NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | item_count |
374163 | 1e8r | cing | recoord | 4-filtered-FRED | STAR | entry | full | 577 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1e8r # This FRED archive file contains, for PDB entry <1e8r>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1e8r _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1e8r _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 5393.96 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 $ENDO_1_4_BETA_XYLANASE A . 1 1 stop_ save_ save_ENDO_1_4_BETA_XYLANASE _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "ENDO 1 4 BETA XYLANASE" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code MGNQQCNWYGTLYPLCVTTTNGWGWEDQRSCIARSTCAAQPAPFGIVGSG _Entity.Number_of_monomers 50 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 MET . 1 1 2 GLY . 1 1 3 ASN . 1 1 4 GLN . 1 1 5 GLN . 1 1 6 CYS . 1 1 7 ASN . 1 1 8 TRP . 1 1 9 TYR . 1 1 10 GLY . 1 1 11 THR . 1 1 12 LEU . 1 1 13 TYR . 1 1 14 PRO . 1 1 15 LEU . 1 1 16 CYS . 1 1 17 VAL . 1 1 18 THR . 1 1 19 THR . 1 1 20 THR . 1 1 21 ASN . 1 1 22 GLY . 1 1 23 TRP . 1 1 24 GLY . 1 1 25 TRP . 1 1 26 GLU . 1 1 27 ASP . 1 1 28 GLN . 1 1 29 ARG . 1 1 30 SER . 1 1 31 CYS . 1 1 32 ILE . 1 1 33 ALA . 1 1 34 ARG . 1 1 35 SER . 1 1 36 THR . 1 1 37 CYS . 1 1 38 ALA . 1 1 39 ALA . 1 1 40 GLN . 1 1 41 PRO . 1 1 42 ALA . 1 1 43 PRO . 1 1 44 PHE . 1 1 45 GLY . 1 1 46 ILE . 1 1 47 VAL . 1 1 48 GLY . 1 1 49 SER . 1 1 50 GLY . 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 MET 1 1 1 1 GLY 2 2 1 1 ASN 3 3 1 1 GLN 4 4 1 1 GLN 5 5 1 1 CYS 6 6 1 1 ASN 7 7 1 1 TRP 8 8 1 1 TYR 9 9 1 1 GLY 10 10 1 1 THR 11 11 1 1 LEU 12 12 1 1 TYR 13 13 1 1 PRO 14 14 1 1 LEU 15 15 1 1 CYS 16 16 1 1 VAL 17 17 1 1 THR 18 18 1 1 THR 19 19 1 1 THR 20 20 1 1 ASN 21 21 1 1 GLY 22 22 1 1 TRP 23 23 1 1 GLY 24 24 1 1 TRP 25 25 1 1 GLU 26 26 1 1 ASP 27 27 1 1 GLN 28 28 1 1 ARG 29 29 1 1 SER 30 30 1 1 CYS 31 31 1 1 ILE 32 32 1 1 ALA 33 33 1 1 ARG 34 34 1 1 SER 35 35 1 1 THR 36 36 1 1 CYS 37 37 1 1 ALA 38 38 1 1 ALA 39 39 1 1 GLN 40 40 1 1 PRO 41 41 1 1 ALA 42 42 1 1 PRO 43 43 1 1 PHE 44 44 1 1 GLY 45 45 1 1 ILE 46 46 1 1 VAL 47 47 1 1 GLY 48 48 1 1 SER 49 49 1 1 GLY 50 50 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 332 1 . . . 1 1 333 1 . . . 1 1 334 1 . . . 1 1 335 1 . . . 1 1 336 1 . . . 1 1 337 1 . . . 1 1 338 1 . . . 1 1 339 1 . . . 1 1 340 1 . . . 1 1 341 1 . . . 1 1 342 1 . . . 1 1 343 1 . . . 1 1 344 1 . . . 1 1 345 1 . . . 1 1 346 1 . . . 1 1 347 1 . . . 1 1 348 1 . . . 1 1 349 1 . . . 1 1 350 1 . . . 1 1 351 1 . . . 1 1 352 1 . . . 1 1 353 1 . . . 1 1 354 1 . . . 1 1 355 1 . . . 1 1 356 1 . . . 1 1 357 1 . . . 1 1 358 1 . . . 1 1 359 1 . . . 1 1 360 1 . . . 1 1 361 1 . . . 1 1 362 1 . . . 1 1 363 1 . . . 1 1 364 1 . . . 1 1 365 1 . . . 1 1 366 1 . . . 1 1 367 1 . . . 1 1 368 1 . . . 1 1 369 1 . . . 1 1 370 1 . . . 1 1 371 1 . . . 1 1 372 1 . . . 1 1 373 1 . . . 1 1 374 1 . . . 1 1 375 1 . . . 1 1 376 1 . . . 1 1 377 1 . . . 1 1 378 1 . . . 1 1 379 1 . . . 1 1 380 1 . . . 1 1 381 1 . . . 1 1 382 1 . . . 1 1 383 1 . . . 1 1 384 1 . . . 1 1 385 1 . . . 1 1 386 1 . . . 1 1 387 1 . . . 1 1 388 1 . . . 1 1 389 1 . . . 1 1 390 1 . . . 1 1 391 1 . . . 1 1 392 1 . . . 1 1 393 1 . . . 1 1 394 1 . . . 1 1 395 1 . . . 1 1 396 1 . . . 1 1 397 1 . . . 1 1 398 1 . . . 1 1 399 1 . . . 1 1 400 1 . . . 1 1 401 1 . . . 1 1 402 1 . . . 1 1 403 1 . . . 1 1 404 1 . . . 1 1 405 1 . . . 1 1 406 1 . . . 1 1 407 1 . . . 1 1 408 1 . . . 1 1 409 1 . . . 1 1 410 1 . . . 1 1 411 1 . . . 1 1 412 1 . . . 1 1 413 1 . . . 1 1 414 1 . . . 1 1 415 1 . . . 1 1 416 1 . . . 1 1 417 1 . . . 1 1 418 1 . . . 1 1 419 1 . . . 1 1 420 1 . . . 1 1 421 1 . . . 1 1 422 1 . . . 1 1 423 1 . . . 1 1 424 1 . . . 1 1 425 1 . . . 1 1 426 1 . . . 1 1 427 1 . . . 1 1 428 1 . . . 1 1 429 1 . . . 1 1 430 1 . . . 1 1 431 1 . . . 1 1 432 1 . . . 1 1 433 1 . . . 1 1 434 1 . . . 1 1 435 1 . . . 1 1 436 1 . . . 1 1 437 1 . . . 1 1 438 1 . . . 1 1 439 1 . . . 1 1 440 1 . . . 1 1 441 1 . . . 1 1 442 1 . . . 1 1 443 1 . . . 1 1 444 1 . . . 1 1 445 1 . . . 1 1 446 1 . . . 1 1 447 1 . . . 1 1 448 1 . . . 1 1 449 1 . . . 1 1 450 1 . . . 1 1 451 1 . . . 1 1 452 1 . . . 1 1 453 1 . . . 1 1 454 1 . . . 1 1 455 1 . . . 1 1 456 1 . . . 1 1 457 1 . . . 1 1 458 1 . . . 1 1 459 1 . . . 1 1 460 1 . . . 1 1 461 1 . . . 1 1 462 1 . . . 1 1 463 1 . . . 1 1 464 1 . . . 1 1 465 1 . . . 1 1 466 1 . . . 1 1 467 1 . . . 1 1 468 1 . . . 1 1 469 1 . . . 1 1 470 1 . . . 1 1 471 1 . . . 1 1 472 1 . . . 1 1 473 1 . . . 1 1 474 1 . . . 1 1 475 1 . . . 1 1 476 1 . . . 1 1 477 1 . . . 1 1 478 1 . . . 1 1 479 1 . . . 1 1 480 1 . . . 1 1 481 1 . . . 1 1 482 1 . . . 1 1 483 1 . . . 1 1 484 1 . . . 1 1 485 1 . . . 1 1 486 1 . . . 1 1 487 1 . . . 1 1 488 1 . . . 1 1 489 1 . . . 1 1 490 1 . . . 1 1 491 1 . . . 1 1 492 1 . . . 1 1 493 1 . . . 1 1 494 1 . . . 1 1 495 1 . . . 1 1 496 1 . . . 1 1 497 1 . . . 1 1 498 1 . . . 1 1 499 1 . . . 1 1 500 1 . . . 1 1 501 1 . . . 1 1 502 1 . . . 1 1 503 1 . . . 1 1 504 1 . . . 1 1 505 1 . . . 1 1 506 1 . . . 1 1 507 1 . . . 1 1 508 1 . . . 1 1 509 1 . . . 1 1 510 1 . . . 1 1 511 1 . . . 1 1 512 1 . . . 1 1 513 1 . . . 1 1 514 1 . . . 1 1 515 1 . . . 1 1 516 1 . . . 1 1 517 1 . . . 1 1 518 1 . . . 1 1 519 1 . . . 1 1 520 1 . . . 1 1 521 1 . . . 1 1 522 1 . . . 1 1 523 1 . . . 1 1 524 1 . . . 1 1 525 1 . . . 1 1 526 1 . . . 1 1 527 1 . . . 1 1 528 1 . . . 1 1 529 1 . . . 1 1 530 1 . . . 1 1 531 1 . . . 1 1 532 1 . . . 1 1 533 1 . . . 1 1 534 1 . . . 1 1 535 1 . . . 1 1 536 1 . . . 1 1 537 1 . . . 1 1 538 1 . . . 1 1 539 1 . . . 1 1 540 1 . . . 1 1 541 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 GLY H . 21 . HN 1 1 1 1 2 1 1 2 GLY QA . 21 . HA+ 1 1 2 1 1 1 1 1 MET HA . 20 . HA 1 1 2 1 2 1 1 2 GLY H . 21 . HN 1 1 3 1 1 1 1 3 ASN H . 22 . HN 1 1 3 1 2 1 1 3 ASN QB . 22 . HB+ 1 1 4 1 1 1 1 3 ASN HA . 22 . HA 1 1 4 1 2 1 1 3 ASN QB . 22 . HB+ 1 1 5 1 1 1 1 2 GLY QA . 21 . HA+ 1 1 5 1 2 1 1 3 ASN H . 22 . HN 1 1 6 1 1 1 1 4 GLN H . 23 . HN 1 1 6 1 2 1 1 4 GLN HB2 . 23 . HB2 1 1 7 1 1 1 1 4 GLN H . 23 . HN 1 1 7 1 2 1 1 4 GLN HB3 . 23 . HB1 1 1 8 1 1 1 1 4 GLN H . 23 . HN 1 1 8 1 2 1 1 4 GLN QG . 23 . HG+ 1 1 9 1 1 1 1 4 GLN HA . 23 . HA 1 1 9 1 2 1 1 4 GLN QG . 23 . HG+ 1 1 10 1 1 1 1 3 ASN HA . 22 . HA 1 1 10 1 2 1 1 4 GLN H . 23 . HN 1 1 11 1 1 1 1 3 ASN QB . 22 . HB+ 1 1 11 1 2 1 1 4 GLN H . 23 . HN 1 1 12 1 1 1 1 5 GLN H . 24 . HN 1 1 12 1 2 1 1 5 GLN QB . 24 . HB+ 1 1 13 1 1 1 1 5 GLN H . 24 . HN 1 1 13 1 2 1 1 5 GLN QG . 24 . HG+ 1 1 14 1 1 1 1 5 GLN HA . 24 . HA 1 1 14 1 2 1 1 5 GLN QB . 24 . HB+ 1 1 15 1 1 1 1 5 GLN HA . 24 . HA 1 1 15 1 2 1 1 5 GLN QG . 24 . HG+ 1 1 16 1 1 1 1 5 GLN QE . 24 . HE2+ 1 1 16 1 2 1 1 5 GLN QG . 24 . HG+ 1 1 17 1 1 1 1 4 GLN HA . 23 . HA 1 1 17 1 2 1 1 5 GLN H . 24 . HN 1 1 18 1 1 1 1 4 GLN HB2 . 23 . HB2 1 1 18 1 2 1 1 5 GLN H . 24 . HN 1 1 19 1 1 1 1 4 GLN HB3 . 23 . HB1 1 1 19 1 2 1 1 5 GLN H . 24 . HN 1 1 20 1 1 1 1 4 GLN QG . 23 . HG+ 1 1 20 1 2 1 1 5 GLN H . 24 . HN 1 1 21 1 1 1 1 6 CYS H . 25 . HN 1 1 21 1 2 1 1 6 CYS HB3 . 25 . HB1 1 1 22 1 1 1 1 6 CYS H . 25 . HN 1 1 22 1 2 1 1 6 CYS HB2 . 25 . HB2 1 1 23 1 1 1 1 5 GLN HA . 24 . HA 1 1 23 1 2 1 1 6 CYS H . 25 . HN 1 1 24 1 1 1 1 5 GLN QB . 24 . HB+ 1 1 24 1 2 1 1 6 CYS H . 25 . HN 1 1 25 1 1 1 1 5 GLN QG . 24 . HG+ 1 1 25 1 2 1 1 6 CYS H . 25 . HN 1 1 26 1 1 1 1 7 ASN H . 26 . HN 1 1 26 1 2 1 1 7 ASN HB2 . 26 . HB2 1 1 27 1 1 1 1 7 ASN H . 26 . HN 1 1 27 1 2 1 1 7 ASN HB3 . 26 . HB1 1 1 28 1 1 1 1 6 CYS HA . 25 . HA 1 1 28 1 2 1 1 7 ASN H . 26 . HN 1 1 29 1 1 1 1 6 CYS HB3 . 25 . HB1 1 1 29 1 2 1 1 7 ASN H . 26 . HN 1 1 30 1 1 1 1 6 CYS HB2 . 25 . HB2 1 1 30 1 2 1 1 7 ASN H . 26 . HN 1 1 31 1 1 1 1 8 TRP H . 27 . HN 1 1 31 1 2 1 1 8 TRP HB2 . 27 . HB2 1 1 32 1 1 1 1 8 TRP H . 27 . HN 1 1 32 1 2 1 1 8 TRP HB3 . 27 . HB1 1 1 33 1 1 1 1 8 TRP HA . 27 . HA 1 1 33 1 2 1 1 8 TRP HE3 . 27 . HE3 1 1 34 1 1 1 1 8 TRP HB2 . 27 . HB2 1 1 34 1 2 1 1 8 TRP HD1 . 27 . HD1 1 1 35 1 1 1 1 8 TRP HB3 . 27 . HB1 1 1 35 1 2 1 1 8 TRP HD1 . 27 . HD1 1 1 36 1 1 1 1 8 TRP HB2 . 27 . HB2 1 1 36 1 2 1 1 8 TRP HE3 . 27 . HE3 1 1 37 1 1 1 1 8 TRP HH2 . 27 . HH2 1 1 37 1 2 1 1 8 TRP HZ3 . 27 . HZ3 1 1 38 1 1 1 1 7 ASN HA . 26 . HA 1 1 38 1 2 1 1 8 TRP H . 27 . HN 1 1 39 1 1 1 1 7 ASN HB2 . 26 . HB2 1 1 39 1 2 1 1 8 TRP H . 27 . HN 1 1 40 1 1 1 1 9 TYR H . 28 . HN 1 1 40 1 2 1 1 9 TYR HA . 28 . HA 1 1 41 1 1 1 1 9 TYR H . 28 . HN 1 1 41 1 2 1 1 9 TYR QD . 28 . HD+ 1 1 42 1 1 1 1 9 TYR H . 28 . HN 1 1 42 1 2 1 1 9 TYR QE . 28 . HE+ 1 1 43 1 1 1 1 9 TYR HA . 28 . HA 1 1 43 1 2 1 1 9 TYR QD . 28 . HD+ 1 1 44 1 1 1 1 9 TYR HA . 28 . HA 1 1 44 1 2 1 1 9 TYR QE . 28 . HE+ 1 1 45 1 1 1 1 9 TYR HB2 . 28 . HB2 1 1 45 1 2 1 1 9 TYR QD . 28 . HD+ 1 1 46 1 1 1 1 9 TYR HB3 . 28 . HB1 1 1 46 1 2 1 1 9 TYR QD . 28 . HD+ 1 1 47 1 1 1 1 9 TYR HB2 . 28 . HB2 1 1 47 1 2 1 1 9 TYR QE . 28 . HE+ 1 1 48 1 1 1 1 9 TYR HB3 . 28 . HB1 1 1 48 1 2 1 1 9 TYR QE . 28 . HE+ 1 1 49 1 1 1 1 8 TRP HA . 27 . HA 1 1 49 1 2 1 1 9 TYR H . 28 . HN 1 1 50 1 1 1 1 9 TYR HA . 28 . HA 1 1 50 1 2 1 1 10 GLY H . 29 . HN 1 1 51 1 1 1 1 9 TYR HB2 . 28 . HB2 1 1 51 1 2 1 1 10 GLY H . 29 . HN 1 1 52 1 1 1 1 10 GLY H . 29 . HN 1 1 52 1 2 1 1 11 THR H . 30 . HN 1 1 53 1 1 1 1 11 THR H . 30 . HN 1 1 53 1 2 1 1 11 THR MG . 30 . HG2+ 1 1 54 1 1 1 1 11 THR HA . 30 . HA 1 1 54 1 2 1 1 11 THR MG . 30 . HG2+ 1 1 55 1 1 1 1 11 THR HB . 30 . HB 1 1 55 1 2 1 1 11 THR MG . 30 . HG2+ 1 1 56 1 1 1 1 10 GLY QA . 29 . HA+ 1 1 56 1 2 1 1 11 THR H . 30 . HN 1 1 57 1 1 1 1 12 LEU H . 31 . HN 1 1 57 1 2 1 1 12 LEU QB . 31 . HB+ 1 1 58 1 1 1 1 12 LEU H . 31 . HN 1 1 58 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 59 1 1 1 1 12 LEU HA . 31 . HA 1 1 59 1 2 1 1 12 LEU QB . 31 . HB+ 1 1 60 1 1 1 1 12 LEU HA . 31 . HA 1 1 60 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 61 1 1 1 1 12 LEU QB . 31 . HB+ 1 1 61 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 62 1 1 1 1 11 THR HA . 30 . HA 1 1 62 1 2 1 1 12 LEU H . 31 . HN 1 1 63 1 1 1 1 11 THR HB . 30 . HB 1 1 63 1 2 1 1 12 LEU H . 31 . HN 1 1 64 1 1 1 1 11 THR MG . 30 . HG2+ 1 1 64 1 2 1 1 12 LEU H . 31 . HN 1 1 65 1 1 1 1 13 TYR H . 32 . HN 1 1 65 1 2 1 1 13 TYR HB2 . 32 . HB2 1 1 66 1 1 1 1 13 TYR HA . 32 . HA 1 1 66 1 2 1 1 13 TYR QD . 32 . HD+ 1 1 67 1 1 1 1 13 TYR HA . 32 . HA 1 1 67 1 2 1 1 13 TYR QE . 32 . HE+ 1 1 68 1 1 1 1 13 TYR HB2 . 32 . HB2 1 1 68 1 2 1 1 13 TYR QD . 32 . HD+ 1 1 69 1 1 1 1 13 TYR HB2 . 32 . HB2 1 1 69 1 2 1 1 13 TYR QE . 32 . HE+ 1 1 70 1 1 1 1 13 TYR HB3 . 32 . HB1 1 1 70 1 2 1 1 13 TYR QD . 32 . HD+ 1 1 71 1 1 1 1 13 TYR HB3 . 32 . HB1 1 1 71 1 2 1 1 13 TYR QE . 32 . HE+ 1 1 72 1 1 1 1 12 LEU HA . 31 . HA 1 1 72 1 2 1 1 13 TYR H . 32 . HN 1 1 73 1 1 1 1 12 LEU QB . 31 . HB+ 1 1 73 1 2 1 1 13 TYR H . 32 . HN 1 1 74 1 1 1 1 12 LEU QD . 31 . HD++ 1 1 74 1 2 1 1 13 TYR H . 32 . HN 1 1 75 1 1 1 1 13 TYR HA . 32 . HA 1 1 75 1 2 1 1 14 PRO QD . 33 . HD+ 1 1 76 1 1 1 1 13 TYR HB2 . 32 . HB2 1 1 76 1 2 1 1 14 PRO QD . 33 . HD+ 1 1 77 1 1 1 1 13 TYR HB3 . 32 . HB1 1 1 77 1 2 1 1 14 PRO QD . 33 . HD+ 1 1 78 1 1 1 1 15 LEU H . 34 . HN 1 1 78 1 2 1 1 15 LEU QB . 34 . HB+ 1 1 79 1 1 1 1 15 LEU H . 34 . HN 1 1 79 1 2 1 1 15 LEU HG . 34 . HG 1 1 80 1 1 1 1 15 LEU H . 34 . HN 1 1 80 1 2 1 1 15 LEU QD . 34 . HD++ 1 1 81 1 1 1 1 15 LEU HA . 34 . HA 1 1 81 1 2 1 1 15 LEU QB . 34 . HB+ 1 1 82 1 1 1 1 15 LEU HA . 34 . HA 1 1 82 1 2 1 1 15 LEU HG . 34 . HG 1 1 83 1 1 1 1 15 LEU HA . 34 . HA 1 1 83 1 2 1 1 15 LEU QD . 34 . HD++ 1 1 84 1 1 1 1 14 PRO HA . 33 . HA 1 1 84 1 2 1 1 15 LEU H . 34 . HN 1 1 85 1 1 1 1 14 PRO QB . 33 . HB+ 1 1 85 1 2 1 1 15 LEU H . 34 . HN 1 1 86 1 1 1 1 14 PRO QG . 33 . HG+ 1 1 86 1 2 1 1 15 LEU H . 34 . HN 1 1 87 1 1 1 1 16 CYS H . 35 . HN 1 1 87 1 2 1 1 16 CYS QB . 35 . HB+ 1 1 88 1 1 1 1 15 LEU HA . 34 . HA 1 1 88 1 2 1 1 16 CYS H . 35 . HN 1 1 89 1 1 1 1 15 LEU QB . 34 . HB+ 1 1 89 1 2 1 1 16 CYS H . 35 . HN 1 1 90 1 1 1 1 15 LEU HG . 34 . HG 1 1 90 1 2 1 1 16 CYS H . 35 . HN 1 1 91 1 1 1 1 15 LEU QD . 34 . HD++ 1 1 91 1 2 1 1 16 CYS H . 35 . HN 1 1 92 1 1 1 1 15 LEU HG . 34 . HG 1 1 92 1 2 1 1 16 CYS HA . 35 . HA 1 1 93 1 1 1 1 17 VAL H . 36 . HN 1 1 93 1 2 1 1 17 VAL HB . 36 . HB 1 1 94 1 1 1 1 17 VAL H . 36 . HN 1 1 94 1 2 1 1 17 VAL MG1 . 36 . HG1+ 1 1 95 1 1 1 1 17 VAL H . 36 . HN 1 1 95 1 2 1 1 17 VAL MG2 . 36 . HG2+ 1 1 96 1 1 1 1 17 VAL HA . 36 . HA 1 1 96 1 2 1 1 17 VAL MG1 . 36 . HG1+ 1 1 97 1 1 1 1 17 VAL HA . 36 . HA 1 1 97 1 2 1 1 17 VAL MG2 . 36 . HG2+ 1 1 98 1 1 1 1 17 VAL HB . 36 . HB 1 1 98 1 2 1 1 17 VAL MG1 . 36 . HG1+ 1 1 99 1 1 1 1 17 VAL HB . 36 . HB 1 1 99 1 2 1 1 17 VAL MG2 . 36 . HG2+ 1 1 100 1 1 1 1 16 CYS HA . 35 . HA 1 1 100 1 2 1 1 17 VAL H . 36 . HN 1 1 101 1 1 1 1 16 CYS QB . 35 . HB+ 1 1 101 1 2 1 1 17 VAL H . 36 . HN 1 1 102 1 1 1 1 17 VAL H . 36 . HN 1 1 102 1 2 1 1 18 THR H . 37 . HN 1 1 103 1 1 1 1 18 THR H . 37 . HN 1 1 103 1 2 1 1 18 THR HB . 37 . HB 1 1 104 1 1 1 1 18 THR H . 37 . HN 1 1 104 1 2 1 1 18 THR MG . 37 . HG2+ 1 1 105 1 1 1 1 18 THR HA . 37 . HA 1 1 105 1 2 1 1 18 THR MG . 37 . HG2+ 1 1 106 1 1 1 1 18 THR HB . 37 . HB 1 1 106 1 2 1 1 18 THR MG . 37 . HG2+ 1 1 107 1 1 1 1 17 VAL HA . 36 . HA 1 1 107 1 2 1 1 18 THR H . 37 . HN 1 1 108 1 1 1 1 17 VAL HB . 36 . HB 1 1 108 1 2 1 1 18 THR H . 37 . HN 1 1 109 1 1 1 1 17 VAL MG1 . 36 . HG1+ 1 1 109 1 2 1 1 18 THR H . 37 . HN 1 1 110 1 1 1 1 17 VAL MG2 . 36 . HG2+ 1 1 110 1 2 1 1 18 THR H . 37 . HN 1 1 111 1 1 1 1 18 THR H . 37 . HN 1 1 111 1 2 1 1 19 THR H . 38 . HN 1 1 112 1 1 1 1 19 THR H . 38 . HN 1 1 112 1 2 1 1 19 THR HB . 38 . HB 1 1 113 1 1 1 1 19 THR H . 38 . HN 1 1 113 1 2 1 1 19 THR MG . 38 . HG2+ 1 1 114 1 1 1 1 19 THR HA . 38 . HA 1 1 114 1 2 1 1 19 THR MG . 38 . HG2+ 1 1 115 1 1 1 1 19 THR HB . 38 . HB 1 1 115 1 2 1 1 19 THR MG . 38 . HG2+ 1 1 116 1 1 1 1 18 THR HA . 37 . HA 1 1 116 1 2 1 1 19 THR H . 38 . HN 1 1 117 1 1 1 1 18 THR HB . 37 . HB 1 1 117 1 2 1 1 19 THR H . 38 . HN 1 1 118 1 1 1 1 18 THR MG . 37 . HG2+ 1 1 118 1 2 1 1 19 THR H . 38 . HN 1 1 119 1 1 1 1 20 THR H . 39 . HN 1 1 119 1 2 1 1 20 THR MG . 39 . HG2+ 1 1 120 1 1 1 1 20 THR HA . 39 . HA 1 1 120 1 2 1 1 20 THR MG . 39 . HG2+ 1 1 121 1 1 1 1 20 THR HB . 39 . HB 1 1 121 1 2 1 1 20 THR MG . 39 . HG2+ 1 1 122 1 1 1 1 19 THR MG . 38 . HG2+ 1 1 122 1 2 1 1 20 THR H . 39 . HN 1 1 123 1 1 1 1 20 THR H . 39 . HN 1 1 123 1 2 1 1 21 ASN H . 40 . HN 1 1 124 1 1 1 1 21 ASN H . 40 . HN 1 1 124 1 2 1 1 21 ASN QB . 40 . HB+ 1 1 125 1 1 1 1 21 ASN HA . 40 . HA 1 1 125 1 2 1 1 21 ASN QB . 40 . HB+ 1 1 126 1 1 1 1 20 THR HA . 39 . HA 1 1 126 1 2 1 1 21 ASN H . 40 . HN 1 1 127 1 1 1 1 20 THR MG . 39 . HG2+ 1 1 127 1 2 1 1 21 ASN QB . 40 . HB+ 1 1 128 1 1 1 1 21 ASN H . 40 . HN 1 1 128 1 2 1 1 22 GLY H . 41 . HN 1 1 129 1 1 1 1 22 GLY H . 41 . HN 1 1 129 1 2 1 1 22 GLY QA . 41 . HA+ 1 1 130 1 1 1 1 21 ASN HA . 40 . HA 1 1 130 1 2 1 1 22 GLY H . 41 . HN 1 1 131 1 1 1 1 21 ASN QB . 40 . HB+ 1 1 131 1 2 1 1 22 GLY H . 41 . HN 1 1 132 1 1 1 1 21 ASN QB . 40 . HB+ 1 1 132 1 2 1 1 22 GLY QA . 41 . HA+ 1 1 133 1 1 1 1 23 TRP H . 42 . HN 1 1 133 1 2 1 1 23 TRP HB2 . 42 . HB2 1 1 134 1 1 1 1 23 TRP H . 42 . HN 1 1 134 1 2 1 1 23 TRP HD1 . 42 . HD1 1 1 135 1 1 1 1 23 TRP HA . 42 . HA 1 1 135 1 2 1 1 23 TRP HD1 . 42 . HD1 1 1 136 1 1 1 1 23 TRP HA . 42 . HA 1 1 136 1 2 1 1 23 TRP HE3 . 42 . HE3 1 1 137 1 1 1 1 23 TRP HB2 . 42 . HB2 1 1 137 1 2 1 1 23 TRP HD1 . 42 . HD1 1 1 138 1 1 1 1 23 TRP HB3 . 42 . HB1 1 1 138 1 2 1 1 23 TRP HD1 . 42 . HD1 1 1 139 1 1 1 1 23 TRP HB2 . 42 . HB2 1 1 139 1 2 1 1 23 TRP HE3 . 42 . HE3 1 1 140 1 1 1 1 23 TRP HB3 . 42 . HB1 1 1 140 1 2 1 1 23 TRP HE3 . 42 . HE3 1 1 141 1 1 1 1 22 GLY QA . 41 . HA+ 1 1 141 1 2 1 1 23 TRP H . 42 . HN 1 1 142 1 1 1 1 23 TRP HA . 42 . HA 1 1 142 1 2 1 1 24 GLY H . 43 . HN 1 1 143 1 1 1 1 23 TRP HB2 . 42 . HB2 1 1 143 1 2 1 1 24 GLY H . 43 . HN 1 1 144 1 1 1 1 23 TRP HB3 . 42 . HB1 1 1 144 1 2 1 1 24 GLY H . 43 . HN 1 1 145 1 1 1 1 25 TRP H . 44 . HN 1 1 145 1 2 1 1 25 TRP HB2 . 44 . HB2 1 1 146 1 1 1 1 25 TRP H . 44 . HN 1 1 146 1 2 1 1 25 TRP HB3 . 44 . HB1 1 1 147 1 1 1 1 25 TRP HA . 44 . HA 1 1 147 1 2 1 1 25 TRP HD1 . 44 . HD1 1 1 148 1 1 1 1 25 TRP HA . 44 . HA 1 1 148 1 2 1 1 25 TRP HE3 . 44 . HE3 1 1 149 1 1 1 1 25 TRP HB2 . 44 . HB2 1 1 149 1 2 1 1 25 TRP HD1 . 44 . HD1 1 1 150 1 1 1 1 25 TRP HB3 . 44 . HB1 1 1 150 1 2 1 1 25 TRP HD1 . 44 . HD1 1 1 151 1 1 1 1 25 TRP HB2 . 44 . HB2 1 1 151 1 2 1 1 25 TRP HE3 . 44 . HE3 1 1 152 1 1 1 1 25 TRP HB3 . 44 . HB1 1 1 152 1 2 1 1 25 TRP HE3 . 44 . HE3 1 1 153 1 1 1 1 24 GLY QA . 43 . HA+ 1 1 153 1 2 1 1 25 TRP H . 44 . HN 1 1 154 1 1 1 1 26 GLU H . 