7189 1 1 32 PHE CB C 4.313 5.911 3.758 1.00 . A A . 32 PHE CB 1 1 13 7190 1 1 32 PHE CD1 C 4.534 7.215 5.914 1.00 . A A . 32 PHE CD1 1 1 13 7191 1 1 32 PHE CD2 C 5.949 5.326 5.587 1.00 . A A . 32 PHE CD2 1 1 13 7192 1 1 32 PHE CE1 C 5.116 7.439 7.142 1.00 . A A . 32 PHE CE1 1 1 13 7193 1 1 32 PHE CE2 C 6.531 5.545 6.816 1.00 . A A . 32 PHE CE2 1 1 13 7194 1 1 32 PHE CG C 4.942 6.158 5.117 1.00 . A A . 32 PHE CG 1 1 13 7195 1 1 32 PHE CZ C 6.117 6.604 7.595 1.00 . A A . 32 PHE CZ 1 1 13 7196 1 1 32 PHE H H 6.886 6.282 3.413 1.00 . A A . 32 PHE H 1 1 13 7197 1 1 32 PHE HA H 4.570 6.302 1.672 1.00 . A A . 32 PHE HA 1 1 13 7198 1 1 32 PHE HB2 H 3.270 6.180 3.829 1.00 . A A . 32 PHE HB2 1 1 13 7199 1 1 32 PHE HB3 H 4.386 4.855 3.542 1.00 . A A . 32 PHE HB3 1 1 13 7200 1 1 32 PHE HD1 H 3.751 7.872 5.562 1.00 . A A . 32 PHE HD1 1 1 13 7201 1 1 32 PHE HD2 H 6.276 4.497 4.978 1.00 . A A . 32 PHE HD2 1 1 13 7202 1 1 32 PHE HE1 H 4.790 8.269 7.751 1.00 . A A . 32 PHE HE1 1 1 13 7203 1 1 32 PHE HE2 H 7.314 4.889 7.169 1.00 . A A . 32 PHE HE2 1 1 13 7204 1 1 32 PHE HZ H 6.572 6.779 8.558 1.00 . A A . 32 PHE HZ 1 1 13 7205 1 1 32 PHE N N 6.401 6.493 2.589 1.00 . A A . 32 PHE N 1 1 13 7206 1 1 32 PHE O O 3.513 8.573 2.166 1.00 . A A . 32 PHE O 1 1 13 7207 1 1 33 THR C C 4.823 11.187 2.311 1.00 . A A . 33 THR C 1 1 13 7208 1 1 33 THR CA C 5.165 10.384 3.574 1.00 . A A . 33 THR CA 1 1 13 7209 1 1 33 THR CB C 6.397 10.994 4.230 1.00 . A A . 33 THR CB 1 1 13 7210 1 1 33 THR CG2 C 6.038 12.244 5.011 1.00 . A A . 33 THR CG2 1 1 13 7211 1 1 33 THR H H 6.294 8.627 3.574 1.00 . A A . 33 THR H 1 1 13 7212 1 1 33 THR HA H 4.348 10.443 4.275 1.00 . A A . 33 THR HA 1 1 13 7213 1 1 33 THR HB H 7.121 11.239 3.467 1.00 . A A . 33 THR HB 1 1 13 7214 1 1 33 THR HG1 H 7.682 9.626 4.622 1.00 . A A . 33 THR HG1 1 1 13 7215 1 1 33 THR HG21 H 6.928 12.661 5.459 1.00 . A A . 33 THR HG21 1 1 13 7216 1 1 33 THR HG22 H 5.333 11.990 5.788 1.00 . A A . 33 THR HG22 1 1 13 7217 1 1 33 THR HG23 H 5.595 12.970 4.345 1.00 . A A . 33 THR HG23 1 1 13 7218 1 1 33 THR N N 5.426 8.978 3.284 1.00 . A A . 33 THR N 1 1 13 7219 1 1 33 THR O O 5.456 11.023 1.250 1.00 . A A . 33 THR O 1 1 13 7220 1 1 33 THR OG1 O 6.953 10.025 5.128 1.00 . A A . 33 THR OG1 1 1 13 7221 1 1 34 PHE C C 3.960 14.253 1.447 1.00 . A A . 34 PHE C 1 1 13 7222 1 1 34 PHE CA C 3.384 12.857 1.325 1.00 . A A . 34 PHE CA 1 1 13 7223 1 1 34 PHE CB C 1.867 12.928 1.302 1.00 . A A . 34 PHE CB 1 1 13 7224 1 1 34 PHE CD1 C 0.595 10.993 2.215 1.00 . A A . 34 PHE CD1 1 1 13 7225 1 1 34 PHE CD2 C 1.251 10.947 -0.066 1.00 . A A . 34 PHE CD2 1 1 13 7226 1 1 34 PHE CE1 C 0.012 9.763 2.074 1.00 . A A . 34 PHE CE1 1 1 13 7227 1 1 34 PHE CE2 C 0.670 9.719 -0.211 1.00 . A A . 34 PHE CE2 1 1 13 7228 1 1 34 PHE CG C 1.219 11.599 1.147 1.00 . A A . 34 PHE CG 1 1 13 7229 1 1 34 PHE CZ C 0.049 9.127 0.859 1.00 . A A . 34 PHE CZ 1 1 13 7230 1 1 34 PHE H H 3.358 12.087 3.283 1.00 . A A . 34 PHE H 1 1 13 7231 1 1 34 PHE HA H 3.723 12.409 0.403 1.00 . A A . 34 PHE HA 1 1 13 7232 1 1 34 PHE HB2 H 1.525 13.356 2.232 1.00 . A A . 34 PHE HB2 1 1 13 7233 1 1 34 PHE HB3 H 1.551 13.558 0.486 1.00 . A A . 34 PHE HB3 1 1 13 7234 1 1 34 PHE HD1 H 0.564 11.498 3.168 1.00 . A A . 34 PHE HD1 1 1 13 7235 1 1 34 PHE HD2 H 1.739 11.415 -0.907 1.00 . A A . 34 PHE HD2 1 1 13 7236 1 1 34 PHE HE1 H -0.475 9.295 2.917 1.00 . A A . 34 PHE HE1 1 1 13 7237 1 1 34 PHE HE2 H 0.698 9.215 -1.164 1.00 . A A . 34 PHE HE2 1 1 13 7238 1 1 34 PHE HZ H -0.412 8.158 0.742 1.00 . A A . 34 PHE HZ 1 1 13 7239 1 1 34 PHE N N 3.826 12.024 2.422 1.00 . A A . 34 PHE N 1 1 13 7240 1 1 34 PHE O O 4.639 14.570 2.427 1.00 . A A . 34 PHE O 1 1 13 7241 1 1 35 THR C C 3.155 17.322 -0.276 1.00 . A A . 35 THR C 1 1 13 7242 1 1 35 THR CA C 4.163 16.434 0.453 1.00 . A A . 35 THR CA 1 1 13 7243 1 1 35 THR CB C 5.557 16.517 -0.236 1.00 . A A . 35 THR CB 1 1 13 7244 1 1 35 THR CG2 C 5.494 16.041 -1.689 1.00 . A A . 35 THR CG2 1 1 13 7245 1 1 35 THR H H 3.102 14.790 -0.263 1.00 . A A . 35 THR H 1 1 13 7246 1 1 35 THR HA H 4.255 16.774 1.474 1.00 . A A . 35 THR HA 1 1 13 7247 1 1 35 THR HB H 6.239 15.880 0.309 1.00 . A A . 35 THR HB 1 1 13 7248 1 1 35 THR HG1 H 6.990 17.829 0.045 1.00 . A A . 35 THR HG1 1 1 13 7249 1 1 35 THR HG21 H 4.802 16.662 -2.239 1.00 . A A . 35 THR HG21 1 1 13 7250 1 1 35 THR HG22 H 5.158 15.016 -1.716 1.00 . A A . 35 THR HG22 1 1 13 7251 1 1 35 THR HG23 H 6.475 16.111 -2.134 1.00 . A A . 35 THR HG23 1 1 13 7252 1 1 35 THR N N 3.677 15.078 0.480 1.00 . A A . 35 THR N 1 1 13 7253 1 1 35 THR O O 2.021 16.875 -0.567 1.00 . A A . 35 THR O 1 1 13 7254 1 1 35 THR OG1 O 6.059 17.857 -0.195 1.00 . A A . 35 THR OG1 1 1 14 7255 1 1 1 ASP C C 7.760 -10.320 0.700 1.00 . A A . 1 ASP C 1 1 14 7256 1 1 1 ASP CA C 8.645 -11.471 0.402 1.00 . A A . 1 ASP CA 1 1 14 7257 1 1 1 ASP CB C 8.938 -11.473 -1.102 1.00 . A A . 1 ASP CB 1 1 14 7258 1 1 1 ASP CG C 9.991 -12.453 -1.503 1.00 . A A . 1 ASP CG 1 1 14 7259 1 1 1 ASP H1 H 7.816 -12.630 1.856 1.00 . A A . 1 ASP H1 1 1 14 7260 1 1 1 ASP H2 H 8.654 -13.521 0.715 1.00 . A A . 1 ASP H2 1 1 14 7261 1 1 1 ASP H3 H 7.114 -12.873 0.340 1.00 . A A . 1 ASP H3 1 1 14 7262 1 1 1 ASP HA H 9.574 -11.351 0.940 1.00 . A A . 1 ASP HA 1 1 14 7263 1 1 1 ASP HB2 H 8.030 -11.719 -1.631 1.00 . A A . 1 ASP HB2 1 1 14 7264 1 1 1 ASP HB3 H 9.252 -10.484 -1.400 1.00 . A A . 1 ASP HB3 1 1 14 7265 1 1 1 ASP N N 8.011 -12.713 0.838 1.00 . A A . 1 ASP N 1 1 14 7266 1 1 1 ASP O O 6.553 -10.489 0.915 1.00 . A A . 1 ASP O 1 1 14 7267 1 1 1 ASP OD1 O 11.192 -12.127 -1.423 1.00 . A A . 1 ASP OD1 1 1 14 7268 1 1 1 ASP OD2 O 9.642 -13.567 -1.921 1.00 . A A . 1 ASP OD2 1 1 14 7269 1 1 2 CYS C C 7.297 -7.397 -0.450 1.00 . A A . 2 CYS C 1 1 14 7270 1 1 2 CYS CA C 7.619 -7.945 0.898 1.00 . A A . 2 CYS CA 1 1 14 7271 1 1 2 CYS CB C 8.457 -6.969 1.667 1.00 . A A . 2 CYS CB 1 1 14 7272 1 1 2 CYS H H 9.314 -9.092 0.622 1.00 . A A . 2 CYS H 1 1 14 7273 1 1 2 CYS HA H 6.689 -8.093 1.423 1.00 . A A . 2 CYS HA 1 1 14 7274 1 1 2 CYS HB2 H 7.989 -6.000 1.568 1.00 . A A . 2 CYS HB2 1 1 14 7275 1 1 2 CYS HB3 H 8.471 -7.244 2.705 1.00 . A A . 2 CYS HB3 1 1 14 7276 1 1 2 CYS N N 8.339 -9.162 0.733 1.00 . A A . 2 CYS N 1 1 14 7277 1 1 2 CYS O O 7.798 -7.890 -1.475 1.00 . A A . 2 CYS O 1 1 14 7278 1 1 2 CYS SG S 10.149 -6.824 1.040 1.00 . A A . 2 CYS SG 1 1 14 7279 1 1 3 ARG C C 7.004 -4.663 -1.994 1.00 . A A . 3 ARG C 1 1 14 7280 1 1 3 ARG CA C 6.081 -5.839 -1.712 1.00 . A A . 3 ARG CA 1 1 14 7281 1 1 3 ARG CB C 4.600 -5.434 -1.667 1.00 . A A . 3 ARG CB 1 1 14 7282 1 1 3 ARG CD C 4.155 -6.016 -4.088 1.00 . A A . 3 ARG CD 1 1 14 7283 1 1 3 ARG CG C 4.034 -4.957 -2.985 1.00 . A A . 3 ARG CG 1 1 14 7284 1 1 3 ARG CZ C 3.169 -8.204 -4.735 1.00 . A A . 3 ARG CZ 1 1 14 7285 1 1 3 ARG H H 6.107 -6.088 0.373 1.00 . A A . 3 ARG H 1 1 14 7286 1 1 3 ARG HA H 6.228 -6.584 -2.479 1.00 . A A . 3 ARG HA 1 1 14 7287 1 1 3 ARG HB2 H 4.018 -6.286 -1.346 1.00 . A A . 3 ARG HB2 1 1 14 7288 1 1 3 ARG HB3 H 4.484 -4.641 -0.944 1.00 . A A . 3 ARG HB3 1 1 14 7289 1 1 3 ARG HD2 H 3.775 -5.615 -5.014 1.00 . A A . 3 ARG HD2 1 1 14 7290 1 1 3 ARG HD3 H 5.198 -6.259 -4.209 1.00 . A A . 3 ARG HD3 1 1 14 7291 1 1 3 ARG HE H 3.098 -7.371 -2.888 1.00 . A A . 3 ARG HE 1 1 14 7292 1 1 3 ARG HG2 H 2.990 -4.713 -2.852 1.00 . A A . 3 ARG HG2 1 1 14 7293 1 1 3 ARG HG3 H 4.574 -4.073 -3.287 1.00 . A A . 3 ARG HG3 1 1 14 7294 1 1 3 ARG HH11 H 4.121 -7.243 -6.292 1.00 . A A . 3 ARG HH11 1 1 14 7295 1 1 3 ARG HH12 H 3.458 -8.744 -6.705 1.00 . A A . 3 ARG HH12 1 1 14 7296 1 1 3 ARG HH21 H 2.128 -9.445 -3.474 1.00 . A A . 3 ARG HH21 1 1 14 7297 1 1 3 ARG HH22 H 2.273 -10.016 -5.064 1.00 . A A . 3 ARG HH22 1 1 14 7298 1 1 3 ARG N N 6.468 -6.432 -0.478 1.00 . A A . 3 ARG N 1 1 14 7299 1 1 3 ARG NE N 3.417 -7.255 -3.812 1.00 . A A . 3 ARG NE 1 1 14 7300 1 1 3 ARG NH1 N 3.606 -8.052 -5.994 1.00 . A A . 3 ARG NH1 1 1 14 7301 1 1 3 ARG NH2 N 2.481 -9.291 -4.402 1.00 . A A . 3 ARG NH2 1 1 14 7302 1 1 3 ARG O O 7.196 -3.783 -1.132 1.00 . A A . 3 ARG O 1 1 14 7303 1 1 4 TYR C C 7.848 -2.541 -4.247 1.00 . A A . 4 TYR C 1 1 14 7304 1 1 4 TYR CA C 8.555 -3.704 -3.546 1.00 . A A . 4 TYR CA 1 1 14 7305 1 1 4 TYR CB C 9.589 -4.348 -4.448 1.00 . A A . 4 TYR CB 1 1 14 7306 1 1 4 TYR CD1 C 10.147 -6.782 -4.005 1.00 . A A . 4 TYR CD1 1 1 14 7307 1 1 4 TYR CD2 C 11.483 -5.121 -2.941 1.00 . A A . 4 TYR CD2 1 1 14 7308 1 1 4 TYR CE1 C 10.906 -7.773 -3.421 1.00 . A A . 4 TYR CE1 1 1 14 7309 1 1 4 TYR CE2 C 12.242 -6.108 -2.352 1.00 . A A . 4 TYR CE2 1 1 14 7310 1 1 4 TYR CG C 10.420 -5.437 -3.782 1.00 . A A . 4 TYR CG 1 1 14 7311 1 1 4 TYR CZ C 11.952 -7.432 -2.598 1.00 . A A . 4 TYR CZ 1 1 14 7312 1 1 4 TYR H H 7.483 -5.390 -3.821 1.00 . A A . 4 TYR H 1 1 14 7313 1 1 4 TYR HA H 9.054 -3.337 -2.663 1.00 . A A . 4 TYR HA 1 1 14 7314 1 1 4 TYR HB2 H 9.087 -4.784 -5.297 1.00 . A A . 4 TYR HB2 1 1 14 7315 1 1 4 TYR HB3 H 10.248 -3.579 -4.797 1.00 . A A . 4 TYR HB3 1 1 14 7316 1 1 4 TYR HD1 H 9.326 -7.052 -4.652 1.00 . A A . 4 TYR HD1 1 1 14 7317 1 1 4 TYR HD2 H 11.722 -4.090 -2.718 1.00 . A A . 4 TYR HD2 1 1 14 7318 1 1 4 TYR HE1 H 10.676 -8.812 -3.610 1.00 . A A . 4 TYR HE1 1 1 14 7319 1 1 4 TYR HE2 H 13.060 -5.830 -1.706 1.00 . A A . 4 TYR HE2 1 1 14 7320 1 1 4 TYR HH H 12.923 -9.076 -2.698 1.00 . A A . 4 TYR HH 1 1 14 7321 1 1 4 TYR N N 7.624 -4.689 -3.151 1.00 . A A . 4 TYR N 1 1 14 7322 1 1 4 TYR O O 6.609 -2.434 -4.204 1.00 . A A . 4 TYR O 1 1 14 7323 1 1 4 TYR OH O 12.718 -8.426 -2.012 1.00 . A A . 4 TYR OH 1 1 14 7324 1 1 5 MET C C 7.104 -0.751 -6.585 1.00 . A A . 5 MET C 1 1 14 7325 1 1 5 MET CA C 8.089 -0.458 -5.475 1.00 . A A . 5 MET CA 1 1 14 7326 1 1 5 MET CB C 9.205 0.455 -5.985 1.00 . A A . 5 MET CB 1 1 14 7327 1 1 5 MET CE C 9.352 4.574 -6.382 1.00 . A A . 5 MET CE 1 1 14 7328 1 1 5 MET CG C 8.782 1.903 -6.101 1.00 . A A . 5 MET CG 1 1 14 7329 1 1 5 MET H H 9.579 -1.871 -4.988 1.00 . A A . 5 MET H 1 1 14 7330 1 1 5 MET HA H 7.546 0.071 -4.705 1.00 . A A . 5 MET HA 1 1 14 7331 1 1 5 MET HB2 H 10.057 0.407 -5.325 1.00 . A A . 5 MET HB2 1 1 14 7332 1 1 5 MET HB3 H 9.506 0.119 -6.967 1.00 . A A . 5 MET HB3 1 1 14 7333 1 1 5 MET HE1 H 8.412 4.657 -6.907 1.00 . A A . 5 MET HE1 1 1 14 7334 1 1 5 MET HE2 H 10.033 5.344 -6.714 1.00 . A A . 5 MET HE2 1 1 14 7335 1 1 5 MET HE3 H 9.195 4.677 -5.318 1.00 . A A . 5 MET HE3 1 1 14 7336 1 1 5 MET HG2 H 7.952 1.968 -6.788 1.00 . A A . 5 MET HG2 1 1 14 7337 1 1 5 MET HG3 H 8.466 2.238 -5.125 1.00 . A A . 5 MET HG3 1 1 14 7338 1 1 5 MET N N 8.622 -1.679 -4.893 1.00 . A A . 5 MET N 1 1 14 7339 1 1 5 MET O O 7.302 -1.682 -7.373 1.00 . A A . 5 MET O 1 1 14 7340 1 1 5 MET SD S 10.092 2.972 -6.684 1.00 . A A . 5 MET SD 1 1 14 7341 1 1 6 PHE C C 4.046 -1.252 -7.352 1.00 . A A . 6 PHE C 1 1 14 7342 1 1 6 PHE CA C 4.932 -0.046 -7.589 1.00 . A A . 6 PHE CA 1 1 14 7343 1 1 6 PHE CB C 5.438 0.026 -9.040 1.00 . A A . 6 PHE CB 1 1 14 7344 1 1 6 PHE CD1 C 5.588 2.493 -9.459 1.00 . A A . 6 PHE CD1 1 1 14 7345 1 1 6 PHE CD2 C 7.595 1.221 -9.429 1.00 . A A . 6 PHE CD2 1 1 14 7346 1 1 6 PHE CE1 C 6.317 3.641 -9.696 1.00 . A A . 6 PHE CE1 1 1 14 7347 1 1 6 PHE CE2 C 8.328 2.356 -9.666 1.00 . A A . 6 PHE CE2 1 1 14 7348 1 1 6 PHE CG C 6.222 1.272 -9.322 1.00 . A A . 6 PHE CG 1 1 14 7349 1 1 6 PHE CZ C 7.691 3.573 -9.799 1.00 . A A . 6 PHE CZ 1 1 14 7350 1 1 6 PHE H H 5.943 0.704 -5.882 1.00 . A A . 6 PHE H 1 1 14 7351 1 1 6 PHE HA H 4.315 0.821 -7.395 1.00 . A A . 6 PHE HA 1 1 14 7352 1 1 6 PHE HB2 H 6.076 -0.823 -9.235 1.00 . A A . 6 PHE HB2 1 1 14 7353 1 1 6 PHE HB3 H 4.591 -0.001 -9.711 1.00 . A A . 6 PHE HB3 1 1 14 7354 1 1 6 PHE HD1 H 4.512 2.541 -9.374 1.00 . A A . 6 PHE HD1 1 1 14 7355 1 1 6 PHE HD2 H 8.096 0.271 -9.325 1.00 . A A . 6 PHE HD2 1 1 14 7356 1 1 6 PHE HE1 H 5.812 4.590 -9.801 1.00 . A A . 6 PHE HE1 1 1 14 7357 1 1 6 PHE HE2 H 9.402 2.281 -9.731 1.00 . A A . 6 PHE HE2 1 1 14 7358 1 1 6 PHE HZ H 8.264 4.468 -9.984 1.00 . A A . 6 PHE HZ 1 1 14 7359 1 1 6 PHE N N 6.022 0.033 -6.597 1.00 . A A . 6 PHE N 1 1 14 7360 1 1 6 PHE O O 3.159 -1.562 -8.152 1.00 . A A . 6 PHE O 1 1 14 7361 1 1 7 GLY C C 2.378 -2.510 -4.912 1.00 . A A . 7 GLY C 1 1 14 7362 1 1 7 GLY CA C 3.449 -2.993 -5.849 1.00 . A A . 7 GLY CA 1 1 14 7363 1 1 7 GLY H H 5.023 -1.648 -5.669 1.00 . A A . 7 GLY H 1 1 14 7364 1 1 7 GLY HA2 H 3.002 -3.446 -6.721 1.00 . A A . 7 GLY HA2 1 1 14 7365 1 1 7 GLY HA3 H 4.062 -3.713 -5.330 1.00 . A A . 7 GLY HA3 1 1 14 7366 1 1 7 GLY N N 4.270 -1.905 -6.242 1.00 . A A . 7 GLY N 1 1 14 7367 1 1 7 GLY O O 2.629 -1.607 -4.120 1.00 . A A . 7 GLY O 1 1 14 7368 1 1 8 ASP C C 0.207 -2.904 -2.753 1.00 . A A . 8 ASP C 1 1 14 7369 1 1 8 ASP CA C 0.033 -2.698 -4.221 1.00 . A A . 8 ASP CA 1 1 14 7370 1 1 8 ASP CB C -1.193 -3.435 -4.707 1.00 . A A . 8 ASP CB 1 1 14 7371 1 1 8 ASP CG C -2.435 -3.247 -3.856 1.00 . A A . 8 ASP CG 1 1 14 7372 1 1 8 ASP H H 1.133 -3.861 -5.617 1.00 . A A . 8 ASP H 1 1 14 7373 1 1 8 ASP HA H -0.126 -1.644 -4.397 1.00 . A A . 8 ASP HA 1 1 14 7374 1 1 8 ASP HB2 H -1.400 -2.998 -5.665 1.00 . A A . 8 ASP HB2 1 1 14 7375 1 1 8 ASP HB3 H -0.970 -4.486 -4.805 1.00 . A A . 8 ASP HB3 1 1 14 7376 1 1 8 ASP N N 1.213 -3.101 -5.004 1.00 . A A . 8 ASP N 1 1 14 7377 1 1 8 ASP O O 0.812 -3.893 -2.309 1.00 . A A . 8 ASP O 1 1 14 7378 1 1 8 ASP OD1 O -2.846 -4.200 -3.160 1.00 . A A . 8 ASP OD1 1 1 14 7379 1 1 8 ASP OD2 O -3.034 -2.167 -3.886 1.00 . A A . 8 ASP OD2 1 1 14 7380 1 1 9 CYS C C -1.404 -1.439 0.097 1.00 . A A . 9 CYS C 1 1 14 7381 1 1 9 CYS CA C -0.200 -2.059 -0.589 1.00 . A A . 9 CYS CA 1 1 14 7382 1 1 9 CYS CB C 1.074 -1.336 -0.199 1.00 . A A . 9 CYS CB 1 1 14 7383 1 1 9 CYS H H -0.853 -1.273 -2.409 1.00 . A A . 9 CYS H 1 1 14 7384 1 1 9 CYS HA H -0.107 -3.093 -0.294 1.00 . A A . 9 CYS HA 1 1 14 7385 1 1 9 CYS HB2 H 1.339 -1.537 0.826 1.00 . A A . 9 CYS HB2 1 1 14 7386 1 1 9 CYS HB3 H 1.811 -1.747 -0.874 1.00 . A A . 9 CYS HB3 1 1 14 7387 1 1 9 CYS N N -0.338 -2.004 -1.998 1.00 . A A . 9 CYS N 1 1 14 7388 1 1 9 CYS O O -2.080 -0.544 -0.463 1.00 . A A . 9 CYS O 1 1 14 7389 1 1 9 CYS SG S 1.041 0.476 -0.480 1.00 . A A . 9 CYS SG 1 1 14 7390 1 1 10 GLU C C -2.160 -0.752 3.293 1.00 . A A . 10 GLU C 1 1 14 7391 1 1 10 GLU CA C -2.768 -1.385 2.069 1.00 . A A . 10 GLU CA 1 1 14 7392 1 1 10 GLU CB C -3.746 -2.467 2.474 1.00 . A A . 10 GLU CB 1 1 14 7393 1 1 10 GLU CD C -5.335 -4.233 1.755 1.00 . A A . 10 GLU CD 1 1 14 7394 1 1 10 GLU CG C -4.487 -3.090 1.314 1.00 . A A . 10 GLU CG 1 1 14 7395 1 1 10 GLU H H -1.213 -2.707 1.620 1.00 . A A . 10 GLU H 1 1 14 7396 1 1 10 GLU HA H -3.283 -0.634 1.489 1.00 . A A . 10 GLU HA 1 1 14 7397 1 1 10 GLU HB2 H -3.202 -3.248 2.987 1.00 . A A . 10 GLU HB2 1 1 14 7398 1 1 10 GLU HB3 H -4.469 -2.043 3.154 1.00 . A A . 10 GLU HB3 1 1 14 7399 1 1 10 GLU HG2 H -5.121 -2.342 0.862 1.00 . A A . 10 GLU HG2 1 1 14 7400 1 1 10 GLU HG3 H -3.771 -3.443 0.586 1.00 . A A . 10 GLU HG3 1 1 14 7401 1 1 10 GLU N N -1.714 -1.934 1.266 1.00 . A A . 10 GLU N 1 1 14 7402 1 1 10 GLU O O -2.618 0.286 3.772 1.00 . A A . 10 GLU O 1 1 14 7403 1 1 10 GLU OE1 O -6.537 -4.042 2.012 1.00 . A A . 10 GLU OE1 1 1 14 7404 1 1 10 GLU OE2 O -4.805 -5.356 1.882 1.00 . A A . 10 GLU OE2 1 1 14 7405 1 1 11 LYS C C 1.067 -0.963 4.650 1.00 . A A . 11 LYS C 1 1 14 7406 1 1 11 LYS CA C -0.404 -0.920 4.926 1.00 . A A . 11 LYS CA 1 1 14 7407 1 1 11 LYS CB C -0.767 -1.773 6.152 1.00 . A A . 11 LYS CB 1 1 14 7408 1 1 11 LYS CD C -1.211 -4.056 7.133 1.00 . A A . 11 LYS CD 1 1 14 7409 1 1 11 LYS CE C -1.525 -5.521 6.825 1.00 . A A . 11 LYS CE 1 1 14 7410 1 1 11 LYS CG C -0.831 -3.278 5.885 1.00 . A A . 11 LYS CG 1 1 14 7411 1 1 11 LYS H H -0.736 -2.178 3.346 1.00 . A A . 11 LYS H 1 1 14 7412 1 1 11 LYS HA H -0.696 0.103 5.112 1.00 . A A . 11 LYS HA 1 1 14 7413 1 1 11 LYS HB2 H -0.007 -1.606 6.901 1.00 . A A . 11 LYS HB2 1 1 14 7414 1 1 11 LYS HB3 H -1.717 -1.441 6.540 1.00 . A A . 11 LYS HB3 1 1 14 7415 1 1 11 LYS HD2 H -0.390 -4.018 7.833 1.00 . A A . 11 LYS HD2 1 1 14 7416 1 1 11 LYS HD3 H -2.081 -3.595 7.576 1.00 . A A . 11 LYS HD3 1 1 14 7417 1 1 11 LYS HE2 H -1.802 -6.017 7.744 1.00 . A A . 11 LYS HE2 1 1 14 7418 1 1 11 LYS HE3 H -2.362 -5.553 6.144 1.00 . A A . 11 LYS HE3 1 1 14 7419 1 1 11 LYS HG2 H -1.568 -3.465 5.119 1.00 . A A . 11 LYS HG2 1 1 14 7420 1 1 11 LYS HG3 H 0.137 -3.613 5.538 1.00 . A A . 11 LYS HG3 1 1 14 7421 1 1 11 LYS HZ1 H 0.430 -6.292 6.867 1.00 . A A . 11 LYS HZ1 1 1 14 7422 1 1 11 LYS HZ2 H -0.094 -5.868 5.299 1.00 . A A . 11 LYS HZ2 1 1 14 7423 1 1 11 LYS HZ3 H -0.683 -7.235 6.054 1.00 . A A . 11 LYS HZ3 1 1 14 7424 1 1 11 LYS N N -1.107 -1.372 3.778 1.00 . A A . 11 LYS N 1 1 14 7425 1 1 11 LYS NZ N -0.386 -6.253 6.225 1.00 . A A . 11 LYS NZ 1 1 14 7426 1 1 11 LYS O O 1.508 -1.668 3.739 1.00 . A A . 11 LYS O 1 1 14 7427 1 1 12 ASP C C 3.960 -1.498 5.475 1.00 . A A . 12 ASP C 1 1 14 7428 1 1 12 ASP CA C 3.289 -0.167 5.281 1.00 . A A . 12 ASP CA 1 1 14 7429 1 1 12 ASP CB C 3.910 0.848 6.232 1.00 . A A . 12 ASP CB 1 1 14 7430 1 1 12 ASP CG C 3.700 2.274 5.819 1.00 . A A . 12 ASP CG 1 1 14 7431 1 1 12 ASP H H 1.396 0.234 6.183 1.00 . A A . 12 ASP H 1 1 14 7432 1 1 12 ASP HA H 3.476 0.158 4.268 1.00 . A A . 12 ASP HA 1 1 14 7433 1 1 12 ASP HB2 H 3.478 0.723 7.212 1.00 . A A . 12 ASP HB2 1 1 14 7434 1 1 12 ASP HB3 H 4.970 0.657 6.283 1.00 . A A . 12 ASP HB3 1 1 14 7435 1 1 12 ASP N N 1.830 -0.257 5.449 1.00 . A A . 12 ASP N 1 1 14 7436 1 1 12 ASP O O 5.068 -1.724 4.997 1.00 . A A . 12 ASP O 1 1 14 7437 1 1 12 ASP OD1 O 4.442 2.744 4.953 1.00 . A A . 12 ASP OD1 1 1 14 7438 1 1 12 ASP OD2 O 2.805 2.952 6.380 1.00 . A A . 12 ASP OD2 1 1 14 7439 1 1 13 GLU C C 3.878 -4.563 5.212 1.00 . A A . 13 GLU C 1 1 14 7440 1 1 13 GLU CA C 3.762 -3.721 6.439 1.00 . A A . 13 GLU CA 1 1 14 7441 1 1 13 GLU CB C 2.832 -4.409 7.377 1.00 . A A . 13 GLU CB 1 1 14 7442 1 1 13 GLU CD C 1.809 -4.458 9.632 1.00 . A A . 13 GLU CD 1 1 14 7443 1 1 13 GLU CG C 2.664 -3.692 8.684 1.00 . A A . 13 GLU CG 1 1 14 7444 1 1 13 GLU H H 2.330 -2.152 6.356 1.00 . A A . 13 GLU H 1 1 14 7445 1 1 13 GLU HA H 4.724 -3.621 6.917 1.00 . A A . 13 GLU HA 1 1 14 7446 1 1 13 GLU HB2 H 1.885 -4.491 6.861 1.00 . A A . 13 GLU HB2 1 1 14 7447 1 1 13 GLU HB3 H 3.208 -5.404 7.557 1.00 . A A . 13 GLU HB3 1 1 14 7448 1 1 13 GLU HG2 H 3.634 -3.526 9.126 1.00 . A A . 13 GLU HG2 1 1 14 7449 1 1 13 GLU HG3 H 2.196 -2.739 8.489 1.00 . A A . 13 GLU HG3 1 1 14 7450 1 1 13 GLU N N 3.249 -2.399 6.116 1.00 . A A . 13 GLU N 1 1 14 7451 1 1 13 GLU O O 4.624 -5.539 5.175 1.00 . A A . 13 GLU O 1 1 14 7452 1 1 13 GLU OE1 O 2.268 -5.504 10.161 1.00 . A A . 13 GLU OE1 1 1 14 7453 1 1 13 GLU OE2 O 0.676 -4.049 9.863 1.00 . A A . 13 GLU OE2 1 1 14 7454 1 1 14 ASP C C 4.381 -4.635 2.233 1.00 . A A . 14 ASP C 1 1 14 7455 1 1 14 ASP CA C 3.114 -4.927 2.999 1.00 . A A . 14 ASP CA 1 1 14 7456 1 1 14 ASP CB C 1.875 -4.598 2.155 1.00 . A A . 14 ASP CB 1 1 14 7457 1 1 14 ASP CG C 0.557 -4.787 2.891 1.00 . A A . 14 ASP CG 1 1 14 7458 1 1 14 ASP H H 2.579 -3.384 4.292 1.00 . A A . 14 ASP H 1 1 14 7459 1 1 14 ASP HA H 3.101 -5.976 3.251 1.00 . A A . 14 ASP HA 1 1 14 7460 1 1 14 ASP HB2 H 1.925 -3.587 1.782 1.00 . A A . 14 ASP HB2 1 1 14 7461 1 1 14 ASP HB3 H 1.888 -5.293 1.334 1.00 . A A . 14 ASP HB3 1 1 14 7462 1 1 14 ASP N N 3.130 -4.193 4.215 1.00 . A A . 14 ASP N 1 1 14 7463 1 1 14 ASP O O 4.929 -5.501 1.565 1.00 . A A . 14 ASP O 1 1 14 7464 1 1 14 ASP OD1 O 0.428 -5.761 3.690 1.00 . A A . 14 ASP OD1 1 1 14 7465 1 1 14 ASP OD2 O -0.394 -3.985 2.667 1.00 . A A . 14 ASP OD2 1 1 14 7466 1 1 15 CYS C C 7.297 -3.360 2.524 1.00 . A A . 15 CYS C 1 1 14 7467 1 1 15 CYS CA C 6.069 -3.019 1.714 1.00 . A A . 15 CYS CA 1 1 14 7468 1 1 15 CYS CB C 6.035 -1.523 1.472 1.00 . A A . 15 CYS CB 1 1 14 7469 1 1 15 CYS H H 4.475 -2.825 3.049 1.00 . A A . 15 CYS H 1 1 14 7470 1 1 15 CYS HA H 6.109 -3.526 0.762 1.00 . A A . 15 CYS HA 1 1 14 7471 1 1 15 CYS HB2 H 6.259 -1.004 2.388 1.00 . A A . 15 CYS HB2 1 1 14 7472 1 1 15 CYS HB3 H 6.811 -1.284 0.759 1.00 . A A . 15 CYS HB3 1 1 14 7473 1 1 15 CYS N N 4.889 -3.440 2.410 1.00 . A A . 15 CYS N 1 1 14 7474 1 1 15 CYS O O 7.227 -3.543 3.745 1.00 . A A . 15 CYS O 1 1 14 7475 1 1 15 CYS SG S 4.461 -0.936 0.785 1.00 . A A . 15 CYS SG 1 1 14 7476 1 1 16 CYS C C 10.175 -2.609 3.347 1.00 . A A . 16 CYS C 1 1 14 7477 1 1 16 CYS CA C 9.702 -3.745 2.409 1.00 . A A . 16 CYS CA 1 1 14 7478 1 1 16 CYS CB C 10.673 -3.903 1.268 1.00 . A A . 16 CYS CB 1 1 14 7479 1 1 16 CYS H H 8.315 -3.496 0.857 1.00 . A A . 16 CYS H 1 1 14 7480 1 1 16 CYS HA H 9.670 -4.677 2.953 1.00 . A A . 16 CYS HA 1 1 14 7481 1 1 16 CYS HB2 H 10.864 -2.941 0.825 1.00 . A A . 16 CYS HB2 1 1 14 7482 1 1 16 CYS HB3 H 11.616 -4.277 1.623 1.00 . A A . 16 CYS HB3 1 1 14 7483 1 1 16 CYS N N 8.388 -3.496 1.834 1.00 . A A . 16 CYS N 1 1 14 7484 1 1 16 CYS O O 9.522 -1.555 3.471 1.00 . A A . 16 CYS O 1 1 14 7485 1 1 16 CYS SG S 10.102 -5.077 0.032 1.00 . A A . 16 CYS SG 1 1 14 7486 1 1 17 LYS C C 12.291 -0.601 4.294 1.00 . A A . 17 LYS C 1 1 14 7487 1 1 17 LYS CA C 11.933 -1.900 4.945 1.00 . A A . 17 LYS CA 1 1 14 7488 1 1 17 LYS CB C 13.234 -2.487 5.486 1.00 . A A . 17 LYS CB 1 1 14 7489 1 1 17 LYS CD C 14.468 -4.378 6.516 1.00 . A A . 17 LYS CD 1 1 14 7490 1 1 17 LYS CE C 14.393 -5.819 7.006 1.00 . A A . 17 LYS CE 1 1 14 7491 1 1 17 LYS CG C 13.121 -3.872 6.013 1.00 . A A . 17 LYS CG 1 1 14 7492 1 1 17 LYS H H 11.836 -3.624 3.686 1.00 . A A . 17 LYS H 1 1 14 7493 1 1 17 LYS HA H 11.248 -1.748 5.765 1.00 . A A . 17 LYS HA 1 1 14 7494 1 1 17 LYS HB2 H 13.963 -2.498 4.692 1.00 . A A . 17 LYS HB2 1 1 14 7495 1 1 17 LYS HB3 H 13.595 -1.847 6.277 1.00 . A A . 17 LYS HB3 1 1 14 7496 1 1 17 LYS HD2 H 15.186 -4.322 5.711 1.00 . A A . 17 LYS HD2 1 1 14 7497 1 1 17 LYS HD3 H 14.794 -3.746 7.330 1.00 . A A . 17 LYS HD3 1 1 14 7498 1 1 17 LYS HE2 H 15.381 -6.127 7.316 1.00 . A A . 17 LYS HE2 1 1 14 7499 1 1 17 LYS HE3 H 13.727 -5.868 7.854 1.00 . A A . 17 LYS HE3 1 1 14 7500 1 1 17 LYS HG2 H 12.388 -3.825 6.798 1.00 . A A . 17 LYS HG2 1 1 14 7501 1 1 17 LYS HG3 H 12.758 -4.513 5.226 1.00 . A A . 17 LYS HG3 1 1 14 7502 1 1 17 LYS HZ1 H 14.532 -6.702 5.112 1.00 . A A . 17 LYS HZ1 1 1 14 7503 1 1 17 LYS HZ2 H 12.945 -6.535 5.660 1.00 . A A . 17 LYS HZ2 1 1 14 7504 1 1 17 LYS HZ3 H 13.932 -7.726 6.304 1.00 . A A . 17 LYS HZ3 1 1 14 7505 1 1 17 LYS N N 11.341 -2.818 3.946 1.00 . A A . 17 LYS N 1 1 14 7506 1 1 17 LYS NZ N 13.920 -6.748 5.953 1.00 . A A . 17 LYS NZ 1 1 14 7507 1 1 17 LYS O O 11.975 0.489 4.777 1.00 . A A . 17 LYS O 1 1 14 7508 1 1 18 HIS C C 12.338 1.179 1.717 1.00 . A A . 18 HIS C 1 1 14 7509 1 1 18 HIS CA C 13.460 0.382 2.376 1.00 . A A . 18 HIS CA 1 1 14 7510 1 1 18 HIS CB C 14.423 -0.120 1.276 1.00 . A A . 18 HIS CB 1 1 14 7511 1 1 18 HIS CD2 C 16.082 -1.348 2.861 1.00 . A A . 18 HIS CD2 1 1 14 7512 1 1 18 HIS CE1 C 17.895 -1.081 1.717 1.00 . A A . 18 HIS CE1 1 1 14 7513 1 1 18 HIS CG C 15.751 -0.638 1.755 1.00 . A A . 18 HIS CG 1 1 14 7514 1 1 18 HIS H H 13.133 -1.677 2.943 1.00 . A A . 18 HIS H 1 1 14 7515 1 1 18 HIS HA H 14.015 1.041 3.028 1.00 . A A . 18 HIS HA 1 1 14 7516 1 1 18 HIS HB2 H 13.949 -0.916 0.723 1.00 . A A . 18 HIS HB2 1 1 14 7517 1 1 18 HIS HB3 H 14.613 0.698 0.597 1.00 . A A . 18 HIS HB3 1 1 14 7518 1 1 18 HIS HD1 H 17.022 -0.012 0.194 1.00 . A A . 18 HIS HD1 1 1 14 7519 1 1 18 HIS HD2 H 15.407 -1.645 3.649 1.00 . A A . 18 HIS HD2 1 1 14 7520 1 1 18 HIS HE1 H 18.922 -1.109 1.390 1.00 . A A . 18 HIS HE1 1 1 14 7521 1 1 18 HIS N N 12.959 -0.740 3.189 1.00 . A A . 18 HIS N 1 1 14 7522 1 1 18 HIS ND1 N 16.918 -0.482 1.051 1.00 . A A . 18 HIS ND1 1 1 14 7523 1 1 18 HIS NE2 N 17.441 -1.630 2.836 1.00 . A A . 18 HIS NE2 1 1 14 7524 1 1 18 HIS O O 12.594 2.164 1.033 1.00 . A A . 18 HIS O 1 1 14 7525 1 1 19 LEU C C 8.911 1.750 2.252 1.00 . A A . 19 LEU C 1 1 14 7526 1 1 19 LEU CA C 10.003 1.401 1.269 1.00 . A A . 19 LEU CA 1 1 14 7527 1 1 19 LEU CB C 9.434 0.505 0.150 1.00 . A A . 19 LEU CB 1 1 14 7528 1 1 19 LEU CD1 C 11.266 -0.937 -0.850 1.00 . A A . 19 LEU CD1 1 1 14 7529 1 1 19 LEU CD2 C 9.504 0.043 -2.292 1.00 . A A . 19 LEU CD2 1 1 14 7530 1 1 19 LEU CG C 10.335 0.240 -1.064 1.00 . A A . 19 LEU CG 1 1 14 7531 1 1 19 LEU H H 10.924 0.046 2.555 1.00 . A A . 19 LEU H 1 1 14 7532 1 1 19 LEU HA H 10.332 2.332 0.824 1.00 . A A . 19 LEU HA 1 1 14 7533 1 1 19 LEU HB2 H 9.200 -0.451 0.595 1.00 . A A . 19 LEU HB2 1 1 14 7534 1 1 19 LEU HB3 H 8.509 0.942 -0.194 1.00 . A A . 19 LEU HB3 1 1 14 7535 1 1 19 LEU HD11 H 11.939 -1.020 -1.690 1.00 . A A . 19 LEU HD11 1 1 14 7536 1 1 19 LEU HD12 H 10.667 -1.833 -0.798 1.00 . A A . 19 LEU HD12 1 1 14 7537 1 1 19 LEU HD13 H 11.824 -0.804 0.065 1.00 . A A . 19 LEU HD13 1 1 14 7538 1 1 19 LEU HD21 H 8.923 0.934 -2.483 1.00 . A A . 19 LEU HD21 1 1 14 7539 1 1 19 LEU HD22 H 8.844 -0.799 -2.145 1.00 . A A . 19 LEU HD22 1 1 14 7540 1 1 19 LEU HD23 H 10.151 -0.151 -3.134 1.00 . A A . 19 LEU HD23 1 1 14 7541 1 1 19 LEU HG H 10.955 1.111 -1.223 1.00 . A A . 19 LEU HG 1 1 14 7542 1 1 19 LEU N N 11.113 0.771 1.920 1.00 . A A . 19 LEU N 1 1 14 7543 1 1 19 LEU O O 9.008 1.457 3.449 1.00 . A A . 19 LEU O 1 1 14 7544 1 1 20 GLY C C 5.559 2.647 1.624 1.00 . A A . 20 GLY C 1 1 14 7545 1 1 20 GLY CA C 6.763 2.751 2.502 1.00 . A A . 20 GLY CA 1 1 14 7546 1 1 20 GLY H H 7.910 2.626 0.788 1.00 . A A . 20 GLY H 1 1 14 7547 1 1 20 GLY HA2 H 6.667 2.090 3.351 1.00 . A A . 20 GLY HA2 1 1 14 7548 1 1 20 GLY HA3 H 6.871 3.771 2.836 1.00 . A A . 20 GLY HA3 1 1 14 7549 1 1 20 GLY N N 7.906 2.387 1.744 1.00 . A A . 20 GLY N 1 1 14 7550 1 1 20 GLY O O 5.699 2.641 0.388 1.00 . A A . 20 GLY O 1 1 14 7551 1 1 21 CYS C C 2.577 3.740 1.144 1.00 . A A . 21 CYS C 1 1 14 7552 1 1 21 CYS CA C 3.206 2.400 1.428 1.00 . A A . 21 CYS CA 1 1 14 7553 1 1 21 CYS CB C 2.210 1.486 2.165 1.00 . A A . 21 CYS CB 1 1 14 7554 1 1 21 CYS H H 4.350 2.645 3.187 1.00 . A A . 21 CYS H 1 1 14 7555 1 1 21 CYS HA H 3.470 1.933 0.492 1.00 . A A . 21 CYS HA 1 1 14 7556 1 1 21 CYS HB2 H 2.649 0.505 2.260 1.00 . A A . 21 CYS HB2 1 1 14 7557 1 1 21 CYS HB3 H 2.024 1.881 3.154 1.00 . A A . 21 CYS HB3 1 1 14 7558 1 1 21 CYS N N 4.410 2.564 2.202 1.00 . A A . 21 CYS N 1 1 14 7559 1 1 21 CYS O O 2.268 4.491 2.066 1.00 . A A . 21 CYS O 1 1 14 7560 1 1 21 CYS SG S 0.586 1.264 1.340 1.00 . A A . 21 CYS SG 1 1 14 7561 1 1 22 LYS C C 0.302 4.940 -0.516 1.00 . A A . 22 LYS C 1 1 14 7562 1 1 22 LYS CA C 1.720 5.264 -0.474 1.00 . A A . 22 LYS CA 1 1 14 7563 1 1 22 LYS CB C 2.138 5.843 -1.809 1.00 . A A . 22 LYS CB 1 1 14 7564 1 1 22 LYS CD C 3.652 7.595 -0.915 1.00 . A A . 22 LYS CD 1 1 14 7565 1 1 22 LYS CE C 5.091 8.051 -0.852 1.00 . A A . 22 LYS CE 1 1 14 7566 1 1 22 LYS CG C 3.515 6.381 -1.810 1.00 . A A . 22 LYS CG 1 1 14 7567 1 1 22 LYS H H 2.762 3.488 -0.836 1.00 . A A . 22 LYS H 1 1 14 7568 1 1 22 LYS HA H 1.887 5.993 0.304 1.00 . A A . 22 LYS HA 1 1 14 7569 1 1 22 LYS HB2 H 2.079 5.064 -2.556 1.00 . A A . 22 LYS HB2 1 1 14 7570 1 1 22 LYS HB3 H 1.456 6.635 -2.073 1.00 . A A . 22 LYS HB3 1 1 14 7571 1 1 22 LYS HD2 H 3.042 8.395 -1.307 1.00 . A A . 22 LYS HD2 1 1 14 7572 1 1 22 LYS HD3 H 3.320 7.346 0.082 1.00 . A A . 22 LYS HD3 1 1 14 7573 1 1 22 LYS HE2 H 5.684 7.264 -0.409 1.00 . A A . 22 LYS HE2 1 1 14 7574 1 1 22 LYS HE3 H 5.441 8.239 -1.855 1.00 . A A . 22 LYS HE3 1 1 14 7575 1 1 22 LYS HG2 H 4.103 5.586 -1.390 1.00 . A A . 22 LYS HG2 1 1 14 7576 1 1 22 LYS HG3 H 3.803 6.617 -2.822 1.00 . A A . 22 LYS HG3 1 1 14 7577 1 1 22 LYS HZ1 H 4.836 10.090 -0.531 1.00 . A A . 22 LYS HZ1 1 1 14 7578 1 1 22 LYS HZ2 H 6.261 9.427 0.166 1.00 . A A . 22 LYS HZ2 1 1 14 7579 1 1 22 LYS HZ3 H 4.752 9.135 0.861 1.00 . A A . 22 LYS HZ3 1 1 14 7580 1 1 22 LYS N N 2.426 4.073 -0.122 1.00 . A A . 22 LYS N 1 1 14 7581 1 1 22 LYS NZ N 5.249 9.268 -0.045 1.00 . A A . 22 LYS NZ 1 1 14 7582 1 1 22 LYS O O -0.174 4.299 -1.457 1.00 . A A . 22 LYS O 1 1 14 7583 1 1 23 ARG C C -2.577 5.962 -0.347 1.00 . A A . 23 ARG C 1 1 14 7584 1 1 23 ARG CA C -1.777 5.126 0.612 1.00 . A A . 23 ARG CA 1 1 14 7585 1 1 23 ARG CB C -2.263 5.363 2.064 1.00 . A A . 23 ARG CB 1 1 14 7586 1 1 23 ARG CD C -0.250 5.698 3.574 1.00 . A A . 23 ARG CD 1 1 14 7587 1 1 23 ARG CG C -1.387 4.756 3.177 1.00 . A A . 23 ARG CG 1 1 14 7588 1 1 23 ARG CZ C 0.865 5.871 5.768 1.00 . A A . 23 ARG CZ 1 1 14 7589 1 1 23 ARG H H 0.051 6.068 1.042 1.00 . A A . 23 ARG H 1 1 14 7590 1 1 23 ARG HA H -1.910 4.088 0.355 1.00 . A A . 23 ARG HA 1 1 14 7591 1 1 23 ARG HB2 H -2.316 6.427 2.233 1.00 . A A . 23 ARG HB2 1 1 14 7592 1 1 23 ARG HB3 H -3.259 4.954 2.157 1.00 . A A . 23 ARG HB3 1 1 14 7593 1 1 23 ARG HD2 H 0.413 5.833 2.736 1.00 . A A . 23 ARG HD2 1 1 14 7594 1 1 23 ARG HD3 H -0.666 6.650 3.865 1.00 . A A . 23 ARG HD3 1 1 14 7595 1 1 23 ARG HE H 0.972 4.306 4.491 1.00 . A A . 23 ARG HE 1 1 14 7596 1 1 23 ARG HG2 H -1.993 4.551 4.045 1.00 . A A . 23 ARG HG2 1 1 14 7597 1 1 23 ARG HG3 H -0.957 3.836 2.806 1.00 . A A . 23 ARG HG3 1 1 14 7598 1 1 23 ARG HH11 H -0.441 7.408 5.418 1.00 . A A . 23 ARG HH11 1 1 14 7599 1 1 23 ARG HH12 H 0.444 7.531 6.873 1.00 . A A . 23 ARG HH12 1 1 14 7600 1 1 23 ARG HH21 H 2.224 4.519 6.462 1.00 . A A . 23 ARG HH21 1 1 14 7601 1 1 23 ARG HH22 H 1.954 5.884 7.473 1.00 . A A . 23 ARG HH22 1 1 14 7602 1 1 23 ARG N N -0.395 5.433 0.441 1.00 . A A . 23 ARG N 1 1 14 7603 1 1 23 ARG NE N 0.575 5.189 4.659 1.00 . A A . 23 ARG NE 1 1 14 7604 1 1 23 ARG NH1 N 0.250 7.019 6.031 1.00 . A A . 23 ARG NH1 1 1 14 7605 1 1 23 ARG NH2 N 1.745 5.395 6.621 1.00 . A A . 23 ARG NH2 1 1 14 7606 1 1 23 ARG O O -3.771 5.755 -0.518 1.00 . A A . 23 ARG O 1 1 14 7607 1 1 24 LYS C C -2.483 7.155 -3.310 1.00 . A A . 24 LYS C 1 1 14 7608 1 1 24 LYS CA C -2.528 7.778 -1.945 1.00 . A A . 24 LYS CA 1 1 14 7609 1 1 24 LYS CB C -1.813 9.128 -1.984 1.00 . A A . 24 LYS CB 1 1 14 7610 1 1 24 LYS CD C -3.222 10.278 -0.238 1.00 . A A . 24 LYS CD 1 1 14 7611 1 1 24 LYS CE C -3.188 11.097 1.040 1.00 . A A . 24 LYS CE 1 1 14 7612 1 1 24 LYS CG C -1.819 9.901 -0.678 1.00 . A A . 24 LYS CG 1 1 14 7613 1 1 24 LYS H H -0.912 6.930 -0.862 1.00 . A A . 24 LYS H 1 1 14 7614 1 1 24 LYS HA H -3.553 7.927 -1.645 1.00 . A A . 24 LYS HA 1 1 14 7615 1 1 24 LYS HB2 H -0.784 8.961 -2.266 1.00 . A A . 24 LYS HB2 1 1 14 7616 1 1 24 LYS HB3 H -2.282 9.737 -2.743 1.00 . A A . 24 LYS HB3 1 1 14 7617 1 1 24 LYS HD2 H -3.689 10.861 -1.017 1.00 . A A . 24 LYS HD2 1 1 14 7618 1 1 24 LYS HD3 H -3.793 9.378 -0.065 1.00 . A A . 24 LYS HD3 1 1 14 7619 1 1 24 LYS HE2 H -4.200 11.340 1.329 1.00 . A A . 24 LYS HE2 1 1 14 7620 1 1 24 LYS HE3 H -2.724 10.507 1.817 1.00 . A A . 24 LYS HE3 1 1 14 7621 1 1 24 LYS HG2 H -1.379 9.289 0.093 1.00 . A A . 24 LYS HG2 1 1 14 7622 1 1 24 LYS HG3 H -1.236 10.801 -0.805 1.00 . A A . 24 LYS HG3 1 1 14 7623 1 1 24 LYS HZ1 H -2.871 12.980 0.170 1.00 . A A . 24 LYS HZ1 1 1 14 7624 1 1 24 LYS HZ2 H -1.452 12.173 0.550 1.00 . A A . 24 LYS HZ2 1 1 14 7625 1 1 24 LYS HZ3 H -2.360 12.880 1.762 1.00 . A A . 24 LYS HZ3 1 1 14 7626 1 1 24 LYS N N -1.890 6.892 -0.999 1.00 . A A . 24 LYS N 1 1 14 7627 1 1 24 LYS NZ N -2.423 12.353 0.868 1.00 . A A . 24 LYS NZ 1 1 14 7628 1 1 24 LYS O O -3.340 7.379 -4.149 1.00 . A A . 24 LYS O 1 1 14 7629 1 1 25 MET C C -1.521 4.300 -4.831 1.00 . A A . 25 MET C 1 1 14 7630 1 1 25 MET CA C -1.207 5.784 -4.808 1.00 . A A . 25 MET CA 1 1 14 7631 1 1 25 MET CB C 0.255 6.018 -5.153 1.00 . A A . 25 MET CB 1 1 14 7632 1 1 25 MET CE C 0.259 7.806 -7.840 1.00 . A A . 25 MET CE 1 1 14 7633 1 1 25 MET CG C 0.706 7.475 -5.114 1.00 . A A . 25 MET CG 1 1 14 7634 1 1 25 MET H H -0.914 6.097 -2.745 1.00 . A A . 25 MET H 1 1 14 7635 1 1 25 MET HA H -1.817 6.296 -5.536 1.00 . A A . 25 MET HA 1 1 14 7636 1 1 25 MET HB2 H 0.891 5.432 -4.507 1.00 . A A . 25 MET HB2 1 1 14 7637 1 1 25 MET HB3 H 0.402 5.656 -6.154 1.00 . A A . 25 MET HB3 1 1 14 7638 1 1 25 MET HE1 H -0.128 6.800 -7.894 1.00 . A A . 25 MET HE1 1 1 14 7639 1 1 25 MET HE2 H 1.335 7.779 -7.928 1.00 . A A . 25 MET HE2 1 1 14 7640 1 1 25 MET HE3 H -0.153 8.399 -8.642 1.00 . A A . 25 MET HE3 1 1 14 7641 1 1 25 MET HG2 H 0.550 7.854 -4.114 1.00 . A A . 25 MET HG2 1 1 14 7642 1 1 25 MET HG3 H 1.760 7.516 -5.346 1.00 . A A . 25 MET HG3 1 1 14 7643 1 1 25 MET N N -1.478 6.340 -3.509 1.00 . A A . 25 MET N 1 1 14 7644 1 1 25 MET O O -1.694 3.701 -5.893 1.00 . A A . 25 MET O 1 1 14 7645 1 1 25 MET SD S -0.185 8.543 -6.266 1.00 . A A . 25 MET SD 1 1 14 7646 1 1 26 LYS C C -0.726 1.437 -3.753 1.00 . A A . 26 LYS C 1 1 14 7647 1 1 26 LYS CA C -1.879 2.315 -3.379 1.00 . A A . 26 LYS CA 1 1 14 7648 1 1 26 LYS CB C -3.187 1.854 -4.028 1.00 . A A . 26 LYS CB 1 1 14 7649 1 1 26 LYS CD C -4.408 2.708 -2.051 1.00 . A A . 26 LYS CD 1 1 14 7650 1 1 26 LYS CE C -5.655 3.375 -1.519 1.00 . A A . 26 LYS CE 1 1 14 7651 1 1 26 LYS CG C -4.393 2.647 -3.559 1.00 . A A . 26 LYS CG 1 1 14 7652 1 1 26 LYS H H -1.400 4.273 -2.841 1.00 . A A . 26 LYS H 1 1 14 7653 1 1 26 LYS HA H -1.974 2.218 -2.307 1.00 . A A . 26 LYS HA 1 1 14 7654 1 1 26 LYS HB2 H -3.090 1.936 -5.100 1.00 . A A . 26 LYS HB2 1 1 14 7655 1 1 26 LYS HB3 H -3.343 0.816 -3.777 1.00 . A A . 26 LYS HB3 1 1 14 7656 1 1 26 LYS HD2 H -4.324 1.706 -1.658 1.00 . A A . 26 LYS HD2 1 1 14 7657 1 1 26 LYS HD3 H -3.537 3.275 -1.751 1.00 . A A . 26 LYS HD3 1 1 14 7658 1 1 26 LYS HE2 H -5.729 4.366 -1.943 1.00 . A A . 26 LYS HE2 1 1 14 7659 1 1 26 LYS HE3 H -6.516 2.791 -1.813 1.00 . A A . 26 LYS HE3 1 1 14 7660 1 1 26 LYS HG2 H -4.332 3.649 -3.955 1.00 . A A . 26 LYS HG2 1 1 14 7661 1 1 26 LYS HG3 H -5.297 2.171 -3.904 1.00 . A A . 26 LYS HG3 1 1 14 7662 1 1 26 LYS HZ1 H -6.497 3.902 0.320 1.00 . A A . 26 LYS HZ1 1 1 14 7663 1 1 26 LYS HZ2 H -4.842 4.108 0.232 1.00 . A A . 26 LYS HZ2 1 1 14 7664 1 1 26 LYS HZ3 H -5.471 2.549 0.395 1.00 . A A . 26 LYS HZ3 1 1 14 7665 1 1 26 LYS N N -1.585 3.727 -3.633 1.00 . A A . 26 LYS N 1 1 14 7666 1 1 26 LYS NZ N -5.621 3.479 -0.047 1.00 . A A . 26 LYS NZ 1 1 14 7667 1 1 26 LYS O O -0.896 0.260 -4.054 1.00 . A A . 26 LYS O 1 1 14 7668 1 1 27 TYR C C 2.797 1.637 -3.128 1.00 . A A . 27 TYR C 1 1 14 7669 1 1 27 TYR CA C 1.636 1.224 -3.967 1.00 . A A . 27 TYR CA 1 1 14 7670 1 1 27 TYR CB C 2.020 1.216 -5.476 1.00 . A A . 27 TYR CB 1 1 14 7671 1 1 27 TYR CD1 C 3.677 3.083 -5.914 1.00 . A A . 27 TYR CD1 1 1 14 7672 1 1 27 TYR CD2 C 1.525 3.231 -6.911 1.00 . A A . 27 TYR CD2 1 1 14 7673 1 1 27 TYR CE1 C 4.043 4.272 -6.500 1.00 . A A . 27 TYR CE1 1 1 14 7674 1 1 27 TYR CE2 C 1.887 4.425 -7.501 1.00 . A A . 27 TYR CE2 1 1 14 7675 1 1 27 TYR CG C 2.408 2.542 -6.105 1.00 . A A . 27 TYR CG 1 1 14 7676 1 1 27 TYR CZ C 3.145 4.940 -7.291 1.00 . A A . 27 TYR CZ 1 1 14 7677 1 1 27 TYR H H 0.479 2.881 -3.256 1.00 . A A . 27 TYR H 1 1 14 7678 1 1 27 TYR HA H 1.407 0.208 -3.678 1.00 . A A . 27 TYR HA 1 1 14 7679 1 1 27 TYR HB2 H 2.876 0.566 -5.585 1.00 . A A . 27 TYR HB2 1 1 14 7680 1 1 27 TYR HB3 H 1.208 0.783 -6.036 1.00 . A A . 27 TYR HB3 1 1 14 7681 1 1 27 TYR HD1 H 4.380 2.557 -5.287 1.00 . A A . 27 TYR HD1 1 1 14 7682 1 1 27 TYR HD2 H 0.537 2.828 -7.075 1.00 . A A . 27 TYR HD2 1 1 14 7683 1 1 27 TYR HE1 H 5.033 4.674 -6.338 1.00 . A A . 27 TYR HE1 1 1 14 7684 1 1 27 TYR HE2 H 1.177 4.955 -8.117 1.00 . A A . 27 TYR HE2 1 1 14 7685 1 1 27 TYR HH H 4.371 6.027 -8.280 1.00 . A A . 27 TYR HH 1 1 14 7686 1 1 27 TYR N N 0.443 1.980 -3.647 1.00 . A A . 27 TYR N 1 1 14 7687 1 1 27 TYR O O 2.829 2.746 -2.579 1.00 . A A . 27 TYR O 1 1 14 7688 1 1 27 TYR OH O 3.502 6.134 -7.872 1.00 . A A . 27 TYR OH 1 1 14 7689 1 1 28 CYS C C 5.888 1.891 -3.024 1.00 . A A . 28 CYS C 1 1 14 7690 1 1 28 CYS CA C 4.930 0.978 -2.272 1.00 . A A . 28 CYS CA 1 1 14 7691 1 1 28 CYS CB C 5.603 -0.359 -1.961 1.00 . A A . 28 CYS CB 1 1 14 7692 1 1 28 CYS H H 3.594 -0.092 -3.514 1.00 . A A . 28 CYS H 1 1 14 7693 1 1 28 CYS HA H 4.650 1.448 -1.342 1.00 . A A . 28 CYS HA 1 1 14 7694 1 1 28 CYS HB2 H 5.965 -0.804 -2.875 1.00 . A A . 28 CYS HB2 1 1 14 7695 1 1 28 CYS HB3 H 6.443 -0.178 -1.306 1.00 . A A . 28 CYS HB3 1 1 14 7696 1 1 28 CYS N N 3.738 0.758 -3.040 1.00 . A A . 28 CYS N 1 1 14 7697 1 1 28 CYS O O 6.158 1.686 -4.221 1.00 . A A . 28 CYS O 1 1 14 7698 1 1 28 CYS SG S 4.511 -1.566 -1.140 1.00 . A A . 28 CYS SG 1 1 14 7699 1 1 29 ALA C C 8.522 3.788 -1.935 1.00 . A A . 29 ALA C 1 1 14 7700 1 1 29 ALA CA C 7.330 3.830 -2.862 1.00 . A A . 29 ALA CA 1 1 14 7701 1 1 29 ALA CB C 6.729 5.220 -2.909 1.00 . A A . 29 ALA CB 1 1 14 7702 1 1 29 ALA H H 6.079 2.996 -1.404 1.00 . A A . 29 ALA H 1 1 14 7703 1 1 29 ALA HA H 7.621 3.518 -3.853 1.00 . A A . 29 ALA HA 1 1 14 7704 1 1 29 ALA HB1 H 7.467 5.916 -3.271 1.00 . A A . 29 ALA HB1 1 1 14 7705 1 1 29 ALA HB2 H 6.418 5.509 -1.916 1.00 . A A . 29 ALA HB2 1 1 14 7706 1 1 29 ALA HB3 H 5.875 5.222 -3.570 1.00 . A A . 29 ALA HB3 1 1 14 7707 1 1 29 ALA N N 6.366 2.892 -2.340 1.00 . A A . 29 ALA N 1 1 14 7708 1 1 29 ALA O O 8.477 3.066 -0.960 1.00 . A A . 29 ALA O 1 1 14 7709 1 1 30 TRP C C 10.583 5.177 0.037 1.00 . A A . 30 TRP C 1 1 14 7710 1 1 30 TRP CA C 10.765 4.525 -1.325 1.00 . A A . 30 TRP CA 1 1 14 7711 1 1 30 TRP CB C 11.968 5.140 -2.015 1.00 . A A . 30 TRP CB 1 1 14 7712 1 1 30 TRP CD1 C 12.318 4.797 -4.483 1.00 . A A . 30 TRP CD1 1 1 14 7713 1 1 30 TRP CD2 C 13.010 3.128 -3.219 1.00 . A A . 30 TRP CD2 1 1 14 7714 1 1 30 TRP CE2 C 13.288 2.795 -4.545 1.00 . A A . 30 TRP CE2 1 1 14 7715 1 1 30 TRP CE3 C 13.337 2.255 -2.222 1.00 . A A . 30 TRP CE3 1 1 14 7716 1 1 30 TRP CG C 12.414 4.402 -3.210 1.00 . A A . 30 TRP CG 1 1 14 7717 1 1 30 TRP CH2 C 14.211 0.729 -3.877 1.00 . A A . 30 TRP CH2 1 1 14 7718 1 1 30 TRP CZ2 C 13.895 1.590 -4.898 1.00 . A A . 30 TRP CZ2 1 1 14 7719 1 1 30 TRP CZ3 C 13.935 1.054 -2.545 1.00 . A A . 30 TRP CZ3 1 1 14 7720 1 1 30 TRP H H 9.509 5.259 -2.882 1.00 . A A . 30 TRP H 1 1 14 7721 1 1 30 TRP HA H 10.964 3.474 -1.189 1.00 . A A . 30 TRP HA 1 1 14 7722 1 1 30 TRP HB2 H 11.740 6.147 -2.314 1.00 . A A . 30 TRP HB2 1 1 14 7723 1 1 30 TRP HB3 H 12.791 5.168 -1.317 1.00 . A A . 30 TRP HB3 1 1 14 7724 1 1 30 TRP HD1 H 11.877 5.745 -4.745 1.00 . A A . 30 TRP HD1 1 1 14 7725 1 1 30 TRP HE1 H 12.925 3.909 -6.289 1.00 . A A . 30 TRP HE1 1 1 14 7726 1 1 30 TRP HE3 H 13.093 2.565 -1.218 1.00 . A A . 30 TRP HE3 1 1 14 7727 1 1 30 TRP HH2 H 14.679 -0.222 -4.086 1.00 . A A . 30 TRP HH2 1 1 14 7728 1 1 30 TRP HZ2 H 14.110 1.332 -5.924 1.00 . A A . 30 TRP HZ2 1 1 14 7729 1 1 30 TRP HZ3 H 14.196 0.353 -1.766 1.00 . A A . 30 TRP HZ3 1 1 14 7730 1 1 30 TRP N N 9.550 4.589 -2.165 1.00 . A A . 30 TRP N 1 1 14 7731 1 1 30 TRP NE1 N 12.862 3.844 -5.312 1.00 . A A . 30 TRP NE1 1 1 14 7732 1 1 30 TRP O O 11.552 5.336 0.804 1.00 . A A . 30 TRP O 1 1 14 7733 1 1 31 ASP C C 7.507 6.170 1.582 1.00 . A A . 31 ASP C 1 1 14 7734 1 1 31 ASP CA C 8.999 6.166 1.548 1.00 . A A . 31 ASP CA 1 1 14 7735 1 1 31 ASP CB C 9.516 7.600 1.602 1.00 . A A . 31 ASP CB 1 1 14 7736 1 1 31 ASP CG C 8.818 8.545 0.627 1.00 . A A . 31 ASP CG 1 1 14 7737 1 1 31 ASP H H 8.613 5.387 -0.265 1.00 . A A . 31 ASP H 1 1 14 7738 1 1 31 ASP HA H 9.393 5.601 2.379 1.00 . A A . 31 ASP HA 1 1 14 7739 1 1 31 ASP HB2 H 9.438 7.976 2.608 1.00 . A A . 31 ASP HB2 1 1 14 7740 1 1 31 ASP HB3 H 10.556 7.514 1.325 1.00 . A A . 31 ASP HB3 1 1 14 7741 1 1 31 ASP N N 9.367 5.543 0.339 1.00 . A A . 31 ASP N 1 1 14 7742 1 1 31 ASP O O 6.865 5.779 0.602 1.00 . A A . 31 ASP O 1 1 14 7743 1 1 31 ASP OD1 O 7.776 9.159 0.985 1.00 . A A . 31 ASP OD1 1 1 14 7744 1 1 31 ASP OD2 O 9.301 8.711 -0.509 1.00 . A A . 31 ASP OD2 1 1 14 7745 1 1 32 PHE C C 5.078 8.113 3.060 1.00 . A A . 32 PHE C 1 1 14 7746 1 1 32 PHE CA C 5.543 6.674 2.835 1.00 . A A . 32 PHE CA 1 1 14 7747 1 1 32 PHE CB C 5.032 5.709 3.939 1.00 . A A . 32 PHE CB 1 1 14 7748 1 1 32 PHE CD1 C 6.904 5.613 5.636 1.00 . A A . 32 PHE CD1 1 1 14 7749 1 1 32 PHE CD2 C 4.778 6.400 6.340 1.00 . A A . 32 PHE CD2 1 1 14 7750 1 1 32 PHE CE1 C 7.395 5.797 6.913 1.00 . A A . 32 PHE CE1 1 1 14 7751 1 1 32 PHE CE2 C 5.263 6.587 7.615 1.00 . A A . 32 PHE CE2 1 1 14 7752 1 1 32 PHE CG C 5.588 5.918 5.333 1.00 . A A . 32 PHE CG 1 1 14 7753 1 1 32 PHE CZ C 6.573 6.287 7.902 1.00 . A A . 32 PHE CZ 1 1 14 7754 1 1 32 PHE H H 7.603 6.898 3.345 1.00 . A A . 32 PHE H 1 1 14 7755 1 1 32 PHE HA H 5.122 6.363 1.889 1.00 . A A . 32 PHE HA 1 1 14 7756 1 1 32 PHE HB2 H 3.960 5.817 4.011 1.00 . A A . 32 PHE HB2 1 1 14 7757 1 1 32 PHE HB3 H 5.244 4.692 3.641 1.00 . A A . 32 PHE HB3 1 1 14 7758 1 1 32 PHE HD1 H 7.553 5.234 4.859 1.00 . A A . 32 PHE HD1 1 1 14 7759 1 1 32 PHE HD2 H 3.748 6.635 6.120 1.00 . A A . 32 PHE HD2 1 1 14 7760 1 1 32 PHE HE1 H 8.423 5.555 7.141 1.00 . A A . 32 PHE HE1 1 1 14 7761 1 1 32 PHE HE2 H 4.612 6.971 8.386 1.00 . A A . 32 PHE HE2 1 1 14 7762 1 1 32 PHE HZ H 6.954 6.432 8.902 1.00 . A A . 32 PHE HZ 1 1 14 7763 1 1 32 PHE N N 6.974 6.603 2.659 1.00 . A A . 32 PHE N 1 1 14 7764 1 1 32 PHE O O 4.172 8.585 2.380 1.00 . A A . 32 PHE O 1 1 14 7765 1 1 33 THR C C 6.379 11.237 3.930 1.00 . A A . 33 THR C 1 1 14 7766 1 1 33 THR CA C 5.315 10.186 4.252 1.00 . A A . 33 THR CA 1 1 14 7767 1 1 33 THR CB C 4.905 10.294 5.732 1.00 . A A . 33 THR CB 1 1 14 7768 1 1 33 THR CG2 C 3.533 9.673 5.970 1.00 . A A . 33 THR CG2 1 1 14 7769 1 1 33 THR H H 6.500 8.454 4.424 1.00 . A A . 33 THR H 1 1 14 7770 1 1 33 THR HA H 4.439 10.396 3.656 1.00 . A A . 33 THR HA 1 1 14 7771 1 1 33 THR HB H 4.874 11.341 5.999 1.00 . A A . 33 THR HB 1 1 14 7772 1 1 33 THR HG1 H 6.776 9.940 6.317 1.00 . A A . 33 THR HG1 1 1 14 7773 1 1 33 THR HG21 H 3.555 8.636 5.673 1.00 . A A . 33 THR HG21 1 1 14 7774 1 1 33 THR HG22 H 2.790 10.197 5.388 1.00 . A A . 33 THR HG22 1 1 14 7775 1 1 33 THR HG23 H 3.286 9.740 7.019 1.00 . A A . 33 THR HG23 1 1 14 7776 1 1 33 THR N N 5.733 8.832 3.941 1.00 . A A . 33 THR N 1 1 14 7777 1 1 33 THR O O 6.188 12.423 4.203 1.00 . A A . 33 THR O 1 1 14 7778 1 1 33 THR OG1 O 5.892 9.639 6.561 1.00 . A A . 33 THR OG1 1 1 14 7779 1 1 34 PHE C C 8.216 12.575 1.807 1.00 . A A . 34 PHE C 1 1 14 7780 1 1 34 PHE CA C 8.553 11.761 3.052 1.00 . A A . 34 PHE CA 1 1 14 7781 1 1 34 PHE CB C 9.904 11.035 2.912 1.00 . A A . 34 PHE CB 1 1 14 7782 1 1 34 PHE CD1 C 11.673 12.097 1.471 1.00 . A A . 34 PHE CD1 1 1 14 7783 1 1 34 PHE CD2 C 11.606 12.663 3.784 1.00 . A A . 34 PHE CD2 1 1 14 7784 1 1 34 PHE CE1 C 12.753 12.938 1.294 1.00 . A A . 34 PHE CE1 1 1 14 7785 1 1 34 PHE CE2 C 12.686 13.504 3.614 1.00 . A A . 34 PHE CE2 1 1 14 7786 1 1 34 PHE CG C 11.086 11.949 2.717 1.00 . A A . 34 PHE CG 1 1 14 7787 1 1 34 PHE CZ C 13.260 13.643 2.366 1.00 . A A . 34 PHE CZ 1 1 14 7788 1 1 34 PHE H H 7.577 9.885 3.072 1.00 . A A . 34 PHE H 1 1 14 7789 1 1 34 PHE HA H 8.603 12.446 3.885 1.00 . A A . 34 PHE HA 1 1 14 7790 1 1 34 PHE HB2 H 10.087 10.455 3.805 1.00 . A A . 34 PHE HB2 1 1 14 7791 1 1 34 PHE HB3 H 9.853 10.367 2.064 1.00 . A A . 34 PHE HB3 1 1 14 7792 1 1 34 PHE HD1 H 11.279 11.546 0.631 1.00 . A A . 34 PHE HD1 1 1 14 7793 1 1 34 PHE HD2 H 11.156 12.555 4.761 1.00 . A A . 34 PHE HD2 1 1 14 7794 1 1 34 PHE HE1 H 13.201 13.046 0.317 1.00 . A A . 34 PHE HE1 1 1 14 7795 1 1 34 PHE HE2 H 13.081 14.055 4.456 1.00 . A A . 34 PHE HE2 1 1 14 7796 1 1 34 PHE HZ H 14.105 14.301 2.230 1.00 . A A . 34 PHE HZ 1 1 14 7797 1 1 34 PHE N N 7.481 10.825 3.341 1.00 . A A . 34 PHE N 1 1 14 7798 1 1 34 PHE O O 8.214 13.809 1.835 1.00 . A A . 34 PHE O 1 1 14 7799 1 1 35 THR C C 6.009 12.741 -0.571 1.00 . A A . 35 THR C 1 1 14 7800 1 1 35 THR CA C 7.522 12.554 -0.496 1.00 . A A . 35 THR CA 1 1 14 7801 1 1 35 THR CB C 8.018 11.762 -1.720 1.00 . A A . 35 THR CB 1 1 14 7802 1 1 35 THR CG2 C 9.532 11.819 -1.820 1.00 . A A . 35 THR CG2 1 1 14 7803 1 1 35 THR H H 7.889 10.910 0.792 1.00 . A A . 35 THR H 1 1 14 7804 1 1 35 THR HA H 7.990 13.527 -0.498 1.00 . A A . 35 THR HA 1 1 14 7805 1 1 35 THR HB H 7.589 12.194 -2.611 1.00 . A A . 35 THR HB 1 1 14 7806 1 1 35 THR HG1 H 8.280 9.876 -1.166 1.00 . A A . 35 THR HG1 1 1 14 7807 1 1 35 THR HG21 H 9.857 11.253 -2.681 1.00 . A A . 35 THR HG21 1 1 14 7808 1 1 35 THR HG22 H 9.959 11.386 -0.927 1.00 . A A . 35 THR HG22 1 1 14 7809 1 1 35 THR HG23 H 9.854 12.845 -1.916 1.00 . A A . 35 THR HG23 1 1 14 7810 1 1 35 THR N N 7.892 11.894 0.742 1.00 . A A . 35 THR N 1 1 14 7811 1 1 35 THR O O 5.264 12.214 0.297 1.00 . A A . 35 THR O 1 1 14 7812 1 1 35 THR OG1 O 7.590 10.390 -1.625 1.00 . A A . 35 THR OG1 1 1 15 7813 1 1 1 ASP C C 7.104 -10.094 1.103 1.00 . A A . 1 ASP C 1 1 15 7814 1 1 1 ASP CA C 7.691 -11.463 0.920 1.00 . A A . 1 ASP CA 1 1 15 7815 1 1 1 ASP CB C 7.711 -11.839 -0.571 1.00 . A A . 1 ASP CB 1 1 15 7816 1 1 1 ASP CG C 8.328 -13.192 -0.823 1.00 . A A . 1 ASP CG 1 1 15 7817 1 1 1 ASP H1 H 5.898 -12.391 1.348 1.00 . A A . 1 ASP H1 1 1 15 7818 1 1 1 ASP H2 H 6.864 -12.141 2.685 1.00 . A A . 1 ASP H2 1 1 15 7819 1 1 1 ASP H3 H 7.234 -13.389 1.601 1.00 . A A . 1 ASP H3 1 1 15 7820 1 1 1 ASP HA H 8.696 -11.474 1.313 1.00 . A A . 1 ASP HA 1 1 15 7821 1 1 1 ASP HB2 H 6.697 -11.856 -0.943 1.00 . A A . 1 ASP HB2 1 1 15 7822 1 1 1 ASP HB3 H 8.273 -11.096 -1.117 1.00 . A A . 1 ASP HB3 1 1 15 7823 1 1 1 ASP N N 6.882 -12.416 1.684 1.00 . A A . 1 ASP N 1 1 15 7824 1 1 1 ASP O O 6.072 -9.961 1.758 1.00 . A A . 1 ASP O 1 1 15 7825 1 1 1 ASP OD1 O 7.630 -14.208 -0.701 1.00 . A A . 1 ASP OD1 1 1 15 7826 1 1 1 ASP OD2 O 9.539 -13.271 -1.151 1.00 . A A . 1 ASP OD2 1 1 15 7827 1 1 2 CYS C C 7.113 -7.155 -0.692 1.00 . A A . 2 CYS C 1 1 15 7828 1 1 2 CYS CA C 7.219 -7.757 0.656 1.00 . A A . 2 CYS CA 1 1 15 7829 1 1 2 CYS CB C 8.109 -6.902 1.499 1.00 . A A . 2 CYS CB 1 1 15 7830 1 1 2 CYS H H 8.587 -9.161 0.089 1.00 . A A . 2 CYS H 1 1 15 7831 1 1 2 CYS HA H 6.240 -7.768 1.106 1.00 . A A . 2 CYS HA 1 1 15 7832 1 1 2 CYS HB2 H 7.760 -5.899 1.322 1.00 . A A . 2 CYS HB2 1 1 15 7833 1 1 2 CYS HB3 H 7.993 -7.142 2.539 1.00 . A A . 2 CYS HB3 1 1 15 7834 1 1 2 CYS N N 7.734 -9.081 0.568 1.00 . A A . 2 CYS N 1 1 15 7835 1 1 2 CYS O O 7.779 -7.594 -1.642 1.00 . A A . 2 CYS O 1 1 15 7836 1 1 2 CYS SG S 9.861 -6.912 1.022 1.00 . A A . 2 CYS SG 1 1 15 7837 1 1 3 ARG C C 7.215 -4.444 -2.190 1.00 . A A . 3 ARG C 1 1 15 7838 1 1 3 ARG CA C 6.140 -5.467 -2.032 1.00 . A A . 3 ARG CA 1 1 15 7839 1 1 3 ARG CB C 4.775 -4.788 -2.198 1.00 . A A . 3 ARG CB 1 1 15 7840 1 1 3 ARG CD C 3.101 -6.373 -1.213 1.00 . A A . 3 ARG CD 1 1 15 7841 1 1 3 ARG CG C 3.593 -5.703 -2.464 1.00 . A A . 3 ARG CG 1 1 15 7842 1 1 3 ARG CZ C 1.270 -7.928 -0.574 1.00 . A A . 3 ARG CZ 1 1 15 7843 1 1 3 ARG H H 5.840 -5.871 0.034 1.00 . A A . 3 ARG H 1 1 15 7844 1 1 3 ARG HA H 6.259 -6.199 -2.816 1.00 . A A . 3 ARG HA 1 1 15 7845 1 1 3 ARG HB2 H 4.567 -4.254 -1.282 1.00 . A A . 3 ARG HB2 1 1 15 7846 1 1 3 ARG HB3 H 4.848 -4.062 -2.992 1.00 . A A . 3 ARG HB3 1 1 15 7847 1 1 3 ARG HD2 H 3.908 -6.932 -0.766 1.00 . A A . 3 ARG HD2 1 1 15 7848 1 1 3 ARG HD3 H 2.783 -5.573 -0.562 1.00 . A A . 3 ARG HD3 1 1 15 7849 1 1 3 ARG HE H 1.705 -7.277 -2.431 1.00 . A A . 3 ARG HE 1 1 15 7850 1 1 3 ARG HG2 H 2.785 -5.120 -2.882 1.00 . A A . 3 ARG HG2 1 1 15 7851 1 1 3 ARG HG3 H 3.892 -6.458 -3.176 1.00 . A A . 3 ARG HG3 1 1 15 7852 1 1 3 ARG HH11 H 2.424 -7.397 1.050 1.00 . A A . 3 ARG HH11 1 1 15 7853 1 1 3 ARG HH12 H 1.119 -8.403 1.434 1.00 . A A . 3 ARG HH12 1 1 15 7854 1 1 3 ARG HH21 H -0.040 -8.680 -1.941 1.00 . A A . 3 ARG HH21 1 1 15 7855 1 1 3 ARG HH22 H -0.324 -9.207 -0.349 1.00 . A A . 3 ARG HH22 1 1 15 7856 1 1 3 ARG N N 6.303 -6.156 -0.789 1.00 . A A . 3 ARG N 1 1 15 7857 1 1 3 ARG NE N 1.964 -7.240 -1.481 1.00 . A A . 3 ARG NE 1 1 15 7858 1 1 3 ARG NH1 N 1.627 -7.911 0.721 1.00 . A A . 3 ARG NH1 1 1 15 7859 1 1 3 ARG NH2 N 0.228 -8.649 -0.974 1.00 . A A . 3 ARG NH2 1 1 15 7860 1 1 3 ARG O O 7.502 -3.660 -1.259 1.00 . A A . 3 ARG O 1 1 15 7861 1 1 4 TYR C C 8.093 -2.348 -4.338 1.00 . A A . 4 TYR C 1 1 15 7862 1 1 4 TYR CA C 8.793 -3.515 -3.674 1.00 . A A . 4 TYR CA 1 1 15 7863 1 1 4 TYR CB C 9.825 -4.161 -4.572 1.00 . A A . 4 TYR CB 1 1 15 7864 1 1 4 TYR CD1 C 11.632 -4.839 -2.947 1.00 . A A . 4 TYR CD1 1 1 15 7865 1 1 4 TYR CD2 C 10.455 -6.563 -4.101 1.00 . A A . 4 TYR CD2 1 1 15 7866 1 1 4 TYR CE1 C 12.378 -5.784 -2.293 1.00 . A A . 4 TYR CE1 1 1 15 7867 1 1 4 TYR CE2 C 11.207 -7.513 -3.441 1.00 . A A . 4 TYR CE2 1 1 15 7868 1 1 4 TYR CG C 10.652 -5.209 -3.863 1.00 . A A . 4 TYR CG 1 1 15 7869 1 1 4 TYR CZ C 12.167 -7.110 -2.536 1.00 . A A . 4 TYR CZ 1 1 15 7870 1 1 4 TYR H H 7.633 -5.109 -4.037 1.00 . A A . 4 TYR H 1 1 15 7871 1 1 4 TYR HA H 9.270 -3.176 -2.767 1.00 . A A . 4 TYR HA 1 1 15 7872 1 1 4 TYR HB2 H 9.330 -4.627 -5.411 1.00 . A A . 4 TYR HB2 1 1 15 7873 1 1 4 TYR HB3 H 10.480 -3.392 -4.930 1.00 . A A . 4 TYR HB3 1 1 15 7874 1 1 4 TYR HD1 H 11.812 -3.800 -2.717 1.00 . A A . 4 TYR HD1 1 1 15 7875 1 1 4 TYR HD2 H 9.701 -6.871 -4.811 1.00 . A A . 4 TYR HD2 1 1 15 7876 1 1 4 TYR HE1 H 13.133 -5.476 -1.586 1.00 . A A . 4 TYR HE1 1 1 15 7877 1 1 4 TYR HE2 H 11.044 -8.564 -3.633 1.00 . A A . 4 TYR HE2 1 1 15 7878 1 1 4 TYR HH H 13.010 -7.705 -0.951 1.00 . A A . 4 TYR HH 1 1 15 7879 1 1 4 TYR N N 7.826 -4.456 -3.334 1.00 . A A . 4 TYR N 1 1 15 7880 1 1 4 TYR O O 6.866 -2.215 -4.218 1.00 . A A . 4 TYR O 1 1 15 7881 1 1 4 TYR OH O 12.911 -8.043 -1.853 1.00 . A A . 4 TYR OH 1 1 15 7882 1 1 5 MET C C 7.212 -0.663 -6.622 1.00 . A A . 5 MET C 1 1 15 7883 1 1 5 MET CA C 8.236 -0.316 -5.562 1.00 . A A . 5 MET CA 1 1 15 7884 1 1 5 MET CB C 9.302 0.616 -6.112 1.00 . A A . 5 MET CB 1 1 15 7885 1 1 5 MET CE C 9.478 4.724 -6.370 1.00 . A A . 5 MET CE 1 1 15 7886 1 1 5 MET CG C 8.868 2.057 -6.170 1.00 . A A . 5 MET CG 1 1 15 7887 1 1 5 MET H H 9.759 -1.724 -5.221 1.00 . A A . 5 MET H 1 1 15 7888 1 1 5 MET HA H 7.704 0.179 -4.761 1.00 . A A . 5 MET HA 1 1 15 7889 1 1 5 MET HB2 H 10.190 0.557 -5.502 1.00 . A A . 5 MET HB2 1 1 15 7890 1 1 5 MET HB3 H 9.551 0.293 -7.109 1.00 . A A . 5 MET HB3 1 1 15 7891 1 1 5 MET HE1 H 9.509 4.747 -5.288 1.00 . A A . 5 MET HE1 1 1 15 7892 1 1 5 MET HE2 H 8.463 4.850 -6.713 1.00 . A A . 5 MET HE2 1 1 15 7893 1 1 5 MET HE3 H 10.111 5.507 -6.759 1.00 . A A . 5 MET HE3 1 1 15 7894 1 1 5 MET HG2 H 7.965 2.130 -6.760 1.00 . A A . 5 MET HG2 1 1 15 7895 1 1 5 MET HG3 H 8.666 2.380 -5.161 1.00 . A A . 5 MET HG3 1 1 15 7896 1 1 5 MET N N 8.818 -1.520 -5.029 1.00 . A A . 5 MET N 1 1 15 7897 1 1 5 MET O O 7.444 -1.544 -7.455 1.00 . A A . 5 MET O 1 1 15 7898 1 1 5 MET SD S 10.108 3.131 -6.878 1.00 . A A . 5 MET SD 1 1 15 7899 1 1 6 PHE C C 4.136 -1.481 -7.085 1.00 . A A . 6 PHE C 1 1 15 7900 1 1 6 PHE CA C 4.905 -0.198 -7.413 1.00 . A A . 6 PHE CA 1 1 15 7901 1 1 6 PHE CB C 5.268 -0.093 -8.910 1.00 . A A . 6 PHE CB 1 1 15 7902 1 1 6 PHE CD1 C 5.051 2.314 -9.601 1.00 . A A . 6 PHE CD1 1 1 15 7903 1 1 6 PHE CD2 C 7.231 1.416 -9.292 1.00 . A A . 6 PHE CD2 1 1 15 7904 1 1 6 PHE CE1 C 5.600 3.538 -9.927 1.00 . A A . 6 PHE CE1 1 1 15 7905 1 1 6 PHE CE2 C 7.787 2.626 -9.613 1.00 . A A . 6 PHE CE2 1 1 15 7906 1 1 6 PHE CG C 5.861 1.239 -9.280 1.00 . A A . 6 PHE CG 1 1 15 7907 1 1 6 PHE CZ C 6.972 3.694 -9.931 1.00 . A A . 6 PHE CZ 1 1 15 7908 1 1 6 PHE H H 5.982 0.652 -5.797 1.00 . A A . 6 PHE H 1 1 15 7909 1 1 6 PHE HA H 4.236 0.614 -7.163 1.00 . A A . 6 PHE HA 1 1 15 7910 1 1 6 PHE HB2 H 5.990 -0.858 -9.153 1.00 . A A . 6 PHE HB2 1 1 15 7911 1 1 6 PHE HB3 H 4.378 -0.242 -9.504 1.00 . A A . 6 PHE HB3 1 1 15 7912 1 1 6 PHE HD1 H 3.978 2.191 -9.593 1.00 . A A . 6 PHE HD1 1 1 15 7913 1 1 6 PHE HD2 H 7.871 0.582 -9.043 1.00 . A A . 6 PHE HD2 1 1 15 7914 1 1 6 PHE HE1 H 4.959 4.369 -10.175 1.00 . A A . 6 PHE HE1 1 1 15 7915 1 1 6 PHE HE2 H 8.862 2.728 -9.603 1.00 . A A . 6 PHE HE2 1 1 15 7916 1 1 6 PHE HZ H 7.406 4.649 -10.187 1.00 . A A . 6 PHE HZ 1 1 15 7917 1 1 6 PHE N N 6.059 -0.007 -6.525 1.00 . A A . 6 PHE N 1 1 15 7918 1 1 6 PHE O O 3.203 -1.866 -7.805 1.00 . A A . 6 PHE O 1 1 15 7919 1 1 7 GLY C C 2.600 -2.728 -4.725 1.00 . A A . 7 GLY C 1 1 15 7920 1 1 7 GLY CA C 3.782 -3.262 -5.486 1.00 . A A . 7 GLY CA 1 1 15 7921 1 1 7 GLY H H 5.347 -1.864 -5.522 1.00 . A A . 7 GLY H 1 1 15 7922 1 1 7 GLY HA2 H 3.451 -3.879 -6.307 1.00 . A A . 7 GLY HA2 1 1 15 7923 1 1 7 GLY HA3 H 4.390 -3.855 -4.820 1.00 . A A . 7 GLY HA3 1 1 15 7924 1 1 7 GLY N N 4.531 -2.138 -5.995 1.00 . A A . 7 GLY N 1 1 15 7925 1 1 7 GLY O O 2.666 -1.602 -4.242 1.00 . A A . 7 GLY O 1 1 15 7926 1 1 8 ASP C C 0.329 -3.110 -2.529 1.00 . A A . 8 ASP C 1 1 15 7927 1 1 8 ASP CA C 0.315 -2.975 -3.999 1.00 . A A . 8 ASP CA 1 1 15 7928 1 1 8 ASP CB C -0.892 -3.674 -4.575 1.00 . A A . 8 ASP CB 1 1 15 7929 1 1 8 ASP CG C -2.237 -3.100 -4.146 1.00 . A A . 8 ASP CG 1 1 15 7930 1 1 8 ASP H H 1.606 -4.457 -4.798 1.00 . A A . 8 ASP H 1 1 15 7931 1 1 8 ASP HA H 0.258 -1.925 -4.247 1.00 . A A . 8 ASP HA 1 1 15 7932 1 1 8 ASP HB2 H -0.780 -3.466 -5.619 1.00 . A A . 8 ASP HB2 1 1 15 7933 1 1 8 ASP HB3 H -0.854 -4.737 -4.390 1.00 . A A . 8 ASP HB3 1 1 15 7934 1 1 8 ASP N N 1.555 -3.502 -4.581 1.00 . A A . 8 ASP N 1 1 15 7935 1 1 8 ASP O O 0.766 -4.132 -1.988 1.00 . A A . 8 ASP O 1 1 15 7936 1 1 8 ASP OD1 O -2.829 -2.299 -4.920 1.00 . A A . 8 ASP OD1 1 1 15 7937 1 1 8 ASP OD2 O -2.755 -3.476 -3.063 1.00 . A A . 8 ASP OD2 1 1 15 7938 1 1 9 CYS C C -1.334 -1.495 0.108 1.00 . A A . 9 CYS C 1 1 15 7939 1 1 9 CYS CA C -0.101 -2.124 -0.475 1.00 . A A . 9 CYS CA 1 1 15 7940 1 1 9 CYS CB C 1.132 -1.376 -0.058 1.00 . A A . 9 CYS CB 1 1 15 7941 1 1 9 CYS H H -0.570 -1.377 -2.355 1.00 . A A . 9 CYS H 1 1 15 7942 1 1 9 CYS HA H -0.001 -3.146 -0.146 1.00 . A A . 9 CYS HA 1 1 15 7943 1 1 9 CYS HB2 H 1.307 -1.466 1.002 1.00 . A A . 9 CYS HB2 1 1 15 7944 1 1 9 CYS HB3 H 1.919 -1.854 -0.625 1.00 . A A . 9 CYS HB3 1 1 15 7945 1 1 9 CYS N N -0.155 -2.130 -1.879 1.00 . A A . 9 CYS N 1 1 15 7946 1 1 9 CYS O O -1.952 -0.605 -0.502 1.00 . A A . 9 CYS O 1 1 15 7947 1 1 9 CYS SG S 1.126 0.385 -0.537 1.00 . A A . 9 CYS SG 1 1 15 7948 1 1 10 GLU C C -2.306 -0.760 3.193 1.00 . A A . 10 GLU C 1 1 15 7949 1 1 10 GLU CA C -2.843 -1.449 1.951 1.00 . A A . 10 GLU CA 1 1 15 7950 1 1 10 GLU CB C -3.780 -2.580 2.319 1.00 . A A . 10 GLU CB 1 1 15 7951 1 1 10 GLU CD C -4.982 -4.621 1.505 1.00 . A A . 10 GLU CD 1 1 15 7952 1 1 10 GLU CG C -4.193 -3.421 1.120 1.00 . A A . 10 GLU CG 1 1 15 7953 1 1 10 GLU H H -1.247 -2.747 1.638 1.00 . A A . 10 GLU H 1 1 15 7954 1 1 10 GLU HA H -3.353 -0.734 1.323 1.00 . A A . 10 GLU HA 1 1 15 7955 1 1 10 GLU HB2 H -3.285 -3.213 3.040 1.00 . A A . 10 GLU HB2 1 1 15 7956 1 1 10 GLU HB3 H -4.669 -2.164 2.768 1.00 . A A . 10 GLU HB3 1 1 15 7957 1 1 10 GLU HG2 H -4.799 -2.818 0.460 1.00 . A A . 10 GLU HG2 1 1 15 7958 1 1 10 GLU HG3 H -3.304 -3.739 0.598 1.00 . A A . 10 GLU HG3 1 1 15 7959 1 1 10 GLU N N -1.726 -1.978 1.241 1.00 . A A . 10 GLU N 1 1 15 7960 1 1 10 GLU O O -2.854 0.237 3.665 1.00 . A A . 10 GLU O 1 1 15 7961 1 1 10 GLU OE1 O -6.223 -4.567 1.472 1.00 . A A . 10 GLU OE1 1 1 15 7962 1 1 10 GLU OE2 O -4.375 -5.645 1.879 1.00 . A A . 10 GLU OE2 1 1 15 7963 1 1 11 LYS C C 0.980 -0.810 4.509 1.00 . A A . 11 LYS C 1 1 15 7964 1 1 11 LYS CA C -0.495 -0.744 4.802 1.00 . A A . 11 LYS CA 1 1 15 7965 1 1 11 LYS CB C -0.871 -1.508 6.083 1.00 . A A . 11 LYS CB 1 1 15 7966 1 1 11 LYS CD C -1.376 -3.721 7.169 1.00 . A A . 11 LYS CD 1 1 15 7967 1 1 11 LYS CE C -1.681 -5.203 6.936 1.00 . A A . 11 LYS CE 1 1 15 7968 1 1 11 LYS CG C -0.955 -3.019 5.898 1.00 . A A . 11 LYS CG 1 1 15 7969 1 1 11 LYS H H -0.780 -2.068 3.270 1.00 . A A . 11 LYS H 1 1 15 7970 1 1 11 LYS HA H -0.763 0.297 4.908 1.00 . A A . 11 LYS HA 1 1 15 7971 1 1 11 LYS HB2 H -0.122 -1.304 6.834 1.00 . A A . 11 LYS HB2 1 1 15 7972 1 1 11 LYS HB3 H -1.825 -1.148 6.436 1.00 . A A . 11 LYS HB3 1 1 15 7973 1 1 11 LYS HD2 H -0.576 -3.642 7.892 1.00 . A A . 11 LYS HD2 1 1 15 7974 1 1 11 LYS HD3 H -2.259 -3.236 7.556 1.00 . A A . 11 LYS HD3 1 1 15 7975 1 1 11 LYS HE2 H -1.920 -5.654 7.887 1.00 . A A . 11 LYS HE2 1 1 15 7976 1 1 11 LYS HE3 H -2.540 -5.285 6.289 1.00 . A A . 11 LYS HE3 1 1 15 7977 1 1 11 LYS HG2 H -1.680 -3.231 5.127 1.00 . A A . 11 LYS HG2 1 1 15 7978 1 1 11 LYS HG3 H 0.012 -3.387 5.590 1.00 . A A . 11 LYS HG3 1 1 15 7979 1 1 11 LYS HZ1 H -0.841 -6.935 6.195 1.00 . A A . 11 LYS HZ1 1 1 15 7980 1 1 11 LYS HZ2 H 0.274 -5.963 6.977 1.00 . A A . 11 LYS HZ2 1 1 15 7981 1 1 11 LYS HZ3 H -0.267 -5.566 5.412 1.00 . A A . 11 LYS HZ3 1 1 15 7982 1 1 11 LYS N N -1.196 -1.272 3.678 1.00 . A A . 11 LYS N 1 1 15 7983 1 1 11 LYS NZ N -0.549 -5.949 6.345 1.00 . A A . 11 LYS NZ 1 1 15 7984 1 1 11 LYS O O 1.395 -1.505 3.581 1.00 . A A . 11 LYS O 1 1 15 7985 1 1 12 ASP C C 3.910 -1.334 5.277 1.00 . A A . 12 ASP C 1 1 15 7986 1 1 12 ASP CA C 3.224 -0.028 5.044 1.00 . A A . 12 ASP CA 1 1 15 7987 1 1 12 ASP CB C 3.877 1.045 5.914 1.00 . A A . 12 ASP CB 1 1 15 7988 1 1 12 ASP CG C 3.178 2.362 5.817 1.00 . A A . 12 ASP CG 1 1 15 7989 1 1 12 ASP H H 1.383 0.302 6.092 1.00 . A A . 12 ASP H 1 1 15 7990 1 1 12 ASP HA H 3.352 0.242 4.007 1.00 . A A . 12 ASP HA 1 1 15 7991 1 1 12 ASP HB2 H 3.859 0.723 6.944 1.00 . A A . 12 ASP HB2 1 1 15 7992 1 1 12 ASP HB3 H 4.902 1.174 5.603 1.00 . A A . 12 ASP HB3 1 1 15 7993 1 1 12 ASP N N 1.774 -0.140 5.305 1.00 . A A . 12 ASP N 1 1 15 7994 1 1 12 ASP O O 4.986 -1.589 4.745 1.00 . A A . 12 ASP O 1 1 15 7995 1 1 12 ASP OD1 O 2.573 2.793 6.827 1.00 . A A . 12 ASP OD1 1 1 15 7996 1 1 12 ASP OD2 O 3.149 2.951 4.749 1.00 . A A . 12 ASP OD2 1 1 15 7997 1 1 13 GLU C C 3.864 -4.395 5.201 1.00 . A A . 13 GLU C 1 1 15 7998 1 1 13 GLU CA C 3.771 -3.488 6.394 1.00 . A A . 13 GLU CA 1 1 15 7999 1 1 13 GLU CB C 2.854 -4.135 7.396 1.00 . A A . 13 GLU CB 1 1 15 8000 1 1 13 GLU CD C 1.796 -3.998 9.656 1.00 . A A . 13 GLU CD 1 1 15 8001 1 1 13 GLU CG C 2.554 -3.266 8.598 1.00 . A A . 13 GLU CG 1 1 15 8002 1 1 13 GLU H H 2.318 -1.949 6.248 1.00 . A A . 13 GLU H 1 1 15 8003 1 1 13 GLU HA H 4.743 -3.354 6.843 1.00 . A A . 13 GLU HA 1 1 15 8004 1 1 13 GLU HB2 H 1.940 -4.364 6.866 1.00 . A A . 13 GLU HB2 1 1 15 8005 1 1 13 GLU HB3 H 3.300 -5.062 7.725 1.00 . A A . 13 GLU HB3 1 1 15 8006 1 1 13 GLU HG2 H 3.484 -2.921 9.021 1.00 . A A . 13 GLU HG2 1 1 15 8007 1 1 13 GLU HG3 H 1.969 -2.415 8.276 1.00 . A A . 13 GLU HG3 1 1 15 8008 1 1 13 GLU N N 3.233 -2.198 6.000 1.00 . A A . 13 GLU N 1 1 15 8009 1 1 13 GLU O O 4.582 -5.393 5.215 1.00 . A A . 13 GLU O 1 1 15 8010 1 1 13 GLU OE1 O 0.590 -4.243 9.485 1.00 . A A . 13 GLU OE1 1 1 15 8011 1 1 13 GLU OE2 O 2.387 -4.343 10.681 1.00 . A A . 13 GLU OE2 1 1 15 8012 1 1 14 ASP C C 4.257 -4.573 2.126 1.00 . A A . 14 ASP C 1 1 15 8013 1 1 14 ASP CA C 3.044 -4.842 2.983 1.00 . A A . 14 ASP CA 1 1 15 8014 1 1 14 ASP CB C 1.768 -4.533 2.187 1.00 . A A . 14 ASP CB 1 1 15 8015 1 1 14 ASP CG C 0.493 -4.580 3.008 1.00 . A A . 14 ASP CG 1 1 15 8016 1 1 14 ASP H H 2.605 -3.213 4.227 1.00 . A A . 14 ASP H 1 1 15 8017 1 1 14 ASP HA H 3.035 -5.881 3.273 1.00 . A A . 14 ASP HA 1 1 15 8018 1 1 14 ASP HB2 H 1.840 -3.566 1.713 1.00 . A A . 14 ASP HB2 1 1 15 8019 1 1 14 ASP HB3 H 1.696 -5.302 1.437 1.00 . A A . 14 ASP HB3 1 1 15 8020 1 1 14 ASP N N 3.120 -4.046 4.178 1.00 . A A . 14 ASP N 1 1 15 8021 1 1 14 ASP O O 4.683 -5.416 1.336 1.00 . A A . 14 ASP O 1 1 15 8022 1 1 14 ASP OD1 O 0.405 -5.372 3.958 1.00 . A A . 14 ASP OD1 1 1 15 8023 1 1 14 ASP OD2 O -0.453 -3.830 2.707 1.00 . A A . 14 ASP OD2 1 1 15 8024 1 1 15 CYS C C 7.212 -3.392 2.343 1.00 . A A . 15 CYS C 1 1 15 8025 1 1 15 CYS CA C 5.991 -3.019 1.563 1.00 . A A . 15 CYS CA 1 1 15 8026 1 1 15 CYS CB C 5.990 -1.518 1.336 1.00 . A A . 15 CYS CB 1 1 15 8027 1 1 15 CYS H H 4.485 -2.808 2.994 1.00 . A A . 15 CYS H 1 1 15 8028 1 1 15 CYS HA H 5.989 -3.522 0.608 1.00 . A A . 15 CYS HA 1 1 15 8029 1 1 15 CYS HB2 H 6.204 -1.002 2.258 1.00 . A A . 15 CYS HB2 1 1 15 8030 1 1 15 CYS HB3 H 6.777 -1.287 0.633 1.00 . A A . 15 CYS HB3 1 1 15 8031 1 1 15 CYS N N 4.830 -3.415 2.307 1.00 . A A . 15 CYS N 1 1 15 8032 1 1 15 CYS O O 7.134 -3.626 3.553 1.00 . A A . 15 CYS O 1 1 15 8033 1 1 15 CYS SG S 4.443 -0.901 0.641 1.00 . A A . 15 CYS SG 1 1 15 8034 1 1 16 CYS C C 10.019 -2.658 3.235 1.00 . A A . 16 CYS C 1 1 15 8035 1 1 16 CYS CA C 9.585 -3.775 2.271 1.00 . A A . 16 CYS CA 1 1 15 8036 1 1 16 CYS CB C 10.604 -3.987 1.185 1.00 . A A . 16 CYS CB 1 1 15 8037 1 1 16 CYS H H 8.291 -3.399 0.685 1.00 . A A . 16 CYS H 1 1 15 8038 1 1 16 CYS HA H 9.476 -4.695 2.825 1.00 . A A . 16 CYS HA 1 1 15 8039 1 1 16 CYS HB2 H 10.824 -3.040 0.727 1.00 . A A . 16 CYS HB2 1 1 15 8040 1 1 16 CYS HB3 H 11.528 -4.351 1.592 1.00 . A A . 16 CYS HB3 1 1 15 8041 1 1 16 CYS N N 8.315 -3.483 1.662 1.00 . A A . 16 CYS N 1 1 15 8042 1 1 16 CYS O O 9.407 -1.578 3.289 1.00 . A A . 16 CYS O 1 1 15 8043 1 1 16 CYS SG S 10.066 -5.202 -0.046 1.00 . A A . 16 CYS SG 1 1 15 8044 1 1 17 LYS C C 12.179 -0.778 4.480 1.00 . A A . 17 LYS C 1 1 15 8045 1 1 17 LYS CA C 11.556 -2.033 5.013 1.00 . A A . 17 LYS CA 1 1 15 8046 1 1 17 LYS CB C 12.556 -2.772 5.870 1.00 . A A . 17 LYS CB 1 1 15 8047 1 1 17 LYS CD C 12.878 -4.786 7.312 1.00 . A A . 17 LYS CD 1 1 15 8048 1 1 17 LYS CE C 12.529 -4.162 8.661 1.00 . A A . 17 LYS CE 1 1 15 8049 1 1 17 LYS CG C 12.100 -4.166 6.183 1.00 . A A . 17 LYS CG 1 1 15 8050 1 1 17 LYS H H 11.646 -3.672 3.666 1.00 . A A . 17 LYS H 1 1 15 8051 1 1 17 LYS HA H 10.700 -1.798 5.627 1.00 . A A . 17 LYS HA 1 1 15 8052 1 1 17 LYS HB2 H 13.504 -2.815 5.355 1.00 . A A . 17 LYS HB2 1 1 15 8053 1 1 17 LYS HB3 H 12.680 -2.235 6.798 1.00 . A A . 17 LYS HB3 1 1 15 8054 1 1 17 LYS HD2 H 12.663 -5.842 7.339 1.00 . A A . 17 LYS HD2 1 1 15 8055 1 1 17 LYS HD3 H 13.923 -4.615 7.104 1.00 . A A . 17 LYS HD3 1 1 15 8056 1 1 17 LYS HE2 H 12.743 -3.106 8.635 1.00 . A A . 17 LYS HE2 1 1 15 8057 1 1 17 LYS HE3 H 11.475 -4.308 8.846 1.00 . A A . 17 LYS HE3 1 1 15 8058 1 1 17 LYS HG2 H 11.047 -4.103 6.396 1.00 . A A . 17 LYS HG2 1 1 15 8059 1 1 17 LYS HG3 H 12.224 -4.760 5.288 1.00 . A A . 17 LYS HG3 1 1 15 8060 1 1 17 LYS HZ1 H 12.986 -4.394 10.677 1.00 . A A . 17 LYS HZ1 1 1 15 8061 1 1 17 LYS HZ2 H 14.313 -4.595 9.640 1.00 . A A . 17 LYS HZ2 1 1 15 8062 1 1 17 LYS HZ3 H 13.147 -5.807 9.765 1.00 . A A . 17 LYS HZ3 1 1 15 8063 1 1 17 LYS N N 11.102 -2.895 3.924 1.00 . A A . 17 LYS N 1 1 15 8064 1 1 17 LYS NZ N 13.297 -4.778 9.762 1.00 . A A . 17 LYS NZ 1 1 15 8065 1 1 17 LYS O O 12.068 0.293 5.064 1.00 . A A . 17 LYS O 1 1 15 8066 1 1 18 HIS C C 12.433 1.012 1.857 1.00 . A A . 18 HIS C 1 1 15 8067 1 1 18 HIS CA C 13.451 0.215 2.674 1.00 . A A . 18 HIS CA 1 1 15 8068 1 1 18 HIS CB C 14.605 -0.250 1.759 1.00 . A A . 18 HIS CB 1 1 15 8069 1 1 18 HIS CD2 C 16.464 -0.496 3.549 1.00 . A A . 18 HIS CD2 1 1 15 8070 1 1 18 HIS CE1 C 17.290 -2.403 2.948 1.00 . A A . 18 HIS CE1 1 1 15 8071 1 1 18 HIS CG C 15.740 -0.918 2.482 1.00 . A A . 18 HIS CG 1 1 15 8072 1 1 18 HIS H H 12.865 -1.838 3.022 1.00 . A A . 18 HIS H 1 1 15 8073 1 1 18 HIS HA H 13.854 0.861 3.439 1.00 . A A . 18 HIS HA 1 1 15 8074 1 1 18 HIS HB2 H 14.229 -0.938 1.016 1.00 . A A . 18 HIS HB2 1 1 15 8075 1 1 18 HIS HB3 H 15.004 0.616 1.250 1.00 . A A . 18 HIS HB3 1 1 15 8076 1 1 18 HIS HD1 H 15.978 -2.701 1.375 1.00 . A A . 18 HIS HD1 1 1 15 8077 1 1 18 HIS HD2 H 16.310 0.422 4.095 1.00 . A A . 18 HIS HD2 1 1 15 8078 1 1 18 HIS HE1 H 17.904 -3.290 2.897 1.00 . A A . 18 HIS HE1 1 1 15 8079 1 1 18 HIS N N 12.814 -0.916 3.358 1.00 . A A . 18 HIS N 1 1 15 8080 1 1 18 HIS ND1 N 16.280 -2.132 2.116 1.00 . A A . 18 HIS ND1 1 1 15 8081 1 1 18 HIS NE2 N 17.445 -1.441 3.842 1.00 . A A . 18 HIS NE2 1 1 15 8082 1 1 18 HIS O O 12.789 1.932 1.127 1.00 . A A . 18 HIS O 1 1 15 8083 1 1 19 LEU C C 8.983 1.701 2.180 1.00 . A A . 19 LEU C 1 1 15 8084 1 1 19 LEU CA C 10.119 1.318 1.259 1.00 . A A . 19 LEU CA 1 1 15 8085 1 1 19 LEU CB C 9.582 0.429 0.115 1.00 . A A . 19 LEU CB 1 1 15 8086 1 1 19 LEU CD1 C 11.358 -1.033 -0.941 1.00 . A A . 19 LEU CD1 1 1 15 8087 1 1 19 LEU CD2 C 9.700 0.149 -2.359 1.00 . A A . 19 LEU CD2 1 1 15 8088 1 1 19 LEU CG C 10.501 0.204 -1.090 1.00 . A A . 19 LEU CG 1 1 15 8089 1 1 19 LEU H H 10.920 -0.026 2.636 1.00 . A A . 19 LEU H 1 1 15 8090 1 1 19 LEU HA H 10.509 2.232 0.832 1.00 . A A . 19 LEU HA 1 1 15 8091 1 1 19 LEU HB2 H 9.368 -0.539 0.545 1.00 . A A . 19 LEU HB2 1 1 15 8092 1 1 19 LEU HB3 H 8.648 0.847 -0.231 1.00 . A A . 19 LEU HB3 1 1 15 8093 1 1 19 LEU HD11 H 11.949 -0.978 -0.040 1.00 . A A . 19 LEU HD11 1 1 15 8094 1 1 19 LEU HD12 H 12.005 -1.097 -1.806 1.00 . A A . 19 LEU HD12 1 1 15 8095 1 1 19 LEU HD13 H 10.715 -1.900 -0.922 1.00 . A A . 19 LEU HD13 1 1 15 8096 1 1 19 LEU HD21 H 10.364 -0.015 -3.196 1.00 . A A . 19 LEU HD21 1 1 15 8097 1 1 19 LEU HD22 H 9.176 1.084 -2.494 1.00 . A A . 19 LEU HD22 1 1 15 8098 1 1 19 LEU HD23 H 8.988 -0.660 -2.302 1.00 . A A . 19 LEU HD23 1 1 15 8099 1 1 19 LEU HG H 11.174 1.046 -1.165 1.00 . A A . 19 LEU HG 1 1 15 8100 1 1 19 LEU N N 11.173 0.668 1.991 1.00 . A A . 19 LEU N 1 1 15 8101 1 1 19 LEU O O 9.036 1.463 3.389 1.00 . A A . 19 LEU O 1 1 15 8102 1 1 20 GLY C C 5.621 2.598 1.450 1.00 . A A . 20 GLY C 1 1 15 8103 1 1 20 GLY CA C 6.817 2.680 2.337 1.00 . A A . 20 GLY CA 1 1 15 8104 1 1 20 GLY H H 8.009 2.491 0.645 1.00 . A A . 20 GLY H 1 1 15 8105 1 1 20 GLY HA2 H 6.688 2.033 3.193 1.00 . A A . 20 GLY HA2 1 1 15 8106 1 1 20 GLY HA3 H 6.937 3.703 2.657 1.00 . A A . 20 GLY HA3 1 1 15 8107 1 1 20 GLY N N 7.980 2.296 1.610 1.00 . A A . 20 GLY N 1 1 15 8108 1 1 20 GLY O O 5.769 2.558 0.225 1.00 . A A . 20 GLY O 1 1 15 8109 1 1 21 CYS C C 2.689 3.831 0.992 1.00 . A A . 21 CYS C 1 1 15 8110 1 1 21 CYS CA C 3.263 2.466 1.247 1.00 . A A . 21 CYS CA 1 1 15 8111 1 1 21 CYS CB C 2.243 1.586 1.992 1.00 . A A . 21 CYS CB 1 1 15 8112 1 1 21 CYS H H 4.348 2.690 2.991 1.00 . A A . 21 CYS H 1 1 15 8113 1 1 21 CYS HA H 3.503 1.993 0.307 1.00 . A A . 21 CYS HA 1 1 15 8114 1 1 21 CYS HB2 H 2.662 0.597 2.097 1.00 . A A . 21 CYS HB2 1 1 15 8115 1 1 21 CYS HB3 H 2.049 1.992 2.976 1.00 . A A . 21 CYS HB3 1 1 15 8116 1 1 21 CYS N N 4.461 2.583 2.019 1.00 . A A . 21 CYS N 1 1 15 8117 1 1 21 CYS O O 2.417 4.570 1.926 1.00 . A A . 21 CYS O 1 1 15 8118 1 1 21 CYS SG S 0.640 1.377 1.156 1.00 . A A . 21 CYS SG 1 1 15 8119 1 1 22 LYS C C 0.451 5.137 -0.521 1.00 . A A . 22 LYS C 1 1 15 8120 1 1 22 LYS CA C 1.874 5.428 -0.556 1.00 . A A . 22 LYS CA 1 1 15 8121 1 1 22 LYS CB C 2.252 6.036 -1.897 1.00 . A A . 22 LYS CB 1 1 15 8122 1 1 22 LYS CD C 3.835 7.731 -0.943 1.00 . A A . 22 LYS CD 1 1 15 8123 1 1 22 LYS CE C 5.283 8.193 -0.918 1.00 . A A . 22 LYS CE 1 1 15 8124 1 1 22 LYS CG C 3.635 6.575 -1.925 1.00 . A A . 22 LYS CG 1 1 15 8125 1 1 22 LYS H H 2.872 3.638 -0.996 1.00 . A A . 22 LYS H 1 1 15 8126 1 1 22 LYS HA H 2.092 6.124 0.238 1.00 . A A . 22 LYS HA 1 1 15 8127 1 1 22 LYS HB2 H 2.171 5.269 -2.655 1.00 . A A . 22 LYS HB2 1 1 15 8128 1 1 22 LYS HB3 H 1.562 6.830 -2.134 1.00 . A A . 22 LYS HB3 1 1 15 8129 1 1 22 LYS HD2 H 3.213 8.560 -1.240 1.00 . A A . 22 LYS HD2 1 1 15 8130 1 1 22 LYS HD3 H 3.559 7.412 0.051 1.00 . A A . 22 LYS HD3 1 1 15 8131 1 1 22 LYS HE2 H 5.911 7.358 -0.649 1.00 . A A . 22 LYS HE2 1 1 15 8132 1 1 22 LYS HE3 H 5.552 8.540 -1.905 1.00 . A A . 22 LYS HE3 1 1 15 8133 1 1 22 LYS HG2 H 4.211 5.735 -1.584 1.00 . A A . 22 LYS HG2 1 1 15 8134 1 1 22 LYS HG3 H 3.879 6.869 -2.933 1.00 . A A . 22 LYS HG3 1 1 15 8135 1 1 22 LYS HZ1 H 5.107 9.040 0.986 1.00 . A A . 22 LYS HZ1 1 1 15 8136 1 1 22 LYS HZ2 H 5.079 10.181 -0.252 1.00 . A A . 22 LYS HZ2 1 1 15 8137 1 1 22 LYS HZ3 H 6.528 9.430 0.194 1.00 . A A . 22 LYS HZ3 1 1 15 8138 1 1 22 LYS N N 2.553 4.207 -0.258 1.00 . A A . 22 LYS N 1 1 15 8139 1 1 22 LYS NZ N 5.502 9.283 0.054 1.00 . A A . 22 LYS NZ 1 1 15 8140 1 1 22 LYS O O -0.089 4.510 -1.439 1.00 . A A . 22 LYS O 1 1 15 8141 1 1 23 ARG C C -2.449 6.086 -0.164 1.00 . A A . 23 ARG C 1 1 15 8142 1 1 23 ARG CA C -1.544 5.309 0.770 1.00 . A A . 23 ARG CA 1 1 15 8143 1 1 23 ARG CB C -1.929 5.577 2.248 1.00 . A A . 23 ARG CB 1 1 15 8144 1 1 23 ARG CD C 0.193 5.809 3.648 1.00 . A A . 23 ARG CD 1 1 15 8145 1 1 23 ARG CG C -1.021 4.934 3.323 1.00 . A A . 23 ARG CG 1 1 15 8146 1 1 23 ARG CZ C 1.347 5.977 5.856 1.00 . A A . 23 ARG CZ 1 1 15 8147 1 1 23 ARG H H 0.325 6.213 1.096 1.00 . A A . 23 ARG H 1 1 15 8148 1 1 23 ARG HA H -1.679 4.260 0.562 1.00 . A A . 23 ARG HA 1 1 15 8149 1 1 23 ARG HB2 H -1.921 6.644 2.410 1.00 . A A . 23 ARG HB2 1 1 15 8150 1 1 23 ARG HB3 H -2.938 5.221 2.402 1.00 . A A . 23 ARG HB3 1 1 15 8151 1 1 23 ARG HD2 H 0.825 5.864 2.774 1.00 . A A . 23 ARG HD2 1 1 15 8152 1 1 23 ARG HD3 H -0.156 6.797 3.905 1.00 . A A . 23 ARG HD3 1 1 15 8153 1 1 23 ARG HE H 1.356 4.368 4.618 1.00 . A A . 23 ARG HE 1 1 15 8154 1 1 23 ARG HG2 H -1.587 4.777 4.227 1.00 . A A . 23 ARG HG2 1 1 15 8155 1 1 23 ARG HG3 H -0.671 3.983 2.950 1.00 . A A . 23 ARG HG3 1 1 15 8156 1 1 23 ARG HH11 H 0.373 7.694 5.325 1.00 . A A . 23 ARG HH11 1 1 15 8157 1 1 23 ARG HH12 H 1.175 7.778 6.821 1.00 . A A . 23 ARG HH12 1 1 15 8158 1 1 23 ARG HH21 H 2.403 4.449 6.702 1.00 . A A . 23 ARG HH21 1 1 15 8159 1 1 23 ARG HH22 H 2.361 5.882 7.637 1.00 . A A . 23 ARG HH22 1 1 15 8160 1 1 23 ARG N N -0.175 5.612 0.503 1.00 . A A . 23 ARG N 1 1 15 8161 1 1 23 ARG NE N 1.018 5.285 4.748 1.00 . A A . 23 ARG NE 1 1 15 8162 1 1 23 ARG NH1 N 0.936 7.231 6.016 1.00 . A A . 23 ARG NH1 1 1 15 8163 1 1 23 ARG NH2 N 2.083 5.406 6.798 1.00 . A A . 23 ARG NH2 1 1 15 8164 1 1 23 ARG O O -3.664 5.928 -0.138 1.00 . A A . 23 ARG O 1 1 15 8165 1 1 24 LYS C C -2.785 6.944 -3.207 1.00 . A A . 24 LYS C 1 1 15 8166 1 1 24 LYS CA C -2.644 7.708 -1.915 1.00 . A A . 24 LYS CA 1 1 15 8167 1 1 24 LYS CB C -1.991 9.070 -2.140 1.00 . A A . 24 LYS CB 1 1 15 8168 1 1 24 LYS CD C -2.087 11.369 -3.141 1.00 . A A . 24 LYS CD 1 1 15 8169 1 1 24 LYS CE C -0.632 11.308 -3.585 1.00 . A A . 24 LYS CE 1 1 15 8170 1 1 24 LYS CG C -2.729 9.990 -3.100 1.00 . A A . 24 LYS CG 1 1 15 8171 1 1 24 LYS H H -0.867 6.984 -1.001 1.00 . A A . 24 LYS H 1 1 15 8172 1 1 24 LYS HA H -3.623 7.848 -1.482 1.00 . A A . 24 LYS HA 1 1 15 8173 1 1 24 LYS HB2 H -1.900 9.577 -1.191 1.00 . A A . 24 LYS HB2 1 1 15 8174 1 1 24 LYS HB3 H -1.003 8.892 -2.536 1.00 . A A . 24 LYS HB3 1 1 15 8175 1 1 24 LYS HD2 H -2.636 11.995 -3.829 1.00 . A A . 24 LYS HD2 1 1 15 8176 1 1 24 LYS HD3 H -2.136 11.795 -2.150 1.00 . A A . 24 LYS HD3 1 1 15 8177 1 1 24 LYS HE2 H -0.087 10.659 -2.916 1.00 . A A . 24 LYS HE2 1 1 15 8178 1 1 24 LYS HE3 H -0.596 10.906 -4.585 1.00 . A A . 24 LYS HE3 1 1 15 8179 1 1 24 LYS HG2 H -2.696 9.558 -4.089 1.00 . A A . 24 LYS HG2 1 1 15 8180 1 1 24 LYS HG3 H -3.756 10.084 -2.781 1.00 . A A . 24 LYS HG3 1 1 15 8181 1 1 24 LYS HZ1 H -0.477 13.295 -4.208 1.00 . A A . 24 LYS HZ1 1 1 15 8182 1 1 24 LYS HZ2 H 0.995 12.561 -3.870 1.00 . A A . 24 LYS HZ2 1 1 15 8183 1 1 24 LYS HZ3 H -0.014 13.033 -2.611 1.00 . A A . 24 LYS HZ3 1 1 15 8184 1 1 24 LYS N N -1.859 6.928 -0.989 1.00 . A A . 24 LYS N 1 1 15 8185 1 1 24 LYS NZ N 0.004 12.632 -3.569 1.00 . A A . 24 LYS NZ 1 1 15 8186 1 1 24 LYS O O -3.799 7.015 -3.905 1.00 . A A . 