45 . HN 1 1 154 1 2 1 1 26 GLU QB . 45 . HB+ 1 1 155 1 1 1 1 26 GLU H . 45 . HN 1 1 155 1 2 1 1 26 GLU QG . 45 . HG+ 1 1 156 1 1 1 1 26 GLU HA . 45 . HA 1 1 156 1 2 1 1 26 GLU QB . 45 . HB+ 1 1 157 1 1 1 1 26 GLU HA . 45 . HA 1 1 157 1 2 1 1 26 GLU QG . 45 . HG+ 1 1 158 1 1 1 1 25 TRP HA . 44 . HA 1 1 158 1 2 1 1 26 GLU H . 45 . HN 1 1 159 1 1 1 1 25 TRP HB2 . 44 . HB2 1 1 159 1 2 1 1 26 GLU H . 45 . HN 1 1 160 1 1 1 1 27 ASP H . 46 . HN 1 1 160 1 2 1 1 27 ASP HA . 46 . HA 1 1 161 1 1 1 1 27 ASP H . 46 . HN 1 1 161 1 2 1 1 27 ASP QB . 46 . HB+ 1 1 162 1 1 1 1 27 ASP HA . 46 . HA 1 1 162 1 2 1 1 27 ASP QB . 46 . HB+ 1 1 163 1 1 1 1 26 GLU HA . 45 . HA 1 1 163 1 2 1 1 27 ASP H . 46 . HN 1 1 164 1 1 1 1 26 GLU QB . 45 . HB+ 1 1 164 1 2 1 1 27 ASP H . 46 . HN 1 1 165 1 1 1 1 27 ASP H . 46 . HN 1 1 165 1 2 1 1 28 GLN H . 47 . HN 1 1 166 1 1 1 1 28 GLN H . 47 . HN 1 1 166 1 2 1 1 28 GLN HA . 47 . HA 1 1 167 1 1 1 1 28 GLN H . 47 . HN 1 1 167 1 2 1 1 28 GLN QB . 47 . HB+ 1 1 168 1 1 1 1 28 GLN H . 47 . HN 1 1 168 1 2 1 1 28 GLN QG . 47 . HG+ 1 1 169 1 1 1 1 28 GLN HA . 47 . HA 1 1 169 1 2 1 1 28 GLN QB . 47 . HB+ 1 1 170 1 1 1 1 28 GLN HA . 47 . HA 1 1 170 1 2 1 1 28 GLN QG . 47 . HG+ 1 1 171 1 1 1 1 28 GLN QE . 47 . HE2+ 1 1 171 1 2 1 1 28 GLN QG . 47 . HG+ 1 1 172 1 1 1 1 27 ASP HA . 46 . HA 1 1 172 1 2 1 1 28 GLN H . 47 . HN 1 1 173 1 1 1 1 27 ASP QB . 46 . HB+ 1 1 173 1 2 1 1 28 GLN H . 47 . HN 1 1 174 1 1 1 1 28 GLN H . 47 . HN 1 1 174 1 2 1 1 29 ARG H . 48 . HN 1 1 175 1 1 1 1 29 ARG H . 48 . HN 1 1 175 1 2 1 1 29 ARG QB . 48 . HB+ 1 1 176 1 1 1 1 29 ARG H . 48 . HN 1 1 176 1 2 1 1 29 ARG QG . 48 . HG+ 1 1 177 1 1 1 1 29 ARG H . 48 . HN 1 1 177 1 2 1 1 29 ARG QD . 48 . HD+ 1 1 178 1 1 1 1 29 ARG HA . 48 . HA 1 1 178 1 2 1 1 29 ARG QB . 48 . HB+ 1 1 179 1 1 1 1 29 ARG HA . 48 . HA 1 1 179 1 2 1 1 29 ARG QG . 48 . HG+ 1 1 180 1 1 1 1 29 ARG QB . 48 . HB+ 1 1 180 1 2 1 1 29 ARG QD . 48 . HD+ 1 1 181 1 1 1 1 29 ARG QB . 48 . HB+ 1 1 181 1 2 1 1 29 ARG HE . 48 . HE 1 1 182 1 1 1 1 29 ARG QD . 48 . HD+ 1 1 182 1 2 1 1 29 ARG QG . 48 . HG+ 1 1 183 1 1 1 1 29 ARG HE . 48 . HE 1 1 183 1 2 1 1 29 ARG QG . 48 . HG+ 1 1 184 1 1 1 1 28 GLN HA . 47 . HA 1 1 184 1 2 1 1 29 ARG H . 48 . HN 1 1 185 1 1 1 1 29 ARG H . 48 . HN 1 1 185 1 2 1 1 30 SER H . 49 . HN 1 1 186 1 1 1 1 30 SER H . 49 . HN 1 1 186 1 2 1 1 30 SER HB3 . 49 . HB1 1 1 187 1 1 1 1 30 SER H . 49 . HN 1 1 187 1 2 1 1 30 SER HB2 . 49 . HB2 1 1 188 1 1 1 1 29 ARG HA . 48 . HA 1 1 188 1 2 1 1 30 SER H . 49 . HN 1 1 189 1 1 1 1 29 ARG QB . 48 . HB+ 1 1 189 1 2 1 1 30 SER H . 49 . HN 1 1 190 1 1 1 1 29 ARG QG . 48 . HG+ 1 1 190 1 2 1 1 30 SER H . 49 . HN 1 1 191 1 1 1 1 31 CYS H . 50 . HN 1 1 191 1 2 1 1 31 CYS HB3 . 50 . HB1 1 1 192 1 1 1 1 31 CYS HA . 50 . HA 1 1 192 1 2 1 1 31 CYS HB3 . 50 . HB1 1 1 193 1 1 1 1 31 CYS HA . 50 . HA 1 1 193 1 2 1 1 31 CYS HB2 . 50 . HB2 1 1 194 1 1 1 1 30 SER HA . 49 . HA 1 1 194 1 2 1 1 31 CYS H . 50 . HN 1 1 195 1 1 1 1 30 SER HB3 . 49 . HB1 1 1 195 1 2 1 1 31 CYS H . 50 . HN 1 1 196 1 1 1 1 30 SER HB2 . 49 . HB2 1 1 196 1 2 1 1 31 CYS H . 50 . HN 1 1 197 1 1 1 1 32 ILE H . 51 . HN 1 1 197 1 2 1 1 32 ILE HB . 51 . HB 1 1 198 1 1 1 1 32 ILE H . 51 . HN 1 1 198 1 2 1 1 32 ILE QG . 51 . HG1+ 1 1 199 1 1 1 1 32 ILE H . 51 . HN 1 1 199 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 200 1 1 1 1 32 ILE HA . 51 . HA 1 1 200 1 2 1 1 32 ILE QG . 51 . HG1+ 1 1 201 1 1 1 1 32 ILE HA . 51 . HA 1 1 201 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 202 1 1 1 1 32 ILE HA . 51 . HA 1 1 202 1 2 1 1 32 ILE MD . 51 . HD1+ 1 1 203 1 1 1 1 32 ILE HB . 51 . HB 1 1 203 1 2 1 1 32 ILE QG . 51 . HG1+ 1 1 204 1 1 1 1 32 ILE HB . 51 . HB 1 1 204 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 205 1 1 1 1 32 ILE HB . 51 . HB 1 1 205 1 2 1 1 32 ILE MD . 51 . HD1+ 1 1 206 1 1 1 1 32 ILE QG . 51 . HG1+ 1 1 206 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 207 1 1 1 1 32 ILE MD . 51 . HD1+ 1 1 207 1 2 1 1 32 ILE QG . 51 . HG1+ 1 1 208 1 1 1 1 32 ILE MD . 51 . HD1+ 1 1 208 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 209 1 1 1 1 31 CYS HA . 50 . HA 1 1 209 1 2 1 1 32 ILE H . 51 . HN 1 1 210 1 1 1 1 31 CYS HB3 . 50 . HB1 1 1 210 1 2 1 1 32 ILE H . 51 . HN 1 1 211 1 1 1 1 31 CYS HB2 . 50 . HB2 1 1 211 1 2 1 1 32 ILE H . 51 . HN 1 1 212 1 1 1 1 33 ALA H . 52 . HN 1 1 212 1 2 1 1 33 ALA HA . 52 . HA 1 1 213 1 1 1 1 33 ALA H . 52 . HN 1 1 213 1 2 1 1 33 ALA MB . 52 . HB+ 1 1 214 1 1 1 1 33 ALA HA . 52 . HA 1 1 214 1 2 1 1 33 ALA MB . 52 . HB+ 1 1 215 1 1 1 1 32 ILE HA . 51 . HA 1 1 215 1 2 1 1 33 ALA H . 52 . HN 1 1 216 1 1 1 1 32 ILE HB . 51 . HB 1 1 216 1 2 1 1 33 ALA H . 52 . HN 1 1 217 1 1 1 1 32 ILE QG . 51 . HG1+ 1 1 217 1 2 1 1 33 ALA H . 52 . HN 1 1 218 1 1 1 1 32 ILE MG . 51 . HG2+ 1 1 218 1 2 1 1 33 ALA H . 52 . HN 1 1 219 1 1 1 1 32 ILE MD . 51 . HD1+ 1 1 219 1 2 1 1 33 ALA H . 52 . HN 1 1 220 1 1 1 1 32 ILE MG . 51 . HG2+ 1 1 220 1 2 1 1 33 ALA HA . 52 . HA 1 1 221 1 1 1 1 32 ILE MG . 51 . HG2+ 1 1 221 1 2 1 1 33 ALA MB . 52 . HB+ 1 1 222 1 1 1 1 33 ALA H . 52 . HN 1 1 222 1 2 1 1 34 ARG H . 53 . HN 1 1 223 1 1 1 1 34 ARG H . 53 . HN 1 1 223 1 2 1 1 34 ARG HA . 53 . HA 1 1 224 1 1 1 1 34 ARG H . 53 . HN 1 1 224 1 2 1 1 34 ARG QB . 53 . HB+ 1 1 225 1 1 1 1 34 ARG H . 53 . HN 1 1 225 1 2 1 1 34 ARG QG . 53 . HG+ 1 1 226 1 1 1 1 34 ARG H . 53 . HN 1 1 226 1 2 1 1 34 ARG QD . 53 . HD+ 1 1 227 1 1 1 1 34 ARG HA . 53 . HA 1 1 227 1 2 1 1 34 ARG QB . 53 . HB+ 1 1 228 1 1 1 1 34 ARG HA . 53 . HA 1 1 228 1 2 1 1 34 ARG QG . 53 . HG+ 1 1 229 1 1 1 1 34 ARG QB . 53 . HB+ 1 1 229 1 2 1 1 34 ARG QG . 53 . HG+ 1 1 230 1 1 1 1 34 ARG QB . 53 . HB+ 1 1 230 1 2 1 1 34 ARG QD . 53 . HD+ 1 1 231 1 1 1 1 34 ARG QD . 53 . HD+ 1 1 231 1 2 1 1 34 ARG QG . 53 . HG+ 1 1 232 1 1 1 1 33 ALA HA . 52 . HA 1 1 232 1 2 1 1 34 ARG H . 53 . HN 1 1 233 1 1 1 1 33 ALA MB . 52 . HB+ 1 1 233 1 2 1 1 34 ARG H . 53 . HN 1 1 234 1 1 1 1 34 ARG H . 53 . HN 1 1 234 1 2 1 1 35 SER H . 54 . HN 1 1 235 1 1 1 1 35 SER H . 54 . HN 1 1 235 1 2 1 1 35 SER HA . 54 . HA 1 1 236 1 1 1 1 35 SER H . 54 . HN 1 1 236 1 2 1 1 35 SER QB . 54 . HB+ 1 1 237 1 1 1 1 34 ARG HA . 53 . HA 1 1 237 1 2 1 1 35 SER H . 54 . HN 1 1 238 1 1 1 1 34 ARG QB . 53 . HB+ 1 1 238 1 2 1 1 35 SER H . 54 . HN 1 1 239 1 1 1 1 34 ARG QG . 53 . HG+ 1 1 239 1 2 1 1 35 SER H . 54 . HN 1 1 240 1 1 1 1 35 SER H . 54 . HN 1 1 240 1 2 1 1 36 THR H . 55 . HN 1 1 241 1 1 1 1 36 THR H . 55 . HN 1 1 241 1 2 1 1 36 THR HB . 55 . HB 1 1 242 1 1 1 1 36 THR H . 55 . HN 1 1 242 1 2 1 1 36 THR MG . 55 . HG2+ 1 1 243 1 1 1 1 36 THR HA . 55 . HA 1 1 243 1 2 1 1 36 THR HB . 55 . HB 1 1 244 1 1 1 1 36 THR HA . 55 . HA 1 1 244 1 2 1 1 36 THR MG . 55 . HG2+ 1 1 245 1 1 1 1 36 THR HB . 55 . HB 1 1 245 1 2 1 1 36 THR MG . 55 . HG2+ 1 1 246 1 1 1 1 35 SER QB . 54 . HB+ 1 1 246 1 2 1 1 36 THR H . 55 . HN 1 1 247 1 1 1 1 36 THR H . 55 . HN 1 1 247 1 2 1 1 37 CYS H . 56 . HN 1 1 248 1 1 1 1 37 CYS H . 56 . HN 1 1 248 1 2 1 1 37 CYS HB2 . 56 . HB2 1 1 249 1 1 1 1 37 CYS H . 56 . HN 1 1 249 1 2 1 1 37 CYS HB3 . 56 . HB1 1 1 250 1 1 1 1 36 THR HA . 55 . HA 1 1 250 1 2 1 1 37 CYS H . 56 . HN 1 1 251 1 1 1 1 36 THR HB . 55 . HB 1 1 251 1 2 1 1 37 CYS H . 56 . HN 1 1 252 1 1 1 1 36 THR MG . 55 . HG2+ 1 1 252 1 2 1 1 37 CYS H . 56 . HN 1 1 253 1 1 1 1 37 CYS H . 56 . HN 1 1 253 1 2 1 1 38 ALA H . 57 . HN 1 1 254 1 1 1 1 38 ALA H . 57 . HN 1 1 254 1 2 1 1 38 ALA MB . 57 . HB+ 1 1 255 1 1 1 1 38 ALA HA . 57 . HA 1 1 255 1 2 1 1 38 ALA MB . 57 . HB+ 1 1 256 1 1 1 1 37 CYS HA . 56 . HA 1 1 256 1 2 1 1 38 ALA H . 57 . HN 1 1 257 1 1 1 1 37 CYS HB2 . 56 . HB2 1 1 257 1 2 1 1 38 ALA H . 57 . HN 1 1 258 1 1 1 1 37 CYS HB3 . 56 . HB1 1 1 258 1 2 1 1 38 ALA H . 57 . HN 1 1 259 1 1 1 1 38 ALA H . 57 . HN 1 1 259 1 2 1 1 39 ALA H . 58 . HN 1 1 260 1 1 1 1 39 ALA H . 58 . HN 1 1 260 1 2 1 1 39 ALA MB . 58 . HB+ 1 1 261 1 1 1 1 39 ALA HA . 58 . HA 1 1 261 1 2 1 1 39 ALA MB . 58 . HB+ 1 1 262 1 1 1 1 38 ALA HA . 57 . HA 1 1 262 1 2 1 1 39 ALA H . 58 . HN 1 1 263 1 1 1 1 38 ALA MB . 57 . HB+ 1 1 263 1 2 1 1 39 ALA H . 58 . HN 1 1 264 1 1 1 1 40 GLN H . 59 . HN 1 1 264 1 2 1 1 40 GLN QB . 59 . HB+ 1 1 265 1 1 1 1 40 GLN H . 59 . HN 1 1 265 1 2 1 1 40 GLN QG . 59 . HG+ 1 1 266 1 1 1 1 40 GLN HA . 59 . HA 1 1 266 1 2 1 1 40 GLN QB . 59 . HB+ 1 1 267 1 1 1 1 40 GLN HA . 59 . HA 1 1 267 1 2 1 1 40 GLN QG . 59 . HG+ 1 1 268 1 1 1 1 40 GLN HA . 59 . HA 1 1 268 1 2 1 1 40 GLN QE . 59 . HE2+ 1 1 269 1 1 1 1 40 GLN QB . 59 . HB+ 1 1 269 1 2 1 1 40 GLN QG . 59 . HG+ 1 1 270 1 1 1 1 40 GLN QB . 59 . HB+ 1 1 270 1 2 1 1 40 GLN QE . 59 . HE2+ 1 1 271 1 1 1 1 40 GLN QE . 59 . HE2+ 1 1 271 1 2 1 1 40 GLN QG . 59 . HG+ 1 1 272 1 1 1 1 39 ALA HA . 58 . HA 1 1 272 1 2 1 1 40 GLN H . 59 . HN 1 1 273 1 1 1 1 39 ALA MB . 58 . HB+ 1 1 273 1 2 1 1 40 GLN H . 59 . HN 1 1 274 1 1 1 1 40 GLN HA . 59 . HA 1 1 274 1 2 1 1 41 PRO QD . 60 . HD+ 1 1 275 1 1 1 1 40 GLN QB . 59 . HB+ 1 1 275 1 2 1 1 41 PRO QD . 60 . HD+ 1 1 276 1 1 1 1 40 GLN QG . 59 . HG+ 1 1 276 1 2 1 1 41 PRO QD . 60 . HD+ 1 1 277 1 1 1 1 42 ALA H . 61 . HN 1 1 277 1 2 1 1 42 ALA MB . 61 . HB+ 1 1 278 1 1 1 1 42 ALA HA . 61 . HA 1 1 278 1 2 1 1 42 ALA MB . 61 . HB+ 1 1 279 1 1 1 1 41 PRO HA . 60 . HA 1 1 279 1 2 1 1 42 ALA H . 61 . HN 1 1 280 1 1 1 1 41 PRO QB . 60 . HB+ 1 1 280 1 2 1 1 42 ALA H . 61 . HN 1 1 281 1 1 1 1 42 ALA HA . 61 . HA 1 1 281 1 2 1 1 43 PRO HA . 62 . HA 1 1 282 1 1 1 1 42 ALA MB . 61 . HB+ 1 1 282 1 2 1 1 43 PRO HA . 62 . HA 1 1 283 1 1 1 1 42 ALA HA . 61 . HA 1 1 283 1 2 1 1 44 PHE H . 63 . HN 1 1 284 1 1 1 1 42 ALA MB . 61 . HB+ 1 1 284 1 2 1 1 44 PHE H . 63 . HN 1 1 285 1 1 1 1 44 PHE H . 63 . HN 1 1 285 1 2 1 1 44 PHE QB . 63 . HB+ 1 1 286 1 1 1 1 44 PHE H . 63 . HN 1 1 286 1 2 1 1 44 PHE QD . 63 . HD+ 1 1 287 1 1 1 1 44 PHE HA . 63 . HA 1 1 287 1 2 1 1 44 PHE QB . 63 . HB+ 1 1 288 1 1 1 1 44 PHE QB . 63 . HB+ 1 1 288 1 2 1 1 44 PHE QD . 63 . HD+ 1 1 289 1 1 1 1 43 PRO HA . 62 . HA 1 1 289 1 2 1 1 44 PHE H . 63 . HN 1 1 290 1 1 1 1 43 PRO QB . 62 . HB+ 1 1 290 1 2 1 1 44 PHE H . 63 . HN 1 1 291 1 1 1 1 43 PRO QD . 62 . HD+ 1 1 291 1 2 1 1 44 PHE H . 63 . HN 1 1 292 1 1 1 1 43 PRO QG . 62 . HG+ 1 1 292 1 2 1 1 44 PHE H . 63 . HN 1 1 293 1 1 1 1 43 PRO QG . 62 . HG+ 1 1 293 1 2 1 1 44 PHE QD . 63 . HD+ 1 1 294 1 1 1 1 43 PRO QG . 62 . HG+ 1 1 294 1 2 1 1 44 PHE QE . 63 . HE+ 1 1 295 1 1 1 1 45 GLY H . 64 . HN 1 1 295 1 2 1 1 45 GLY QA . 64 . HA+ 1 1 296 1 1 1 1 44 PHE HA . 63 . HA 1 1 296 1 2 1 1 45 GLY H . 64 . HN 1 1 297 1 1 1 1 44 PHE QB . 63 . HB+ 1 1 297 1 2 1 1 45 GLY H . 64 . HN 1 1 298 1 1 1 1 46 ILE H . 65 . HN 1 1 298 1 2 1 1 46 ILE HB . 65 . HB 1 1 299 1 1 1 1 46 ILE H . 65 . HN 1 1 299 1 2 1 1 46 ILE QG . 65 . HG1+ 1 1 300 1 1 1 1 46 ILE H . 65 . HN 1 1 300 1 2 1 1 46 ILE MG . 65 . HG2+ 1 1 301 1 1 1 1 46 ILE H . 65 . HN 1 1 301 1 2 1 1 46 ILE MD . 65 . HD1+ 1 1 302 1 1 1 1 46 ILE HA . 65 . HA 1 1 302 1 2 1 1 46 ILE QG . 65 . HG1+ 1 1 303 1 1 1 1 46 ILE HA . 65 . HA 1 1 303 1 2 1 1 46 ILE MD . 65 . HD1+ 1 1 304 1 1 1 1 46 ILE HB . 65 . HB 1 1 304 1 2 1 1 46 ILE QG . 65 . HG1+ 1 1 305 1 1 1 1 46 ILE HB . 65 . HB 1 1 305 1 2 1 1 46 ILE MG . 65 . HG2+ 1 1 306 1 1 1 1 46 ILE HB . 65 . HB 1 1 306 1 2 1 1 46 ILE MD . 65 . HD1+ 1 1 307 1 1 1 1 46 ILE MD . 65 . HD1+ 1 1 307 1 2 1 1 46 ILE MG . 65 . HG2+ 1 1 308 1 1 1 1 45 GLY QA . 64 . HA+ 1 1 308 1 2 1 1 46 ILE H . 65 . HN 1 1 309 1 1 1 1 47 VAL H . 66 . HN 1 1 309 1 2 1 1 47 VAL HB . 66 . HB 1 1 310 1 1 1 1 47 VAL H . 66 . HN 1 1 310 1 2 1 1 47 VAL MG2 . 66 . HG2+ 1 1 311 1 1 1 1 47 VAL H . 66 . HN 1 1 311 1 2 1 1 47 VAL MG1 . 66 . HG1+ 1 1 312 1 1 1 1 47 VAL HA . 66 . HA 1 1 312 1 2 1 1 47 VAL MG2 . 66 . HG2+ 1 1 313 1 1 1 1 47 VAL HA . 66 . HA 1 1 313 1 2 1 1 47 VAL MG1 . 66 . HG1+ 1 1 314 1 1 1 1 47 VAL HB . 66 . HB 1 1 314 1 2 1 1 47 VAL MG2 . 66 . HG2+ 1 1 315 1 1 1 1 47 VAL HB . 66 . HB 1 1 315 1 2 1 1 47 VAL MG1 . 66 . HG1+ 1 1 316 1 1 1 1 46 ILE HA . 65 . HA 1 1 316 1 2 1 1 47 VAL H . 66 . HN 1 1 317 1 1 1 1 46 ILE HB . 65 . HB 1 1 317 1 2 1 1 47 VAL H . 66 . HN 1 1 318 1 1 1 1 46 ILE MG . 65 . HG2+ 1 1 318 1 2 1 1 47 VAL H . 66 . HN 1 1 319 1 1 1 1 48 GLY H . 67 . HN 1 1 319 1 2 1 1 48 GLY QA . 67 . HA+ 1 1 320 1 1 1 1 47 VAL HA . 66 . HA 1 1 320 1 2 1 1 48 GLY H . 67 . HN 1 1 321 1 1 1 1 47 VAL HB . 66 . HB 1 1 321 1 2 1 1 48 GLY H . 67 . HN 1 1 322 1 1 1 1 47 VAL MG2 . 66 . HG2+ 1 1 322 1 2 1 1 48 GLY H . 67 . HN 1 1 323 1 1 1 1 47 VAL MG1 . 66 . HG1+ 1 1 323 1 2 1 1 48 GLY H . 67 . HN 1 1 324 1 1 1 1 49 SER H . 68 . HN 1 1 324 1 2 1 1 49 SER QB . 68 . HB+ 1 1 325 1 1 1 1 4 GLN HB2 . 23 . HB2 1 1 325 1 2 1 1 15 LEU QD . 34 . HD++ 1 1 326 1 1 1 1 4 GLN HB3 . 23 . HB1 1 1 326 1 2 1 1 15 LEU QD . 34 . HD++ 1 1 327 1 1 1 1 4 GLN HB2 . 23 . HB2 1 1 327 1 2 1 1 46 ILE MG . 65 . HG2+ 1 1 328 1 1 1 1 4 GLN HB3 . 23 . HB1 1 1 328 1 2 1 1 46 ILE MG . 65 . HG2+ 1 1 329 1 1 1 1 4 GLN QG . 23 . HG+ 1 1 329 1 2 1 1 46 ILE MG . 65 . HG2+ 1 1 330 1 1 1 1 4 GLN QE . 23 . HE2+ 1 1 330 1 2 1 1 46 ILE MG . 65 . HG2+ 1 1 331 1 1 1 1 4 GLN HA . 23 . HA 1 1 331 1 2 1 1 48 GLY QA . 67 . HA+ 1 1 332 1 1 1 1 5 GLN QB . 24 . HB+ 1 1 332 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 333 1 1 1 1 5 GLN QG . 24 . HG+ 1 1 333 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 334 1 1 1 1 5 GLN QE . 24 . HE2+ 1 1 334 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 335 1 1 1 1 5 GLN QG . 24 . HG+ 1 1 335 1 2 1 1 14 PRO HA . 33 . HA 1 1 336 1 1 1 1 5 GLN HA . 24 . HA 1 1 336 1 2 1 1 38 ALA MB . 57 . HB+ 1 1 337 1 1 1 1 5 GLN H . 24 . HN 1 1 337 1 2 1 1 47 VAL H . 66 . HN 1 1 338 1 1 1 1 5 GLN H . 24 . HN 1 1 338 1 2 1 1 48 GLY QA . 67 . HA+ 1 1 339 1 1 1 1 6 CYS H . 25 . HN 1 1 339 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 340 1 1 1 1 6 CYS HA . 25 . HA 1 1 340 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 341 1 1 1 1 6 CYS HB3 . 25 . HB1 1 1 341 1 2 1 1 12 LEU HA . 31 . HA 1 1 342 1 1 1 1 6 CYS HB2 . 25 . HB2 1 1 342 1 2 1 1 12 LEU HA . 31 . HA 1 1 343 1 1 1 1 6 CYS H . 25 . HN 1 1 343 1 2 1 1 13 TYR H . 32 . HN 1 1 344 1 1 1 1 6 CYS HB3 . 25 . HB1 1 1 344 1 2 1 1 13 TYR H . 32 . HN 1 1 345 1 1 1 1 6 CYS HB2 . 25 . HB2 1 1 345 1 2 1 1 13 TYR H . 32 . HN 1 1 346 1 1 1 1 6 CYS HB3 . 25 . HB1 1 1 346 1 2 1 1 32 ILE HB . 51 . HB 1 1 347 1 1 1 1 6 CYS HB3 . 25 . HB1 1 1 347 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 348 1 1 1 1 6 CYS HB2 . 25 . HB2 1 1 348 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 349 1 1 1 1 6 CYS HB3 . 25 . HB1 1 1 349 1 2 1 1 32 ILE MD . 51 . HD1+ 1 1 350 1 1 1 1 6 CYS HB2 . 25 . HB2 1 1 350 1 2 1 1 32 ILE MD . 51 . HD1+ 1 1 351 1 1 1 1 6 CYS H . 25 . HN 1 1 351 1 2 1 1 38 ALA MB . 57 . HB+ 1 1 352 1 1 1 1 6 CYS HA . 25 . HA 1 1 352 1 2 1 1 46 ILE HA . 65 . HA 1 1 353 1 1 1 1 6 CYS HA . 25 . HA 1 1 353 1 2 1 1 47 VAL H . 66 . HN 1 1 354 1 1 1 1 7 ASN QD . 26 . HD2+ 1 1 354 1 2 1 1 10 GLY H . 29 . HN 1 1 355 1 1 1 1 7 ASN H . 26 . HN 1 1 355 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 356 1 1 1 1 7 ASN HA . 26 . HA 1 1 356 1 2 1 1 12 LEU HA . 31 . HA 1 1 357 1 1 1 1 7 ASN HA . 26 . HA 1 1 357 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 358 1 1 1 1 7 ASN HB2 . 26 . HB2 1 1 358 1 2 1 1 12 LEU HA . 31 . HA 1 1 359 1 1 1 1 7 ASN HB2 . 26 . HB2 1 1 359 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 360 1 1 1 1 7 ASN HB3 . 26 . HB1 1 1 360 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 361 1 1 1 1 7 ASN QD . 26 . HD2+ 1 1 361 1 2 1 1 12 LEU QD . 31 . HD++ 1 1 362 1 1 1 1 7 ASN H . 26 . HN 1 1 362 1 2 1 1 45 GLY H . 64 . HN 1 1 363 1 1 1 1 7 ASN HB2 . 26 . HB2 1 1 363 1 2 1 1 45 GLY H . 64 . HN 1 1 364 1 1 1 1 7 ASN HB3 . 26 . HB1 1 1 364 1 2 1 1 45 GLY H . 64 . HN 1 1 365 1 1 1 1 7 ASN H . 26 . HN 1 1 365 1 2 1 1 46 ILE HA . 65 . HA 1 1 366 1 1 1 1 7 ASN H . 26 . HN 1 1 366 1 2 1 1 47 VAL H . 66 . HN 1 1 367 1 1 1 1 7 ASN H . 26 . HN 1 1 367 1 2 1 1 47 VAL MG2 . 66 . HG2+ 1 1 368 1 1 1 1 7 ASN HB2 . 26 . HB2 1 1 368 1 2 1 1 47 VAL MG2 . 66 . HG2+ 1 1 369 1 1 1 1 7 ASN HB2 . 26 . HB2 1 1 369 1 2 1 1 47 VAL MG1 . 66 . HG1+ 1 1 370 1 1 1 1 7 ASN HB3 . 26 . HB1 1 1 370 1 2 1 1 47 VAL MG2 . 66 . HG2+ 1 1 371 1 1 1 1 7 ASN HB3 . 26 . HB1 1 1 371 1 2 1 1 47 VAL MG1 . 66 . HG1+ 1 1 372 1 1 1 1 8 TRP HD1 . 27 . HD1 1 1 372 1 2 1 1 9 TYR QD . 28 . HD+ 1 1 373 1 1 1 1 8 TRP HE1 . 27 . HE1 1 1 373 1 2 1 1 9 TYR QD . 28 . HD+ 1 1 374 1 1 1 1 8 TRP HE1 . 27 . HE1 1 1 374 1 2 1 1 9 TYR QE . 28 . HE+ 1 1 375 1 1 1 1 8 TRP HZ2 . 27 . HZ2 1 1 375 1 2 1 1 9 TYR QD . 28 . HD+ 1 1 376 1 1 1 1 8 TRP HZ2 . 27 . HZ2 1 1 376 1 2 1 1 9 TYR QE . 28 . HE+ 1 1 377 1 1 1 1 8 TRP HZ3 . 27 . HZ3 1 1 377 1 2 1 1 9 TYR QE . 28 . HE+ 1 1 378 1 1 1 1 8 TRP HH2 . 