24 LYS O 1 1 15 8187 1 1 25 MET C C -1.803 3.970 -4.535 1.00 . A A . 25 MET C 1 1 15 8188 1 1 25 MET CA C -1.695 5.465 -4.740 1.00 . A A . 25 MET CA 1 1 15 8189 1 1 25 MET CB C -0.409 5.816 -5.461 1.00 . A A . 25 MET CB 1 1 15 8190 1 1 25 MET CE C -1.549 6.340 -8.380 1.00 . A A . 25 MET CE 1 1 15 8191 1 1 25 MET CG C -0.353 7.235 -6.013 1.00 . A A . 25 MET CG 1 1 15 8192 1 1 25 MET H H -1.049 6.090 -2.841 1.00 . A A . 25 MET H 1 1 15 8193 1 1 25 MET HA H -2.521 5.790 -5.354 1.00 . A A . 25 MET HA 1 1 15 8194 1 1 25 MET HB2 H 0.412 5.691 -4.771 1.00 . A A . 25 MET HB2 1 1 15 8195 1 1 25 MET HB3 H -0.274 5.117 -6.266 1.00 . A A . 25 MET HB3 1 1 15 8196 1 1 25 MET HE1 H -2.324 6.458 -9.124 1.00 . A A . 25 MET HE1 1 1 15 8197 1 1 25 MET HE2 H -1.639 5.366 -7.924 1.00 . A A . 25 MET HE2 1 1 15 8198 1 1 25 MET HE3 H -0.582 6.432 -8.850 1.00 . A A . 25 MET HE3 1 1 15 8199 1 1 25 MET HG2 H -0.376 7.929 -5.185 1.00 . A A . 25 MET HG2 1 1 15 8200 1 1 25 MET HG3 H 0.572 7.360 -6.557 1.00 . A A . 25 MET HG3 1 1 15 8201 1 1 25 MET N N -1.768 6.184 -3.499 1.00 . A A . 25 MET N 1 1 15 8202 1 1 25 MET O O -1.912 3.211 -5.496 1.00 . A A . 25 MET O 1 1 15 8203 1 1 25 MET SD S -1.735 7.615 -7.121 1.00 . A A . 25 MET SD 1 1 15 8204 1 1 26 LYS C C -0.700 1.345 -3.390 1.00 . A A . 26 LYS C 1 1 15 8205 1 1 26 LYS CA C -1.837 2.173 -2.860 1.00 . A A . 26 LYS CA 1 1 15 8206 1 1 26 LYS CB C -3.211 1.577 -3.187 1.00 . A A . 26 LYS CB 1 1 15 8207 1 1 26 LYS CD C -4.095 2.353 -0.986 1.00 . A A . 26 LYS CD 1 1 15 8208 1 1 26 LYS CE C -5.185 3.114 -0.242 1.00 . A A . 26 LYS CE 1 1 15 8209 1 1 26 LYS CG C -4.344 2.301 -2.481 1.00 . A A . 26 LYS CG 1 1 15 8210 1 1 26 LYS H H -1.588 4.227 -2.576 1.00 . A A . 26 LYS H 1 1 15 8211 1 1 26 LYS HA H -1.704 2.164 -1.789 1.00 . A A . 26 LYS HA 1 1 15 8212 1 1 26 LYS HB2 H -3.373 1.639 -4.253 1.00 . A A . 26 LYS HB2 1 1 15 8213 1 1 26 LYS HB3 H -3.226 0.541 -2.886 1.00 . A A . 26 LYS HB3 1 1 15 8214 1 1 26 LYS HD2 H -4.014 1.348 -0.599 1.00 . A A . 26 LYS HD2 1 1 15 8215 1 1 26 LYS HD3 H -3.152 2.863 -0.845 1.00 . A A . 26 LYS HD3 1 1 15 8216 1 1 26 LYS HE2 H -4.962 3.093 0.815 1.00 . A A . 26 LYS HE2 1 1 15 8217 1 1 26 LYS HE3 H -5.176 4.139 -0.582 1.00 . A A . 26 LYS HE3 1 1 15 8218 1 1 26 LYS HG2 H -4.403 3.311 -2.860 1.00 . A A . 26 LYS HG2 1 1 15 8219 1 1 26 LYS HG3 H -5.271 1.782 -2.670 1.00 . A A . 26 LYS HG3 1 1 15 8220 1 1 26 LYS HZ1 H -7.230 3.094 0.081 1.00 . A A . 26 LYS HZ1 1 1 15 8221 1 1 26 LYS HZ2 H -6.570 1.556 -0.129 1.00 . A A . 26 LYS HZ2 1 1 15 8222 1 1 26 LYS HZ3 H -6.793 2.571 -1.457 1.00 . A A . 26 LYS HZ3 1 1 15 8223 1 1 26 LYS N N -1.738 3.565 -3.283 1.00 . A A . 26 LYS N 1 1 15 8224 1 1 26 LYS NZ N -6.527 2.543 -0.452 1.00 . A A . 26 LYS NZ 1 1 15 8225 1 1 26 LYS O O -0.855 0.161 -3.696 1.00 . A A . 26 LYS O 1 1 15 8226 1 1 27 TYR C C 2.835 1.635 -3.109 1.00 . A A . 27 TYR C 1 1 15 8227 1 1 27 TYR CA C 1.630 1.222 -3.874 1.00 . A A . 27 TYR CA 1 1 15 8228 1 1 27 TYR CB C 1.906 1.228 -5.407 1.00 . A A . 27 TYR CB 1 1 15 8229 1 1 27 TYR CD1 C 1.475 3.226 -6.885 1.00 . A A . 27 TYR CD1 1 1 15 8230 1 1 27 TYR CD2 C 3.610 3.055 -5.867 1.00 . A A . 27 TYR CD2 1 1 15 8231 1 1 27 TYR CE1 C 1.871 4.393 -7.510 1.00 . A A . 27 TYR CE1 1 1 15 8232 1 1 27 TYR CE2 C 4.009 4.218 -6.473 1.00 . A A . 27 TYR CE2 1 1 15 8233 1 1 27 TYR CG C 2.330 2.538 -6.057 1.00 . A A . 27 TYR CG 1 1 15 8234 1 1 27 TYR CZ C 3.139 4.885 -7.297 1.00 . A A . 27 TYR CZ 1 1 15 8235 1 1 27 TYR H H 0.489 2.861 -3.075 1.00 . A A . 27 TYR H 1 1 15 8236 1 1 27 TYR HA H 1.439 0.202 -3.571 1.00 . A A . 27 TYR HA 1 1 15 8237 1 1 27 TYR HB2 H 2.710 0.528 -5.585 1.00 . A A . 27 TYR HB2 1 1 15 8238 1 1 27 TYR HB3 H 1.030 0.849 -5.905 1.00 . A A . 27 TYR HB3 1 1 15 8239 1 1 27 TYR HD1 H 0.481 2.838 -7.042 1.00 . A A . 27 TYR HD1 1 1 15 8240 1 1 27 TYR HD2 H 4.295 2.530 -5.217 1.00 . A A . 27 TYR HD2 1 1 15 8241 1 1 27 TYR HE1 H 1.182 4.918 -8.153 1.00 . A A . 27 TYR HE1 1 1 15 8242 1 1 27 TYR HE2 H 5.005 4.601 -6.303 1.00 . A A . 27 TYR HE2 1 1 15 8243 1 1 27 TYR HH H 4.447 5.918 -8.223 1.00 . A A . 27 TYR HH 1 1 15 8244 1 1 27 TYR N N 0.453 1.947 -3.440 1.00 . A A . 27 TYR N 1 1 15 8245 1 1 27 TYR O O 2.886 2.735 -2.545 1.00 . A A . 27 TYR O 1 1 15 8246 1 1 27 TYR OH O 3.538 6.048 -7.914 1.00 . A A . 27 TYR OH 1 1 15 8247 1 1 28 CYS C C 5.944 1.908 -3.128 1.00 . A A . 28 CYS C 1 1 15 8248 1 1 28 CYS CA C 4.994 1.002 -2.375 1.00 . A A . 28 CYS CA 1 1 15 8249 1 1 28 CYS CB C 5.652 -0.328 -2.063 1.00 . A A . 28 CYS CB 1 1 15 8250 1 1 28 CYS H H 3.685 -0.029 -3.654 1.00 . A A . 28 CYS H 1 1 15 8251 1 1 28 CYS HA H 4.727 1.475 -1.442 1.00 . A A . 28 CYS HA 1 1 15 8252 1 1 28 CYS HB2 H 6.033 -0.770 -2.972 1.00 . A A . 28 CYS HB2 1 1 15 8253 1 1 28 CYS HB3 H 6.475 -0.160 -1.384 1.00 . A A . 28 CYS HB3 1 1 15 8254 1 1 28 CYS N N 3.799 0.787 -3.117 1.00 . A A . 28 CYS N 1 1 15 8255 1 1 28 CYS O O 6.203 1.711 -4.321 1.00 . A A . 28 CYS O 1 1 15 8256 1 1 28 CYS SG S 4.526 -1.520 -1.279 1.00 . A A . 28 CYS SG 1 1 15 8257 1 1 29 ALA C C 8.573 3.739 -2.011 1.00 . A A . 29 ALA C 1 1 15 8258 1 1 29 ALA CA C 7.391 3.828 -2.945 1.00 . A A . 29 ALA CA 1 1 15 8259 1 1 29 ALA CB C 6.812 5.231 -2.977 1.00 . A A . 29 ALA CB 1 1 15 8260 1 1 29 ALA H H 6.123 2.999 -1.507 1.00 . A A . 29 ALA H 1 1 15 8261 1 1 29 ALA HA H 7.679 3.520 -3.939 1.00 . A A . 29 ALA HA 1 1 15 8262 1 1 29 ALA HB1 H 5.941 5.241 -3.615 1.00 . A A . 29 ALA HB1 1 1 15 8263 1 1 29 ALA HB2 H 7.549 5.910 -3.376 1.00 . A A . 29 ALA HB2 1 1 15 8264 1 1 29 ALA HB3 H 6.537 5.534 -1.978 1.00 . A A . 29 ALA HB3 1 1 15 8265 1 1 29 ALA N N 6.418 2.901 -2.442 1.00 . A A . 29 ALA N 1 1 15 8266 1 1 29 ALA O O 8.523 2.956 -1.082 1.00 . A A . 29 ALA O 1 1 15 8267 1 1 30 TRP C C 10.629 5.050 0.042 1.00 . A A . 30 TRP C 1 1 15 8268 1 1 30 TRP CA C 10.794 4.420 -1.331 1.00 . A A . 30 TRP CA 1 1 15 8269 1 1 30 TRP CB C 12.032 4.967 -2.020 1.00 . A A . 30 TRP CB 1 1 15 8270 1 1 30 TRP CD1 C 12.306 4.484 -4.486 1.00 . A A . 30 TRP CD1 1 1 15 8271 1 1 30 TRP CD2 C 13.063 2.903 -3.150 1.00 . A A . 30 TRP CD2 1 1 15 8272 1 1 30 TRP CE2 C 13.297 2.492 -4.461 1.00 . A A . 30 TRP CE2 1 1 15 8273 1 1 30 TRP CE3 C 13.433 2.097 -2.118 1.00 . A A . 30 TRP CE3 1 1 15 8274 1 1 30 TRP CG C 12.449 4.169 -3.194 1.00 . A A . 30 TRP CG 1 1 15 8275 1 1 30 TRP CH2 C 14.267 0.479 -3.701 1.00 . A A . 30 TRP CH2 1 1 15 8276 1 1 30 TRP CZ2 C 13.904 1.272 -4.762 1.00 . A A . 30 TRP CZ2 1 1 15 8277 1 1 30 TRP CZ3 C 14.033 0.885 -2.384 1.00 . A A . 30 TRP CZ3 1 1 15 8278 1 1 30 TRP H H 9.556 5.275 -2.839 1.00 . A A . 30 TRP H 1 1 15 8279 1 1 30 TRP HA H 10.934 3.360 -1.186 1.00 . A A . 30 TRP HA 1 1 15 8280 1 1 30 TRP HB2 H 11.859 5.978 -2.346 1.00 . A A . 30 TRP HB2 1 1 15 8281 1 1 30 TRP HB3 H 12.848 4.963 -1.313 1.00 . A A . 30 TRP HB3 1 1 15 8282 1 1 30 TRP HD1 H 11.850 5.406 -4.811 1.00 . A A . 30 TRP HD1 1 1 15 8283 1 1 30 TRP HE1 H 12.852 3.482 -6.255 1.00 . A A . 30 TRP HE1 1 1 15 8284 1 1 30 TRP HE3 H 13.217 2.470 -1.129 1.00 . A A . 30 TRP HE3 1 1 15 8285 1 1 30 TRP HH2 H 14.739 -0.479 -3.860 1.00 . A A . 30 TRP HH2 1 1 15 8286 1 1 30 TRP HZ2 H 14.088 0.954 -5.777 1.00 . A A . 30 TRP HZ2 1 1 15 8287 1 1 30 TRP HZ3 H 14.330 0.238 -1.572 1.00 . A A . 30 TRP HZ3 1 1 15 8288 1 1 30 TRP N N 9.592 4.550 -2.176 1.00 . A A . 30 TRP N 1 1 15 8289 1 1 30 TRP NE1 N 12.832 3.483 -5.270 1.00 . A A . 30 TRP NE1 1 1 15 8290 1 1 30 TRP O O 11.600 5.184 0.798 1.00 . A A . 30 TRP O 1 1 15 8291 1 1 31 ASP C C 7.536 6.041 1.591 1.00 . A A . 31 ASP C 1 1 15 8292 1 1 31 ASP CA C 9.033 5.985 1.595 1.00 . A A . 31 ASP CA 1 1 15 8293 1 1 31 ASP CB C 9.591 7.408 1.742 1.00 . A A . 31 ASP CB 1 1 15 8294 1 1 31 ASP CG C 8.968 8.399 0.770 1.00 . A A . 31 ASP CG 1 1 15 8295 1 1 31 ASP H H 8.662 5.286 -0.260 1.00 . A A . 31 ASP H 1 1 15 8296 1 1 31 ASP HA H 9.385 5.363 2.405 1.00 . A A . 31 ASP HA 1 1 15 8297 1 1 31 ASP HB2 H 9.437 7.753 2.753 1.00 . A A . 31 ASP HB2 1 1 15 8298 1 1 31 ASP HB3 H 10.650 7.338 1.540 1.00 . A A . 31 ASP HB3 1 1 15 8299 1 1 31 ASP N N 9.411 5.406 0.360 1.00 . A A . 31 ASP N 1 1 15 8300 1 1 31 ASP O O 6.905 5.832 0.543 1.00 . A A . 31 ASP O 1 1 15 8301 1 1 31 ASP OD1 O 9.449 8.508 -0.376 1.00 . A A . 31 ASP OD1 1 1 15 8302 1 1 31 ASP OD2 O 7.984 9.078 1.121 1.00 . A A . 31 ASP OD2 1 1 15 8303 1 1 32 PHE C C 5.255 7.880 3.252 1.00 . A A . 32 PHE C 1 1 15 8304 1 1 32 PHE CA C 5.564 6.442 2.882 1.00 . A A . 32 PHE CA 1 1 15 8305 1 1 32 PHE CB C 4.944 5.425 3.884 1.00 . A A . 32 PHE CB 1 1 15 8306 1 1 32 PHE CD1 C 5.217 6.093 6.310 1.00 . A A . 32 PHE CD1 1 1 15 8307 1 1 32 PHE CD2 C 6.614 4.373 5.455 1.00 . A A . 32 PHE CD2 1 1 15 8308 1 1 32 PHE CE1 C 5.811 5.964 7.546 1.00 . A A . 32 PHE CE1 1 1 15 8309 1 1 32 PHE CE2 C 7.213 4.243 6.688 1.00 . A A . 32 PHE CE2 1 1 15 8310 1 1 32 PHE CG C 5.610 5.302 5.246 1.00 . A A . 32 PHE CG 1 1 15 8311 1 1 32 PHE CZ C 6.811 5.039 7.735 1.00 . A A . 32 PHE CZ 1 1 15 8312 1 1 32 PHE H H 7.607 6.335 3.473 1.00 . A A . 32 PHE H 1 1 15 8313 1 1 32 PHE HA H 5.136 6.272 1.904 1.00 . A A . 32 PHE HA 1 1 15 8314 1 1 32 PHE HB2 H 3.918 5.707 4.066 1.00 . A A . 32 PHE HB2 1 1 15 8315 1 1 32 PHE HB3 H 4.948 4.449 3.422 1.00 . A A . 32 PHE HB3 1 1 15 8316 1 1 32 PHE HD1 H 4.434 6.824 6.161 1.00 . A A . 32 PHE HD1 1 1 15 8317 1 1 32 PHE HD2 H 6.936 3.743 4.640 1.00 . A A . 32 PHE HD2 1 1 15 8318 1 1 32 PHE HE1 H 5.496 6.586 8.368 1.00 . A A . 32 PHE HE1 1 1 15 8319 1 1 32 PHE HE2 H 7.997 3.515 6.830 1.00 . A A . 32 PHE HE2 1 1 15 8320 1 1 32 PHE HZ H 7.279 4.937 8.703 1.00 . A A . 32 PHE HZ 1 1 15 8321 1 1 32 PHE N N 6.987 6.268 2.721 1.00 . A A . 32 PHE N 1 1 15 8322 1 1 32 PHE O O 4.487 8.561 2.560 1.00 . A A . 32 PHE O 1 1 15 8323 1 1 33 THR C C 7.094 10.065 5.379 1.00 . A A . 33 THR C 1 1 15 8324 1 1 33 THR CA C 5.758 9.672 4.786 1.00 . A A . 33 THR CA 1 1 15 8325 1 1 33 THR CB C 4.662 9.740 5.893 1.00 . A A . 33 THR CB 1 1 15 8326 1 1 33 THR CG2 C 4.512 11.153 6.427 1.00 . A A . 33 THR CG2 1 1 15 8327 1 1 33 THR H H 6.554 7.778 4.754 1.00 . A A . 33 THR H 1 1 15 8328 1 1 33 THR HA H 5.499 10.335 3.973 1.00 . A A . 33 THR HA 1 1 15 8329 1 1 33 THR HB H 4.958 9.087 6.700 1.00 . A A . 33 THR HB 1 1 15 8330 1 1 33 THR HG1 H 2.775 9.259 6.117 1.00 . A A . 33 THR HG1 1 1 15 8331 1 1 33 THR HG21 H 4.231 11.815 5.622 1.00 . A A . 33 THR HG21 1 1 15 8332 1 1 33 THR HG22 H 5.450 11.477 6.851 1.00 . A A . 33 THR HG22 1 1 15 8333 1 1 33 THR HG23 H 3.746 11.167 7.189 1.00 . A A . 33 THR HG23 1 1 15 8334 1 1 33 THR N N 5.906 8.345 4.281 1.00 . A A . 33 THR N 1 1 15 8335 1 1 33 THR O O 7.494 9.540 6.411 1.00 . A A . 33 THR O 1 1 15 8336 1 1 33 THR OG1 O 3.391 9.298 5.374 1.00 . A A . 33 THR OG1 1 1 15 8337 1 1 34 PHE C C 8.983 12.293 6.330 1.00 . A A . 34 PHE C 1 1 15 8338 1 1 34 PHE CA C 9.101 11.332 5.158 1.00 . A A . 34 PHE CA 1 1 15 8339 1 1 34 PHE CB C 9.914 11.951 4.007 1.00 . A A . 34 PHE CB 1 1 15 8340 1 1 34 PHE CD1 C 11.641 13.664 4.656 1.00 . A A . 34 PHE CD1 1 1 15 8341 1 1 34 PHE CD2 C 12.329 11.395 4.430 1.00 . A A . 34 PHE CD2 1 1 15 8342 1 1 34 PHE CE1 C 12.930 14.027 4.992 1.00 . A A . 34 PHE CE1 1 1 15 8343 1 1 34 PHE CE2 C 13.620 11.751 4.764 1.00 . A A . 34 PHE CE2 1 1 15 8344 1 1 34 PHE CG C 11.324 12.345 4.372 1.00 . A A . 34 PHE CG 1 1 15 8345 1 1 34 PHE CZ C 13.921 13.068 5.046 1.00 . A A . 34 PHE CZ 1 1 15 8346 1 1 34 PHE H H 7.434 11.295 3.875 1.00 . A A . 34 PHE H 1 1 15 8347 1 1 34 PHE HA H 9.612 10.447 5.502 1.00 . A A . 34 PHE HA 1 1 15 8348 1 1 34 PHE HB2 H 9.971 11.242 3.193 1.00 . A A . 34 PHE HB2 1 1 15 8349 1 1 34 PHE HB3 H 9.399 12.837 3.663 1.00 . A A . 34 PHE HB3 1 1 15 8350 1 1 34 PHE HD1 H 10.864 14.412 4.615 1.00 . A A . 34 PHE HD1 1 1 15 8351 1 1 34 PHE HD2 H 12.094 10.366 4.208 1.00 . A A . 34 PHE HD2 1 1 15 8352 1 1 34 PHE HE1 H 13.161 15.058 5.211 1.00 . A A . 34 PHE HE1 1 1 15 8353 1 1 34 PHE HE2 H 14.395 10.998 4.805 1.00 . A A . 34 PHE HE2 1 1 15 8354 1 1 34 PHE HZ H 14.930 13.349 5.308 1.00 . A A . 34 PHE HZ 1 1 15 8355 1 1 34 PHE N N 7.801 10.925 4.707 1.00 . A A . 34 PHE N 1 1 15 8356 1 1 34 PHE O O 8.615 13.464 6.164 1.00 . A A . 34 PHE O 1 1 15 8357 1 1 35 THR C C 10.702 12.793 9.123 1.00 . A A . 35 THR C 1 1 15 8358 1 1 35 THR CA C 9.246 12.580 8.698 1.00 . A A . 35 THR CA 1 1 15 8359 1 1 35 THR CB C 8.471 11.883 9.830 1.00 . A A . 35 THR CB 1 1 15 8360 1 1 35 THR CG2 C 8.374 12.783 11.056 1.00 . A A . 35 THR CG2 1 1 15 8361 1 1 35 THR H H 9.367 10.812 7.580 1.00 . A A . 35 THR H 1 1 15 8362 1 1 35 THR HA H 8.785 13.534 8.484 1.00 . A A . 35 THR HA 1 1 15 8363 1 1 35 THR HB H 8.983 10.969 10.095 1.00 . A A . 35 THR HB 1 1 15 8364 1 1 35 THR HG1 H 6.860 12.277 8.773 1.00 . A A . 35 THR HG1 1 1 15 8365 1 1 35 THR HG21 H 7.846 12.266 11.844 1.00 . A A . 35 THR HG21 1 1 15 8366 1 1 35 THR HG22 H 7.838 13.682 10.795 1.00 . A A . 35 THR HG22 1 1 15 8367 1 1 35 THR HG23 H 9.367 13.041 11.394 1.00 . A A . 35 THR HG23 1 1 15 8368 1 1 35 THR N N 9.219 11.780 7.501 1.00 . A A . 35 THR N 1 1 15 8369 1 1 35 THR O O 11.624 12.196 8.518 1.00 . A A . 35 THR O 1 1 15 8370 1 1 35 THR OG1 O 7.136 11.567 9.371 1.00 . A A . 35 THR OG1 1 1 16 8371 1 1 1 ASP C C 6.546 -10.063 1.245 1.00 . A A . 1 ASP C 1 1 16 8372 1 1 1 ASP CA C 7.110 -11.423 1.469 1.00 . A A . 1 ASP CA 1 1 16 8373 1 1 1 ASP CB C 6.368 -12.433 0.599 1.00 . A A . 1 ASP CB 1 1 16 8374 1 1 1 ASP CG C 6.977 -13.791 0.652 1.00 . A A . 1 ASP CG 1 1 16 8375 1 1 1 ASP H1 H 6.022 -11.753 3.199 1.00 . A A . 1 ASP H1 1 1 16 8376 1 1 1 ASP H2 H 7.478 -11.012 3.450 1.00 . A A . 1 ASP H2 1 1 16 8377 1 1 1 ASP H3 H 7.447 -12.671 3.129 1.00 . A A . 1 ASP H3 1 1 16 8378 1 1 1 ASP HA H 8.155 -11.411 1.197 1.00 . A A . 1 ASP HA 1 1 16 8379 1 1 1 ASP HB2 H 5.346 -12.509 0.939 1.00 . A A . 1 ASP HB2 1 1 16 8380 1 1 1 ASP HB3 H 6.375 -12.090 -0.425 1.00 . A A . 1 ASP HB3 1 1 16 8381 1 1 1 ASP N N 7.015 -11.757 2.891 1.00 . A A . 1 ASP N 1 1 16 8382 1 1 1 ASP O O 5.324 -9.869 1.249 1.00 . A A . 1 ASP O 1 1 16 8383 1 1 1 ASP OD1 O 6.592 -14.592 1.521 1.00 . A A . 1 ASP OD1 1 1 16 8384 1 1 1 ASP OD2 O 7.852 -14.096 -0.171 1.00 . A A . 1 ASP OD2 1 1 16 8385 1 1 2 CYS C C 6.930 -7.372 -0.530 1.00 . A A . 2 CYS C 1 1 16 8386 1 1 2 CYS CA C 7.008 -7.772 0.913 1.00 . A A . 2 CYS CA 1 1 16 8387 1 1 2 CYS CB C 7.956 -6.878 1.644 1.00 . A A . 2 CYS CB 1 1 16 8388 1 1 2 CYS H H 8.371 -9.303 1.046 1.00 . A A . 2 CYS H 1 1 16 8389 1 1 2 CYS HA H 6.031 -7.629 1.350 1.00 . A A . 2 CYS HA 1 1 16 8390 1 1 2 CYS HB2 H 7.699 -5.865 1.372 1.00 . A A . 2 CYS HB2 1 1 16 8391 1 1 2 CYS HB3 H 7.811 -7.000 2.703 1.00 . A A . 2 CYS HB3 1 1 16 8392 1 1 2 CYS N N 7.407 -9.118 1.074 1.00 . A A . 2 CYS N 1 1 16 8393 1 1 2 CYS O O 7.504 -8.022 -1.430 1.00 . A A . 2 CYS O 1 1 16 8394 1 1 2 CYS SG S 9.713 -7.118 1.219 1.00 . A A . 2 CYS SG 1 1 16 8395 1 1 3 ARG C C 7.112 -4.713 -2.229 1.00 . A A . 3 ARG C 1 1 16 8396 1 1 3 ARG CA C 6.051 -5.753 -2.033 1.00 . A A . 3 ARG CA 1 1 16 8397 1 1 3 ARG CB C 4.659 -5.126 -2.172 1.00 . A A . 3 ARG CB 1 1 16 8398 1 1 3 ARG CD C 3.603 -7.212 -3.097 1.00 . A A . 3 ARG CD 1 1 16 8399 1 1 3 ARG CG C 3.515 -6.121 -2.041 1.00 . A A . 3 ARG CG 1 1 16 8400 1 1 3 ARG CZ C 2.543 -9.423 -3.546 1.00 . A A . 3 ARG CZ 1 1 16 8401 1 1 3 ARG H H 5.775 -5.925 0.040 1.00 . A A . 3 ARG H 1 1 16 8402 1 1 3 ARG HA H 6.171 -6.522 -2.780 1.00 . A A . 3 ARG HA 1 1 16 8403 1 1 3 ARG HB2 H 4.545 -4.388 -1.391 1.00 . A A . 3 ARG HB2 1 1 16 8404 1 1 3 ARG HB3 H 4.585 -4.640 -3.132 1.00 . A A . 3 ARG HB3 1 1 16 8405 1 1 3 ARG HD2 H 3.532 -6.762 -4.077 1.00 . A A . 3 ARG HD2 1 1 16 8406 1 1 3 ARG HD3 H 4.556 -7.708 -3.000 1.00 . A A . 3 ARG HD3 1 1 16 8407 1 1 3 ARG HE H 1.805 -7.946 -2.358 1.00 . A A . 3 ARG HE 1 1 16 8408 1 1 3 ARG HG2 H 3.556 -6.578 -1.063 1.00 . A A . 3 ARG HG2 1 1 16 8409 1 1 3 ARG HG3 H 2.581 -5.592 -2.155 1.00 . A A . 3 ARG HG3 1 1 16 8410 1 1 3 ARG HH11 H 4.271 -9.152 -4.640 1.00 . A A . 3 ARG HH11 1 1 16 8411 1 1 3 ARG HH12 H 3.532 -10.657 -4.853 1.00 . A A . 3 ARG HH12 1 1 16 8412 1 1 3 ARG HH21 H 0.824 -10.056 -2.656 1.00 . A A . 3 ARG HH21 1 1 16 8413 1 1 3 ARG HH22 H 1.528 -11.185 -3.721 1.00 . A A . 3 ARG HH22 1 1 16 8414 1 1 3 ARG N N 6.216 -6.333 -0.743 1.00 . A A . 3 ARG N 1 1 16 8415 1 1 3 ARG NE N 2.543 -8.213 -2.954 1.00 . A A . 3 ARG NE 1 1 16 8416 1 1 3 ARG NH1 N 3.511 -9.762 -4.400 1.00 . A A . 3 ARG NH1 1 1 16 8417 1 1 3 ARG NH2 N 1.569 -10.278 -3.290 1.00 . A A . 3 ARG NH2 1 1 16 8418 1 1 3 ARG O O 7.430 -3.949 -1.298 1.00 . A A . 3 ARG O 1 1 16 8419 1 1 4 TYR C C 8.023 -2.507 -4.260 1.00 . A A . 4 TYR C 1 1 16 8420 1 1 4 TYR CA C 8.672 -3.774 -3.743 1.00 . A A . 4 TYR CA 1 1 16 8421 1 1 4 TYR CB C 9.602 -4.371 -4.764 1.00 . A A . 4 TYR CB 1 1 16 8422 1 1 4 TYR CD1 C 11.340 -5.281 -3.177 1.00 . A A . 4 TYR CD1 1 1 16 8423 1 1 4 TYR CD2 C 10.397 -6.766 -4.789 1.00 . A A . 4 TYR CD2 1 1 16 8424 1 1 4 TYR CE1 C 12.134 -6.290 -2.701 1.00 . A A . 4 TYR CE1 1 1 16 8425 1 1 4 TYR CE2 C 11.191 -7.785 -4.311 1.00 . A A . 4 TYR CE2 1 1 16 8426 1 1 4 TYR CG C 10.453 -5.498 -4.230 1.00 . A A . 4 TYR CG 1 1 16 8427 1 1 4 TYR CZ C 12.059 -7.542 -3.267 1.00 . A A . 4 TYR CZ 1 1 16 8428 1 1 4 TYR H H 7.472 -5.355 -4.096 1.00 . A A . 4 TYR H 1 1 16 8429 1 1 4 TYR HA H 9.238 -3.546 -2.854 1.00 . A A . 4 TYR HA 1 1 16 8430 1 1 4 TYR HB2 H 9.022 -4.728 -5.599 1.00 . A A . 4 TYR HB2 1 1 16 8431 1 1 4 TYR HB3 H 10.249 -3.591 -5.113 1.00 . A A . 4 TYR HB3 1 1 16 8432 1 1 4 TYR HD1 H 11.407 -4.310 -2.707 1.00 . A A . 4 TYR HD1 1 1 16 8433 1 1 4 TYR HD2 H 9.718 -6.951 -5.607 1.00 . A A . 4 TYR HD2 1 1 16 8434 1 1 4 TYR HE1 H 12.808 -6.078 -1.884 1.00 . A A . 4 TYR HE1 1 1 16 8435 1 1 4 TYR HE2 H 11.132 -8.767 -4.757 1.00 . A A . 4 TYR HE2 1 1 16 8436 1 1 4 TYR HH H 12.821 -8.491 -1.819 1.00 . A A . 4 TYR HH 1 1 16 8437 1 1 4 TYR N N 7.690 -4.710 -3.395 1.00 . A A . 4 TYR N 1 1 16 8438 1 1 4 TYR O O 6.802 -2.322 -4.118 1.00 . A A . 4 TYR O 1 1 16 8439 1 1 4 TYR OH O 12.852 -8.561 -2.783 1.00 . A A . 4 TYR OH 1 1 16 8440 1 1 5 MET C C 7.302 -0.591 -6.409 1.00 . A A . 5 MET C 1 1 16 8441 1 1 5 MET CA C 8.296 -0.370 -5.296 1.00 . A A . 5 MET CA 1 1 16 8442 1 1 5 MET CB C 9.407 0.556 -5.769 1.00 . A A . 5 MET CB 1 1 16 8443 1 1 5 MET CE C 9.536 4.664 -5.847 1.00 . A A . 5 MET CE 1 1 16 8444 1 1 5 MET CG C 9.000 2.002 -5.733 1.00 . A A . 5 MET CG 1 1 16 8445 1 1 5 MET H H 9.744 -1.871 -5.037 1.00 . A A . 5 MET H 1 1 16 8446 1 1 5 MET HA H 7.767 0.093 -4.476 1.00 . A A . 5 MET HA 1 1 16 8447 1 1 5 MET HB2 H 10.292 0.435 -5.165 1.00 . A A . 5 MET HB2 1 1 16 8448 1 1 5 MET HB3 H 9.649 0.308 -6.793 1.00 . A A . 5 MET HB3 1 1 16 8449 1 1 5 MET HE1 H 8.536 4.770 -6.239 1.00 . A A . 5 MET HE1 1 1 16 8450 1 1 5 MET HE2 H 10.160 5.470 -6.198 1.00 . A A . 5 MET HE2 1 1 16 8451 1 1 5 MET HE3 H 9.516 4.679 -4.765 1.00 . A A . 5 MET HE3 1 1 16 8452 1 1 5 MET HG2 H 8.102 2.126 -6.319 1.00 . A A . 5 MET HG2 1 1 16 8453 1 1 5 MET HG3 H 8.796 2.257 -4.704 1.00 . A A . 5 MET HG3 1 1 16 8454 1 1 5 MET N N 8.808 -1.640 -4.857 1.00 . A A . 5 MET N 1 1 16 8455 1 1 5 MET O O 7.526 -1.425 -7.281 1.00 . A A . 5 MET O 1 1 16 8456 1 1 5 MET SD S 10.246 3.110 -6.360 1.00 . A A . 5 MET SD 1 1 16 8457 1 1 6 PHE C C 4.225 -1.180 -7.047 1.00 . A A . 6 PHE C 1 1 16 8458 1 1 6 PHE CA C 5.079 0.061 -7.272 1.00 . A A . 6 PHE CA 1 1 16 8459 1 1 6 PHE CB C 5.521 0.216 -8.742 1.00 . A A . 6 PHE CB 1 1 16 8460 1 1 6 PHE CD1 C 5.466 2.672 -9.224 1.00 . A A . 6 PHE CD1 1 1 16 8461 1 1 6 PHE CD2 C 7.579 1.602 -9.031 1.00 . A A . 6 PHE CD2 1 1 16 8462 1 1 6 PHE CE1 C 6.096 3.876 -9.453 1.00 . A A . 6 PHE CE1 1 1 16 8463 1 1 6 PHE CE2 C 8.214 2.795 -9.257 1.00 . A A . 6 PHE CE2 1 1 16 8464 1 1 6 PHE CG C 6.201 1.523 -9.011 1.00 . A A . 6 PHE CG 1 1 16 8465 1 1 6 PHE CZ C 7.473 3.939 -9.468 1.00 . A A . 6 PHE CZ 1 1 16 8466 1 1 6 PHE H H 6.116 0.755 -5.572 1.00 . A A . 6 PHE H 1 1 16 8467 1 1 6 PHE HA H 4.454 0.904 -7.013 1.00 . A A . 6 PHE HA 1 1 16 8468 1 1 6 PHE HB2 H 6.215 -0.575 -8.984 1.00 . A A . 6 PHE HB2 1 1 16 8469 1 1 6 PHE HB3 H 4.657 0.144 -9.386 1.00 . A A . 6 PHE HB3 1 1 16 8470 1 1 6 PHE HD1 H 4.387 2.621 -9.210 1.00 . A A . 6 PHE HD1 1 1 16 8471 1 1 6 PHE HD2 H 8.160 0.709 -8.865 1.00 . A A . 6 PHE HD2 1 1 16 8472 1 1 6 PHE HE1 H 5.510 4.767 -9.616 1.00 . A A . 6 PHE HE1 1 1 16 8473 1 1 6 PHE HE2 H 9.293 2.819 -9.253 1.00 . A A . 6 PHE HE2 1 1 16 8474 1 1 6 PHE HZ H 7.967 4.883 -9.646 1.00 . A A . 6 PHE HZ 1 1 16 8475 1 1 6 PHE N N 6.194 0.130 -6.329 1.00 . A A . 6 PHE N 1 1 16 8476 1 1 6 PHE O O 3.334 -1.488 -7.846 1.00 . A A . 6 PHE O 1 1 16 8477 1 1 7 GLY C C 2.525 -2.510 -4.702 1.00 . A A . 7 GLY C 1 1 16 8478 1 1 7 GLY CA C 3.668 -2.990 -5.554 1.00 . A A . 7 GLY CA 1 1 16 8479 1 1 7 GLY H H 5.258 -1.642 -5.390 1.00 . A A . 7 GLY H 1 1 16 8480 1 1 7 GLY HA2 H 3.275 -3.477 -6.434 1.00 . A A . 7 GLY HA2 1 1 16 8481 1 1 7 GLY HA3 H 4.261 -3.690 -4.985 1.00 . A A . 7 GLY HA3 1 1 16 8482 1 1 7 GLY N N 4.487 -1.874 -5.950 1.00 . A A . 7 GLY N 1 1 16 8483 1 1 7 GLY O O 2.691 -1.554 -3.960 1.00 . A A . 7 GLY O 1 1 16 8484 1 1 8 ASP C C 0.306 -2.851 -2.621 1.00 . A A . 8 ASP C 1 1 16 8485 1 1 8 ASP CA C 0.143 -2.773 -4.107 1.00 . A A . 8 ASP CA 1 1 16 8486 1 1 8 ASP CB C -0.978 -3.679 -4.538 1.00 . A A . 8 ASP CB 1 1 16 8487 1 1 8 ASP CG C -2.317 -3.403 -3.900 1.00 . A A . 8 ASP CG 1 1 16 8488 1 1 8 ASP H H 1.343 -3.919 -5.436 1.00 . A A . 8 ASP H 1 1 16 8489 1 1 8 ASP HA H -0.114 -1.761 -4.381 1.00 . A A . 8 ASP HA 1 1 16 8490 1 1 8 ASP HB2 H -1.078 -3.455 -5.579 1.00 . A A . 8 ASP HB2 1 1 16 8491 1 1 8 ASP HB3 H -0.699 -4.711 -4.391 1.00 . A A . 8 ASP HB3 1 1 16 8492 1 1 8 ASP N N 1.381 -3.151 -4.828 1.00 . A A . 8 ASP N 1 1 16 8493 1 1 8 ASP O O 0.974 -3.766 -2.110 1.00 . A A . 8 ASP O 1 1 16 8494 1 1 8 ASP OD1 O -3.117 -2.627 -4.480 1.00 . A A . 8 ASP OD1 1 1 16 8495 1 1 8 ASP OD2 O -2.631 -3.998 -2.867 1.00 . A A . 8 ASP OD2 1 1 16 8496 1 1 9 CYS C C -1.329 -1.275 0.258 1.00 . A A . 9 CYS C 1 1 16 8497 1 1 9 CYS CA C -0.147 -1.918 -0.480 1.00 . A A . 9 CYS CA 1 1 16 8498 1 1 9 CYS CB C 1.136 -1.180 -0.146 1.00 . A A . 9 CYS CB 1 1 16 8499 1 1 9 CYS H H -0.845 -1.256 -2.390 1.00 . A A . 9 CYS H 1 1 16 8500 1 1 9 CYS HA H -0.034 -2.939 -0.151 1.00 . A A . 9 CYS HA 1 1 16 8501 1 1 9 CYS HB2 H 1.426 -1.346 0.879 1.00 . A A . 9 CYS HB2 1 1 16 8502 1 1 9 CYS HB3 H 1.862 -1.612 -0.824 1.00 . A A . 9 CYS HB3 1 1 16 8503 1 1 9 CYS N N -0.306 -1.930 -1.917 1.00 . A A . 9 CYS N 1 1 16 8504 1 1 9 CYS O O -2.013 -0.383 -0.275 1.00 . A A . 9 CYS O 1 1 16 8505 1 1 9 CYS SG S 1.087 0.622 -0.480 1.00 . A A . 9 CYS SG 1 1 16 8506 1 1 10 GLU C C -1.858 -0.443 3.486 1.00 . A A . 10 GLU C 1 1 16 8507 1 1 10 GLU CA C -2.579 -1.176 2.381 1.00 . A A . 10 GLU CA 1 1 16 8508 1 1 10 GLU CB C -3.478 -2.241 3.046 1.00 . A A . 10 GLU CB 1 1 16 8509 1 1 10 GLU CD C -4.268 -3.391 0.950 1.00 . A A . 10 GLU CD 1 1 16 8510 1 1 10 GLU CG C -4.653 -2.751 2.234 1.00 . A A . 10 GLU CG 1 1 16 8511 1 1 10 GLU H H -1.088 -2.548 1.794 1.00 . A A . 10 GLU H 1 1 16 8512 1 1 10 GLU HA H -3.193 -0.485 1.823 1.00 . A A . 10 GLU HA 1 1 16 8513 1 1 10 GLU HB2 H -2.863 -3.093 3.291 1.00 . A A . 10 GLU HB2 1 1 16 8514 1 1 10 GLU HB3 H -3.857 -1.826 3.969 1.00 . A A . 10 GLU HB3 1 1 16 8515 1 1 10 GLU HG2 H -5.193 -3.478 2.820 1.00 . A A . 10 GLU HG2 1 1 16 8516 1 1 10 GLU HG3 H -5.305 -1.916 2.024 1.00 . A A . 10 GLU HG3 1 1 16 8517 1 1 10 GLU N N -1.589 -1.763 1.475 1.00 . A A . 10 GLU N 1 1 16 8518 1 1 10 GLU O O -2.284 0.621 3.937 1.00 . A A . 10 GLU O 1 1 16 8519 1 1 10 GLU OE1 O -4.529 -2.795 -0.101 1.00 . A A . 10 GLU OE1 1 1 16 8520 1 1 10 GLU OE2 O -3.701 -4.499 0.968 1.00 . A A . 10 GLU OE2 1 1 16 8521 1 1 11 LYS C C 1.436 -0.631 4.656 1.00 . A A . 11 LYS C 1 1 16 8522 1 1 11 LYS CA C -0.020 -0.525 5.011 1.00 . A A . 11 LYS CA 1 1 16 8523 1 1 11 LYS CB C -0.344 -1.347 6.255 1.00 . A A . 11 LYS CB 1 1 16 8524 1 1 11 LYS CD C -0.694 -3.702 7.070 1.00 . A A . 11 LYS CD 1 1 16 8525 1 1 11 LYS CE C -2.059 -3.964 6.448 1.00 . A A . 11 LYS CE 1 1 16 8526 1 1 11 LYS CG C 0.127 -2.789 6.197 1.00 . A A . 11 LYS CG 1 1 16 8527 1 1 11 LYS H H -0.422 -1.846 3.493 1.00 . A A . 11 LYS H 1 1 16 8528 1 1 11 LYS HA H -0.291 0.502 5.191 1.00 . A A . 11 LYS HA 1 1 16 8529 1 1 11 LYS HB2 H 0.117 -0.872 7.105 1.00 . A A . 11 LYS HB2 1 1 16 8530 1 1 11 LYS HB3 H -1.408 -1.322 6.407 1.00 . A A . 11 LYS HB3 1 1 16 8531 1 1 11 LYS HD2 H -0.167 -4.638 7.184 1.00 . A A . 11 LYS HD2 1 1 16 8532 1 1 11 LYS HD3 H -0.823 -3.238 8.036 1.00 . A A . 11 LYS HD3 1 1 16 8533 1 1 11 LYS HE2 H -2.633 -4.588 7.116 1.00 . A A . 11 LYS HE2 1 1 16 8534 1 1 11 LYS HE3 H -2.573 -3.025 6.306 1.00 . A A . 11 LYS HE3 1 1 16 8535 1 1 11 LYS HG2 H 0.075 -3.138 5.177 1.00 . A A . 11 LYS HG2 1 1 16 8536 1 1 11 LYS HG3 H 1.151 -2.815 6.531 1.00 . A A . 11 LYS HG3 1 1 16 8537 1 1 11 LYS HZ1 H -2.870 -4.770 4.692 1.00 . A A . 11 LYS HZ1 1 1 16 8538 1 1 11 LYS HZ2 H -1.558 -5.609 5.268 1.00 . A A . 11 LYS HZ2 1 1 16 8539 1 1 11 LYS HZ3 H -1.313 -4.161 4.453 1.00 . A A . 11 LYS HZ3 1 1 16 8540 1 1 11 LYS N N -0.772 -1.029 3.925 1.00 . A A . 11 LYS N 1 1 16 8541 1 1 11 LYS NZ N -1.937 -4.651 5.134 1.00 . A A . 11 LYS NZ 1 1 16 8542 1 1 11 LYS O O 1.783 -1.209 3.623 1.00 . A A . 11 LYS O 1 1 16 8543 1 1 12 ASP C C 4.326 -1.526 5.305 1.00 . A A . 12 ASP C 1 1 16 8544 1 1 12 ASP CA C 3.734 -0.143 5.208 1.00 . A A . 12 ASP CA 1 1 16 8545 1 1 12 ASP CB C 4.519 0.817 6.104 1.00 . A A . 12 ASP CB 1 1 16 8546 1 1 12 ASP CG C 4.116 2.251 5.947 1.00 . A A . 12 ASP CG 1 1 16 8547 1 1 12 ASP H H 1.919 0.151 6.372 1.00 . A A . 12 ASP H 1 1 16 8548 1 1 12 ASP HA H 3.828 0.180 4.182 1.00 . A A . 12 ASP HA 1 1 16 8549 1 1 12 ASP HB2 H 4.356 0.550 7.135 1.00 . A A . 12 ASP HB2 1 1 16 8550 1 1 12 ASP HB3 H 5.570 0.729 5.876 1.00 . A A . 12 ASP HB3 1 1 16 8551 1 1 12 ASP N N 2.287 -0.162 5.515 1.00 . A A . 12 ASP N 1 1 16 8552 1 1 12 ASP O O 5.377 -1.808 4.738 1.00 . A A . 12 ASP O 1 1 16 8553 1 1 12 ASP OD1 O 4.417 2.864 4.904 1.00 . A A . 12 ASP OD1 1 1 16 8554 1 1 12 ASP OD2 O 3.485 2.813 6.876 1.00 . A A . 12 ASP OD2 1 1 16 8555 1 1 13 GLU C C 3.922 -4.584 4.947 1.00 . A A . 13 GLU C 1 1 16 8556 1 1 13 GLU CA C 4.032 -3.780 6.203 1.00 . A A . 13 GLU CA 1 1 16 8557 1 1 13 GLU CB C 3.148 -4.428 7.223 1.00 . A A . 13 GLU CB 1 1 16 8558 1 1 13 GLU CD C 4.483 -3.606 9.208 1.00 . A A . 13 GLU CD 1 1 16 8559 1 1 13 GLU CG C 3.118 -3.698 8.558 1.00 . A A . 13 GLU CG 1 1 16 8560 1 1 13 GLU H H 2.759 -2.072 6.336 1.00 . A A . 13 GLU H 1 1 16 8561 1 1 13 GLU HA H 5.047 -3.790 6.568 1.00 . A A . 13 GLU HA 1 1 16 8562 1 1 13 GLU HB2 H 2.172 -4.481 6.758 1.00 . A A . 13 GLU HB2 1 1 16 8563 1 1 13 GLU HB3 H 3.494 -5.441 7.362 1.00 . A A . 13 GLU HB3 1 1 16 8564 1 1 13 GLU HG2 H 2.740 -2.699 8.404 1.00 . A A . 13 GLU HG2 1 1 16 8565 1 1 13 GLU HG3 H 2.456 -4.237 9.218 1.00 . A A . 13 GLU HG3 1 1 16 8566 1 1 13 GLU N N 3.609 -2.397 5.977 1.00 . A A . 13 GLU N 1 1 16 8567 1 1 13 GLU O O 4.541 -5.640 4.808 1.00 . A A . 13 GLU O 1 1 16 8568 1 1 13 GLU OE1 O 4.853 -4.529 9.971 1.00 . A A . 13 GLU OE1 1 1 16 8569 1 1 13 GLU OE2 O 5.216 -2.620 8.965 1.00 . A A . 13 GLU OE2 1 1 16 8570 1 1 14 ASP C C 4.169 -4.598 1.954 1.00 . A A . 14 ASP C 1 1 16 8571 1 1 14 ASP CA C 2.926 -4.802 2.797 1.00 . A A . 14 ASP CA 1 1 16 8572 1 1 14 ASP CB C 1.683 -4.329 2.037 1.00 . A A . 14 ASP CB 1 1 16 8573 1 1 14 ASP CG C 0.361 -4.549 2.753 1.00 . A A . 14 ASP CG 1 1 16 8574 1 1 14 ASP H H 2.620 -3.275 4.202 1.00 . A A . 14 ASP H 1 1 16 8575 1 1 14 ASP HA H 2.832 -5.854 3.022 1.00 . A A . 14 ASP HA 1 1 16 8576 1 1 14 ASP HB2 H 1.768 -3.288 1.763 1.00 . A A . 14 ASP HB2 1 1 16 8577 1 1 14 ASP HB3 H 1.676 -4.942 1.156 1.00 . A A . 14 ASP HB3 1 1 16 8578 1 1 14 ASP N N 3.102 -4.113 4.039 1.00 . A A . 14 ASP N 1 1 16 8579 1 1 14 ASP O O 4.550 -5.451 1.169 1.00 . A A . 14 ASP O 1 1 16 8580 1 1 14 ASP OD1 O -0.233 -3.580 3.258 1.00 . A A . 14 ASP OD1 1 1 16 8581 1 1 14 ASP OD2 O -0.125 -5.694 2.809 1.00 . A A . 14 ASP OD2 1 1 16 8582 1 1 15 CYS C C 7.242 -3.600 2.258 1.00 . A A . 15 CYS C 1 1 16 8583 1 1 15 CYS CA C 6.028 -3.115 1.493 1.00 . A A . 15 CYS CA 1 1 16 8584 1 1 15 CYS CB C 6.093 -1.605 1.405 1.00 . A A . 15 CYS CB 1 1 16 8585 1 1 15 CYS H H 4.505 -2.890 2.891 1.00 . A A . 15 CYS H 1 1 16 8586 1 1 15 CYS HA H 6.016 -3.523 0.493 1.00 . A A . 15 CYS HA 1 1 16 8587 1 1 15 CYS HB2 H 6.290 -1.199 2.385 1.00 . A A . 15 CYS HB2 1 1 16 8588 1 1 15 CYS HB3 H 6.902 -1.329 0.743 1.00 . A A . 15 CYS HB3 1 1 16 8589 1 1 15 CYS N N 4.827 -3.491 2.191 1.00 . A A . 15 CYS N 1 1 16 8590 1 1 15 CYS O O 7.140 -3.999 3.428 1.00 . A A . 15 CYS O 1 1 16 8591 1 1 15 CYS SG S 4.578 -0.860 0.764 1.00 . A A . 15 CYS SG 1 1 16 8592 1 1 16 CYS C C 10.071 -2.839 3.185 1.00 . A A . 16 CYS C 1 1 16 8593 1 1 16 CYS CA C 9.621 -3.949 2.220 1.00 . A A . 16 CYS CA 1 1 16 8594 1 1 16 CYS CB C 10.646 -4.230 1.148 1.00 . A A . 16 CYS CB 1 1 16 8595 1 1 16 CYS H H 8.379 -3.448 0.634 1.00 . A A . 16 CYS H 1 1 16 8596 1 1 16 CYS HA H 9.460 -4.850 2.794 1.00 . A A . 16 CYS HA 1 1 16 8597 1 1 16 CYS HB2 H 10.875 -3.319 0.624 1.00 . A A . 16 CYS HB2 1 1 16 8598 1 1 16 CYS HB3 H 11.565 -4.551 1.597 1.00 . A A . 16 CYS HB3 1 1 16 8599 1 1 16 CYS N N 8.371 -3.613 1.599 1.00 . A A . 16 CYS N 1 1 16 8600 1 1 16 CYS O O 9.432 -1.772 3.281 1.00 . A A . 16 CYS O 1 1 16 8601 1 1 16 CYS SG S 10.132 -5.548 -0.002 1.00 . A A . 16 CYS SG 1 1 16 8602 1 1 17 LYS C C 12.040 -0.858 4.490 1.00 . A A . 17 LYS C 1 1 16 8603 1 1 17 LYS CA C 11.602 -2.207 4.967 1.00 . A A . 17 LYS CA 1 1 16 8604 1 1 17 LYS CB C 12.728 -2.865 5.721 1.00 . A A . 17 LYS CB 1 1 16 8605 1 1 17 LYS CD C 11.184 -4.265 7.117 1.00 . A A . 17 LYS CD 1 1 16 8606 1 1 17 LYS CE C 10.788 -5.680 7.517 1.00 . A A . 17 LYS CE 1 1 16 8607 1 1 17 LYS CG C 12.400 -4.251 6.204 1.00 . A A . 17 LYS CG 1 1 16 8608 1 1 17 LYS H H 11.714 -3.833 3.582 1.00 . A A . 17 LYS H 1 1 16 8609 1 1 17 LYS HA H 10.772 -2.076 5.642 1.00 . A A . 17 LYS HA 1 1 16 8610 1 1 17 LYS HB2 H 13.592 -2.923 5.075 1.00 . A A . 17 LYS HB2 1 1 16 8611 1 1 17 LYS HB3 H 12.970 -2.255 6.577 1.00 . A A . 17 LYS HB3 1 1 16 8612 1 1 17 LYS HD2 H 11.410 -3.701 8.009 1.00 . A A . 17 LYS HD2 1 1 16 8613 1 1 17 LYS HD3 H 10.353 -3.806 6.605 1.00 . A A . 17 LYS HD3 1 1 16 8614 1 1 17 LYS HE2 H 10.703 -6.288 6.628 1.00 . A A . 17 LYS HE2 1 1 16 8615 1 1 17 LYS HE3 H 11.554 -6.089 8.160 1.00 . A A . 17 LYS HE3 1 1 16 8616 1 1 17 LYS HG2 H 12.204 -4.871 5.343 1.00 . A A . 17 LYS HG2 1 1 16 8617 1 1 17 LYS HG3 H 13.281 -4.592 6.715 1.00 . A A . 17 LYS HG3 1 1 16 8618 1 1 17 LYS HZ1 H 9.196 -6.654 8.485 1.00 . A A . 17 LYS HZ1 1 1 16 8619 1 1 17 LYS HZ2 H 8.762 -5.276 7.626 1.00 . A A . 17 LYS HZ2 1 1 16 8620 1 1 17 LYS HZ3 H 9.546 -5.117 9.105 1.00 . A A . 17 LYS HZ3 1 1 16 8621 1 1 17 LYS N N 11.162 -3.068 3.861 1.00 . A A . 17 LYS N 1 1 16 8622 1 1 17 LYS NZ N 9.495 -5.690 8.240 1.00 . A A . 17 LYS NZ 1 1 16 8623 1 1 17 LYS O O 11.602 0.175 4.992 1.00 . A A . 17 LYS O 1 1 16 8624 1 1 18 HIS C C 12.399 1.018 1.965 1.00 . A A . 18 HIS C 1 1 16 8625 1 1 18 HIS CA C 13.410 0.346 2.906 1.00 . A A . 18 HIS CA 1 1 16 8626 1 1 18 HIS CB C 14.734 0.071 2.169 1.00 . A A . 18 HIS CB 1 1 16 8627 1 1 18 HIS CD2 C 16.589 0.341 3.954 1.00 . A A . 18 HIS CD2 1 1 16 8628 1 1 18 HIS CE1 C 17.322 -1.695 4.017 1.00 . A A . 18 HIS CE1 1 1 16 8629 1 1 18 HIS CG C 15.851 -0.370 3.070 1.00 . A A . 18 HIS CG 1 1 16 8630 1 1 18 HIS H H 13.163 -1.775 3.226 1.00 . A A . 18 HIS H 1 1 16 8631 1 1 18 HIS HA H 13.610 1.027 3.719 1.00 . A A . 18 HIS HA 1 1 16 8632 1 1 18 HIS HB2 H 14.579 -0.696 1.425 1.00 . A A . 18 HIS HB2 1 1 16 8633 1 1 18 HIS HB3 H 15.049 0.976 1.670 1.00 . A A . 18 HIS HB3 1 1 16 8634 1 1 18 HIS HD1 H 16.011 -2.426 2.606 1.00 . A A . 18 HIS HD1 1 1 16 8635 1 1 18 HIS HD2 H 16.482 1.394 4.168 1.00 . A A . 18 HIS HD2 1 1 16 8636 1 1 18 HIS HE1 H 17.887 -2.582 4.266 1.00 . A A . 18 HIS HE1 1 1 16 8637 1 1 18 HIS N N 12.879 -0.877 3.514 1.00 . A A . 18 HIS N 1 1 16 8638 1 1 18 HIS ND1 N 16.334 -1.657 3.127 1.00 . A A . 18 HIS ND1 1 1 16 8639 1 1 18 HIS NE2 N 17.521 -0.504 4.554 1.00 . A A . 18 HIS NE2 1 1 16 8640 1 1 18 HIS O O 12.756 1.900 1.200 1.00 . A A . 18 HIS O 1 1 16 8641 1 1 19 LEU C C 9.010 1.782 2.160 1.00 . A A . 19 LEU C 1 1 16 8642 1 1 19 LEU CA C 10.084 1.184 1.251 1.00 . A A . 19 LEU CA 1 1 16 8643 1 1 19 LEU CB C 9.489 0.088 0.352 1.00 . A A . 19 LEU CB 1 1 16 8644 1 1 19 LEU CD1 C 9.840 -1.716 -1.327 1.00 . A A . 19 LEU CD1 1 1 16 8645 1 1 19 LEU CD2 C 10.875 0.419 -1.705 1.00 . A A . 19 LEU CD2 1 1 16 8646 1 1 19 LEU CG C 10.461 -0.556 -0.648 1.00 . A A . 19 LEU CG 1 1 16 8647 1 1 19 LEU H H 10.901 -0.040 2.742 1.00 . A A . 19 LEU H 1 1 16 8648 1 1 19 LEU HA H 10.491 1.974 0.636 1.00 . A A . 19 LEU HA 1 1 16 8649 1 1 19 LEU HB2 H 9.075 -0.682 0.983 1.00 . A A . 19 LEU HB2 1 1 16 8650 1 1 19 LEU HB3 H 8.677 0.527 -0.209 1.00 . A A . 19 LEU HB3 1 1 16 8651 1 1 19 LEU HD11 H 8.977 -1.379 -1.880 1.00 . A A . 19 LEU HD11 1 1 16 8652 1 1 19 LEU HD12 H 9.555 -2.469 -0.608 1.00 . A A . 19 LEU HD12 1 1 16 8653 1 1 19 LEU HD13 H 10.574 -2.099 -2.021 1.00 . A A . 19 LEU HD13 1 1 16 8654 1 1 19 LEU HD21 H 11.508 -0.101 -2.410 1.00 . A A . 19 LEU HD21 1 1 16 8655 1 1 19 LEU HD22 H 11.434 1.223 -1.251 1.00 . A A . 19 LEU HD22 1 1 16 8656 1 1 19 LEU HD23 H 10.006 0.804 -2.216 1.00 . A A . 19 LEU HD23 1 1 16 8657 1 1 19 LEU HG H 11.353 -0.885 -0.135 1.00 . A A . 19 LEU HG 1 1 16 8658 1 1 19 LEU N N 11.142 0.630 2.066 1.00 . A A . 19 LEU N 1 1 16 8659 1 1 19 LEU O O 9.109 1.680 3.384 1.00 . A A . 19 LEU O 1 1 16 8660 1 1 20 GLY C C 5.690 3.009 1.510 1.00 . A A . 20 GLY C 1 1 16 8661 1 1 20 GLY CA C 6.946 3.009 2.328 1.00 . A A . 20 GLY CA 1 1 16 8662 1 1 20 GLY H H 8.039 2.508 0.596 1.00 . A A . 20 GLY H 1 1 16 8663 1 1 20 GLY HA2 H 6.786 2.424 3.221 1.00 . A A . 20 GLY HA2 1 1 16 8664 1 1 20 GLY HA3 H 7.193 4.026 2.596 1.00 . A A . 20 GLY HA3 1 1 16 8665 1 1 20 GLY N N 8.031 2.421 1.577 1.00 . A A . 20 GLY N 1 1 16 8666 1 1 20 GLY O O 5.751 3.207 0.300 1.00 . A A . 20 GLY O 1 1 16 8667 1 1 21 CYS C C 2.592 3.993 1.160 1.00 . A A . 21 CYS C 1 1 16 8668 1 1 21 CYS CA C 3.324 2.665 1.386 1.00 . A A . 21 CYS CA 1 1 16 8669 1 1 21 CYS CB C 2.398 1.654 2.080 1.00 . A A . 21 CYS CB 1 1 16 8670 1 1 21 CYS H H 4.544 2.751 3.121 1.00 . A A . 21 CYS H 1 1 16 8671 1 1 21 CYS HA H 3.579 2.260 0.419 1.00 . A A . 21 CYS HA 1 1 16 8672 1 1 21 CYS HB2 H 2.865 0.680 2.059 1.00 . A A . 21 CYS HB2 1 1 16 8673 1 1 21 CYS HB3 H 2.266 1.955 3.109 1.00 . A A . 21 CYS HB3 1 1 16 8674 1 1 21 CYS N N 4.566 2.805 2.131 1.00 . A A . 21 CYS N 1 1 16 8675 1 1 21 CYS O O 2.295 4.738 2.098 1.00 . A A . 21 CYS O 1 1 16 8676 1 1 21 CYS SG S 0.737 1.473 1.333 1.00 . A A . 21 CYS SG 1 1 16 8677 1 1 22 LYS C C 0.068 4.914 -0.516 1.00 . A A . 22 LYS C 1 1 16 8678 1 1 22 LYS CA C 1.467 5.404 -0.390 1.00 . A A . 22 LYS CA 1 1 16 8679 1 1 22 LYS CB C 1.875 6.167 -1.634 1.00 . A A . 22 LYS CB 1 1 16 8680 1 1 22 LYS CD C 2.069 8.400 -0.544 1.00 . A A . 22 LYS CD 1 1 16 8681 1 1 22 LYS CE C 2.895 9.669 -0.482 1.00 . A A . 22 LYS CE 1 1 16 8682 1 1 22 LYS CG C 2.791 7.328 -1.366 1.00 . A A . 22 LYS CG 1 1 16 8683 1 1 22 LYS H H 2.752 3.801 -0.808 1.00 . A A . 22 LYS H 1 1 16 8684 1 1 22 LYS HA H 1.501 6.072 0.457 1.00 . A A . 22 LYS HA 1 1 16 8685 1 1 22 LYS HB2 H 2.379 5.487 -2.306 1.00 . A A . 22 LYS HB2 1 1 16 8686 1 1 22 LYS HB3 H 0.985 6.540 -2.118 1.00 . A A . 