27 . HH2 1 1 378 1 2 1 1 9 TYR QE . 28 . HE+ 1 1 379 1 1 1 1 8 TRP HA . 27 . HA 1 1 379 1 2 1 1 10 GLY H . 29 . HN 1 1 380 1 1 1 1 8 TRP H . 27 . HN 1 1 380 1 2 1 1 11 THR H . 30 . HN 1 1 381 1 1 1 1 8 TRP HB2 . 27 . HB2 1 1 381 1 2 1 1 13 TYR QD . 32 . HD+ 1 1 382 1 1 1 1 8 TRP HB2 . 27 . HB2 1 1 382 1 2 1 1 13 TYR QE . 32 . HE+ 1 1 383 1 1 1 1 8 TRP HB3 . 27 . HB1 1 1 383 1 2 1 1 13 TYR QD . 32 . HD+ 1 1 384 1 1 1 1 8 TRP HB3 . 27 . HB1 1 1 384 1 2 1 1 13 TYR QE . 32 . HE+ 1 1 385 1 1 1 1 8 TRP HZ2 . 27 . HZ2 1 1 385 1 2 1 1 23 TRP HE1 . 42 . HE1 1 1 386 1 1 1 1 8 TRP HE3 . 27 . HE3 1 1 386 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 387 1 1 1 1 8 TRP HE3 . 27 . HE3 1 1 387 1 2 1 1 32 ILE MD . 51 . HD1+ 1 1 388 1 1 1 1 8 TRP HZ3 . 27 . HZ3 1 1 388 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 389 1 1 1 1 8 TRP HZ3 . 27 . HZ3 1 1 389 1 2 1 1 32 ILE MD . 51 . HD1+ 1 1 390 1 1 1 1 8 TRP HE3 . 27 . HE3 1 1 390 1 2 1 1 36 THR MG . 55 . HG2+ 1 1 391 1 1 1 1 8 TRP HZ2 . 27 . HZ2 1 1 391 1 2 1 1 36 THR MG . 55 . HG2+ 1 1 392 1 1 1 1 8 TRP HZ3 . 27 . HZ3 1 1 392 1 2 1 1 36 THR MG . 55 . HG2+ 1 1 393 1 1 1 1 8 TRP HH2 . 27 . HH2 1 1 393 1 2 1 1 36 THR MG . 55 . HG2+ 1 1 394 1 1 1 1 8 TRP HE3 . 27 . HE3 1 1 394 1 2 1 1 37 CYS HA . 56 . HA 1 1 395 1 1 1 1 8 TRP HZ3 . 27 . HZ3 1 1 395 1 2 1 1 37 CYS HA . 56 . HA 1 1 396 1 1 1 1 8 TRP HA . 27 . HA 1 1 396 1 2 1 1 40 GLN QE . 59 . HE2+ 1 1 397 1 1 1 1 8 TRP HE3 . 27 . HE3 1 1 397 1 2 1 1 40 GLN QB . 59 . HB+ 1 1 398 1 1 1 1 8 TRP HE3 . 27 . HE3 1 1 398 1 2 1 1 40 GLN QG . 59 . HG+ 1 1 399 1 1 1 1 8 TRP HZ3 . 27 . HZ3 1 1 399 1 2 1 1 40 GLN QB . 59 . HB+ 1 1 400 1 1 1 1 8 TRP HZ3 . 27 . HZ3 1 1 400 1 2 1 1 40 GLN QG . 59 . HG+ 1 1 401 1 1 1 1 8 TRP HH2 . 27 . HH2 1 1 401 1 2 1 1 40 GLN QG . 59 . HG+ 1 1 402 1 1 1 1 8 TRP HA . 27 . HA 1 1 402 1 2 1 1 45 GLY H . 64 . HN 1 1 403 1 1 1 1 8 TRP HE3 . 27 . HE3 1 1 403 1 2 1 1 45 GLY H . 64 . HN 1 1 404 1 1 1 1 8 TRP HZ3 . 27 . HZ3 1 1 404 1 2 1 1 45 GLY H . 64 . HN 1 1 405 1 1 1 1 9 TYR QE . 28 . HE+ 1 1 405 1 2 1 1 40 GLN QB . 59 . HB+ 1 1 406 1 1 1 1 9 TYR QE . 28 . HE+ 1 1 406 1 2 1 1 40 GLN QG . 59 . HG+ 1 1 407 1 1 1 1 9 TYR QE . 28 . HE+ 1 1 407 1 2 1 1 41 PRO QD . 60 . HD+ 1 1 408 1 1 1 1 9 TYR H . 28 . HN 1 1 408 1 2 1 1 44 PHE HA . 63 . HA 1 1 409 1 1 1 1 9 TYR H . 28 . HN 1 1 409 1 2 1 1 44 PHE QB . 63 . HB+ 1 1 410 1 1 1 1 9 TYR H . 28 . HN 1 1 410 1 2 1 1 44 PHE QD . 63 . HD+ 1 1 411 1 1 1 1 9 TYR H . 28 . HN 1 1 411 1 2 1 1 44 PHE QE . 63 . HE+ 1 1 412 1 1 1 1 9 TYR HA . 28 . HA 1 1 412 1 2 1 1 44 PHE HA . 63 . HA 1 1 413 1 1 1 1 9 TYR HA . 28 . HA 1 1 413 1 2 1 1 44 PHE QD . 63 . HD+ 1 1 414 1 1 1 1 9 TYR HA . 28 . HA 1 1 414 1 2 1 1 44 PHE QE . 63 . HE+ 1 1 415 1 1 1 1 9 TYR HB2 . 28 . HB2 1 1 415 1 2 1 1 44 PHE QE . 63 . HE+ 1 1 416 1 1 1 1 9 TYR QD . 28 . HD+ 1 1 416 1 2 1 1 44 PHE QD . 63 . HD+ 1 1 417 1 1 1 1 9 TYR QD . 28 . HD+ 1 1 417 1 2 1 1 44 PHE QE . 63 . HE+ 1 1 418 1 1 1 1 9 TYR QD . 28 . HD+ 1 1 418 1 2 1 1 44 PHE HZ . 63 . HZ 1 1 419 1 1 1 1 9 TYR QE . 28 . HE+ 1 1 419 1 2 1 1 44 PHE QD . 63 . HD+ 1 1 420 1 1 1 1 10 GLY H . 29 . HN 1 1 420 1 2 1 1 44 PHE QD . 63 . HD+ 1 1 421 1 1 1 1 11 THR H . 30 . HN 1 1 421 1 2 1 1 13 TYR QE . 32 . HE+ 1 1 422 1 1 1 1 11 THR HB . 30 . HB 1 1 422 1 2 1 1 13 TYR QE . 32 . HE+ 1 1 423 1 1 1 1 11 THR MG . 30 . HG2+ 1 1 423 1 2 1 1 13 TYR QD . 32 . HD+ 1 1 424 1 1 1 1 11 THR MG . 30 . HG2+ 1 1 424 1 2 1 1 13 TYR QE . 32 . HE+ 1 1 425 1 1 1 1 12 LEU QD . 31 . HD++ 1 1 425 1 2 1 1 47 VAL H . 66 . HN 1 1 426 1 1 1 1 13 TYR QE . 32 . HE+ 1 1 426 1 2 1 1 23 TRP HZ3 . 42 . HZ3 1 1 427 1 1 1 1 13 TYR QE . 32 . HE+ 1 1 427 1 2 1 1 30 SER HB3 . 49 . HB1 1 1 428 1 1 1 1 13 TYR QE . 32 . HE+ 1 1 428 1 2 1 1 30 SER HB2 . 49 . HB2 1 1 429 1 1 1 1 13 TYR HB2 . 32 . HB2 1 1 429 1 2 1 1 31 CYS HA . 50 . HA 1 1 430 1 1 1 1 13 TYR HB3 . 32 . HB1 1 1 430 1 2 1 1 31 CYS HA . 50 . HA 1 1 431 1 1 1 1 13 TYR HB3 . 32 . HB1 1 1 431 1 2 1 1 32 ILE QG . 51 . HG1+ 1 1 432 1 1 1 1 13 TYR HB2 . 32 . HB2 1 1 432 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 433 1 1 1 1 13 TYR HB3 . 32 . HB1 1 1 433 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 434 1 1 1 1 13 TYR HB2 . 32 . HB2 1 1 434 1 2 1 1 32 ILE MD . 51 . HD1+ 1 1 435 1 1 1 1 13 TYR HB3 . 32 . HB1 1 1 435 1 2 1 1 32 ILE MD . 51 . HD1+ 1 1 436 1 1 1 1 13 TYR QD . 32 . HD+ 1 1 436 1 2 1 1 32 ILE QG . 51 . HG1+ 1 1 437 1 1 1 1 13 TYR QD . 32 . HD+ 1 1 437 1 2 1 1 32 ILE MD . 51 . HD1+ 1 1 438 1 1 1 1 13 TYR QE . 32 . HE+ 1 1 438 1 2 1 1 32 ILE MD . 51 . HD1+ 1 1 439 1 1 1 1 14 PRO QB . 33 . HB+ 1 1 439 1 2 1 1 31 CYS HA . 50 . HA 1 1 440 1 1 1 1 14 PRO QB . 33 . HB+ 1 1 440 1 2 1 1 31 CYS HB3 . 50 . HB1 1 1 441 1 1 1 1 14 PRO QB . 33 . HB+ 1 1 441 1 2 1 1 31 CYS HB2 . 50 . HB2 1 1 442 1 1 1 1 14 PRO QG . 33 . HG+ 1 1 442 1 2 1 1 31 CYS HA . 50 . HA 1 1 443 1 1 1 1 14 PRO QG . 33 . HG+ 1 1 443 1 2 1 1 31 CYS HB3 . 50 . HB1 1 1 444 1 1 1 1 14 PRO QD . 33 . HD+ 1 1 444 1 2 1 1 31 CYS HA . 50 . HA 1 1 445 1 1 1 1 15 LEU QD . 34 . HD++ 1 1 445 1 2 1 1 21 ASN H . 40 . HN 1 1 446 1 1 1 1 15 LEU HA . 34 . HA 1 1 446 1 2 1 1 32 ILE HB . 51 . HB 1 1 447 1 1 1 1 15 LEU HA . 34 . HA 1 1 447 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 448 1 1 1 1 15 LEU QD . 34 . HD++ 1 1 448 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 449 1 1 1 1 15 LEU HG . 34 . HG 1 1 449 1 2 1 1 34 ARG HA . 53 . HA 1 1 450 1 1 1 1 15 LEU QD . 34 . HD++ 1 1 450 1 2 1 1 34 ARG H . 53 . HN 1 1 451 1 1 1 1 15 LEU QD . 34 . HD++ 1 1 451 1 2 1 1 34 ARG HA . 53 . HA 1 1 452 1 1 1 1 15 LEU QD . 34 . HD++ 1 1 452 1 2 1 1 34 ARG QB . 53 . HB+ 1 1 453 1 1 1 1 15 LEU QD . 34 . HD++ 1 1 453 1 2 1 1 34 ARG QG . 53 . HG+ 1 1 454 1 1 1 1 15 LEU QD . 34 . HD++ 1 1 454 1 2 1 1 34 ARG QD . 53 . HD+ 1 1 455 1 1 1 1 15 LEU HA . 34 . HA 1 1 455 1 2 1 1 37 CYS HB2 . 56 . HB2 1 1 456 1 1 1 1 15 LEU HG . 34 . HG 1 1 456 1 2 1 1 37 CYS HB2 . 56 . HB2 1 1 457 1 1 1 1 15 LEU HG . 34 . HG 1 1 457 1 2 1 1 37 CYS HB3 . 56 . HB1 1 1 458 1 1 1 1 15 LEU QD . 34 . HD++ 1 1 458 1 2 1 1 37 CYS HB2 . 56 . HB2 1 1 459 1 1 1 1 15 LEU QD . 34 . HD++ 1 1 459 1 2 1 1 37 CYS HB3 . 56 . HB1 1 1 460 1 1 1 1 16 CYS QB . 35 . HB+ 1 1 460 1 2 1 1 19 THR H . 38 . HN 1 1 461 1 1 1 1 16 CYS HA . 35 . HA 1 1 461 1 2 1 1 31 CYS HB3 . 50 . HB1 1 1 462 1 1 1 1 16 CYS HA . 35 . HA 1 1 462 1 2 1 1 31 CYS HB2 . 50 . HB2 1 1 463 1 1 1 1 16 CYS QB . 35 . HB+ 1 1 463 1 2 1 1 32 ILE HA . 51 . HA 1 1 464 1 1 1 1 16 CYS H . 35 . HN 1 1 464 1 2 1 1 33 ALA MB . 52 . HB+ 1 1 465 1 1 1 1 16 CYS QB . 35 . HB+ 1 1 465 1 2 1 1 33 ALA HA . 52 . HA 1 1 466 1 1 1 1 16 CYS QB . 35 . HB+ 1 1 466 1 2 1 1 33 ALA MB . 52 . HB+ 1 1 467 1 1 1 1 16 CYS H . 35 . HN 1 1 467 1 2 1 1 34 ARG H . 53 . HN 1 1 468 1 1 1 1 17 VAL H . 36 . HN 1 1 468 1 2 1 1 19 THR H . 38 . HN 1 1 469 1 1 1 1 17 VAL MG2 . 36 . HG2+ 1 1 469 1 2 1 1 34 ARG HA . 53 . HA 1 1 470 1 1 1 1 17 VAL MG2 . 36 . HG2+ 1 1 470 1 2 1 1 34 ARG QB . 53 . HB+ 1 1 471 1 1 1 1 17 VAL MG2 . 36 . HG2+ 1 1 471 1 2 1 1 34 ARG QD . 53 . HD+ 1 1 472 1 1 1 1 18 THR HA . 37 . HA 1 1 472 1 2 1 1 21 ASN H . 40 . HN 1 1 473 1 1 1 1 18 THR HA . 37 . HA 1 1 473 1 2 1 1 21 ASN QB . 40 . HB+ 1 1 474 1 1 1 1 19 THR MG . 38 . HG2+ 1 1 474 1 2 1 1 21 ASN H . 40 . HN 1 1 475 1 1 1 1 19 THR MG . 38 . HG2+ 1 1 475 1 2 1 1 21 ASN QB . 40 . HB+ 1 1 476 1 1 1 1 19 THR MG . 38 . HG2+ 1 1 476 1 2 1 1 24 GLY QA . 43 . HA+ 1 1 477 1 1 1 1 20 THR H . 39 . HN 1 1 477 1 2 1 1 33 ALA MB . 52 . HB+ 1 1 478 1 1 1 1 20 THR HA . 39 . HA 1 1 478 1 2 1 1 33 ALA HA . 52 . HA 1 1 479 1 1 1 1 20 THR HA . 39 . HA 1 1 479 1 2 1 1 33 ALA MB . 52 . HB+ 1 1 480 1 1 1 1 21 ASN H . 40 . HN 1 1 480 1 2 1 1 33 ALA MB . 52 . HB+ 1 1 481 1 1 1 1 21 ASN QB . 40 . HB+ 1 1 481 1 2 1 1 33 ALA MB . 52 . HB+ 1 1 482 1 1 1 1 22 GLY H . 41 . HN 1 1 482 1 2 1 1 33 ALA MB . 52 . HB+ 1 1 483 1 1 1 1 22 GLY QA . 41 . HA+ 1 1 483 1 2 1 1 33 ALA MB . 52 . HB+ 1 1 484 1 1 1 1 22 GLY H . 41 . HN 1 1 484 1 2 1 1 36 THR HB . 55 . HB 1 1 485 1 1 1 1 22 GLY QA . 41 . HA+ 1 1 485 1 2 1 1 36 THR MG . 55 . HG2+ 1 1 486 1 1 1 1 23 TRP HE3 . 42 . HE3 1 1 486 1 2 1 1 24 GLY H . 43 . HN 1 1 487 1 1 1 1 23 TRP HZ3 . 42 . HZ3 1 1 487 1 2 1 1 30 SER HB3 . 49 . HB1 1 1 488 1 1 1 1 23 TRP HZ3 . 42 . HZ3 1 1 488 1 2 1 1 30 SER HB2 . 49 . HB2 1 1 489 1 1 1 1 23 TRP HA . 42 . HA 1 1 489 1 2 1 1 32 ILE HA . 51 . HA 1 1 490 1 1 1 1 23 TRP HA . 42 . HA 1 1 490 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 491 1 1 1 1 23 TRP HE3 . 42 . HE3 1 1 491 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 492 1 1 1 1 23 TRP HZ3 . 42 . HZ3 1 1 492 1 2 1 1 32 ILE MD . 51 . HD1+ 1 1 493 1 1 1 1 23 TRP HZ3 . 42 . HZ3 1 1 493 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 494 1 1 1 1 23 TRP HD1 . 42 . HD1 1 1 494 1 2 1 1 32 ILE MG . 51 . HG2+ 1 1 495 1 1 1 1 23 TRP HA . 42 . HA 1 1 495 1 2 1 1 33 ALA H . 52 . HN 1 1 496 1 1 1 1 24 GLY H . 43 . HN 1 1 496 1 2 1 1 31 CYS H . 50 . HN 1 1 497 1 1 1 1 24 GLY H . 43 . HN 1 1 497 1 2 1 1 33 ALA HA . 52 . HA 1 1 498 1 1 1 1 25 TRP HE3 . 44 . HE3 1 1 498 1 2 1 1 26 GLU H . 45 . HN 1 1 499 1 1 1 1 25 TRP HD1 . 44 . HD1 1 1 499 1 2 1 1 28 GLN HA . 47 . HA 1 1 500 1 1 1 1 25 TRP HE1 . 44 . HE1 1 1 500 1 2 1 1 28 GLN H . 47 . HN 1 1 501 1 1 1 1 25 TRP HE1 . 44 . HE1 1 1 501 1 2 1 1 28 GLN HA . 47 . HA 1 1 502 1 1 1 1 25 TRP HE1 . 44 . HE1 1 1 502 1 2 1 1 28 GLN QG . 47 . HG+ 1 1 503 1 1 1 1 25 TRP HA . 44 . HA 1 1 503 1 2 1 1 30 SER HA . 49 . HA 1 1 504 1 1 1 1 25 TRP HD1 . 44 . HD1 1 1 504 1 2 1 1 30 SER HA . 49 . HA 1 1 505 1 1 1 1 25 TRP HE3 . 44 . HE3 1 1 505 1 2 1 1 30 SER H . 49 . HN 1 1 506 1 1 1 1 25 TRP HE3 . 44 . HE3 1 1 506 1 2 1 1 30 SER HA . 49 . HA 1 1 507 1 1 1 1 25 TRP HE3 . 44 . HE3 1 1 507 1 2 1 1 30 SER HB3 . 49 . HB1 1 1 508 1 1 1 1 25 TRP HE3 . 44 . HE3 1 1 508 1 2 1 1 30 SER HB2 . 49 . HB2 1 1 509 1 1 1 1 25 TRP HZ3 . 44 . HZ3 1 1 509 1 2 1 1 30 SER HA . 49 . HA 1 1 510 1 1 1 1 25 TRP HA . 44 . HA 1 1 510 1 2 1 1 31 CYS H . 50 . HN 1 1 511 1 1 1 1 26 GLU H . 45 . HN 1 1 511 1 2 1 1 29 ARG H . 48 . HN 1 1 512 1 1 1 1 26 GLU H . 45 . HN 1 1 512 1 2 1 1 30 SER HA . 49 . HA 1 1 513 1 1 1 1 27 ASP H . 46 . HN 1 1 513 1 2 1 1 29 ARG H . 48 . HN 1 1 514 1 1 1 1 32 ILE QG . 51 . HG1+ 1 1 514 1 2 1 1 36 THR HB . 55 . HB 1 1 515 1 1 1 1 32 ILE MG . 51 . HG2+ 1 1 515 1 2 1 1 36 THR MG . 55 . HG2+ 1 1 516 1 1 1 1 32 ILE MG . 51 . HG2+ 1 1 516 1 2 1 1 36 THR HB . 55 . HB 1 1 517 1 1 1 1 32 ILE MD . 51 . HD1+ 1 1 517 1 2 1 1 36 THR HB . 55 . HB 1 1 518 1 1 1 1 32 ILE MD . 51 . HD1+ 1 1 518 1 2 1 1 36 THR MG . 55 . HG2+ 1 1 519 1 1 1 1 32 ILE HB . 51 . HB 1 1 519 1 2 1 1 37 CYS HB2 . 56 . HB2 1 1 520 1 1 1 1 32 ILE MG . 51 . HG2+ 1 1 520 1 2 1 1 37 CYS H . 56 . HN 1 1 521 1 1 1 1 32 ILE MG . 51 . HG2+ 1 1 521 1 2 1 1 37 CYS HA . 56 . HA 1 1 522 1 1 1 1 32 ILE MG . 51 . HG2+ 1 1 522 1 2 1 1 37 CYS HB2 . 56 . HB2 1 1 523 1 1 1 1 32 ILE MG . 51 . HG2+ 1 1 523 1 2 1 1 37 CYS HB3 . 56 . HB1 1 1 524 1 1 1 1 33 ALA MB . 52 . HB+ 1 1 524 1 2 1 1 35 SER H . 54 . HN 1 1 525 1 1 1 1 33 ALA H . 52 . HN 1 1 525 1 2 1 1 36 THR HB . 55 . HB 1 1 526 1 1 1 1 33 ALA MB . 52 . HB+ 1 1 526 1 2 1 1 36 THR H . 55 . HN 1 1 527 1 1 1 1 33 ALA MB . 52 . HB+ 1 1 527 1 2 1 1 36 THR HB . 55 . HB 1 1 528 1 1 1 1 34 ARG HA . 53 . HA 1 1 528 1 2 1 1 37 CYS HB2 . 56 . HB2 1 1 529 1 1 1 1 34 ARG HA . 53 . HA 1 1 529 1 2 1 1 37 CYS HB3 . 56 . HB1 1 1 530 1 1 1 1 35 SER HA . 54 . HA 1 1 530 1 2 1 1 38 ALA H . 57 . HN 1 1 531 1 1 1 1 35 SER HA . 54 . HA 1 1 531 1 2 1 1 38 ALA MB . 57 . HB+ 1 1 532 1 1 1 1 36 THR H . 55 . HN 1 1 532 1 2 1 1 38 ALA H . 57 . HN 1 1 533 1 1 1 1 37 CYS HB2 . 56 . HB2 1 1 533 1 2 1 1 46 ILE QG . 65 . HG1+ 1 1 534 1 1 1 1 37 CYS HB3 . 56 . HB1 1 1 534 1 2 1 1 46 ILE QG . 65 . HG1+ 1 1 535 1 1 1 1 38 ALA H . 57 . HN 1 1 535 1 2 1 1 40 GLN H . 59 . HN 1 1 536 1 1 1 1 38 ALA MB . 57 . HB+ 1 1 536 1 2 1 1 46 ILE H . 65 . HN 1 1 537 1 1 1 1 38 ALA HA . 57 . HA 1 1 537 1 2 1 1 46 ILE H . 65 . HN 1 1 538 1 1 1 1 40 GLN H . 59 . HN 1 1 538 1 2 1 1 45 GLY H . 64 . HN 1 1 539 1 1 1 1 41 PRO QD . 60 . HD+ 1 1 539 1 2 1 1 44 PHE QB . 63 . HB+ 1 1 540 1 1 1 1 41 PRO QD . 60 . HD+ 1 1 540 1 2 1 1 44 PHE QD . 63 . HD+ 1 1 541 1 1 1 1 44 PHE QD . 63 . HD+ 1 1 541 1 2 1 1 45 GLY H . 64 . HN 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 . . . . . 2.8 1.9 2.8 1 1 2 1 . . . . . 5.3 1.9 5.3 1 1 3 1 . . . . . 4.0 1.9 4.0 1 1 4 1 . . . . . 3.2 1.9 3.2 1 1 5 1 . . . . . 3.6 1.9 3.6 1 1 6 1 . . . . . 3.2 1.9 3.2 1 1 7 1 . . . . . 4.0 1.9 4.0 1 1 8 1 . . . . . 2.8 1.9 2.8 1 1 9 1 . . . . . 3.6 1.9 3.6 1 1 10 1 . . . . . 2.5 1.9 2.5 1 1 11 1 . . . . . 3.6 1.9 3.6 1 1 12 1 . . . . . 4.0 1.9 4.0 1 1 13 1 . . . . . 4.0 1.9 4.0 1 1 14 1 . . . . . 3.6 1.9 3.6 1 1 15 1 . . . . . 3.6 1.9 3.6 1 1 16 1 . . . . . 4.5 1.9 4.5 1 1 17 1 . . . . . 2.4 1.9 2.4 1 1 18 1 . . . . . 3.6 1.9 3.6 1 1 19 1 . . . . . 4.5 1.9 4.5 1 1 20 1 . . . . . 4.0 1.9 4.0 1 1 21 1 . . . . . 3.6 1.9 3.6 1 1 22 1 . . . . . 2.5 1.9 2.5 1 1 23 1 . . . . . 2.5 1.9 2.5 1 1 24 1 . . . . . 4.5 1.9 4.5 1 1 25 1 . . . . . 2.8 1.9 2.8 1 1 26 1 . . . . . 3.6 1.9 3.6 1 1 27 1 . . . . . 3.2 1.9 3.2 1 1 28 1 . . . . . 2.4 1.9 2.4 1 1 29 1 . . . . . 5.3 1.9 5.3 1 1 30 1 . . . . . 5.3 1.9 5.3 1 1 31 1 . . . . . 3.2 1.9 3.2 1 1 32 1 . . . . . 3.2 1.9 3.2 1 1 33 1 . . . . . 3.2 1.9 3.2 1 1 34 1 . . . . . 3.2 1.9 3.2 1 1 35 1 . . . . . 2.8 1.9 2.8 1 1 36 1 . . . . . 3.2 1.9 3.2 1 1 37 1 . . . . . 2.5 1.9 2.5 1 1 38 1 . . . . . 2.4 1.9 2.4 1 1 39 1 . . . . . 5.3 1.9 5.3 1 1 40 1 . . . . . 2.5 1.9 2.5 1 1 41 1 . . . . . 3.6 1.9 3.6 1 1 42 1 . . . . . 5.3 1.9 5.3 1 1 43 1 . . . . . 2.8 1.9 2.8 1 1 44 1 . . . . . 5.0 1.9 5.0 1 1 45 1 . . . . . 2.8 1.9 2.8 1 1 46 1 . . . . . 2.5 1.9 2.5 1 1 47 1 . . . . . 4.5 1.9 4.5 1 1 48 1 . . . . . 5.0 1.9 5.0 1 1 49 1 . . . . . 2.4 1.9 2.4 1 1 50 1 . . . . . 3.2 1.9 3.2 1 1 51 1 . . . . . 4.0 1.9 4.0 1 1 52 1 . . . . . 2.8 1.9 2.8 1 1 53 1 . . . . . 4.5 1.9 4.5 1 1 54 1 . . . . . 3.2 1.9 3.2 1 1 55 1 . . . . . 3.2 1.9 3.2 1 1 56 1 . . . . . 4.5 1.9 4.5 1 1 57 1 . . . . . 2.4 1.9 2.4 1 1 58 1 . . . . . 3.2 1.9 3.2 1 1 59 1 . . . . . 2.5 1.9 2.5 1 1 60 1 . . . . . 2.4 1.9 2.4 1 1 61 1 . . . . . 2.4 1.9 2.4 1 1 62 1 . . . . . 4.5 1.9 4.5 1 1 63 1 . . . . . 4.0 1.9 4.0 1 1 64 1 . . . . . 3.2 1.9 3.2 1 1 65 1 . . . . . 3.6 1.9 3.6 1 1 66 1 . . . . . 3.6 1.9 3.6 1 1 67 1 . . . . . 5.3 1.9 5.3 1 1 68 1 . . . . . 2.8 1.9 2.8 1 1 69 1 . . . . . 5.0 1.9 5.0 1 1 70 1 . . . . . 2.8 1.9 2.8 1 1 71 1 . . . . . 4.5 1.9 4.5 1 1 72 1 . . . . . 2.4 1.9 2.4 1 1 73 1 . . . . . 3.6 1.9 3.6 1 1 74 1 . . . . . 3.2 1.9 3.2 1 1 75 1 . . . . . 2.8 1.9 2.8 1 1 76 1 . . . . . 4.0 1.9 4.0 1 1 77 1 . . . . . 3.6 1.9 3.6 1 1 78 1 . . . . . 2.5 1.9 2.5 1 1 79 1 . . . . . 3.6 1.9 3.6 1 1 80 1 . . . . . 4.0 1.9 4.0 1 1 81 1 . . . . . 2.8 1.9 2.8 1 1 82 1 . . . . . 4.0 1.9 4.0 1 1 83 1 . . . . . 2.5 1.9 2.5 1 1 84 1 . . . . . 3.2 1.9 3.2 1 1 85 1 . . . . . 3.2 1.9 3.2 1 1 86 1 . . . . . 5.3 1.9 5.3 1 1 87 1 . . . . . 4.0 1.9 4.0 1 1 88 1 . . . . . 2.5 1.9 2.5 1 1 89 1 . . . . . 3.2 1.9 3.2 1 1 90 1 . . . . . 5.3 1.9 5.3 1 1 91 1 . . . . . 3.6 1.9 3.6 1 1 92 1 . . . . . 4.5 1.9 4.5 1 1 93 1 . . . . . 3.6 1.9 3.6 1 1 94 1 . . . . . 5.0 1.9 5.0 1 1 95 1 . . . . . 3.6 1.9 3.6 1 1 96 1 . . . . . 2.8 1.9 2.8 1 1 97 1 . . . . . 2.8 1.9 2.8 1 1 98 1 . . . . . 2.8 1.9 2.8 1 1 99 1 . . . . . 2.8 1.9 2.8 1 1 100 1 . . . . . 3.6 1.9 3.6 1 1 101 1 . . . . . 3.6 1.9 3.6 1 1 102 1 . . . . . 3.6 1.9 3.6 1 1 103 1 . . . . . 3.6 1.9 3.6 1 1 104 1 . . . . . 4.0 1.9 4.0 1 1 105 1 . . . . . 3.6 1.9 3.6 1 1 106 1 . . . . . 2.8 1.9 2.8 1 1 107 1 . . . . . 5.0 1.9 5.0 1 1 108 1 . . . . . 3.6 1.9 3.6 1 1 109 1 . . . . . 5.0 1.9 5.0 1 1 110 1 . . . . . 5.3 1.9 5.3 1 1 111 1 . . . . . 2.8 1.9 2.8 1 1 112 1 . . . . . 2.8 1.9 2.8 1 1 113 1 . . . . . 4.5 1.9 4.5 1 1 114 1 . . . . . 4.0 1.9 4.0 1 1 115 1 . . . . . 2.8 1.9 2.8 1 1 116 1 . . . . . 4.0 1.9 4.0 1 1 117 1 . . . . . 5.0 1.9 5.0 1 1 118 1 . . . . . 5.0 1.9 5.0 1 1 119 1 . . . . . 3.6 1.9 3.6 1 1 120 1 . . . . . 3.6 1.9 3.6 1 1 121 1 . . . . . 3.6 1.9 3.6 1 1 122 1 . . . . . 3.6 1.9 3.6 1 1 123 1 . . . . . 5.0 1.9 5.0 1 1 124 1 . . . . . 3.2 1.9 3.2 1 1 125 1 . . . . . 3.6 1.9 3.6 1 1 126 1 . . . . . 4.0 1.9 4.0 1 1 127 1 . . . . . 5.3 1.9 5.3 1 1 128 1 . . . . . 5.3 1.9 5.3 1 1 129 1 . . . . . 2.5 1.9 2.5 1 1 130 1 . . . . . 3.6 1.9 3.6 1 1 131 1 . . . . . 3.6 1.9 3.6 1 1 132 1 . . . . . 5.3 1.9 5.3 1 1 133 1 . . . . . 3.2 1.9 3.2 1 1 134 1 . . . . . 3.6 1.9 3.6 1 1 135 1 . . . . . 5.0 1.9 5.0 1 1 136 1 . . . . . 4.0 1.9 4.0 1 1 137 1 . . . . . 3.2 1.9 3.2 1 1 138 1 . . . . . 4.0 1.9 4.0 1 1 139 1 . . . . . 