22 LYS HB3 1 1 16 8687 1 1 22 LYS HD2 H 1.108 8.603 -0.991 1.00 . A A . 22 LYS HD2 1 1 16 8688 1 1 22 LYS HD3 H 1.905 8.028 0.458 1.00 . A A . 22 LYS HD3 1 1 16 8689 1 1 22 LYS HE2 H 3.820 9.447 0.030 1.00 . A A . 22 LYS HE2 1 1 16 8690 1 1 22 LYS HE3 H 3.118 9.978 -1.491 1.00 . A A . 22 LYS HE3 1 1 16 8691 1 1 22 LYS HG2 H 3.628 6.961 -0.794 1.00 . A A . 22 LYS HG2 1 1 16 8692 1 1 22 LYS HG3 H 3.124 7.754 -2.301 1.00 . A A . 22 LYS HG3 1 1 16 8693 1 1 22 LYS HZ1 H 2.087 10.582 1.247 1.00 . A A . 22 LYS HZ1 1 1 16 8694 1 1 22 LYS HZ2 H 1.288 10.971 -0.181 1.00 . A A . 22 LYS HZ2 1 1 16 8695 1 1 22 LYS HZ3 H 2.765 11.657 0.136 1.00 . A A . 22 LYS HZ3 1 1 16 8696 1 1 22 LYS N N 2.344 4.315 -0.076 1.00 . A A . 22 LYS N 1 1 16 8697 1 1 22 LYS NZ N 2.222 10.774 0.234 1.00 . A A . 22 LYS NZ 1 1 16 8698 1 1 22 LYS O O -0.283 4.249 -1.486 1.00 . A A . 22 LYS O 1 1 16 8699 1 1 23 ARG C C -2.971 5.590 -0.535 1.00 . A A . 23 ARG C 1 1 16 8700 1 1 23 ARG CA C -2.129 4.859 0.487 1.00 . A A . 23 ARG CA 1 1 16 8701 1 1 23 ARG CB C -2.741 5.056 1.877 1.00 . A A . 23 ARG CB 1 1 16 8702 1 1 23 ARG CD C -0.807 4.645 3.511 1.00 . A A . 23 ARG CD 1 1 16 8703 1 1 23 ARG CG C -2.176 4.203 3.007 1.00 . A A . 23 ARG CG 1 1 16 8704 1 1 23 ARG CZ C 0.764 3.632 5.208 1.00 . A A . 23 ARG CZ 1 1 16 8705 1 1 23 ARG H H -0.428 5.935 1.104 1.00 . A A . 23 ARG H 1 1 16 8706 1 1 23 ARG HA H -2.142 3.811 0.243 1.00 . A A . 23 ARG HA 1 1 16 8707 1 1 23 ARG HB2 H -2.610 6.089 2.161 1.00 . A A . 23 ARG HB2 1 1 16 8708 1 1 23 ARG HB3 H -3.799 4.858 1.800 1.00 . A A . 23 ARG HB3 1 1 16 8709 1 1 23 ARG HD2 H -0.069 4.507 2.734 1.00 . A A . 23 ARG HD2 1 1 16 8710 1 1 23 ARG HD3 H -0.859 5.695 3.760 1.00 . A A . 23 ARG HD3 1 1 16 8711 1 1 23 ARG HE H -1.251 3.573 5.222 1.00 . A A . 23 ARG HE 1 1 16 8712 1 1 23 ARG HG2 H -2.859 4.224 3.841 1.00 . A A . 23 ARG HG2 1 1 16 8713 1 1 23 ARG HG3 H -2.090 3.196 2.631 1.00 . A A . 23 ARG HG3 1 1 16 8714 1 1 23 ARG HH11 H 1.825 4.477 3.675 1.00 . A A . 23 ARG HH11 1 1 16 8715 1 1 23 ARG HH12 H 2.772 3.776 4.907 1.00 . A A . 23 ARG HH12 1 1 16 8716 1 1 23 ARG HH21 H 0.106 2.663 6.876 1.00 . A A . 23 ARG HH21 1 1 16 8717 1 1 23 ARG HH22 H 1.813 2.804 6.723 1.00 . A A . 23 ARG HH22 1 1 16 8718 1 1 23 ARG N N -0.748 5.299 0.426 1.00 . A A . 23 ARG N 1 1 16 8719 1 1 23 ARG NE N -0.458 3.887 4.728 1.00 . A A . 23 ARG NE 1 1 16 8720 1 1 23 ARG NH1 N 1.849 3.994 4.558 1.00 . A A . 23 ARG NH1 1 1 16 8721 1 1 23 ARG NH2 N 0.894 2.985 6.344 1.00 . A A . 23 ARG NH2 1 1 16 8722 1 1 23 ARG O O -4.095 5.190 -0.838 1.00 . A A . 23 ARG O 1 1 16 8723 1 1 24 LYS C C -2.876 6.843 -3.414 1.00 . A A . 24 LYS C 1 1 16 8724 1 1 24 LYS CA C -3.106 7.434 -2.051 1.00 . A A . 24 LYS CA 1 1 16 8725 1 1 24 LYS CB C -2.579 8.877 -2.019 1.00 . A A . 24 LYS CB 1 1 16 8726 1 1 24 LYS CD C -2.670 11.183 -3.018 1.00 . A A . 24 LYS CD 1 1 16 8727 1 1 24 LYS CE C -3.359 12.055 -4.044 1.00 . A A . 24 LYS CE 1 1 16 8728 1 1 24 LYS CG C -3.273 9.801 -3.006 1.00 . A A . 24 LYS CG 1 1 16 8729 1 1 24 LYS H H -1.485 6.831 -0.837 1.00 . A A . 24 LYS H 1 1 16 8730 1 1 24 LYS HA H -4.160 7.433 -1.820 1.00 . A A . 24 LYS HA 1 1 16 8731 1 1 24 LYS HB2 H -2.710 9.278 -1.025 1.00 . A A . 24 LYS HB2 1 1 16 8732 1 1 24 LYS HB3 H -1.524 8.863 -2.252 1.00 . A A . 24 LYS HB3 1 1 16 8733 1 1 24 LYS HD2 H -2.785 11.629 -2.042 1.00 . A A . 24 LYS HD2 1 1 16 8734 1 1 24 LYS HD3 H -1.621 11.110 -3.267 1.00 . A A . 24 LYS HD3 1 1 16 8735 1 1 24 LYS HE2 H -3.286 11.574 -5.009 1.00 . A A . 24 LYS HE2 1 1 16 8736 1 1 24 LYS HE3 H -4.400 12.156 -3.773 1.00 . A A . 24 LYS HE3 1 1 16 8737 1 1 24 LYS HG2 H -3.182 9.377 -3.994 1.00 . A A . 24 LYS HG2 1 1 16 8738 1 1 24 LYS HG3 H -4.316 9.871 -2.740 1.00 . A A . 24 LYS HG3 1 1 16 8739 1 1 24 LYS HZ1 H -3.234 13.964 -4.853 1.00 . A A . 24 LYS HZ1 1 1 16 8740 1 1 24 LYS HZ2 H -1.755 13.318 -4.424 1.00 . A A . 24 LYS HZ2 1 1 16 8741 1 1 24 LYS HZ3 H -2.777 13.900 -3.230 1.00 . A A . 24 LYS HZ3 1 1 16 8742 1 1 24 LYS N N -2.412 6.628 -1.085 1.00 . A A . 24 LYS N 1 1 16 8743 1 1 24 LYS NZ N -2.751 13.392 -4.135 1.00 . A A . 24 LYS NZ 1 1 16 8744 1 1 24 LYS O O -3.694 6.961 -4.317 1.00 . A A . 24 LYS O 1 1 16 8745 1 1 25 MET C C -1.515 4.147 -4.857 1.00 . A A . 25 MET C 1 1 16 8746 1 1 25 MET CA C -1.349 5.657 -4.799 1.00 . A A . 25 MET CA 1 1 16 8747 1 1 25 MET CB C 0.103 6.045 -5.033 1.00 . A A . 25 MET CB 1 1 16 8748 1 1 25 MET CE C 0.139 7.871 -7.718 1.00 . A A . 25 MET CE 1 1 16 8749 1 1 25 MET CG C 0.390 7.545 -4.964 1.00 . A A . 25 MET CG 1 1 16 8750 1 1 25 MET H H -1.244 5.978 -2.730 1.00 . A A . 25 MET H 1 1 16 8751 1 1 25 MET HA H -1.955 6.117 -5.564 1.00 . A A . 25 MET HA 1 1 16 8752 1 1 25 MET HB2 H 0.747 5.528 -4.339 1.00 . A A . 25 MET HB2 1 1 16 8753 1 1 25 MET HB3 H 0.361 5.707 -6.019 1.00 . A A . 25 MET HB3 1 1 16 8754 1 1 25 MET HE1 H -0.086 6.818 -7.794 1.00 . A A . 25 MET HE1 1 1 16 8755 1 1 25 MET HE2 H 1.209 8.012 -7.736 1.00 . A A . 25 MET HE2 1 1 16 8756 1 1 25 MET HE3 H -0.310 8.395 -8.549 1.00 . A A . 25 MET HE3 1 1 16 8757 1 1 25 MET HG2 H 0.112 7.893 -3.980 1.00 . A A . 25 MET HG2 1 1 16 8758 1 1 25 MET HG3 H 1.448 7.702 -5.110 1.00 . A A . 25 MET HG3 1 1 16 8759 1 1 25 MET N N -1.774 6.163 -3.533 1.00 . A A . 25 MET N 1 1 16 8760 1 1 25 MET O O -1.477 3.544 -5.933 1.00 . A A . 25 MET O 1 1 16 8761 1 1 25 MET SD S -0.523 8.520 -6.183 1.00 . A A . 25 MET SD 1 1 16 8762 1 1 26 LYS C C -0.651 1.330 -3.875 1.00 . A A . 26 LYS C 1 1 16 8763 1 1 26 LYS CA C -1.866 2.109 -3.498 1.00 . A A . 26 LYS CA 1 1 16 8764 1 1 26 LYS CB C -3.131 1.594 -4.186 1.00 . A A . 26 LYS CB 1 1 16 8765 1 1 26 LYS CD C -4.497 1.782 -2.108 1.00 . A A . 26 LYS CD 1 1 16 8766 1 1 26 LYS CE C -4.715 0.278 -1.937 1.00 . A A . 26 LYS CE 1 1 16 8767 1 1 26 LYS CG C -4.402 2.162 -3.579 1.00 . A A . 26 LYS CG 1 1 16 8768 1 1 26 LYS H H -1.665 4.101 -2.870 1.00 . A A . 26 LYS H 1 1 16 8769 1 1 26 LYS HA H -1.954 1.940 -2.439 1.00 . A A . 26 LYS HA 1 1 16 8770 1 1 26 LYS HB2 H -3.075 1.849 -5.232 1.00 . A A . 26 LYS HB2 1 1 16 8771 1 1 26 LYS HB3 H -3.157 0.518 -4.105 1.00 . A A . 26 LYS HB3 1 1 16 8772 1 1 26 LYS HD2 H -3.558 2.068 -1.649 1.00 . A A . 26 LYS HD2 1 1 16 8773 1 1 26 LYS HD3 H -5.305 2.329 -1.645 1.00 . A A . 26 LYS HD3 1 1 16 8774 1 1 26 LYS HE2 H -5.678 0.016 -2.348 1.00 . A A . 26 LYS HE2 1 1 16 8775 1 1 26 LYS HE3 H -3.944 -0.256 -2.472 1.00 . A A . 26 LYS HE3 1 1 16 8776 1 1 26 LYS HG2 H -4.383 3.239 -3.670 1.00 . A A . 26 LYS HG2 1 1 16 8777 1 1 26 LYS HG3 H -5.256 1.763 -4.104 1.00 . A A . 26 LYS HG3 1 1 16 8778 1 1 26 LYS HZ1 H -3.747 0.069 -0.123 1.00 . A A . 26 LYS HZ1 1 1 16 8779 1 1 26 LYS HZ2 H -4.809 -1.174 -0.455 1.00 . A A . 26 LYS HZ2 1 1 16 8780 1 1 26 LYS HZ3 H -5.414 0.335 0.038 1.00 . A A . 26 LYS HZ3 1 1 16 8781 1 1 26 LYS N N -1.681 3.550 -3.680 1.00 . A A . 26 LYS N 1 1 16 8782 1 1 26 LYS NZ N -4.683 -0.138 -0.529 1.00 . A A . 26 LYS NZ 1 1 16 8783 1 1 26 LYS O O -0.736 0.164 -4.260 1.00 . A A . 26 LYS O 1 1 16 8784 1 1 27 TYR C C 2.842 1.693 -3.062 1.00 . A A . 27 TYR C 1 1 16 8785 1 1 27 TYR CA C 1.721 1.273 -3.964 1.00 . A A . 27 TYR CA 1 1 16 8786 1 1 27 TYR CB C 2.157 1.381 -5.451 1.00 . A A . 27 TYR CB 1 1 16 8787 1 1 27 TYR CD1 C 1.790 3.515 -6.768 1.00 . A A . 27 TYR CD1 1 1 16 8788 1 1 27 TYR CD2 C 3.850 3.269 -5.617 1.00 . A A . 27 TYR CD2 1 1 16 8789 1 1 27 TYR CE1 C 2.211 4.749 -7.231 1.00 . A A . 27 TYR CE1 1 1 16 8790 1 1 27 TYR CE2 C 4.271 4.494 -6.069 1.00 . A A . 27 TYR CE2 1 1 16 8791 1 1 27 TYR CG C 2.600 2.754 -5.954 1.00 . A A . 27 TYR CG 1 1 16 8792 1 1 27 TYR CZ C 3.452 5.231 -6.876 1.00 . A A . 27 TYR CZ 1 1 16 8793 1 1 27 TYR H H 0.397 2.779 -3.166 1.00 . A A . 27 TYR H 1 1 16 8794 1 1 27 TYR HA H 1.548 0.228 -3.752 1.00 . A A . 27 TYR HA 1 1 16 8795 1 1 27 TYR HB2 H 2.996 0.714 -5.583 1.00 . A A . 27 TYR HB2 1 1 16 8796 1 1 27 TYR HB3 H 1.349 1.020 -6.065 1.00 . A A . 27 TYR HB3 1 1 16 8797 1 1 27 TYR HD1 H 0.816 3.138 -7.042 1.00 . A A . 27 TYR HD1 1 1 16 8798 1 1 27 TYR HD2 H 4.498 2.686 -4.980 1.00 . A A . 27 TYR HD2 1 1 16 8799 1 1 27 TYR HE1 H 1.560 5.334 -7.861 1.00 . A A . 27 TYR HE1 1 1 16 8800 1 1 27 TYR HE2 H 5.244 4.869 -5.788 1.00 . A A . 27 TYR HE2 1 1 16 8801 1 1 27 TYR HH H 4.823 6.411 -7.480 1.00 . A A . 27 TYR HH 1 1 16 8802 1 1 27 TYR N N 0.468 1.926 -3.648 1.00 . A A . 27 TYR N 1 1 16 8803 1 1 27 TYR O O 2.813 2.772 -2.435 1.00 . A A . 27 TYR O 1 1 16 8804 1 1 27 TYR OH O 3.868 6.464 -7.326 1.00 . A A . 27 TYR OH 1 1 16 8805 1 1 28 CYS C C 5.969 1.965 -2.977 1.00 . A A . 28 CYS C 1 1 16 8806 1 1 28 CYS CA C 4.997 1.059 -2.248 1.00 . A A . 28 CYS CA 1 1 16 8807 1 1 28 CYS CB C 5.653 -0.284 -1.972 1.00 . A A . 28 CYS CB 1 1 16 8808 1 1 28 CYS H H 3.716 0.033 -3.555 1.00 . A A . 28 CYS H 1 1 16 8809 1 1 28 CYS HA H 4.720 1.503 -1.305 1.00 . A A . 28 CYS HA 1 1 16 8810 1 1 28 CYS HB2 H 5.974 -0.719 -2.907 1.00 . A A . 28 CYS HB2 1 1 16 8811 1 1 28 CYS HB3 H 6.513 -0.134 -1.336 1.00 . A A . 28 CYS HB3 1 1 16 8812 1 1 28 CYS N N 3.823 0.858 -3.028 1.00 . A A . 28 CYS N 1 1 16 8813 1 1 28 CYS O O 6.253 1.771 -4.159 1.00 . A A . 28 CYS O 1 1 16 8814 1 1 28 CYS SG S 4.558 -1.475 -1.157 1.00 . A A . 28 CYS SG 1 1 16 8815 1 1 29 ALA C C 8.656 3.648 -1.882 1.00 . A A . 29 ALA C 1 1 16 8816 1 1 29 ALA CA C 7.438 3.860 -2.765 1.00 . A A . 29 ALA CA 1 1 16 8817 1 1 29 ALA CB C 6.919 5.285 -2.660 1.00 . A A . 29 ALA CB 1 1 16 8818 1 1 29 ALA H H 6.128 3.057 -1.356 1.00 . A A . 29 ALA H 1 1 16 8819 1 1 29 ALA HA H 7.667 3.619 -3.793 1.00 . A A . 29 ALA HA 1 1 16 8820 1 1 29 ALA HB1 H 6.682 5.509 -1.630 1.00 . A A . 29 ALA HB1 1 1 16 8821 1 1 29 ALA HB2 H 6.026 5.383 -3.260 1.00 . A A . 29 ALA HB2 1 1 16 8822 1 1 29 ALA HB3 H 7.669 5.972 -3.021 1.00 . A A . 29 ALA HB3 1 1 16 8823 1 1 29 ALA N N 6.442 2.946 -2.283 1.00 . A A . 29 ALA N 1 1 16 8824 1 1 29 ALA O O 8.631 2.740 -1.072 1.00 . A A . 29 ALA O 1 1 16 8825 1 1 30 TRP C C 10.592 4.795 0.282 1.00 . A A . 30 TRP C 1 1 16 8826 1 1 30 TRP CA C 10.868 4.282 -1.115 1.00 . A A . 30 TRP CA 1 1 16 8827 1 1 30 TRP CB C 12.135 4.902 -1.700 1.00 . A A . 30 TRP CB 1 1 16 8828 1 1 30 TRP CD1 C 12.590 4.482 -4.173 1.00 . A A . 30 TRP CD1 1 1 16 8829 1 1 30 TRP CD2 C 13.338 2.922 -2.796 1.00 . A A . 30 TRP CD2 1 1 16 8830 1 1 30 TRP CE2 C 13.651 2.527 -4.092 1.00 . A A . 30 TRP CE2 1 1 16 8831 1 1 30 TRP CE3 C 13.697 2.126 -1.746 1.00 . A A . 30 TRP CE3 1 1 16 8832 1 1 30 TRP CG C 12.663 4.153 -2.865 1.00 . A A . 30 TRP CG 1 1 16 8833 1 1 30 TRP CH2 C 14.668 0.560 -3.287 1.00 . A A . 30 TRP CH2 1 1 16 8834 1 1 30 TRP CZ2 C 14.319 1.338 -4.357 1.00 . A A . 30 TRP CZ2 1 1 16 8835 1 1 30 TRP CZ3 C 14.362 0.946 -1.986 1.00 . A A . 30 TRP CZ3 1 1 16 8836 1 1 30 TRP H H 9.686 5.204 -2.632 1.00 . A A . 30 TRP H 1 1 16 8837 1 1 30 TRP HA H 10.998 3.215 -1.039 1.00 . A A . 30 TRP HA 1 1 16 8838 1 1 30 TRP HB2 H 11.942 5.914 -2.012 1.00 . A A . 30 TRP HB2 1 1 16 8839 1 1 30 TRP HB3 H 12.893 4.902 -0.933 1.00 . A A . 30 TRP HB3 1 1 16 8840 1 1 30 TRP HD1 H 12.124 5.381 -4.546 1.00 . A A . 30 TRP HD1 1 1 16 8841 1 1 30 TRP HE1 H 13.254 3.505 -5.910 1.00 . A A . 30 TRP HE1 1 1 16 8842 1 1 30 TRP HE3 H 13.421 2.466 -0.761 1.00 . A A . 30 TRP HE3 1 1 16 8843 1 1 30 TRP HH2 H 15.191 -0.374 -3.434 1.00 . A A . 30 TRP HH2 1 1 16 8844 1 1 30 TRP HZ2 H 14.556 1.018 -5.359 1.00 . A A . 30 TRP HZ2 1 1 16 8845 1 1 30 TRP HZ3 H 14.650 0.310 -1.163 1.00 . A A . 30 TRP HZ3 1 1 16 8846 1 1 30 TRP N N 9.691 4.463 -1.989 1.00 . A A . 30 TRP N 1 1 16 8847 1 1 30 TRP NE1 N 13.182 3.499 -4.930 1.00 . A A . 30 TRP NE1 1 1 16 8848 1 1 30 TRP O O 11.243 4.425 1.262 1.00 . A A . 30 TRP O 1 1 16 8849 1 1 31 ASP C C 7.897 6.968 1.065 1.00 . A A . 31 ASP C 1 1 16 8850 1 1 31 ASP CA C 9.099 6.206 1.530 1.00 . A A . 31 ASP CA 1 1 16 8851 1 1 31 ASP CB C 10.127 7.181 2.165 1.00 . A A . 31 ASP CB 1 1 16 8852 1 1 31 ASP CG C 9.744 7.658 3.562 1.00 . A A . 31 ASP CG 1 1 16 8853 1 1 31 ASP H H 9.141 5.834 -0.487 1.00 . A A . 31 ASP H 1 1 16 8854 1 1 31 ASP HA H 8.813 5.436 2.231 1.00 . A A . 31 ASP HA 1 1 16 8855 1 1 31 ASP HB2 H 11.077 6.672 2.239 1.00 . A A . 31 ASP HB2 1 1 16 8856 1 1 31 ASP HB3 H 10.236 8.041 1.522 1.00 . A A . 31 ASP HB3 1 1 16 8857 1 1 31 ASP N N 9.603 5.608 0.344 1.00 . A A . 31 ASP N 1 1 16 8858 1 1 31 ASP O O 7.894 7.473 -0.066 1.00 . A A . 31 ASP O 1 1 16 8859 1 1 31 ASP OD1 O 10.638 8.013 4.350 1.00 . A A . 31 ASP OD1 1 1 16 8860 1 1 31 ASP OD2 O 8.546 7.666 3.909 1.00 . A A . 31 ASP OD2 1 1 16 8861 1 1 32 PHE C C 5.942 9.257 1.793 1.00 . A A . 32 PHE C 1 1 16 8862 1 1 32 PHE CA C 5.698 7.769 1.514 1.00 . A A . 32 PHE CA 1 1 16 8863 1 1 32 PHE CB C 4.449 7.256 2.275 1.00 . A A . 32 PHE CB 1 1 16 8864 1 1 32 PHE CD1 C 4.293 8.460 4.484 1.00 . A A . 32 PHE CD1 1 1 16 8865 1 1 32 PHE CD2 C 4.798 6.142 4.499 1.00 . A A . 32 PHE CD2 1 1 16 8866 1 1 32 PHE CE1 C 4.336 8.486 5.859 1.00 . A A . 32 PHE CE1 1 1 16 8867 1 1 32 PHE CE2 C 4.845 6.164 5.879 1.00 . A A . 32 PHE CE2 1 1 16 8868 1 1 32 PHE CG C 4.526 7.288 3.785 1.00 . A A . 32 PHE CG 1 1 16 8869 1 1 32 PHE CZ C 4.614 7.337 6.556 1.00 . A A . 32 PHE CZ 1 1 16 8870 1 1 32 PHE H H 6.972 6.563 2.724 1.00 . A A . 32 PHE H 1 1 16 8871 1 1 32 PHE HA H 5.545 7.620 0.453 1.00 . A A . 32 PHE HA 1 1 16 8872 1 1 32 PHE HB2 H 3.602 7.861 1.990 1.00 . A A . 32 PHE HB2 1 1 16 8873 1 1 32 PHE HB3 H 4.258 6.237 1.971 1.00 . A A . 32 PHE HB3 1 1 16 8874 1 1 32 PHE HD1 H 4.080 9.364 3.933 1.00 . A A . 32 PHE HD1 1 1 16 8875 1 1 32 PHE HD2 H 4.980 5.219 3.968 1.00 . A A . 32 PHE HD2 1 1 16 8876 1 1 32 PHE HE1 H 4.153 9.409 6.391 1.00 . A A . 32 PHE HE1 1 1 16 8877 1 1 32 PHE HE2 H 5.062 5.261 6.429 1.00 . A A . 32 PHE HE2 1 1 16 8878 1 1 32 PHE HZ H 4.649 7.354 7.635 1.00 . A A . 32 PHE HZ 1 1 16 8879 1 1 32 PHE N N 6.881 7.017 1.861 1.00 . A A . 32 PHE N 1 1 16 8880 1 1 32 PHE O O 5.174 10.119 1.393 1.00 . A A . 32 PHE O 1 1 16 8881 1 1 33 THR C C 8.199 11.490 1.701 1.00 . A A . 33 THR C 1 1 16 8882 1 1 33 THR CA C 7.378 10.861 2.841 1.00 . A A . 33 THR CA 1 1 16 8883 1 1 33 THR CB C 8.214 10.835 4.129 1.00 . A A . 33 THR CB 1 1 16 8884 1 1 33 THR CG2 C 8.222 12.198 4.799 1.00 . A A . 33 THR CG2 1 1 16 8885 1 1 33 THR H H 7.578 8.792 2.809 1.00 . A A . 33 THR H 1 1 16 8886 1 1 33 THR HA H 6.483 11.439 3.017 1.00 . A A . 33 THR HA 1 1 16 8887 1 1 33 THR HB H 9.225 10.544 3.883 1.00 . A A . 33 THR HB 1 1 16 8888 1 1 33 THR HG1 H 7.967 9.007 4.733 1.00 . A A . 33 THR HG1 1 1 16 8889 1 1 33 THR HG21 H 7.211 12.478 5.055 1.00 . A A . 33 THR HG21 1 1 16 8890 1 1 33 THR HG22 H 8.636 12.930 4.122 1.00 . A A . 33 THR HG22 1 1 16 8891 1 1 33 THR HG23 H 8.822 12.156 5.696 1.00 . A A . 33 THR HG23 1 1 16 8892 1 1 33 THR N N 7.010 9.529 2.491 1.00 . A A . 33 THR N 1 1 16 8893 1 1 33 THR O O 9.424 11.320 1.628 1.00 . A A . 33 THR O 1 1 16 8894 1 1 33 THR OG1 O 7.636 9.873 5.032 1.00 . A A . 33 THR OG1 1 1 16 8895 1 1 34 PHE C C 8.473 14.253 0.052 1.00 . A A . 34 PHE C 1 1 16 8896 1 1 34 PHE CA C 8.158 12.817 -0.325 1.00 . A A . 34 PHE CA 1 1 16 8897 1 1 34 PHE CB C 7.290 12.793 -1.590 1.00 . A A . 34 PHE CB 1 1 16 8898 1 1 34 PHE CD1 C 7.984 11.055 -3.260 1.00 . A A . 34 PHE CD1 1 1 16 8899 1 1 34 PHE CD2 C 6.148 10.566 -1.827 1.00 . A A . 34 PHE CD2 1 1 16 8900 1 1 34 PHE CE1 C 7.843 9.826 -3.868 1.00 . A A . 34 PHE CE1 1 1 16 8901 1 1 34 PHE CE2 C 6.004 9.332 -2.430 1.00 . A A . 34 PHE CE2 1 1 16 8902 1 1 34 PHE CG C 7.139 11.440 -2.233 1.00 . A A . 34 PHE CG 1 1 16 8903 1 1 34 PHE CZ C 6.851 8.962 -3.452 1.00 . A A . 34 PHE CZ 1 1 16 8904 1 1 34 PHE H H 6.534 12.137 0.848 1.00 . A A . 34 PHE H 1 1 16 8905 1 1 34 PHE HA H 9.086 12.303 -0.528 1.00 . A A . 34 PHE HA 1 1 16 8906 1 1 34 PHE HB2 H 6.300 13.143 -1.341 1.00 . A A . 34 PHE HB2 1 1 16 8907 1 1 34 PHE HB3 H 7.721 13.463 -2.319 1.00 . A A . 34 PHE HB3 1 1 16 8908 1 1 34 PHE HD1 H 8.762 11.728 -3.585 1.00 . A A . 34 PHE HD1 1 1 16 8909 1 1 34 PHE HD2 H 5.484 10.854 -1.025 1.00 . A A . 34 PHE HD2 1 1 16 8910 1 1 34 PHE HE1 H 8.509 9.539 -4.668 1.00 . A A . 34 PHE HE1 1 1 16 8911 1 1 34 PHE HE2 H 5.226 8.658 -2.102 1.00 . A A . 34 PHE HE2 1 1 16 8912 1 1 34 PHE HZ H 6.739 7.999 -3.928 1.00 . A A . 34 PHE HZ 1 1 16 8913 1 1 34 PHE N N 7.515 12.131 0.783 1.00 . A A . 34 PHE N 1 1 16 8914 1 1 34 PHE O O 9.427 14.845 -0.459 1.00 . A A . 34 PHE O 1 1 16 8915 1 1 35 THR C C 7.701 16.209 2.914 1.00 . A A . 35 THR C 1 1 16 8916 1 1 35 THR CA C 7.892 16.159 1.404 1.00 . A A . 35 THR CA 1 1 16 8917 1 1 35 THR CB C 6.930 17.174 0.708 1.00 . A A . 35 THR CB 1 1 16 8918 1 1 35 THR CG2 C 5.479 16.932 1.104 1.00 . A A . 35 THR CG2 1 1 16 8919 1 1 35 THR H H 6.929 14.297 1.306 1.00 . A A . 35 THR H 1 1 16 8920 1 1 35 THR HA H 8.913 16.426 1.173 1.00 . A A . 35 THR HA 1 1 16 8921 1 1 35 THR HB H 7.023 17.058 -0.361 1.00 . A A . 35 THR HB 1 1 16 8922 1 1 35 THR HG1 H 6.711 19.108 0.556 1.00 . A A . 35 THR HG1 1 1 16 8923 1 1 35 THR HG21 H 5.377 17.033 2.174 1.00 . A A . 35 THR HG21 1 1 16 8924 1 1 35 THR HG22 H 5.192 15.935 0.807 1.00 . A A . 35 THR HG22 1 1 16 8925 1 1 35 THR HG23 H 4.844 17.653 0.611 1.00 . A A . 35 THR HG23 1 1 16 8926 1 1 35 THR N N 7.682 14.807 0.936 1.00 . A A . 35 THR N 1 1 16 8927 1 1 35 THR O O 7.304 15.194 3.525 1.00 . A A . 35 THR O 1 1 16 8928 1 1 35 THR OG1 O 7.283 18.515 1.059 1.00 . A A . 35 THR OG1 1 1 17 8929 1 1 1 ASP C C 7.178 -10.358 0.679 1.00 . A A . 1 ASP C 1 1 17 8930 1 1 1 ASP CA C 7.814 -11.702 0.657 1.00 . A A . 1 ASP CA 1 1 17 8931 1 1 1 ASP CB C 8.432 -11.917 -0.730 1.00 . A A . 1 ASP CB 1 1 17 8932 1 1 1 ASP CG C 9.228 -13.177 -0.837 1.00 . A A . 1 ASP CG 1 1 17 8933 1 1 1 ASP H1 H 7.181 -13.681 0.931 1.00 . A A . 1 ASP H1 1 1 17 8934 1 1 1 ASP H2 H 6.006 -12.632 0.288 1.00 . A A . 1 ASP H2 1 1 17 8935 1 1 1 ASP H3 H 6.407 -12.538 1.905 1.00 . A A . 1 ASP H3 1 1 17 8936 1 1 1 ASP HA H 8.589 -11.750 1.407 1.00 . A A . 1 ASP HA 1 1 17 8937 1 1 1 ASP HB2 H 7.644 -11.956 -1.467 1.00 . A A . 1 ASP HB2 1 1 17 8938 1 1 1 ASP HB3 H 9.077 -11.082 -0.956 1.00 . A A . 1 ASP HB3 1 1 17 8939 1 1 1 ASP N N 6.797 -12.717 0.958 1.00 . A A . 1 ASP N 1 1 17 8940 1 1 1 ASP O O 5.983 -10.243 0.416 1.00 . A A . 1 ASP O 1 1 17 8941 1 1 1 ASP OD1 O 10.474 -13.104 -0.821 1.00 . A A . 1 ASP OD1 1 1 17 8942 1 1 1 ASP OD2 O 8.624 -14.266 -0.942 1.00 . A A . 1 ASP OD2 1 1 17 8943 1 1 2 CYS C C 7.399 -7.506 -0.455 1.00 . A A . 2 CYS C 1 1 17 8944 1 1 2 CYS CA C 7.450 -7.999 0.954 1.00 . A A . 2 CYS CA 1 1 17 8945 1 1 2 CYS CB C 8.303 -7.074 1.777 1.00 . A A . 2 CYS CB 1 1 17 8946 1 1 2 CYS H H 8.876 -9.478 1.271 1.00 . A A . 2 CYS H 1 1 17 8947 1 1 2 CYS HA H 6.444 -7.969 1.345 1.00 . A A . 2 CYS HA 1 1 17 8948 1 1 2 CYS HB2 H 7.980 -6.078 1.517 1.00 . A A . 2 CYS HB2 1 1 17 8949 1 1 2 CYS HB3 H 8.128 -7.216 2.826 1.00 . A A . 2 CYS HB3 1 1 17 8950 1 1 2 CYS N N 7.944 -9.341 0.995 1.00 . A A . 2 CYS N 1 1 17 8951 1 1 2 CYS O O 8.094 -8.022 -1.353 1.00 . A A . 2 CYS O 1 1 17 8952 1 1 2 CYS SG S 10.082 -7.150 1.407 1.00 . A A . 2 CYS SG 1 1 17 8953 1 1 3 ARG C C 7.342 -4.801 -2.126 1.00 . A A . 3 ARG C 1 1 17 8954 1 1 3 ARG CA C 6.406 -5.953 -1.939 1.00 . A A . 3 ARG CA 1 1 17 8955 1 1 3 ARG CB C 4.964 -5.530 -2.087 1.00 . A A . 3 ARG CB 1 1 17 8956 1 1 3 ARG CD C 2.609 -6.291 -1.848 1.00 . A A . 3 ARG CD 1 1 17 8957 1 1 3 ARG CG C 4.033 -6.707 -1.954 1.00 . A A . 3 ARG CG 1 1 17 8958 1 1 3 ARG CZ C 0.519 -7.354 -1.037 1.00 . A A . 3 ARG CZ 1 1 17 8959 1 1 3 ARG H H 6.115 -6.179 0.132 1.00 . A A . 3 ARG H 1 1 17 8960 1 1 3 ARG HA H 6.623 -6.707 -2.682 1.00 . A A . 3 ARG HA 1 1 17 8961 1 1 3 ARG HB2 H 4.733 -4.814 -1.310 1.00 . A A . 3 ARG HB2 1 1 17 8962 1 1 3 ARG HB3 H 4.814 -5.079 -3.056 1.00 . A A . 3 ARG HB3 1 1 17 8963 1 1 3 ARG HD2 H 2.523 -5.543 -1.073 1.00 . A A . 3 ARG HD2 1 1 17 8964 1 1 3 ARG HD3 H 2.300 -5.870 -2.793 1.00 . A A . 3 ARG HD3 1 1 17 8965 1 1 3 ARG HE H 2.213 -8.293 -1.661 1.00 . A A . 3 ARG HE 1 1 17 8966 1 1 3 ARG HG2 H 4.128 -7.316 -2.840 1.00 . A A . 3 ARG HG2 1 1 17 8967 1 1 3 ARG HG3 H 4.306 -7.281 -1.081 1.00 . A A . 3 ARG HG3 1 1 17 8968 1 1 3 ARG HH11 H 0.341 -5.345 -1.312 1.00 . A A . 3 ARG HH11 1 1 17 8969 1 1 3 ARG HH12 H -1.041 -6.078 -0.624 1.00 . A A . 3 ARG HH12 1 1 17 8970 1 1 3 ARG HH21 H 0.320 -9.359 -0.688 1.00 . A A . 3 ARG HH21 1 1 17 8971 1 1 3 ARG HH22 H -1.030 -8.418 -0.259 1.00 . A A . 3 ARG HH22 1 1 17 8972 1 1 3 ARG N N 6.600 -6.534 -0.651 1.00 . A A . 3 ARG N 1 1 17 8973 1 1 3 ARG NE N 1.759 -7.429 -1.529 1.00 . A A . 3 ARG NE 1 1 17 8974 1 1 3 ARG NH1 N -0.108 -6.185 -0.982 1.00 . A A . 3 ARG NH1 1 1 17 8975 1 1 3 ARG NH2 N -0.102 -8.449 -0.638 1.00 . A A . 3 ARG NH2 1 1 17 8976 1 1 3 ARG O O 7.614 -4.038 -1.180 1.00 . A A . 3 ARG O 1 1 17 8977 1 1 4 TYR C C 8.028 -2.505 -4.245 1.00 . A A . 4 TYR C 1 1 17 8978 1 1 4 TYR CA C 8.767 -3.689 -3.649 1.00 . A A . 4 TYR CA 1 1 17 8979 1 1 4 TYR CB C 9.792 -4.245 -4.607 1.00 . A A . 4 TYR CB 1 1 17 8980 1 1 4 TYR CD1 C 11.641 -4.909 -3.001 1.00 . A A . 4 TYR CD1 1 1 17 8981 1 1 4 TYR CD2 C 10.766 -6.572 -4.466 1.00 . A A . 4 TYR CD2 1 1 17 8982 1 1 4 TYR CE1 C 12.529 -5.822 -2.488 1.00 . A A . 4 TYR CE1 1 1 17 8983 1 1 4 TYR CE2 C 11.650 -7.494 -3.945 1.00 . A A . 4 TYR CE2 1 1 17 8984 1 1 4 TYR CG C 10.739 -5.266 -4.004 1.00 . A A . 4 TYR CG 1 1 17 8985 1 1 4 TYR CZ C 12.531 -7.110 -2.959 1.00 . A A . 4 TYR CZ 1 1 17 8986 1 1 4 TYR H H 7.626 -5.291 -4.050 1.00 . A A . 4 TYR H 1 1 17 8987 1 1 4 TYR HA H 9.273 -3.382 -2.746 1.00 . A A . 4 TYR HA 1 1 17 8988 1 1 4 TYR HB2 H 9.275 -4.702 -5.436 1.00 . A A . 4 TYR HB2 1 1 17 8989 1 1 4 TYR HB3 H 10.369 -3.428 -4.988 1.00 . A A . 4 TYR HB3 1 1 17 8990 1 1 4 TYR HD1 H 11.649 -3.907 -2.595 1.00 . A A . 4 TYR HD1 1 1 17 8991 1 1 4 TYR HD2 H 10.072 -6.868 -5.239 1.00 . A A . 4 TYR HD2 1 1 17 8992 1 1 4 TYR HE1 H 13.217 -5.519 -1.712 1.00 . A A . 4 TYR HE1 1 1 17 8993 1 1 4 TYR HE2 H 11.654 -8.509 -4.313 1.00 . A A . 4 TYR HE2 1 1 17 8994 1 1 4 TYR HH H 13.428 -7.938 -1.489 1.00 . A A . 4 TYR HH 1 1 17 8995 1 1 4 TYR N N 7.860 -4.695 -3.312 1.00 . A A . 4 TYR N 1 1 17 8996 1 1 4 TYR O O 6.797 -2.417 -4.136 1.00 . A A . 4 TYR O 1 1 17 8997 1 1 4 TYR OH O 13.426 -8.020 -2.450 1.00 . A A . 4 TYR OH 1 1 17 8998 1 1 5 MET C C 7.178 -0.731 -6.489 1.00 . A A . 5 MET C 1 1 17 8999 1 1 5 MET CA C 8.184 -0.389 -5.409 1.00 . A A . 5 MET CA 1 1 17 9000 1 1 5 MET CB C 9.266 0.531 -5.976 1.00 . A A . 5 MET CB 1 1 17 9001 1 1 5 MET CE C 9.394 4.639 -6.345 1.00 . A A . 5 MET CE 1 1 17 9002 1 1 5 MET CG C 8.858 1.976 -6.010 1.00 . A A . 5 MET CG 1 1 17 9003 1 1 5 MET H H 9.719 -1.768 -4.992 1.00 . A A . 5 MET H 1 1 17 9004 1 1 5 MET HA H 7.635 0.131 -4.634 1.00 . A A . 5 MET HA 1 1 17 9005 1 1 5 MET HB2 H 10.172 0.455 -5.397 1.00 . A A . 5 MET HB2 1 1 17 9006 1 1 5 MET HB3 H 9.477 0.224 -6.990 1.00 . A A . 5 MET HB3 1 1 17 9007 1 1 5 MET HE1 H 9.392 4.712 -5.265 1.00 . A A . 5 MET HE1 1 1 17 9008 1 1 5 MET HE2 H 8.387 4.725 -6.722 1.00 . A A . 5 MET HE2 1 1 17 9009 1 1 5 MET HE3 H 10.017 5.420 -6.753 1.00 . A A . 5 MET HE3 1 1 17 9010 1 1 5 MET HG2 H 7.921 2.078 -6.536 1.00 . A A . 5 MET HG2 1 1 17 9011 1 1 5 MET HG3 H 8.738 2.279 -4.983 1.00 . A A . 5 MET HG3 1 1 17 9012 1 1 5 MET N N 8.759 -1.606 -4.869 1.00 . A A . 5 MET N 1 1 17 9013 1 1 5 MET O O 7.423 -1.600 -7.331 1.00 . A A . 5 MET O 1 1 17 9014 1 1 5 MET SD S 10.077 3.045 -6.772 1.00 . A A . 5 MET SD 1 1 17 9015 1 1 6 PHE C C 4.101 -1.483 -6.980 1.00 . A A . 6 PHE C 1 1 17 9016 1 1 6 PHE CA C 4.899 -0.224 -7.309 1.00 . A A . 6 PHE CA 1 1 17 9017 1 1 6 PHE CB C 5.275 -0.119 -8.800 1.00 . A A . 6 PHE CB 1 1 17 9018 1 1 6 PHE CD1 C 7.253 1.369 -9.187 1.00 . A A . 6 PHE CD1 1 1 17 9019 1 1 6 PHE CD2 C 5.078 2.292 -9.469 1.00 . A A . 6 PHE CD2 1 1 17 9020 1 1 6 PHE CE1 C 7.819 2.581 -9.501 1.00 . A A . 6 PHE CE1 1 1 17 9021 1 1 6 PHE CE2 C 5.638 3.515 -9.790 1.00 . A A . 6 PHE CE2 1 1 17 9022 1 1 6 PHE CG C 5.881 1.207 -9.167 1.00 . A A . 6 PHE CG 1 1 17 9023 1 1 6 PHE CZ C 7.012 3.659 -9.806 1.00 . A A . 6 PHE CZ 1 1 17 9024 1 1 6 PHE H H 5.962 0.606 -5.692 1.00 . A A . 6 PHE H 1 1 17 9025 1 1 6 PHE HA H 4.246 0.601 -7.061 1.00 . A A . 6 PHE HA 1 1 17 9026 1 1 6 PHE HB2 H 5.986 -0.893 -9.047 1.00 . A A . 6 PHE HB2 1 1 17 9027 1 1 6 PHE HB3 H 4.380 -0.250 -9.390 1.00 . A A . 6 PHE HB3 1 1 17 9028 1 1 6 PHE HD1 H 7.887 0.527 -8.953 1.00 . A A . 6 PHE HD1 1 1 17 9029 1 1 6 PHE HD2 H 4.004 2.175 -9.453 1.00 . A A . 6 PHE HD2 1 1 17 9030 1 1 6 PHE HE1 H 8.896 2.672 -9.498 1.00 . A A . 6 PHE HE1 1 1 17 9031 1 1 6 PHE HE2 H 5.004 4.356 -10.027 1.00 . A A . 6 PHE HE2 1 1 17 9032 1 1 6 PHE HZ H 7.454 4.614 -10.052 1.00 . A A . 6 PHE HZ 1 1 17 9033 1 1 6 PHE N N 6.040 -0.058 -6.415 1.00 . A A . 6 PHE N 1 1 17 9034 1 1 6 PHE O O 3.131 -1.822 -7.668 1.00 . A A . 6 PHE O 1 1 17 9035 1 1 7 GLY C C 2.545 -2.706 -4.666 1.00 . A A . 7 GLY C 1 1 17 9036 1 1 7 GLY CA C 3.734 -3.263 -5.395 1.00 . A A . 7 GLY CA 1 1 17 9037 1 1 7 GLY H H 5.348 -1.926 -5.467 1.00 . A A . 7 GLY H 1 1 17 9038 1 1 7 GLY HA2 H 3.402 -3.893 -6.206 1.00 . A A . 7 GLY HA2 1 1 17 9039 1 1 7 GLY HA3 H 4.320 -3.849 -4.702 1.00 . A A . 7 GLY HA3 1 1 17 9040 1 1 7 GLY N N 4.506 -2.164 -5.913 1.00 . A A . 7 GLY N 1 1 17 9041 1 1 7 GLY O O 2.634 -1.616 -4.107 1.00 . A A . 7 GLY O 1 1 17 9042 1 1 8 ASP C C 0.266 -3.004 -2.597 1.00 . A A . 8 ASP C 1 1 17 9043 1 1 8 ASP CA C 0.203 -2.927 -4.077 1.00 . A A . 8 ASP CA 1 1 17 9044 1 1 8 ASP CB C -0.950 -3.747 -4.593 1.00 . A A . 8 ASP CB 1 1 17 9045 1 1 8 ASP CG C -2.321 -3.306 -4.131 1.00 . A A . 8 ASP CG 1 1 17 9046 1 1 8 ASP H H 1.492 -4.336 -5.022 1.00 . A A . 8 ASP H 1 1 17 9047 1 1 8 ASP HA H 0.066 -1.898 -4.377 1.00 . A A . 8 ASP HA 1 1 17 9048 1 1 8 ASP HB2 H -0.901 -3.541 -5.643 1.00 . A A . 8 ASP HB2 1 1 17 9049 1 1 8 ASP HB3 H -0.797 -4.798 -4.398 1.00 . A A . 8 ASP HB3 1 1 17 9050 1 1 8 ASP N N 1.457 -3.424 -4.662 1.00 . A A . 8 ASP N 1 1 17 9051 1 1 8 ASP O O 0.875 -3.910 -2.055 1.00 . A A . 8 ASP O 1 1 17 9052 1 1 8 ASP OD1 O -2.822 -3.821 -3.108 1.00 . A A . 8 ASP OD1 1 1 17 9053 1 1 8 ASP OD2 O -2.952 -2.487 -4.826 1.00 . A A . 8 ASP OD2 1 1 17 9054 1 1 9 CYS C C -1.488 -1.632 0.169 1.00 . A A . 9 CYS C 1 1 17 9055 1 1 9 CYS CA C -0.229 -2.110 -0.509 1.00 . A A . 9 CYS CA 1 1 17 9056 1 1 9 CYS CB C 0.962 -1.266 -0.103 1.00 . A A . 9 CYS CB 1 1 17 9057 1 1 9 CYS H H -0.857 -1.400 -2.390 1.00 . A A . 9 CYS H 1 1 17 9058 1 1 9 CYS HA H -0.028 -3.127 -0.207 1.00 . A A . 9 CYS HA 1 1 17 9059 1 1 9 CYS HB2 H 1.205 -1.406 0.939 1.00 . A A . 9 CYS HB2 1 1 17 9060 1 1 9 CYS HB3 H 1.758 -1.638 -0.735 1.00 . A A . 9 CYS HB3 1 1 17 9061 1 1 9 CYS N N -0.340 -2.098 -1.929 1.00 . A A . 9 CYS N 1 1 17 9062 1 1 9 CYS O O -2.277 -0.859 -0.404 1.00 . A A . 9 CYS O 1 1 17 9063 1 1 9 CYS SG S 0.783 0.519 -0.457 1.00 . A A . 9 CYS SG 1 1 17 9064 1 1 10 GLU C C -2.136 -0.939 3.330 1.00 . A A . 10 GLU C 1 1 17 9065 1 1 10 GLU CA C -2.779 -1.708 2.204 1.00 . A A . 10 GLU CA 1 1 17 9066 1 1 10 GLU CB C -3.529 -2.900 2.795 1.00 . A A . 10 GLU CB 1 1 17 9067 1 1 10 GLU CD C -4.842 -4.991 2.425 1.00 . A A . 10 GLU CD 1 1 17 9068 1 1 10 GLU CG C -4.089 -3.864 1.777 1.00 . A A . 10 GLU CG 1 1 17 9069 1 1 10 GLU H H -1.124 -2.854 1.708 1.00 . A A . 10 GLU H 1 1 17 9070 1 1 10 GLU HA H -3.455 -1.078 1.646 1.00 . A A . 10 GLU HA 1 1 17 9071 1 1 10 GLU HB2 H -2.853 -3.448 3.434 1.00 . A A . 10 GLU HB2 1 1 17 9072 1 1 10 GLU HB3 H -4.345 -2.529 3.396 1.00 . A A . 10 GLU HB3 1 1 17 9073 1 1 10 GLU HG2 H -4.742 -3.335 1.099 1.00 . A A . 10 GLU HG2 1 1 17 9074 1 1 10 GLU HG3 H -3.259 -4.279 1.224 1.00 . A A . 10 GLU HG3 1 1 17 9075 1 1 10 GLU N N -1.711 -2.145 1.355 1.00 . A A . 10 GLU N 1 1 17 9076 1 1 10 GLU O O -2.580 0.152 3.709 1.00 . A A . 10 GLU O 1 1 17 9077 1 1 10 GLU OE1 O -4.226 -6.031 2.738 1.00 . A A . 10 GLU OE1 1 1 17 9078 1 1 10 GLU OE2 O -6.064 -4.859 2.653 1.00 . A A . 10 GLU OE2 1 1 17 9079 1 1 11 LYS C C 1.157 -0.977 4.525 1.00 . A A . 11 LYS C 1 1 17 9080 1 1 11 LYS CA C -0.301 -0.969 4.901 1.00 . A A . 11 LYS CA 1 1 17 9081 1 1 11 LYS CB C -0.564 -1.772 6.182 1.00 . A A . 11 LYS CB 1 1 17 9082 1 1 11 LYS CD C -0.811 -3.989 7.322 1.00 . A A . 11 LYS CD 1 1 17 9083 1 1 11 LYS CE C -0.727 -5.495 7.191 1.00 . A A . 11 LYS CE 1 1 17 9084 1 1 11 LYS CG C -0.508 -3.285 6.014 1.00 . A A . 11 LYS CG 1 1 17 9085 1 1 11 LYS H H -0.709 -2.351 3.447 1.00 . A A . 11 LYS H 1 1 17 9086 1 1 11 LYS HA H -0.601 0.051 5.069 1.00 . A A . 11 LYS HA 1 1 17 9087 1 1 11 LYS HB2 H 0.186 -1.495 6.909 1.00 . A A . 11 LYS HB2 1 1 17 9088 1 1 11 LYS HB3 H -1.532 -1.498 6.568 1.00 . A A . 11 LYS HB3 1 1 17 9089 1 1 11 LYS HD2 H -0.086 -3.665 8.055 1.00 . A A . 11 LYS HD2 1 1 17 9090 1 1 11 LYS HD3 H -1.801 -3.712 7.652 1.00 . A A . 11 LYS HD3 1 1 17 9091 1 1 11 LYS HE2 H -1.486 -5.821 6.499 1.00 . A A . 11 LYS HE2 1 1 17 9092 1 1 11 LYS HE3 H 0.249 -5.761 6.814 1.00 . A A . 11 LYS HE3 1 1 17 9093 1 1 11 LYS HG2 H -1.245 -3.577 5.280 1.00 . A A . 11 LYS HG2 1 1 17 9094 1 1 11 LYS HG3 H 0.474 -3.566 5.667 1.00 . A A . 11 LYS HG3 1 1 17 9095 1 1 11 LYS HZ1 H -0.888 -7.209 8.365 1.00 . A A . 11 LYS HZ1 1 1 17 9096 1 1 11 LYS HZ2 H -1.881 -5.942 8.865 1.00 . A A . 11 LYS HZ2 1 1 17 9097 1 1 11 LYS HZ3 H -0.222 -5.889 9.170 1.00 . A A . 11 LYS HZ3 1 1 17 9098 1 1 11 LYS N N -1.061 -1.507 3.830 1.00 . A A . 11 LYS N 1 1 17 9099 1 1 11 LYS NZ N -0.947 -6.177 8.480 1.00 . A A . 11 LYS NZ 1 1 17 9100 1 1 11 LYS O O 1.537 -1.589 3.529 1.00 . A A . 11 LYS O 1 1 17 9101 1 1 12 ASP C C 4.067 -1.596 5.195 1.00 . A A . 12 ASP C 1 1 17 9102 1 1 12 ASP CA C 3.430 -0.258 5.035 1.00 . A A . 12 ASP CA 1 1 17 9103 1 1 12 ASP CB C 4.158 0.766 5.910 1.00 . A A . 12 ASP CB 1 1 17 9104 1 1 12 ASP CG C 3.912 2.186 5.488 1.00 . A A . 12 ASP CG 1 1 17 9105 1 1 12 ASP H H 1.615 0.109 6.115 1.00 . A A . 12 ASP H 1 1 17 9106 1 1 12 ASP HA H 3.536 0.033 4.000 1.00 . A A . 12 ASP HA 1 1 17 9107 1 1 12 ASP HB2 H 3.841 0.654 6.935 1.00 . A A . 12 ASP HB2 1 1 17 9108 1 1 12 ASP HB3 H 5.220 0.572 5.854 1.00 . A A . 12 ASP HB3 1 1 17 9109 1 1 12 ASP N N 1.981 -0.328 5.316 1.00 . A A . 12 ASP N 1 1 17 9110 1 1 12 ASP O O 5.134 -1.858 4.652 1.00 . A A . 12 ASP O 1 1 17 9111 1 1 12 ASP OD1 O 4.672 2.693 4.656 1.00 . A A . 12 ASP OD1 1 1 17 9112 1 1 12 ASP OD2 O 2.951 2.822 5.989 1.00 . A A . 12 ASP OD2 1 1 17 9113 1 1 13 GLU C C 3.877 -4.614 4.915 1.00 . A A . 13 GLU C 1 1 17 9114 1 1 13 GLU CA C 3.831 -3.803 6.167 1.00 . A A . 13 GLU CA 1 1 17 9115 1 1 13 GLU CB C 2.927 -4.513 7.146 1.00 . A A . 13 GLU CB 1 1 17 9116 1 1 13 GLU CD C 2.399 -2.603 8.793 1.00 . A A . 13 GLU CD 1 1 17 9117 1 1 13 GLU CG C 2.968 -3.992 8.599 1.00 . A A . 13 GLU CG 1 1 17 9118 1 1 13 GLU H H 2.510 -2.160 6.249 1.00 . A A . 13 GLU H 1 1 17 9119 1 1 13 GLU HA H 4.819 -3.750 6.596 1.00 . A A . 13 GLU HA 1 1 17 9120 1 1 13 GLU HB2 H 1.937 -4.424 6.720 1.00 . A A . 13 GLU HB2 1 1 17 9121 1 1 13 GLU HB3 H 3.188 -5.559 7.113 1.00 . A A . 13 GLU HB3 1 1 17 9122 1 1 13 GLU HG2 H 2.405 -4.666 9.225 1.00 . A A . 13 GLU HG2 1 1 17 9123 1 1 13 GLU HG3 H 3.997 -3.993 8.928 1.00 . A A . 13 GLU HG3 1 1 17 9124 1 1 13 GLU N N 3.375 -2.461 5.898 1.00 . A A . 13 GLU N 1 1 17 9125 1 1 13 GLU O O 4.617 -5.576 4.833 1.00 . A A . 13 GLU O 1 1 17 9126 1 1 13 GLU OE1 O 1.213 -2.481 9.068 1.00 . A A . 13 GLU OE1 1 1 17 9127 1 1 13 GLU OE2 O 3.138 -1.614 8.683 1.00 . A A . 13 GLU OE2 1 1 17 9128 1 1 14 ASP C C 4.313 -4.720 1.912 1.00 . A A . 14 ASP C 1 1 17 9129 1 1 14 ASP CA C 3.037 -4.969 2.696 1.00 . A A . 14 ASP CA 1 1 17 9130 1 1 14 ASP CB C 1.826 -4.597 1.829 1.00 . A A . 14 ASP CB 1 1 17 9131 1 1 14 ASP CG C 0.462 -4.832 2.449 1.00 . A A . 14 ASP CG 1 1 17 9132 1 1 14 ASP H H 2.515 -3.435 4.037 1.00 . A A . 14 ASP H 1 1 17 9133 1 1 14 ASP HA H 2.989 -6.019 2.942 1.00 . A A . 14 ASP HA 1 1 17 9134 1 1 14 ASP HB2 H 1.885 -3.577 1.485 1.00 . A A . 14 ASP HB2 1 1 17 9135 1 1 14 ASP HB3 H 1.909 -5.269 0.998 1.00 . A A . 14 ASP HB3 1 1 17 9136 1 1 14 ASP N N 3.078 -4.233 3.934 1.00 . A A . 14 ASP N 1 1 17 9137 1 1 14 ASP O O 4.762 -5.558 1.141 1.00 . A A . 14 ASP O 1 1 17 9138 1 1 14 ASP OD1 O -0.199 -3.869 2.818 1.00 . A A . 14 ASP OD1 1 1 17 9139 1 1 14 ASP OD2 O 0.015 -6.002 2.547 1.00 . A A . 14 ASP OD2 1 1 17 9140 1 1 15 CYS C C 7.315 -3.575 2.285 1.00 . A A . 15 CYS C 1 1 17 9141 1 1 15 CYS CA C 6.101 -3.174 1.472 1.00 . A A . 15 CYS CA 1 1 17 9142 1 1 15 CYS CB C 6.099 -1.665 1.326 1.00 . A A . 15 CYS CB 1 1 17 9143 1 1 15 CYS H H 4.536 -2.994 2.836 1.00 . A A . 15 CYS H 1 1 17 9144 1 1 15 CYS HA H 6.134 -3.620 0.490 1.00 . A A . 15 CYS HA 1 1 17 9145 1 1 15 CYS HB2 H 6.329 -1.228 2.284 1.00 . A A . 15 CYS HB2 1 1 17 9146 1 1 15 CYS HB3 H 6.878 -1.390 0.631 1.00 . A A . 15 CYS HB3 1 1 17 9147 1 1 15 CYS N N 4.904 -3.584 2.151 1.00 . A A . 15 CYS N 1 1 17 9148 1 1 15 CYS O O 7.207 -3.859 3.484 1.00 . A A . 15 CYS O 1 1 17 9149 1 1 15 CYS SG S 4.529 -0.989 0.703 1.00 . A A . 15 CYS SG 1 1 17 9150 1 1 16 CYS C C 10.133 -2.732 3.173 1.00 . A A . 16 CYS C 1 1 17 9151 1 1 16 CYS CA C 9.705 -3.908 2.268 1.00 . A A . 16 CYS CA 1 1 17 9152 1 1 16 CYS CB C 10.758 -4.201 1.219 1.00 . A A . 16 CYS CB 1 1 17 9153 1 1 16 CYS H H 8.435 -3.602 0.651 1.00 . A A . 16 CYS H 1 1 17 9154 1 1 16 CYS HA H 9.577 -4.788 2.879 1.00 . A A . 16 CYS HA 1 1 17 9155 1 1 16 CYS HB2 H 10.949 -3.311 0.646 1.00 . A A . 16 CYS HB2 1 1 17 9156 1 1 16 CYS HB3 H 11.684 -4.443 1.702 1.00 . A A . 16 CYS HB3 1 1 17 9157 1 1 16 CYS N N 8.443 -3.655 1.628 1.00 . A A . 16 CYS N 1 1 17 9158 1 1 16 CYS O O 9.499 -1.662 3.181 1.00 . A A . 16 CYS O 1 1 17 9159 1 1 16 CYS SG S 10.351 -5.601 0.126 1.00 . A A . 16 CYS SG 1 1 17 9160 1 1 17 LYS C C 11.954 -0.610 4.418 1.00 . A A . 17 LYS C 1 1 17 9161 1 1 17 LYS CA C 11.724 -2.012 4.912 1.00 . A A . 17 LYS CA 1 1 17 9162 1 1 17 LYS CB C 13.034 -2.520 5.486 1.00 . A A . 17 LYS CB 1 1 17 9163 1 1 17 LYS CD C 12.034 -3.938 7.291 1.00 . A A . 17 LYS CD 1 1 17 9164 1 1 17 LYS CE C 12.091 -5.284 7.998 1.00 . A A . 17 LYS CE 1 1 17 9165 1 1 17 LYS CG C 12.975 -3.886 6.103 1.00 . A A . 17 LYS CG 1 1 17 9166 1 1 17 LYS H H 11.781 -3.708 3.619 1.00 . A A . 17 LYS H 1 1 17 9167 1 1 17 LYS HA H 11.001 -1.991 5.710 1.00 . A A . 17 LYS HA 1 1 17 9168 1 1 17 LYS HB2 H 13.768 -2.544 4.694 1.00 . A A . 17 LYS HB2 1 1 17 9169 1 1 17 LYS HB3 H 13.365 -1.820 6.239 1.00 . A A . 17 LYS HB3 1 1 17 9170 1 1 17 LYS HD2 H 12.313 -3.163 7.990 1.00 . A A . 17 LYS HD2 1 1 17 9171 1 1 17 LYS HD3 H 11.026 -3.765 6.944 1.00 . A A . 17 LYS HD3 1 1 17 9172 1 1 17 LYS HE2 H 13.100 -5.438 8.348 1.00 . A A . 17 LYS HE2 1 1 17 9173 1 1 17 LYS HE3 H 11.420 -5.257 8.844 1.00 . A A . 17 LYS HE3 1 1 17 9174 1 1 17 LYS HG2 H 12.627 -4.579 5.351 1.00 . A A . 17 LYS HG2 1 1 17 9175 1 1 17 LYS HG3 H 13.979 -4.133 6.403 1.00 . A A . 17 LYS HG3 1 1 17 9176 1 1 17 LYS HZ1 H 12.380 -6.496 6.319 1.00 . A A . 17 LYS HZ1 1 1 17 9177 1 1 17 LYS HZ2 H 10.764 -6.323 6.754 1.00 . A A . 17 LYS HZ2 1 1 17 9178 1 1 17 LYS HZ3 H 11.770 -7.316 7.652 1.00 . A A . 17 LYS HZ3 1 1 17 9179 1 1 17 LYS N N 11.242 -2.923 3.860 1.00 . A A . 17 LYS N 1 1 17 9180 1 1 17 LYS NZ N 11.730 -6.418 7.127 1.00 . A A . 17 LYS NZ 1 1 17 9181 1 1 17 LYS O O 11.371 0.355 4.916 1.00 . A A . 17 LYS O 1 1 17 9182 1 1 18 HIS C C 12.175 1.408 1.965 1.00 . A A . 18 HIS C 1 1 17 9183 1 1 18 HIS CA C 13.223 0.781 2.895 1.00 . A A . 18 HIS CA 1 1 17 9184 1 1 18 HIS CB C 14.559 0.607 2.159 1.00 . A A . 18 HIS CB 1 1 17 9185 1 1 18 HIS CD2 C 16.192 0.291 4.158 1.00 . A A . 