4.0 1.9 4.0 1 1 140 1 . . . . . 3.2 1.9 3.2 1 1 141 1 . . . . . 2.8 1.9 2.8 1 1 142 1 . . . . . 2.5 1.9 2.5 1 1 143 1 . . . . . 4.5 1.9 4.5 1 1 144 1 . . . . . 3.6 1.9 3.6 1 1 145 1 . . . . . 3.2 1.9 3.2 1 1 146 1 . . . . . 4.0 1.9 4.0 1 1 147 1 . . . . . 5.0 1.9 5.0 1 1 148 1 . . . . . 3.2 1.9 3.2 1 1 149 1 . . . . . 3.6 1.9 3.6 1 1 150 1 . . . . . 2.8 1.9 2.8 1 1 151 1 . . . . . 3.2 1.9 3.2 1 1 152 1 . . . . . 4.0 1.9 4.0 1 1 153 1 . . . . . 2.5 1.9 2.5 1 1 154 1 . . . . . 4.0 1.9 4.0 1 1 155 1 . . . . . 5.0 1.9 5.0 1 1 156 1 . . . . . 4.0 1.9 4.0 1 1 157 1 . . . . . 5.0 1.9 5.0 1 1 158 1 . . . . . 2.4 1.9 2.4 1 1 159 1 . . . . . 5.0 1.9 5.0 1 1 160 1 . . . . . 2.4 1.9 2.4 1 1 161 1 . . . . . 4.0 1.9 4.0 1 1 162 1 . . . . . 2.5 1.9 2.5 1 1 163 1 . . . . . 4.5 1.9 4.5 1 1 164 1 . . . . . 4.0 1.9 4.0 1 1 165 1 . . . . . 3.2 1.9 3.2 1 1 166 1 . . . . . 2.4 1.9 2.4 1 1 167 1 . . . . . 2.8 1.9 2.8 1 1 168 1 . . . . . 4.5 1.9 4.5 1 1 169 1 . . . . . 2.8 1.9 2.8 1 1 170 1 . . . . . 3.6 1.9 3.6 1 1 171 1 . . . . . 3.6 1.9 3.6 1 1 172 1 . . . . . 4.0 1.9 4.0 1 1 173 1 . . . . . 3.6 1.9 3.6 1 1 174 1 . . . . . 3.2 1.9 3.2 1 1 175 1 . . . . . 4.0 1.9 4.0 1 1 176 1 . . . . . 4.0 1.9 4.0 1 1 177 1 . . . . . 5.0 1.9 5.0 1 1 178 1 . . . . . 2.5 1.9 2.5 1 1 179 1 . . . . . 3.2 1.9 3.2 1 1 180 1 . . . . . 3.2 1.9 3.2 1 1 181 1 . . . . . 5.0 1.9 5.0 1 1 182 1 . . . . . 2.8 1.9 2.8 1 1 183 1 . . . . . 4.0 1.9 4.0 1 1 184 1 . . . . . 3.2 1.9 3.2 1 1 185 1 . . . . . 5.0 1.9 5.0 1 1 186 1 . . . . . 4.0 1.9 4.0 1 1 187 1 . . . . . 4.0 1.9 4.0 1 1 188 1 . . . . . 2.8 1.9 2.8 1 1 189 1 . . . . . 2.8 1.9 2.8 1 1 190 1 . . . . . 4.0 1.9 4.0 1 1 191 1 . . . . . 4.0 1.9 4.0 1 1 192 1 . . . . . 2.8 1.9 2.8 1 1 193 1 . . . . . 2.8 1.9 2.8 1 1 194 1 . . . . . 2.4 1.9 2.4 1 1 195 1 . . . . . 5.0 1.9 5.0 1 1 196 1 . . . . . 5.0 1.9 5.0 1 1 197 1 . . . . . 4.0 1.9 4.0 1 1 198 1 . . . . . 4.5 1.9 4.5 1 1 199 1 . . . . . 3.6 1.9 3.6 1 1 200 1 . . . . . 3.6 1.9 3.6 1 1 201 1 . . . . . 3.2 1.9 3.2 1 1 202 1 . . . . . 4.5 1.9 4.5 1 1 203 1 . . . . . 4.0 1.9 4.0 1 1 204 1 . . . . . 2.4 1.9 2.4 1 1 205 1 . . . . . 4.0 1.9 4.0 1 1 206 1 . . . . . 2.8 1.9 2.8 1 1 207 1 . . . . . 2.4 1.9 2.4 1 1 208 1 . . . . . 2.5 1.9 2.5 1 1 209 1 . . . . . 2.5 1.9 2.5 1 1 210 1 . . . . . 4.0 1.9 4.0 1 1 211 1 . . . . . 3.6 1.9 3.6 1 1 212 1 . . . . . 2.8 1.9 2.8 1 1 213 1 . . . . . 2.4 1.9 2.4 1 1 214 1 . . . . . 2.8 1.9 2.8 1 1 215 1 . . . . . 2.4 1.9 2.4 1 1 216 1 . . . . . 5.0 1.9 5.0 1 1 217 1 . . . . . 3.6 1.9 3.6 1 1 218 1 . . . . . 3.2 1.9 3.2 1 1 219 1 . . . . . 5.3 1.9 5.3 1 1 220 1 . . . . . 5.3 1.9 5.3 1 1 221 1 . . . . . 5.0 1.9 5.0 1 1 222 1 . . . . . 5.0 1.9 5.0 1 1 223 1 . . . . . 2.8 1.9 2.8 1 1 224 1 . . . . . 2.4 1.9 2.4 1 1 225 1 . . . . . 3.2 1.9 3.2 1 1 226 1 . . . . . 5.3 1.9 5.3 1 1 227 1 . . . . . 2.8 1.9 2.8 1 1 228 1 . . . . . 3.2 1.9 3.2 1 1 229 1 . . . . . 2.4 1.9 2.4 1 1 230 1 . . . . . 2.8 1.9 2.8 1 1 231 1 . . . . . 2.4 1.9 2.4 1 1 232 1 . . . . . 2.4 1.9 2.4 1 1 233 1 . . . . . 3.2 1.9 3.2 1 1 234 1 . . . . . 3.6 1.9 3.6 1 1 235 1 . . . . . 2.5 1.9 2.5 1 1 236 1 . . . . . 2.8 1.9 2.8 1 1 237 1 . . . . . 4.0 1.9 4.0 1 1 238 1 . . . . . 2.5 1.9 2.5 1 1 239 1 . . . . . 4.5 1.9 4.5 1 1 240 1 . . . . . 2.8 1.9 2.8 1 1 241 1 . . . . . 2.5 1.9 2.5 1 1 242 1 . . . . . 4.0 1.9 4.0 1 1 243 1 . . . . . 2.8 1.9 2.8 1 1 244 1 . . . . . 3.2 1.9 3.2 1 1 245 1 . . . . . 2.8 1.9 2.8 1 1 246 1 . . . . . 4.5 1.9 4.5 1 1 247 1 . . . . . 2.8 1.9 2.8 1 1 248 1 . . . . . 3.6 1.9 3.6 1 1 249 1 . . . . . 3.6 1.9 3.6 1 1 250 1 . . . . . 4.5 1.9 4.5 1 1 251 1 . . . . . 4.5 1.9 4.5 1 1 252 1 . . . . . 4.0 1.9 4.0 1 1 253 1 . . . . . 5.3 1.9 5.3 1 1 254 1 . . . . . 2.5 1.9 2.5 1 1 255 1 . . . . . 2.5 1.9 2.5 1 1 256 1 . . . . . 4.0 1.9 4.0 1 1 257 1 . . . . . 3.6 1.9 3.6 1 1 258 1 . . . . . 2.8 1.9 2.8 1 1 259 1 . . . . . 2.8 1.9 2.8 1 1 260 1 . . . . . 2.4 1.9 2.4 1 1 261 1 . . . . . 3.2 1.9 3.2 1 1 262 1 . . . . . 5.0 1.9 5.0 1 1 263 1 . . . . . 3.2 1.9 3.2 1 1 264 1 . . . . . 3.2 1.9 3.2 1 1 265 1 . . . . . 2.5 1.9 2.5 1 1 266 1 . . . . . 2.8 1.9 2.8 1 1 267 1 . . . . . 3.2 1.9 3.2 1 1 268 1 . . . . . 5.0 1.9 5.0 1 1 269 1 . . . . . 2.4 1.9 2.4 1 1 270 1 . . . . . 3.6 1.9 3.6 1 1 271 1 . . . . . 3.6 1.9 3.6 1 1 272 1 . . . . . 5.0 1.9 5.0 1 1 273 1 . . . . . 3.6 1.9 3.6 1 1 274 1 . . . . . 3.6 1.9 3.6 1 1 275 1 . . . . . 2.8 1.9 2.8 1 1 276 1 . . . . . 4.0 1.9 4.0 1 1 277 1 . . . . . 2.4 1.9 2.4 1 1 278 1 . . . . . 2.4 1.9 2.4 1 1 279 1 . . . . . 2.8 1.9 2.8 1 1 280 1 . . . . . 3.2 1.9 3.2 1 1 281 1 . . . . . 4.0 1.9 4.0 1 1 282 1 . . . . . 2.5 1.9 2.5 1 1 283 1 . . . . . 2.5 1.9 2.5 1 1 284 1 . . . . . 5.0 1.9 5.0 1 1 285 1 . . . . . 3.2 1.9 3.2 1 1 286 1 . . . . . 3.6 1.9 3.6 1 1 287 1 . . . . . 4.5 1.9 4.5 1 1 288 1 . . . . . 2.8 1.9 2.8 1 1 289 1 . . . . . 4.0 1.9 4.0 1 1 290 1 . . . . . 4.5 1.9 4.5 1 1 291 1 . . . . . 5.3 1.9 5.3 1 1 292 1 . . . . . 5.3 1.9 5.3 1 1 293 1 . . . . . 4.5 1.9 4.5 1 1 294 1 . . . . . 5.0 1.9 5.0 1 1 295 1 . . . . . 2.5 1.9 2.5 1 1 296 1 . . . . . 4.5 1.9 4.5 1 1 297 1 . . . . . 2.8 1.9 2.8 1 1 298 1 . . . . . 2.4 1.9 2.4 1 1 299 1 . . . . . 3.6 1.9 3.6 1 1 300 1 . . . . . 4.0 1.9 4.0 1 1 301 1 . . . . . 2.8 1.9 2.8 1 1 302 1 . . . . . 5.0 1.9 5.0 1 1 303 1 . . . . . 3.6 1.9 3.6 1 1 304 1 . . . . . 2.8 1.9 2.8 1 1 305 1 . . . . . 2.5 1.9 2.5 1 1 306 1 . . . . . 2.5 1.9 2.5 1 1 307 1 . . . . . 3.6 1.9 3.6 1 1 308 1 . . . . . 2.5 1.9 2.5 1 1 309 1 . . . . . 4.0 1.9 4.0 1 1 310 1 . . . . . 2.8 1.9 2.8 1 1 311 1 . . . . . 4.5 1.9 4.5 1 1 312 1 . . . . . 4.0 1.9 4.0 1 1 313 1 . . . . . 4.0 1.9 4.0 1 1 314 1 . . . . . 2.8 1.9 2.8 1 1 315 1 . . . . . 2.8 1.9 2.8 1 1 316 1 . . . . . 2.4 1.9 2.4 1 1 317 1 . . . . . 5.3 1.9 5.3 1 1 318 1 . . . . . 2.8 1.9 2.8 1 1 319 1 . . . . . 2.5 1.9 2.5 1 1 320 1 . . . . . 3.6 1.9 3.6 1 1 321 1 . . . . . 3.2 1.9 3.2 1 1 322 1 . . . . . 4.5 1.9 4.5 1 1 323 1 . . . . . 5.0 1.9 5.0 1 1 324 1 . . . . . 4.0 1.9 4.0 1 1 325 1 . . . . . 4.0 1.9 4.0 1 1 326 1 . . . . . 3.6 1.9 3.6 1 1 327 1 . . . . . 4.5 1.9 4.5 1 1 328 1 . . . . . 3.6 1.9 3.6 1 1 329 1 . . . . . 4.0 1.9 4.0 1 1 330 1 . . . . . 4.0 1.9 4.0 1 1 331 1 . . . . . 4.5 1.9 4.5 1 1 332 1 . . . . . 4.5 1.9 4.5 1 1 333 1 . . . . . 4.5 1.9 4.5 1 1 334 1 . . . . . 4.0 1.9 4.0 1 1 335 1 . . . . . 5.0 1.9 5.0 1 1 336 1 . . . . . 4.5 1.9 4.5 1 1 337 1 . . . . . 4.0 1.9 4.0 1 1 338 1 . . . . . 5.3 1.9 5.3 1 1 339 1 . . . . . 4.5 1.9 4.5 1 1 340 1 . . . . . 5.0 1.9 5.0 1 1 341 1 . . . . . 5.3 1.9 5.3 1 1 342 1 . . . . . 5.3 1.9 5.3 1 1 343 1 . . . . . 4.0 1.9 4.0 1 1 344 1 . . . . . 4.5 1.9 4.5 1 1 345 1 . . . . . 5.3 1.9 5.3 1 1 346 1 . . . . . 4.0 1.9 4.0 1 1 347 1 . . . . . 2.8 1.9 2.8 1 1 348 1 . . . . . 4.5 1.9 4.5 1 1 349 1 . . . . . 3.2 1.9 3.2 1 1 350 1 . . . . . 4.5 1.9 4.5 1 1 351 1 . . . . . 5.3 1.9 5.3 1 1 352 1 . . . . . 3.6 1.9 3.6 1 1 353 1 . . . . . 4.0 1.9 4.0 1 1 354 1 . . . . . 4.0 1.9 4.0 1 1 355 1 . . . . . 5.0 1.9 5.0 1 1 356 1 . . . . . 3.6 1.9 3.6 1 1 357 1 . . . . . 2.5 1.9 2.5 1 1 358 1 . . . . . 5.3 1.9 5.3 1 1 359 1 . . . . . 3.2 1.9 3.2 1 1 360 1 . . . . . 5.0 1.9 5.0 1 1 361 1 . . . . . 4.5 1.9 4.5 1 1 362 1 . . . . . 4.5 1.9 4.5 1 1 363 1 . . . . . 4.5 1.9 4.5 1 1 364 1 . . . . . 3.6 1.9 3.6 1 1 365 1 . . . . . 4.0 1.9 4.0 1 1 366 1 . . . . . 4.5 1.9 4.5 1 1 367 1 . . . . . 3.6 1.9 3.6 1 1 368 1 . . . . . 3.2 1.9 3.2 1 1 369 1 . . . . . 4.0 1.9 4.0 1 1 370 1 . . . . . 4.5 1.9 4.5 1 1 371 1 . . . . . 5.0 1.9 5.0 1 1 372 1 . . . . . 3.2 1.9 3.2 1 1 373 1 . . . . . 4.0 1.9 4.0 1 1 374 1 . . . . . 5.3 1.9 5.3 1 1 375 1 . . . . . 5.0 1.9 5.0 1 1 376 1 . . . . . 4.0 1.9 4.0 1 1 377 1 . . . . . 5.0 1.9 5.0 1 1 378 1 . . . . . 4.0 1.9 4.0 1 1 379 1 . . . . . 5.3 1.9 5.3 1 1 380 1 . . . . . 4.0 1.9 4.0 1 1 381 1 . . . . . 4.5 1.9 4.5 1 1 382 1 . . . . . 4.0 1.9 4.0 1 1 383 1 . . . . . 4.5 1.9 4.5 1 1 384 1 . . . . . 3.2 1.9 3.2 1 1 385 1 . . . . . 4.5 1.9 4.5 1 1 386 1 . . . . . 4.0 1.9 4.0 1 1 387 1 . . . . . 3.2 1.9 3.2 1 1 388 1 . . . . . 4.5 1.9 4.5 1 1 389 1 . . . . . 5.0 1.9 5.0 1 1 390 1 . . . . . 5.0 1.9 5.0 1 1 391 1 . . . . . 5.0 1.9 5.0 1 1 392 1 . . . . . 2.8 1.9 2.8 1 1 393 1 . . . . . 2.8 1.9 2.8 1 1 394 1 . . . . . 3.6 1.9 3.6 1 1 395 1 . . . . . 2.8 1.9 2.8 1 1 396 1 . . . . . 3.2 1.9 3.2 1 1 397 1 . . . . . 5.3 1.9 5.3 1 1 398 1 . . . . . 5.0 1.9 5.0 1 1 399 1 . . . . . 5.0 1.9 5.0 1 1 400 1 . . . . . 4.0 1.9 4.0 1 1 401 1 . . . . . 4.5 1.9 4.5 1 1 402 1 . . . . . 4.0 1.9 4.0 1 1 403 1 . . . . . 4.0 1.9 4.0 1 1 404 1 . . . . . 5.0 1.9 5.0 1 1 405 1 . . . . . 4.5 1.9 4.5 1 1 406 1 . . . . . 4.5 1.9 4.5 1 1 407 1 . . . . . 3.6 1.9 3.6 1 1 408 1 . . . . . 4.5 1.9 4.5 1 1 409 1 . . . . . 4.0 1.9 4.0 1 1 410 1 . . . . . 4.5 1.9 4.5 1 1 411 1 . . . . . 3.6 1.9 3.6 1 1 412 1 . . . . . 4.0 1.9 4.0 1 1 413 1 . . . . . 5.0 1.9 5.0 1 1 414 1 . . . . . 5.0 1.9 5.0 1 1 415 1 . . . . . 4.0 1.9 4.0 1 1 416 1 . . . . . 4.5 1.9 4.5 1 1 417 1 . . . . . 3.6 1.9 3.6 1 1 418 1 . . . . . 4.5 1.9 4.5 1 1 419 1 . . . . . 5.0 1.9 5.0 1 1 420 1 . . . . . 3.6 1.9 3.6 1 1 421 1 . . . . . 5.0 1.9 5.0 1 1 422 1 . . . . . 3.2 1.9 3.2 1 1 423 1 . . . . . 4.0 1.9 4.0 1 1 424 1 . . . . . 3.2 1.9 3.2 1 1 425 1 . . . . . 5.3 1.9 5.3 1 1 426 1 . . . . . 4.0 1.9 4.0 1 1 427 1 . . . . . 4.5 1.9 4.5 1 1 428 1 . . . . . 4.0 1.9 4.0 1 1 429 1 . . . . . 5.3 1.9 5.3 1 1 430 1 . . . . . 5.0 1.9 5.0 1 1 431 1 . . . . . 5.3 1.9 5.3 1 1 432 1 . . . . . 5.0 1.9 5.0 1 1 433 1 . . . . . 5.0 1.9 5.0 1 1 434 1 . . . . . 4.0 1.9 4.0 1 1 435 1 . . . . . 5.0 1.9 5.0 1 1 436 1 . . . . . 4.5 1.9 4.5 1 1 437 1 . . . . . 3.6 1.9 3.6 1 1 438 1 . . . . . 5.0 1.9 5.0 1 1 439 1 . . . . . 5.0 1.9 5.0 1 1 440 1 . . . . . 5.0 1.9 5.0 1 1 441 1 . . . . . 5.0 1.9 5.0 1 1 442 1 . . . . . 4.0 1.9 4.0 1 1 443 1 . . . . . 4.5 1.9 4.5 1 1 444 1 . . . . . 4.5 1.9 4.5 1 1 445 1 . . . . . 5.3 1.9 5.3 1 1 446 1 . . . . . 5.0 1.9 5.0 1 1 447 1 . . . . . 5.0 1.9 5.0 1 1 448 1 . . . . . 3.2 1.9 3.2 1 1 449 1 . . . . . 5.0 1.9 5.0 1 1 450 1 . . . . . 4.0 1.9 4.0 1 1 451 1 . . . . . 2.4 1.9 2.4 1 1 452 1 . . . . . 5.0 1.9 5.0 1 1 453 1 . . . . . 5.0 1.9 5.0 1 1 454 1 . . . . . 4.5 1.9 4.5 1 1 455 1 . . . . . 5.3 1.9 5.3 1 1 456 1 . . . . . 5.0 1.9 5.0 1 1 457 1 . . . . . 5.0 1.9 5.0 1 1 458 1 . . . . . 2.4 1.9 2.4 1 1 459 1 . . . . . 4.0 1.9 4.0 1 1 460 1 . . . . . 2.8 1.9 2.8 1 1 461 1 . . . . . 4.0 1.9 4.0 1 1 462 1 . . . . . 4.0 1.9 4.0 1 1 463 1 . . . . . 3.6 1.9 3.6 1 1 464 1 . . . . . 5.3 1.9 5.3 1 1 465 1 . . . . . 3.6 1.9 3.6 1 1 466 1 . . . . . 3.6 1.9 3.6 1 1 467 1 . . . . . 5.0 1.9 5.0 1 1 468 1 . . . . . 4.5 1.9 4.5 1 1 469 1 . . . . . 3.2 1.9 3.2 1 1 470 1 . . . . . 5.0 1.9 5.0 1 1 471 1 . . . . . 5.0 1.9 5.0 1 1 472 1 . . . . . 5.3 1.9 5.3 1 1 473 1 . . . . . 5.3 1.9 5.3 1 1 474 1 . . . . . 3.2 1.9 3.2 1 1 475 1 . . . . . 5.0 1.9 5.0 1 1 476 1 . . . . . 4.0 1.9 4.0 1 1 477 1 . . . . . 4.5 1.9 4.5 1 1 478 1 . . . . . 5.0 1.9 5.0 1 1 479 1 . . . . . 4.0 1.9 4.0 1 1 480 1 . . . . . 4.0 1.9 4.0 1 1 481 1 . . . . . 5.0 1.9 5.0 1 1 482 1 . . . . . 3.2 1.9 3.2 1 1 483 1 . . . . . 5.3 1.9 5.3 1 1 484 1 . . . . . 4.5 1.9 4.5 1 1 485 1 . . . . . 4.0 1.9 4.0 1 1 486 1 . . . . . 4.5 1.9 4.5 1 1 487 1 . . . . . 5.0 1.9 5.0 1 1 488 1 . . . . . 4.5 1.9 4.5 1 1 489 1 . . . . . 4.0 1.9 4.0 1 1 490 1 . . . . . 5.3 1.9 5.3 1 1 491 1 . . . . . 5.0 1.9 5.0 1 1 492 1 . . . . . 5.3 1.9 5.3 1 1 493 1 . . . . . 5.3 1.9 5.3 1 1 494 1 . . . . . 4.5 1.9 4.5 1 1 495 1 . . . . . 4.5 1.9 4.5 1 1 496 1 . . . . . 4.0 1.9 4.0 1 1 497 1 . . . . . 5.0 1.9 5.0 1 1 498 1 . . . . . 5.0 1.9 5.0 1 1 499 1 . . . . . 4.5 1.9 4.5 1 1 500 1 . . . . . 5.0 1.9 5.0 1 1 501 1 . . . . . 4.0 1.9 4.0 1 1 502 1 . . . . . 4.5 1.9 4.5 1 1 503 1 . . . . . 3.6 1.9 3.6 1 1 504 1 . . . . . 5.0 1.9 5.0 1 1 505 1 . . . . . 4.5 1.9 4.5 1 1 506 1 . . . . . 2.8 1.9 2.8 1 1 507 1 . . . . . 4.5 1.9 4.5 1 1 508 1 . . . . . 5.0 1.9 5.0 1 1 509 1 . . . . . 5.3 1.9 5.3 1 1 510 1 . . . . . 5.0 1.9 5.0 1 1 511 1 . . . . . 3.6 1.9 3.6 1 1 512 1 . . . . . 4.5 1.9 4.5 1 1 513 1 . . . . . 5.3 1.9 5.3 1 1 514 1 . . . . . 4.5 1.9 4.5 1 1 515 1 . . . . . 3.6 1.9 3.6 1 1 516 1 . . . . . 3.6 1.9 3.6 1 1 517 1 . . . . . 5.0 1.9 5.0 1 1 518 1 . . . . . 3.6 1.9 3.6 1 1 519 1 . . . . . 4.0 1.9 4.0 1 1 520 1 . . . . . 5.0 1.9 5.0 1 1 521 1 . . . . . 4.0 1.9 4.0 1 1 522 1 . . . . . 4.5 1.9 4.5 1 1 523 1 . . . . . 4.5 1.9 4.5 1 1 524 1 . . . . . 3.6 1.9 3.6 1 1 525 1 . . . . . 5.0 1.9 5.0 1 1 526 1 . . . . . 3.6 1.9 3.6 1 1 527 1 . . . . . 3.6 1.9 3.6 1 1 528 1 . . . . . 3.2 1.9 3.2 1 1 529 1 . . . . . 3.6 1.9 3.6 1 1 530 1 . . . . . 5.0 1.9 5.0 1 1 531 1 . . . . . 3.2 1.9 3.2 1 1 532 1 . . . . . 5.0 1.9 5.0 1 1 533 1 . . . . . 5.3 1.9 5.3 1 1 534 1 . . . . . 4.5 1.9 4.5 1 1 535 1 . . . . . 5.3 1.9 5.3 1 1 536 1 . . . . . 5.3 1.9 5.3 1 1 537 1 . . . . . 5.0 1.9 5.0 1 1 538 1 . . . . . 5.0 1.9 5.0 1 1 539 1 . . . . . 5.3 1.9 5.3 1 1 540 1 . . . . . 4.0 1.9 4.0 1 1 541 1 . . . . . 5.0 1.9 5.0 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 17 1 . . . 1 2 18 1 . . . 1 2 19 1 . . . 1 2 20 1 . . . 1 2 21 1 . . . 1 2 22 1 . . . 1 2 23 1 . . . 1 2 24 1 . . . 1 2 25 1 . . . 1 2 26 1 . . . 1 2 27 1 . . . 1 2 28 1 . . . 1 2 29 1 . . . 1 2 30 1 . . . 1 2 31 1 . . . 1 2 32 1 . . . 1 2 33 1 . . . 1 2 34 1 . . . 1 2 35 1 . . . 1 2 36 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 5 GLN H . 24 . HN 1 2 1 1 2 1 1 47 VAL O . 66 . O 1 2 2 1 1 1 1 5 GLN N . 24 . N 1 2 2 1 2 1 1 47 VAL O . 66 . O 1 2 3 1 1 1 1 6 CYS H . 25 . HN 1 2 3 1 2 1 1 13 TYR O . 32 . O 1 2 4 1 1 1 1 6 CYS N . 25 . N 1 2 4 1 2 1 1 13 TYR O . 32 . O 1 2 5 1 1 1 1 7 ASN H . 26 . HN 1 2 5 1 2 1 1 45 GLY O . 64 . O 1 2 6 1 1 1 1 7 ASN N . 26 . N 1 2 6 1 2 1 1 45 GLY O . 64 . O 1 2 7 1 1 1 1 8 TRP H . 27 . HN 1 2 7 1 2 1 1 11 THR O . 30 . O 1 2 8 1 1 1 1 8 TRP N . 27 . N 1 2 8 1 2 1 1 11 THR O . 30 . O 1 2 9 1 1 1 1 8 TRP O . 27 . O 1 2 9 1 2 1 1 11 THR H . 30 . HN 1 2 10 1 1 1 1 8 TRP O . 27 . O 1 2 10 1 2 1 1 11 THR N . 30 . N 1 2 11 1 1 1 1 6 CYS O . 25 . O 1 2 11 1 2 1 1 13 TYR H . 32 . HN 1 2 12 1 1 1 1 6 CYS O . 25 . O 1 2 12 1 2 1 1 13 TYR N . 32 . N 1 2 13 1 1 1 1 4 GLN O . 23 . O 1 2 13 1 2 1 1 15 LEU H . 34 . HN 1 2 14 1 1 1 1 4 GLN O . 23 . O 1 2 14 1 2 1 1 15 LEU N . 34 . N 1 2 15 1 1 1 1 16 CYS H . 35 . HN 1 2 15 1 2 1 1 32 ILE O . 51 . O 1 2 16 1 1 1 1 16 CYS N . 35 . N 1 2 16 1 2 1 1 32 ILE O . 51 . O 1 2 17 1 1 1 1 24 GLY H . 43 . HN 1 2 17 1 2 1 1 31 CYS O . 50 . O 1 2 18 1 1 1 1 24 GLY N . 43 . N 1 2 18 1 2 1 1 31 CYS O . 50 . O 1 2 19 1 1 1 1 26 GLU H . 45 . HN 1 2 19 1 2 1 1 29 ARG O . 48 . O 1 2 20 1 1 1 1 26 GLU N . 45 . N 1 2 20 1 2 1 1 29 ARG O . 48 . O 1 2 21 1 1 1 1 26 GLU O . 45 . O 1 2 21 1 2 1 1 29 ARG H . 48 . HN 1 2 22 1 1 1 1 26 GLU O . 45 . O 1 2 22 1 2 1 1 29 ARG N . 48 . N 1 2 23 1 1 1 1 24 GLY O . 43 . O 1 2 23 1 2 1 1 31 CYS H . 50 . HN 1 2 24 1 1 1 1 24 GLY O . 43 . O 1 2 24 1 2 1 1 31 CYS N . 50 . N 1 2 25 1 1 1 1 14 PRO O . 33 . O 1 2 25 1 2 1 1 32 ILE H . 51 . HN 1 2 26 1 1 1 1 14 PRO O . 33 . O 1 2 26 1 2 1 1 32 ILE N . 51 . N 1 2 27 1 1 1 1 22 GLY O . 41 . O 1 2 27 1 2 1 1 33 ALA H . 52 . HN 1 2 28 1 1 1 1 22 GLY O . 41 . O 1 2 28 1 2 1 1 33 ALA N . 52 . N 1 2 29 1 1 1 1 33 ALA O . 52 . O 1 2 29 1 2 1 1 37 CYS H . 56 . HN 1 2 30 1 1 1 1 33 ALA O . 52 . O 1 2 30 1 2 1 1 37 CYS N . 56 . N 1 2 31 1 1 1 1 34 ARG O . 53 . O 1 2 31 1 2 1 1 38 ALA H . 57 . HN 1 2 32 1 1 1 1 34 ARG O . 53 . O 1 2 32 1 2 1 1 38 ALA N . 57 . N 1 2 33 1 1 1 1 7 ASN O . 26 . O 1 2 33 1 2 1 1 45 GLY H . 64 . HN 1 2 34 1 1 1 1 7 ASN O . 26 . O 1 2 34 1 2 1 1 45 GLY N . 64 . N 1 2 35 1 1 1 1 5 GLN O . 24 . O 1 2 35 1 2 1 1 47 VAL H . 66 . HN 1 2 36 1 1 1 1 5 GLN O . 24 . O 1 2 36 1 2 1 1 47 VAL N . 66 . 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 1.8 2.5 1 2 2 1 . . . . . 3.3 2.5 3.5 1 2 3 1 . . . . . 2.3 1.8 2.5 1 2 4 1 . . . . . 3.3 2.5 3.5 1 2 5 1 . . . . . 2.3 1.8 2.5 1 2 6 1 . . . . . 3.3 2.5 3.5 1 2 7 1 . . . . . 2.3 1.8 2.5 1 2 8 1 . . . . . 3.3 2.5 3.5 1 2 9 1 . . . . . 2.3 1.8 2.5 1 2 10 1 . . . . . 3.3 2.5 3.5 1 2 11 1 . . . . . 2.3 1.8 2.5 1 2 12 1 . . . . . 3.3 2.5 3.5 1 2 13 1 . . . . . 2.3 1.8 2.5 1 2 14 1 . . . . . 3.3 2.5 3.5 1 2 15 1 . . . . . 2.3 1.8 2.5 1 2 16 1 . . . . . 3.3 2.5 3.5 1 2 17 1 . . . . . 2.3 1.8 2.5 1 2 18 1 . . . . . 3.3 2.5 3.5 1 2 19 1 . . . . . 2.3 1.8 2.5 1 2 20 1 . . . . . 3.3 2.5 3.5 1 2 21 1 . . . . . 2.3 1.8 2.5 1 2 22 1 . . . . . 3.3 2.5 3.5 1 2 23 1 . . . . . 2.3 1.8 2.5 1 2 24 1 . . . . . 3.3 2.5 3.5 1 2 25 1 . . . . . 2.3 1.8 2.5 1 2 26 1 . . . . . 3.3 2.5 3.5 1 2 27 1 . . . . . 2.3 1.8 2.5 1 2 28 1 . . . . . 3.3 2.5 3.5 1 2 29 1 . . . . . 2.3 1.8 2.5 1 2 30 1 . . . . . 3.3 2.5 3.5 1 2 31 1 . . . . . 2.3 1.8 2.5 1 2 32 1 . . . . . 