18 HIS CD2 1 1 17 9186 1 1 18 HIS CE1 C 17.052 -1.615 3.603 1.00 . A A . 18 HIS CE1 1 1 17 9187 1 1 18 HIS CG C 15.618 -0.076 2.985 1.00 . A A . 18 HIS CG 1 1 17 9188 1 1 18 HIS H H 13.113 -1.361 3.078 1.00 . A A . 18 HIS H 1 1 17 9189 1 1 18 HIS HA H 13.379 1.443 3.734 1.00 . A A . 18 HIS HA 1 1 17 9190 1 1 18 HIS HB2 H 14.402 0.018 1.267 1.00 . A A . 18 HIS HB2 1 1 17 9191 1 1 18 HIS HB3 H 14.930 1.581 1.880 1.00 . A A . 18 HIS HB3 1 1 17 9192 1 1 18 HIS HD1 H 15.980 -1.812 1.847 1.00 . A A . 18 HIS HD1 1 1 17 9193 1 1 18 HIS HD2 H 15.983 1.191 4.714 1.00 . A A . 18 HIS HD2 1 1 17 9194 1 1 18 HIS HE1 H 17.638 -2.522 3.607 1.00 . A A . 18 HIS HE1 1 1 17 9195 1 1 18 HIS N N 12.776 -0.510 3.438 1.00 . A A . 18 HIS N 1 1 17 9196 1 1 18 HIS ND1 N 16.183 -1.284 2.653 1.00 . A A . 18 HIS ND1 1 1 17 9197 1 1 18 HIS NE2 N 17.101 -0.692 4.546 1.00 . A A . 18 HIS NE2 1 1 17 9198 1 1 18 HIS O O 12.456 2.362 1.241 1.00 . A A . 18 HIS O 1 1 17 9199 1 1 19 LEU C C 8.742 1.779 2.105 1.00 . A A . 19 LEU C 1 1 17 9200 1 1 19 LEU CA C 9.887 1.359 1.214 1.00 . A A . 19 LEU CA 1 1 17 9201 1 1 19 LEU CB C 9.419 0.229 0.293 1.00 . A A . 19 LEU CB 1 1 17 9202 1 1 19 LEU CD1 C 9.940 -1.568 -1.321 1.00 . A A . 19 LEU CD1 1 1 17 9203 1 1 19 LEU CD2 C 10.691 0.687 -1.796 1.00 . A A . 19 LEU CD2 1 1 17 9204 1 1 19 LEU CG C 10.438 -0.310 -0.703 1.00 . A A . 19 LEU CG 1 1 17 9205 1 1 19 LEU H H 10.785 0.190 2.678 1.00 . A A . 19 LEU H 1 1 17 9206 1 1 19 LEU HA H 10.190 2.209 0.619 1.00 . A A . 19 LEU HA 1 1 17 9207 1 1 19 LEU HB2 H 9.096 -0.592 0.917 1.00 . A A . 19 LEU HB2 1 1 17 9208 1 1 19 LEU HB3 H 8.563 0.585 -0.261 1.00 . A A . 19 LEU HB3 1 1 17 9209 1 1 19 LEU HD11 H 9.739 -2.306 -0.560 1.00 . A A . 19 LEU HD11 1 1 17 9210 1 1 19 LEU HD12 H 10.703 -1.927 -1.995 1.00 . A A . 19 LEU HD12 1 1 17 9211 1 1 19 LEU HD13 H 9.040 -1.354 -1.878 1.00 . A A . 19 LEU HD13 1 1 17 9212 1 1 19 LEU HD21 H 9.762 0.940 -2.286 1.00 . A A . 19 LEU HD21 1 1 17 9213 1 1 19 LEU HD22 H 11.367 0.250 -2.515 1.00 . A A . 19 LEU HD22 1 1 17 9214 1 1 19 LEU HD23 H 11.140 1.574 -1.377 1.00 . A A . 19 LEU HD23 1 1 17 9215 1 1 19 LEU HG H 11.375 -0.505 -0.203 1.00 . A A . 19 LEU HG 1 1 17 9216 1 1 19 LEU N N 10.975 0.900 2.028 1.00 . A A . 19 LEU N 1 1 17 9217 1 1 19 LEU O O 8.739 1.504 3.318 1.00 . A A . 19 LEU O 1 1 17 9218 1 1 20 GLY C C 5.423 2.759 1.350 1.00 . A A . 20 GLY C 1 1 17 9219 1 1 20 GLY CA C 6.632 2.850 2.216 1.00 . A A . 20 GLY CA 1 1 17 9220 1 1 20 GLY H H 7.853 2.599 0.549 1.00 . A A . 20 GLY H 1 1 17 9221 1 1 20 GLY HA2 H 6.488 2.215 3.077 1.00 . A A . 20 GLY HA2 1 1 17 9222 1 1 20 GLY HA3 H 6.761 3.875 2.532 1.00 . A A . 20 GLY HA3 1 1 17 9223 1 1 20 GLY N N 7.785 2.417 1.514 1.00 . A A . 20 GLY N 1 1 17 9224 1 1 20 GLY O O 5.530 2.825 0.125 1.00 . A A . 20 GLY O 1 1 17 9225 1 1 21 CYS C C 2.445 3.838 0.994 1.00 . A A . 21 CYS C 1 1 17 9226 1 1 21 CYS CA C 3.056 2.474 1.253 1.00 . A A . 21 CYS CA 1 1 17 9227 1 1 21 CYS CB C 2.091 1.590 2.069 1.00 . A A . 21 CYS CB 1 1 17 9228 1 1 21 CYS H H 4.307 2.633 2.948 1.00 . A A . 21 CYS H 1 1 17 9229 1 1 21 CYS HA H 3.255 1.989 0.309 1.00 . A A . 21 CYS HA 1 1 17 9230 1 1 21 CYS HB2 H 2.523 0.605 2.160 1.00 . A A . 21 CYS HB2 1 1 17 9231 1 1 21 CYS HB3 H 1.966 2.005 3.059 1.00 . A A . 21 CYS HB3 1 1 17 9232 1 1 21 CYS N N 4.301 2.618 1.960 1.00 . A A . 21 CYS N 1 1 17 9233 1 1 21 CYS O O 2.007 4.517 1.931 1.00 . A A . 21 CYS O 1 1 17 9234 1 1 21 CYS SG S 0.426 1.368 1.347 1.00 . A A . 21 CYS SG 1 1 17 9235 1 1 22 LYS C C 0.374 5.348 -0.530 1.00 . A A . 22 LYS C 1 1 17 9236 1 1 22 LYS CA C 1.834 5.515 -0.626 1.00 . A A . 22 LYS CA 1 1 17 9237 1 1 22 LYS CB C 2.152 5.975 -2.041 1.00 . A A . 22 LYS CB 1 1 17 9238 1 1 22 LYS CD C 3.999 7.615 -1.490 1.00 . A A . 22 LYS CD 1 1 17 9239 1 1 22 LYS CE C 5.346 8.141 -1.980 1.00 . A A . 22 LYS CE 1 1 17 9240 1 1 22 LYS CG C 3.573 6.384 -2.293 1.00 . A A . 22 LYS CG 1 1 17 9241 1 1 22 LYS H H 2.851 3.704 -0.967 1.00 . A A . 22 LYS H 1 1 17 9242 1 1 22 LYS HA H 2.160 6.261 0.080 1.00 . A A . 22 LYS HA 1 1 17 9243 1 1 22 LYS HB2 H 1.911 5.155 -2.699 1.00 . A A . 22 LYS HB2 1 1 17 9244 1 1 22 LYS HB3 H 1.503 6.804 -2.280 1.00 . A A . 22 LYS HB3 1 1 17 9245 1 1 22 LYS HD2 H 3.255 8.389 -1.607 1.00 . A A . 22 LYS HD2 1 1 17 9246 1 1 22 LYS HD3 H 4.085 7.348 -0.447 1.00 . A A . 22 LYS HD3 1 1 17 9247 1 1 22 LYS HE2 H 6.069 7.340 -1.945 1.00 . A A . 22 LYS HE2 1 1 17 9248 1 1 22 LYS HE3 H 5.234 8.469 -3.002 1.00 . A A . 22 LYS HE3 1 1 17 9249 1 1 22 LYS HG2 H 4.135 5.542 -1.931 1.00 . A A . 22 LYS HG2 1 1 17 9250 1 1 22 LYS HG3 H 3.743 6.536 -3.349 1.00 . A A . 22 LYS HG3 1 1 17 9251 1 1 22 LYS HZ1 H 6.620 9.754 -1.695 1.00 . A A . 22 LYS HZ1 1 1 17 9252 1 1 22 LYS HZ2 H 6.340 8.915 -0.304 1.00 . A A . 22 LYS HZ2 1 1 17 9253 1 1 22 LYS HZ3 H 5.126 9.943 -0.906 1.00 . A A . 22 LYS HZ3 1 1 17 9254 1 1 22 LYS N N 2.455 4.268 -0.265 1.00 . A A . 22 LYS N 1 1 17 9255 1 1 22 LYS NZ N 5.871 9.262 -1.168 1.00 . A A . 22 LYS NZ 1 1 17 9256 1 1 22 LYS O O -0.241 4.654 -1.361 1.00 . A A . 22 LYS O 1 1 17 9257 1 1 23 ARG C C -2.391 6.691 -0.302 1.00 . A A . 23 ARG C 1 1 17 9258 1 1 23 ARG CA C -1.579 5.972 0.739 1.00 . A A . 23 ARG CA 1 1 17 9259 1 1 23 ARG CB C -1.810 6.604 2.117 1.00 . A A . 23 ARG CB 1 1 17 9260 1 1 23 ARG CD C -1.030 4.552 3.277 1.00 . A A . 23 ARG CD 1 1 17 9261 1 1 23 ARG CG C -0.900 6.047 3.205 1.00 . A A . 23 ARG CG 1 1 17 9262 1 1 23 ARG CZ C -0.563 3.039 5.232 1.00 . A A . 23 ARG CZ 1 1 17 9263 1 1 23 ARG H H 0.395 6.652 0.913 1.00 . A A . 23 ARG H 1 1 17 9264 1 1 23 ARG HA H -1.886 4.939 0.773 1.00 . A A . 23 ARG HA 1 1 17 9265 1 1 23 ARG HB2 H -1.636 7.667 2.040 1.00 . A A . 23 ARG HB2 1 1 17 9266 1 1 23 ARG HB3 H -2.836 6.436 2.410 1.00 . A A . 23 ARG HB3 1 1 17 9267 1 1 23 ARG HD2 H -2.074 4.331 3.438 1.00 . A A . 23 ARG HD2 1 1 17 9268 1 1 23 ARG HD3 H -0.722 4.206 2.298 1.00 . A A . 23 ARG HD3 1 1 17 9269 1 1 23 ARG HE H 0.773 4.241 4.274 1.00 . A A . 23 ARG HE 1 1 17 9270 1 1 23 ARG HG2 H 0.123 6.305 2.977 1.00 . A A . 23 ARG HG2 1 1 17 9271 1 1 23 ARG HG3 H -1.183 6.477 4.154 1.00 . A A . 23 ARG HG3 1 1 17 9272 1 1 23 ARG HH11 H -2.530 3.044 4.691 1.00 . A A . 23 ARG HH11 1 1 17 9273 1 1 23 ARG HH12 H -2.133 2.010 6.000 1.00 . A A . 23 ARG HH12 1 1 17 9274 1 1 23 ARG HH21 H 1.305 2.739 6.052 1.00 . A A . 23 ARG HH21 1 1 17 9275 1 1 23 ARG HH22 H 0.048 1.857 6.792 1.00 . A A . 23 ARG HH22 1 1 17 9276 1 1 23 ARG N N -0.183 6.038 0.409 1.00 . A A . 23 ARG N 1 1 17 9277 1 1 23 ARG NE N -0.166 3.945 4.312 1.00 . A A . 23 ARG NE 1 1 17 9278 1 1 23 ARG NH1 N -1.832 2.672 5.308 1.00 . A A . 23 ARG NH1 1 1 17 9279 1 1 23 ARG NH2 N 0.319 2.505 6.074 1.00 . A A . 23 ARG NH2 1 1 17 9280 1 1 23 ARG O O -3.609 6.588 -0.338 1.00 . A A . 23 ARG O 1 1 17 9281 1 1 24 LYS C C -2.601 7.274 -3.378 1.00 . A A . 24 LYS C 1 1 17 9282 1 1 24 LYS CA C -2.354 8.152 -2.183 1.00 . A A . 24 LYS CA 1 1 17 9283 1 1 24 LYS CB C -1.448 9.323 -2.590 1.00 . A A . 24 LYS CB 1 1 17 9284 1 1 24 LYS CD C -1.061 11.303 -4.129 1.00 . A A . 24 LYS CD 1 1 17 9285 1 1 24 LYS CE C -0.461 12.150 -3.015 1.00 . A A . 24 LYS CE 1 1 17 9286 1 1 24 LYS CG C -2.068 10.275 -3.610 1.00 . A A . 24 LYS CG 1 1 17 9287 1 1 24 LYS H H -0.721 7.281 -1.167 1.00 . A A . 24 LYS H 1 1 17 9288 1 1 24 LYS HA H -3.284 8.538 -1.797 1.00 . A A . 24 LYS HA 1 1 17 9289 1 1 24 LYS HB2 H -1.209 9.889 -1.704 1.00 . A A . 24 LYS HB2 1 1 17 9290 1 1 24 LYS HB3 H -0.535 8.924 -3.006 1.00 . A A . 24 LYS HB3 1 1 17 9291 1 1 24 LYS HD2 H -0.261 10.783 -4.636 1.00 . A A . 24 LYS HD2 1 1 17 9292 1 1 24 LYS HD3 H -1.563 11.951 -4.833 1.00 . A A . 24 LYS HD3 1 1 17 9293 1 1 24 LYS HE2 H -1.254 12.632 -2.465 1.00 . A A . 24 LYS HE2 1 1 17 9294 1 1 24 LYS HE3 H 0.091 11.501 -2.351 1.00 . A A . 24 LYS HE3 1 1 17 9295 1 1 24 LYS HG2 H -2.436 9.697 -4.444 1.00 . A A . 24 LYS HG2 1 1 17 9296 1 1 24 LYS HG3 H -2.893 10.792 -3.143 1.00 . A A . 24 LYS HG3 1 1 17 9297 1 1 24 LYS HZ1 H -0.055 13.862 -4.137 1.00 . A A . 24 LYS HZ1 1 1 17 9298 1 1 24 LYS HZ2 H 1.205 12.753 -4.121 1.00 . A A . 24 LYS HZ2 1 1 17 9299 1 1 24 LYS HZ3 H 0.910 13.702 -2.764 1.00 . A A . 24 LYS HZ3 1 1 17 9300 1 1 24 LYS N N -1.704 7.367 -1.181 1.00 . A A . 24 LYS N 1 1 17 9301 1 1 24 LYS NZ N 0.457 13.182 -3.542 1.00 . A A . 24 LYS NZ 1 1 17 9302 1 1 24 LYS O O -3.631 7.350 -4.036 1.00 . A A . 24 LYS O 1 1 17 9303 1 1 25 MET C C -1.880 4.147 -4.558 1.00 . A A . 25 MET C 1 1 17 9304 1 1 25 MET CA C -1.647 5.624 -4.813 1.00 . A A . 25 MET CA 1 1 17 9305 1 1 25 MET CB C -0.342 5.848 -5.529 1.00 . A A . 25 MET CB 1 1 17 9306 1 1 25 MET CE C -1.181 6.639 -8.543 1.00 . A A . 25 MET CE 1 1 17 9307 1 1 25 MET CG C -0.144 7.269 -6.041 1.00 . A A . 25 MET CG 1 1 17 9308 1 1 25 MET H H -0.958 6.267 -2.937 1.00 . A A . 25 MET H 1 1 17 9309 1 1 25 MET HA H -2.435 5.993 -5.450 1.00 . A A . 25 MET HA 1 1 17 9310 1 1 25 MET HB2 H 0.466 5.608 -4.853 1.00 . A A . 25 MET HB2 1 1 17 9311 1 1 25 MET HB3 H -0.295 5.167 -6.358 1.00 . A A . 25 MET HB3 1 1 17 9312 1 1 25 MET HE1 H -0.179 6.749 -8.930 1.00 . A A . 25 MET HE1 1 1 17 9313 1 1 25 MET HE2 H -1.895 6.843 -9.328 1.00 . A A . 25 MET HE2 1 1 17 9314 1 1 25 MET HE3 H -1.323 5.630 -8.188 1.00 . A A . 25 MET HE3 1 1 17 9315 1 1 25 MET HG2 H -0.138 7.947 -5.200 1.00 . A A . 25 MET HG2 1 1 17 9316 1 1 25 MET HG3 H 0.808 7.312 -6.546 1.00 . A A . 25 MET HG3 1 1 17 9317 1 1 25 MET N N -1.656 6.405 -3.614 1.00 . A A . 25 MET N 1 1 17 9318 1 1 25 MET O O -2.127 3.378 -5.492 1.00 . A A . 25 MET O 1 1 17 9319 1 1 25 MET SD S -1.431 7.797 -7.192 1.00 . A A . 25 MET SD 1 1 17 9320 1 1 26 LYS C C -0.853 1.495 -3.312 1.00 . A A . 26 LYS C 1 1 17 9321 1 1 26 LYS CA C -1.961 2.392 -2.823 1.00 . A A . 26 LYS CA 1 1 17 9322 1 1 26 LYS CB C -3.356 1.826 -3.138 1.00 . A A . 26 LYS CB 1 1 17 9323 1 1 26 LYS CD C -4.222 2.797 -1.010 1.00 . A A . 26 LYS CD 1 1 17 9324 1 1 26 LYS CE C -5.347 3.546 -0.318 1.00 . A A . 26 LYS CE 1 1 17 9325 1 1 26 LYS CG C -4.479 2.620 -2.495 1.00 . A A . 26 LYS CG 1 1 17 9326 1 1 26 LYS H H -1.574 4.433 -2.613 1.00 . A A . 26 LYS H 1 1 17 9327 1 1 26 LYS HA H -1.836 2.429 -1.751 1.00 . A A . 26 LYS HA 1 1 17 9328 1 1 26 LYS HB2 H -3.499 1.832 -4.209 1.00 . A A . 26 LYS HB2 1 1 17 9329 1 1 26 LYS HB3 H -3.409 0.808 -2.782 1.00 . A A . 26 LYS HB3 1 1 17 9330 1 1 26 LYS HD2 H -4.100 1.824 -0.559 1.00 . A A . 26 LYS HD2 1 1 17 9331 1 1 26 LYS HD3 H -3.302 3.355 -0.906 1.00 . A A . 26 LYS HD3 1 1 17 9332 1 1 26 LYS HE2 H -5.071 3.716 0.713 1.00 . A A . 26 LYS HE2 1 1 17 9333 1 1 26 LYS HE3 H -5.475 4.497 -0.812 1.00 . A A . 26 LYS HE3 1 1 17 9334 1 1 26 LYS HG2 H -4.528 3.593 -2.960 1.00 . A A . 26 LYS HG2 1 1 17 9335 1 1 26 LYS HG3 H -5.412 2.097 -2.636 1.00 . A A . 26 LYS HG3 1 1 17 9336 1 1 26 LYS HZ1 H -6.975 2.696 -1.333 1.00 . A A . 26 LYS HZ1 1 1 17 9337 1 1 26 LYS HZ2 H -7.359 3.270 0.212 1.00 . A A . 26 LYS HZ2 1 1 17 9338 1 1 26 LYS HZ3 H -6.500 1.851 0.036 1.00 . A A . 26 LYS HZ3 1 1 17 9339 1 1 26 LYS N N -1.790 3.766 -3.299 1.00 . A A . 26 LYS N 1 1 17 9340 1 1 26 LYS NZ N -6.625 2.805 -0.361 1.00 . A A . 26 LYS NZ 1 1 17 9341 1 1 26 LYS O O -1.059 0.311 -3.592 1.00 . A A . 26 LYS O 1 1 17 9342 1 1 27 TYR C C 2.735 1.624 -3.023 1.00 . A A . 27 TYR C 1 1 17 9343 1 1 27 TYR CA C 1.491 1.243 -3.763 1.00 . A A . 27 TYR CA 1 1 17 9344 1 1 27 TYR CB C 1.748 1.183 -5.299 1.00 . A A . 27 TYR CB 1 1 17 9345 1 1 27 TYR CD1 C 3.397 3.046 -5.809 1.00 . A A . 27 TYR CD1 1 1 17 9346 1 1 27 TYR CD2 C 1.289 3.072 -6.907 1.00 . A A . 27 TYR CD2 1 1 17 9347 1 1 27 TYR CE1 C 3.774 4.185 -6.475 1.00 . A A . 27 TYR CE1 1 1 17 9348 1 1 27 TYR CE2 C 1.659 4.215 -7.580 1.00 . A A . 27 TYR CE2 1 1 17 9349 1 1 27 TYR CG C 2.143 2.469 -6.007 1.00 . A A . 27 TYR CG 1 1 17 9350 1 1 27 TYR CZ C 2.899 4.768 -7.360 1.00 . A A . 27 TYR CZ 1 1 17 9351 1 1 27 TYR H H 0.410 2.951 -2.980 1.00 . A A . 27 TYR H 1 1 17 9352 1 1 27 TYR HA H 1.258 0.242 -3.424 1.00 . A A . 27 TYR HA 1 1 17 9353 1 1 27 TYR HB2 H 2.561 0.492 -5.460 1.00 . A A . 27 TYR HB2 1 1 17 9354 1 1 27 TYR HB3 H 0.876 0.775 -5.782 1.00 . A A . 27 TYR HB3 1 1 17 9355 1 1 27 TYR HD1 H 4.078 2.587 -5.107 1.00 . A A . 27 TYR HD1 1 1 17 9356 1 1 27 TYR HD2 H 0.314 2.640 -7.079 1.00 . A A . 27 TYR HD2 1 1 17 9357 1 1 27 TYR HE1 H 4.753 4.607 -6.302 1.00 . A A . 27 TYR HE1 1 1 17 9358 1 1 27 TYR HE2 H 0.973 4.676 -8.274 1.00 . A A . 27 TYR HE2 1 1 17 9359 1 1 27 TYR HH H 4.172 5.854 -8.338 1.00 . A A . 27 TYR HH 1 1 17 9360 1 1 27 TYR N N 0.334 2.038 -3.343 1.00 . A A . 27 TYR N 1 1 17 9361 1 1 27 TYR O O 2.835 2.725 -2.473 1.00 . A A . 27 TYR O 1 1 17 9362 1 1 27 TYR OH O 3.257 5.917 -8.028 1.00 . A A . 27 TYR OH 1 1 17 9363 1 1 28 CYS C C 5.842 1.822 -3.124 1.00 . A A . 28 CYS C 1 1 17 9364 1 1 28 CYS CA C 4.904 0.925 -2.346 1.00 . A A . 28 CYS CA 1 1 17 9365 1 1 28 CYS CB C 5.554 -0.429 -2.085 1.00 . A A . 28 CYS CB 1 1 17 9366 1 1 28 CYS H H 3.561 -0.071 -3.589 1.00 . A A . 28 CYS H 1 1 17 9367 1 1 28 CYS HA H 4.680 1.384 -1.395 1.00 . A A . 28 CYS HA 1 1 17 9368 1 1 28 CYS HB2 H 5.836 -0.872 -3.029 1.00 . A A . 28 CYS HB2 1 1 17 9369 1 1 28 CYS HB3 H 6.439 -0.287 -1.482 1.00 . A A . 28 CYS HB3 1 1 17 9370 1 1 28 CYS N N 3.687 0.747 -3.054 1.00 . A A . 28 CYS N 1 1 17 9371 1 1 28 CYS O O 6.067 1.626 -4.318 1.00 . A A . 28 CYS O 1 1 17 9372 1 1 28 CYS SG S 4.475 -1.617 -1.220 1.00 . A A . 28 CYS SG 1 1 17 9373 1 1 29 ALA C C 8.470 3.692 -2.064 1.00 . A A . 29 ALA C 1 1 17 9374 1 1 29 ALA CA C 7.304 3.706 -3.015 1.00 . A A . 29 ALA CA 1 1 17 9375 1 1 29 ALA CB C 6.723 5.088 -3.142 1.00 . A A . 29 ALA CB 1 1 17 9376 1 1 29 ALA H H 6.042 2.950 -1.539 1.00 . A A . 29 ALA H 1 1 17 9377 1 1 29 ALA HA H 7.597 3.340 -3.986 1.00 . A A . 29 ALA HA 1 1 17 9378 1 1 29 ALA HB1 H 7.472 5.770 -3.514 1.00 . A A . 29 ALA HB1 1 1 17 9379 1 1 29 ALA HB2 H 6.392 5.406 -2.165 1.00 . A A . 29 ALA HB2 1 1 17 9380 1 1 29 ALA HB3 H 5.880 5.066 -3.818 1.00 . A A . 29 ALA HB3 1 1 17 9381 1 1 29 ALA N N 6.333 2.813 -2.471 1.00 . A A . 29 ALA N 1 1 17 9382 1 1 29 ALA O O 8.452 2.914 -1.126 1.00 . A A . 29 ALA O 1 1 17 9383 1 1 30 TRP C C 10.316 5.182 0.009 1.00 . A A . 30 TRP C 1 1 17 9384 1 1 30 TRP CA C 10.613 4.571 -1.361 1.00 . A A . 30 TRP CA 1 1 17 9385 1 1 30 TRP CB C 11.825 5.230 -2.020 1.00 . A A . 30 TRP CB 1 1 17 9386 1 1 30 TRP CD1 C 12.264 4.705 -4.481 1.00 . A A . 30 TRP CD1 1 1 17 9387 1 1 30 TRP CD2 C 13.081 3.234 -3.053 1.00 . A A . 30 TRP CD2 1 1 17 9388 1 1 30 TRP CE2 C 13.398 2.795 -4.337 1.00 . A A . 30 TRP CE2 1 1 17 9389 1 1 30 TRP CE3 C 13.474 2.495 -1.979 1.00 . A A . 30 TRP CE3 1 1 17 9390 1 1 30 TRP CG C 12.368 4.440 -3.162 1.00 . A A . 30 TRP CG 1 1 17 9391 1 1 30 TRP CH2 C 14.485 0.908 -3.472 1.00 . A A . 30 TRP CH2 1 1 17 9392 1 1 30 TRP CZ2 C 14.106 1.624 -4.565 1.00 . A A . 30 TRP CZ2 1 1 17 9393 1 1 30 TRP CZ3 C 14.174 1.335 -2.182 1.00 . A A . 30 TRP CZ3 1 1 17 9394 1 1 30 TRP H H 9.399 5.216 -2.969 1.00 . A A . 30 TRP H 1 1 17 9395 1 1 30 TRP HA H 10.845 3.530 -1.200 1.00 . A A . 30 TRP HA 1 1 17 9396 1 1 30 TRP HB2 H 11.564 6.209 -2.378 1.00 . A A . 30 TRP HB2 1 1 17 9397 1 1 30 TRP HB3 H 12.610 5.330 -1.287 1.00 . A A . 30 TRP HB3 1 1 17 9398 1 1 30 TRP HD1 H 11.757 5.577 -4.864 1.00 . A A . 30 TRP HD1 1 1 17 9399 1 1 30 TRP HE1 H 12.968 3.655 -6.187 1.00 . A A . 30 TRP HE1 1 1 17 9400 1 1 30 TRP HE3 H 13.194 2.867 -1.007 1.00 . A A . 30 TRP HE3 1 1 17 9401 1 1 30 TRP HH2 H 15.036 -0.013 -3.591 1.00 . A A . 30 TRP HH2 1 1 17 9402 1 1 30 TRP HZ2 H 14.351 1.276 -5.556 1.00 . A A . 30 TRP HZ2 1 1 17 9403 1 1 30 TRP HZ3 H 14.489 0.744 -1.337 1.00 . A A . 30 TRP HZ3 1 1 17 9404 1 1 30 TRP N N 9.442 4.559 -2.242 1.00 . A A . 30 TRP N 1 1 17 9405 1 1 30 TRP NE1 N 12.895 3.714 -5.207 1.00 . A A . 30 TRP NE1 1 1 17 9406 1 1 30 TRP O O 11.210 5.323 0.854 1.00 . A A . 30 TRP O 1 1 17 9407 1 1 31 ASP C C 7.073 6.169 1.249 1.00 . A A . 31 ASP C 1 1 17 9408 1 1 31 ASP CA C 8.552 6.045 1.429 1.00 . A A . 31 ASP CA 1 1 17 9409 1 1 31 ASP CB C 9.162 7.389 1.838 1.00 . A A . 31 ASP CB 1 1 17 9410 1 1 31 ASP CG C 8.856 8.512 0.874 1.00 . A A . 31 ASP CG 1 1 17 9411 1 1 31 ASP H H 8.385 5.462 -0.486 1.00 . A A . 31 ASP H 1 1 17 9412 1 1 31 ASP HA H 8.750 5.302 2.185 1.00 . A A . 31 ASP HA 1 1 17 9413 1 1 31 ASP HB2 H 8.810 7.652 2.825 1.00 . A A . 31 ASP HB2 1 1 17 9414 1 1 31 ASP HB3 H 10.228 7.221 1.865 1.00 . A A . 31 ASP HB3 1 1 17 9415 1 1 31 ASP N N 9.068 5.540 0.211 1.00 . A A . 31 ASP N 1 1 17 9416 1 1 31 ASP O O 6.566 6.006 0.138 1.00 . A A . 31 ASP O 1 1 17 9417 1 1 31 ASP OD1 O 7.729 9.062 0.900 1.00 . A A . 31 ASP OD1 1 1 17 9418 1 1 31 ASP OD2 O 9.736 8.874 0.074 1.00 . A A . 31 ASP OD2 1 1 17 9419 1 1 32 PHE C C 4.420 7.957 2.285 1.00 . A A . 32 PHE C 1 1 17 9420 1 1 32 PHE CA C 4.948 6.527 2.323 1.00 . A A . 32 PHE CA 1 1 17 9421 1 1 32 PHE CB C 4.392 5.825 3.580 1.00 . A A . 32 PHE CB 1 1 17 9422 1 1 32 PHE CD1 C 4.397 7.544 5.460 1.00 . A A . 32 PHE CD1 1 1 17 9423 1 1 32 PHE CD2 C 5.839 5.661 5.635 1.00 . A A . 32 PHE CD2 1 1 17 9424 1 1 32 PHE CE1 C 4.843 8.004 6.683 1.00 . A A . 32 PHE CE1 1 1 17 9425 1 1 32 PHE CE2 C 6.290 6.119 6.857 1.00 . A A . 32 PHE CE2 1 1 17 9426 1 1 32 PHE CG C 4.896 6.362 4.916 1.00 . A A . 32 PHE CG 1 1 17 9427 1 1 32 PHE CZ C 5.791 7.292 7.381 1.00 . A A . 32 PHE CZ 1 1 17 9428 1 1 32 PHE H H 6.952 6.580 3.103 1.00 . A A . 32 PHE H 1 1 17 9429 1 1 32 PHE HA H 4.574 5.992 1.463 1.00 . A A . 32 PHE HA 1 1 17 9430 1 1 32 PHE HB2 H 3.317 5.924 3.580 1.00 . A A . 32 PHE HB2 1 1 17 9431 1 1 32 PHE HB3 H 4.641 4.776 3.527 1.00 . A A . 32 PHE HB3 1 1 17 9432 1 1 32 PHE HD1 H 3.663 8.123 4.912 1.00 . A A . 32 PHE HD1 1 1 17 9433 1 1 32 PHE HD2 H 6.228 4.743 5.224 1.00 . A A . 32 PHE HD2 1 1 17 9434 1 1 32 PHE HE1 H 4.447 8.923 7.092 1.00 . A A . 32 PHE HE1 1 1 17 9435 1 1 32 PHE HE2 H 7.032 5.557 7.402 1.00 . A A . 32 PHE HE2 1 1 17 9436 1 1 32 PHE HZ H 6.142 7.649 8.338 1.00 . A A . 32 PHE HZ 1 1 17 9437 1 1 32 PHE N N 6.407 6.448 2.304 1.00 . A A . 32 PHE N 1 1 17 9438 1 1 32 PHE O O 3.203 8.153 2.374 1.00 . A A . 32 PHE O 1 1 17 9439 1 1 33 THR C C 4.793 10.657 3.755 1.00 . A A . 33 THR C 1 1 17 9440 1 1 33 THR CA C 4.973 10.352 2.268 1.00 . A A . 33 THR CA 1 1 17 9441 1 1 33 THR CB C 3.703 10.780 1.481 1.00 . A A . 33 THR CB 1 1 17 9442 1 1 33 THR CG2 C 3.357 12.223 1.764 1.00 . A A . 33 THR CG2 1 1 17 9443 1 1 33 THR H H 6.241 8.718 1.880 1.00 . A A . 33 THR H 1 1 17 9444 1 1 33 THR HA H 5.831 10.904 1.911 1.00 . A A . 33 THR HA 1 1 17 9445 1 1 33 THR HB H 2.888 10.155 1.815 1.00 . A A . 33 THR HB 1 1 17 9446 1 1 33 THR HG1 H 3.195 11.122 -0.352 1.00 . A A . 33 THR HG1 1 1 17 9447 1 1 33 THR HG21 H 4.184 12.854 1.478 1.00 . A A . 33 THR HG21 1 1 17 9448 1 1 33 THR HG22 H 3.185 12.295 2.829 1.00 . A A . 33 THR HG22 1 1 17 9449 1 1 33 THR HG23 H 2.464 12.496 1.224 1.00 . A A . 33 THR HG23 1 1 17 9450 1 1 33 THR N N 5.310 8.933 2.119 1.00 . A A . 33 THR N 1 1 17 9451 1 1 33 THR O O 3.790 10.261 4.368 1.00 . A A . 33 THR O 1 1 17 9452 1 1 33 THR OG1 O 3.876 10.580 0.070 1.00 . A A . 33 THR OG1 1 1 17 9453 1 1 34 PHE C C 4.624 12.453 6.207 1.00 . A A . 34 PHE C 1 1 17 9454 1 1 34 PHE CA C 5.790 11.595 5.749 1.00 . A A . 34 PHE CA 1 1 17 9455 1 1 34 PHE CB C 7.135 12.185 6.164 1.00 . A A . 34 PHE CB 1 1 17 9456 1 1 34 PHE CD1 C 8.550 10.178 6.671 1.00 . A A . 34 PHE CD1 1 1 17 9457 1 1 34 PHE CD2 C 9.093 11.485 4.753 1.00 . A A . 34 PHE CD2 1 1 17 9458 1 1 34 PHE CE1 C 9.598 9.326 6.390 1.00 . A A . 34 PHE CE1 1 1 17 9459 1 1 34 PHE CE2 C 10.143 10.637 4.471 1.00 . A A . 34 PHE CE2 1 1 17 9460 1 1 34 PHE CG C 8.285 11.267 5.858 1.00 . A A . 34 PHE CG 1 1 17 9461 1 1 34 PHE CZ C 10.396 9.557 5.287 1.00 . A A . 34 PHE CZ 1 1 17 9462 1 1 34 PHE H H 6.450 11.737 3.754 1.00 . A A . 34 PHE H 1 1 17 9463 1 1 34 PHE HA H 5.684 10.631 6.226 1.00 . A A . 34 PHE HA 1 1 17 9464 1 1 34 PHE HB2 H 7.294 13.114 5.637 1.00 . A A . 34 PHE HB2 1 1 17 9465 1 1 34 PHE HB3 H 7.131 12.374 7.227 1.00 . A A . 34 PHE HB3 1 1 17 9466 1 1 34 PHE HD1 H 7.926 9.997 7.533 1.00 . A A . 34 PHE HD1 1 1 17 9467 1 1 34 PHE HD2 H 8.898 12.331 4.112 1.00 . A A . 34 PHE HD2 1 1 17 9468 1 1 34 PHE HE1 H 9.795 8.481 7.032 1.00 . A A . 34 PHE HE1 1 1 17 9469 1 1 34 PHE HE2 H 10.768 10.816 3.608 1.00 . A A . 34 PHE HE2 1 1 17 9470 1 1 34 PHE HZ H 11.217 8.893 5.064 1.00 . A A . 34 PHE HZ 1 1 17 9471 1 1 34 PHE N N 5.753 11.343 4.324 1.00 . A A . 34 PHE N 1 1 17 9472 1 1 34 PHE O O 4.554 13.650 5.940 1.00 . A A . 34 PHE O 1 1 17 9473 1 1 35 THR C C 1.949 11.460 8.426 1.00 . A A . 35 THR C 1 1 17 9474 1 1 35 THR CA C 2.482 12.399 7.354 1.00 . A A . 35 THR CA 1 1 17 9475 1 1 35 THR CB C 1.406 12.541 6.250 1.00 . A A . 35 THR CB 1 1 17 9476 1 1 35 THR CG2 C 0.179 13.272 6.770 1.00 . A A . 35 THR CG2 1 1 17 9477 1 1 35 THR H H 3.772 10.833 6.960 1.00 . A A . 35 THR H 1 1 17 9478 1 1 35 THR HA H 2.711 13.367 7.773 1.00 . A A . 35 THR HA 1 1 17 9479 1 1 35 THR HB H 1.118 11.550 5.931 1.00 . A A . 35 THR HB 1 1 17 9480 1 1 35 THR HG1 H 2.844 13.520 5.368 1.00 . A A . 35 THR HG1 1 1 17 9481 1 1 35 THR HG21 H -0.242 12.728 7.603 1.00 . A A . 35 THR HG21 1 1 17 9482 1 1 35 THR HG22 H -0.556 13.349 5.983 1.00 . A A . 35 THR HG22 1 1 17 9483 1 1 35 THR HG23 H 0.465 14.262 7.093 1.00 . A A . 35 THR HG23 1 1 17 9484 1 1 35 THR N N 3.681 11.800 6.824 1.00 . A A . 35 THR N 1 1 17 9485 1 1 35 THR O O 2.365 10.274 8.459 1.00 . A A . 35 THR O 1 1 17 9486 1 1 35 THR OG1 O 1.942 13.262 5.117 1.00 . A A . 35 THR OG1 1 1 18 9487 1 1 1 ASP C C 6.389 -10.098 0.335 1.00 . A A . 1 ASP C 1 1 18 9488 1 1 1 ASP CA C 6.816 -11.517 0.132 1.00 . A A . 1 ASP CA 1 1 18 9489 1 1 1 ASP CB C 7.520 -11.662 -1.229 1.00 . A A . 1 ASP CB 1 1 18 9490 1 1 1 ASP CG C 7.967 -13.073 -1.512 1.00 . A A . 1 ASP CG 1 1 18 9491 1 1 1 ASP H1 H 5.826 -13.358 0.031 1.00 . A A . 1 ASP H1 1 1 18 9492 1 1 1 ASP H2 H 4.937 -12.017 -0.531 1.00 . A A . 1 ASP H2 1 1 18 9493 1 1 1 ASP H3 H 5.162 -12.238 1.114 1.00 . A A . 1 ASP H3 1 1 18 9494 1 1 1 ASP HA H 7.484 -11.807 0.930 1.00 . A A . 1 ASP HA 1 1 18 9495 1 1 1 ASP HB2 H 6.838 -11.363 -2.011 1.00 . A A . 1 ASP HB2 1 1 18 9496 1 1 1 ASP HB3 H 8.384 -11.014 -1.253 1.00 . A A . 1 ASP HB3 1 1 18 9497 1 1 1 ASP N N 5.613 -12.352 0.185 1.00 . A A . 1 ASP N 1 1 18 9498 1 1 1 ASP O O 5.191 -9.833 0.454 1.00 . A A . 1 ASP O 1 1 18 9499 1 1 1 ASP OD1 O 7.104 -13.938 -1.758 1.00 . A A . 1 ASP OD1 1 1 18 9500 1 1 1 ASP OD2 O 9.181 -13.349 -1.510 1.00 . A A . 1 ASP OD2 1 1 18 9501 1 1 2 CYS C C 6.869 -7.153 -0.808 1.00 . A A . 2 CYS C 1 1 18 9502 1 1 2 CYS CA C 6.990 -7.809 0.538 1.00 . A A . 2 CYS CA 1 1 18 9503 1 1 2 CYS CB C 8.014 -7.084 1.379 1.00 . A A . 2 CYS CB 1 1 18 9504 1 1 2 CYS H H 8.274 -9.410 0.340 1.00 . A A . 2 CYS H 1 1 18 9505 1 1 2 CYS HA H 6.031 -7.733 1.027 1.00 . A A . 2 CYS HA 1 1 18 9506 1 1 2 CYS HB2 H 7.776 -6.037 1.289 1.00 . A A . 2 CYS HB2 1 1 18 9507 1 1 2 CYS HB3 H 7.938 -7.360 2.416 1.00 . A A . 2 CYS HB3 1 1 18 9508 1 1 2 CYS N N 7.321 -9.186 0.395 1.00 . A A . 2 CYS N 1 1 18 9509 1 1 2 CYS O O 7.216 -7.742 -1.848 1.00 . A A . 2 CYS O 1 1 18 9510 1 1 2 CYS SG S 9.732 -7.262 0.816 1.00 . A A . 2 CYS SG 1 1 18 9511 1 1 3 ARG C C 7.254 -4.166 -2.102 1.00 . A A . 3 ARG C 1 1 18 9512 1 1 3 ARG CA C 6.171 -5.203 -1.988 1.00 . A A . 3 ARG CA 1 1 18 9513 1 1 3 ARG CB C 4.824 -4.500 -1.948 1.00 . A A . 3 ARG CB 1 1 18 9514 1 1 3 ARG CD C 3.449 -6.412 -2.857 1.00 . A A . 3 ARG CD 1 1 18 9515 1 1 3 ARG CG C 3.636 -5.408 -1.738 1.00 . A A . 3 ARG CG 1 1 18 9516 1 1 3 ARG CZ C 1.859 -8.276 -3.360 1.00 . A A . 3 ARG CZ 1 1 18 9517 1 1 3 ARG H H 6.101 -5.579 0.071 1.00 . A A . 3 ARG H 1 1 18 9518 1 1 3 ARG HA H 6.194 -5.865 -2.839 1.00 . A A . 3 ARG HA 1 1 18 9519 1 1 3 ARG HB2 H 4.840 -3.789 -1.135 1.00 . A A . 3 ARG HB2 1 1 18 9520 1 1 3 ARG HB3 H 4.681 -3.954 -2.867 1.00 . A A . 3 ARG HB3 1 1 18 9521 1 1 3 ARG HD2 H 3.300 -5.872 -3.780 1.00 . A A . 3 ARG HD2 1 1 18 9522 1 1 3 ARG HD3 H 4.326 -7.036 -2.931 1.00 . A A . 3 ARG HD3 1 1 18 9523 1 1 3 ARG HE H 1.791 -7.022 -1.778 1.00 . A A . 3 ARG HE 1 1 18 9524 1 1 3 ARG HG2 H 3.782 -5.950 -0.815 1.00 . A A . 3 ARG HG2 1 1 18 9525 1 1 3 ARG HG3 H 2.747 -4.800 -1.656 1.00 . A A . 3 ARG HG3 1 1 18 9526 1 1 3 ARG HH11 H 3.257 -8.029 -4.841 1.00 . A A . 3 ARG HH11 1 1 18 9527 1 1 3 ARG HH12 H 2.189 -9.319 -5.112 1.00 . A A . 3 ARG HH12 1 1 18 9528 1 1 3 ARG HH21 H 0.290 -8.768 -2.136 1.00 . A A . 3 ARG HH21 1 1 18 9529 1 1 3 ARG HH22 H 0.442 -9.759 -3.492 1.00 . A A . 3 ARG HH22 1 1 18 9530 1 1 3 ARG N N 6.364 -5.965 -0.795 1.00 . A A . 3 ARG N 1 1 18 9531 1 1 3 ARG NE N 2.279 -7.257 -2.600 1.00 . A A . 3 ARG NE 1 1 18 9532 1 1 3 ARG NH1 N 2.475 -8.566 -4.513 1.00 . A A . 3 ARG NH1 1 1 18 9533 1 1 3 ARG NH2 N 0.799 -8.976 -2.976 1.00 . A A . 3 ARG NH2 1 1 18 9534 1 1 3 ARG O O 7.610 -3.504 -1.107 1.00 . A A . 3 ARG O 1 1 18 9535 1 1 4 TYR C C 7.981 -1.900 -4.199 1.00 . A A . 4 TYR C 1 1 18 9536 1 1 4 TYR CA C 8.737 -3.058 -3.583 1.00 . A A . 4 TYR CA 1 1 18 9537 1 1 4 TYR CB C 9.703 -3.620 -4.585 1.00 . A A . 4 TYR CB 1 1 18 9538 1 1 4 TYR CD1 C 10.237 -6.063 -4.537 1.00 . A A . 4 TYR CD1 1 1 18 9539 1 1 4 TYR CD2 C 11.597 -4.605 -3.237 1.00 . A A . 4 TYR CD2 1 1 18 9540 1 1 4 TYR CE1 C 10.989 -7.133 -4.137 1.00 . A A . 4 TYR CE1 1 1 18 9541 1 1 4 TYR CE2 C 12.352 -5.673 -2.825 1.00 . A A . 4 TYR CE2 1 1 18 9542 1 1 4 TYR CG C 10.523 -4.784 -4.104 1.00 . A A . 4 TYR CG 1 1 18 9543 1 1 4 TYR CZ C 12.044 -6.938 -3.283 1.00 . A A . 4 TYR CZ 1 1 18 9544 1 1 4 TYR H H 7.555 -4.635 -4.019 1.00 . A A . 4 TYR H 1 1 18 9545 1 1 4 TYR HA H 9.267 -2.757 -2.692 1.00 . A A . 4 TYR HA 1 1 18 9546 1 1 4 TYR HB2 H 9.137 -3.955 -5.443 1.00 . A A . 4 TYR HB2 1 1 18 9547 1 1 4 TYR HB3 H 10.361 -2.835 -4.895 1.00 . A A . 4 TYR HB3 1 1 18 9548 1 1 4 TYR HD1 H 9.405 -6.212 -5.208 1.00 . A A . 4 TYR HD1 1 1 18 9549 1 1 4 TYR HD2 H 11.842 -3.624 -2.856 1.00 . A A . 4 TYR HD2 1 1 18 9550 1 1 4 TYR HE1 H 10.747 -8.124 -4.489 1.00 . A A . 4 TYR HE1 1 1 18 9551 1 1 4 TYR HE2 H 13.179 -5.506 -2.152 1.00 . A A . 4 TYR HE2 1 1 18 9552 1 1 4 TYR HH H 13.076 -7.874 -1.980 1.00 . A A . 4 TYR HH 1 1 18 9553 1 1 4 TYR N N 7.790 -4.046 -3.272 1.00 . A A . 4 TYR N 1 1 18 9554 1 1 4 TYR O O 6.750 -1.811 -4.041 1.00 . A A . 4 TYR O 1 1 18 9555 1 1 4 TYR OH O 12.806 -8.016 -2.897 1.00 . A A . 4 TYR OH 1 1 18 9556 1 1 5 MET C C 7.029 -0.455 -6.564 1.00 . A A . 5 MET C 1 1 18 9557 1 1 5 MET CA C 8.005 0.085 -5.531 1.00 . A A . 5 MET CA 1 1 18 9558 1 1 5 MET CB C 8.977 1.076 -6.189 1.00 . A A . 5 MET CB 1 1 18 9559 1 1 5 MET CE C 10.531 3.910 -6.514 1.00 . A A . 5 MET CE 1 1 18 9560 1 1 5 MET CG C 8.268 2.327 -6.708 1.00 . A A . 5 MET CG 1 1 18 9561 1 1 5 MET H H 9.644 -1.121 -4.991 1.00 . A A . 5 MET H 1 1 18 9562 1 1 5 MET HA H 7.453 0.587 -4.752 1.00 . A A . 5 MET HA 1 1 18 9563 1 1 5 MET HB2 H 9.718 1.382 -5.467 1.00 . A A . 5 MET HB2 1 1 18 9564 1 1 5 MET HB3 H 9.472 0.591 -7.015 1.00 . A A . 5 MET HB3 1 1 18 9565 1 1 5 MET HE1 H 10.055 4.413 -5.685 1.00 . A A . 5 MET HE1 1 1 18 9566 1 1 5 MET HE2 H 11.235 4.571 -6.997 1.00 . A A . 5 MET HE2 1 1 18 9567 1 1 5 MET HE3 H 11.048 3.030 -6.159 1.00 . A A . 5 MET HE3 1 1 18 9568 1 1 5 MET HG2 H 7.436 2.016 -7.322 1.00 . A A . 5 MET HG2 1 1 18 9569 1 1 5 MET HG3 H 7.889 2.880 -5.862 1.00 . A A . 5 MET HG3 1 1 18 9570 1 1 5 MET N N 8.671 -1.021 -4.899 1.00 . A A . 5 MET N 1 1 18 9571 1 1 5 MET O O 7.356 -1.406 -7.280 1.00 . A A . 5 MET O 1 1 18 9572 1 1 5 MET SD S 9.310 3.421 -7.698 1.00 . A A . 5 MET SD 1 1 18 9573 1 1 6 PHE C C 3.943 -1.473 -6.989 1.00 . A A . 6 PHE C 1 1 18 9574 1 1 6 PHE CA C 4.712 -0.259 -7.490 1.00 . A A . 6 PHE CA 1 1 18 9575 1 1 6 PHE CB C 5.136 -0.433 -8.967 1.00 . A A . 6 PHE CB 1 1 18 9576 1 1 6 PHE CD1 C 4.905 1.769 -10.129 1.00 . A A . 6 PHE CD1 1 1 18 9577 1 1 6 PHE CD2 C 7.081 0.989 -9.598 1.00 . A A . 6 PHE CD2 1 1 18 9578 1 1 6 PHE CE1 C 5.447 2.911 -10.684 1.00 . A A . 6 PHE CE1 1 1 18 9579 1 1 6 PHE CE2 C 7.633 2.116 -10.140 1.00 . A A . 6 PHE CE2 1 1 18 9580 1 1 6 PHE CG C 5.718 0.800 -9.581 1.00 . A A . 6 PHE CG 1 1 18 9581 1 1 6 PHE CZ C 6.818 3.088 -10.686 1.00 . A A . 6 PHE CZ 1 1 18 9582 1 1 6 PHE H H 5.666 0.819 -5.909 1.00 . A A . 6 PHE H 1 1 18 9583 1 1 6 PHE HA H 4.020 0.569 -7.425 1.00 . A A . 6 PHE HA 1 1 18 9584 1 1 6 PHE HB2 H 5.879 -1.215 -9.030 1.00 . A A . 6 PHE HB2 1 1 18 9585 1 1 6 PHE HB3 H 4.270 -0.722 -9.544 1.00 . A A . 6 PHE HB3 1 1 18 9586 1 1 6 PHE HD1 H 3.835 1.622 -10.112 1.00 . A A . 6 PHE HD1 1 1 18 9587 1 1 6 PHE HD2 H 7.721 0.232 -9.171 1.00 . A A . 6 PHE HD2 1 1 18 9588 1 1 6 PHE HE1 H 4.803 3.665 -11.110 1.00 . A A . 6 PHE HE1 1 1 18 9589 1 1 6 PHE HE2 H 8.708 2.228 -10.100 1.00 . A A . 6 PHE HE2 1 1 18 9590 1 1 6 PHE HZ H 7.252 3.978 -11.118 1.00 . A A . 6 PHE HZ 1 1 18 9591 1 1 6 PHE N N 5.824 0.115 -6.577 1.00 . A A . 6 PHE N 1 1 18 9592 1 1 6 PHE O O 2.879 -1.807 -7.521 1.00 . A A . 6 PHE O 1 1 18 9593 1 1 7 GLY C C 2.642 -2.703 -4.511 1.00 . A A . 7 GLY C 1 1 18 9594 1 1 7 GLY CA C 3.768 -3.216 -5.364 1.00 . A A . 7 GLY CA 1 1 18 9595 1 1 7 GLY H H 5.323 -1.828 -5.584 1.00 . A A . 7 GLY H 1 1 18 9596 1 1 7 GLY HA2 H 3.369 -3.833 -6.157 1.00 . A A . 7 GLY HA2 1 1 18 9597 1 1 7 GLY HA3 H 4.450 -3.797 -4.763 1.00 . A A . 7 GLY HA3 1 1 18 9598 1 1 7 GLY N N 4.461 -2.110 -5.959 1.00 . A A . 7 GLY N 1 1 18 9599 1 1 7 GLY O O 2.810 -1.700 -3.818 1.00 . A A . 7 GLY O 1 1 18 9600 1 1 8 ASP C C 0.385 -2.997 -2.415 1.00 . A A . 8 ASP C 1 1 18 9601 1 1 8 ASP CA C 0.287 -2.913 -3.896 1.00 . A A . 8 ASP CA 1 1 18 9602 1 1 8 ASP CB C -0.883 -3.718 -4.372 1.00 . A A . 8 ASP CB 1 1 18 9603 1 1 8 ASP CG C -2.229 -3.220 -3.896 1.00 . A A . 8 ASP CG 1 1 18 9604 1 1 8 ASP H H 1.489 -4.219 -5.055 1.00 . A A . 8 ASP H 1 1 18 9605 1 1 8 ASP HA H 0.122 -1.883 -4.173 1.00 . A A . 8 ASP HA 1 1 18 9606 1 1 8 ASP HB2 H -0.841 -3.549 -5.429 1.00 . A A . 8 ASP HB2 1 1 18 9607 1 1 8 ASP HB3 H -0.757 -4.765 -4.141 1.00 . A A . 8 ASP HB3 1 1 18 9608 1 1 8 ASP N N 1.514 -3.371 -4.562 1.00 . A A . 8 ASP N 1 1 18 9609 1 1 8 ASP O O 0.924 -3.966 -1.865 1.00 . A A . 8 ASP O 1 1 18 9610 1 1 8 ASP OD1 O -2.690 -3.618 -2.813 1.00 . A A . 8 ASP OD1 1 1 18 9611 1 1 8 ASP OD2 O -2.879 -2.453 -4.644 1.00 . A A . 8 ASP OD2 1 1 18 9612 1 1 9 CYS C C -1.298 -1.443 0.285 1.00 . A A . 9 CYS C 1 1 18 9613 1 1 9 CYS CA C -0.039 -1.980 -0.354 1.00 . A A . 9 CYS CA 1 1 18 9614 1 1 9 CYS CB C 1.150 -1.119 0.007 1.00 . A A . 9 CYS CB 1 1 18 9615 1 1 9 CYS H H -0.641 -1.328 -2.253 1.00 . A A . 9 CYS H 1 1 18 9616 1 1 9 CYS HA H 0.158 -2.983 -0.009 1.00 . A A . 9 CYS HA 1 1 18 9617 1 1 9 CYS HB2 H 1.415 -1.231 1.046 1.00 . A A . 9 CYS HB2 1 1 18 9618 1 1 9 CYS HB3 H 1.934 -1.501 -0.635 1.00 . A A . 9 CYS HB3 1 1 18 9619 1 1 9 CYS N N -0.152 -2.027 -1.763 1.00 . A A . 9 CYS N 1 1 18 9620 1 1 9 CYS O O -2.066 -0.690 -0.345 1.00 . A A . 9 CYS O 1 1 18 9621 1 1 9 CYS SG S 0.955 0.660 -0.383 1.00 . A A . 9 CYS SG 1 1 18 9622 1 1 10 GLU C C -2.036 -0.582 3.472 1.00 . A A . 10 GLU C 1 1 18 9623 1 1 10 GLU CA C -2.627 -1.362 2.302 1.00 . A A . 10 GLU CA 1 1 18 9624 1 1 10 GLU CB C -3.454 -2.532 2.825 1.00 . A A . 10 GLU CB 1 1 18 9625 1 1 10 GLU CD C -4.818 -4.580 2.309 1.00 . A A . 10 GLU CD 1 1 18 9626 1 1 10 GLU CG C -4.117 -3.375 1.741 1.00 . A A . 10 GLU CG 1 1 18 9627 1 1 10 GLU H H -0.947 -2.525 1.921 1.00 . A A . 10 GLU H 1 1 18 9628 1 1 10 GLU HA H -3.244 -0.716 1.696 1.00 . A A . 10 GLU HA 1 1 18 9629 1 1 10 GLU HB2 H -2.805 -3.172 3.403 1.00 . A A . 10 GLU HB2 1 1 18 9630 1 1 10 GLU HB3 H -4.222 -2.144 3.476 1.00 . A A . 10 GLU HB3 1 1 18 9631 1 1 10 GLU HG2 H -4.841 -2.768 1.219 1.00 . A A . 10 GLU HG2 1 1 18 9632 1 1 10 GLU HG3 H -3.359 -3.707 1.047 1.00 . A A . 10 GLU HG3 1 1 18 9633 1 1 10 GLU N N -1.534 -1.851 1.504 1.00 . A A . 10 GLU N 1 1 18 9634 1 1 10 GLU O O -2.574 0.431 3.913 1.00 . A A . 10 GLU O 1 1 18 9635 1 1 10 GLU OE1 O -4.358 -5.726 2.075 1.00 . A A . 10 GLU OE1 1 1 18 9636 1 1 10 GLU OE2 O -5.816 -4.423 3.042 1.00 . A A . 10 GLU OE2 1 1 18 9637 1 1 11 LYS C C 1.312 -0.623 4.723 1.00 . A A . 11 LYS C 1 1 18 9638 1 1 11 LYS CA C -0.170 -0.492 5.033 1.00 . A A . 11 LYS CA 1 1 18 9639 1 1 11 LYS CB C -0.539 -1.192 6.346 1.00 . A A . 11 LYS CB 1 1 18 9640 1 1 11 LYS CD C -0.951 -3.360 7.548 1.00 . A A . 11 LYS CD 1 1 18 9641 1 1 11 LYS CE C -1.029 -4.868 7.392 1.00 . A A . 11 LYS CE 1 1 18 9642 1 1 11 LYS CG C -0.536 -2.709 6.251 1.00 . A A . 11 LYS CG 1 1 18 9643 1 1 11 LYS H H -0.520 -1.894 3.566 1.00 . A A . 11 LYS H 1 1 18 9644 1 1 11 LYS HA H -0.426 0.555 5.097 1.00 . A A . 11 LYS HA 1 1 18 9645 1 1 11 LYS HB2 H 0.174 -0.900 7.102 1.00 . A A . 11 LYS HB2 1 1 18 9646 1 1 11 LYS HB3 H -1.520 -0.865 6.652 1.00 . A A . 11 LYS HB3 1 1 18 9647 1 1 11 LYS HD2 H -0.228 -3.121 8.312 1.00 . A A . 11 LYS HD2 1 1 18 9648 1 1 11 LYS HD3 H -1.923 -2.985 7.836 1.00 . A A . 11 LYS HD3 1 1 18 9649 1 1 11 LYS HE2 H -1.822 -5.109 6.701 1.00 . A A . 11 LYS HE2 1 1 18 9650 1 1 11 LYS HE3 H -0.091 -5.228 6.999 1.00 . A A . 11 LYS HE3 1 1 18 9651 1 1 11 LYS HG2 H -1.224 -3.010 5.474 1.00 . A A . 11 LYS HG2 1 1 18 9652 1 1 11 LYS HG3 H 0.460 -3.036 5.991 1.00 . A A . 11 LYS HG3 1 1 18 9653 1 1 11 LYS HZ1 H -1.375 -6.563 8.556 1.00 . A A . 11 LYS HZ1 1 1 18 9654 1 1 11 LYS HZ2 H -2.177 -5.193 9.117 1.00 . A A . 11 LYS HZ2 1 1 18 9655 1 1 11 LYS HZ3 H -0.490 -5.346 9.316 1.00 . A A . 11 LYS HZ3 1 1 18 9656 1 1 11 LYS N N -0.911 -1.071 3.950 1.00 . A A . 11 LYS N 1 1 18 9657 1 1 11 LYS NZ N -1.298 -5.533 8.677 1.00 . A A . 11 LYS NZ 1 1 18 9658 1 1 11 LYS O O 1.677 -1.226 3.717 1.00 . A A . 11 LYS O 1 1 18 9659 1 1 12 ASP C C 4.207 -1.480 5.467 1.00 . A A . 12 ASP C 1 1 18 9660 1 1 12 ASP CA C 3.622 -0.103 5.303 1.00 . A A . 12 ASP CA 1 1 18 9661 1 1 12 ASP CB C 4.400 0.893 6.176 1.00 . A A . 12 ASP CB 1 1 18 9662 1 1 12 ASP CG C 3.928 2.303 6.015 1.00 . A A . 12 ASP CG 1 1 18 9663 1 1 12 ASP H H 1.835 0.278 6.423 1.00 . A A . 12 ASP H 1 1 18 9664 1 1 12 ASP HA H 3.738 0.178 4.268 1.00 . A A . 12 ASP HA 1 1 18 9665 1 1 12 ASP HB2 H 4.291 0.622 7.215 1.00 . A A . 12 ASP HB2 1 1 18 9666 1 1 12 ASP HB3 H 5.445 0.849 5.910 1.00 . A A . 12 ASP HB3 1 1 18 9667 1 1 12 ASP N N 2.167 -0.103 5.579 1.00 . A A . 12 ASP N 1 1 18 9668 1 1 12 ASP O O 5.306 -1.755 4.983 1.00 . A A . 12 ASP O 1 1 18 9669 1 1 12 ASP OD1 O 4.161 2.913 4.954 1.00 . A A . 12 ASP OD1 1 1 18 9670 1 1 12 ASP OD2 O 3.275 2.828 6.945 1.00 . A A . 12 ASP OD2 1 1 18 9671 1 1 13 GLU C C 3.916 -4.502 5.073 1.00 . A A . 13 GLU C 1 1 18 9672 1 1 13 GLU CA C 3.877 -3.743 6.361 1.00 . A A . 13 GLU CA 1 1 18 9673 1 1 13 GLU CB C 2.915 -4.462 7.266 1.00 . A A . 13 GLU CB 1 1 18 9674 1 1 13 GLU CD C 2.177 -4.762 9.651 1.00 . A A . 13 GLU CD 1 1 18 9675 1 1 13 GLU CG C 2.729 -3.809 8.623 1.00 . A A . 13 GLU CG 1 1 18 9676 1 1 13 GLU H H 2.593 -2.040 6.469 1.00 . A A . 13 GLU H 1 1 18 9677 1 1 13 GLU HA H 4.856 -3.749 6.815 1.00 . A A . 13 GLU HA 1 1 18 9678 1 1 13 GLU HB2 H 1.987 -4.482 6.708 1.00 . A A . 13 GLU HB2 1 1 18 9679 1 1 13 GLU HB3 H 3.255 -5.481 7.382 1.00 . A A . 13 GLU HB3 1 1 18 9680 1 1 13 GLU HG2 H 3.679 -3.433 8.971 1.00 . A A . 13 GLU HG2 1 1 18 9681 1 1 13 GLU HG3 H 2.040 -2.986 8.513 1.00 . A A . 13 GLU HG3 1 1 18 9682 1 1 13 GLU N N 3.456 -2.357 6.128 1.00 . A A . 13 GLU N 1 1 18 9683 1 1 13 GLU O O 4.628 -5.504 4.931 1.00 . A A . 13 GLU O 1 1 18 9684 1 1 13 GLU OE1 O 2.980 -5.486 10.277 1.00 . A A . 