3.3 2.5 3.5 1 2 33 1 . . . . . 2.3 1.8 2.5 1 2 34 1 . . . . . 3.3 2.5 3.5 1 2 35 1 . . . . . 2.3 1.8 2.5 1 2 36 1 . . . . . 3.3 2.5 3.5 1 2 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 MET C C -2.732 -10.813 -6.336 1.00 . A A . 20 MET C 1 1 1 2 1 1 1 MET CA C -4.111 -11.346 -5.943 1.00 . A A . 20 MET CA 1 1 1 3 1 1 1 MET CB C -4.135 -11.637 -4.441 1.00 . A A . 20 MET CB 1 1 1 4 1 1 1 MET CE C -4.367 -13.479 -1.825 1.00 . A A . 20 MET CE 1 1 1 5 1 1 1 MET CG C -5.410 -12.405 -4.089 1.00 . A A . 20 MET CG 1 1 1 6 1 1 1 MET H1 H -3.665 -12.737 -7.427 1.00 . A A . 20 MET H1 1 1 1 7 1 1 1 MET H2 H -4.381 -13.407 -6.043 1.00 . A A . 20 MET H2 1 1 1 8 1 1 1 MET H3 H -5.328 -12.530 -7.148 1.00 . A A . 20 MET H3 1 1 1 9 1 1 1 MET HA H -4.863 -10.607 -6.178 1.00 . A A . 20 MET HA 1 1 1 10 1 1 1 MET HB2 H -3.272 -12.231 -4.176 1.00 . A A . 20 MET HB2 1 1 1 11 1 1 1 MET HB3 H -4.115 -10.708 -3.893 1.00 . A A . 20 MET HB3 1 1 1 12 1 1 1 MET HE1 H -3.839 -13.809 -2.710 1.00 . A A . 20 MET HE1 1 1 1 13 1 1 1 MET HE2 H -3.679 -12.978 -1.157 1.00 . A A . 20 MET HE2 1 1 1 14 1 1 1 MET HE3 H -4.792 -14.333 -1.324 1.00 . A A . 20 MET HE3 1 1 1 15 1 1 1 MET HG2 H -6.251 -11.960 -4.601 1.00 . A A . 20 MET HG2 1 1 1 16 1 1 1 MET HG3 H -5.307 -13.436 -4.397 1.00 . A A . 20 MET HG3 1 1 1 17 1 1 1 MET N N -4.393 -12.600 -6.697 1.00 . A A . 20 MET N 1 1 1 18 1 1 1 MET O O -1.748 -11.525 -6.304 1.00 . A A . 20 MET O 1 1 1 19 1 1 1 MET SD S -5.685 -12.335 -2.302 1.00 . A A . 20 MET SD 1 1 1 20 1 1 2 GLY C C -1.427 -7.461 -7.117 1.00 . A A . 21 GLY C 1 1 1 21 1 1 2 GLY CA C -1.336 -8.988 -7.104 1.00 . A A . 21 GLY CA 1 1 1 22 1 1 2 GLY H H -3.457 -9.006 -6.728 1.00 . A A . 21 GLY H 1 1 1 23 1 1 2 GLY HA2 H -1.071 -9.337 -8.090 1.00 . A A . 21 GLY HA2 1 1 1 24 1 1 2 GLY HA3 H -0.580 -9.299 -6.396 1.00 . A A . 21 GLY HA3 1 1 1 25 1 1 2 GLY N N -2.652 -9.564 -6.709 1.00 . A A . 21 GLY N 1 1 1 26 1 1 2 GLY O O -1.464 -6.840 -8.161 1.00 . A A . 21 GLY O 1 1 1 27 1 1 3 ASN C C -0.218 -4.790 -5.432 1.00 . A A . 22 ASN C 1 1 1 28 1 1 3 ASN CA C -1.553 -5.363 -5.911 1.00 . A A . 22 ASN CA 1 1 1 29 1 1 3 ASN CB C -2.663 -4.952 -4.940 1.00 . A A . 22 ASN CB 1 1 1 30 1 1 3 ASN CG C -3.841 -4.374 -5.726 1.00 . A A . 22 ASN CG 1 1 1 31 1 1 3 ASN H H -1.434 -7.368 -5.133 1.00 . A A . 22 ASN H 1 1 1 32 1 1 3 ASN HA H -1.777 -4.981 -6.897 1.00 . A A . 22 ASN HA 1 1 1 33 1 1 3 ASN HB2 H -2.991 -5.817 -4.381 1.00 . A A . 22 ASN HB2 1 1 1 34 1 1 3 ASN HB3 H -2.285 -4.205 -4.259 1.00 . A A . 22 ASN HB3 1 1 1 35 1 1 3 ASN HD21 H -3.909 -2.698 -4.665 1.00 . A A . 22 ASN HD21 1 1 1 36 1 1 3 ASN HD22 H -5.066 -2.821 -5.901 1.00 . A A . 22 ASN HD22 1 1 1 37 1 1 3 ASN N N -1.465 -6.850 -5.964 1.00 . A A . 22 ASN N 1 1 1 38 1 1 3 ASN ND2 N -4.312 -3.200 -5.404 1.00 . A A . 22 ASN ND2 1 1 1 39 1 1 3 ASN O O 0.649 -5.510 -4.977 1.00 . A A . 22 ASN O 1 1 1 40 1 1 3 ASN OD1 O -4.339 -4.996 -6.643 1.00 . A A . 22 ASN OD1 1 1 1 41 1 1 4 GLN C C 1.074 -2.331 -3.672 1.00 . A A . 23 GLN C 1 1 1 42 1 1 4 GLN CA C 1.238 -2.887 -5.082 1.00 . A A . 23 GLN CA 1 1 1 43 1 1 4 GLN CB C 1.618 -1.743 -6.013 1.00 . A A . 23 GLN CB 1 1 1 44 1 1 4 GLN CD C 1.752 -1.082 -8.419 1.00 . A A . 23 GLN CD 1 1 1 45 1 1 4 GLN CG C 1.744 -2.262 -7.446 1.00 . A A . 23 GLN CG 1 1 1 46 1 1 4 GLN H H -0.754 -2.936 -5.901 1.00 . A A . 23 GLN H 1 1 1 47 1 1 4 GLN HA H 2.020 -3.633 -5.087 1.00 . A A . 23 GLN HA 1 1 1 48 1 1 4 GLN HB2 H 0.858 -0.982 -5.966 1.00 . A A . 23 GLN HB2 1 1 1 49 1 1 4 GLN HB3 H 2.558 -1.325 -5.697 1.00 . A A . 23 GLN HB3 1 1 1 50 1 1 4 GLN HE21 H 2.407 0.213 -7.063 1.00 . A A . 23 GLN HE21 1 1 1 51 1 1 4 GLN HE22 H 2.139 0.856 -8.610 1.00 . A A . 23 GLN HE22 1 1 1 52 1 1 4 GLN HG2 H 2.664 -2.819 -7.546 1.00 . A A . 23 GLN HG2 1 1 1 53 1 1 4 GLN HG3 H 0.907 -2.906 -7.671 1.00 . A A . 23 GLN HG3 1 1 1 54 1 1 4 GLN N N -0.043 -3.501 -5.532 1.00 . A A . 23 GLN N 1 1 1 55 1 1 4 GLN NE2 N 2.130 0.093 -7.996 1.00 . A A . 23 GLN NE2 1 1 1 56 1 1 4 GLN O O -0.024 -2.024 -3.227 1.00 . A A . 23 GLN O 1 1 1 57 1 1 4 GLN OE1 O 1.410 -1.230 -9.575 1.00 . A A . 23 GLN OE1 1 1 1 58 1 1 5 GLN C C 2.826 -0.383 -1.388 1.00 . A A . 24 GLN C 1 1 1 59 1 1 5 GLN CA C 2.023 -1.651 -1.582 1.00 . A A . 24 GLN CA 1 1 1 60 1 1 5 GLN CB C 2.431 -2.699 -0.550 1.00 . A A . 24 GLN CB 1 1 1 61 1 1 5 GLN CD C 1.564 -4.635 0.770 1.00 . A A . 24 GLN CD 1 1 1 62 1 1 5 GLN CG C 1.178 -3.347 0.043 1.00 . A A . 24 GLN CG 1 1 1 63 1 1 5 GLN H H 3.030 -2.430 -3.319 1.00 . A A . 24 GLN H 1 1 1 64 1 1 5 GLN HA H 1.002 -1.391 -1.440 1.00 . A A . 24 GLN HA 1 1 1 65 1 1 5 GLN HB2 H 3.037 -3.455 -1.024 1.00 . A A . 24 GLN HB2 1 1 1 66 1 1 5 GLN HB3 H 2.994 -2.225 0.239 1.00 . A A . 24 GLN HB3 1 1 1 67 1 1 5 GLN HE21 H -0.046 -5.626 0.164 1.00 . A A . 24 GLN HE21 1 1 1 68 1 1 5 GLN HE22 H 1.019 -6.507 1.151 1.00 . A A . 24 GLN HE22 1 1 1 69 1 1 5 GLN HG2 H 0.717 -2.663 0.741 1.00 . A A . 24 GLN HG2 1 1 1 70 1 1 5 GLN HG3 H 0.482 -3.578 -0.750 1.00 . A A . 24 GLN HG3 1 1 1 71 1 1 5 GLN N N 2.154 -2.187 -2.955 1.00 . A A . 24 GLN N 1 1 1 72 1 1 5 GLN NE2 N 0.781 -5.676 0.688 1.00 . A A . 24 GLN NE2 1 1 1 73 1 1 5 GLN O O 3.538 0.068 -2.254 1.00 . A A . 24 GLN O 1 1 1 74 1 1 5 GLN OE1 O 2.589 -4.697 1.419 1.00 . A A . 24 GLN OE1 1 1 1 75 1 1 6 CYS C C 4.233 1.433 1.206 1.00 . A A . 25 CYS C 1 1 1 76 1 1 6 CYS CA C 3.302 1.514 0.011 1.00 . A A . 25 CYS CA 1 1 1 77 1 1 6 CYS CB C 2.206 2.521 0.353 1.00 . A A . 25 CYS CB 1 1 1 78 1 1 6 CYS H H 2.021 -0.127 0.392 1.00 . A A . 25 CYS H 1 1 1 79 1 1 6 CYS HA H 3.841 1.843 -0.864 1.00 . A A . 25 CYS HA 1 1 1 80 1 1 6 CYS HB2 H 1.841 2.317 1.353 1.00 . A A . 25 CYS HB2 1 1 1 81 1 1 6 CYS HB3 H 2.597 3.530 0.298 1.00 . A A . 25 CYS HB3 1 1 1 82 1 1 6 CYS N N 2.642 0.231 -0.259 1.00 . A A . 25 CYS N 1 1 1 83 1 1 6 CYS O O 3.861 1.825 2.290 1.00 . A A . 25 CYS O 1 1 1 84 1 1 6 CYS SG S 0.856 2.331 -0.817 1.00 . A A . 25 CYS SG 1 1 1 85 1 1 7 ASN C C 6.480 2.505 2.518 1.00 . A A . 26 ASN C 1 1 1 86 1 1 7 ASN CA C 6.384 1.030 2.170 1.00 . A A . 26 ASN CA 1 1 1 87 1 1 7 ASN CB C 7.754 0.487 1.755 1.00 . A A . 26 ASN CB 1 1 1 88 1 1 7 ASN CG C 8.725 0.604 2.931 1.00 . A A . 26 ASN CG 1 1 1 89 1 1 7 ASN H H 5.756 0.750 0.143 1.00 . A A . 26 ASN H 1 1 1 90 1 1 7 ASN HA H 5.979 0.472 3.001 1.00 . A A . 26 ASN HA 1 1 1 91 1 1 7 ASN HB2 H 7.657 -0.555 1.469 1.00 . A A . 26 ASN HB2 1 1 1 92 1 1 7 ASN HB3 H 8.133 1.066 0.919 1.00 . A A . 26 ASN HB3 1 1 1 93 1 1 7 ASN HD21 H 8.423 -1.259 3.549 1.00 . A A . 26 ASN HD21 1 1 1 94 1 1 7 ASN HD22 H 9.526 -0.358 4.472 1.00 . A A . 26 ASN HD22 1 1 1 95 1 1 7 ASN N N 5.450 1.010 1.025 1.00 . A A . 26 ASN N 1 1 1 96 1 1 7 ASN ND2 N 8.906 -0.422 3.716 1.00 . A A . 26 ASN ND2 1 1 1 97 1 1 7 ASN O O 7.230 3.249 1.915 1.00 . A A . 26 ASN O 1 1 1 98 1 1 7 ASN OD1 O 9.324 1.641 3.139 1.00 . A A . 26 ASN OD1 1 1 1 99 1 1 8 TRP C C 6.735 4.748 4.694 1.00 . A A . 27 TRP C 1 1 1 100 1 1 8 TRP CA C 5.617 4.396 3.727 1.00 . A A . 27 TRP CA 1 1 1 101 1 1 8 TRP CB C 4.276 4.722 4.384 1.00 . A A . 27 TRP CB 1 1 1 102 1 1 8 TRP CD1 C 3.412 7.013 4.882 1.00 . A A . 27 TRP CD1 1 1 1 103 1 1 8 TRP CD2 C 3.871 6.710 2.710 1.00 . A A . 27 TRP CD2 1 1 1 104 1 1 8 TRP CE2 C 3.407 8.039 2.841 1.00 . A A . 27 TRP CE2 1 1 1 105 1 1 8 TRP CE3 C 4.230 6.250 1.432 1.00 . A A . 27 TRP CE3 1 1 1 106 1 1 8 TRP CG C 3.871 6.094 4.019 1.00 . A A . 27 TRP CG 1 1 1 107 1 1 8 TRP CH2 C 3.669 8.411 0.479 1.00 . A A . 27 TRP CH2 1 1 1 108 1 1 8 TRP CZ2 C 3.305 8.886 1.739 1.00 . A A . 27 TRP CZ2 1 1 1 109 1 1 8 TRP CZ3 C 4.128 7.093 0.333 1.00 . A A . 27 TRP CZ3 1 1 1 110 1 1 8 TRP H H 5.011 2.349 3.836 1.00 . A A . 27 TRP H 1 1 1 111 1 1 8 TRP HA H 5.730 4.956 2.804 1.00 . A A . 27 TRP HA 1 1 1 112 1 1 8 TRP HB2 H 3.520 4.030 4.045 1.00 . A A . 27 TRP HB2 1 1 1 113 1 1 8 TRP HB3 H 4.378 4.653 5.462 1.00 . A A . 27 TRP HB3 1 1 1 114 1 1 8 TRP HD1 H 3.284 6.859 5.938 1.00 . A A . 27 TRP HD1 1 1 1 115 1 1 8 TRP HE1 H 2.799 9.007 4.585 1.00 . A A . 27 TRP HE1 1 1 1 116 1 1 8 TRP HE3 H 4.581 5.234 1.291 1.00 . A A . 27 TRP HE3 1 1 1 117 1 1 8 TRP HH2 H 3.596 9.056 -0.383 1.00 . A A . 27 TRP HH2 1 1 1 118 1 1 8 TRP HZ2 H 2.950 9.898 1.861 1.00 . A A . 27 TRP HZ2 1 1 1 119 1 1 8 TRP HZ3 H 4.414 6.726 -0.628 1.00 . A A . 27 TRP HZ3 1 1 1 120 1 1 8 TRP N N 5.653 2.953 3.414 1.00 . A A . 27 TRP N 1 1 1 121 1 1 8 TRP NE1 N 3.139 8.179 4.189 1.00 . A A . 27 TRP NE1 1 1 1 122 1 1 8 TRP O O 6.587 4.620 5.889 1.00 . A A . 27 TRP O 1 1 1 123 1 1 9 TYR C C 9.088 4.583 6.269 1.00 . A A . 28 TYR C 1 1 1 124 1 1 9 TYR CA C 8.976 5.568 5.092 1.00 . A A . 28 TYR CA 1 1 1 125 1 1 9 TYR CB C 8.779 6.984 5.636 1.00 . A A . 28 TYR CB 1 1 1 126 1 1 9 TYR CD1 C 9.200 8.523 3.684 1.00 . A A . 28 TYR CD1 1 1 1 127 1 1 9 TYR CD2 C 6.912 8.138 4.380 1.00 . A A . 28 TYR CD2 1 1 1 128 1 1 9 TYR CE1 C 8.752 9.378 2.669 1.00 . A A . 28 TYR CE1 1 1 1 129 1 1 9 TYR CE2 C 6.464 8.998 3.368 1.00 . A A . 28 TYR CE2 1 1 1 130 1 1 9 TYR CG C 8.283 7.902 4.538 1.00 . A A . 28 TYR CG 1 1 1 131 1 1 9 TYR CZ C 7.385 9.614 2.511 1.00 . A A . 28 TYR CZ 1 1 1 132 1 1 9 TYR H H 7.933 5.319 3.212 1.00 . A A . 28 TYR H 1 1 1 133 1 1 9 TYR HA H 9.882 5.530 4.535 1.00 . A A . 28 TYR HA 1 1 1 134 1 1 9 TYR HB2 H 8.057 6.957 6.435 1.00 . A A . 28 TYR HB2 1 1 1 135 1 1 9 TYR HB3 H 9.727 7.357 6.012 1.00 . A A . 28 TYR HB3 1 1 1 136 1 1 9 TYR HD1 H 10.251 8.346 3.813 1.00 . A A . 28 TYR HD1 1 1 1 137 1 1 9 TYR HD2 H 6.202 7.660 5.038 1.00 . A A . 28 TYR HD2 1 1 1 138 1 1 9 TYR HE1 H 9.462 9.847 1.998 1.00 . A A . 28 TYR HE1 1 1 1 139 1 1 9 TYR HE2 H 5.407 9.182 3.243 1.00 . A A . 28 TYR HE2 1 1 1 140 1 1 9 TYR HH H 6.190 10.952 1.864 1.00 . A A . 28 TYR HH 1 1 1 141 1 1 9 TYR N N 7.844 5.205 4.192 1.00 . A A . 28 TYR N 1 1 1 142 1 1 9 TYR O O 9.600 4.923 7.317 1.00 . A A . 28 TYR O 1 1 1 143 1 1 9 TYR OH O 6.946 10.469 1.524 1.00 . A A . 28 TYR OH 1 1 1 144 1 1 10 GLY C C 7.408 1.645 7.422 1.00 . A A . 29 GLY C 1 1 1 145 1 1 10 GLY CA C 8.738 2.383 7.230 1.00 . A A . 29 GLY CA 1 1 1 146 1 1 10 GLY H H 8.227 3.099 5.264 1.00 . A A . 29 GLY H 1 1 1 147 1 1 10 GLY HA2 H 8.989 2.905 8.140 1.00 . A A . 29 GLY HA2 1 1 1 148 1 1 10 GLY HA3 H 9.515 1.667 7.001 1.00 . A A . 29 GLY HA3 1 1 1 149 1 1 10 GLY N N 8.631 3.367 6.112 1.00 . A A . 29 GLY N 1 1 1 150 1 1 10 GLY O O 7.366 0.433 7.495 1.00 . A A . 29 GLY O 1 1 1 151 1 1 11 THR C C 4.533 1.059 6.415 1.00 . A A . 30 THR C 1 1 1 152 1 1 11 THR CA C 5.002 1.706 7.720 1.00 . A A . 30 THR CA 1 1 1 153 1 1 11 THR CB C 3.977 2.752 8.165 1.00 . A A . 30 THR CB 1 1 1 154 1 1 11 THR CG2 C 2.905 2.084 9.027 1.00 . A A . 30 THR CG2 1 1 1 155 1 1 11 THR H H 6.383 3.340 7.465 1.00 . A A . 30 THR H 1 1 1 156 1 1 11 THR HA H 5.093 0.949 8.483 1.00 . A A . 30 THR HA 1 1 1 157 1 1 11 THR HB H 3.511 3.193 7.297 1.00 . A A . 30 THR HB 1 1 1 158 1 1 11 THR HG1 H 4.585 4.582 8.418 1.00 . A A . 30 THR HG1 1 1 1 159 1 1 11 THR HG21 H 3.227 1.089 9.295 1.00 . A A . 30 THR HG21 1 1 1 160 1 1 11 THR HG22 H 2.749 2.666 9.923 1.00 . A A . 30 THR HG22 1 1 1 161 1 1 11 THR HG23 H 1.981 2.025 8.471 1.00 . A A . 30 THR HG23 1 1 1 162 1 1 11 THR N N 6.325 2.365 7.517 1.00 . A A . 30 THR N 1 1 1 163 1 1 11 THR O O 5.234 1.055 5.425 1.00 . A A . 30 THR O 1 1 1 164 1 1 11 THR OG1 O 4.632 3.764 8.919 1.00 . A A . 30 THR OG1 1 1 1 165 1 1 12 LEU C C 1.405 0.317 4.904 1.00 . A A . 31 LEU C 1 1 1 166 1 1 12 LEU CA C 2.828 -0.163 5.189 1.00 . A A . 31 LEU CA 1 1 1 167 1 1 12 LEU CB C 2.805 -1.673 5.416 1.00 . A A . 31 LEU CB 1 1 1 168 1 1 12 LEU CD1 C 4.966 -1.681 4.179 1.00 . A A . 31 LEU CD1 1 1 1 169 1 1 12 LEU CD2 C 3.838 -3.837 4.727 1.00 . A A . 31 LEU CD2 1 1 1 170 1 1 12 LEU CG C 3.617 -2.376 4.330 1.00 . A A . 31 LEU CG 1 1 1 171 1 1 12 LEU H H 2.813 0.498 7.230 1.00 . A A . 31 LEU H 1 1 1 172 1 1 12 LEU HA H 3.461 0.071 4.347 1.00 . A A . 31 LEU HA 1 1 1 173 1 1 12 LEU HB2 H 3.232 -1.890 6.384 1.00 . A A . 31 LEU HB2 1 1 1 174 1 1 12 LEU HB3 H 1.786 -2.024 5.386 1.00 . A A . 31 LEU HB3 1 1 1 175 1 1 12 LEU HD11 H 5.106 -0.990 4.999 1.00 . A A . 31 LEU HD11 1 1 1 176 1 1 12 LEU HD12 H 5.756 -2.417 4.188 1.00 . A A . 31 LEU HD12 1 1 1 177 1 1 12 LEU HD13 H 4.986 -1.140 3.245 1.00 . A A . 31 LEU HD13 1 1 1 178 1 1 12 LEU HD21 H 3.712 -3.943 5.794 1.00 . A A . 31 LEU HD21 1 1 1 179 1 1 12 LEU HD22 H 3.121 -4.461 4.215 1.00 . A A . 31 LEU HD22 1 1 1 180 1 1 12 LEU HD23 H 4.838 -4.137 4.452 1.00 . A A . 31 LEU HD23 1 1 1 181 1 1 12 LEU HG H 3.081 -2.331 3.393 1.00 . A A . 31 LEU HG 1 1 1 182 1 1 12 LEU N N 3.352 0.497 6.416 1.00 . A A . 31 LEU N 1 1 1 183 1 1 12 LEU O O 0.584 0.427 5.791 1.00 . A A . 31 LEU O 1 1 1 184 1 1 13 TYR C C -0.658 0.428 1.964 1.00 . A A . 32 TYR C 1 1 1 185 1 1 13 TYR CA C -0.261 1.050 3.304 1.00 . A A . 32 TYR CA 1 1 1 186 1 1 13 TYR CB C -0.271 2.576 3.164 1.00 . A A . 32 TYR CB 1 1 1 187 1 1 13 TYR CD1 C -1.573 3.256 5.213 1.00 . A A . 32 TYR CD1 1 1 1 188 1 1 13 TYR CD2 C 0.791 3.782 5.106 1.00 . A A . 32 TYR CD2 1 1 1 189 1 1 13 TYR CE1 C -1.648 3.857 6.476 1.00 . A A . 32 TYR CE1 1 1 1 190 1 1 13 TYR CE2 C 0.717 4.382 6.368 1.00 . A A . 32 TYR CE2 1 1 1 191 1 1 13 TYR CG C -0.353 3.219 4.529 1.00 . A A . 32 TYR CG 1 1 1 192 1 1 13 TYR CZ C -0.503 4.420 7.053 1.00 . A A . 32 TYR CZ 1 1 1 193 1 1 13 TYR H H 1.794 0.485 2.966 1.00 . A A . 32 TYR H 1 1 1 194 1 1 13 TYR HA H -0.961 0.750 4.069 1.00 . A A . 32 TYR HA 1 1 1 195 1 1 13 TYR HB2 H 0.642 2.897 2.672 1.00 . A A . 32 TYR HB2 1 1 1 196 1 1 13 TYR HB3 H -1.130 2.877 2.574 1.00 . A A . 32 TYR HB3 1 1 1 197 1 1 13 TYR HD1 H -2.456 2.823 4.768 1.00 . A A . 32 TYR HD1 1 1 1 198 1 1 13 TYR HD2 H 1.731 3.755 4.576 1.00 . A A . 32 TYR HD2 1 1 1 199 1 1 13 TYR HE1 H -2.590 3.888 7.004 1.00 . A A . 32 TYR HE1 1 1 1 200 1 1 13 TYR HE2 H 1.601 4.815 6.813 1.00 . A A . 32 TYR HE2 1 1 1 201 1 1 13 TYR HH H -0.535 4.316 8.960 1.00 . A A . 32 TYR HH 1 1 1 202 1 1 13 TYR N N 1.110 0.590 3.665 1.00 . A A . 32 TYR N 1 1 1 203 1 1 13 TYR O O 0.160 0.310 1.079 1.00 . A A . 32 TYR O 1 1 1 204 1 1 13 TYR OH O -0.578 5.011 8.298 1.00 . A A . 32 TYR OH 1 1 1 205 1 1 14 PRO C C -2.552 0.583 -0.448 1.00 . A A . 33 PRO C 1 1 1 206 1 1 14 PRO CA C -2.423 -0.524 0.592 1.00 . A A . 33 PRO CA 1 1 1 207 1 1 14 PRO CB C -3.786 -1.088 0.994 1.00 . A A . 33 PRO CB 1 1 1 208 1 1 14 PRO CD C -2.914 0.223 2.903 1.00 . A A . 33 PRO CD 1 1 1 209 1 1 14 PRO CG C -4.211 -0.323 2.270 1.00 . A A . 33 PRO CG 1 1 1 210 1 1 14 PRO HA H -1.776 -1.312 0.241 1.00 . A A . 33 PRO HA 1 1 1 211 1 1 14 PRO HB2 H -4.501 -0.922 0.199 1.00 . A A . 33 PRO HB2 1 1 1 212 1 1 14 PRO HB3 H -3.705 -2.141 1.210 1.00 . A A . 33 PRO HB3 1 1 1 213 1 1 14 PRO HD2 H -3.034 1.266 3.167 1.00 . A A . 33 PRO HD2 1 1 1 214 1 1 14 PRO HD3 H -2.639 -0.360 3.768 1.00 . A A . 33 PRO HD3 1 1 1 215 1 1 14 PRO HG2 H -4.873 0.492 2.010 1.00 . A A . 33 PRO HG2 1 1 1 216 1 1 14 PRO HG3 H -4.699 -0.993 2.961 1.00 . A A . 33 PRO HG3 1 1 1 217 1 1 14 PRO N N -1.906 0.066 1.837 1.00 . A A . 33 PRO N 1 1 1 218 1 1 14 PRO O O -2.969 1.679 -0.136 1.00 . A A . 33 PRO O 1 1 1 219 1 1 15 LEU C C -3.670 1.615 -3.201 1.00 . A A . 34 LEU C 1 1 1 220 1 1 15 LEU CA C -2.252 1.418 -2.674 1.00 . A A . 34 LEU CA 1 1 1 221 1 1 15 LEU CB C -1.272 1.107 -3.808 1.00 . A A . 34 LEU CB 1 1 1 222 1 1 15 LEU CD1 C -1.909 3.089 -5.233 1.00 . A A . 34 LEU CD1 1 1 1 223 1 1 15 LEU CD2 C -0.913 1.029 -6.265 1.00 . A A . 34 LEU CD2 1 1 1 224 1 1 15 LEU CG C -1.825 1.557 -5.157 1.00 . A A . 34 LEU CG 1 1 1 225 1 1 15 LEU H H -1.813 -0.540 -1.926 1.00 . A A . 34 LEU H 1 1 1 226 1 1 15 LEU HA H -1.939 2.339 -2.206 1.00 . A A . 34 LEU HA 1 1 1 227 1 1 15 LEU HB2 H -0.355 1.635 -3.618 1.00 . A A . 34 LEU HB2 1 1 1 228 1 1 15 LEU HB3 H -1.079 0.048 -3.834 1.00 . A A . 34 LEU HB3 1 1 1 229 1 1 15 LEU HD11 H -1.092 3.521 -4.675 1.00 . A A . 34 LEU HD11 1 1 1 230 1 1 15 LEU HD12 H -1.857 3.405 -6.261 1.00 . A A . 34 LEU HD12 1 1 1 231 1 1 15 LEU HD13 H -2.842 3.429 -4.821 1.00 . A A . 34 LEU HD13 1 1 1 232 1 1 15 LEU HD21 H -0.847 -0.046 -6.192 1.00 . A A . 34 LEU HD21 1 1 1 233 1 1 15 LEU HD22 H -1.321 1.297 -7.225 1.00 . A A . 34 LEU HD22 1 1 1 234 1 1 15 LEU HD23 H 0.072 1.456 -6.155 1.00 . A A . 34 LEU HD23 1 1 1 235 1 1 15 LEU HG H -2.801 1.137 -5.273 1.00 . A A . 34 LEU HG 1 1 1 236 1 1 15 LEU N N -2.171 0.339 -1.670 1.00 . A A . 34 LEU N 1 1 1 237 1 1 15 LEU O O -4.371 0.695 -3.570 1.00 . A A . 34 LEU O 1 1 1 238 1 1 16 CYS C C -5.125 3.641 -5.296 1.00 . A A . 35 CYS C 1 1 1 239 1 1 16 CYS CA C -5.345 3.260 -3.834 1.00 . A A . 35 CYS CA 1 1 1 240 1 1 16 CYS CB C -5.825 4.497 -3.098 1.00 . A A . 35 CYS CB 1 1 1 241 1 1 16 CYS H H -3.399 3.539 -3.011 1.00 . A A . 35 CYS H 1 1 1 242 1 1 16 CYS HA H -6.064 2.461 -3.748 1.00 . A A . 