13 GLU OE1 1 1 18 9685 1 1 13 GLU OE2 O 0.953 -4.792 9.868 1.00 . A A . 13 GLU OE2 1 1 18 9686 1 1 14 ASP C C 4.329 -4.485 2.106 1.00 . A A . 14 ASP C 1 1 18 9687 1 1 14 ASP CA C 3.043 -4.668 2.864 1.00 . A A . 14 ASP CA 1 1 18 9688 1 1 14 ASP CB C 1.911 -4.093 2.048 1.00 . A A . 14 ASP CB 1 1 18 9689 1 1 14 ASP CG C 0.534 -4.408 2.560 1.00 . A A . 14 ASP CG 1 1 18 9690 1 1 14 ASP H H 2.599 -3.235 4.313 1.00 . A A . 14 ASP H 1 1 18 9691 1 1 14 ASP HA H 2.860 -5.720 3.016 1.00 . A A . 14 ASP HA 1 1 18 9692 1 1 14 ASP HB2 H 2.019 -3.022 1.975 1.00 . A A . 14 ASP HB2 1 1 18 9693 1 1 14 ASP HB3 H 2.022 -4.535 1.077 1.00 . A A . 14 ASP HB3 1 1 18 9694 1 1 14 ASP N N 3.133 -4.041 4.141 1.00 . A A . 14 ASP N 1 1 18 9695 1 1 14 ASP O O 4.749 -5.359 1.349 1.00 . A A . 14 ASP O 1 1 18 9696 1 1 14 ASP OD1 O -0.105 -3.529 3.136 1.00 . A A . 14 ASP OD1 1 1 18 9697 1 1 14 ASP OD2 O 0.061 -5.538 2.363 1.00 . A A . 14 ASP OD2 1 1 18 9698 1 1 15 CYS C C 7.366 -3.619 2.355 1.00 . A A . 15 CYS C 1 1 18 9699 1 1 15 CYS CA C 6.168 -3.024 1.660 1.00 . A A . 15 CYS CA 1 1 18 9700 1 1 15 CYS CB C 6.301 -1.515 1.646 1.00 . A A . 15 CYS CB 1 1 18 9701 1 1 15 CYS H H 4.633 -2.781 3.043 1.00 . A A . 15 CYS H 1 1 18 9702 1 1 15 CYS HA H 6.116 -3.373 0.640 1.00 . A A . 15 CYS HA 1 1 18 9703 1 1 15 CYS HB2 H 6.619 -1.171 2.618 1.00 . A A . 15 CYS HB2 1 1 18 9704 1 1 15 CYS HB3 H 7.059 -1.245 0.924 1.00 . A A . 15 CYS HB3 1 1 18 9705 1 1 15 CYS N N 4.968 -3.383 2.348 1.00 . A A . 15 CYS N 1 1 18 9706 1 1 15 CYS O O 7.294 -4.008 3.528 1.00 . A A . 15 CYS O 1 1 18 9707 1 1 15 CYS SG S 4.768 -0.670 1.175 1.00 . A A . 15 CYS SG 1 1 18 9708 1 1 16 CYS C C 10.252 -3.131 3.139 1.00 . A A . 16 CYS C 1 1 18 9709 1 1 16 CYS CA C 9.706 -4.161 2.142 1.00 . A A . 16 CYS CA 1 1 18 9710 1 1 16 CYS CB C 10.664 -4.373 0.987 1.00 . A A . 16 CYS CB 1 1 18 9711 1 1 16 CYS H H 8.391 -3.545 0.660 1.00 . A A . 16 CYS H 1 1 18 9712 1 1 16 CYS HA H 9.557 -5.102 2.651 1.00 . A A . 16 CYS HA 1 1 18 9713 1 1 16 CYS HB2 H 10.855 -3.420 0.525 1.00 . A A . 16 CYS HB2 1 1 18 9714 1 1 16 CYS HB3 H 11.611 -4.735 1.343 1.00 . A A . 16 CYS HB3 1 1 18 9715 1 1 16 CYS N N 8.442 -3.728 1.622 1.00 . A A . 16 CYS N 1 1 18 9716 1 1 16 CYS O O 9.658 -2.055 3.329 1.00 . A A . 16 CYS O 1 1 18 9717 1 1 16 CYS SG S 10.062 -5.568 -0.253 1.00 . A A . 16 CYS SG 1 1 18 9718 1 1 17 LYS C C 12.245 -1.239 4.406 1.00 . A A . 17 LYS C 1 1 18 9719 1 1 17 LYS CA C 11.964 -2.640 4.809 1.00 . A A . 17 LYS CA 1 1 18 9720 1 1 17 LYS CB C 13.245 -3.264 5.310 1.00 . A A . 17 LYS CB 1 1 18 9721 1 1 17 LYS CD C 14.257 -5.156 6.592 1.00 . A A . 17 LYS CD 1 1 18 9722 1 1 17 LYS CE C 14.591 -4.359 7.857 1.00 . A A . 17 LYS CE 1 1 18 9723 1 1 17 LYS CG C 13.031 -4.626 5.860 1.00 . A A . 17 LYS CG 1 1 18 9724 1 1 17 LYS H H 11.901 -4.191 3.352 1.00 . A A . 17 LYS H 1 1 18 9725 1 1 17 LYS HA H 11.256 -2.653 5.623 1.00 . A A . 17 LYS HA 1 1 18 9726 1 1 17 LYS HB2 H 13.948 -3.324 4.493 1.00 . A A . 17 LYS HB2 1 1 18 9727 1 1 17 LYS HB3 H 13.658 -2.635 6.082 1.00 . A A . 17 LYS HB3 1 1 18 9728 1 1 17 LYS HD2 H 14.079 -6.184 6.866 1.00 . A A . 17 LYS HD2 1 1 18 9729 1 1 17 LYS HD3 H 15.090 -5.098 5.910 1.00 . A A . 17 LYS HD3 1 1 18 9730 1 1 17 LYS HE2 H 15.485 -4.775 8.297 1.00 . A A . 17 LYS HE2 1 1 18 9731 1 1 17 LYS HE3 H 14.782 -3.332 7.589 1.00 . A A . 17 LYS HE3 1 1 18 9732 1 1 17 LYS HG2 H 12.184 -4.509 6.511 1.00 . A A . 17 LYS HG2 1 1 18 9733 1 1 17 LYS HG3 H 12.763 -5.282 5.045 1.00 . A A . 17 LYS HG3 1 1 18 9734 1 1 17 LYS HZ1 H 12.617 -4.000 8.503 1.00 . A A . 17 LYS HZ1 1 1 18 9735 1 1 17 LYS HZ2 H 13.762 -3.825 9.690 1.00 . A A . 17 LYS HZ2 1 1 18 9736 1 1 17 LYS HZ3 H 13.315 -5.373 9.198 1.00 . A A . 17 LYS HZ3 1 1 18 9737 1 1 17 LYS N N 11.398 -3.430 3.712 1.00 . A A . 17 LYS N 1 1 18 9738 1 1 17 LYS NZ N 13.502 -4.406 8.869 1.00 . A A . 17 LYS NZ 1 1 18 9739 1 1 17 LYS O O 11.785 -0.288 5.023 1.00 . A A . 17 LYS O 1 1 18 9740 1 1 18 HIS C C 12.307 0.978 2.155 1.00 . A A . 18 HIS C 1 1 18 9741 1 1 18 HIS CA C 13.416 0.159 2.828 1.00 . A A . 18 HIS CA 1 1 18 9742 1 1 18 HIS CB C 14.592 -0.022 1.853 1.00 . A A . 18 HIS CB 1 1 18 9743 1 1 18 HIS CD2 C 16.110 -1.805 2.982 1.00 . A A . 18 HIS CD2 1 1 18 9744 1 1 18 HIS CE1 C 17.945 -0.665 3.112 1.00 . A A . 18 HIS CE1 1 1 18 9745 1 1 18 HIS CG C 15.851 -0.579 2.465 1.00 . A A . 18 HIS CG 1 1 18 9746 1 1 18 HIS H H 13.173 -1.988 2.920 1.00 . A A . 18 HIS H 1 1 18 9747 1 1 18 HIS HA H 13.775 0.725 3.674 1.00 . A A . 18 HIS HA 1 1 18 9748 1 1 18 HIS HB2 H 14.293 -0.690 1.060 1.00 . A A . 18 HIS HB2 1 1 18 9749 1 1 18 HIS HB3 H 14.830 0.941 1.425 1.00 . A A . 18 HIS HB3 1 1 18 9750 1 1 18 HIS HD1 H 17.170 1.052 2.270 1.00 . A A . 18 HIS HD1 1 1 18 9751 1 1 18 HIS HD2 H 15.405 -2.619 3.065 1.00 . A A . 18 HIS HD2 1 1 18 9752 1 1 18 HIS HE1 H 18.966 -0.372 3.308 1.00 . A A . 18 HIS HE1 1 1 18 9753 1 1 18 HIS N N 12.953 -1.130 3.345 1.00 . A A . 18 HIS N 1 1 18 9754 1 1 18 HIS ND1 N 17.029 0.124 2.559 1.00 . A A . 18 HIS ND1 1 1 18 9755 1 1 18 HIS NE2 N 17.439 -1.858 3.393 1.00 . A A . 18 HIS NE2 1 1 18 9756 1 1 18 HIS O O 12.568 2.061 1.646 1.00 . A A . 18 HIS O 1 1 18 9757 1 1 19 LEU C C 8.846 1.529 2.453 1.00 . A A . 19 LEU C 1 1 18 9758 1 1 19 LEU CA C 10.003 1.202 1.516 1.00 . A A . 19 LEU CA 1 1 18 9759 1 1 19 LEU CB C 9.482 0.444 0.276 1.00 . A A . 19 LEU CB 1 1 18 9760 1 1 19 LEU CD1 C 11.212 -0.985 -0.884 1.00 . A A . 19 LEU CD1 1 1 18 9761 1 1 19 LEU CD2 C 9.712 0.460 -2.213 1.00 . A A . 19 LEU CD2 1 1 18 9762 1 1 19 LEU CG C 10.445 0.313 -0.913 1.00 . A A . 19 LEU CG 1 1 18 9763 1 1 19 LEU H H 10.878 -0.322 2.680 1.00 . A A . 19 LEU H 1 1 18 9764 1 1 19 LEU HA H 10.398 2.152 1.181 1.00 . A A . 19 LEU HA 1 1 18 9765 1 1 19 LEU HB2 H 9.218 -0.553 0.596 1.00 . A A . 19 LEU HB2 1 1 18 9766 1 1 19 LEU HB3 H 8.582 0.935 -0.064 1.00 . A A . 19 LEU HB3 1 1 18 9767 1 1 19 LEU HD11 H 11.794 -1.063 0.022 1.00 . A A . 19 LEU HD11 1 1 18 9768 1 1 19 LEU HD12 H 11.851 -1.011 -1.755 1.00 . A A . 19 LEU HD12 1 1 18 9769 1 1 19 LEU HD13 H 10.503 -1.796 -0.950 1.00 . A A . 19 LEU HD13 1 1 18 9770 1 1 19 LEU HD21 H 9.235 1.427 -2.261 1.00 . A A . 19 LEU HD21 1 1 18 9771 1 1 19 LEU HD22 H 8.971 -0.323 -2.293 1.00 . A A . 19 LEU HD22 1 1 18 9772 1 1 19 LEU HD23 H 10.417 0.362 -3.026 1.00 . A A . 19 LEU HD23 1 1 18 9773 1 1 19 LEU HG H 11.171 1.110 -0.852 1.00 . A A . 19 LEU HG 1 1 18 9774 1 1 19 LEU N N 11.079 0.498 2.179 1.00 . A A . 19 LEU N 1 1 18 9775 1 1 19 LEU O O 8.757 1.015 3.581 1.00 . A A . 19 LEU O 1 1 18 9776 1 1 20 GLY C C 5.618 2.774 1.740 1.00 . A A . 20 GLY C 1 1 18 9777 1 1 20 GLY CA C 6.801 2.802 2.674 1.00 . A A . 20 GLY CA 1 1 18 9778 1 1 20 GLY H H 8.093 2.707 1.046 1.00 . A A . 20 GLY H 1 1 18 9779 1 1 20 GLY HA2 H 6.625 2.145 3.514 1.00 . A A . 20 GLY HA2 1 1 18 9780 1 1 20 GLY HA3 H 6.944 3.814 3.022 1.00 . A A . 20 GLY HA3 1 1 18 9781 1 1 20 GLY N N 7.970 2.374 1.965 1.00 . A A . 20 GLY N 1 1 18 9782 1 1 20 GLY O O 5.795 2.795 0.521 1.00 . A A . 20 GLY O 1 1 18 9783 1 1 21 CYS C C 2.622 3.940 1.104 1.00 . A A . 21 CYS C 1 1 18 9784 1 1 21 CYS CA C 3.258 2.596 1.457 1.00 . A A . 21 CYS CA 1 1 18 9785 1 1 21 CYS CB C 2.254 1.692 2.185 1.00 . A A . 21 CYS CB 1 1 18 9786 1 1 21 CYS H H 4.356 2.817 3.253 1.00 . A A . 21 CYS H 1 1 18 9787 1 1 21 CYS HA H 3.544 2.100 0.542 1.00 . A A . 21 CYS HA 1 1 18 9788 1 1 21 CYS HB2 H 2.663 0.695 2.247 1.00 . A A . 21 CYS HB2 1 1 18 9789 1 1 21 CYS HB3 H 2.113 2.071 3.188 1.00 . A A . 21 CYS HB3 1 1 18 9790 1 1 21 CYS N N 4.448 2.739 2.270 1.00 . A A . 21 CYS N 1 1 18 9791 1 1 21 CYS O O 2.436 4.806 1.962 1.00 . A A . 21 CYS O 1 1 18 9792 1 1 21 CYS SG S 0.607 1.547 1.409 1.00 . A A . 21 CYS SG 1 1 18 9793 1 1 22 LYS C C 0.161 4.971 -0.715 1.00 . A A . 22 LYS C 1 1 18 9794 1 1 22 LYS CA C 1.593 5.290 -0.570 1.00 . A A . 22 LYS CA 1 1 18 9795 1 1 22 LYS CB C 2.130 5.944 -1.831 1.00 . A A . 22 LYS CB 1 1 18 9796 1 1 22 LYS CD C 2.799 8.051 -0.699 1.00 . A A . 22 LYS CD 1 1 18 9797 1 1 22 LYS CE C 3.893 9.082 -0.549 1.00 . A A . 22 LYS CE 1 1 18 9798 1 1 22 LYS CG C 3.259 6.889 -1.569 1.00 . A A . 22 LYS CG 1 1 18 9799 1 1 22 LYS H H 2.607 3.480 -0.833 1.00 . A A . 22 LYS H 1 1 18 9800 1 1 22 LYS HA H 1.672 5.994 0.243 1.00 . A A . 22 LYS HA 1 1 18 9801 1 1 22 LYS HB2 H 2.478 5.172 -2.502 1.00 . A A . 22 LYS HB2 1 1 18 9802 1 1 22 LYS HB3 H 1.329 6.490 -2.309 1.00 . A A . 22 LYS HB3 1 1 18 9803 1 1 22 LYS HD2 H 1.926 8.504 -1.144 1.00 . A A . 22 LYS HD2 1 1 18 9804 1 1 22 LYS HD3 H 2.527 7.682 0.280 1.00 . A A . 22 LYS HD3 1 1 18 9805 1 1 22 LYS HE2 H 4.753 8.613 -0.093 1.00 . A A . 22 LYS HE2 1 1 18 9806 1 1 22 LYS HE3 H 4.165 9.448 -1.528 1.00 . A A . 22 LYS HE3 1 1 18 9807 1 1 22 LYS HG2 H 3.981 6.324 -1.004 1.00 . A A . 22 LYS HG2 1 1 18 9808 1 1 22 LYS HG3 H 3.678 7.255 -2.494 1.00 . A A . 22 LYS HG3 1 1 18 9809 1 1 22 LYS HZ1 H 2.576 10.624 -0.053 1.00 . A A . 22 LYS HZ1 1 1 18 9810 1 1 22 LYS HZ2 H 4.183 10.972 0.212 1.00 . A A . 22 LYS HZ2 1 1 18 9811 1 1 22 LYS HZ3 H 3.361 9.946 1.291 1.00 . A A . 22 LYS HZ3 1 1 18 9812 1 1 22 LYS N N 2.330 4.135 -0.152 1.00 . A A . 22 LYS N 1 1 18 9813 1 1 22 LYS NZ N 3.468 10.217 0.291 1.00 . A A . 22 LYS NZ 1 1 18 9814 1 1 22 LYS O O -0.259 4.352 -1.685 1.00 . A A . 22 LYS O 1 1 18 9815 1 1 23 ARG C C -2.781 5.932 -0.779 1.00 . A A . 23 ARG C 1 1 18 9816 1 1 23 ARG CA C -2.016 5.209 0.299 1.00 . A A . 23 ARG CA 1 1 18 9817 1 1 23 ARG CB C -2.589 5.588 1.669 1.00 . A A . 23 ARG CB 1 1 18 9818 1 1 23 ARG CD C -0.734 4.866 3.294 1.00 . A A . 23 ARG CD 1 1 18 9819 1 1 23 ARG CG C -2.178 4.712 2.851 1.00 . A A . 23 ARG CG 1 1 18 9820 1 1 23 ARG CZ C 0.683 3.790 5.048 1.00 . A A . 23 ARG CZ 1 1 18 9821 1 1 23 ARG H H -0.183 6.058 0.879 1.00 . A A . 23 ARG H 1 1 18 9822 1 1 23 ARG HA H -2.160 4.155 0.149 1.00 . A A . 23 ARG HA 1 1 18 9823 1 1 23 ARG HB2 H -2.286 6.599 1.894 1.00 . A A . 23 ARG HB2 1 1 18 9824 1 1 23 ARG HB3 H -3.667 5.568 1.593 1.00 . A A . 23 ARG HB3 1 1 18 9825 1 1 23 ARG HD2 H -0.083 4.516 2.508 1.00 . A A . 23 ARG HD2 1 1 18 9826 1 1 23 ARG HD3 H -0.535 5.907 3.500 1.00 . A A . 23 ARG HD3 1 1 18 9827 1 1 23 ARG HE H -1.322 3.783 4.967 1.00 . A A . 23 ARG HE 1 1 18 9828 1 1 23 ARG HG2 H -2.798 4.950 3.698 1.00 . A A . 23 ARG HG2 1 1 18 9829 1 1 23 ARG HG3 H -2.334 3.687 2.557 1.00 . A A . 23 ARG HG3 1 1 18 9830 1 1 23 ARG HH11 H 1.832 4.640 3.576 1.00 . A A . 23 ARG HH11 1 1 18 9831 1 1 23 ARG HH12 H 2.708 3.885 4.826 1.00 . A A . 23 ARG HH12 1 1 18 9832 1 1 23 ARG HH21 H -0.065 2.817 6.695 1.00 . A A . 23 ARG HH21 1 1 18 9833 1 1 23 ARG HH22 H 1.638 2.929 6.608 1.00 . A A . 23 ARG HH22 1 1 18 9834 1 1 23 ARG N N -0.599 5.465 0.215 1.00 . A A . 23 ARG N 1 1 18 9835 1 1 23 ARG NE N -0.500 4.085 4.515 1.00 . A A . 23 ARG NE 1 1 18 9836 1 1 23 ARG NH1 N 1.803 4.137 4.448 1.00 . A A . 23 ARG NH1 1 1 18 9837 1 1 23 ARG NH2 N 0.741 3.131 6.184 1.00 . A A . 23 ARG NH2 1 1 18 9838 1 1 23 ARG O O -3.948 5.635 -1.032 1.00 . A A . 23 ARG O 1 1 18 9839 1 1 24 LYS C C -2.717 6.919 -3.767 1.00 . A A . 24 LYS C 1 1 18 9840 1 1 24 LYS CA C -2.807 7.628 -2.445 1.00 . A A . 24 LYS CA 1 1 18 9841 1 1 24 LYS CB C -2.210 9.036 -2.543 1.00 . A A . 24 LYS CB 1 1 18 9842 1 1 24 LYS CD C -3.663 10.011 -0.698 1.00 . A A . 24 LYS CD 1 1 18 9843 1 1 24 LYS CE C -3.665 10.869 0.560 1.00 . A A . 24 LYS CE 1 1 18 9844 1 1 24 LYS CG C -2.243 9.839 -1.240 1.00 . A A . 24 LYS CG 1 1 18 9845 1 1 24 LYS H H -1.157 6.919 -1.298 1.00 . A A . 24 LYS H 1 1 18 9846 1 1 24 LYS HA H -3.845 7.698 -2.159 1.00 . A A . 24 LYS HA 1 1 18 9847 1 1 24 LYS HB2 H -1.179 8.943 -2.850 1.00 . A A . 24 LYS HB2 1 1 18 9848 1 1 24 LYS HB3 H -2.749 9.589 -3.298 1.00 . A A . 24 LYS HB3 1 1 18 9849 1 1 24 LYS HD2 H -4.281 10.480 -1.449 1.00 . A A . 24 LYS HD2 1 1 18 9850 1 1 24 LYS HD3 H -4.066 9.039 -0.459 1.00 . A A . 24 LYS HD3 1 1 18 9851 1 1 24 LYS HE2 H -3.034 10.395 1.296 1.00 . A A . 24 LYS HE2 1 1 18 9852 1 1 24 LYS HE3 H -3.268 11.844 0.321 1.00 . A A . 24 LYS HE3 1 1 18 9853 1 1 24 LYS HG2 H -1.653 9.322 -0.498 1.00 . A A . 24 LYS HG2 1 1 18 9854 1 1 24 LYS HG3 H -1.814 10.814 -1.421 1.00 . A A . 24 LYS HG3 1 1 18 9855 1 1 24 LYS HZ1 H -5.673 11.475 0.479 1.00 . A A . 24 LYS HZ1 1 1 18 9856 1 1 24 LYS HZ2 H -4.975 11.586 2.012 1.00 . A A . 24 LYS HZ2 1 1 18 9857 1 1 24 LYS HZ3 H -5.408 10.096 1.403 1.00 . A A . 24 LYS HZ3 1 1 18 9858 1 1 24 LYS N N -2.127 6.839 -1.445 1.00 . A A . 24 LYS N 1 1 18 9859 1 1 24 LYS NZ N -5.014 11.022 1.141 1.00 . A A . 24 LYS NZ 1 1 18 9860 1 1 24 LYS O O -3.575 7.046 -4.630 1.00 . A A . 24 LYS O 1 1 18 9861 1 1 25 MET C C -1.594 3.943 -4.961 1.00 . A A . 25 MET C 1 1 18 9862 1 1 25 MET CA C -1.413 5.445 -5.123 1.00 . A A . 25 MET CA 1 1 18 9863 1 1 25 MET CB C -0.007 5.772 -5.604 1.00 . A A . 25 MET CB 1 1 18 9864 1 1 25 MET CE C -0.272 6.886 -8.672 1.00 . A A . 25 MET CE 1 1 18 9865 1 1 25 MET CG C 0.229 7.243 -5.938 1.00 . A A . 25 MET CG 1 1 18 9866 1 1 25 MET H H -1.082 5.996 -3.132 1.00 . A A . 25 MET H 1 1 18 9867 1 1 25 MET HA H -2.116 5.803 -5.859 1.00 . A A . 25 MET HA 1 1 18 9868 1 1 25 MET HB2 H 0.721 5.454 -4.873 1.00 . A A . 25 MET HB2 1 1 18 9869 1 1 25 MET HB3 H 0.162 5.192 -6.492 1.00 . A A . 25 MET HB3 1 1 18 9870 1 1 25 MET HE1 H -0.824 7.176 -9.553 1.00 . A A . 25 MET HE1 1 1 18 9871 1 1 25 MET HE2 H -0.440 5.839 -8.475 1.00 . A A . 25 MET HE2 1 1 18 9872 1 1 25 MET HE3 H 0.782 7.060 -8.834 1.00 . A A . 25 MET HE3 1 1 18 9873 1 1 25 MET HG2 H 0.036 7.829 -5.052 1.00 . A A . 25 MET HG2 1 1 18 9874 1 1 25 MET HG3 H 1.261 7.369 -6.231 1.00 . A A . 25 MET HG3 1 1 18 9875 1 1 25 MET N N -1.678 6.133 -3.897 1.00 . A A . 25 MET N 1 1 18 9876 1 1 25 MET O O -1.542 3.197 -5.931 1.00 . A A . 25 MET O 1 1 18 9877 1 1 25 MET SD S -0.834 7.863 -7.268 1.00 . A A . 25 MET SD 1 1 18 9878 1 1 26 LYS C C -0.771 1.254 -3.626 1.00 . A A . 26 LYS C 1 1 18 9879 1 1 26 LYS CA C -1.973 2.109 -3.324 1.00 . A A . 26 LYS CA 1 1 18 9880 1 1 26 LYS CB C -3.252 1.507 -3.902 1.00 . A A . 26 LYS CB 1 1 18 9881 1 1 26 LYS CD C -4.502 2.256 -1.887 1.00 . A A . 26 LYS CD 1 1 18 9882 1 1 26 LYS CE C -5.825 2.774 -1.319 1.00 . A A . 26 LYS CE 1 1 18 9883 1 1 26 LYS CG C -4.510 2.183 -3.402 1.00 . A A . 26 LYS CG 1 1 18 9884 1 1 26 LYS H H -1.771 4.183 -2.996 1.00 . A A . 26 LYS H 1 1 18 9885 1 1 26 LYS HA H -2.053 2.108 -2.247 1.00 . A A . 26 LYS HA 1 1 18 9886 1 1 26 LYS HB2 H -3.211 1.574 -4.978 1.00 . A A . 26 LYS HB2 1 1 18 9887 1 1 26 LYS HB3 H -3.293 0.464 -3.626 1.00 . A A . 26 LYS HB3 1 1 18 9888 1 1 26 LYS HD2 H -4.279 1.274 -1.499 1.00 . A A . 26 LYS HD2 1 1 18 9889 1 1 26 LYS HD3 H -3.694 2.926 -1.623 1.00 . A A . 26 LYS HD3 1 1 18 9890 1 1 26 LYS HE2 H -6.620 2.121 -1.643 1.00 . A A . 26 LYS HE2 1 1 18 9891 1 1 26 LYS HE3 H -5.762 2.744 -0.243 1.00 . A A . 26 LYS HE3 1 1 18 9892 1 1 26 LYS HG2 H -4.548 3.186 -3.800 1.00 . A A . 26 LYS HG2 1 1 18 9893 1 1 26 LYS HG3 H -5.371 1.619 -3.726 1.00 . A A . 26 LYS HG3 1 1 18 9894 1 1 26 LYS HZ1 H -5.402 4.827 -1.460 1.00 . A A . 26 LYS HZ1 1 1 18 9895 1 1 26 LYS HZ2 H -7.039 4.470 -1.307 1.00 . A A . 26 LYS HZ2 1 1 18 9896 1 1 26 LYS HZ3 H -6.282 4.224 -2.778 1.00 . A A . 26 LYS HZ3 1 1 18 9897 1 1 26 LYS N N -1.780 3.519 -3.715 1.00 . A A . 26 LYS N 1 1 18 9898 1 1 26 LYS NZ N -6.149 4.161 -1.749 1.00 . A A . 26 LYS NZ 1 1 18 9899 1 1 26 LYS O O -0.876 0.041 -3.787 1.00 . A A . 26 LYS O 1 1 18 9900 1 1 27 TYR C C 2.716 1.624 -3.031 1.00 . A A . 27 TYR C 1 1 18 9901 1 1 27 TYR CA C 1.584 1.125 -3.868 1.00 . A A . 27 TYR CA 1 1 18 9902 1 1 27 TYR CB C 1.997 1.046 -5.365 1.00 . A A . 27 TYR CB 1 1 18 9903 1 1 27 TYR CD1 C 1.656 2.977 -6.970 1.00 . A A . 27 TYR CD1 1 1 18 9904 1 1 27 TYR CD2 C 3.704 2.871 -5.777 1.00 . A A . 27 TYR CD2 1 1 18 9905 1 1 27 TYR CE1 C 2.102 4.120 -7.607 1.00 . A A . 27 TYR CE1 1 1 18 9906 1 1 27 TYR CE2 C 4.143 4.002 -6.394 1.00 . A A . 27 TYR CE2 1 1 18 9907 1 1 27 TYR CG C 2.451 2.331 -6.044 1.00 . A A . 27 TYR CG 1 1 18 9908 1 1 27 TYR CZ C 3.350 4.623 -7.308 1.00 . A A . 27 TYR CZ 1 1 18 9909 1 1 27 TYR H H 0.346 2.799 -3.323 1.00 . A A . 27 TYR H 1 1 18 9910 1 1 27 TYR HA H 1.382 0.122 -3.525 1.00 . A A . 27 TYR HA 1 1 18 9911 1 1 27 TYR HB2 H 2.833 0.365 -5.427 1.00 . A A . 27 TYR HB2 1 1 18 9912 1 1 27 TYR HB3 H 1.188 0.617 -5.932 1.00 . A A . 27 TYR HB3 1 1 18 9913 1 1 27 TYR HD1 H 0.678 2.579 -7.196 1.00 . A A . 27 TYR HD1 1 1 18 9914 1 1 27 TYR HD2 H 4.346 2.392 -5.052 1.00 . A A . 27 TYR HD2 1 1 18 9915 1 1 27 TYR HE1 H 1.468 4.619 -8.323 1.00 . A A . 27 TYR HE1 1 1 18 9916 1 1 27 TYR HE2 H 5.121 4.397 -6.160 1.00 . A A . 27 TYR HE2 1 1 18 9917 1 1 27 TYR HH H 4.729 5.576 -8.173 1.00 . A A . 27 TYR HH 1 1 18 9918 1 1 27 TYR N N 0.363 1.860 -3.609 1.00 . A A . 27 TYR N 1 1 18 9919 1 1 27 TYR O O 2.682 2.743 -2.515 1.00 . A A . 27 TYR O 1 1 18 9920 1 1 27 TYR OH O 3.808 5.756 -7.932 1.00 . A A . 27 TYR OH 1 1 18 9921 1 1 28 CYS C C 5.839 1.994 -2.893 1.00 . A A . 28 CYS C 1 1 18 9922 1 1 28 CYS CA C 4.865 1.111 -2.132 1.00 . A A . 28 CYS CA 1 1 18 9923 1 1 28 CYS CB C 5.548 -0.173 -1.689 1.00 . A A . 28 CYS CB 1 1 18 9924 1 1 28 CYS H H 3.620 -0.055 -3.381 1.00 . A A . 28 CYS H 1 1 18 9925 1 1 28 CYS HA H 4.539 1.640 -1.250 1.00 . A A . 28 CYS HA 1 1 18 9926 1 1 28 CYS HB2 H 5.880 -0.716 -2.562 1.00 . A A . 28 CYS HB2 1 1 18 9927 1 1 28 CYS HB3 H 6.402 0.073 -1.078 1.00 . A A . 28 CYS HB3 1 1 18 9928 1 1 28 CYS N N 3.702 0.808 -2.915 1.00 . A A . 28 CYS N 1 1 18 9929 1 1 28 CYS O O 6.048 1.833 -4.105 1.00 . A A . 28 CYS O 1 1 18 9930 1 1 28 CYS SG S 4.473 -1.276 -0.727 1.00 . A A . 28 CYS SG 1 1 18 9931 1 1 29 ALA C C 8.509 3.810 -1.651 1.00 . A A . 29 ALA C 1 1 18 9932 1 1 29 ALA CA C 7.389 3.838 -2.670 1.00 . A A . 29 ALA CA 1 1 18 9933 1 1 29 ALA CB C 6.782 5.228 -2.794 1.00 . A A . 29 ALA CB 1 1 18 9934 1 1 29 ALA H H 6.170 2.982 -1.225 1.00 . A A . 29 ALA H 1 1 18 9935 1 1 29 ALA HA H 7.749 3.495 -3.629 1.00 . A A . 29 ALA HA 1 1 18 9936 1 1 29 ALA HB1 H 7.531 5.933 -3.121 1.00 . A A . 29 ALA HB1 1 1 18 9937 1 1 29 ALA HB2 H 6.390 5.534 -1.835 1.00 . A A . 29 ALA HB2 1 1 18 9938 1 1 29 ALA HB3 H 5.979 5.189 -3.516 1.00 . A A . 29 ALA HB3 1 1 18 9939 1 1 29 ALA N N 6.402 2.920 -2.180 1.00 . A A . 29 ALA N 1 1 18 9940 1 1 29 ALA O O 8.363 3.131 -0.647 1.00 . A A . 29 ALA O 1 1 18 9941 1 1 30 TRP C C 10.415 5.003 0.476 1.00 . A A . 30 TRP C 1 1 18 9942 1 1 30 TRP CA C 10.717 4.442 -0.897 1.00 . A A . 30 TRP CA 1 1 18 9943 1 1 30 TRP CB C 12.016 5.021 -1.439 1.00 . A A . 30 TRP CB 1 1 18 9944 1 1 30 TRP CD1 C 12.579 4.532 -3.873 1.00 . A A . 30 TRP CD1 1 1 18 9945 1 1 30 TRP CD2 C 13.319 3.030 -2.427 1.00 . A A . 30 TRP CD2 1 1 18 9946 1 1 30 TRP CE2 C 13.704 2.622 -3.704 1.00 . A A . 30 TRP CE2 1 1 18 9947 1 1 30 TRP CE3 C 13.661 2.263 -1.346 1.00 . A A . 30 TRP CE3 1 1 18 9948 1 1 30 TRP CG C 12.606 4.241 -2.556 1.00 . A A . 30 TRP CG 1 1 18 9949 1 1 30 TRP CH2 C 14.757 0.708 -2.835 1.00 . A A . 30 TRP CH2 1 1 18 9950 1 1 30 TRP CZ2 C 14.428 1.457 -3.927 1.00 . A A . 30 TRP CZ2 1 1 18 9951 1 1 30 TRP CZ3 C 14.380 1.102 -1.549 1.00 . A A . 30 TRP CZ3 1 1 18 9952 1 1 30 TRP H H 9.649 5.162 -2.600 1.00 . A A . 30 TRP H 1 1 18 9953 1 1 30 TRP HA H 10.855 3.384 -0.753 1.00 . A A . 30 TRP HA 1 1 18 9954 1 1 30 TRP HB2 H 11.864 6.029 -1.779 1.00 . A A . 30 TRP HB2 1 1 18 9955 1 1 30 TRP HB3 H 12.738 5.036 -0.636 1.00 . A A . 30 TRP HB3 1 1 18 9956 1 1 30 TRP HD1 H 12.101 5.403 -4.294 1.00 . A A . 30 TRP HD1 1 1 18 9957 1 1 30 TRP HE1 H 13.366 3.522 -5.547 1.00 . A A . 30 TRP HE1 1 1 18 9958 1 1 30 TRP HE3 H 13.347 2.608 -0.372 1.00 . A A . 30 TRP HE3 1 1 18 9959 1 1 30 TRP HH2 H 15.318 -0.207 -2.949 1.00 . A A . 30 TRP HH2 1 1 18 9960 1 1 30 TRP HZ2 H 14.725 1.148 -4.919 1.00 . A A . 30 TRP HZ2 1 1 18 9961 1 1 30 TRP HZ3 H 14.658 0.484 -0.710 1.00 . A A . 30 TRP HZ3 1 1 18 9962 1 1 30 TRP N N 9.589 4.540 -1.841 1.00 . A A . 30 TRP N 1 1 18 9963 1 1 30 TRP NE1 N 13.240 3.555 -4.576 1.00 . A A . 30 TRP NE1 1 1 18 9964 1 1 30 TRP O O 11.150 4.759 1.435 1.00 . A A . 30 TRP O 1 1 18 9965 1 1 31 ASP C C 7.521 6.754 1.734 1.00 . A A . 31 ASP C 1 1 18 9966 1 1 31 ASP CA C 8.942 6.289 1.819 1.00 . A A . 31 ASP CA 1 1 18 9967 1 1 31 ASP CB C 9.863 7.438 2.213 1.00 . A A . 31 ASP CB 1 1 18 9968 1 1 31 ASP CG C 9.545 7.950 3.585 1.00 . A A . 31 ASP CG 1 1 18 9969 1 1 31 ASP H H 8.729 5.807 -0.174 1.00 . A A . 31 ASP H 1 1 18 9970 1 1 31 ASP HA H 9.005 5.522 2.576 1.00 . A A . 31 ASP HA 1 1 18 9971 1 1 31 ASP HB2 H 10.878 7.070 2.200 1.00 . A A . 31 ASP HB2 1 1 18 9972 1 1 31 ASP HB3 H 9.760 8.243 1.501 1.00 . A A . 31 ASP HB3 1 1 18 9973 1 1 31 ASP N N 9.329 5.706 0.589 1.00 . A A . 31 ASP N 1 1 18 9974 1 1 31 ASP O O 7.065 7.227 0.697 1.00 . A A . 31 ASP O 1 1 18 9975 1 1 31 ASP OD1 O 9.064 9.078 3.710 1.00 . A A . 31 ASP OD1 1 1 18 9976 1 1 31 ASP OD2 O 9.734 7.208 4.558 1.00 . A A . 31 ASP OD2 1 1 18 9977 1 1 32 PHE C C 5.252 8.484 3.079 1.00 . A A . 32 PHE C 1 1 18 9978 1 1 32 PHE CA C 5.442 6.960 2.918 1.00 . A A . 32 PHE CA 1 1 18 9979 1 1 32 PHE CB C 4.769 6.176 4.064 1.00 . A A . 32 PHE CB 1 1 18 9980 1 1 32 PHE CD1 C 6.402 5.229 5.735 1.00 . A A . 32 PHE CD1 1 1 18 9981 1 1 32 PHE CD2 C 5.253 7.234 6.304 1.00 . A A . 32 PHE CD2 1 1 18 9982 1 1 32 PHE CE1 C 7.056 5.252 6.947 1.00 . A A . 32 PHE CE1 1 1 18 9983 1 1 32 PHE CE2 C 5.908 7.261 7.520 1.00 . A A . 32 PHE CE2 1 1 18 9984 1 1 32 PHE CG C 5.491 6.220 5.395 1.00 . A A . 32 PHE CG 1 1 18 9985 1 1 32 PHE CZ C 6.809 6.270 7.842 1.00 . A A . 32 PHE CZ 1 1 18 9986 1 1 32 PHE H H 7.311 6.167 3.545 1.00 . A A . 32 PHE H 1 1 18 9987 1 1 32 PHE HA H 4.968 6.665 1.992 1.00 . A A . 32 PHE HA 1 1 18 9988 1 1 32 PHE HB2 H 3.779 6.574 4.226 1.00 . A A . 32 PHE HB2 1 1 18 9989 1 1 32 PHE HB3 H 4.679 5.140 3.769 1.00 . A A . 32 PHE HB3 1 1 18 9990 1 1 32 PHE HD1 H 6.600 4.429 5.036 1.00 . A A . 32 PHE HD1 1 1 18 9991 1 1 32 PHE HD2 H 4.549 8.016 6.055 1.00 . A A . 32 PHE HD2 1 1 18 9992 1 1 32 PHE HE1 H 7.761 4.472 7.195 1.00 . A A . 32 PHE HE1 1 1 18 9993 1 1 32 PHE HE2 H 5.716 8.061 8.221 1.00 . A A . 32 PHE HE2 1 1 18 9994 1 1 32 PHE HZ H 7.320 6.289 8.793 1.00 . A A . 32 PHE HZ 1 1 18 9995 1 1 32 PHE N N 6.833 6.584 2.800 1.00 . A A . 32 PHE N 1 1 18 9996 1 1 32 PHE O O 4.197 9.020 2.736 1.00 . A A . 32 PHE O 1 1 18 9997 1 1 33 THR C C 6.761 11.371 2.519 1.00 . A A . 33 THR C 1 1 18 9998 1 1 33 THR CA C 6.192 10.625 3.757 1.00 . A A . 33 THR CA 1 1 18 9999 1 1 33 THR CB C 6.971 11.013 5.048 1.00 . A A . 33 THR CB 1 1 18 10000 1 1 33 THR CG2 C 6.676 12.445 5.473 1.00 . A A . 33 THR CG2 1 1 18 10001 1 1 33 THR H H 7.136 8.761 3.772 1.00 . A A . 33 THR H 1 1 18 10002 1 1 33 THR HA H 5.150 10.885 3.875 1.00 . A A . 33 THR HA 1 1 18 10003 1 1 33 THR HB H 8.030 10.896 4.869 1.00 . A A . 33 THR HB 1 1 18 10004 1 1 33 THR HG1 H 7.354 9.854 6.580 1.00 . A A . 33 THR HG1 1 1 18 10005 1 1 33 THR HG21 H 6.957 13.122 4.680 1.00 . A A . 33 THR HG21 1 1 18 10006 1 1 33 THR HG22 H 7.237 12.680 6.365 1.00 . A A . 33 THR HG22 1 1 18 10007 1 1 33 THR HG23 H 5.620 12.545 5.676 1.00 . A A . 33 THR HG23 1 1 18 10008 1 1 33 THR N N 6.275 9.181 3.545 1.00 . A A . 33 THR N 1 1 18 10009 1 1 33 THR O O 6.767 12.614 2.448 1.00 . A A . 33 THR O 1 1 18 10010 1 1 33 THR OG1 O 6.559 10.141 6.115 1.00 . A A . 33 THR OG1 1 1 18 10011 1 1 34 PHE C C 6.753 12.029 -0.421 1.00 . A A . 34 PHE C 1 1 18 10012 1 1 34 PHE CA C 7.751 11.098 0.279 1.00 . A A . 34 PHE CA 1 1 18 10013 1 1 34 PHE CB C 8.121 9.905 -0.627 1.00 . A A . 34 PHE CB 1 1 18 10014 1 1 34 PHE CD1 C 9.694 10.864 -2.334 1.00 . A A . 34 PHE CD1 1 1 18 10015 1 1 34 PHE CD2 C 7.623 9.961 -3.084 1.00 . A A . 34 PHE CD2 1 1 18 10016 1 1 34 PHE CE1 C 10.027 11.177 -3.634 1.00 . A A . 34 PHE CE1 1 1 18 10017 1 1 34 PHE CE2 C 7.952 10.273 -4.383 1.00 . A A . 34 PHE CE2 1 1 18 10018 1 1 34 PHE CG C 8.490 10.255 -2.044 1.00 . A A . 34 PHE CG 1 1 18 10019 1 1 34 PHE CZ C 9.156 10.883 -4.659 1.00 . A A . 34 PHE CZ 1 1 18 10020 1 1 34 PHE H H 7.174 9.622 1.685 1.00 . A A . 34 PHE H 1 1 18 10021 1 1 34 PHE HA H 8.650 11.650 0.506 1.00 . A A . 34 PHE HA 1 1 18 10022 1 1 34 PHE HB2 H 8.968 9.391 -0.197 1.00 . A A . 34 PHE HB2 1 1 18 10023 1 1 34 PHE HB3 H 7.285 9.223 -0.658 1.00 . A A . 34 PHE HB3 1 1 18 10024 1 1 34 PHE HD1 H 10.377 11.096 -1.531 1.00 . A A . 34 PHE HD1 1 1 18 10025 1 1 34 PHE HD2 H 6.680 9.483 -2.870 1.00 . A A . 34 PHE HD2 1 1 18 10026 1 1 34 PHE HE1 H 10.971 11.654 -3.848 1.00 . A A . 34 PHE HE1 1 1 18 10027 1 1 34 PHE HE2 H 7.268 10.039 -5.185 1.00 . A A . 34 PHE HE2 1 1 18 10028 1 1 34 PHE HZ H 9.417 11.129 -5.678 1.00 . A A . 34 PHE HZ 1 1 18 10029 1 1 34 PHE N N 7.207 10.590 1.542 1.00 . A A . 34 PHE N 1 1 18 10030 1 1 34 PHE O O 5.548 11.776 -0.404 1.00 . A A . 34 PHE O 1 1 18 10031 1 1 35 THR C C 7.314 14.948 -2.559 1.00 . A A . 35 THR C 1 1 18 10032 1 1 35 THR CA C 6.423 14.049 -1.707 1.00 . A A . 35 THR CA 1 1 18 10033 1 1 35 THR CB C 5.551 14.910 -0.745 1.00 . A A . 35 THR CB 1 1 18 10034 1 1 35 THR CG2 C 6.410 15.816 0.134 1.00 . A A . 35 THR CG2 1 1 18 10035 1 1 35 THR H H 8.211 13.297 -0.932 1.00 . A A . 35 THR H 1 1 18 10036 1 1 35 THR HA H 5.776 13.483 -2.360 1.00 . A A . 35 THR HA 1 1 18 10037 1 1 35 THR HB H 4.998 14.234 -0.111 1.00 . A A . 35 THR HB 1 1 18 10038 1 1 35 THR HG1 H 4.026 16.096 -0.818 1.00 . A A . 35 THR HG1 1 1 18 10039 1 1 35 THR HG21 H 7.069 15.207 0.732 1.00 . A A . 35 THR HG21 1 1 18 10040 1 1 35 THR HG22 H 5.773 16.404 0.781 1.00 . A A . 35 THR HG22 1 1 18 10041 1 1 35 THR HG23 H 6.995 16.473 -0.491 1.00 . A A . 35 THR HG23 1 1 18 10042 1 1 35 THR N N 7.247 13.104 -0.982 1.00 . A A . 35 THR N 1 1 18 10043 1 1 35 THR O O 8.549 14.759 -2.577 1.00 . A A . 35 THR O 1 1 18 10044 1 1 35 THR OG1 O 4.617 15.715 -1.481 1.00 . A A . 35 THR OG1 1 1 19 10045 1 1 1 ASP C C 7.043 -10.107 1.307 1.00 . A A . 1 ASP C 1 1 19 10046 1 1 1 ASP CA C 7.581 -11.499 1.236 1.00 . A A . 1 ASP CA 1 1 19 10047 1 1 1 ASP CB C 7.049 -12.195 -0.023 1.00 . A A . 1 ASP CB 1 1 19 10048 1 1 1 ASP CG C 7.438 -11.499 -1.311 1.00 . A A . 1 ASP CG 1 1 19 10049 1 1 1 ASP H1 H 7.481 -13.195 2.461 1.00 . A A . 1 ASP H1 1 1 19 10050 1 1 1 ASP H2 H 6.113 -12.193 2.510 1.00 . A A . 1 ASP H2 1 1 19 10051 1 1 1 ASP H3 H 7.530 -11.722 3.273 1.00 . A A . 1 ASP H3 1 1 19 10052 1 1 1 ASP HA H 8.660 -11.467 1.210 1.00 . A A . 1 ASP HA 1 1 19 10053 1 1 1 ASP HB2 H 7.427 -13.204 -0.058 1.00 . A A . 1 ASP HB2 1 1 19 10054 1 1 1 ASP HB3 H 5.972 -12.222 0.033 1.00 . A A . 1 ASP HB3 1 1 19 10055 1 1 1 ASP N N 7.152 -12.212 2.437 1.00 . A A . 1 ASP N 1 1 19 10056 1 1 1 ASP O O 5.915 -9.906 1.751 1.00 . A A . 1 ASP O 1 1 19 10057 1 1 1 ASP OD1 O 8.568 -11.709 -1.804 1.00 . A A . 1 ASP OD1 1 1 19 10058 1 1 1 ASP OD2 O 6.619 -10.768 -1.880 1.00 . A A . 1 ASP OD2 1 1 19 10059 1 1 2 CYS C C 7.170 -7.311 -0.431 1.00 . A A . 2 CYS C 1 1 19 10060 1 1 2 CYS CA C 7.381 -7.818 0.951 1.00 . A A . 2 CYS CA 1 1 19 10061 1 1 2 CYS CB C 8.345 -6.943 1.687 1.00 . A A . 2 CYS CB 1 1 19 10062 1 1 2 CYS H H 8.740 -9.303 0.621 1.00 . A A . 2 CYS H 1 1 19 10063 1 1 2 CYS HA H 6.434 -7.778 1.469 1.00 . A A . 2 CYS HA 1 1 19 10064 1 1 2 CYS HB2 H 7.995 -5.936 1.522 1.00 . A A . 2 CYS HB2 1 1 19 10065 1 1 2 CYS HB3 H 8.308 -7.160 2.738 1.00 . A A . 2 CYS HB3 1 1 19 10066 1 1 2 CYS N N 7.824 -9.151 0.932 1.00 . A A . 2 CYS N 1 1 19 10067 1 1 2 CYS O O 7.727 -7.838 -1.412 1.00 . A A . 2 CYS O 1 1 19 10068 1 1 2 CYS SG S 10.056 -6.996 1.079 1.00 . A A . 2 CYS SG 1 1 19 10069 1 1 3 ARG C C 7.090 -4.672 -2.100 1.00 . A A . 3 ARG C 1 1 19 10070 1 1 3 ARG CA C 6.034 -5.708 -1.750 1.00 . A A . 3 ARG CA 1 1 19 10071 1 1 3 ARG CB C 4.674 -5.037 -1.620 1.00 . A A . 3 ARG CB 1 1 19 10072 1 1 3 ARG CD C 3.523 -5.954 -3.654 1.00 . A A . 3 ARG CD 1 1 19 10073 1 1 3 ARG CG C 4.012 -4.702 -2.931 1.00 . A A . 3 ARG CG 1 1 19 10074 1 1 3 ARG CZ C 1.684 -7.613 -3.311 1.00 . A A . 3 ARG CZ 1 1 19 10075 1 1 3 ARG H H 6.016 -5.966 0.337 1.00 . A A . 3 ARG H 1 1 19 10076 1 1 3 ARG HA H 5.984 -6.469 -2.513 1.00 . A A . 3 ARG HA 1 1 19 10077 1 1 3 ARG HB2 H 4.014 -5.686 -1.068 1.00 . A A . 3 ARG HB2 1 1 19 10078 1 1 3 ARG HB3 H 4.800 -4.118 -1.068 1.00 . A A . 3 ARG HB3 1 1 19 10079 1 1 3 ARG HD2 H 3.059 -5.659 -4.583 1.00 . A A . 3 ARG HD2 1 1 19 10080 1 1 3 ARG HD3 H 4.364 -6.597 -3.862 1.00 . A A . 3 ARG HD3 1 1 19 10081 1 1 3 ARG HE H 2.555 -6.504 -1.883 1.00 . A A . 3 ARG HE 1 1 19 10082 1 1 3 ARG HG2 H 3.169 -4.051 -2.746 1.00 . A A . 3 ARG HG2 1 1 19 10083 1 1 3 ARG HG3 H 4.733 -4.194 -3.554 1.00 . A A . 3 ARG HG3 1 1 19 10084 1 1 3 ARG HH11 H 2.117 -7.334 -5.292 1.00 . A A . 3 ARG HH11 1 1 19 10085 1 1 3 ARG HH12 H 0.934 -8.518 -4.978 1.00 . A A . 3 ARG HH12 1 1 19 10086 1 1 3 ARG HH21 H 0.968 -8.107 -1.470 1.00 . A A . 3 ARG HH21 1 1 19 10087 1 1 3 ARG HH22 H 0.254 -8.979 -2.759 1.00 . A A . 3 ARG HH22 1 1 19 10088 1 1 3 ARG N N 6.382 -6.314 -0.510 1.00 . A A . 3 ARG N 1 1 19 10089 1 1 3 ARG NE N 2.540 -6.699 -2.849 1.00 . A A . 3 ARG NE 1 1 19 10090 1 1 3 ARG NH1 N 1.572 -7.837 -4.615 1.00 . A A . 3 ARG NH1 1 1 19 10091 1 1 3 ARG NH2 N 0.912 -8.283 -2.459 1.00 . A A . 3 ARG NH2 1 1 19 10092 1 1 3 ARG O O 7.467 -3.834 -1.245 1.00 . A A . 3 ARG O 1 1 19 10093 1 1 4 TYR C C 7.870 -2.604 -4.372 1.00 . A A . 4 TYR C 1 1 19 10094 1 1 4 TYR CA C 8.557 -3.831 -3.788 1.00 . A A . 4 TYR CA 1 1 19 10095 1 1 4 TYR CB C 9.431 -4.503 -4.823 1.00 . A A . 4 TYR CB 1 1 19 10096 1 1 4 TYR CD1 C 10.338 -6.844 -4.987 1.00 . A A . 4 TYR CD1 1 1 19 10097 1 1 4 TYR CD2 C 11.028 -5.515 -3.128 1.00 . A A . 4 TYR CD2 1 1 19 10098 1 1 4 TYR CE1 C 11.112 -7.888 -4.529 1.00 . A A . 4 TYR CE1 1 1 19 10099 1 1 4 TYR CE2 C 11.797 -6.554 -2.669 1.00 . A A . 4 TYR CE2 1 1 19 10100 1 1 4 TYR CG C 10.280 -5.640 -4.303 1.00 . A A . 4 TYR CG 1 1 19 10101 1 1 4 TYR CZ C 11.841 -7.739 -3.373 1.00 . A A . 4 TYR CZ 1 1 19 10102 1 1 4 TYR H H 7.331 -5.427 -3.961 1.00 . A A . 4 TYR H 1 1 19 10103 1 1 4 TYR HA H 9.176 -3.527 -2.957 1.00 . A A . 4 TYR HA 1 1 19 10104 1 1 4 TYR HB2 H 8.798 -4.898 -5.602 1.00 . A A . 4 TYR HB2 1 1 19 10105 1 1 4 TYR HB3 H 10.073 -3.757 -5.244 1.00 . A A . 4 TYR HB3 1 1 19 10106 1 1 4 TYR HD1 H 9.767 -6.959 -5.897 1.00 . A A . 4 TYR HD1 1 1 19 10107 1 1 4 TYR HD2 H 11.015 -4.605 -2.542 1.00 . A A . 4 TYR HD2 1 1 19 10108 1 1 4 TYR HE1 H 11.143 -8.817 -5.078 1.00 . A A . 4 TYR HE1 1 1 19 10109 1 1 4 TYR HE2 H 12.359 -6.414 -1.759 1.00 . A A . 4 TYR HE2 1 1 19 10110 1 1 4 TYR HH H 12.354 -8.941 -1.992 1.00 . A A . 4 TYR HH 1 1 19 10111 1 1 4 TYR N N 7.595 -4.743 -3.313 1.00 . A A . 4 TYR N 1 1 19 10112 1 1 4 TYR O O 6.650 -2.432 -4.226 1.00 . A A . 4 TYR O 1 1 19 10113 1 1 4 TYR OH O 12.613 -8.787 -2.911 1.00 . A A . 4 TYR OH 1 1 19 10114 1 1 5 MET C C 7.075 -0.687 -6.612 1.00 . A A . 5 MET C 1 1 19 10115 1 1 5 MET CA C 8.117 -0.504 -5.521 1.00 . A A . 5 MET CA 1 1 19 10116 1 1 5 MET CB C 9.256 0.399 -5.995 1.00 . A A . 5 MET CB 1 1 19 10117 1 1 5 MET CE C 9.541 4.511 -6.063 1.00 . A A . 5 MET CE 1 1 19 10118 1 1 5 MET CG C 8.893 1.856 -5.978 1.00 . A A . 5 MET CG 1 1 19 10119 1 1 5 MET H H 9.541 -2.031 -5.307 1.00 . A A . 5 MET H 1 1 19 10120 1 1 5 MET HA H 7.621 -0.030 -4.686 1.00 . A A . 5 MET HA 1 1 19 10121 1 1 5 MET HB2 H 10.121 0.265 -5.364 1.00 . A A . 5 MET HB2 1 1 19 10122 1 1 5 MET HB3 H 9.525 0.126 -7.002 1.00 . A A . 5 MET HB3 1 1 19 10123 1 1 5 MET HE1 H 9.413 4.498 -4.989 1.00 . A A . 5 MET HE1 1 1 19 10124 1 1 5 MET HE2 H 8.593 4.690 -6.546 1.00 . A A . 5 MET HE2 1 1 19 10125 1 1 5 MET HE3 H 10.245 5.287 -6.319 1.00 . A A . 5 MET HE3 1 1 19 10126 1 1 5 MET HG2 H 8.020 2.013 -6.593 1.00 . A A . 5 MET HG2 1 1 19 10127 1 1 5 MET HG3 H 8.666 2.108 -4.955 1.00 . A A . 5 MET HG3 1 1 19 10128 1 1 5 MET N N 8.623 -1.778 -5.064 1.00 . A A . 5 MET N 1 1 19 10129 1 1 5 MET O O 7.186 -1.587 -7.447 1.00 . A A . 5 MET O 1 1 19 10130 1 1 5 MET SD S 10.204 2.925 -6.553 1.00 . A A . 5 MET SD 1 1 19 10131 1 1 6 PHE C C 3.941 -1.005 -7.229 1.00 . A A . 6 PHE C 1 1 19 10132 1 1 6 PHE CA C 4.880 0.159 -7.456 1.00 . A A . 6 PHE CA 1 1 19 10133 1 1 6 PHE CB C 5.281 0.307 -8.933 1.00 . A A . 6 PHE CB 1 1 19 10134 1 1 6 PHE CD1 C 7.336 1.710 -9.112 1.00 . A A . 6 PHE CD1 1 1 19 10135 1 1 6 PHE CD2 C 5.241 2.727 -9.577 1.00 . A A . 6 PHE CD2 1 1 19 10136 1 1 6 PHE CE1 C 7.975 2.898 -9.346 1.00 . A A . 6 PHE CE1 1 1 19 10137 1 1 6 PHE CE2 C 5.876 3.928 -9.820 1.00 . A A . 6 PHE CE2 1 1 19 10138 1 1 6 PHE CG C 5.968 1.606 -9.222 1.00 . A A . 6 PHE CG 1 1 19 10139 1 1 6 PHE CZ C 7.247 4.013 -9.703 1.00 . A A . 6 PHE CZ 1 1 19 10140 1 1 6 PHE H H 6.019 0.775 -5.783 1.00 . A A . 6 PHE H 1 1 19 10141 1 1 6 PHE HA H 4.322 1.038 -7.166 1.00 . A A . 6 PHE HA 1 1 19 10142 1 1 6 PHE HB2 H 5.957 -0.494 -9.192 1.00 . A A . 6 PHE HB2 1 1 19 10143 1 1 6 PHE HB3 H 4.398 0.244 -9.551 1.00 . A A . 6 PHE HB3 1 1 19 10144 1 1 6 PHE HD1 H 7.910 0.839 -8.836 1.00 . A A . 6 PHE HD1 1 1 19 10145 1 1 6 PHE HD2 H 4.167 2.655 -9.668 1.00 . A A . 6 PHE HD2 1 1 19 10146 1 1 6 PHE HE1 H 9.049 2.940 -9.240 1.00 . A A . 6 PHE HE1 1 1 19 10147 1 1 6 PHE HE2 H 5.301 4.797 -10.099 1.00 . A A . 6 PHE HE2 1 1 19 10148 1 1 6 PHE HZ H 7.749 4.952 -9.887 1.00 . A A . 6 PHE HZ 1 1 19 10149 1 1 6 PHE N N 6.029 0.137 -6.534 1.00 . A A . 6 PHE N 1 1 19 10150 1 1 6 PHE O O 2.882 -1.091 -7.848 1.00 . A A . 6 PHE O 1 1 19 10151 1 1 7 GLY C C 2.388 -2.508 -5.015 1.00 . A A . 7 GLY C 1 1 19 10152 1 1 7 GLY CA C 3.475 -2.961 -5.951 1.00 . A A . 7 GLY CA 1 1 19 10153 1 1 7 GLY H H 5.160 -1.735 -5.835 1.00 . A A . 7 GLY H 1 1 19 10154 1 1 7 GLY HA2 H 3.036 -3.373 -6.848 1.00 . A A . 7 GLY HA2 1 1 19 10155 1 1 7 GLY HA3 H 4.066 -3.718 -5.457 1.00 . A A . 7 GLY HA3 1 1 19 10156 1 1 7 GLY N N 4.308 -1.863 -6.303 1.00 . A A . 7 GLY N 1 1 19 10157 1 1 7 GLY O O 2.605 -1.585 -4.229 1.00 . A A . 7 GLY O 1 1 19 10158 1 1 8 ASP C C 0.277 -2.990 -2.840 1.00 . A A . 8 ASP C 1 1 19 10159 1 1 8 ASP CA C 0.060 -2.814 -4.309 1.00 . A A . 8 ASP CA 1 1 19 10160 1 1 8 ASP CB C -1.101 -3.662 -4.752 1.00 . A A . 8 ASP CB 1 1 19 10161 1 1 8 ASP CG C -2.376 -3.467 -3.952 1.00 . A A . 8 ASP CG 1 1 19 10162 1 1 8 ASP H H 1.200 -3.905 -5.724 1.00 . A A . 8 ASP H 1 1 19 10163 1 1 8 ASP HA H -0.189 -1.781 -4.504 1.00 . A A . 8 ASP HA 1 1 19 10164 1 1 8 ASP HB2 H -1.283 -3.332 -5.754 1.00 . A A . 8 ASP HB2 1 1 19 10165 1 1 8 ASP HB3 H -0.809 -4.701 -4.735 1.00 . A A . 8 ASP HB3 1 1 19 10166 1 1 8 ASP N N 1.251 -3.151 -5.101 1.00 . A A . 8 ASP N 1 1 19 10167 1 1 8 ASP O O 0.898 -3.958 -2.398 1.00 . A A . 8 ASP O 1 1 19 10168 1 1 8 ASP OD1 O -2.744 -4.365 -3.167 1.00 . A A . 8 ASP OD1 1 1 19 10169 1 1 8 ASP OD2 O -3.050 -2.435 -4.118 1.00 . A A . 8 ASP OD2 1 1 19 10170 1 1 9 CYS C C -1.307 -1.570 -0.001 1.00 . A A . 9 CYS C 1 1 19 10171 1 1 9 CYS CA C -0.078 -2.110 -0.687 1.00 . A A . 9 CYS CA 1 1 19 10172 1 1 9 CYS CB C 1.145 -1.299 -0.322 1.00 . A A . 9 CYS CB 1 1 19 10173 1 1 9 CYS H H -0.748 -1.347 -2.516 1.00 . A A . 9 CYS H 1 1 19 10174 1 1 9 CYS HA H 0.085 -3.132 -0.380 1.00 . A A . 9 CYS HA 1 1 19 10175 1 1 9 CYS HB2 H 1.455 -1.484 0.694 1.00 . A A . 9 CYS HB2 1 1 19 10176 1 1 9 CYS HB3 H 1.881 -1.666 -1.024 1.00 . A A . 9 CYS HB3 1 1 19 10177 1 1 9 CYS N N -0.242 -2.078 -2.094 1.00 . A A . 9 CYS N 1 1 19 10178 1 1 9 CYS O O -2.077 -0.791 -0.594 1.00 . A A . 9 CYS O 1 1 19 10179 1 1 9 CYS SG S 0.982 0.505 -0.611 1.00 . A A . 9 CYS SG 1 1 19 10180 1 1 10 GLU C C -2.057 -0.756 3.174 1.00 . A A . 10 GLU C 1 1 19 10181 1 1 10 GLU CA C -2.625 -1.548 2.015 1.00 . A A . 10 GLU CA 1 1 19 10182 1 1 10 GLU CB C -3.358 -2.761 2.546 1.00 . A A . 10 GLU CB 1 1 19 10183 1 1 10 GLU CD C -4.279 -5.007 2.001 1.00 . A A . 10 GLU CD 1 1 19 10184 1 1 10 GLU CG C -3.833 -3.693 1.460 1.00 . A A . 10 GLU CG 1 1 19 10185 1 1 10 GLU H H -0.930 -2.688 1.605 1.00 . A A . 10 GLU H 1 1 19 10186 1 1 10 GLU HA H -3.296 -0.946 1.422 1.00 . A A . 10 GLU HA 1 1 19 10187 1 1 10 GLU HB2 H -2.693 -3.310 3.198 1.00 . A A . 10 GLU HB2 1 1 19 10188 1 1 10 GLU HB3 H -4.216 -2.432 3.113 1.00 . A A . 10 GLU HB3 1 1 19 10189 1 1 10 GLU HG2 H -4.662 -3.231 0.944 1.00 . A A . 10 GLU HG2 1 1 19 10190 1 1 10 GLU HG3 H -3.025 -3.857 0.763 1.00 . A A . 10 GLU HG3 1 1 19 10191 1 1 10 GLU N N -1.523 -2.006 1.207 1.00 . A A . 10 GLU N 1 1 19 10192 1 1 10 GLU O O -2.627 0.248 3.622 1.00 . A A . 10 GLU O 1 1 19 10193 1 1 10 GLU OE1 O -5.419 -5.112 2.482 1.00 . A A . 10 GLU OE1 1 1 19 10194 1 1 10 GLU OE2 O -3.503 -5.965 1.956 1.00 . A A . 10 GLU OE2 1 1 19 10195 1 1 11 LYS C C 1.267 -0.824 4.483 1.00 . A A . 11 LYS C 1 1 19 10196 1 1 11 LYS CA C -0.211 -0.657 4.736 1.00 . A A . 11 LYS CA 1 1 19 10197 1 1 11 LYS CB C -0.643 -1.335 6.047 1.00 . A A . 11 LYS CB 1 1 19 10198 1 1 11 LYS CD C -1.321 -3.461 7.211 1.00 . A A . 11 LYS CD 1 1 19 10199 1 1 11 LYS CE C -1.872 -4.864 6.980 1.00 . A A . 11 LYS CE 1 1 19 10200 1 1 11 LYS CG C -0.823 -2.845 5.925 1.00 . A A . 11 LYS CG 1 1 19 10201 1 1 11 LYS H H -0.503 -2.025 3.243 1.00 . A A . 11 LYS H 1 1 19 10202 1 1 11 LYS HA H -0.451 0.395 4.784 1.00 . A A . 11 LYS HA 1 1 19 10203 1 1 11 LYS HB2 H 0.108 -1.142 6.798 1.00 . A A . 11 LYS HB2 1 1 19 10204 1 1 11 LYS HB3 H -1.577 -0.903 6.371 1.00 . A A . 11 LYS HB3 1 1 19 10205 1 1 11 LYS HD2 H -0.501 -3.517 7.912 1.00 . A A . 11 LYS HD2 1 1 19 10206 1 1 11 LYS HD3 H -2.103 -2.837 7.619 1.00 . A A . 11 LYS HD3 1 1 19 10207 1 1 11 LYS HE2 H -2.242 -5.243 7.920 1.00 . A A . 11 LYS HE2 1 1 19 10208 1 1 11 LYS HE3 H -2.694 -4.795 6.283 1.00 . A A . 11 LYS HE3 1 1 19 10209 1 1 11 LYS HG2 H -1.539 -3.046 5.143 1.00 . A A . 11 LYS HG2 1 1 19 10210 1 1 11 LYS HG3 H 0.126 -3.289 5.659 1.00 . A A . 11 LYS HG3 1 1 19 10211 1 1 11 LYS HZ1 H -1.330 -6.723 6.261 1.00 . A A . 11 LYS HZ1 1 1 19 10212 1 1 11 LYS HZ2 H -0.131 -6.017 7.161 1.00 . A A . 11 LYS HZ2 1 1 19 10213 1 1 11 LYS HZ3 H -0.426 -5.488 5.560 1.00 . A A . 11 LYS HZ3 1 1 19 10214 1 1 11 LYS N N -0.923 -1.227 3.643 1.00 . A A . 11 LYS N 1 1 19 10215 1 1 11 LYS NZ N -0.868 -5.810 6.449 1.00 . A A . 11 LYS NZ 1 1 19 10216 1 1 11 LYS O O 1.662 -1.602 3.610 1.00 . A A . 11 LYS O 1 1 19 10217 1 1 12 ASP C C 4.138 -1.483 5.400 1.00 . A A . 12 ASP C 1 1 19 10218 1 1 12 ASP CA C 3.548 -0.142 5.081 1.00 . A A . 12 ASP CA 1 1 19 10219 1 1 12 ASP CB C 4.218 0.925 5.947 1.00 . A A . 12 ASP CB 1 1 19 10220 1 1 12 ASP CG C 3.839 2.312 5.544 1.00 . A A . 12 ASP CG 1 1 19 10221 1 1 12 ASP H H 1.683 0.399 5.980 1.00 . A A . 12 ASP H 1 1 19 10222 1 1 12 ASP HA H 3.750 0.081 4.044 1.00 . A A . 12 ASP HA 1 1 19 10223 1 1 12 ASP HB2 H 3.929 0.781 6.976 1.00 . A A . 12 ASP HB2 1 1 19 10224 1 1 12 ASP HB3 H 5.290 0.823 5.862 1.00 . A A . 12 ASP HB3 1 1 19 10225 1 1 12 ASP N N 2.077 -0.140 5.257 1.00 . A A . 12 ASP N 1 1 19 10226 1 1 12 ASP O O 5.231 -1.822 4.950 1.00 . A A . 12 ASP O 1 1 19 10227 1 1 12 ASP OD1 O 3.002 2.939 6.234 1.00 . A A . 12 ASP OD1 1 1 19 10228 1 1 12 ASP OD2 O 4.328 2.783 4.540 1.00 . A A . 12 ASP OD2 1 1 19 10229 1 1 13 GLU C C 3.900 -4.508 5.381 1.00 . A A . 13 GLU C 1 1 19 10230 1 1 13 GLU CA C 3.745 -3.589 6.566 1.00 . A A . 13 GLU CA 1 1 19 10231 1 1 13 GLU CB C 2.633 -4.122 7.439 1.00 . A A . 13 GLU CB 1 1 19 10232 1 1 13 GLU CD C 1.747 -5.904 8.890 1.00 . A A . 13 GLU CD 1 1 19 10233 1 1 13 GLU CG C 2.916 -5.442 8.100 1.00 . A A . 13 GLU CG 1 1 19 10234 1 1 13 GLU H H 2.480 -1.912 6.345 1.00 . A A . 13 GLU H 1 1 19 10235 1 1 13 GLU HA H 4.654 -3.545 7.144 1.00 . A A . 13 GLU HA 1 1 19 10236 1 1 13 GLU HB2 H 2.386 -3.404 8.204 1.00 . A A . 13 GLU HB2 1 1 19 10237 1 1 13 GLU HB3 H 1.783 -4.258 6.784 1.00 . A A . 13 GLU HB3 1 1 19 10238 1 1 13 GLU HG2 H 3.134 -6.175 7.337 1.00 . A A . 13 GLU HG2 1 1 19 10239 1 1 13 GLU HG3 H 3.767 -5.336 8.758 1.00 . A A . 13 GLU HG3 1 1 19 10240 1 1 13 GLU N N 3.367 -2.266 6.116 1.00 . A A . 13 GLU N 1 1 19 10241 1 1 13 GLU O O 4.665 -5.478 5.408 1.00 . A A . 13 GLU O 1 1 19 10242 1 1 13 GLU OE1 O 0.845 -6.517 8.309 1.00 . A A . 13 GLU OE1 1 1 19 10243 1 1 13 GLU OE2 O 1.691 -5.633 10.103 1.00 . A A . 13 GLU OE2 1 1 19 10244 1 1 14 ASP C C 4.364 -4.751 2.331 1.00 . A A . 14 ASP C 1 1 19 10245 1 1 14 ASP CA C 3.132 -4.999 3.164 1.00 . A A . 14 ASP CA 1 1 19 10246 1 1 14 ASP CB C 1.891 -4.693 2.328 1.00 . A A . 14 ASP CB 1 1 19 10247 1 1 14 ASP CG C 0.586 -4.711 3.094 1.00 . A A . 14 ASP CG 1 1 19 10248 1 1 14 ASP H H 2.662 -3.350 4.364 1.00 . A A . 14 ASP H 1 1 19 10249 1 1 14 ASP HA H 3.104 -6.034 3.467 1.00 . A A . 14 ASP HA 1 1 19 10250 1 1 14 ASP HB2 H 1.993 -3.722 1.866 1.00 . A A . 14 ASP HB2 1 1 19 10251 1 1 14 ASP HB3 H 1.828 -5.443 1.559 1.00 . A A . 14 ASP HB3 1 1 19 10252 1 1 14 ASP N N 3.177 -4.185 4.340 1.00 . A A . 14 ASP N 1 1 19 10253 1 1 14 ASP O O 4.822 -5.628 1.609 1.00 . A A . 14 ASP O 1 1 19 10254 1 1 14 ASP OD1 O 0.400 -5.554 4.015 1.00 . A A . 14 ASP OD1 1 1 19 10255 1 1 14 ASP OD2 O -0.294 -3.902 2.758 1.00 . A A . 14 ASP OD2 1 1 19 10256 1 1 15 CYS C C 7.327 -3.562 2.479 1.00 . A A . 15 CYS C 1 1 19 10257 1 1 15 CYS CA C 6.079 -3.167 1.715 1.00 . A A . 15 CYS CA 1 1 19 10258 1 1 15 CYS CB C 6.082 -1.650 1.517 1.00 . A A . 15 CYS CB 1 1 19 10259 1 1 15 CYS H H 4.544 -2.934 3.114 1.00 . A A . 15 CYS H 1 1 19 10260 1 1 15 CYS HA H 6.067 -3.649 0.749 1.00 . A A . 15 CYS HA 1 1 19 10261 1 1 15 CYS HB2 H 6.278 -1.172 2.465 1.00 . A A . 15 CYS HB2 1 1 19 10262 1 1 15 CYS HB3 H 6.878 -1.395 0.832 1.00 . A A . 15 CYS HB3 1 1 19 10263 1 1 15 CYS N N 4.912 -3.567 2.463 1.00 . A A . 15 CYS N 1 1 19 10264 1 1 15 CYS O O 7.262 -3.892 3.678 1.00 . A A . 15 CYS O 1 1 19 10265 1 1 15 CYS SG S 4.532 -0.973 0.845 1.00 . A A . 15 CYS SG 1 1 19 10266 1 1 16 CYS C C 10.117 -2.677 3.328 1.00 . A A . 16 CYS C 1 1 19 10267 1 1 16 CYS CA C 9.717 -3.842 2.410 1.00 . A A . 16 CYS CA 1 1 19 10268 1 1 16 CYS CB C 10.747 -4.054 1.326 1.00 . A A . 16 CYS CB 1 1 19 10269 1 1 16 CYS H H 8.433 -3.441 0.824 1.00 . A A . 16 CYS H 1 1 19 10270 1 1 16 CYS HA H 9.627 -4.745 2.995 1.00 . A A . 16 CYS HA 1 1 19 10271 1 1 16 CYS HB2 H 10.999 -3.103 0.893 1.00 . A A . 16 CYS HB2 1 1 19 10272 1 1 16 CYS HB3 H 11.657 -4.441 1.744 1.00 . A A . 16 CYS HB3 1 1 19 10273 1 1 16 CYS N N 8.442 -3.573 1.795 1.00 . A A . 16 CYS N 1 1 19 10274 1 1 16 CYS O O 9.492 -1.606 3.303 1.00 . A A . 16 CYS O 1 1 19 10275 1 1 16 CYS SG S 10.227 -5.246 0.061 1.00 . A A . 16 CYS SG 1 1 19 10276 1 1 17 LYS C C 12.051 -0.617 4.535 1.00 . A A . 17 LYS C 1 1 19 10277 1 1 17 LYS CA C 11.611 -1.923 5.112 1.00 . A A . 17 LYS CA 1 1 19 10278 1 1 17 LYS CB C 12.771 -2.493 5.876 1.00 . A A . 17 LYS CB 1 1 19 10279 1 1 17 LYS CD C 11.443 -3.643 7.689 1.00 . A A . 17 LYS CD 1 1 19 10280 1 1 17 LYS CE C 11.841 -2.636 8.775 1.00 . A A . 17 LYS CE 1 1 19 10281 1 1 17 LYS CG C 12.496 -3.782 6.588 1.00 . A A . 17 LYS CG 1 1 19 10282 1 1 17 LYS H H 11.712 -3.671 3.880 1.00 . A A . 17 LYS H 1 1 19 10283 1 1 17 LYS HA H 10.800 -1.758 5.802 1.00 . A A . 17 LYS HA 1 1 19 10284 1 1 17 LYS HB2 H 13.590 -2.654 5.190 1.00 . A A . 17 LYS HB2 1 1 19 10285 1 1 17 LYS HB3 H 13.074 -1.758 6.604 1.00 . A A . 17 LYS HB3 1 1 19 10286 1 1 17 LYS HD2 H 10.511 -3.326 7.247 1.00 . A A . 17 LYS HD2 1 1 19 10287 1 1 17 LYS HD3 H 11.306 -4.613 8.142 1.00 . A A . 17 LYS HD3 1 1 19 10288 1 1 17 LYS HE2 H 11.936 -1.654 8.335 1.00 . A A . 17 LYS HE2 1 1 19 10289 1 1 17 LYS HE3 H 11.055 -2.611 9.514 1.00 . A A . 17 LYS HE3 1 1 19 10290 1 1 17 LYS HG2 H 12.149 -4.496 5.854 1.00 . A A . 17 LYS HG2 1 1 19 10291 1 1 17 LYS HG3 H 13.442 -4.098 6.992 1.00 . A A . 17 LYS HG3 1 1 19 10292 1 1 17 LYS HZ1 H 13.313 -2.325 10.219 1.00 . A A . 17 LYS HZ1 1 1 19 10293 1 1 17 LYS HZ2 H 13.921 -2.909 8.789 1.00 . A A . 17 LYS HZ2 1 1 19 10294 1 1 17 LYS HZ3 H 13.091 -3.950 9.834 1.00 . A A . 17 LYS HZ3 1 1 19 10295 1 1 17 LYS N N 11.177 -2.868 4.071 1.00 . A A . 17 LYS N 1 1 19 10296 1 1 17 LYS NZ N 13.116 -2.988 9.442 1.00 . A A . 17 LYS NZ 1 1 19 10297 1 1 17 LYS O O 11.694 0.457 5.023 1.00 . A A . 17 LYS O 1 1 19 10298 1 1 18 HIS C C 12.318 1.160 1.982 1.00 . A A . 18 HIS C 1 1 19 10299 1 1 18 HIS CA C 13.376 0.460 2.830 1.00 . A A . 18 HIS CA 1 1 19 10300 1 1 18 HIS CB C 14.606 0.110 1.984 1.00 . A A . 18 HIS CB 1 1 19 10301 1 1 18 HIS CD2 C 16.657 0.612 3.469 1.00 . A A . 18 HIS CD2 1 1 19 10302 1 1 18 HIS CE1 C 17.424 -1.391 3.731 1.00 . A A . 18 HIS CE1 1 1 19 10303 1 1 18 HIS CG C 15.828 -0.213 2.793 1.00 . A A . 18 HIS CG 1 1 19 10304 1 1 18 HIS H H 13.121 -1.632 3.298 1.00 . A A . 18 HIS H 1 1 19 10305 1 1 18 HIS HA H 13.684 1.155 3.597 1.00 . A A . 18 HIS HA 1 1 19 10306 1 1 18 HIS HB2 H 14.380 -0.750 1.370 1.00 . A A . 18 HIS HB2 1 1 19 10307 1 1 18 HIS HB3 H 14.840 0.948 1.344 1.00 . A A . 18 HIS HB3 1 1 19 10308 1 1 18 HIS HD1 H 15.971 -2.310 2.584 1.00 . A A . 18 HIS HD1 1 1 19 10309 1 1 18 HIS HD2 H 16.563 1.685 3.538 1.00 . A A . 18 HIS HD2 1 1 19 10310 1 1 18 HIS HE1 H 18.028 -2.233 4.034 1.00 . A A . 18 HIS HE1 1 1 19 10311 1 1 18 HIS N N 12.852 -0.714 3.533 1.00 . A A . 18 HIS N 1 1 19 10312 1 1 18 HIS ND1 N 16.332 -1.480 2.968 1.00 . A A . 18 HIS ND1 1 1 19 10313 1 1 18 HIS NE2 N 17.669 -0.133 4.064 1.00 . A A . 18 HIS NE2 1 1 19 10314 1 1 18 HIS O O 12.599 2.155 1.329 1.00 . A A . 18 HIS O 1 1 19 10315 1 1 19 LEU C C 8.945 1.758 2.194 1.00 . A A . 19 LEU C 1 1 19 10316 1 1 19 LEU CA C 10.038 1.257 1.274 1.00 . A A . 19 LEU CA 1 1 19 10317 1 1 19 LEU CB C 9.459 0.309 0.212 1.00 . A A . 19 LEU CB 1 1 19 10318 1 1 19 LEU CD1 C 11.226 -1.172 -0.813 1.00 . A A . 19 LEU CD1 1 1 19 10319 1 1 19 LEU CD2 C 9.492 -0.114 -2.235 1.00 . A A . 19 LEU CD2 1 1 19 10320 1 1 19 LEU CG C 10.336 0.028 -1.006 1.00 . A A . 19 LEU CG 1 1 19 10321 1 1 19 LEU H H 10.908 -0.104 2.591 1.00 . A A . 19 LEU H 1 1 19 10322 1 1 19 LEU HA H 10.441 2.126 0.773 1.00 . A A . 19 LEU HA 1 1 19 10323 1 1 19 LEU HB2 H 9.247 -0.634 0.694 1.00 . A A . 19 LEU HB2 1 1 19 10324 1 1 19 LEU HB3 H 8.524 0.727 -0.133 1.00 . A A . 19 LEU HB3 1 1 19 10325 1 1 19 LEU HD11 H 11.857 -1.272 -1.684 1.00 . A A . 19 LEU HD11 1 1 19 10326 1 1 19 LEU HD12 H 10.597 -2.045 -0.738 1.00 . A A . 19 LEU HD12 1 1 19 10327 1 1 19 LEU HD13 H 11.829 -1.052 0.075 1.00 . A A . 19 LEU HD13 1 1 19 10328 1 1 19 LEU HD21 H 10.131 -0.323 -3.080 1.00 . A A . 19 LEU HD21 1 1 19 10329 1 1 19 LEU HD22 H 8.963 0.816 -2.391 1.00 . A A . 19 LEU HD22 1 1 19 10330 1 1 19 LEU HD23 H 8.793 -0.926 -2.097 1.00 . A A . 19 LEU HD23 1 1 19 10331 1 1 19 LEU HG H 10.986 0.878 -1.155 1.00 . A A . 19 LEU HG 1 1 19 10332 1 1 19 LEU N N 11.109 0.666 2.015 1.00 . A A . 19 LEU N 1 1 19 10333 1 1 19 LEU O O 9.052 1.666 3.420 1.00 . A A . 19 LEU O 1 1 19 10334 1 1 20 GLY C C 5.622 2.773 1.392 1.00 . A A . 20 GLY C 1 1 19 10335 1 1 20 GLY CA C 6.810 2.831 2.300 1.00 . A A . 20 GLY CA 1 1 19 10336 1 1 20 GLY H H 7.962 2.448 0.621 1.00 . A A . 20 GLY H 1 1 19 10337 1 1 20 GLY HA2 H 6.635 2.224 3.177 1.00 . A A . 20 GLY HA2 1 1 19 10338 1 1 20 GLY HA3 H 6.978 3.857 2.591 1.00 . A A . 20 GLY HA3 1 1 19 10339 1 1 20 GLY N N 7.947 2.338 1.600 1.00 . A A . 20 GLY N 1 1 19 10340 1 1 20 GLY O O 5.774 2.862 0.179 1.00 . A A . 20 GLY O 1 1 19 10341 1 1 21 CYS C C 2.623 3.823 0.967 1.00 . A A . 21 CYS C 1 1 19 10342 1 1 21 CYS CA C 3.277 2.483 1.184 1.00 . A A . 21 CYS CA 1 1 19 10343 1 1 21 CYS CB C 2.325 1.537 1.942 1.00 . A A . 21 CYS CB 1 1 19 10344 1 1 21 CYS H H 4.418 2.670 2.927 1.00 . A A . 21 CYS H 1 1 19 10345 1 1 21 CYS HA H 3.513 2.034 0.231 1.00 . A A . 21 CYS HA 1 1 19 10346 1 1 21 CYS HB2 H 2.778 0.558 1.988 1.00 . A A . 21 CYS HB2 1 1 19 10347 1 1 21 CYS HB3 H 2.203 1.908 2.949 1.00 . A A . 21 CYS HB3 1 1 19 10348 1 1 21 CYS N N 4.484 2.637 1.939 1.00 . A A . 21 CYS N 1 1 19 10349 1 1 21 CYS O O 2.253 4.495 1.923 1.00 . A A . 21 CYS O 1 1 19 10350 1 1 21 CYS SG S 0.654 1.317 1.219 1.00 . A A . 21 CYS SG 1 1 19 10351 1 1 22 LYS C C 0.355 5.047 -0.512 1.00 . A A . 22 LYS C 1 1 19 10352 1 1 22 LYS CA C 1.765 5.427 -0.566 1.00 . A A . 22 LYS CA 1 1 19 10353 1 1 22 LYS CB C 2.052 6.033 -1.931 1.00 . A A . 22 LYS CB 1 1 19 10354 1 1 22 LYS CD C 3.593 7.784 -1.025 1.00 . A A . 22 LYS CD 1 1 19 10355 1 1 22 LYS CE C 4.744 8.718 -1.391 1.00 . A A . 22 LYS CE 1 1 19 10356 1 1 22 LYS CG C 3.383 6.686 -2.061 1.00 . A A . 22 LYS CG 1 1 19 10357 1 1 22 LYS H H 2.899 3.722 -1.016 1.00 . A A . 22 LYS H 1 1 19 10358 1 1 22 LYS HA H 1.967 6.152 0.209 1.00 . A A . 22 LYS HA 1 1 19 10359 1 1 22 LYS HB2 H 2.000 5.243 -2.665 1.00 . A A . 22 LYS HB2 1 1 19 10360 1 1 22 LYS HB3 H 1.286 6.760 -2.157 1.00 . A A . 22 LYS HB3 1 1 19 10361 1 1 22 LYS HD2 H 2.690 8.369 -0.950 1.00 . A A . 22 LYS HD2 1 1 19 10362 1 1 22 LYS HD3 H 3.797 7.328 -0.067 1.00 . A A . 22 LYS HD3 1 1 19 10363 1 1 22 LYS HE2 H 4.473 9.264 -2.280 1.00 . A A . 22 LYS HE2 1 1 19 10364 1 1 22 LYS HE3 H 4.887 9.417 -0.579 1.00 . A A . 22 LYS HE3 1 1 19 10365 1 1 22 LYS HG2 H 4.034 5.871 -1.815 1.00 . A A . 22 LYS HG2 1 1 19 10366 1 1 22 LYS HG3 H 3.529 7.049 -3.066 1.00 . A A . 22 LYS HG3 1 1 19 10367 1 1 22 LYS HZ1 H 6.310 7.399 -0.867 1.00 . A A . 22 LYS HZ1 1 1 19 10368 1 1 22 LYS HZ2 H 6.779 8.708 -1.802 1.00 . A A . 22 LYS HZ2 1 1 19 10369 1 1 22 LYS HZ3 H 5.943 7.457 -2.524 1.00 . A A . 22 LYS HZ3 1 1 19 10370 1 1 22 LYS N N 2.516 4.247 -0.278 1.00 . A A . 22 LYS N 1 1 19 10371 1 1 22 LYS NZ N 6.016 8.016 -1.652 1.00 . A A . 22 LYS NZ 1 1 19 10372 1 1 22 LYS O O -0.141 4.355 -1.405 1.00 . A A . 22 LYS O 1 1 19 10373 1 1 23 ARG C C -2.563 5.834 -0.250 1.00 . A A . 23 ARG C 1 1 19 10374 1 1 23 ARG CA C -1.660 5.135 0.723 1.00 . A A . 23 ARG CA 1 1 19 10375 1 1 23 ARG CB C -2.106 5.404 2.182 1.00 . A A . 23 ARG CB 1 1 19 10376 1 1 23 ARG CD C -0.046 5.803 3.615 1.00 . A A . 23 ARG CD 1 1 19 10377 1 1 23 ARG CG C -1.185 4.840 3.281 1.00 . A A . 23 ARG CG 1 1 19 10378 1 1 23 ARG CZ C 1.469 6.043 5.566 1.00 . A A . 23 ARG CZ 1 1 19 10379 1 1 23 ARG H H 0.128 6.207 1.028 1.00 . A A . 23 ARG H 1 1 19 10380 1 1 23 ARG HA H -1.714 4.078 0.525 1.00 . A A . 23 ARG HA 1 1 19 10381 1 1 23 ARG HB2 H -2.166 6.473 2.324 1.00 . A A . 23 ARG HB2 1 1 19 10382 1 1 23 ARG HB3 H -3.093 4.986 2.320 1.00 . A A . 23 ARG HB3 1 1 19 10383 1 1 23 ARG HD2 H 0.542 5.984 2.729 1.00 . A A . 23 ARG HD2 1 1 19 10384 1 1 23 ARG HD3 H -0.467 6.734 3.964 1.00 . A A . 23 ARG HD3 1 1 19 10385 1 1 23 ARG HE H 1.078 4.330 4.564 1.00 . A A . 23 ARG HE 1 1 19 10386 1 1 23 ARG HG2 H -1.757 4.650 4.176 1.00 . A A . 23 ARG HG2 1 1 19 10387 1 1 23 ARG HG3 H -0.754 3.917 2.918 1.00 . A A . 23 ARG HG3 1 1 19 10388 1 1 23 ARG HH11 H 0.541 7.807 5.064 1.00 . A A . 23 ARG HH11 1 1 19 10389 1 1 23 ARG HH12 H 1.638 7.923 6.343 1.00 . A A . 23 ARG HH12 1 1 19 10390 1 1 23 ARG HH21 H 2.616 4.527 6.309 1.00 . A A . 23 ARG HH21 1 1 19 10391 1 1 23 ARG HH22 H 2.814 6.033 7.105 1.00 . A A . 23 ARG HH22 1 1 19 10392 1 1 23 ARG N N -0.312 5.527 0.477 1.00 . A A . 23 ARG N 1 1 19 10393 1 1 23 ARG NE N 0.873 5.289 4.634 1.00 . A A . 23 ARG NE 1 1 19 10394 1 1 23 ARG NH1 N 1.192 7.335 5.663 1.00 . A A . 23 ARG NH1 1 1 19 10395 1 1 23 ARG NH2 N 2.360 5.506 6.383 1.00 . A A . 23 ARG NH2 1 1 19 10396 1 1 23 ARG O O -3.708 5.460 -0.436 1.00 . A A . 23 ARG O 1 1 19 10397 1 1 24 LYS C C -2.713 6.985 -3.208 1.00 . A A . 24 LYS C 1 1 19 10398 1 1 24 LYS CA C -2.808 7.601 -1.837 1.00 . A A . 24 LYS CA 1 1 19 10399 1 1 24 LYS CB C -2.346 9.051 -1.842 1.00 . A A . 24 LYS CB 1 1 19 10400 1 1 24 LYS CD C -2.767 11.404 -2.501 1.00 . A A . 24 LYS CD 1 1 19 10401 1 1 24 LYS CE C -3.656 12.331 -3.283 1.00 . A A . 24 LYS CE 1 1 19 10402 1 1 24 LYS CG C -3.203 9.974 -2.672 1.00 . A A . 24 LYS CG 1 1 19 10403 1 1 24 LYS H H -1.048 6.981 -0.815 1.00 . A A . 24 LYS H 1 1 19 10404 1 1 24 LYS HA H -3.837 7.554 -1.514 1.00 . A A . 24 LYS HA 1 1 19 10405 1 1 24 LYS HB2 H -2.351 9.416 -0.826 1.00 . A A . 24 LYS HB2 1 1 19 10406 1 1 24 LYS HB3 H -1.338 9.089 -2.225 1.00 . A A . 24 LYS HB3 1 1 19 10407 1 1 24 LYS HD2 H -2.815 11.664 -1.455 1.00 . A A . 24 LYS HD2 1 1 19 10408 1 1 24 LYS HD3 H -1.751 11.506 -2.853 1.00 . A A . 24 LYS HD3 1 1 19 10409 1 1 24 LYS HE2 H -3.531 12.134 -4.337 1.00 . A A . 24 LYS HE2 1 1 19 10410 1 1 24 LYS HE3 H -4.682 12.144 -3.004 1.00 . A A . 24 LYS HE3 1 1 19 10411 1 1 24 LYS HG2 H -3.115 9.696 -3.711 1.00 . A A . 24 LYS HG2 1 1 19 10412 1 1 24 LYS HG3 H -4.231 9.877 -2.356 1.00 . A A . 24 LYS HG3 1 1 19 10413 1 1 24 LYS HZ1 H -2.347 13.963 -3.255 1.00 . A A . 24 LYS HZ1 1 1 19 10414 1 1 24 LYS HZ2 H -3.508 13.985 -2.032 1.00 . A A . 24 LYS HZ2 1 1 19 10415 1 1 24 LYS HZ3 H -3.947 14.350 -3.614 1.00 . A A . 24 LYS HZ3 1 1 19 10416 1 1 24 LYS N N -2.023 6.824 -0.913 1.00 . A A . 24 LYS N 1 1 19 10417 1 1 24 LYS NZ N -3.339 13.743 -3.028 1.00 . A A . 24 LYS NZ 1 1 19 10418 1 1 24 LYS O O -3.607 7.105 -4.043 1.00 . A A . 24 LYS O 1 1 19 10419 1 1 25 MET C C -1.510 4.192 -4.661 1.00 . A A . 25 MET C 1 1 19 10420 1 1 25 MET CA C -1.367 5.700 -4.696 1.00 . A A . 25 MET CA 1 1 19 10421 1 1 25 MET CB C 0.014 6.111 -5.156 1.00 . A A . 25 MET CB 1 1 19 10422 1 1 25 MET CE C -0.435 7.207 -8.154 1.00 . A A . 25 MET CE 1 1 19 10423 1 1 25 MET CG C 0.159 7.595 -5.453 1.00 . A A . 25 MET CG 1 1 19 10424 1 1 25 MET H H -1.024 6.124 -2.668 1.00 . A A . 25 MET H 1 1 19 10425 1 1 25 MET HA H -2.090 6.097 -5.392 1.00 . A A . 25 MET HA 1 1 19 10426 1 1 25 MET HB2 H 0.733 5.833 -4.401 1.00 . A A . 25 MET HB2 1 1 19 10427 1 1 25 MET HB3 H 0.242 5.559 -6.051 1.00 . A A . 25 MET HB3 1 1 19 10428 1 1 25 MET HE1 H 0.607 7.408 -8.354 1.00 . A A . 25 MET HE1 1 1 19 10429 1 1 25 MET HE2 H -1.026 7.485 -9.013 1.00 . A A . 25 MET HE2 1 1 19 10430 1 1 25 MET HE3 H -0.572 6.155 -7.951 1.00 . A A . 25 MET HE3 1 1 19 10431 1 1 25 MET HG2 H -0.042 8.150 -4.547 1.00 . A A . 25 MET HG2 1 1 19 10432 1 1 25 MET HG3 H 1.173 7.786 -5.770 1.00 . A A . 25 MET HG3 1 1 19 10433 1 1 25 MET N N -1.642 6.277 -3.414 1.00 . A A . 25 MET N 1 1 19 10434 1 1 25 MET O O -1.428 3.527 -5.687 1.00 . A A . 25 MET O 1 1 19 10435 1 1 25 MET SD S -0.972 8.167 -6.743 1.00 . A A . 25 MET SD 1 1 19 10436 1 1 26 LYS C C -0.762 1.404 -3.570 1.00 . A A . 26 LYS C 1 1 19 10437 1 1 26 LYS CA C -1.939 2.250 -3.165 1.00 . A A . 26 LYS CA 1 1 19 10438 1 1 26 LYS CB C -3.262 1.725 -3.775 1.00 . A A . 26 LYS CB 1 1 19 10439 1 1 26 LYS CD C -4.646 3.816 -3.421 1.00 . A A . 26 LYS CD 1 1 19 10440 1 1 26 LYS CE C -5.913 4.435 -2.838 1.00 . A A . 26 LYS CE 1 1 19 10441 1 1 26 LYS CG C -4.539 2.327 -3.160 1.00 . A A . 26 LYS CG 1 1 19 10442 1 1 26 LYS H H -1.702 4.263 -2.670 1.00 . A A . 26 LYS H 1 1 19 10443 1 1 26 LYS HA H -2.010 2.181 -2.090 1.00 . A A . 26 LYS HA 1 1 19 10444 1 1 26 LYS HB2 H -3.256 1.932 -4.834 1.00 . A A . 26 LYS HB2 1 1 19 10445 1 1 26 LYS HB3 H -3.294 0.654 -3.642 1.00 . A A . 26 LYS HB3 1 1 19 10446 1 1 26 LYS HD2 H -3.756 4.259 -2.990 1.00 . A A . 26 LYS HD2 1 1 19 10447 1 1 26 LYS HD3 H -4.602 3.974 -4.487 1.00 . A A . 26 LYS HD3 1 1 19 10448 1 1 26 LYS HE2 H -5.935 5.484 -3.094 1.00 . A A . 26 LYS HE2 1 1 19 10449 1 1 26 LYS HE3 H -6.768 3.946 -3.281 1.00 . A A . 26 LYS HE3 1 1 19 10450 1 1 26 LYS HG2 H -5.412 1.831 -3.556 1.00 . A A . 26 LYS HG2 1 1 19 10451 1 1 26 LYS HG3 H -4.478 2.173 -2.092 1.00 . A A . 26 LYS HG3 1 1 19 10452 1 1 26 LYS HZ1 H -5.165 4.747 -0.901 1.00 . A A . 26 LYS HZ1 1 1 19 10453 1 1 26 LYS HZ2 H -6.039 3.322 -1.041 1.00 . A A . 26 LYS HZ2 1 1 19 10454 1 1 26 LYS HZ3 H -6.829 4.806 -1.002 1.00 . A A . 26 LYS HZ3 1 1 19 10455 1 1 26 LYS N N -1.711 3.671 -3.449 1.00 . A A . 26 LYS N 1 1 19 10456 1 1 26 LYS NZ N -5.990 4.308 -1.365 1.00 . A A . 26 LYS NZ 1 1 19 10457 1 1 26 LYS O O -0.894 0.204 -3.802 1.00 . A A . 26 LYS O 1 1 19 10458 1 1 27 TYR C C 2.788 1.652 -3.103 1.00 . A A . 27 TYR C 1 1 19 10459 1 1 27 TYR CA C 1.608 1.279 -3.944 1.00 . A A . 27 TYR CA 1 1 19 10460 1 1 27 TYR CB C 1.984 1.348 -5.443 1.00 . A A . 27 TYR CB 1 1 19 10461 1 1 27 TYR CD1 C 3.766 3.131 -5.788 1.00 . A A . 27 TYR CD1 1 1 19 10462 1 1 27 TYR CD2 C 1.628 3.491 -6.746 1.00 . A A . 27 TYR CD2 1 1 19 10463 1 1 27 TYR CE1 C 4.215 4.322 -6.304 1.00 . A A . 27 TYR CE1 1 1 19 10464 1 1 27 TYR CE2 C 2.073 4.690 -7.267 1.00 . A A . 27 TYR CE2 1 1 19 10465 1 1 27 TYR CG C 2.459 2.691 -5.995 1.00 . A A . 27 TYR CG 1 1 19 10466 1 1 27 TYR CZ C 3.363 5.098 -7.043 1.00 . A A . 27 TYR CZ 1 1 19 10467 1 1 27 TYR H H 0.388 2.950 -3.270 1.00 . A A . 27 TYR H 1 1 19 10468 1 1 27 TYR HA H 1.388 0.247 -3.708 1.00 . A A . 27 TYR HA 1 1 19 10469 1 1 27 TYR HB2 H 2.792 0.650 -5.600 1.00 . A A . 27 TYR HB2 1 1 19 10470 1 1 27 TYR HB3 H 1.139 1.004 -6.014 1.00 . A A . 27 TYR HB3 1 1 19 10471 1 1 27 TYR HD1 H 4.434 2.519 -5.200 1.00 . A A . 27 TYR HD1 1 1 19 10472 1 1 27 TYR HD2 H 0.610 3.174 -6.921 1.00 . A A . 27 TYR HD2 1 1 19 10473 1 1 27 TYR HE1 H 5.233 4.641 -6.130 1.00 . A A . 27 TYR HE1 1 1 19 10474 1 1 27 TYR HE2 H 1.405 5.306 -7.848 1.00 . A A . 27 TYR HE2 1 1 19 10475 1 1 27 TYR HH H 3.204 7.004 -7.267 1.00 . A A . 27 TYR HH 1 1 19 10476 1 1 27 TYR N N 0.398 2.016 -3.581 1.00 . A A . 27 TYR N 1 1 19 10477 1 1 27 TYR O O 2.847 2.745 -2.529 1.00 . A A . 27 TYR O 1 1 19 10478 1 1 27 TYR OH O 3.802 6.300 -7.558 1.00 . A A . 27 TYR OH 1 1 19 10479 1 1 28 CYS C C 5.912 1.837 -3.078 1.00 . A A . 28 CYS C 1 1 19 10480 1 1 28 CYS CA C 4.935 0.963 -2.308 1.00 . A A . 28 CYS CA 1 1 19 10481 1 1 28 CYS CB C 5.593 -0.381 -1.962 1.00 . A A . 28 CYS CB 1 1 19 10482 1 1 28 CYS H H 3.599 -0.049 -3.604 1.00 . A A . 28 CYS H 1 1 19 10483 1 1 28 CYS HA H 4.668 1.466 -1.392 1.00 . A A . 28 CYS HA 1 1 19 10484 1 1 28 CYS HB2 H 5.941 -0.857 -2.866 1.00 . A A . 28 CYS HB2 1 1 19 10485 1 1 28 CYS HB3 H 6.444 -0.191 -1.325 1.00 . A A . 28 CYS HB3 1 1 19 10486 1 1 28 CYS N N 3.737 0.769 -3.074 1.00 . A A . 28 CYS N 1 1 19 10487 1 1 28 CYS O O 6.153 1.632 -4.267 1.00 . A A . 28 CYS O 1 1 19 10488 1 1 28 CYS SG S 4.508 -1.566 -1.097 1.00 . A A . 28 CYS SG 1 1 19 10489 1 1 29 ALA C C 8.582 3.624 -1.963 1.00 . A A . 29 ALA C 1 1 19 10490 1 1 29 ALA CA C 7.422 3.699 -2.930 1.00 . A A . 29 ALA CA 1 1 19 10491 1 1 29 ALA CB C 6.863 5.097 -3.024 1.00 . A A . 29 ALA CB 1 1 19 10492 1 1 29 ALA H H 6.145 2.933 -1.475 1.00 . A A . 29 ALA H 1 1 19 10493 1 1 29 ALA HA H 7.721 3.350 -3.906 1.00 . A A . 29 ALA HA 1 1 19 10494 1 1 29 ALA HB1 H 6.565 5.438 -2.043 1.00 . A A . 29 ALA HB1 1 1 19 10495 1 1 29 ALA HB2 H 6.001 5.089 -3.675 1.00 . A A . 29 ALA HB2 1 1 19 10496 1 1 29 ALA HB3 H 7.612 5.759 -3.429 1.00 . A A . 29 ALA HB3 1 1 19 10497 1 1 29 ALA N N 6.427 2.812 -2.413 1.00 . A A . 29 ALA N 1 1 19 10498 1 1 29 ALA O O 8.503 2.853 -1.037 1.00 . A A . 29 ALA O 1 1 19 10499 1 1 30 TRP C C 10.524 4.892 0.179 1.00 . A A . 30 TRP C 1 1 19 10500 1 1 30 TRP CA C 10.773 4.293 -1.200 1.00 . A A . 30 TRP CA 1 1 19 10501 1 1 30 TRP CB C 12.061 4.822 -1.815 1.00 . A A . 30 TRP CB 1 1 19 10502 1 1 30 TRP CD1 C 12.483 4.285 -4.264 1.00 . A A . 30 TRP CD1 1 1 19 10503 1 1 30 TRP CD2 C 13.105 2.710 -2.849 1.00 . A A . 30 TRP CD2 1 1 19 10504 1 1 30 TRP CE2 C 13.392 2.266 -4.137 1.00 . A A . 30 TRP CE2 1 1 19 10505 1 1 30 TRP CE3 C 13.398 1.914 -1.784 1.00 . A A . 30 TRP CE3 1 1 19 10506 1 1 30 TRP CG C 12.534 3.992 -2.952 1.00 . A A . 30 TRP CG 1 1 19 10507 1 1 30 TRP CH2 C 14.254 0.245 -3.301 1.00 . A A . 30 TRP CH2 1 1 19 10508 1 1 30 TRP CZ2 C 13.969 1.027 -4.384 1.00 . A A . 30 TRP CZ2 1 1 19 10509 1 1 30 TRP CZ3 C 13.972 0.680 -2.003 1.00 . A A . 30 TRP CZ3 1 1 19 10510 1 1 30 TRP H H 9.627 5.119 -2.798 1.00 . A A . 30 TRP H 1 1 19 10511 1 1 30 TRP HA H 10.883 3.228 -1.060 1.00 . A A . 30 TRP HA 1 1 19 10512 1 1 30 TRP HB2 H 11.910 5.824 -2.173 1.00 . A A . 30 TRP HB2 1 1 19 10513 1 1 30 TRP HB3 H 12.837 4.828 -1.063 1.00 . A A . 30 TRP HB3 1 1 19 10514 1 1 30 TRP HD1 H 12.085 5.206 -4.657 1.00 . A A . 30 TRP HD1 1 1 19 10515 1 1 30 TRP HE1 H 13.075 3.215 -5.968 1.00 . A A . 30 TRP HE1 1 1 19 10516 1 1 30 TRP HE3 H 13.151 2.306 -0.808 1.00 . A A . 30 TRP HE3 1 1 19 10517 1 1 30 TRP HH2 H 14.703 -0.728 -3.435 1.00 . A A . 30 TRP HH2 1 1 19 10518 1 1 30 TRP HZ2 H 14.187 0.687 -5.385 1.00 . A A . 30 TRP HZ2 1 1 19 10519 1 1 30 TRP HZ3 H 14.208 0.038 -1.168 1.00 . A A . 30 TRP HZ3 1 1 19 10520 1 1 30 TRP N N 9.617 4.422 -2.107 1.00 . A A . 30 TRP N 1 1 19 10521 1 1 30 TRP NE1 N 13.002 3.248 -4.991 1.00 . A A . 30 TRP NE1 1 1 19 10522 1 1 30 TRP O O 11.357 4.783 1.082 1.00 . A A . 30 TRP O 1 1 19 10523 1 1 31 ASP C C 7.467 6.332 1.399 1.00 . A A . 31 ASP C 1 1 19 10524 1 1 31 ASP CA C 8.931 6.053 1.561 1.00 . A A . 31 ASP CA 1 1 19 10525 1 1 31 ASP CB C 9.713 7.337 1.919 1.00 . A A . 31 ASP CB 1 1 19 10526 1 1 31 ASP CG C 9.446 8.499 0.998 1.00 . A A . 31 ASP CG 1 1 19 10527 1 1 31 ASP H H 8.695 5.461 -0.365 1.00 . A A . 31 ASP H 1 1 19 10528 1 1 31 ASP HA H 9.048 5.318 2.343 1.00 . A A . 31 ASP HA 1 1 19 10529 1 1 31 ASP HB2 H 9.461 7.633 2.925 1.00 . A A . 31 ASP HB2 1 1 19 10530 1 1 31 ASP HB3 H 10.764 7.089 1.875 1.00 . A A . 31 ASP HB3 1 1 19 10531 1 1 31 ASP N N 9.362 5.457 0.350 1.00 . A A . 31 ASP N 1 1 19 10532 1 1 31 ASP O O 6.944 6.320 0.275 1.00 . A A . 31 ASP O 1 1 19 10533 1 1 31 ASP OD1 O 8.550 9.316 1.299 1.00 . A A . 31 ASP OD1 1 1 19 10534 1 1 31 ASP OD2 O 10.122 8.622 -0.054 1.00 . A A . 31 ASP OD2 1 1 19 10535 1 1 32 PHE C C 4.911 8.154 2.676 1.00 . A A . 32 PHE C 1 1 19 10536 1 1 32 PHE CA C 5.376 6.708 2.523 1.00 . A A . 32 PHE CA 1 1 19 10537 1 1 32 PHE CB C 4.804 5.856 3.662 1.00 . A A . 32 PHE CB 1 1 19 10538 1 1 32 PHE CD1 C 6.322 5.029 5.495 1.00 . A A . 32 PHE CD1 1 1 19 10539 1 1 32 PHE CD2 C 5.338 7.183 5.757 1.00 . A A . 32 PHE CD2 1 1 19 10540 1 1 32 PHE CE1 C 6.956 5.168 6.707 1.00 . A A . 32 PHE CE1 1 1 19 10541 1 1 32 PHE CE2 C 5.976 7.326 6.971 1.00 . A A . 32 PHE CE2 1 1 19 10542 1 1 32 PHE CG C 5.503 6.031 5.000 1.00 . A A . 32 PHE CG 1 1 19 10543 1 1 32 PHE CZ C 6.784 6.316 7.446 1.00 . A A . 32 PHE CZ 1 1 19 10544 1 1 32 PHE H H 7.380 6.609 3.275 1.00 . A A . 32 PHE H 1 1 19 10545 1 1 32 PHE HA H 4.977 6.317 1.599 1.00 . A A . 32 PHE HA 1 1 19 10546 1 1 32 PHE HB2 H 3.765 6.115 3.803 1.00 . A A . 32 PHE HB2 1 1 19 10547 1 1 32 PHE HB3 H 4.869 4.814 3.385 1.00 . A A . 32 PHE HB3 1 1 19 10548 1 1 32 PHE HD1 H 6.460 4.126 4.918 1.00 . A A . 32 PHE HD1 1 1 19 10549 1 1 32 PHE HD2 H 4.708 7.979 5.385 1.00 . A A . 32 PHE HD2 1 1 19 10550 1 1 32 PHE HE1 H 7.591 4.376 7.078 1.00 . A A . 32 PHE HE1 1 1 19 10551 1 1 32 PHE HE2 H 5.841 8.227 7.552 1.00 . A A . 32 PHE HE2 1 1 19 10552 1 1 32 PHE HZ H 7.283 6.422 8.397 1.00 . A A . 32 PHE HZ 1 1 19 10553 1 1 32 PHE N N 6.828 6.554 2.472 1.00 . A A . 32 PHE N 1 1 19 10554 1 1 32 PHE O O 3.718 8.406 2.794 1.00 . A A . 32 PHE O 1 1 19 10555 1 1 33 THR C C 4.962 11.115 1.593 1.00 . A A . 33 THR C 1 1 19 10556 1 1 33 THR CA C 5.448 10.456 2.893 1.00 . A A . 33 THR CA 1 1 19 10557 1 1 33 THR CB C 6.655 11.193 3.489 1.00 . A A . 33 THR CB 1 1 19 10558 1 1 33 THR CG2 C 6.269 12.575 3.980 1.00 . A A . 33 THR CG2 1 1 19 10559 1 1 33 THR H H 6.752 8.891 2.439 1.00 . A A . 33 THR H 1 1 19 10560 1 1 33 THR HA H 4.647 10.455 3.616 1.00 . A A . 33 THR HA 1 1 19 10561 1 1 33 THR HB H 7.430 11.267 2.741 1.00 . A A . 33 THR HB 1 1 19 10562 1 1 33 THR HG1 H 6.368 10.285 5.186 1.00 . A A . 33 THR HG1 1 1 19 10563 1 1 33 THR HG21 H 5.879 13.153 3.156 1.00 . A A . 33 THR HG21 1 1 19 10564 1 1 33 THR HG22 H 7.138 13.066 4.395 1.00 . A A . 33 THR HG22 1 1 19 10565 1 1 33 THR HG23 H 5.512 12.473 4.743 1.00 . A A . 33 THR HG23 1 1 19 10566 1 1 33 THR N N 5.813 9.084 2.651 1.00 . A A . 33 THR N 1 1 19 10567 1 1 33 THR O O 5.599 10.945 0.551 1.00 . A A . 33 THR O 1 1 19 10568 1 1 33 THR OG1 O 7.131 10.422 4.609 1.00 . A A . 33 THR OG1 1 1 19 10569 1 1 34 PHE C C 4.206 13.344 -0.262 1.00 . A A . 34 PHE C 1 1 19 10570 1 1 34 PHE CA C 3.199 12.469 0.464 1.00 . A A . 34 PHE CA 1 1 19 10571 1 1 34 PHE CB C 1.989 13.352 0.836 1.00 . A A . 34 PHE CB 1 1 19 10572 1 1 34 PHE CD1 C 0.104 11.693 0.779 1.00 . A A . 34 PHE CD1 1 1 19 10573 1 1 34 PHE CD2 C 0.409 12.995 2.743 1.00 . A A . 34 PHE CD2 1 1 19 10574 1 1 34 PHE CE1 C -0.992 11.082 1.354 1.00 . A A . 34 PHE CE1 1 1 19 10575 1 1 34 PHE CE2 C -0.683 12.387 3.323 1.00 . A A . 34 PHE CE2 1 1 19 10576 1 1 34 PHE CG C 0.818 12.654 1.469 1.00 . A A . 34 PHE CG 1 1 19 10577 1 1 34 PHE CZ C -1.385 11.428 2.628 1.00 . A A . 34 PHE CZ 1 1 19 10578 1 1 34 PHE H H 3.354 11.900 2.521 1.00 . A A . 34 PHE H 1 1 19 10579 1 1 34 PHE HA H 2.868 11.690 -0.205 1.00 . A A . 34 PHE HA 1 1 19 10580 1 1 34 PHE HB2 H 2.317 14.113 1.527 1.00 . A A . 34 PHE HB2 1 1 19 10581 1 1 34 PHE HB3 H 1.639 13.840 -0.063 1.00 . A A . 34 PHE HB3 1 1 19 10582 1 1 34 PHE HD1 H 0.414 11.420 -0.217 1.00 . A A . 34 PHE HD1 1 1 19 10583 1 1 34 PHE HD2 H 0.958 13.745 3.290 1.00 . A A . 34 PHE HD2 1 1 19 10584 1 1 34 PHE HE1 H -1.544 10.332 0.807 1.00 . A A . 34 PHE HE1 1 1 19 10585 1 1 34 PHE HE2 H -0.986 12.663 4.323 1.00 . A A . 34 PHE HE2 1 1 19 10586 1 1 34 PHE HZ H -2.242 10.951 3.079 1.00 . A A . 34 PHE HZ 1 1 19 10587 1 1 34 PHE N N 3.808 11.821 1.652 1.00 . A A . 34 PHE N 1 1 19 10588 1 1 34 PHE O O 4.419 13.214 -1.483 1.00 . A A . 34 PHE O 1 1 19 10589 1 1 35 THR C C 7.172 14.776 0.440 1.00 . A A . 35 THR C 1 1 19 10590 1 1 35 THR CA C 5.778 15.145 -0.069 1.00 . A A . 35 THR CA 1 1 19 10591 1 1 35 THR CB C 5.435 16.584 0.332 1.00 . A A . 35 THR CB 1 1 19 10592 1 1 35 THR CG2 C 6.325 17.582 -0.401 1.00 . A A . 35 THR CG2 1 1 19 10593 1 1 35 THR H H 4.566 14.306 1.425 1.00 . A A . 35 THR H 1 1 19 10594 1 1 35 THR HA H 5.754 15.069 -1.146 1.00 . A A . 35 THR HA 1 1 19 10595 1 1 35 THR HB H 5.571 16.692 1.397 1.00 . A A . 35 THR HB 1 1 19 10596 1 1 35 THR HG1 H 3.856 16.397 -0.845 1.00 . A A . 35 THR HG1 1 1 19 10597 1 1 35 THR HG21 H 7.359 17.388 -0.156 1.00 . A A . 35 THR HG21 1 1 19 10598 1 1 35 THR HG22 H 6.066 18.586 -0.099 1.00 . A A . 35 THR HG22 1 1 19 10599 1 1 35 THR HG23 H 6.181 17.478 -1.466 1.00 . A A . 35 THR HG23 1 1 19 10600 1 1 35 THR N N 4.798 14.243 0.472 1.00 . A A . 35 THR N 1 1 19 10601 1 1 35 THR O O 7.446 13.593 0.716 1.00 . A A . 35 THR O 1 1 19 10602 1 1 35 THR OG1 O 4.058 16.841 -0.011 1.00 . A A . 35 THR OG1 1 1 20 10603 1 1 1 ASP C C 6.720 -10.203 0.566 1.00 . A A . 1 ASP C 1 1 20 10604 1 1 1 ASP CA C 7.316 -11.600 0.540 1.00 . A A . 1 ASP CA 1 1 20 10605 1 1 1 ASP CB C 7.769 -11.961 -0.891 1.00 . A A . 1 ASP CB 1 1 20 10606 1 1 1 ASP CG C 6.687 -11.773 -1.942 1.00 . A A . 1 ASP CG 1 1 20 10607 1 1 1 ASP H1 H 5.471 -12.497 0.409 1.00 . A A . 1 ASP H1 1 1 20 10608 1 1 1 ASP H2 H 5.989 -12.290 1.974 1.00 . A A . 1 ASP H2 1 1 20 10609 1 1 1 ASP H3 H 6.644 -13.534 1.030 1.00 . A A . 1 ASP H3 1 1 20 10610 1 1 1 ASP HA H 8.160 -11.628 1.213 1.00 . A A . 1 ASP HA 1 1 20 10611 1 1 1 ASP HB2 H 8.610 -11.341 -1.161 1.00 . A A . 1 ASP HB2 1 1 20 10612 1 1 1 ASP HB3 H 8.082 -12.994 -0.905 1.00 . A A . 1 ASP HB3 1 1 20 10613 1 1 1 ASP N N 6.310 -12.550 1.021 1.00 . A A . 1 ASP N 1 1 20 10614 1 1 1 ASP O O 5.493 -10.050 0.549 1.00 . A A . 1 ASP O 1 1 20 10615 1 1 1 ASP OD1 O 6.932 -11.085 -2.952 1.00 . A A . 1 ASP OD1 1 1 20 10616 1 1 1 ASP OD2 O 5.559 -12.297 -1.773 1.00 . A A . 1 ASP OD2 1 1 20 10617 1 1 2 CYS C C 6.963 -7.265 -0.715 1.00 . A A . 2 CYS C 1 1 20 10618 1 1 2 CYS CA C 7.091 -7.833 0.661 1.00 . A A . 2 CYS CA 1 1 20 10619 1 1 2 CYS CB C 8.014 -6.979 1.485 1.00 . A A . 2 CYS CB 1 1 20 10620 1 1 2 CYS H H 8.529 -9.324 0.626 1.00 . A A . 2 CYS H 1 1 20 10621 1 1 2 CYS HA H 6.113 -7.791 1.113 1.00 . A A . 2 CYS HA 1 1 20 10622 1 1 2 CYS HB2 H 7.712 -5.956 1.321 1.00 . A A . 2 CYS HB2 1 1 20 10623 1 1 2 CYS HB3 H 7.892 -7.218 2.525 1.00 . A A . 2 CYS HB3 1 1 20 10624 1 1 2 CYS N N 7.557 -9.192 0.624 1.00 . A A . 2 CYS N 1 1 20 10625 1 1 2 CYS O O 7.490 -7.814 -1.699 1.00 . A A . 2 CYS O 1 1 20 10626 1 1 2 CYS SG S 9.766 -7.093 1.019 1.00 . A A . 2 CYS SG 1 1 20 10627 1 1 3 ARG C C 7.089 -4.472 -2.208 1.00 . A A . 3 ARG C 1 1 20 10628 1 1 3 ARG CA C 6.043 -5.529 -2.034 1.00 . A A . 3 ARG CA 1 1 20 10629 1 1 3 ARG CB C 4.647 -4.900 -2.058 1.00 . A A . 3 ARG CB 1 1 20 10630 1 1 3 ARG CD C 3.584 -7.142 -2.441 1.00 . A A . 3 ARG CD 1 1 20 10631 1 1 3 ARG CG C 3.548 -5.859 -1.639 1.00 . A A . 3 ARG CG 1 1 20 10632 1 1 3 ARG CZ C 2.935 -9.436 -1.794 1.00 . A A . 3 ARG CZ 1 1 20 10633 1 1 3 ARG H H 5.884 -5.831 0.039 1.00 . A A . 3 ARG H 1 1 20 10634 1 1 3 ARG HA H 6.124 -6.243 -2.839 1.00 . A A . 3 ARG HA 1 1 20 10635 1 1 3 ARG HB2 H 4.637 -4.063 -1.375 1.00 . A A . 3 ARG HB2 1 1 20 10636 1 1 3 ARG HB3 H 4.432 -4.549 -3.056 1.00 . A A . 3 ARG HB3 1 1 20 10637 1 1 3 ARG HD2 H 3.321 -6.933 -3.465 1.00 . A A . 3 ARG HD2 1 1 20 10638 1 1 3 ARG HD3 H 4.585 -7.545 -2.399 1.00 . A A . 3 ARG HD3 1 1 20 10639 1 1 3 ARG HE H 1.819 -7.740 -1.573 1.00 . A A . 3 ARG HE 1 1 20 10640 1 1 3 ARG HG2 H 3.676 -6.098 -0.593 1.00 . A A . 3 ARG HG2 1 1 20 10641 1 1 3 ARG HG3 H 2.592 -5.376 -1.782 1.00 . A A . 3 ARG HG3 1 1 20 10642 1 1 3 ARG HH11 H 4.703 -9.344 -2.822 1.00 . A A . 3 ARG HH11 1 1 20 10643 1 1 3 ARG HH12 H 4.343 -10.888 -2.234 1.00 . A A . 3 ARG HH12 1 1 20 10644 1 1 3 ARG HH21 H 1.245 -9.893 -0.750 1.00 . A A . 3 ARG HH21 1 1 20 10645 1 1 3 ARG HH22 H 2.242 -11.232 -1.086 1.00 . A A . 3 ARG HH22 1 1 20 10646 1 1 3 ARG N N 6.269 -6.195 -0.795 1.00 . A A . 3 ARG N 1 1 20 10647 1 1 3 ARG NE N 2.664 -8.131 -1.904 1.00 . A A . 3 ARG NE 1 1 20 10648 1 1 3 ARG NH1 N 4.057 -9.927 -2.326 1.00 . A A . 3 ARG NH1 1 1 20 10649 1 1 3 ARG NH2 N 2.091 -10.242 -1.164 1.00 . A A . 3 ARG NH2 1 1 20 10650 1 1 3 ARG O O 7.402 -3.728 -1.260 1.00 . A A . 3 ARG O 1 1 20 10651 1 1 4 TYR C C 7.920 -2.227 -4.205 1.00 . A A . 4 TYR C 1 1 20 10652 1 1 4 TYR CA C 8.620 -3.465 -3.705 1.00 . A A . 4 TYR CA 1 1 20 10653 1 1 4 TYR CB C 9.568 -3.997 -4.747 1.00 . A A . 4 TYR CB 1 1 20 10654 1 1 4 TYR CD1 C 10.444 -6.361 -4.803 1.00 . A A . 4 TYR CD1 1 1 20 10655 1 1 4 TYR CD2 C 11.399 -4.840 -3.238 1.00 . A A . 4 TYR CD2 1 1 20 10656 1 1 4 TYR CE1 C 11.296 -7.351 -4.358 1.00 . A A . 4 TYR CE1 1 1 20 10657 1 1 4 TYR CE2 C 12.242 -5.820 -2.789 1.00 . A A . 4 TYR CE2 1 1 20 10658 1 1 4 TYR CG C 10.484 -5.089 -4.255 1.00 . A A . 4 TYR CG 1 1 20 10659 1 1 4 TYR CZ C 12.193 -7.072 -3.350 1.00 . A A . 4 TYR CZ 1 1 20 10660 1 1 4 TYR H H 7.477 -5.078 -4.088 1.00 . A A . 4 TYR H 1 1 20 10661 1 1 4 TYR HA H 9.181 -3.232 -2.814 1.00 . A A . 4 TYR HA 1 1 20 10662 1 1 4 TYR HB2 H 8.995 -4.346 -5.590 1.00 . A A . 4 TYR HB2 1 1 20 10663 1 1 4 TYR HB3 H 10.166 -3.176 -5.089 1.00 . A A . 4 TYR HB3 1 1 20 10664 1 1 4 TYR HD1 H 9.739 -6.572 -5.594 1.00 . A A . 4 TYR HD1 1 1 20 10665 1 1 4 TYR HD2 H 11.451 -3.865 -2.774 1.00 . A A . 4 TYR HD2 1 1 20 10666 1 1 4 TYR HE1 H 11.255 -8.338 -4.795 1.00 . A A . 4 TYR HE1 1 1 20 10667 1 1 4 TYR HE2 H 12.941 -5.593 -1.998 1.00 . A A . 4 TYR HE2 1 1 20 10668 1 1 4 TYR HH H 13.032 -8.021 -1.934 1.00 . A A . 4 TYR HH 1 1 20 10669 1 1 4 TYR N N 7.672 -4.437 -3.372 1.00 . A A . 4 TYR N 1 1 20 10670 1 1 4 TYR O O 6.686 -2.121 -4.115 1.00 . A A . 