35 CYS HA 1 1 1 243 1 1 16 CYS HB2 H -5.132 4.731 -2.305 1.00 . A A . 35 CYS HB2 1 1 1 244 1 1 16 CYS HB3 H -5.858 5.318 -3.798 1.00 . A A . 35 CYS HB3 1 1 1 245 1 1 16 CYS N N -4.033 2.853 -3.283 1.00 . A A . 35 CYS N 1 1 1 246 1 1 16 CYS O O -4.758 4.758 -5.604 1.00 . A A . 35 CYS O 1 1 1 247 1 1 16 CYS SG S -7.472 4.205 -2.409 1.00 . A A . 35 CYS SG 1 1 1 248 1 1 17 VAL C C -6.196 3.974 -8.144 1.00 . A A . 36 VAL C 1 1 1 249 1 1 17 VAL CA C -5.084 3.057 -7.629 1.00 . A A . 36 VAL CA 1 1 1 250 1 1 17 VAL CB C -4.995 1.764 -8.442 1.00 . A A . 36 VAL CB 1 1 1 251 1 1 17 VAL CG1 C -5.287 2.046 -9.919 1.00 . A A . 36 VAL CG1 1 1 1 252 1 1 17 VAL CG2 C -3.574 1.205 -8.302 1.00 . A A . 36 VAL CG2 1 1 1 253 1 1 17 VAL H H -5.595 1.837 -5.926 1.00 . A A . 36 VAL H 1 1 1 254 1 1 17 VAL HA H -4.142 3.583 -7.711 1.00 . A A . 36 VAL HA 1 1 1 255 1 1 17 VAL HB H -5.706 1.046 -8.061 1.00 . A A . 36 VAL HB 1 1 1 256 1 1 17 VAL HG11 H -4.731 2.917 -10.236 1.00 . A A . 36 VAL HG11 1 1 1 257 1 1 17 VAL HG12 H -4.991 1.195 -10.513 1.00 . A A . 36 VAL HG12 1 1 1 258 1 1 17 VAL HG13 H -6.344 2.226 -10.049 1.00 . A A . 36 VAL HG13 1 1 1 259 1 1 17 VAL HG21 H -2.940 1.943 -7.819 1.00 . A A . 36 VAL HG21 1 1 1 260 1 1 17 VAL HG22 H -3.597 0.306 -7.704 1.00 . A A . 36 VAL HG22 1 1 1 261 1 1 17 VAL HG23 H -3.178 0.978 -9.280 1.00 . A A . 36 VAL HG23 1 1 1 262 1 1 17 VAL N N -5.317 2.731 -6.194 1.00 . A A . 36 VAL N 1 1 1 263 1 1 17 VAL O O -5.948 4.871 -8.922 1.00 . A A . 36 VAL O 1 1 1 264 1 1 18 THR C C -8.201 6.068 -7.536 1.00 . A A . 37 THR C 1 1 1 265 1 1 18 THR CA C -8.486 4.720 -8.160 1.00 . A A . 37 THR CA 1 1 1 266 1 1 18 THR CB C -9.858 4.204 -7.719 1.00 . A A . 37 THR CB 1 1 1 267 1 1 18 THR CG2 C -10.300 3.069 -8.643 1.00 . A A . 37 THR CG2 1 1 1 268 1 1 18 THR H H -7.605 3.091 -7.050 1.00 . A A . 37 THR H 1 1 1 269 1 1 18 THR HA H -8.449 4.829 -9.236 1.00 . A A . 37 THR HA 1 1 1 270 1 1 18 THR HB H -10.578 5.006 -7.770 1.00 . A A . 37 THR HB 1 1 1 271 1 1 18 THR HG1 H -10.432 4.191 -5.860 1.00 . A A . 37 THR HG1 1 1 1 272 1 1 18 THR HG21 H -10.294 3.415 -9.666 1.00 . A A . 37 THR HG21 1 1 1 273 1 1 18 THR HG22 H -9.622 2.235 -8.540 1.00 . A A . 37 THR HG22 1 1 1 274 1 1 18 THR HG23 H -11.299 2.756 -8.376 1.00 . A A . 37 THR HG23 1 1 1 275 1 1 18 THR N N -7.411 3.797 -7.701 1.00 . A A . 37 THR N 1 1 1 276 1 1 18 THR O O -8.390 7.103 -8.144 1.00 . A A . 37 THR O 1 1 1 277 1 1 18 THR OG1 O -9.774 3.727 -6.384 1.00 . A A . 37 THR OG1 1 1 1 278 1 1 19 THR C C -5.818 7.549 -5.953 1.00 . A A . 38 THR C 1 1 1 279 1 1 19 THR CA C -7.315 7.349 -5.723 1.00 . A A . 38 THR CA 1 1 1 280 1 1 19 THR CB C -7.627 7.363 -4.234 1.00 . A A . 38 THR CB 1 1 1 281 1 1 19 THR CG2 C -7.086 8.667 -3.674 1.00 . A A . 38 THR CG2 1 1 1 282 1 1 19 THR H H -7.488 5.219 -5.889 1.00 . A A . 38 THR H 1 1 1 283 1 1 19 THR HA H -7.856 8.146 -6.213 1.00 . A A . 38 THR HA 1 1 1 284 1 1 19 THR HB H -7.149 6.536 -3.744 1.00 . A A . 38 THR HB 1 1 1 285 1 1 19 THR HG1 H -9.195 7.028 -3.132 1.00 . A A . 38 THR HG1 1 1 1 286 1 1 19 THR HG21 H -6.751 9.283 -4.502 1.00 . A A . 38 THR HG21 1 1 1 287 1 1 19 THR HG22 H -7.862 9.181 -3.129 1.00 . A A . 38 THR HG22 1 1 1 288 1 1 19 THR HG23 H -6.253 8.461 -3.022 1.00 . A A . 38 THR HG23 1 1 1 289 1 1 19 THR N N -7.681 6.065 -6.345 1.00 . A A . 38 THR N 1 1 1 290 1 1 19 THR O O -5.130 8.227 -5.217 1.00 . A A . 38 THR O 1 1 1 291 1 1 19 THR OG1 O -9.034 7.296 -4.039 1.00 . A A . 38 THR OG1 1 1 1 292 1 1 20 THR C C -3.635 8.632 -7.579 1.00 . A A . 39 THR C 1 1 1 293 1 1 20 THR CA C -3.892 7.147 -7.387 1.00 . A A . 39 THR CA 1 1 1 294 1 1 20 THR CB C -3.608 6.423 -8.705 1.00 . A A . 39 THR CB 1 1 1 295 1 1 20 THR CG2 C -4.614 6.875 -9.764 1.00 . A A . 39 THR CG2 1 1 1 296 1 1 20 THR H H -5.922 6.482 -7.597 1.00 . A A . 39 THR H 1 1 1 297 1 1 20 THR HA H -3.266 6.759 -6.611 1.00 . A A . 39 THR HA 1 1 1 298 1 1 20 THR HB H -3.692 5.357 -8.562 1.00 . A A . 39 THR HB 1 1 1 299 1 1 20 THR HG1 H -2.327 7.601 -9.573 1.00 . A A . 39 THR HG1 1 1 1 300 1 1 20 THR HG21 H -5.475 7.312 -9.280 1.00 . A A . 39 THR HG21 1 1 1 301 1 1 20 THR HG22 H -4.153 7.609 -10.409 1.00 . A A . 39 THR HG22 1 1 1 302 1 1 20 THR HG23 H -4.924 6.025 -10.353 1.00 . A A . 39 THR HG23 1 1 1 303 1 1 20 THR N N -5.328 6.984 -7.020 1.00 . A A . 39 THR N 1 1 1 304 1 1 20 THR O O -2.515 9.098 -7.630 1.00 . A A . 39 THR O 1 1 1 305 1 1 20 THR OG1 O -2.295 6.746 -9.139 1.00 . A A . 39 THR OG1 1 1 1 306 1 1 21 ASN C C -4.446 11.520 -6.532 1.00 . A A . 40 ASN C 1 1 1 307 1 1 21 ASN CA C -4.634 10.826 -7.888 1.00 . A A . 40 ASN CA 1 1 1 308 1 1 21 ASN CB C -5.967 11.238 -8.494 1.00 . A A . 40 ASN CB 1 1 1 309 1 1 21 ASN CG C -5.773 12.454 -9.402 1.00 . A A . 40 ASN CG 1 1 1 310 1 1 21 ASN H H -5.571 8.934 -7.652 1.00 . A A . 40 ASN H 1 1 1 311 1 1 21 ASN HA H -3.828 11.080 -8.557 1.00 . A A . 40 ASN HA 1 1 1 312 1 1 21 ASN HB2 H -6.368 10.403 -9.066 1.00 . A A . 40 ASN HB2 1 1 1 313 1 1 21 ASN HB3 H -6.649 11.483 -7.698 1.00 . A A . 40 ASN HB3 1 1 1 314 1 1 21 ASN HD21 H -5.944 11.406 -11.080 1.00 . A A . 40 ASN HD21 1 1 1 315 1 1 21 ASN HD22 H -5.678 13.069 -11.287 1.00 . A A . 40 ASN HD22 1 1 1 316 1 1 21 ASN N N -4.699 9.363 -7.691 1.00 . A A . 40 ASN N 1 1 1 317 1 1 21 ASN ND2 N -5.800 12.296 -10.697 1.00 . A A . 40 ASN ND2 1 1 1 318 1 1 21 ASN O O -5.054 12.532 -6.249 1.00 . A A . 40 ASN O 1 1 1 319 1 1 21 ASN OD1 O -5.595 13.558 -8.928 1.00 . A A . 40 ASN OD1 1 1 1 320 1 1 22 GLY C C -3.680 10.520 -3.272 1.00 . A A . 41 GLY C 1 1 1 321 1 1 22 GLY CA C -3.378 11.569 -4.347 1.00 . A A . 41 GLY CA 1 1 1 322 1 1 22 GLY H H -3.147 10.157 -5.946 1.00 . A A . 41 GLY H 1 1 1 323 1 1 22 GLY HA2 H -4.026 12.419 -4.208 1.00 . A A . 41 GLY HA2 1 1 1 324 1 1 22 GLY HA3 H -2.344 11.882 -4.266 1.00 . A A . 41 GLY HA3 1 1 1 325 1 1 22 GLY N N -3.613 10.970 -5.692 1.00 . A A . 41 GLY N 1 1 1 326 1 1 22 GLY O O -3.732 9.337 -3.546 1.00 . A A . 41 GLY O 1 1 1 327 1 1 23 TRP C C -5.656 9.553 -1.039 1.00 . A A . 42 TRP C 1 1 1 328 1 1 23 TRP CA C -4.180 9.957 -0.968 1.00 . A A . 42 TRP CA 1 1 1 329 1 1 23 TRP CB C -3.907 10.594 0.395 1.00 . A A . 42 TRP CB 1 1 1 330 1 1 23 TRP CD1 C -1.407 10.993 0.337 1.00 . A A . 42 TRP CD1 1 1 1 331 1 1 23 TRP CD2 C -1.997 9.398 1.807 1.00 . A A . 42 TRP CD2 1 1 1 332 1 1 23 TRP CE2 C -0.593 9.529 1.890 1.00 . A A . 42 TRP CE2 1 1 1 333 1 1 23 TRP CE3 C -2.624 8.453 2.633 1.00 . A A . 42 TRP CE3 1 1 1 334 1 1 23 TRP CG C -2.494 10.344 0.817 1.00 . A A . 42 TRP CG 1 1 1 335 1 1 23 TRP CH2 C -0.479 7.812 3.583 1.00 . A A . 42 TRP CH2 1 1 1 336 1 1 23 TRP CZ2 C 0.163 8.748 2.767 1.00 . A A . 42 TRP CZ2 1 1 1 337 1 1 23 TRP CZ3 C -1.871 7.664 3.514 1.00 . A A . 42 TRP CZ3 1 1 1 338 1 1 23 TRP H H -3.835 11.897 -1.847 1.00 . A A . 42 TRP H 1 1 1 339 1 1 23 TRP HA H -3.558 9.082 -1.090 1.00 . A A . 42 TRP HA 1 1 1 340 1 1 23 TRP HB2 H -4.078 11.657 0.335 1.00 . A A . 42 TRP HB2 1 1 1 341 1 1 23 TRP HB3 H -4.579 10.167 1.128 1.00 . A A . 42 TRP HB3 1 1 1 342 1 1 23 TRP HD1 H -1.412 11.759 -0.416 1.00 . A A . 42 TRP HD1 1 1 1 343 1 1 23 TRP HE1 H 0.626 10.826 0.806 1.00 . A A . 42 TRP HE1 1 1 1 344 1 1 23 TRP HE3 H -3.691 8.327 2.585 1.00 . A A . 42 TRP HE3 1 1 1 345 1 1 23 TRP HH2 H 0.098 7.200 4.264 1.00 . A A . 42 TRP HH2 1 1 1 346 1 1 23 TRP HZ2 H 1.233 8.870 2.816 1.00 . A A . 42 TRP HZ2 1 1 1 347 1 1 23 TRP HZ3 H -2.369 6.942 4.143 1.00 . A A . 42 TRP HZ3 1 1 1 348 1 1 23 TRP N N -3.880 10.939 -2.052 1.00 . A A . 42 TRP N 1 1 1 349 1 1 23 TRP NE1 N -0.284 10.516 0.973 1.00 . A A . 42 TRP NE1 1 1 1 350 1 1 23 TRP O O -6.519 10.366 -1.301 1.00 . A A . 42 TRP O 1 1 1 351 1 1 24 GLY C C -7.653 6.920 0.331 1.00 . A A . 43 GLY C 1 1 1 352 1 1 24 GLY CA C -7.369 7.849 -0.852 1.00 . A A . 43 GLY CA 1 1 1 353 1 1 24 GLY H H -5.239 7.666 -0.593 1.00 . A A . 43 GLY H 1 1 1 354 1 1 24 GLY HA2 H -7.547 7.314 -1.772 1.00 . A A . 43 GLY HA2 1 1 1 355 1 1 24 GLY HA3 H -8.024 8.707 -0.801 1.00 . A A . 43 GLY HA3 1 1 1 356 1 1 24 GLY N N -5.951 8.303 -0.804 1.00 . A A . 43 GLY N 1 1 1 357 1 1 24 GLY O O -6.844 6.773 1.226 1.00 . A A . 43 GLY O 1 1 1 358 1 1 25 TRP C C -9.833 4.126 0.899 1.00 . A A . 44 TRP C 1 1 1 359 1 1 25 TRP CA C -9.137 5.368 1.459 1.00 . A A . 44 TRP CA 1 1 1 360 1 1 25 TRP CB C -10.076 6.076 2.436 1.00 . A A . 44 TRP CB 1 1 1 361 1 1 25 TRP CD1 C -11.248 4.263 3.721 1.00 . A A . 44 TRP CD1 1 1 1 362 1 1 25 TRP CD2 C -9.587 5.203 4.888 1.00 . A A . 44 TRP CD2 1 1 1 363 1 1 25 TRP CE2 C -10.158 4.214 5.713 1.00 . A A . 44 TRP CE2 1 1 1 364 1 1 25 TRP CE3 C -8.514 5.946 5.391 1.00 . A A . 44 TRP CE3 1 1 1 365 1 1 25 TRP CG C -10.300 5.212 3.625 1.00 . A A . 44 TRP CG 1 1 1 366 1 1 25 TRP CH2 C -8.619 4.708 7.487 1.00 . A A . 44 TRP CH2 1 1 1 367 1 1 25 TRP CZ2 C -9.692 3.963 6.987 1.00 . A A . 44 TRP CZ2 1 1 1 368 1 1 25 TRP CZ3 C -8.029 5.702 6.688 1.00 . A A . 44 TRP CZ3 1 1 1 369 1 1 25 TRP H H -9.433 6.424 -0.394 1.00 . A A . 44 TRP H 1 1 1 370 1 1 25 TRP HA H -8.233 5.077 1.977 1.00 . A A . 44 TRP HA 1 1 1 371 1 1 25 TRP HB2 H -9.637 7.003 2.750 1.00 . A A . 44 TRP HB2 1 1 1 372 1 1 25 TRP HB3 H -11.017 6.273 1.954 1.00 . A A . 44 TRP HB3 1 1 1 373 1 1 25 TRP HD1 H -11.952 4.011 2.959 1.00 . A A . 44 TRP HD1 1 1 1 374 1 1 25 TRP HE1 H -11.732 2.952 5.288 1.00 . A A . 44 TRP HE1 1 1 1 375 1 1 25 TRP HE3 H -8.061 6.710 4.774 1.00 . A A . 44 TRP HE3 1 1 1 376 1 1 25 TRP HH2 H -8.247 4.520 8.484 1.00 . A A . 44 TRP HH2 1 1 1 377 1 1 25 TRP HZ2 H -10.163 3.196 7.580 1.00 . A A . 44 TRP HZ2 1 1 1 378 1 1 25 TRP HZ3 H -7.201 6.279 7.072 1.00 . A A . 44 TRP HZ3 1 1 1 379 1 1 25 TRP N N -8.796 6.290 0.339 1.00 . A A . 44 TRP N 1 1 1 380 1 1 25 TRP NE1 N -11.161 3.671 4.961 1.00 . A A . 44 TRP NE1 1 1 1 381 1 1 25 TRP O O -10.709 4.220 0.062 1.00 . A A . 44 TRP O 1 1 1 382 1 1 26 GLU C C -9.683 0.532 1.711 1.00 . A A . 45 GLU C 1 1 1 383 1 1 26 GLU CA C -10.099 1.718 0.840 1.00 . A A . 45 GLU CA 1 1 1 384 1 1 26 GLU CB C -9.657 1.470 -0.604 1.00 . A A . 45 GLU CB 1 1 1 385 1 1 26 GLU CD C -8.089 -0.464 -0.818 1.00 . A A . 45 GLU CD 1 1 1 386 1 1 26 GLU CG C -8.185 1.051 -0.622 1.00 . A A . 45 GLU CG 1 1 1 387 1 1 26 GLU H H -8.746 2.904 2.026 1.00 . A A . 45 GLU H 1 1 1 388 1 1 26 GLU HA H -11.173 1.830 0.873 1.00 . A A . 45 GLU HA 1 1 1 389 1 1 26 GLU HB2 H -10.262 0.686 -1.035 1.00 . A A . 45 GLU HB2 1 1 1 390 1 1 26 GLU HB3 H -9.778 2.377 -1.179 1.00 . A A . 45 GLU HB3 1 1 1 391 1 1 26 GLU HG2 H -7.678 1.552 -1.435 1.00 . A A . 45 GLU HG2 1 1 1 392 1 1 26 GLU HG3 H -7.722 1.320 0.314 1.00 . A A . 45 GLU HG3 1 1 1 393 1 1 26 GLU N N -9.454 2.962 1.351 1.00 . A A . 45 GLU N 1 1 1 394 1 1 26 GLU O O -8.746 0.613 2.479 1.00 . A A . 45 GLU O 1 1 1 395 1 1 26 GLU OE1 O -9.127 -1.097 -0.910 1.00 . A A . 45 GLU OE1 1 1 1 396 1 1 26 GLU OE2 O -6.978 -0.964 -0.872 1.00 . A A . 45 GLU OE2 1 1 1 397 1 1 27 ASP C C -10.264 -1.449 3.897 1.00 . A A . 46 ASP C 1 1 1 398 1 1 27 ASP CA C -10.007 -1.760 2.424 1.00 . A A . 46 ASP CA 1 1 1 399 1 1 27 ASP CB C -8.529 -2.073 2.231 1.00 . A A . 46 ASP CB 1 1 1 400 1 1 27 ASP CG C -8.377 -3.319 1.357 1.00 . A A . 46 ASP CG 1 1 1 401 1 1 27 ASP H H -11.123 -0.621 0.974 1.00 . A A . 46 ASP H 1 1 1 402 1 1 27 ASP HA H -10.600 -2.609 2.122 1.00 . A A . 46 ASP HA 1 1 1 403 1 1 27 ASP HB2 H -8.048 -1.234 1.752 1.00 . A A . 46 ASP HB2 1 1 1 404 1 1 27 ASP HB3 H -8.076 -2.250 3.192 1.00 . A A . 46 ASP HB3 1 1 1 405 1 1 27 ASP N N -10.370 -0.573 1.598 1.00 . A A . 46 ASP N 1 1 1 406 1 1 27 ASP O O -9.578 -1.932 4.776 1.00 . A A . 46 ASP O 1 1 1 407 1 1 27 ASP OD1 O -8.929 -4.345 1.721 1.00 . A A . 46 ASP OD1 1 1 1 408 1 1 27 ASP OD2 O -7.711 -3.228 0.339 1.00 . A A . 46 ASP OD2 1 1 1 409 1 1 28 GLN C C -10.331 0.373 6.212 1.00 . A A . 47 GLN C 1 1 1 410 1 1 28 GLN CA C -11.554 -0.289 5.579 1.00 . A A . 47 GLN CA 1 1 1 411 1 1 28 GLN CB C -11.910 -1.561 6.341 1.00 . A A . 47 GLN CB 1 1 1 412 1 1 28 GLN CD C -13.429 -2.482 8.099 1.00 . A A . 47 GLN CD 1 1 1 413 1 1 28 GLN CG C -12.781 -1.210 7.549 1.00 . A A . 47 GLN CG 1 1 1 414 1 1 28 GLN H H -11.778 -0.271 3.444 1.00 . A A . 47 GLN H 1 1 1 415 1 1 28 GLN HA H -12.390 0.394 5.606 1.00 . A A . 47 GLN HA 1 1 1 416 1 1 28 GLN HB2 H -12.452 -2.225 5.683 1.00 . A A . 47 GLN HB2 1 1 1 417 1 1 28 GLN HB3 H -11.007 -2.045 6.678 1.00 . A A . 47 GLN HB3 1 1 1 418 1 1 28 GLN HE21 H -13.242 -1.925 9.996 1.00 . A A . 47 GLN HE21 1 1 1 419 1 1 28 GLN HE22 H -13.972 -3.438 9.752 1.00 . A A . 47 GLN HE22 1 1 1 420 1 1 28 GLN HG2 H -12.167 -0.756 8.315 1.00 . A A . 47 GLN HG2 1 1 1 421 1 1 28 GLN HG3 H -13.553 -0.517 7.248 1.00 . A A . 47 GLN HG3 1 1 1 422 1 1 28 GLN N N -11.246 -0.643 4.169 1.00 . A A . 47 GLN N 1 1 1 423 1 1 28 GLN NE2 N -13.559 -2.628 9.389 1.00 . A A . 47 GLN NE2 1 1 1 424 1 1 28 GLN O O -10.226 0.492 7.416 1.00 . A A . 47 GLN O 1 1 1 425 1 1 28 GLN OE1 O -13.821 -3.352 7.348 1.00 . A A . 47 GLN OE1 1 1 1 426 1 1 29 ARG C C -7.787 2.613 5.004 1.00 . A A . 48 ARG C 1 1 1 427 1 1 29 ARG CA C -8.186 1.471 5.939 1.00 . A A . 48 ARG CA 1 1 1 428 1 1 29 ARG CB C -7.047 0.452 6.020 1.00 . A A . 48 ARG CB 1 1 1 429 1 1 29 ARG CD C -5.706 -0.871 7.662 1.00 . A A . 48 ARG CD 1 1 1 430 1 1 29 ARG CG C -7.069 -0.232 7.389 1.00 . A A . 48 ARG CG 1 1 1 431 1 1 29 ARG CZ C -4.656 -0.310 9.771 1.00 . A A . 48 ARG CZ 1 1 1 432 1 1 29 ARG H H -9.517 0.703 4.434 1.00 . A A . 48 ARG H 1 1 1 433 1 1 29 ARG HA H -8.392 1.864 6.923 1.00 . A A . 48 ARG HA 1 1 1 434 1 1 29 ARG HB2 H -7.171 -0.290 5.244 1.00 . A A . 48 ARG HB2 1 1 1 435 1 1 29 ARG HB3 H -6.102 0.956 5.888 1.00 . A A . 48 ARG HB3 1 1 1 436 1 1 29 ARG HD2 H -5.848 -1.821 8.156 1.00 . A A . 48 ARG HD2 1 1 1 437 1 1 29 ARG HD3 H -5.187 -1.026 6.728 1.00 . A A . 48 ARG HD3 1 1 1 438 1 1 29 ARG HE H -4.558 0.876 8.182 1.00 . A A . 48 ARG HE 1 1 1 439 1 1 29 ARG HG2 H -7.284 0.501 8.153 1.00 . A A . 48 ARG HG2 1 1 1 440 1 1 29 ARG HG3 H -7.832 -0.996 7.397 1.00 . A A . 48 ARG HG3 1 1 1 441 1 1 29 ARG HH11 H -6.497 -1.026 10.103 1.00 . A A . 48 ARG HH11 1 1 1 442 1 1 29 ARG HH12 H -5.404 -1.122 11.442 1.00 . A A . 48 ARG HH12 1 1 1 443 1 1 29 ARG HH21 H -2.759 0.326 9.730 1.00 . A A . 48 ARG HH21 1 1 1 444 1 1 29 ARG HH22 H -3.287 -0.358 11.231 1.00 . A A . 48 ARG HH22 1 1 1 445 1 1 29 ARG N N -9.406 0.809 5.401 1.00 . A A . 48 ARG N 1 1 1 446 1 1 29 ARG NE N -4.902 0.028 8.536 1.00 . A A . 48 ARG NE 1 1 1 447 1 1 29 ARG NH1 N -5.591 -0.863 10.495 1.00 . A A . 48 ARG NH1 1 1 1 448 1 1 29 ARG NH2 N -3.475 -0.098 10.284 1.00 . A A . 48 ARG NH2 1 1 1 449 1 1 29 ARG O O -8.529 2.987 4.117 1.00 . A A . 48 ARG O 1 1 1 450 1 1 30 SER C C -5.319 3.736 3.173 1.00 . A A . 49 SER C 1 1 1 451 1 1 30 SER CA C -6.189 4.288 4.304 1.00 . A A . 49 SER CA 1 1 1 452 1 1 30 SER CB C -5.381 5.301 5.116 1.00 . A A . 49 SER CB 1 1 1 453 1 1 30 SER H H -6.036 2.857 5.909 1.00 . A A . 49 SER H 1 1 1 454 1 1 30 SER HA H -7.060 4.773 3.885 1.00 . A A . 49 SER HA 1 1 1 455 1 1 30 SER HB2 H -4.651 5.773 4.481 1.00 . A A . 49 SER HB2 1 1 1 456 1 1 30 SER HB3 H -6.047 6.055 5.515 1.00 . A A . 49 SER HB3 1 1 1 457 1 1 30 SER HG H -4.889 5.110 6.988 1.00 . A A . 49 SER HG 1 1 1 458 1 1 30 SER N N -6.624 3.172 5.189 1.00 . A A . 49 SER N 1 1 1 459 1 1 30 SER O O -4.425 2.943 3.394 1.00 . A A . 49 SER O 1 1 1 460 1 1 30 SER OG O -4.714 4.629 6.176 1.00 . A A . 49 SER OG 1 1 1 461 1 1 31 CYS C C -3.957 4.835 0.235 1.00 . A A . 50 CYS C 1 1 1 462 1 1 31 CYS CA C -4.748 3.664 0.820 1.00 . A A . 50 CYS CA 1 1 1 463 1 1 31 CYS CB C -5.662 3.072 -0.259 1.00 . A A . 50 CYS CB 1 1 1 464 1 1 31 CYS H H -6.288 4.802 1.810 1.00 . A A . 50 CYS H 1 1 1 465 1 1 31 CYS HA H -4.063 2.907 1.169 1.00 . A A . 50 CYS HA 1 1 1 466 1 1 31 CYS HB2 H -5.139 3.056 -1.203 1.00 . A A . 50 CYS HB2 1 1 1 467 1 1 31 CYS HB3 H -5.935 2.064 0.018 1.00 . A A . 50 CYS HB3 1 1 1 468 1 1 31 CYS N N -5.567 4.157 1.965 1.00 . A A . 50 CYS N 1 1 1 469 1 1 31 CYS O O -4.404 5.963 0.252 1.00 . A A . 50 CYS O 1 1 1 470 1 1 31 CYS SG S -7.158 4.080 -0.416 1.00 . A A . 50 CYS SG 1 1 1 471 1 1 32 ILE C C -1.930 5.554 -2.372 1.00 . A A . 51 ILE C 1 1 1 472 1 1 32 ILE CA C -1.972 5.689 -0.848 1.00 . A A . 51 ILE CA 1 1 1 473 1 1 32 ILE CB C -0.559 5.631 -0.267 1.00 . A A . 51 ILE CB 1 1 1 474 1 1 32 ILE CD1 C 0.802 6.114 1.752 1.00 . A A . 51 ILE CD1 1 1 1 475 1 1 32 ILE CG1 C -0.528 6.390 1.049 1.00 . A A . 51 ILE CG1 1 1 1 476 1 1 32 ILE CG2 C 0.430 6.292 -1.216 1.00 . A A . 51 ILE CG2 1 1 1 477 1 1 32 ILE H H -2.432 3.670 -0.274 1.00 . A A . 51 ILE H 1 1 1 478 1 1 32 ILE HA H -2.426 6.634 -0.589 1.00 . A A . 51 ILE HA 1 1 1 479 1 1 32 ILE HB H -0.275 4.602 -0.101 1.00 . A A . 51 ILE HB 1 1 1 480 1 1 32 ILE HD11 H 1.340 5.348 1.215 1.00 . A A . 