4 TYR O 1 1 20 10671 1 1 4 TYR OH O 13.054 -8.052 -2.900 1.00 . A A . 4 TYR OH 1 1 20 10672 1 1 5 MET C C 7.166 -0.372 -6.345 1.00 . A A . 5 MET C 1 1 20 10673 1 1 5 MET CA C 8.115 -0.060 -5.204 1.00 . A A . 5 MET CA 1 1 20 10674 1 1 5 MET CB C 9.205 0.903 -5.678 1.00 . A A . 5 MET CB 1 1 20 10675 1 1 5 MET CE C 9.314 5.039 -5.745 1.00 . A A . 5 MET CE 1 1 20 10676 1 1 5 MET CG C 8.764 2.349 -5.654 1.00 . A A . 5 MET CG 1 1 20 10677 1 1 5 MET H H 9.642 -1.480 -4.806 1.00 . A A . 5 MET H 1 1 20 10678 1 1 5 MET HA H 7.547 0.394 -4.405 1.00 . A A . 5 MET HA 1 1 20 10679 1 1 5 MET HB2 H 10.080 0.802 -5.055 1.00 . A A . 5 MET HB2 1 1 20 10680 1 1 5 MET HB3 H 9.467 0.652 -6.695 1.00 . A A . 5 MET HB3 1 1 20 10681 1 1 5 MET HE1 H 9.325 5.020 -4.662 1.00 . A A . 5 MET HE1 1 1 20 10682 1 1 5 MET HE2 H 8.302 5.161 -6.102 1.00 . A A . 5 MET HE2 1 1 20 10683 1 1 5 MET HE3 H 9.937 5.851 -6.090 1.00 . A A . 5 MET HE3 1 1 20 10684 1 1 5 MET HG2 H 7.855 2.451 -6.229 1.00 . A A . 5 MET HG2 1 1 20 10685 1 1 5 MET HG3 H 8.570 2.611 -4.625 1.00 . A A . 5 MET HG3 1 1 20 10686 1 1 5 MET N N 8.679 -1.300 -4.729 1.00 . A A . 5 MET N 1 1 20 10687 1 1 5 MET O O 7.496 -1.189 -7.205 1.00 . A A . 5 MET O 1 1 20 10688 1 1 5 MET SD S 9.989 3.482 -6.313 1.00 . A A . 5 MET SD 1 1 20 10689 1 1 6 PHE C C 4.072 -1.215 -7.012 1.00 . A A . 6 PHE C 1 1 20 10690 1 1 6 PHE CA C 4.898 0.048 -7.295 1.00 . A A . 6 PHE CA 1 1 20 10691 1 1 6 PHE CB C 5.376 0.117 -8.769 1.00 . A A . 6 PHE CB 1 1 20 10692 1 1 6 PHE CD1 C 5.317 2.532 -9.442 1.00 . A A . 6 PHE CD1 1 1 20 10693 1 1 6 PHE CD2 C 7.435 1.514 -9.092 1.00 . A A . 6 PHE CD2 1 1 20 10694 1 1 6 PHE CE1 C 5.941 3.724 -9.738 1.00 . A A . 6 PHE CE1 1 1 20 10695 1 1 6 PHE CE2 C 8.064 2.695 -9.387 1.00 . A A . 6 PHE CE2 1 1 20 10696 1 1 6 PHE CG C 6.054 1.415 -9.115 1.00 . A A . 6 PHE CG 1 1 20 10697 1 1 6 PHE CZ C 7.318 3.805 -9.710 1.00 . A A . 6 PHE CZ 1 1 20 10698 1 1 6 PHE H H 5.829 0.856 -5.559 1.00 . A A . 6 PHE H 1 1 20 10699 1 1 6 PHE HA H 4.227 0.876 -7.111 1.00 . A A . 6 PHE HA 1 1 20 10700 1 1 6 PHE HB2 H 6.079 -0.682 -8.949 1.00 . A A . 6 PHE HB2 1 1 20 10701 1 1 6 PHE HB3 H 4.524 -0.004 -9.423 1.00 . A A . 6 PHE HB3 1 1 20 10702 1 1 6 PHE HD1 H 4.238 2.470 -9.463 1.00 . A A . 6 PHE HD1 1 1 20 10703 1 1 6 PHE HD2 H 8.022 0.643 -8.839 1.00 . A A . 6 PHE HD2 1 1 20 10704 1 1 6 PHE HE1 H 5.354 4.594 -9.993 1.00 . A A . 6 PHE HE1 1 1 20 10705 1 1 6 PHE HE2 H 9.143 2.745 -9.353 1.00 . A A . 6 PHE HE2 1 1 20 10706 1 1 6 PHE HZ H 7.809 4.738 -9.941 1.00 . A A . 6 PHE HZ 1 1 20 10707 1 1 6 PHE N N 5.985 0.237 -6.307 1.00 . A A . 6 PHE N 1 1 20 10708 1 1 6 PHE O O 3.136 -1.538 -7.751 1.00 . A A . 6 PHE O 1 1 20 10709 1 1 7 GLY C C 2.491 -2.583 -4.630 1.00 . A A . 7 GLY C 1 1 20 10710 1 1 7 GLY CA C 3.626 -3.047 -5.502 1.00 . A A . 7 GLY CA 1 1 20 10711 1 1 7 GLY H H 5.195 -1.654 -5.400 1.00 . A A . 7 GLY H 1 1 20 10712 1 1 7 GLY HA2 H 3.227 -3.561 -6.363 1.00 . A A . 7 GLY HA2 1 1 20 10713 1 1 7 GLY HA3 H 4.238 -3.729 -4.931 1.00 . A A . 7 GLY HA3 1 1 20 10714 1 1 7 GLY N N 4.406 -1.906 -5.929 1.00 . A A . 7 GLY N 1 1 20 10715 1 1 7 GLY O O 2.651 -1.611 -3.906 1.00 . A A . 7 GLY O 1 1 20 10716 1 1 8 ASP C C 0.307 -2.976 -2.485 1.00 . A A . 8 ASP C 1 1 20 10717 1 1 8 ASP CA C 0.140 -2.869 -3.965 1.00 . A A . 8 ASP CA 1 1 20 10718 1 1 8 ASP CB C -1.029 -3.717 -4.413 1.00 . A A . 8 ASP CB 1 1 20 10719 1 1 8 ASP CG C -2.346 -3.455 -3.688 1.00 . A A . 8 ASP CG 1 1 20 10720 1 1 8 ASP H H 1.349 -4.078 -5.243 1.00 . A A . 8 ASP H 1 1 20 10721 1 1 8 ASP HA H -0.074 -1.841 -4.213 1.00 . A A . 8 ASP HA 1 1 20 10722 1 1 8 ASP HB2 H -1.163 -3.440 -5.439 1.00 . A A . 8 ASP HB2 1 1 20 10723 1 1 8 ASP HB3 H -0.766 -4.760 -4.332 1.00 . A A . 8 ASP HB3 1 1 20 10724 1 1 8 ASP N N 1.364 -3.264 -4.699 1.00 . A A . 8 ASP N 1 1 20 10725 1 1 8 ASP O O 0.952 -3.908 -1.983 1.00 . A A . 8 ASP O 1 1 20 10726 1 1 8 ASP OD1 O -3.020 -2.448 -3.987 1.00 . A A . 8 ASP OD1 1 1 20 10727 1 1 8 ASP OD2 O -2.765 -4.301 -2.864 1.00 . A A . 8 ASP OD2 1 1 20 10728 1 1 9 CYS C C -1.336 -1.427 0.296 1.00 . A A . 9 CYS C 1 1 20 10729 1 1 9 CYS CA C -0.127 -2.043 -0.370 1.00 . A A . 9 CYS CA 1 1 20 10730 1 1 9 CYS CB C 1.120 -1.258 -0.029 1.00 . A A . 9 CYS CB 1 1 20 10731 1 1 9 CYS H H -0.798 -1.357 -2.231 1.00 . A A . 9 CYS H 1 1 20 10732 1 1 9 CYS HA H 0.007 -3.056 -0.024 1.00 . A A . 9 CYS HA 1 1 20 10733 1 1 9 CYS HB2 H 1.396 -1.386 1.005 1.00 . A A . 9 CYS HB2 1 1 20 10734 1 1 9 CYS HB3 H 1.867 -1.686 -0.684 1.00 . A A . 9 CYS HB3 1 1 20 10735 1 1 9 CYS N N -0.271 -2.058 -1.785 1.00 . A A . 9 CYS N 1 1 20 10736 1 1 9 CYS O O -2.086 -0.654 -0.332 1.00 . A A . 9 CYS O 1 1 20 10737 1 1 9 CYS SG S 1.021 0.528 -0.424 1.00 . A A . 9 CYS SG 1 1 20 10738 1 1 10 GLU C C -1.931 -0.496 3.491 1.00 . A A . 10 GLU C 1 1 20 10739 1 1 10 GLU CA C -2.604 -1.217 2.338 1.00 . A A . 10 GLU CA 1 1 20 10740 1 1 10 GLU CB C -3.509 -2.295 2.885 1.00 . A A . 10 GLU CB 1 1 20 10741 1 1 10 GLU CD C -4.866 -4.341 2.461 1.00 . A A . 10 GLU CD 1 1 20 10742 1 1 10 GLU CG C -4.135 -3.191 1.838 1.00 . A A . 10 GLU CG 1 1 20 10743 1 1 10 GLU H H -1.024 -2.519 1.942 1.00 . A A . 10 GLU H 1 1 20 10744 1 1 10 GLU HA H -3.171 -0.522 1.736 1.00 . A A . 10 GLU HA 1 1 20 10745 1 1 10 GLU HB2 H -2.928 -2.903 3.558 1.00 . A A . 10 GLU HB2 1 1 20 10746 1 1 10 GLU HB3 H -4.298 -1.820 3.447 1.00 . A A . 10 GLU HB3 1 1 20 10747 1 1 10 GLU HG2 H -4.833 -2.610 1.253 1.00 . A A . 10 GLU HG2 1 1 20 10748 1 1 10 GLU HG3 H -3.358 -3.574 1.195 1.00 . A A . 10 GLU HG3 1 1 20 10749 1 1 10 GLU N N -1.564 -1.805 1.533 1.00 . A A . 10 GLU N 1 1 20 10750 1 1 10 GLU O O -2.365 0.575 3.923 1.00 . A A . 10 GLU O 1 1 20 10751 1 1 10 GLU OE1 O -6.081 -4.244 2.675 1.00 . A A . 10 GLU OE1 1 1 20 10752 1 1 10 GLU OE2 O -4.219 -5.373 2.782 1.00 . A A . 10 GLU OE2 1 1 20 10753 1 1 11 LYS C C 1.381 -0.727 4.714 1.00 . A A . 11 LYS C 1 1 20 10754 1 1 11 LYS CA C -0.074 -0.526 5.031 1.00 . A A . 11 LYS CA 1 1 20 10755 1 1 11 LYS CB C -0.437 -1.111 6.408 1.00 . A A . 11 LYS CB 1 1 20 10756 1 1 11 LYS CD C -0.683 -3.064 7.949 1.00 . A A . 11 LYS CD 1 1 20 10757 1 1 11 LYS CE C -0.623 -4.577 8.143 1.00 . A A . 11 LYS CE 1 1 20 10758 1 1 11 LYS CG C -0.315 -2.625 6.538 1.00 . A A . 11 LYS CG 1 1 20 10759 1 1 11 LYS H H -0.526 -1.946 3.601 1.00 . A A . 11 LYS H 1 1 20 10760 1 1 11 LYS HA H -0.270 0.537 5.034 1.00 . A A . 11 LYS HA 1 1 20 10761 1 1 11 LYS HB2 H 0.215 -0.668 7.145 1.00 . A A . 11 LYS HB2 1 1 20 10762 1 1 11 LYS HB3 H -1.452 -0.826 6.642 1.00 . A A . 11 LYS HB3 1 1 20 10763 1 1 11 LYS HD2 H 0.025 -2.612 8.624 1.00 . A A . 11 LYS HD2 1 1 20 10764 1 1 11 LYS HD3 H -1.677 -2.711 8.175 1.00 . A A . 11 LYS HD3 1 1 20 10765 1 1 11 LYS HE2 H 0.377 -4.920 7.926 1.00 . A A . 11 LYS HE2 1 1 20 10766 1 1 11 LYS HE3 H -0.856 -4.804 9.172 1.00 . A A . 11 LYS HE3 1 1 20 10767 1 1 11 LYS HG2 H -0.978 -3.094 5.827 1.00 . A A . 11 LYS HG2 1 1 20 10768 1 1 11 LYS HG3 H 0.705 -2.910 6.330 1.00 . A A . 11 LYS HG3 1 1 20 10769 1 1 11 LYS HZ1 H -1.563 -6.315 7.490 1.00 . A A . 11 LYS HZ1 1 1 20 10770 1 1 11 LYS HZ2 H -1.282 -5.231 6.275 1.00 . A A . 11 LYS HZ2 1 1 20 10771 1 1 11 LYS HZ3 H -2.538 -4.947 7.374 1.00 . A A . 11 LYS HZ3 1 1 20 10772 1 1 11 LYS N N -0.852 -1.093 3.978 1.00 . A A . 11 LYS N 1 1 20 10773 1 1 11 LYS NZ N -1.564 -5.299 7.273 1.00 . A A . 11 LYS NZ 1 1 20 10774 1 1 11 LYS O O 1.713 -1.414 3.749 1.00 . A A . 11 LYS O 1 1 20 10775 1 1 12 ASP C C 4.257 -1.609 5.428 1.00 . A A . 12 ASP C 1 1 20 10776 1 1 12 ASP CA C 3.695 -0.224 5.247 1.00 . A A . 12 ASP CA 1 1 20 10777 1 1 12 ASP CB C 4.474 0.763 6.110 1.00 . A A . 12 ASP CB 1 1 20 10778 1 1 12 ASP CG C 4.018 2.181 5.940 1.00 . A A . 12 ASP CG 1 1 20 10779 1 1 12 ASP H H 1.924 0.237 6.356 1.00 . A A . 12 ASP H 1 1 20 10780 1 1 12 ASP HA H 3.819 0.052 4.211 1.00 . A A . 12 ASP HA 1 1 20 10781 1 1 12 ASP HB2 H 4.351 0.493 7.147 1.00 . A A . 12 ASP HB2 1 1 20 10782 1 1 12 ASP HB3 H 5.521 0.703 5.852 1.00 . A A . 12 ASP HB3 1 1 20 10783 1 1 12 ASP N N 2.250 -0.188 5.533 1.00 . A A . 12 ASP N 1 1 20 10784 1 1 12 ASP O O 5.330 -1.914 4.927 1.00 . A A . 12 ASP O 1 1 20 10785 1 1 12 ASP OD1 O 4.436 2.854 4.984 1.00 . A A . 12 ASP OD1 1 1 20 10786 1 1 12 ASP OD2 O 3.216 2.654 6.765 1.00 . A A . 12 ASP OD2 1 1 20 10787 1 1 13 GLU C C 4.008 -4.572 5.070 1.00 . A A . 13 GLU C 1 1 20 10788 1 1 13 GLU CA C 3.880 -3.845 6.378 1.00 . A A . 13 GLU CA 1 1 20 10789 1 1 13 GLU CB C 2.787 -4.534 7.167 1.00 . A A . 13 GLU CB 1 1 20 10790 1 1 13 GLU CD C 4.317 -6.066 8.473 1.00 . A A . 13 GLU CD 1 1 20 10791 1 1 13 GLU CG C 3.099 -5.965 7.595 1.00 . A A . 13 GLU CG 1 1 20 10792 1 1 13 GLU H H 2.645 -2.117 6.466 1.00 . A A . 13 GLU H 1 1 20 10793 1 1 13 GLU HA H 4.802 -3.884 6.936 1.00 . A A . 13 GLU HA 1 1 20 10794 1 1 13 GLU HB2 H 2.511 -3.949 8.030 1.00 . A A . 13 GLU HB2 1 1 20 10795 1 1 13 GLU HB3 H 1.958 -4.577 6.472 1.00 . A A . 13 GLU HB3 1 1 20 10796 1 1 13 GLU HG2 H 2.254 -6.360 8.140 1.00 . A A . 13 GLU HG2 1 1 20 10797 1 1 13 GLU HG3 H 3.260 -6.561 6.709 1.00 . A A . 13 GLU HG3 1 1 20 10798 1 1 13 GLU N N 3.499 -2.456 6.123 1.00 . A A . 13 GLU N 1 1 20 10799 1 1 13 GLU O O 4.888 -5.411 4.893 1.00 . A A . 13 GLU O 1 1 20 10800 1 1 13 GLU OE1 O 4.218 -5.764 9.682 1.00 . A A . 13 GLU OE1 1 1 20 10801 1 1 13 GLU OE2 O 5.397 -6.480 7.989 1.00 . A A . 13 GLU OE2 1 1 20 10802 1 1 14 ASP C C 4.347 -4.617 2.085 1.00 . A A . 14 ASP C 1 1 20 10803 1 1 14 ASP CA C 3.070 -4.864 2.853 1.00 . A A . 14 ASP CA 1 1 20 10804 1 1 14 ASP CB C 1.890 -4.344 2.031 1.00 . A A . 14 ASP CB 1 1 20 10805 1 1 14 ASP CG C 0.538 -4.638 2.624 1.00 . A A . 14 ASP CG 1 1 20 10806 1 1 14 ASP H H 2.490 -3.504 4.361 1.00 . A A . 14 ASP H 1 1 20 10807 1 1 14 ASP HA H 2.944 -5.926 3.005 1.00 . A A . 14 ASP HA 1 1 20 10808 1 1 14 ASP HB2 H 1.979 -3.278 1.899 1.00 . A A . 14 ASP HB2 1 1 20 10809 1 1 14 ASP HB3 H 1.945 -4.829 1.073 1.00 . A A . 14 ASP HB3 1 1 20 10810 1 1 14 ASP N N 3.125 -4.226 4.152 1.00 . A A . 14 ASP N 1 1 20 10811 1 1 14 ASP O O 4.823 -5.475 1.355 1.00 . A A . 14 ASP O 1 1 20 10812 1 1 14 ASP OD1 O 0.110 -5.817 2.616 1.00 . A A . 14 ASP OD1 1 1 20 10813 1 1 14 ASP OD2 O -0.151 -3.699 3.087 1.00 . A A . 14 ASP OD2 1 1 20 10814 1 1 15 CYS C C 7.342 -3.562 2.360 1.00 . A A . 15 CYS C 1 1 20 10815 1 1 15 CYS CA C 6.115 -3.077 1.620 1.00 . A A . 15 CYS CA 1 1 20 10816 1 1 15 CYS CB C 6.151 -1.569 1.533 1.00 . A A . 15 CYS CB 1 1 20 10817 1 1 15 CYS H H 4.555 -2.881 2.988 1.00 . A A . 15 CYS H 1 1 20 10818 1 1 15 CYS HA H 6.100 -3.481 0.619 1.00 . A A . 15 CYS HA 1 1 20 10819 1 1 15 CYS HB2 H 6.392 -1.171 2.506 1.00 . A A . 15 CYS HB2 1 1 20 10820 1 1 15 CYS HB3 H 6.928 -1.281 0.841 1.00 . A A . 15 CYS HB3 1 1 20 10821 1 1 15 CYS N N 4.927 -3.481 2.309 1.00 . A A . 15 CYS N 1 1 20 10822 1 1 15 CYS O O 7.280 -3.905 3.552 1.00 . A A . 15 CYS O 1 1 20 10823 1 1 15 CYS SG S 4.590 -0.850 0.949 1.00 . A A . 15 CYS SG 1 1 20 10824 1 1 16 CYS C C 10.225 -2.908 3.181 1.00 . A A . 16 CYS C 1 1 20 10825 1 1 16 CYS CA C 9.713 -3.989 2.207 1.00 . A A . 16 CYS CA 1 1 20 10826 1 1 16 CYS CB C 10.683 -4.218 1.076 1.00 . A A . 16 CYS CB 1 1 20 10827 1 1 16 CYS H H 8.377 -3.496 0.681 1.00 . A A . 16 CYS H 1 1 20 10828 1 1 16 CYS HA H 9.591 -4.914 2.749 1.00 . A A . 16 CYS HA 1 1 20 10829 1 1 16 CYS HB2 H 10.921 -3.283 0.599 1.00 . A A . 16 CYS HB2 1 1 20 10830 1 1 16 CYS HB3 H 11.608 -4.595 1.470 1.00 . A A . 16 CYS HB3 1 1 20 10831 1 1 16 CYS N N 8.432 -3.635 1.649 1.00 . A A . 16 CYS N 1 1 20 10832 1 1 16 CYS O O 9.612 -1.841 3.326 1.00 . A A . 16 CYS O 1 1 20 10833 1 1 16 CYS SG S 10.090 -5.448 -0.124 1.00 . A A . 16 CYS SG 1 1 20 10834 1 1 17 LYS C C 12.240 -0.948 4.398 1.00 . A A . 17 LYS C 1 1 20 10835 1 1 17 LYS CA C 11.897 -2.329 4.878 1.00 . A A . 17 LYS CA 1 1 20 10836 1 1 17 LYS CB C 13.143 -2.947 5.485 1.00 . A A . 17 LYS CB 1 1 20 10837 1 1 17 LYS CD C 12.043 -4.638 7.119 1.00 . A A . 17 LYS CD 1 1 20 10838 1 1 17 LYS CE C 10.599 -4.757 6.625 1.00 . A A . 17 LYS CE 1 1 20 10839 1 1 17 LYS CG C 13.050 -4.394 5.976 1.00 . A A . 17 LYS CG 1 1 20 10840 1 1 17 LYS H H 11.884 -3.943 3.478 1.00 . A A . 17 LYS H 1 1 20 10841 1 1 17 LYS HA H 11.156 -2.226 5.650 1.00 . A A . 17 LYS HA 1 1 20 10842 1 1 17 LYS HB2 H 13.928 -2.910 4.746 1.00 . A A . 17 LYS HB2 1 1 20 10843 1 1 17 LYS HB3 H 13.440 -2.328 6.317 1.00 . A A . 17 LYS HB3 1 1 20 10844 1 1 17 LYS HD2 H 12.307 -5.555 7.625 1.00 . A A . 17 LYS HD2 1 1 20 10845 1 1 17 LYS HD3 H 12.110 -3.816 7.817 1.00 . A A . 17 LYS HD3 1 1 20 10846 1 1 17 LYS HE2 H 10.304 -3.855 6.114 1.00 . A A . 17 LYS HE2 1 1 20 10847 1 1 17 LYS HE3 H 10.545 -5.583 5.931 1.00 . A A . 17 LYS HE3 1 1 20 10848 1 1 17 LYS HG2 H 12.771 -5.013 5.140 1.00 . A A . 17 LYS HG2 1 1 20 10849 1 1 17 LYS HG3 H 14.046 -4.655 6.288 1.00 . A A . 17 LYS HG3 1 1 20 10850 1 1 17 LYS HZ1 H 9.744 -4.276 8.457 1.00 . A A . 17 LYS HZ1 1 1 20 10851 1 1 17 LYS HZ2 H 9.825 -5.932 8.155 1.00 . A A . 17 LYS HZ2 1 1 20 10852 1 1 17 LYS HZ3 H 8.678 -4.983 7.367 1.00 . A A . 17 LYS HZ3 1 1 20 10853 1 1 17 LYS N N 11.363 -3.170 3.794 1.00 . A A . 17 LYS N 1 1 20 10854 1 1 17 LYS NZ N 9.657 -5.002 7.721 1.00 . A A . 17 LYS NZ 1 1 20 10855 1 1 17 LYS O O 11.784 0.049 4.951 1.00 . A A . 17 LYS O 1 1 20 10856 1 1 18 HIS C C 12.379 1.110 2.003 1.00 . A A . 18 HIS C 1 1 20 10857 1 1 18 HIS CA C 13.491 0.364 2.765 1.00 . A A . 18 HIS CA 1 1 20 10858 1 1 18 HIS CB C 14.689 0.116 1.817 1.00 . A A . 18 HIS CB 1 1 20 10859 1 1 18 HIS CD2 C 16.198 -1.561 3.105 1.00 . A A . 18 HIS CD2 1 1 20 10860 1 1 18 HIS CE1 C 18.033 -0.419 3.179 1.00 . A A . 18 HIS CE1 1 1 20 10861 1 1 18 HIS CG C 15.946 -0.384 2.488 1.00 . A A . 18 HIS CG 1 1 20 10862 1 1 18 HIS H H 13.296 -1.777 3.005 1.00 . A A . 18 HIS H 1 1 20 10863 1 1 18 HIS HA H 13.825 0.995 3.575 1.00 . A A . 18 HIS HA 1 1 20 10864 1 1 18 HIS HB2 H 14.403 -0.619 1.080 1.00 . A A . 18 HIS HB2 1 1 20 10865 1 1 18 HIS HB3 H 14.927 1.040 1.310 1.00 . A A . 18 HIS HB3 1 1 20 10866 1 1 18 HIS HD1 H 17.276 1.228 2.185 1.00 . A A . 18 HIS HD1 1 1 20 10867 1 1 18 HIS HD2 H 15.494 -2.367 3.251 1.00 . A A . 18 HIS HD2 1 1 20 10868 1 1 18 HIS HE1 H 19.050 -0.112 3.369 1.00 . A A . 18 HIS HE1 1 1 20 10869 1 1 18 HIS N N 13.017 -0.903 3.360 1.00 . A A . 18 HIS N 1 1 20 10870 1 1 18 HIS ND1 N 17.125 0.327 2.546 1.00 . A A . 18 HIS ND1 1 1 20 10871 1 1 18 HIS NE2 N 17.521 -1.583 3.543 1.00 . A A . 18 HIS NE2 1 1 20 10872 1 1 18 HIS O O 12.639 2.106 1.339 1.00 . A A . 18 HIS O 1 1 20 10873 1 1 19 LEU C C 8.952 1.641 2.390 1.00 . A A . 19 LEU C 1 1 20 10874 1 1 19 LEU CA C 10.039 1.212 1.421 1.00 . A A . 19 LEU CA 1 1 20 10875 1 1 19 LEU CB C 9.481 0.157 0.455 1.00 . A A . 19 LEU CB 1 1 20 10876 1 1 19 LEU CD1 C 9.878 -1.552 -1.291 1.00 . A A . 19 LEU CD1 1 1 20 10877 1 1 19 LEU CD2 C 10.631 0.702 -1.686 1.00 . A A . 19 LEU CD2 1 1 20 10878 1 1 19 LEU CG C 10.434 -0.344 -0.633 1.00 . A A . 19 LEU CG 1 1 20 10879 1 1 19 LEU H H 10.976 -0.052 2.795 1.00 . A A . 19 LEU H 1 1 20 10880 1 1 19 LEU HA H 10.358 2.076 0.856 1.00 . A A . 19 LEU HA 1 1 20 10881 1 1 19 LEU HB2 H 9.152 -0.691 1.037 1.00 . A A . 19 LEU HB2 1 1 20 10882 1 1 19 LEU HB3 H 8.616 0.582 -0.030 1.00 . A A . 19 LEU HB3 1 1 20 10883 1 1 19 LEU HD11 H 8.957 -1.287 -1.789 1.00 . A A . 19 LEU HD11 1 1 20 10884 1 1 19 LEU HD12 H 9.685 -2.324 -0.562 1.00 . A A . 19 LEU HD12 1 1 20 10885 1 1 19 LEU HD13 H 10.594 -1.887 -2.027 1.00 . A A . 19 LEU HD13 1 1 20 10886 1 1 19 LEU HD21 H 9.678 0.973 -2.118 1.00 . A A . 19 LEU HD21 1 1 20 10887 1 1 19 LEU HD22 H 11.270 0.294 -2.456 1.00 . A A . 19 LEU HD22 1 1 20 10888 1 1 19 LEU HD23 H 11.102 1.572 -1.256 1.00 . A A . 19 LEU HD23 1 1 20 10889 1 1 19 LEU HG H 11.399 -0.578 -0.210 1.00 . A A . 19 LEU HG 1 1 20 10890 1 1 19 LEU N N 11.158 0.659 2.144 1.00 . A A . 19 LEU N 1 1 20 10891 1 1 19 LEU O O 9.081 1.462 3.601 1.00 . A A . 19 LEU O 1 1 20 10892 1 1 20 GLY C C 5.562 2.565 1.710 1.00 . A A . 20 GLY C 1 1 20 10893 1 1 20 GLY CA C 6.764 2.623 2.602 1.00 . A A . 20 GLY CA 1 1 20 10894 1 1 20 GLY H H 7.902 2.370 0.877 1.00 . A A . 20 GLY H 1 1 20 10895 1 1 20 GLY HA2 H 6.629 1.960 3.445 1.00 . A A . 20 GLY HA2 1 1 20 10896 1 1 20 GLY HA3 H 6.896 3.638 2.949 1.00 . A A . 20 GLY HA3 1 1 20 10897 1 1 20 GLY N N 7.913 2.211 1.850 1.00 . A A . 20 GLY N 1 1 20 10898 1 1 20 GLY O O 5.717 2.448 0.507 1.00 . A A . 20 GLY O 1 1 20 10899 1 1 21 CYS C C 2.580 3.881 1.123 1.00 . A A . 21 CYS C 1 1 20 10900 1 1 21 CYS CA C 3.191 2.519 1.452 1.00 . A A . 21 CYS CA 1 1 20 10901 1 1 21 CYS CB C 2.173 1.626 2.177 1.00 . A A . 21 CYS CB 1 1 20 10902 1 1 21 CYS H H 4.333 2.782 3.232 1.00 . A A . 21 CYS H 1 1 20 10903 1 1 21 CYS HA H 3.463 2.035 0.526 1.00 . A A . 21 CYS HA 1 1 20 10904 1 1 21 CYS HB2 H 2.595 0.638 2.292 1.00 . A A . 21 CYS HB2 1 1 20 10905 1 1 21 CYS HB3 H 1.986 2.041 3.157 1.00 . A A . 21 CYS HB3 1 1 20 10906 1 1 21 CYS N N 4.397 2.641 2.255 1.00 . A A . 21 CYS N 1 1 20 10907 1 1 21 CYS O O 2.401 4.728 2.004 1.00 . A A . 21 CYS O 1 1 20 10908 1 1 21 CYS SG S 0.560 1.423 1.341 1.00 . A A . 21 CYS SG 1 1 20 10909 1 1 22 LYS C C 0.151 5.029 -0.688 1.00 . A A . 22 LYS C 1 1 20 10910 1 1 22 LYS CA C 1.592 5.296 -0.539 1.00 . A A . 22 LYS CA 1 1 20 10911 1 1 22 LYS CB C 2.159 5.960 -1.786 1.00 . A A . 22 LYS CB 1 1 20 10912 1 1 22 LYS CD C 2.579 8.236 -0.805 1.00 . A A . 22 LYS CD 1 1 20 10913 1 1 22 LYS CE C 1.740 9.057 -1.787 1.00 . A A . 22 LYS CE 1 1 20 10914 1 1 22 LYS CG C 3.200 6.991 -1.465 1.00 . A A . 22 LYS CG 1 1 20 10915 1 1 22 LYS H H 2.543 3.452 -0.824 1.00 . A A . 22 LYS H 1 1 20 10916 1 1 22 LYS HA H 1.699 5.979 0.289 1.00 . A A . 22 LYS HA 1 1 20 10917 1 1 22 LYS HB2 H 2.607 5.199 -2.408 1.00 . A A . 22 LYS HB2 1 1 20 10918 1 1 22 LYS HB3 H 1.356 6.434 -2.331 1.00 . A A . 22 LYS HB3 1 1 20 10919 1 1 22 LYS HD2 H 1.920 7.903 -0.014 1.00 . A A . 22 LYS HD2 1 1 20 10920 1 1 22 LYS HD3 H 3.356 8.856 -0.388 1.00 . A A . 22 LYS HD3 1 1 20 10921 1 1 22 LYS HE2 H 2.358 9.318 -2.633 1.00 . A A . 22 LYS HE2 1 1 20 10922 1 1 22 LYS HE3 H 0.908 8.455 -2.125 1.00 . A A . 22 LYS HE3 1 1 20 10923 1 1 22 LYS HG2 H 3.873 6.540 -0.755 1.00 . A A . 22 LYS HG2 1 1 20 10924 1 1 22 LYS HG3 H 3.723 7.275 -2.366 1.00 . A A . 22 LYS HG3 1 1 20 10925 1 1 22 LYS HZ1 H 0.619 10.115 -0.344 1.00 . A A . 22 LYS HZ1 1 1 20 10926 1 1 22 LYS HZ2 H 0.652 10.863 -1.839 1.00 . A A . 22 LYS HZ2 1 1 20 10927 1 1 22 LYS HZ3 H 2.001 10.916 -0.866 1.00 . A A . 22 LYS HZ3 1 1 20 10928 1 1 22 LYS N N 2.296 4.111 -0.135 1.00 . A A . 22 LYS N 1 1 20 10929 1 1 22 LYS NZ N 1.218 10.302 -1.173 1.00 . A A . 22 LYS NZ 1 1 20 10930 1 1 22 LYS O O -0.290 4.424 -1.669 1.00 . A A . 22 LYS O 1 1 20 10931 1 1 23 ARG C C -2.803 6.002 -0.738 1.00 . A A . 23 ARG C 1 1 20 10932 1 1 23 ARG CA C -2.016 5.334 0.362 1.00 . A A . 23 ARG CA 1 1 20 10933 1 1 23 ARG CB C -2.548 5.782 1.723 1.00 . A A . 23 ARG CB 1 1 20 10934 1 1 23 ARG CD C -0.721 4.870 3.289 1.00 . A A . 23 ARG CD 1 1 20 10935 1 1 23 ARG CG C -2.194 4.892 2.911 1.00 . A A . 23 ARG CG 1 1 20 10936 1 1 23 ARG CZ C 0.648 3.725 5.057 1.00 . A A . 23 ARG CZ 1 1 20 10937 1 1 23 ARG H H -0.144 6.114 0.920 1.00 . A A . 23 ARG H 1 1 20 10938 1 1 23 ARG HA H -2.174 4.276 0.276 1.00 . A A . 23 ARG HA 1 1 20 10939 1 1 23 ARG HB2 H -2.165 6.769 1.931 1.00 . A A . 23 ARG HB2 1 1 20 10940 1 1 23 ARG HB3 H -3.625 5.843 1.657 1.00 . A A . 23 ARG HB3 1 1 20 10941 1 1 23 ARG HD2 H -0.142 4.493 2.459 1.00 . A A . 23 ARG HD2 1 1 20 10942 1 1 23 ARG HD3 H -0.410 5.877 3.521 1.00 . A A . 23 ARG HD3 1 1 20 10943 1 1 23 ARG HE H -1.370 3.699 4.856 1.00 . A A . 23 ARG HE 1 1 20 10944 1 1 23 ARG HG2 H -2.728 5.260 3.772 1.00 . A A . 23 ARG HG2 1 1 20 10945 1 1 23 ARG HG3 H -2.509 3.888 2.676 1.00 . A A . 23 ARG HG3 1 1 20 10946 1 1 23 ARG HH11 H 1.856 4.629 3.667 1.00 . A A . 23 ARG HH11 1 1 20 10947 1 1 23 ARG HH12 H 2.681 3.862 4.949 1.00 . A A . 23 ARG HH12 1 1 20 10948 1 1 23 ARG HH21 H -0.169 2.682 6.614 1.00 . A A . 23 ARG HH21 1 1 20 10949 1 1 23 ARG HH22 H 1.552 2.801 6.601 1.00 . A A . 23 ARG HH22 1 1 20 10950 1 1 23 ARG N N -0.588 5.547 0.251 1.00 . A A . 23 ARG N 1 1 20 10951 1 1 23 ARG NE N -0.522 4.029 4.478 1.00 . A A . 23 ARG NE 1 1 20 10952 1 1 23 ARG NH1 N 1.798 4.103 4.523 1.00 . A A . 23 ARG NH1 1 1 20 10953 1 1 23 ARG NH2 N 0.665 3.016 6.166 1.00 . A A . 23 ARG NH2 1 1 20 10954 1 1 23 ARG O O -3.959 5.670 -0.967 1.00 . A A . 23 ARG O 1 1 20 10955 1 1 24 LYS C C -2.699 6.919 -3.771 1.00 . A A . 24 LYS C 1 1 20 10956 1 1 24 LYS CA C -2.832 7.656 -2.473 1.00 . A A . 24 LYS CA 1 1 20 10957 1 1 24 LYS CB C -2.191 9.042 -2.599 1.00 . A A . 24 LYS CB 1 1 20 10958 1 1 24 LYS CD C -1.924 11.143 -3.926 1.00 . A A . 24 LYS CD 1 1 20 10959 1 1 24 LYS CE C -2.332 11.880 -5.178 1.00 . A A . 24 LYS CE 1 1 20 10960 1 1 24 LYS CG C -2.741 9.890 -3.736 1.00 . A A . 24 LYS CG 1 1 20 10961 1 1 24 LYS H H -1.218 7.030 -1.243 1.00 . A A . 24 LYS H 1 1 20 10962 1 1 24 LYS HA H -3.875 7.770 -2.228 1.00 . A A . 24 LYS HA 1 1 20 10963 1 1 24 LYS HB2 H -2.348 9.577 -1.675 1.00 . A A . 24 LYS HB2 1 1 20 10964 1 1 24 LYS HB3 H -1.130 8.917 -2.752 1.00 . A A . 24 LYS HB3 1 1 20 10965 1 1 24 LYS HD2 H -2.076 11.795 -3.079 1.00 . A A . 24 LYS HD2 1 1 20 10966 1 1 24 LYS HD3 H -0.882 10.872 -3.995 1.00 . A A . 24 LYS HD3 1 1 20 10967 1 1 24 LYS HE2 H -2.272 11.203 -6.018 1.00 . A A . 24 LYS HE2 1 1 20 10968 1 1 24 LYS HE3 H -3.350 12.214 -5.055 1.00 . A A . 24 LYS HE3 1 1 20 10969 1 1 24 LYS HG2 H -2.717 9.311 -4.647 1.00 . A A . 24 LYS HG2 1 1 20 10970 1 1 24 LYS HG3 H -3.761 10.163 -3.509 1.00 . A A . 24 LYS HG3 1 1 20 10971 1 1 24 LYS HZ1 H -1.756 13.514 -6.316 1.00 . A A . 24 LYS HZ1 1 1 20 10972 1 1 24 LYS HZ2 H -0.478 12.747 -5.545 1.00 . A A . 24 LYS HZ2 1 1 20 10973 1 1 24 LYS HZ3 H -1.520 13.729 -4.659 1.00 . A A . 24 LYS HZ3 1 1 20 10974 1 1 24 LYS N N -2.174 6.902 -1.429 1.00 . A A . 24 LYS N 1 1 20 10975 1 1 24 LYS NZ N -1.469 13.041 -5.436 1.00 . A A . 24 LYS NZ 1 1 20 10976 1 1 24 LYS O O -3.545 7.009 -4.659 1.00 . A A . 24 LYS O 1 1 20 10977 1 1 25 MET C C -1.552 4.021 -5.005 1.00 . A A . 25 MET C 1 1 20 10978 1 1 25 MET CA C -1.322 5.519 -5.097 1.00 . A A . 25 MET CA 1 1 20 10979 1 1 25 MET CB C 0.131 5.815 -5.454 1.00 . A A . 25 MET CB 1 1 20 10980 1 1 25 MET CE C -0.360 7.671 -8.034 1.00 . A A . 25 MET CE 1 1 20 10981 1 1 25 MET CG C 0.533 7.293 -5.416 1.00 . A A . 25 MET CG 1 1 20 10982 1 1 25 MET H H -1.090 6.010 -3.076 1.00 . A A . 25 MET H 1 1 20 10983 1 1 25 MET HA H -1.952 5.932 -5.871 1.00 . A A . 25 MET HA 1 1 20 10984 1 1 25 MET HB2 H 0.809 5.246 -4.834 1.00 . A A . 25 MET HB2 1 1 20 10985 1 1 25 MET HB3 H 0.264 5.473 -6.462 1.00 . A A . 25 MET HB3 1 1 20 10986 1 1 25 MET HE1 H 0.681 7.680 -8.319 1.00 . A A . 25 MET HE1 1 1 20 10987 1 1 25 MET HE2 H -0.930 8.258 -8.739 1.00 . A A . 25 MET HE2 1 1 20 10988 1 1 25 MET HE3 H -0.726 6.655 -8.031 1.00 . A A . 25 MET HE3 1 1 20 10989 1 1 25 MET HG2 H 0.497 7.631 -4.390 1.00 . A A . 25 MET HG2 1 1 20 10990 1 1 25 MET HG3 H 1.545 7.384 -5.781 1.00 . A A . 25 MET HG3 1 1 20 10991 1 1 25 MET N N -1.650 6.159 -3.866 1.00 . A A . 25 MET N 1 1 20 10992 1 1 25 MET O O -1.507 3.316 -6.005 1.00 . A A . 25 MET O 1 1 20 10993 1 1 25 MET SD S -0.538 8.372 -6.398 1.00 . A A . 25 MET SD 1 1 20 10994 1 1 26 LYS C C -0.799 1.306 -3.756 1.00 . A A . 26 LYS C 1 1 20 10995 1 1 26 LYS CA C -2.010 2.136 -3.448 1.00 . A A . 26 LYS CA 1 1 20 10996 1 1 26 LYS CB C -3.267 1.559 -4.128 1.00 . A A . 26 LYS CB 1 1 20 10997 1 1 26 LYS CD C -4.639 2.520 -2.302 1.00 . A A . 26 LYS CD 1 1 20 10998 1 1 26 LYS CE C -5.887 3.271 -1.906 1.00 . A A . 26 LYS CE 1 1 20 10999 1 1 26 LYS CG C -4.537 2.321 -3.795 1.00 . A A . 26 LYS CG 1 1 20 11000 1 1 26 LYS H H -1.786 4.185 -3.029 1.00 . A A . 26 LYS H 1 1 20 11001 1 1 26 LYS HA H -2.137 2.082 -2.378 1.00 . A A . 26 LYS HA 1 1 20 11002 1 1 26 LYS HB2 H -3.112 1.551 -5.195 1.00 . A A . 26 LYS HB2 1 1 20 11003 1 1 26 LYS HB3 H -3.389 0.537 -3.799 1.00 . A A . 26 LYS HB3 1 1 20 11004 1 1 26 LYS HD2 H -4.619 1.555 -1.816 1.00 . A A . 26 LYS HD2 1 1 20 11005 1 1 26 LYS HD3 H -3.765 3.087 -2.008 1.00 . A A . 26 LYS HD3 1 1 20 11006 1 1 26 LYS HE2 H -5.924 4.198 -2.460 1.00 . A A . 26 LYS HE2 1 1 20 11007 1 1 26 LYS HE3 H -6.747 2.668 -2.151 1.00 . A A . 26 LYS HE3 1 1 20 11008 1 1 26 LYS HG2 H -4.508 3.284 -4.282 1.00 . A A . 26 LYS HG2 1 1 20 11009 1 1 26 LYS HG3 H -5.393 1.759 -4.139 1.00 . A A . 26 LYS HG3 1 1 20 11010 1 1 26 LYS HZ1 H -6.743 4.132 -0.205 1.00 . A A . 26 LYS HZ1 1 1 20 11011 1 1 26 LYS HZ2 H -5.071 4.147 -0.221 1.00 . A A . 26 LYS HZ2 1 1 20 11012 1 1 26 LYS HZ3 H -5.887 2.706 0.113 1.00 . A A . 26 LYS HZ3 1 1 20 11013 1 1 26 LYS N N -1.782 3.554 -3.778 1.00 . A A . 26 LYS N 1 1 20 11014 1 1 26 LYS NZ N -5.904 3.573 -0.461 1.00 . A A . 26 LYS NZ 1 1 20 11015 1 1 26 LYS O O -0.896 0.107 -4.020 1.00 . A A . 26 LYS O 1 1 20 11016 1 1 27 TYR C C 2.689 1.654 -3.054 1.00 . A A . 27 TYR C 1 1 20 11017 1 1 27 TYR CA C 1.568 1.212 -3.930 1.00 . A A . 27 TYR CA 1 1 20 11018 1 1 27 TYR CB C 1.999 1.224 -5.422 1.00 . A A . 27 TYR CB 1 1 20 11019 1 1 27 TYR CD1 C 3.696 3.121 -5.647 1.00 . A A . 27 TYR CD1 1 1 20 11020 1 1 27 TYR CD2 C 1.773 3.177 -7.042 1.00 . A A . 27 TYR CD2 1 1 20 11021 1 1 27 TYR CE1 C 4.175 4.263 -6.229 1.00 . A A . 27 TYR CE1 1 1 20 11022 1 1 27 TYR CE2 C 2.248 4.342 -7.628 1.00 . A A . 27 TYR CE2 1 1 20 11023 1 1 27 TYR CG C 2.484 2.548 -6.034 1.00 . A A . 27 TYR CG 1 1 20 11024 1 1 27 TYR CZ C 3.454 4.875 -7.211 1.00 . A A . 27 TYR CZ 1 1 20 11025 1 1 27 TYR H H 0.323 2.834 -3.291 1.00 . A A . 27 TYR H 1 1 20 11026 1 1 27 TYR HA H 1.365 0.187 -3.657 1.00 . A A . 27 TYR HA 1 1 20 11027 1 1 27 TYR HB2 H 2.820 0.529 -5.517 1.00 . A A . 27 TYR HB2 1 1 20 11028 1 1 27 TYR HB3 H 1.180 0.841 -6.006 1.00 . A A . 27 TYR HB3 1 1 20 11029 1 1 27 TYR HD1 H 4.273 2.655 -4.861 1.00 . A A . 27 TYR HD1 1 1 20 11030 1 1 27 TYR HD2 H 0.830 2.759 -7.364 1.00 . A A . 27 TYR HD2 1 1 20 11031 1 1 27 TYR HE1 H 5.116 4.680 -5.905 1.00 . A A . 27 TYR HE1 1 1 20 11032 1 1 27 TYR HE2 H 1.671 4.828 -8.398 1.00 . A A . 27 TYR HE2 1 1 20 11033 1 1 27 TYR HH H 3.236 6.625 -7.984 1.00 . A A . 27 TYR HH 1 1 20 11034 1 1 27 TYR N N 0.342 1.919 -3.649 1.00 . A A . 27 TYR N 1 1 20 11035 1 1 27 TYR O O 2.671 2.757 -2.498 1.00 . A A . 27 TYR O 1 1 20 11036 1 1 27 TYR OH O 3.956 6.009 -7.803 1.00 . A A . 27 TYR OH 1 1 20 11037 1 1 28 CYS C C 5.770 2.024 -2.842 1.00 . A A . 28 CYS C 1 1 20 11038 1 1 28 CYS CA C 4.821 1.053 -2.161 1.00 . A A . 28 CYS CA 1 1 20 11039 1 1 28 CYS CB C 5.528 -0.258 -1.853 1.00 . A A . 28 CYS CB 1 1 20 11040 1 1 28 CYS H H 3.547 -0.035 -3.450 1.00 . A A . 28 CYS H 1 1 20 11041 1 1 28 CYS HA H 4.495 1.487 -1.228 1.00 . A A . 28 CYS HA 1 1 20 11042 1 1 28 CYS HB2 H 5.848 -0.713 -2.779 1.00 . A A . 28 CYS HB2 1 1 20 11043 1 1 28 CYS HB3 H 6.393 -0.058 -1.238 1.00 . A A . 28 CYS HB3 1 1 20 11044 1 1 28 CYS N N 3.657 0.811 -2.959 1.00 . A A . 28 CYS N 1 1 20 11045 1 1 28 CYS O O 6.044 1.918 -4.043 1.00 . A A . 28 CYS O 1 1 20 11046 1 1 28 CYS SG S 4.487 -1.462 -0.976 1.00 . A A . 28 CYS SG 1 1 20 11047 1 1 29 ALA C C 8.379 3.794 -1.544 1.00 . A A . 29 ALA C 1 1 20 11048 1 1 29 ALA CA C 7.189 3.952 -2.478 1.00 . A A . 29 ALA CA 1 1 20 11049 1 1 29 ALA CB C 6.561 5.334 -2.367 1.00 . A A . 29 ALA CB 1 1 20 11050 1 1 29 ALA H H 5.970 2.949 -1.126 1.00 . A A . 29 ALA H 1 1 20 11051 1 1 29 ALA HA H 7.484 3.755 -3.497 1.00 . A A . 29 ALA HA 1 1 20 11052 1 1 29 ALA HB1 H 7.284 6.086 -2.649 1.00 . A A . 29 ALA HB1 1 1 20 11053 1 1 29 ALA HB2 H 6.239 5.503 -1.350 1.00 . A A . 29 ALA HB2 1 1 20 11054 1 1 29 ALA HB3 H 5.710 5.380 -3.030 1.00 . A A . 29 ALA HB3 1 1 20 11055 1 1 29 ALA N N 6.242 2.955 -2.073 1.00 . A A . 29 ALA N 1 1 20 11056 1 1 29 ALA O O 8.423 2.814 -0.816 1.00 . A A . 29 ALA O 1 1 20 11057 1 1 30 TRP C C 10.244 4.910 0.788 1.00 . A A . 30 TRP C 1 1 20 11058 1 1 30 TRP CA C 10.499 4.548 -0.659 1.00 . A A . 30 TRP CA 1 1 20 11059 1 1 30 TRP CB C 11.740 5.256 -1.210 1.00 . A A . 30 TRP CB 1 1 20 11060 1 1 30 TRP CD1 C 12.083 5.081 -3.725 1.00 . A A . 30 TRP CD1 1 1 20 11061 1 1 30 TRP CD2 C 12.935 3.413 -2.557 1.00 . A A . 30 TRP CD2 1 1 20 11062 1 1 30 TRP CE2 C 13.183 3.157 -3.899 1.00 . A A . 30 TRP CE2 1 1 20 11063 1 1 30 TRP CE3 C 13.367 2.529 -1.618 1.00 . A A . 30 TRP CE3 1 1 20 11064 1 1 30 TRP CG C 12.233 4.634 -2.466 1.00 . A A . 30 TRP CG 1 1 20 11065 1 1 30 TRP CH2 C 14.279 1.141 -3.361 1.00 . A A . 30 TRP CH2 1 1 20 11066 1 1 30 TRP CZ2 C 13.858 2.014 -4.326 1.00 . A A . 30 TRP CZ2 1 1 20 11067 1 1 30 TRP CZ3 C 14.039 1.391 -2.012 1.00 . A A . 30 TRP CZ3 1 1 20 11068 1 1 30 TRP H H 9.206 5.566 -2.009 1.00 . A A . 30 TRP H 1 1 20 11069 1 1 30 TRP HA H 10.681 3.486 -0.671 1.00 . A A . 30 TRP HA 1 1 20 11070 1 1 30 TRP HB2 H 11.524 6.292 -1.403 1.00 . A A . 30 TRP HB2 1 1 20 11071 1 1 30 TRP HB3 H 12.530 5.190 -0.477 1.00 . A A . 30 TRP HB3 1 1 20 11072 1 1 30 TRP HD1 H 11.581 6.001 -3.986 1.00 . A A . 30 TRP HD1 1 1 20 11073 1 1 30 TRP HE1 H 12.675 4.293 -5.578 1.00 . A A . 30 TRP HE1 1 1 20 11074 1 1 30 TRP HE3 H 13.142 2.774 -0.593 1.00 . A A . 30 TRP HE3 1 1 20 11075 1 1 30 TRP HH2 H 14.807 0.239 -3.635 1.00 . A A . 30 TRP HH2 1 1 20 11076 1 1 30 TRP HZ2 H 14.045 1.802 -5.367 1.00 . A A . 30 TRP HZ2 1 1 20 11077 1 1 30 TRP HZ3 H 14.382 0.683 -1.272 1.00 . A A . 30 TRP HZ3 1 1 20 11078 1 1 30 TRP N N 9.311 4.729 -1.508 1.00 . A A . 30 TRP N 1 1 20 11079 1 1 30 TRP NE1 N 12.653 4.194 -4.602 1.00 . A A . 30 TRP NE1 1 1 20 11080 1 1 30 TRP O O 11.087 4.684 1.664 1.00 . A A . 30 TRP O 1 1 20 11081 1 1 31 ASP C C 7.164 6.094 2.075 1.00 . A A . 31 ASP C 1 1 20 11082 1 1 31 ASP CA C 8.624 5.819 2.296 1.00 . A A . 31 ASP CA 1 1 20 11083 1 1 31 ASP CB C 9.379 7.077 2.769 1.00 . A A . 31 ASP CB 1 1 20 11084 1 1 31 ASP CG C 9.005 7.544 4.161 1.00 . A A . 31 ASP CG 1 1 20 11085 1 1 31 ASP H H 8.434 5.595 0.317 1.00 . A A . 31 ASP H 1 1 20 11086 1 1 31 ASP HA H 8.755 5.006 2.994 1.00 . A A . 31 ASP HA 1 1 20 11087 1 1 31 ASP HB2 H 10.427 6.820 2.766 1.00 . A A . 31 ASP HB2 1 1 20 11088 1 1 31 ASP HB3 H 9.208 7.875 2.061 1.00 . A A . 31 ASP HB3 1 1 20 11089 1 1 31 ASP N N 9.088 5.430 1.028 1.00 . A A . 31 ASP N 1 1 20 11090 1 1 31 ASP O O 6.711 6.071 0.930 1.00 . A A . 31 ASP O 1 1 20 11091 1 1 31 ASP OD1 O 8.162 8.453 4.291 1.00 . A A . 31 ASP OD1 1 1 20 11092 1 1 31 ASP OD2 O 9.545 7.012 5.151 1.00 . A A . 31 ASP OD2 1 1 20 11093 1 1 32 PHE C C 4.784 8.035 2.546 1.00 . A A . 32 PHE C 1 1 20 11094 1 1 32 PHE CA C 5.014 6.599 2.988 1.00 . A A . 32 PHE CA 1 1 20 11095 1 1 32 PHE CB C 4.273 6.294 4.300 1.00 . A A . 32 PHE CB 1 1 20 11096 1 1 32 PHE CD1 C 4.523 8.260 5.848 1.00 . A A . 32 PHE CD1 1 1 20 11097 1 1 32 PHE CD2 C 5.693 6.262 6.351 1.00 . A A . 32 PHE CD2 1 1 20 11098 1 1 32 PHE CE1 C 5.045 8.850 6.974 1.00 . A A . 32 PHE CE1 1 1 20 11099 1 1 32 PHE CE2 C 6.216 6.845 7.476 1.00 . A A . 32 PHE CE2 1 1 20 11100 1 1 32 PHE CG C 4.844 6.956 5.523 1.00 . A A . 32 PHE CG 1 1 20 11101 1 1 32 PHE CZ C 5.894 8.141 7.789 1.00 . A A . 32 PHE CZ 1 1 20 11102 1 1 32 PHE H H 6.897 6.303 3.962 1.00 . A A . 32 PHE H 1 1 20 11103 1 1 32 PHE HA H 4.630 5.951 2.213 1.00 . A A . 32 PHE HA 1 1 20 11104 1 1 32 PHE HB2 H 3.249 6.620 4.206 1.00 . A A . 32 PHE HB2 1 1 20 11105 1 1 32 PHE HB3 H 4.282 5.226 4.463 1.00 . A A . 32 PHE HB3 1 1 20 11106 1 1 32 PHE HD1 H 3.859 8.819 5.204 1.00 . A A . 32 PHE HD1 1 1 20 11107 1 1 32 PHE HD2 H 5.946 5.243 6.105 1.00 . A A . 32 PHE HD2 1 1 20 11108 1 1 32 PHE HE1 H 4.788 9.869 7.221 1.00 . A A . 32 PHE HE1 1 1 20 11109 1 1 32 PHE HE2 H 6.881 6.281 8.113 1.00 . A A . 32 PHE HE2 1 1 20 11110 1 1 32 PHE HZ H 6.305 8.602 8.675 1.00 . A A . 32 PHE HZ 1 1 20 11111 1 1 32 PHE N N 6.438 6.314 3.102 1.00 . A A . 32 PHE N 1 1 20 11112 1 1 32 PHE O O 3.676 8.417 2.164 1.00 . A A . 32 PHE O 1 1 20 11113 1 1 33 THR C C 6.316 10.272 0.769 1.00 . A A . 33 THR C 1 1 20 11114 1 1 33 THR CA C 5.804 10.178 2.212 1.00 . A A . 33 THR CA 1 1 20 11115 1 1 33 THR CB C 6.728 10.990 3.120 1.00 . A A . 33 THR CB 1 1 20 11116 1 1 33 THR CG2 C 6.467 12.481 2.967 1.00 . A A . 33 THR CG2 1 1 20 11117 1 1 33 THR H H 6.670 8.465 2.984 1.00 . A A . 33 THR H 1 1 20 11118 1 1 33 THR HA H 4.800 10.563 2.293 1.00 . A A . 33 THR HA 1 1 20 11119 1 1 33 THR HB H 7.750 10.774 2.842 1.00 . A A . 33 THR HB 1 1 20 11120 1 1 33 THR HG1 H 7.015 9.783 4.615 1.00 . A A . 33 THR HG1 1 1 20 11121 1 1 33 THR HG21 H 6.643 12.775 1.944 1.00 . A A . 33 THR HG21 1 1 20 11122 1 1 33 THR HG22 H 7.124 13.033 3.622 1.00 . A A . 33 THR HG22 1 1 20 11123 1 1 33 THR HG23 H 5.439 12.687 3.229 1.00 . A A . 33 THR HG23 1 1 20 11124 1 1 33 THR N N 5.827 8.816 2.620 1.00 . A A . 33 THR N 1 1 20 11125 1 1 33 THR O O 7.483 9.947 0.485 1.00 . A A . 33 THR O 1 1 20 11126 1 1 33 THR OG1 O 6.502 10.599 4.491 1.00 . A A . 33 THR OG1 1 1 20 11127 1 1 34 PHE C C 4.826 11.822 -2.108 1.00 . A A . 34 PHE C 1 1 20 11128 1 1 34 PHE CA C 5.805 10.829 -1.514 1.00 . A A . 34 PHE CA 1 1 20 11129 1 1 34 PHE CB C 5.705 9.459 -2.215 1.00 . A A . 34 PHE CB 1 1 20 11130 1 1 34 PHE CD1 C 5.261 9.498 -4.685 1.00 . A A . 34 PHE CD1 1 1 20 11131 1 1 34 PHE CD2 C 7.512 9.283 -3.941 1.00 . A A . 34 PHE CD2 1 1 20 11132 1 1 34 PHE CE1 C 5.686 9.444 -5.996 1.00 . A A . 34 PHE CE1 1 1 20 11133 1 1 34 PHE CE2 C 7.946 9.230 -5.248 1.00 . A A . 34 PHE CE2 1 1 20 11134 1 1 34 PHE CG C 6.167 9.420 -3.643 1.00 . A A . 34 PHE CG 1 1 20 11135 1 1 34 PHE CZ C 7.032 9.311 -6.278 1.00 . A A . 34 PHE CZ 1 1 20 11136 1 1 34 PHE H H 4.543 10.889 0.144 1.00 . A A . 34 PHE H 1 1 20 11137 1 1 34 PHE HA H 6.812 11.208 -1.587 1.00 . A A . 34 PHE HA 1 1 20 11138 1 1 34 PHE HB2 H 6.292 8.740 -1.665 1.00 . A A . 34 PHE HB2 1 1 20 11139 1 1 34 PHE HB3 H 4.671 9.149 -2.192 1.00 . A A . 34 PHE HB3 1 1 20 11140 1 1 34 PHE HD1 H 4.209 9.606 -4.460 1.00 . A A . 34 PHE HD1 1 1 20 11141 1 1 34 PHE HD2 H 8.227 9.222 -3.133 1.00 . A A . 34 PHE HD2 1 1 20 11142 1 1 34 PHE HE1 H 4.968 9.505 -6.801 1.00 . A A . 34 PHE HE1 1 1 20 11143 1 1 34 PHE HE2 H 8.998 9.126 -5.465 1.00 . A A . 34 PHE HE2 1 1 20 11144 1 1 34 PHE HZ H 7.369 9.268 -7.303 1.00 . A A . 34 PHE HZ 1 1 20 11145 1 1 34 PHE N N 5.463 10.676 -0.124 1.00 . A A . 34 PHE N 1 1 20 11146 1 1 34 PHE O O 3.615 11.627 -2.014 1.00 . A A . 34 PHE O 1 1 20 11147 1 1 35 THR C C 4.414 13.784 -4.747 1.00 . A A . 35 THR C 1 1 20 11148 1 1 35 THR CA C 4.486 13.919 -3.225 1.00 . A A . 35 THR CA 1 1 20 11149 1 1 35 THR CB C 5.007 15.318 -2.852 1.00 . A A . 35 THR CB 1 1 20 11150 1 1 35 THR CG2 C 4.049 16.401 -3.337 1.00 . A A . 35 THR CG2 1 1 20 11151 1 1 35 THR H H 6.306 12.984 -2.712 1.00 . A A . 35 THR H 1 1 20 11152 1 1 35 THR HA H 3.495 13.799 -2.814 1.00 . A A . 35 THR HA 1 1 20 11153 1 1 35 THR HB H 5.974 15.461 -3.308 1.00 . A A . 35 THR HB 1 1 20 11154 1 1 35 THR HG1 H 6.042 15.132 -1.210 1.00 . A A . 35 THR HG1 1 1 20 11155 1 1 35 THR HG21 H 3.087 16.265 -2.865 1.00 . A A . 35 THR HG21 1 1 20 11156 1 1 35 THR HG22 H 3.936 16.326 -4.409 1.00 . A A . 35 THR HG22 1 1 20 11157 1 1 35 THR HG23 H 4.443 17.374 -3.083 1.00 . A A . 35 THR HG23 1 1 20 11158 1 1 35 THR N N 5.329 12.888 -2.653 1.00 . A A . 35 THR N 1 1 20 11159 1 1 35 THR O O 4.396 12.664 -5.283 1.00 . A A . 35 THR O 1 1 20 11160 1 1 35 THR OG1 O 5.137 15.408 -1.413 1.00 . A A . 35 THR OG1 1 1 stop_ save_
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