51 ILE HD11 1 1 1 481 1 1 32 ILE HD12 H 1.392 7.018 1.774 1.00 . A A . 51 ILE HD12 1 1 1 482 1 1 32 ILE HD13 H 0.615 5.781 2.762 1.00 . A A . 51 ILE HD13 1 1 1 483 1 1 32 ILE HG12 H -0.622 7.448 0.844 1.00 . A A . 51 ILE HG12 1 1 1 484 1 1 32 ILE HG13 H -1.345 6.066 1.675 1.00 . A A . 51 ILE HG13 1 1 1 485 1 1 32 ILE HG21 H 0.133 7.319 -1.380 1.00 . A A . 51 ILE HG21 1 1 1 486 1 1 32 ILE HG22 H 1.414 6.265 -0.773 1.00 . A A . 51 ILE HG22 1 1 1 487 1 1 32 ILE HG23 H 0.433 5.759 -2.158 1.00 . A A . 51 ILE HG23 1 1 1 488 1 1 32 ILE N N -2.783 4.583 -0.275 1.00 . A A . 51 ILE N 1 1 1 489 1 1 32 ILE O O -1.673 4.497 -2.908 1.00 . A A . 51 ILE O 1 1 1 490 1 1 33 ALA C C -1.035 5.755 -5.100 1.00 . A A . 52 ALA C 1 1 1 491 1 1 33 ALA CA C -2.190 6.598 -4.554 1.00 . A A . 52 ALA CA 1 1 1 492 1 1 33 ALA CB C -2.082 8.018 -5.084 1.00 . A A . 52 ALA CB 1 1 1 493 1 1 33 ALA H H -2.392 7.464 -2.592 1.00 . A A . 52 ALA H 1 1 1 494 1 1 33 ALA HA H -3.120 6.168 -4.887 1.00 . A A . 52 ALA HA 1 1 1 495 1 1 33 ALA HB1 H -3.070 8.376 -5.323 1.00 . A A . 52 ALA HB1 1 1 1 496 1 1 33 ALA HB2 H -1.465 8.026 -5.973 1.00 . A A . 52 ALA HB2 1 1 1 497 1 1 33 ALA HB3 H -1.640 8.651 -4.330 1.00 . A A . 52 ALA HB3 1 1 1 498 1 1 33 ALA N N -2.186 6.627 -3.062 1.00 . A A . 52 ALA N 1 1 1 499 1 1 33 ALA O O -0.151 5.365 -4.385 1.00 . A A . 52 ALA O 1 1 1 500 1 1 34 ARG C C 1.389 5.164 -6.768 1.00 . A A . 53 ARG C 1 1 1 501 1 1 34 ARG CA C -0.006 4.593 -6.987 1.00 . A A . 53 ARG CA 1 1 1 502 1 1 34 ARG CB C -0.257 4.504 -8.495 1.00 . A A . 53 ARG CB 1 1 1 503 1 1 34 ARG CD C -0.246 2.888 -10.393 1.00 . A A . 53 ARG CD 1 1 1 504 1 1 34 ARG CG C -0.520 3.057 -8.897 1.00 . A A . 53 ARG CG 1 1 1 505 1 1 34 ARG CZ C -0.436 1.111 -12.029 1.00 . A A . 53 ARG CZ 1 1 1 506 1 1 34 ARG H H -1.807 5.763 -6.926 1.00 . A A . 53 ARG H 1 1 1 507 1 1 34 ARG HA H -0.053 3.604 -6.557 1.00 . A A . 53 ARG HA 1 1 1 508 1 1 34 ARG HB2 H -1.114 5.105 -8.750 1.00 . A A . 53 ARG HB2 1 1 1 509 1 1 34 ARG HB3 H 0.610 4.869 -9.025 1.00 . A A . 53 ARG HB3 1 1 1 510 1 1 34 ARG HD2 H -0.942 3.492 -10.956 1.00 . A A . 53 ARG HD2 1 1 1 511 1 1 34 ARG HD3 H 0.763 3.201 -10.612 1.00 . A A . 53 ARG HD3 1 1 1 512 1 1 34 ARG HE H -0.508 0.773 -10.073 1.00 . A A . 53 ARG HE 1 1 1 513 1 1 34 ARG HG2 H 0.130 2.404 -8.335 1.00 . A A . 53 ARG HG2 1 1 1 514 1 1 34 ARG HG3 H -1.550 2.813 -8.692 1.00 . A A . 53 ARG HG3 1 1 1 515 1 1 34 ARG HH11 H 1.520 0.688 -12.103 1.00 . A A . 53 ARG HH11 1 1 1 516 1 1 34 ARG HH12 H 0.646 0.459 -13.581 1.00 . A A . 53 ARG HH12 1 1 1 517 1 1 34 ARG HH21 H -2.395 1.456 -12.249 1.00 . A A . 53 ARG HH21 1 1 1 518 1 1 34 ARG HH22 H -1.570 0.893 -13.663 1.00 . A A . 53 ARG HH22 1 1 1 519 1 1 34 ARG N N -1.065 5.452 -6.373 1.00 . A A . 53 ARG N 1 1 1 520 1 1 34 ARG NE N -0.414 1.456 -10.770 1.00 . A A . 53 ARG NE 1 1 1 521 1 1 34 ARG NH1 N 0.662 0.723 -12.617 1.00 . A A . 53 ARG NH1 1 1 1 522 1 1 34 ARG NH2 N -1.553 1.158 -12.699 1.00 . A A . 53 ARG NH2 1 1 1 523 1 1 34 ARG O O 2.131 4.695 -5.945 1.00 . A A . 53 ARG O 1 1 1 524 1 1 35 SER C C 3.315 7.149 -5.903 1.00 . A A . 54 SER C 1 1 1 525 1 1 35 SER CA C 3.152 6.644 -7.333 1.00 . A A . 54 SER CA 1 1 1 526 1 1 35 SER CB C 3.427 7.769 -8.333 1.00 . A A . 54 SER CB 1 1 1 527 1 1 35 SER H H 1.218 6.499 -8.208 1.00 . A A . 54 SER H 1 1 1 528 1 1 35 SER HA H 3.838 5.819 -7.500 1.00 . A A . 54 SER HA 1 1 1 529 1 1 35 SER HB2 H 4.056 7.406 -9.127 1.00 . A A . 54 SER HB2 1 1 1 530 1 1 35 SER HB3 H 2.488 8.110 -8.751 1.00 . A A . 54 SER HB3 1 1 1 531 1 1 35 SER HG H 3.435 9.541 -7.527 1.00 . A A . 54 SER HG 1 1 1 532 1 1 35 SER N N 1.787 6.134 -7.519 1.00 . A A . 54 SER N 1 1 1 533 1 1 35 SER O O 4.261 6.801 -5.224 1.00 . A A . 54 SER O 1 1 1 534 1 1 35 SER OG O 4.080 8.844 -7.671 1.00 . A A . 54 SER OG 1 1 1 535 1 1 36 THR C C 2.800 7.198 -3.152 1.00 . A A . 55 THR C 1 1 1 536 1 1 36 THR CA C 2.552 8.419 -4.015 1.00 . A A . 55 THR CA 1 1 1 537 1 1 36 THR CB C 1.289 9.118 -3.532 1.00 . A A . 55 THR CB 1 1 1 538 1 1 36 THR CG2 C 1.428 9.432 -2.037 1.00 . A A . 55 THR CG2 1 1 1 539 1 1 36 THR H H 1.628 8.214 -5.954 1.00 . A A . 55 THR H 1 1 1 540 1 1 36 THR HA H 3.384 9.090 -3.944 1.00 . A A . 55 THR HA 1 1 1 541 1 1 36 THR HB H 0.448 8.470 -3.682 1.00 . A A . 55 THR HB 1 1 1 542 1 1 36 THR HG1 H 1.013 10.095 -5.191 1.00 . A A . 55 THR HG1 1 1 1 543 1 1 36 THR HG21 H 2.118 8.730 -1.574 1.00 . A A . 55 THR HG21 1 1 1 544 1 1 36 THR HG22 H 1.804 10.437 -1.917 1.00 . A A . 55 THR HG22 1 1 1 545 1 1 36 THR HG23 H 0.460 9.352 -1.563 1.00 . A A . 55 THR HG23 1 1 1 546 1 1 36 THR N N 2.402 7.947 -5.415 1.00 . A A . 55 THR N 1 1 1 547 1 1 36 THR O O 3.455 7.263 -2.145 1.00 . A A . 55 THR O 1 1 1 548 1 1 36 THR OG1 O 1.104 10.322 -4.263 1.00 . A A . 55 THR OG1 1 1 1 549 1 1 37 CYS C C 3.898 4.359 -2.965 1.00 . A A . 56 CYS C 1 1 1 550 1 1 37 CYS CA C 2.474 4.826 -2.794 1.00 . A A . 56 CYS CA 1 1 1 551 1 1 37 CYS CB C 1.520 3.728 -3.353 1.00 . A A . 56 CYS CB 1 1 1 552 1 1 37 CYS H H 1.766 6.068 -4.394 1.00 . A A . 56 CYS H 1 1 1 553 1 1 37 CYS HA H 2.291 4.988 -1.742 1.00 . A A . 56 CYS HA 1 1 1 554 1 1 37 CYS HB2 H 0.506 3.990 -3.177 1.00 . A A . 56 CYS HB2 1 1 1 555 1 1 37 CYS HB3 H 1.658 3.612 -4.409 1.00 . A A . 56 CYS HB3 1 1 1 556 1 1 37 CYS N N 2.281 6.082 -3.563 1.00 . A A . 56 CYS N 1 1 1 557 1 1 37 CYS O O 4.722 4.448 -2.076 1.00 . A A . 56 CYS O 1 1 1 558 1 1 37 CYS SG S 1.843 2.156 -2.557 1.00 . A A . 56 CYS SG 1 1 1 559 1 1 38 ALA C C 6.415 4.210 -5.093 1.00 . A A . 57 ALA C 1 1 1 560 1 1 38 ALA CA C 5.474 3.237 -4.353 1.00 . A A . 57 ALA CA 1 1 1 561 1 1 38 ALA CB C 5.186 2.014 -5.176 1.00 . A A . 57 ALA CB 1 1 1 562 1 1 38 ALA H H 3.455 3.707 -4.749 1.00 . A A . 57 ALA H 1 1 1 563 1 1 38 ALA HA H 5.920 2.939 -3.426 1.00 . A A . 57 ALA HA 1 1 1 564 1 1 38 ALA HB1 H 4.682 2.327 -6.089 1.00 . A A . 57 ALA HB1 1 1 1 565 1 1 38 ALA HB2 H 4.526 1.355 -4.594 1.00 . A A . 57 ALA HB2 1 1 1 566 1 1 38 ALA HB3 H 6.102 1.503 -5.414 1.00 . A A . 57 ALA HB3 1 1 1 567 1 1 38 ALA N N 4.158 3.802 -4.083 1.00 . A A . 57 ALA N 1 1 1 568 1 1 38 ALA O O 7.599 4.252 -4.829 1.00 . A A . 57 ALA O 1 1 1 569 1 1 39 ALA C C 7.812 6.581 -5.820 1.00 . A A . 58 ALA C 1 1 1 570 1 1 39 ALA CA C 6.837 5.895 -6.784 1.00 . A A . 58 ALA CA 1 1 1 571 1 1 39 ALA CB C 6.022 6.960 -7.516 1.00 . A A . 58 ALA CB 1 1 1 572 1 1 39 ALA H H 4.974 4.920 -6.267 1.00 . A A . 58 ALA H 1 1 1 573 1 1 39 ALA HA H 7.401 5.325 -7.508 1.00 . A A . 58 ALA HA 1 1 1 574 1 1 39 ALA HB1 H 6.691 7.639 -8.021 1.00 . A A . 58 ALA HB1 1 1 1 575 1 1 39 ALA HB2 H 5.425 7.507 -6.806 1.00 . A A . 58 ALA HB2 1 1 1 576 1 1 39 ALA HB3 H 5.382 6.483 -8.241 1.00 . A A . 58 ALA HB3 1 1 1 577 1 1 39 ALA N N 5.925 4.970 -6.036 1.00 . A A . 58 ALA N 1 1 1 578 1 1 39 ALA O O 8.893 6.984 -6.203 1.00 . A A . 58 ALA O 1 1 1 579 1 1 40 GLN C C 9.733 6.699 -3.655 1.00 . A A . 59 GLN C 1 1 1 580 1 1 40 GLN CA C 8.359 7.373 -3.600 1.00 . A A . 59 GLN CA 1 1 1 581 1 1 40 GLN CB C 7.761 7.241 -2.199 1.00 . A A . 59 GLN CB 1 1 1 582 1 1 40 GLN CD C 6.367 8.532 -0.577 1.00 . A A . 59 GLN CD 1 1 1 583 1 1 40 GLN CG C 6.628 8.256 -2.053 1.00 . A A . 59 GLN CG 1 1 1 584 1 1 40 GLN H H 6.571 6.385 -4.283 1.00 . A A . 59 GLN H 1 1 1 585 1 1 40 GLN HA H 8.461 8.419 -3.850 1.00 . A A . 59 GLN HA 1 1 1 586 1 1 40 GLN HB2 H 7.373 6.241 -2.066 1.00 . A A . 59 GLN HB2 1 1 1 587 1 1 40 GLN HB3 H 8.518 7.436 -1.458 1.00 . A A . 59 GLN HB3 1 1 1 588 1 1 40 GLN HE21 H 7.174 6.825 0.035 1.00 . A A . 59 GLN HE21 1 1 1 589 1 1 40 GLN HE22 H 6.566 7.820 1.266 1.00 . A A . 59 GLN HE22 1 1 1 590 1 1 40 GLN HG2 H 6.906 9.175 -2.543 1.00 . A A . 59 GLN HG2 1 1 1 591 1 1 40 GLN HG3 H 5.731 7.862 -2.507 1.00 . A A . 59 GLN HG3 1 1 1 592 1 1 40 GLN N N 7.446 6.717 -4.577 1.00 . A A . 59 GLN N 1 1 1 593 1 1 40 GLN NE2 N 6.734 7.653 0.316 1.00 . A A . 59 GLN NE2 1 1 1 594 1 1 40 GLN O O 9.861 5.605 -4.167 1.00 . A A . 59 GLN O 1 1 1 595 1 1 40 GLN OE1 O 5.821 9.560 -0.234 1.00 . A A . 59 GLN OE1 1 1 1 596 1 1 41 PRO C C 12.291 5.753 -2.091 1.00 . A A . 60 PRO C 1 1 1 597 1 1 41 PRO CA C 12.114 6.868 -3.130 1.00 . A A . 60 PRO CA 1 1 1 598 1 1 41 PRO CB C 12.949 8.103 -2.780 1.00 . A A . 60 PRO CB 1 1 1 599 1 1 41 PRO CD C 10.566 8.714 -2.511 1.00 . A A . 60 PRO CD 1 1 1 600 1 1 41 PRO CG C 11.994 9.095 -2.076 1.00 . A A . 60 PRO CG 1 1 1 601 1 1 41 PRO HA H 12.386 6.513 -4.110 1.00 . A A . 60 PRO HA 1 1 1 602 1 1 41 PRO HB2 H 13.757 7.826 -2.115 1.00 . A A . 60 PRO HB2 1 1 1 603 1 1 41 PRO HB3 H 13.344 8.552 -3.678 1.00 . A A . 60 PRO HB3 1 1 1 604 1 1 41 PRO HD2 H 9.912 8.666 -1.648 1.00 . A A . 60 PRO HD2 1 1 1 605 1 1 41 PRO HD3 H 10.190 9.422 -3.233 1.00 . A A . 60 PRO HD3 1 1 1 606 1 1 41 PRO HG2 H 12.094 9.007 -1.004 1.00 . A A . 60 PRO HG2 1 1 1 607 1 1 41 PRO HG3 H 12.212 10.104 -2.388 1.00 . A A . 60 PRO HG3 1 1 1 608 1 1 41 PRO N N 10.727 7.379 -3.138 1.00 . A A . 60 PRO N 1 1 1 609 1 1 41 PRO O O 11.389 5.435 -1.347 1.00 . A A . 60 PRO O 1 1 1 610 1 1 42 ALA C C 14.020 4.633 0.303 1.00 . A A . 61 ALA C 1 1 1 611 1 1 42 ALA CA C 13.684 4.045 -1.070 1.00 . A A . 61 ALA CA 1 1 1 612 1 1 42 ALA CB C 14.849 3.177 -1.551 1.00 . A A . 61 ALA CB 1 1 1 613 1 1 42 ALA H H 14.162 5.412 -2.667 1.00 . A A . 61 ALA H 1 1 1 614 1 1 42 ALA HA H 12.793 3.438 -0.993 1.00 . A A . 61 ALA HA 1 1 1 615 1 1 42 ALA HB1 H 15.031 3.368 -2.599 1.00 . A A . 61 ALA HB1 1 1 1 616 1 1 42 ALA HB2 H 14.603 2.134 -1.412 1.00 . A A . 61 ALA HB2 1 1 1 617 1 1 42 ALA HB3 H 15.735 3.417 -0.982 1.00 . A A . 61 ALA HB3 1 1 1 618 1 1 42 ALA N N 13.449 5.148 -2.049 1.00 . A A . 61 ALA N 1 1 1 619 1 1 42 ALA O O 14.487 5.750 0.400 1.00 . A A . 61 ALA O 1 1 1 620 1 1 43 PRO C C 11.683 2.553 0.951 1.00 . A A . 62 PRO C 1 1 1 621 1 1 43 PRO CA C 13.197 2.497 1.200 1.00 . A A . 62 PRO CA 1 1 1 622 1 1 43 PRO CB C 13.499 1.855 2.556 1.00 . A A . 62 PRO CB 1 1 1 623 1 1 43 PRO CD C 14.026 4.270 2.721 1.00 . A A . 62 PRO CD 1 1 1 624 1 1 43 PRO CG C 13.694 3.019 3.557 1.00 . A A . 62 PRO CG 1 1 1 625 1 1 43 PRO HA H 13.693 1.949 0.416 1.00 . A A . 62 PRO HA 1 1 1 626 1 1 43 PRO HB2 H 12.669 1.231 2.863 1.00 . A A . 62 PRO HB2 1 1 1 627 1 1 43 PRO HB3 H 14.403 1.269 2.498 1.00 . A A . 62 PRO HB3 1 1 1 628 1 1 43 PRO HD2 H 13.383 5.093 3.002 1.00 . A A . 62 PRO HD2 1 1 1 629 1 1 43 PRO HD3 H 15.064 4.540 2.841 1.00 . A A . 62 PRO HD3 1 1 1 630 1 1 43 PRO HG2 H 12.784 3.177 4.120 1.00 . A A . 62 PRO HG2 1 1 1 631 1 1 43 PRO HG3 H 14.511 2.800 4.226 1.00 . A A . 62 PRO HG3 1 1 1 632 1 1 43 PRO N N 13.765 3.856 1.329 1.00 . A A . 62 PRO N 1 1 1 633 1 1 43 PRO O O 10.987 1.565 1.076 1.00 . A A . 62 PRO O 1 1 1 634 1 1 44 PHE C C 9.420 3.134 -1.006 1.00 . A A . 63 PHE C 1 1 1 635 1 1 44 PHE CA C 9.708 3.821 0.324 1.00 . A A . 63 PHE CA 1 1 1 636 1 1 44 PHE CB C 9.330 5.303 0.201 1.00 . A A . 63 PHE CB 1 1 1 637 1 1 44 PHE CD1 C 10.485 5.786 2.359 1.00 . A A . 63 PHE CD1 1 1 1 638 1 1 44 PHE CD2 C 10.977 7.199 0.464 1.00 . A A . 63 PHE CD2 1 1 1 639 1 1 44 PHE CE1 C 11.375 6.521 3.142 1.00 . A A . 63 PHE CE1 1 1 1 640 1 1 44 PHE CE2 C 11.875 7.938 1.245 1.00 . A A . 63 PHE CE2 1 1 1 641 1 1 44 PHE CG C 10.283 6.123 1.029 1.00 . A A . 63 PHE CG 1 1 1 642 1 1 44 PHE CZ C 12.072 7.601 2.588 1.00 . A A . 63 PHE CZ 1 1 1 643 1 1 44 PHE H H 11.753 4.475 0.490 1.00 . A A . 63 PHE H 1 1 1 644 1 1 44 PHE HA H 9.146 3.359 1.123 1.00 . A A . 63 PHE HA 1 1 1 645 1 1 44 PHE HB2 H 9.387 5.609 -0.832 1.00 . A A . 63 PHE HB2 1 1 1 646 1 1 44 PHE HB3 H 8.323 5.448 0.564 1.00 . A A . 63 PHE HB3 1 1 1 647 1 1 44 PHE HD1 H 9.950 4.951 2.785 1.00 . A A . 63 PHE HD1 1 1 1 648 1 1 44 PHE HD2 H 10.822 7.456 -0.568 1.00 . A A . 63 PHE HD2 1 1 1 649 1 1 44 PHE HE1 H 11.512 6.264 4.181 1.00 . A A . 63 PHE HE1 1 1 1 650 1 1 44 PHE HE2 H 12.412 8.768 0.813 1.00 . A A . 63 PHE HE2 1 1 1 651 1 1 44 PHE HZ H 12.763 8.169 3.193 1.00 . A A . 63 PHE HZ 1 1 1 652 1 1 44 PHE N N 11.173 3.697 0.591 1.00 . A A . 63 PHE N 1 1 1 653 1 1 44 PHE O O 10.321 2.929 -1.794 1.00 . A A . 63 PHE O 1 1 1 654 1 1 45 GLY C C 6.943 1.041 -2.665 1.00 . A A . 64 GLY C 1 1 1 655 1 1 45 GLY CA C 7.989 2.164 -2.659 1.00 . A A . 64 GLY CA 1 1 1 656 1 1 45 GLY H H 7.432 2.991 -0.682 1.00 . A A . 64 GLY H 1 1 1 657 1 1 45 GLY HA2 H 8.932 1.757 -2.992 1.00 . A A . 64 GLY HA2 1 1 1 658 1 1 45 GLY HA3 H 7.685 2.922 -3.351 1.00 . A A . 64 GLY HA3 1 1 1 659 1 1 45 GLY N N 8.194 2.799 -1.310 1.00 . A A . 64 GLY N 1 1 1 660 1 1 45 GLY O O 6.215 0.843 -1.725 1.00 . A A . 64 GLY O 1 1 1 661 1 1 46 ILE C C 6.293 -1.944 -2.915 1.00 . A A . 65 ILE C 1 1 1 662 1 1 46 ILE CA C 5.882 -0.810 -3.861 1.00 . A A . 65 ILE CA 1 1 1 663 1 1 46 ILE CB C 5.837 -1.344 -5.319 1.00 . A A . 65 ILE CB 1 1 1 664 1 1 46 ILE CD1 C 5.389 0.194 -7.250 1.00 . A A . 65 ILE CD1 1 1 1 665 1 1 46 ILE CG1 C 4.744 -0.635 -6.136 1.00 . A A . 65 ILE CG1 1 1 1 666 1 1 46 ILE CG2 C 5.544 -2.851 -5.338 1.00 . A A . 65 ILE CG2 1 1 1 667 1 1 46 ILE H H 7.471 0.496 -4.507 1.00 . A A . 65 ILE H 1 1 1 668 1 1 46 ILE HA H 4.908 -0.445 -3.583 1.00 . A A . 65 ILE HA 1 1 1 669 1 1 46 ILE HB H 6.797 -1.168 -5.785 1.00 . A A . 65 ILE HB 1 1 1 670 1 1 46 ILE HD11 H 6.380 0.498 -6.946 1.00 . A A . 65 ILE HD11 1 1 1 671 1 1 46 ILE HD12 H 5.458 -0.402 -8.148 1.00 . A A . 65 ILE HD12 1 1 1 672 1 1 46 ILE HD13 H 4.787 1.068 -7.444 1.00 . A A . 65 ILE HD13 1 1 1 673 1 1 46 ILE HG12 H 4.107 -1.383 -6.585 1.00 . A A . 65 ILE HG12 1 1 1 674 1 1 46 ILE HG13 H 4.144 0.003 -5.498 1.00 . A A . 65 ILE HG13 1 1 1 675 1 1 46 ILE HG21 H 4.770 -3.076 -4.621 1.00 . A A . 65 ILE HG21 1 1 1 676 1 1 46 ILE HG22 H 5.218 -3.142 -6.325 1.00 . A A . 65 ILE HG22 1 1 1 677 1 1 46 ILE HG23 H 6.441 -3.395 -5.081 1.00 . A A . 65 ILE HG23 1 1 1 678 1 1 46 ILE N N 6.871 0.307 -3.755 1.00 . A A . 65 ILE N 1 1 1 679 1 1 46 ILE O O 7.394 -2.452 -2.982 1.00 . A A . 65 ILE O 1 1 1 680 1 1 47 VAL C C 4.927 -4.709 -1.568 1.00 . A A . 66 VAL C 1 1 1 681 1 1 47 VAL CA C 5.740 -3.487 -1.141 1.00 . A A . 66 VAL CA 1 1 1 682 1 1 47 VAL CB C 5.390 -3.118 0.303 1.00 . A A . 66 VAL CB 1 1 1 683 1 1 47 VAL CG1 C 6.345 -3.834 1.259 1.00 . A A . 66 VAL CG1 1 1 1 684 1 1 47 VAL CG2 C 5.522 -1.606 0.491 1.00 . A A . 66 VAL CG2 1 1 1 685 1 1 47 VAL H H 4.515 -1.955 -2.033 1.00 . A A . 66 VAL H 1 1 1 686 1 1 47 VAL HA H 6.795 -3.712 -1.213 1.00 . A A . 66 VAL HA 1 1 1 687 1 1 47 VAL HB H 4.377 -3.424 0.516 1.00 . A A . 66 VAL HB 1 1 1 688 1 1 47 VAL HG11 H 7.127 -4.318 0.691 1.00 . A A . 66 VAL HG11 1 1 1 689 1 1 47 VAL HG12 H 6.784 -3.116 1.935 1.00 . A A . 66 VAL HG12 1 1 1 690 1 1 47 VAL HG13 H 5.800 -4.575 1.824 1.00 . A A . 66 VAL HG13 1 1 1 691 1 1 47 VAL HG21 H 6.346 -1.241 -0.102 1.00 . A A . 66 VAL HG21 1 1 1 692 1 1 47 VAL HG22 H 4.609 -1.123 0.176 1.00 . A A . 66 VAL HG22 1 1 1 693 1 1 47 VAL HG23 H 5.704 -1.388 1.534 1.00 . A A . 66 VAL HG23 1 1 1 694 1 1 47 VAL N N 5.407 -2.363 -2.057 1.00 . A A . 66 VAL N 1 1 1 695 1 1 47 VAL O O 4.067 -4.618 -2.425 1.00 . A A . 66 VAL O 1 1 1 696 1 1 48 GLY C C 5.393 -8.151 -1.843 1.00 . A A . 67 GLY C 1 1 1 697 1 1 48 GLY CA C 4.423 -7.066 -1.373 1.00 . A A . 67 GLY CA 1 1 1 698 1 1 48 GLY H H 5.885 -5.900 -0.301 1.00 . A A . 67 GLY H 1 1 1 699 1 1 48 GLY HA2 H 3.742 -6.825 -2.176 1.00 . A A . 67 GLY HA2 1 1 1 700 1 1 48 GLY HA3 H 3.865 -7.424 -0.519 1.00 . A A . 67 GLY HA3 1 1 1 701 1 1 48 GLY N N 5.188 -5.846 -0.988 1.00 . A A . 67 GLY N 1 1 1 702 1 1 48 GLY O O 6.567 -7.904 -2.040 1.00 . A A . 67 GLY O 1 1 1 703 1 1 49 SER C C 5.409 -10.883 -3.891 1.00 . A A . 68 SER C 1 1 1 704 1 1 49 SER CA C 5.811 -10.449 -2.480 1.00 . A A . 68 SER CA 1 1 1 705 1 1 49 SER CB C 5.686 -11.639 -1.527 1.00 . A A . 68 SER CB 1 1 1 706 1 1 49 SER H H 3.965 -9.529 -1.859 1.00 . A A . 68 SER H 1 1 1 707 1 1 49 SER HA H 6.832 -10.100 -2.488 1.00 . A A . 68 SER HA 1 1 1 708 1 1 49 SER HB2 H 5.574 -11.283 -0.517 1.00 . A A . 68 SER HB2 1 1 1 709 1 1 49 SER HB3 H 4.819 -12.227 -1.798 1.00 . A A . 68 SER HB3 1 1 1 710 1 1 49 SER HG H 7.536 -12.029 -1.068 1.00 . A A . 68 SER HG 1 1 1 711 1 1 49 SER N N 4.915 -9.351 -2.023 1.00 . A A . 68 SER N 1 1 1 712 1 1 49 SER O O 6.238 -11.024 -4.768 1.00 . A A . 68 SER O 1 1 1 713 1 1 49 SER OG O 6.860 -12.436 -1.615 1.00 . A A . 68 SER OG 1 1 1 714 1 1 50 GLY C C 3.103 -12.930 -5.399 1.00 . A A . 69 GLY C 1 1 1 715 1 1 50 GLY CA C 3.687 -11.518 -5.474 1.00 . A A . 69 GLY CA 1 1 1 716 1 1 50 GLY H H 3.488 -10.975 -3.398 1.00 . A A . 69 GLY H 1 1 1 717 1 1 50 GLY HA2 H 4.527 -11.515 -6.151 1.00 . A A . 69 GLY HA2 1 1 1 718 1 1 50 GLY HA3 H 2.932 -10.833 -5.830 1.00 . A A . 69 GLY HA3 1 1 1 719 1 1 50 GLY N N 4.141 -11.095 -4.118 1.00 . A A . 69 GLY N 1 1 1 720 1 1 50 GLY O O 3.464 -13.652 -4.484 1.00 . A A . 69 GLY O 1 1 1 721 1 1 50 GLY OXT O 2.305 -13.265 -6.258 1.00 . A A . 69 GLY OXT 1 1 2 722 1 1 1 MET C C -1.488 -9.491 -9.301 1.00 . A A . 20 MET C 1 1 2 723 1 1 1 MET CA C -1.284 -10.818 -8.568 1.00 . A A . 20 MET CA 1 1 2 724 1 1 1 MET CB C -2.623 -11.548 -8.451 1.00 . A A . 20 MET CB 1 1 2 725 1 1 1 MET CE C -4.142 -14.674 -6.663 1.00 . A A . 20 MET CE 1 1 2 726 1 1 1 MET CG C -2.410 -12.902 -7.773 1.00 . A A . 20 MET CG 1 1 2 727 1 1 1 MET H1 H -0.398 -9.575 -7.151 1.00 . A A . 20 MET H1 1 1 2 728 1 1 1 MET H2 H -1.491 -10.696 -6.500 1.00 . A A . 20 MET H2 1 1 2 729 1 1 1 MET H3 H 0.045 -11.209 -7.012 1.00 . A A . 20 MET H3 1 1 2 730 1 1 1 MET HA H -0.587 -11.431 -9.120 1.00 . A A . 20 MET HA 1 1 2 731 1 1 1 MET HB2 H -3.306 -10.952 -7.863 1.00 . A A . 20 MET HB2 1 1 2 732 1 1 1 MET HB3 H -3.037 -11.703 -9.436 1.00 . A A . 20 MET HB3 1 1 2 733 1 1 1 MET HE1 H -3.249 -14.799 -6.072 1.00 . A A . 20 MET HE1 1 1 2 734 1 1 1 MET HE2 H -4.799 -13.968 -6.175 1.00 . A A . 20 MET HE2 1 1 2 735 1 1 1 MET HE3 H -4.641 -15.629 -6.762 1.00 . A A . 20 MET HE3 1 1 2 736 1 1 1 MET HG2 H -1.443 -13.294 -8.048 1.00 . A A . 20 MET HG2 1 1 2 737 1 1 1 MET HG3 H -2.457 -12.779 -6.700 1.00 . A A . 20 MET HG3 1 1 2 738 1 1 1 MET N N -0.741 -10.555 -7.205 1.00 . A A . 20 MET N 1 1 2 739 1 1 1 MET O O -1.167 -9.357 -10.464 1.00 . A A . 20 MET O 1 1 2 740 1 1 1 MET SD S -3.702 -14.054 -8.304 1.00 . A A . 20 MET SD 1 1 2 741 1 1 2 GLY C C -2.439 -6.112 -8.218 1.00 . A A . 21 GLY C 1 1 2 742 1 1 2 GLY CA C -2.245 -7.190 -9.287 1.00 . A A . 21 GLY CA 1 1 2 743 1 1 2 GLY H H -2.273 -8.636 -7.690 1.00 . A A . 21 GLY H 1 1 2 744 1 1 2 GLY HA2 H -3.128 -7.241 -9.904 1.00 . A A . 21 GLY HA2 1 1 2 745 1 1 2 GLY HA3 H -1.390 -6.943 -9.899 1.00 . A A . 21 GLY HA3 1 1 2 746 1 1 2 GLY N N -2.021 -8.507 -8.628 1.00 . A A . 21 GLY N 1 1 2 747 1 1 2 GLY O O -3.083 -5.107 -8.446 1.00 . A A . 21 GLY O 1 1 2 748 1 1 3 ASN C C -0.660 -4.948 -5.405 1.00 . A A . 22 ASN C 1 1 2 749 1 1 3 ASN CA C -2.037 -5.300 -5.972 1.00 . A A . 22 ASN CA 1 1 2 750 1 1 3 ASN CB C -2.917 -5.872 -4.858 1.00 . A A . 22 ASN CB 1 1 2 751 1 1 3 ASN CG C -4.373 -5.905 -5.325 1.00 . A A . 22 ASN CG 1 1 2 752 1 1 3 ASN H H -1.369 -7.131 -6.890 1.00 . A A . 22 ASN H 1 1 2 753 1 1 3 ASN HA H -2.499 -4.410 -6.374 1.00 . A A . 22 ASN HA 1 1 2 754 1 1 3 ASN HB2 H -2.590 -6.874 -4.622 1.00 . A A . 22 ASN HB2 1 1 2 755 1 1 3 ASN HB3 H -2.836 -5.250 -3.980 1.00 . A A . 22 ASN HB3 1 1 2 756 1 1 3 ASN HD21 H -5.073 -6.483 -3.558 1.00 . A A . 22 ASN HD21 1 1 2 757 1 1 3 ASN HD22 H -6.244 -6.272 -4.770 1.00 . A A . 22 ASN HD22 1 1 2 758 1 1 3 ASN N N -1.885 -6.313 -7.054 1.00 . A A . 22 ASN N 1 1 2 759 1 1 3 ASN ND2 N -5.307 -6.248 -4.481 1.00 . A A . 22 ASN ND2 1 1 2 760 1 1 3 ASN O O 0.026 -5.786 -4.853 1.00 . A A . 22 ASN O 1 1 2 761 1 1 3 ASN OD1 O -4.664 -5.615 -6.468 1.00 . A A . 22 ASN OD1 1 1 2 762 1 1 4 GLN C C 0.896 -2.522 -3.712 1.00 . A A . 23 GLN C 1 1 2 763 1 1 4 GLN CA C 1.080 -3.313 -5.002 1.00 . A A . 23 GLN CA 1 1 2 764 1 1 4 GLN CB C 1.797 -2.432 -6.024 1.00 . A A . 23 GLN CB 1 1 2 765 1 1 4 GLN CD C 3.401 -2.794 -7.906 1.00 . A A . 23 GLN CD 1 1 2 766 1 1 4 GLN CG C 2.070 -3.238 -7.295 1.00 . A A . 23 GLN CG 1 1 2 767 1 1 4 GLN H H -0.820 -3.056 -5.984 1.00 . A A . 23 GLN H 1 1 2 768 1 1 4 GLN HA H 1.675 -4.195 -4.804 1.00 . A A . 23 GLN HA 1 1 2 769 1 1 4 GLN HB2 H 1.176 -1.584 -6.257 1.00 . A A . 23 GLN HB2 1 1 2 770 1 1 4 GLN HB3 H 2.730 -2.087 -5.610 1.00 . A A . 23 GLN HB3 1 1 2 771 1 1 4 GLN HE21 H 2.756 -0.967 -8.339 1.00 . A A . 23 GLN HE21 1 1 2 772 1 1 4 GLN HE22 H 4.366 -1.290 -8.770 1.00 . A A . 23 GLN HE22 1 1 2 773 1 1 4 GLN HG2 H 2.118 -4.290 -7.051 1.00 . A A . 23 GLN HG2 1 1 2 774 1 1 4 GLN HG3 H 1.276 -3.069 -8.006 1.00 . A A . 23 GLN HG3 1 1 2 775 1 1 4 GLN N N -0.251 -3.716 -5.535 1.00 . A A . 23 GLN N 1 1 2 776 1 1 4 GLN NE2 N 3.517 -1.583 -8.377 1.00 . A A . 23 GLN NE2 1 1 2 777 1 1 4 GLN O O -0.176 -2.009 -3.422 1.00 . A A . 23 GLN O 1 1 2 778 1 1 4 GLN OE1 O 4.345 -3.558 -7.953 1.00 . A A . 23 GLN OE1 1 1 2 779 1 1 5 GLN C C 2.755 -0.506 -1.565 1.00 . A A . 24 GLN C 1 1 2 780 1 1 5 GLN CA C 1.778 -1.669 -1.657 1.00 . A A . 24 GLN CA 1 1 2 781 1 1 5 GLN CB C 1.966 -2.610 -0.465 1.00 . A A . 24 GLN CB 1 1 2 782 1 1 5 GLN CD C 1.207 -2.166 1.872 1.00 . A A . 24 GLN CD 1 1 2 783 1 1 5 GLN CG C 0.749 -2.519 0.456 1.00 . A A . 24 GLN CG 1 1 2 784 1 1 5 GLN H H 2.776 -2.845 -3.156 1.00 . A A . 24 GLN H 1 1 2 785 1 1 5 GLN HA H 0.791 -1.255 -1.634 1.00 . A A . 24 GLN HA 1 1 2 786 1 1 5 GLN HB2 H 2.071 -3.624 -0.823 1.00 . A A . 24 GLN HB2 1 1 2 787 1 1 5 GLN HB3 H 2.852 -2.328 0.082 1.00 . A A . 24 GLN HB3 1 1 2 788 1 1 5 GLN HE21 H -0.489 -2.756 2.720 1.00 . A A . 24 GLN HE21 1 1 2 789 1 1 5 GLN HE22 H 0.684 -2.153 3.788 1.00 . A A . 24 GLN HE22 1 1 2 790 1 1 5 GLN HG2 H 0.080 -1.754 0.091 1.00 . A A . 24 GLN HG2 1 1 2 791 1 1 5 GLN HG3 H 0.238 -3.469 0.472 1.00 . A A . 24 GLN HG3 1 1 2 792 1 1 5 GLN N N 1.927 -2.421 -2.922 1.00 . A A . 24 GLN N 1 1 2 793 1 1 5 GLN NE2 N 0.401 -2.376 2.877 1.00 . A A . 24 GLN NE2 1 1 2 794 1 1 5 GLN O O 3.454 -0.176 -2.497 1.00 . A A . 24 GLN O 1 1 2 795 1 1 5 GLN OE1 O 2.310 -1.696 2.068 1.00 . A A . 24 GLN OE1 1 1 2 796 1 1 6 CYS C C 4.486 1.215 0.962 1.00 . A A . 25 CYS C 1 1 2 797 1 1 6 CYS CA C 3.535 1.371 -0.222 1.00 . A A . 25 CYS CA 1 1 2 798 1 1 6 CYS CB C 2.565 2.491 0.155 1.00 . A A . 25 CYS CB 1 1 2 799 1 1 6 CYS H H 2.088 -0.102 0.232 1.00 . A A . 25 CYS H 1 1 2 800 1 1 6 CYS HA H 4.074 1.641 -1.114 1.00 . A A . 25 CYS HA 1 1 2 801 1 1 6 CYS HB2 H 2.319 2.394 1.204 1.00 . A A . 25 CYS HB2 1 1 2 802 1 1 6 CYS HB3 H 3.017 3.455 -0.037 1.00 . A A . 25 CYS HB3 1 1 2 803 1 1 6 CYS N N 2.718 0.159 -0.447 1.00 . A A . 25 CYS N 1 1 2 804 1 1 6 CYS O O 4.059 1.208 2.099 1.00 . A A . 25 CYS O 1 1 2 805 1 1 6 CYS SG S 1.054 2.329 -0.811 1.00 . A A . 25 CYS SG 1 1 2 806 1 1 7 ASN C C 6.730 2.632 2.334 1.00 . A A . 26 ASN C 1 1 2 807 1 1 7 ASN CA C 6.702 1.176 1.884 1.00 . A A . 26 ASN CA 1 1 2 808 1 1 7 ASN CB C 8.095 0.717 1.444 1.00 . A A . 26 ASN CB 1 1 2 809 1 1 7 ASN CG C 9.123 1.111 2.508 1.00 . A A . 26 ASN CG 1 1 2 810 1 1 7 ASN H H 6.109 1.281 -0.184 1.00 . A A . 26 ASN H 1 1 2 811 1 1 7 ASN HA H 6.314 0.543 2.673 1.00 . A A . 26 ASN HA 1 1 2 812 1 1 7 ASN HB2 H 8.096 -0.362 1.326 1.00 . A A . 26 ASN HB2 1 1 2 813 1 1 7 ASN HB3 H 8.351 1.191 0.503 1.00 . A A . 26 ASN HB3 1 1 2 814 1 1 7 ASN HD21 H 9.476 -0.763 3.063 1.00 . A A . 26 ASN HD21 1 1 2 815 1 1 7 ASN HD22 H 10.360 0.421 3.899 1.00 . A A . 26 ASN HD22 1 1 2 816 1 1 7 ASN N N 5.768 1.196 0.730 1.00 . A A . 26 ASN N 1 1 2 817 1 1 7 ASN ND2 N 9.701 0.180 3.215 1.00 . A A . 26 ASN ND2 1 1 2 818 1 1 7 ASN O O 7.539 3.421 1.885 1.00 . A A . 26 ASN O 1 1 2 819 1 1 7 ASN OD1 O 9.402 2.278 2.697 1.00 . A A . 26 ASN OD1 1 1 2 820 1 1 8 TRP C C 6.703 4.846 4.551 1.00 . A A . 27 TRP C 1 1 2 821 1 1 8 TRP CA C 5.658 4.443 3.526 1.00 . A A . 27 TRP CA 1 1 2 822 1 1 8 TRP CB C 4.274 4.682 4.130 1.00 . A A . 27 TRP CB 1 1 2 823 1 1 8 TRP CD1 C 3.366 6.944 4.679 1.00 . A A . 27 TRP CD1 1 1 2 824 1 1 8 TRP CD2 C 3.922 6.720 2.523 1.00 . A A . 27 TRP CD2 1 1 2 825 1 1 8 TRP CE2 C 3.452 8.040 2.676 1.00 . A A . 27 TRP CE2 1 1 2 826 1 1 8 TRP CE3 C 4.340 6.303 1.251 1.00 . A A . 27 TRP CE3 1 1 2 827 1 1 8 TRP CG C 3.866 6.060 3.805 1.00 . A A . 27 TRP CG 1 1 2 828 1 1 8 TRP CH2 C 3.820 8.493 0.342 1.00 . A A . 27 TRP CH2 1 1 2 829 1 1 8 TRP CZ2 C 3.398 8.923 1.601 1.00 . A A . 27 TRP CZ2 1 1 2 830 1 1 8 TRP CZ3 C 4.289 7.180 0.174 1.00 . A A . 27 TRP CZ3 1 1 2 831 1 1 8 TRP H H 5.097 2.382 3.428 1.00 . A A . 27 TRP H 1 1 2 832 1 1 8 TRP HA H 5.771 5.053 2.640 1.00 . A A . 27 TRP HA 1 1 2 833 1 1 8 TRP HB2 H 3.559 3.991 3.715 1.00 . A A . 27 TRP HB2 1 1 2 834 1 1 8 TRP HB3 H 4.323 4.566 5.207 1.00 . A A . 27 TRP HB3 1 1 2 835 1 1 8 TRP HD1 H 3.192 6.751 5.721 1.00 . A A . 27 TRP HD1 1 1 2 836 1 1 8 TRP HE1 H 2.762 8.948 4.424 1.00 . A A . 27 TRP HE1 1 1 2 837 1 1 8 TRP HE3 H 4.702 5.292 1.098 1.00 . A A . 27 TRP HE3 1 1 2 838 1 1 8 TRP HH2 H 3.788 9.168 -0.496 1.00 . A A . 27 TRP HH2 1 1 2 839 1 1 8 TRP HZ2 H 3.037 9.931 1.742 1.00 . A A . 27 TRP HZ2 1 1 2 840 1 1 8 TRP HZ3 H 4.613 6.840 -0.789 1.00 . A A . 27 TRP HZ3 1 1 2 841 1 1 8 TRP N N 5.777 3.018 3.137 1.00 . A A . 27 TRP N 1 1 2 842 1 1 8 TRP NE1 N 3.122 8.133 4.016 1.00 . A A . 27 TRP NE1 1 1 2 843 1 1 8 TRP O O 6.469 4.771 5.731 1.00 . A A . 27 TRP O 1 1 2 844 1 1 9 TYR C C 8.917 4.843 6.315 1.00 . A A . 28 TYR C 1 1 2 845 1 1 9 TYR CA C 8.874 5.764 5.083 1.00 . A A . 28 TYR CA 1 1 2 846 1 1 9 TYR CB C 8.583 7.199 5.531 1.00 . A A . 28 TYR CB 1 1 2 847 1 1 9 TYR CD1 C 8.514 8.209 3.221 1.00 . A A . 28 TYR CD1 1 1 2 848 1 1 9 TYR CD2 C 6.553 8.411 4.627 1.00 . A A . 28 TYR CD2 1 1 2 849 1 1 9 TYR CE1 C 7.858 8.911 2.201 1.00 . A A . 28 TYR CE1 1 1 2 850 1 1 9 TYR CE2 C 5.897 9.114 3.607 1.00 . A A . 28 TYR CE2 1 1 2 851 1 1 9 TYR CG C 7.864 7.956 4.432 1.00 . A A . 28 TYR CG 1 1 2 852 1 1 9 TYR CZ C 6.549 9.362 2.395 1.00 . A A . 28 TYR CZ 1 1 2 853 1 1 9 TYR H H 7.988 5.420 3.145 1.00 . A A . 28 TYR H 1 1 2 854 1 1 9 TYR HA H 9.826 5.731 4.604 1.00 . A A . 28 TYR HA 1 1 2 855 1 1 9 TYR HB2 H 7.964 7.176 6.417 1.00 . A A . 28 TYR HB2 1 1 2 856 1 1 9 TYR HB3 H 9.519 7.700 5.749 1.00 . A A . 28 TYR HB3 1 1 2 857 1 1 9 TYR HD1 H 9.522 7.867 3.077 1.00 . A A . 28 TYR HD1 1 1 2 858 1 1 9 TYR HD2 H 6.047 8.218 5.561 1.00 . A A . 28 TYR HD2 1 1 2 859 1 1 9 TYR HE1 H 8.361 9.099 1.262 1.00 . A A . 28 TYR HE1 1 1 2 860 1 1 9 TYR HE2 H 4.889 9.468 3.756 1.00 . A A . 28 TYR HE2 1 1 2 861 1 1 9 TYR HH H 5.239 10.616 1.799 1.00 . A A . 28 TYR HH 1 1 2 862 1 1 9 TYR N N 7.831 5.321 4.115 1.00 . A A . 28 TYR N 1 1 2 863 1 1 9 TYR O O 9.320 5.255 7.385 1.00 . A A . 28 TYR O 1 1 2 864 1 1 9 TYR OH O 5.903 10.054 1.392 1.00 . A A . 28 TYR OH 1 1 2 865 1 1 10 GLY C C 7.232 1.968 7.569 1.00 . A A . 29 GLY C 1 1 2 866 1 1 10 GLY CA C 8.579 2.676 7.354 1.00 . A A . 29 GLY CA 1 1 2 867 1 1 10 GLY H H 8.221 3.278 5.309 1.00 . A A . 29 GLY H 1 1 2 868 1 1 10 GLY HA2 H 8.823 3.244 8.240 1.00 . A A . 29 GLY HA2 1 1 2 869 1 1 10 GLY HA3 H 9.346 1.935 7.186 1.00 . A A . 29 GLY HA3 1 1 2 870 1 1 10 GLY N N 8.527 3.601 6.179 1.00 . A A . 29 GLY N 1 1 2 871 1 1 10 GLY O O 7.185 0.783 7.832 1.00 . A A . 29 GLY O 1 1 2 872 1 1 11 THR C C 4.260 1.560 6.349 1.00 . A A . 30 THR C 1 1 2 873 1 1 11 THR CA C 4.809 2.041 7.687 1.00 . A A . 30 THR CA 1 1 2 874 1 1 11 THR CB C 3.846 3.062 8.298 1.00 . A A . 30 THR CB 1 1 2 875 1 1 11 THR CG2 C 2.691 2.331 8.984 1.00 . A A . 30 THR CG2 1 1 2 876 1 1 11 THR H H 6.195 3.626 7.266 1.00 . A A . 30 THR H 1 1 2 877 1 1 11 THR HA H 4.915 1.200 8.357 1.00 . A A . 30 THR HA 1 1 2 878 1 1 11 THR HB H 3.452 3.697 7.519 1.00 . A A . 30 THR HB 1 1 2 879 1 1 11 THR HG1 H 4.149 4.731 9.251 1.00 . A A . 30 THR HG1 1 1 2 880 1 1 11 THR HG21 H 3.015 1.344 9.278 1.00 . A A . 30 THR HG21 1 1 2 881 1 1 11 THR HG22 H 2.384 2.884 9.859 1.00 . A A . 30 THR HG22 1 1 2 882 1 1 11 THR HG23 H 1.860 2.248 8.300 1.00 . A A . 30 THR HG23 1 1 2 883 1 1 11 THR N N 6.141 2.677 7.473 1.00 . A A . 30 THR N 1 1 2 884 1 1 11 THR O O 4.405 2.217 5.341 1.00 . A A . 30 THR O 1 1 2 885 1 1 11 THR OG1 O 4.541 3.855 9.251 1.00 . A A . 30 THR OG1 1 1 2 886 1 1 12 LEU C C 1.654 0.323 4.853 1.00 . A A . 31 LEU C 1 1 2 887 1 1 12 LEU CA C 3.103 -0.111 5.045 1.00 . A A . 31 LEU CA 1 1 2 888 1 1 12 LEU CB C 3.178 -1.637 5.073 1.00 . A A . 31 LEU CB 1 1 2 889 1 1 12 LEU CD1 C 4.770 -3.561 5.067 1.00 . A A . 31 LEU CD1 1 1 2 890 1 1 12 LEU CD2 C 5.599 -1.259 4.571 1.00 . A A . 31 LEU CD2 1 1 2 891 1 1 12 LEU CG C 4.606 -2.078 5.400 1.00 . A A . 31 LEU CG 1 1 2 892 1 1 12 LEU H H 3.541 -0.109 7.147 1.00 . A A . 31 LEU H 1 1 2 893 1 1 12 LEU HA H 3.696 0.263 4.222 1.00 . A A . 31 LEU HA 1 1 2 894 1 1 12 LEU HB2 H 2.506 -2.009 5.833 1.00 . A A . 31 LEU HB2 1 1 2 895 1 1 12 LEU HB3 H 2.890 -2.031 4.110 1.00 . A A . 31 LEU HB3 1 1 2 896 1 1 12 LEU HD11 H 4.090 -3.827 4.272 1.00 . A A . 31 LEU HD11 1 1 2 897 1 1 12 LEU HD12 H 5.784 -3.749 4.751 1.00 . A A . 31 LEU HD12 1 1 2 898 1 1 12 LEU HD13 H 4.549 -4.153 5.943 1.00 . A A . 31 LEU HD13 1 1 2 899 1 1 12 LEU HD21 H 5.103 -0.880 3.690 1.00 . A A . 31 LEU HD21 1 1 2 900 1 1 12 LEU HD22 H 5.965 -0.432 5.161 1.00 . A A . 31 LEU HD22 1 1 2 901 1 1 12 LEU HD23 H 6.427 -1.887 4.278 1.00 . A A . 31 LEU HD23 1 1 2 902 1 1 12 LEU HG H 4.798 -1.923 6.452 1.00 . A A . 31 LEU HG 1 1 2 903 1 1 12 LEU N N 3.642 0.414 6.325 1.00 . A A . 31 LEU N 1 1 2 904 1 1 12 LEU O O 0.923 0.550 5.797 1.00 . A A . 31 LEU O 1 1 2 905 1 1 13 TYR C C -0.592 0.233 1.995 1.00 . A A . 32 TYR C 1 1 2 906 1 1 13 TYR CA C -0.161 0.848 3.328 1.00 . A A . 32 TYR CA 1 1 2 907 1 1 13 TYR CB C -0.227 2.374 3.208 1.00 . A A . 32 TYR CB 1 1 2 908 1 1 13 TYR CD1 C -1.528 3.085 5.245 1.00 . A A . 32 TYR CD1 1 1 2 909 1 1 13 TYR CD2 C 0.860 3.501 5.181 1.00 . A A . 32 TYR CD2 1 1 2 910 1 1 13 TYR CE1 C -1.596 3.672 6.514 1.00 . A A . 32 TYR CE1 1 1 2 911 1 1 13 TYR CE2 C 0.792 4.086 6.451 1.00 . A A . 32 TYR CE2 1 1 2 912 1 1 13 TYR CG C -0.300 2.999 4.579 1.00 . A A . 32 TYR CG 1 1 2 913 1 1 13 TYR CZ C -0.437 4.172 7.118 1.00 . A A . 32 TYR CZ 1 1 2 914 1 1 13 TYR H H 1.859 0.241 2.885 1.00 . A A . 32 TYR H 1 1 2 915 1 1 13 TYR HA H -0.818 0.514 4.117 1.00 . A A . 32 TYR HA 1 1 2 916 1 1 13 TYR HB2 H 0.661 2.731 2.698 1.00 . A A . 32 TYR HB2 1 1 2 917 1 1 13 TYR HB3 H -1.111 2.650 2.641 1.00 . A A . 32 TYR HB3 1 1 2 918 1 1 13 TYR HD1 H -2.423 2.698 4.780 1.00 . A A . 32 TYR HD1 1 1 2 919 1 1 13 TYR HD2 H 1.807 3.437 4.665 1.00 . A A . 32 TYR HD2 1 1 2 920 1 1 13 TYR HE1 H -2.544 3.740 7.026 1.00 . A A . 32 TYR HE1 1 1 2 921 1 1 13 TYR HE2 H 1.687 4.473 6.916 1.00 . A A . 32 TYR HE2 1 1 2 922 1 1 13 TYR HH H -1.385 5.115 8.479 1.00 . A A . 32 TYR HH 1 1 2 923 1 1 13 TYR N N 1.240 0.433 3.623 1.00 . A A . 32 TYR N 1 1 2 924 1 1 13 TYR O O 0.216 0.078 1.103 1.00 . A A . 32 TYR O 1 1 2 925 1 1 13 TYR OH O -0.503 4.751 8.368 1.00 . A A . 32 TYR OH 1 1 2 926 1 1 14 PRO C C -2.537 0.471 -0.383 1.00 . A A . 33 PRO C 1 1 2 927 1 1 14 PRO CA C -2.416 -0.646 0.649 1.00 . A A . 33 PRO CA 1 1 2 928 1 1 14 PRO CB C -3.788 -1.170 1.080 1.00 . A A . 33 PRO CB 1 1 2 929 1 1 14 PRO CD C -2.842 0.128 2.964 1.00 . A A . 33 PRO CD 1 1 2 930 1 1 14 PRO CG C -4.164 -0.393 2.364 1.00 . A A . 33 PRO CG 1 1 2 931 1 1 14 PRO HA H -1.802 -1.450 0.281 1.00 . A A . 33 PRO HA 1 1 2 932 1 1 14 PRO HB2 H -4.514 -0.985 0.301 1.00 . A A . 33 PRO HB2 1 1 2 933 1 1 14 PRO HB3 H -3.731 -2.225 1.295 1.00 . A A . 33 PRO HB3 1 1 2 934 1 1 14 PRO HD2 H -2.927 1.176 3.213 1.00 . A A . 33 PRO HD2 1 1 2 935 1 1 14 PRO HD3 H -2.566 -0.450 3.833 1.00 . A A . 33 PRO HD3 1 1 2 936 1 1 14 PRO HG2 H -4.814 0.435 2.118 1.00 . A A . 33 PRO HG2 1 1 2 937 1 1 14 PRO HG3 H -4.649 -1.051 3.068 1.00 . A A . 33 PRO HG3 1 1 2 938 1 1 14 PRO N N -1.856 -0.075 1.884 1.00 . A A . 33 PRO N 1 1 2 939 1 1 14 PRO O O -2.887 1.583 -0.051 1.00 . A A . 33 PRO O 1 1 2 940 1 1 15 LEU C C -3.727 1.543 -3.099 1.00 . A A . 34 LEU C 1 1 2 941 1 1 15 LEU CA C -2.302 1.306 -2.614 1.00 . A A . 34 LEU CA 1 1 2 942 1 1 15 LEU CB C -1.365 0.976 -3.777 1.00 . A A . 34 LEU CB 1 1 2 943 1 1 15 LEU CD1 C -1.986 2.993 -5.159 1.00 . A A . 34 LEU CD1 1 1 2 944 1 1 15 LEU CD2 C -1.066 0.913 -6.244 1.00 . A A . 34 LEU CD2 1 1 2 945 1 1 15 LEU CG C -1.939 1.455 -5.106 1.00 . A A . 34 LEU CG 1 1 2 946 1 1 15 LEU H H -1.917 -0.674 -1.900 1.00 . A A . 34 LEU H 1 1 2 947 1 1 15 LEU HA H -1.950 2.214 -2.148 1.00 . A A . 34 LEU HA 1 1 2 948 1 1 15 LEU HB2 H -0.430 1.472 -3.609 1.00 . A A . 34 LEU HB2 1 1 2 949 1 1 15 LEU HB3 H -1.207 -0.088 -3.818 1.00 . A A . 34 LEU HB3 1 1 2 950 1 1 15 LEU HD11 H -1.127 3.400 -4.641 1.00 . A A . 34 LEU HD11 1 1 2 951 1 1 15 LEU HD12 H -1.982 3.316 -6.184 1.00 . A A . 34 LEU HD12 1 1 2 952 1 1 15 LEU HD13 H -2.884 3.350 -4.695 1.00 . A A . 34 LEU HD13 1 1 2 953 1 1 15 LEU HD21 H -0.609 -0.016 -5.935 1.00 . A A . 34 LEU HD21 1 1 2 954 1 1 15 LEU HD22 H -1.678 0.739 -7.116 1.00 . A A . 34 LEU HD22 1 1 2 955 1 1 15 LEU HD23 H -0.295 1.628 -6.480 1.00 . A A . 34 LEU HD23 1 1 2 956 1 1 15 LEU HG H -2.931 1.061 -5.202 1.00 . A A . 34 LEU HG 1 1 2 957 1 1 15 LEU N N -2.224 0.217 -1.622 1.00 . A A . 34 LEU N 1 1 2 958 1 1 15 LEU O O -4.455 0.644 -3.473 1.00 . A A . 34 LEU O 1 1 2 959 1 1 16 CYS C C -5.207 3.594 -5.119 1.00 . A A . 35 CYS C 1 1 2 960 1 1 16 CYS CA C -5.392 3.223 -3.649 1.00 . A A . 35 CYS CA 1 1 2 961 1 1 16 CYS CB C -5.829 4.467 -2.896 1.00 . A A . 35 CYS CB 1 1 2 962 1 1 16 CYS H H -3.419 3.457 -2.870 1.00 . A A . 35 CYS H 1 1 2 963 1 1 16 CYS HA H -6.123 2.435 -3.542 1.00 . A A . 35 CYS HA 1 1 2 964 1 1 16 CYS HB2 H -5.103 4.697 -2.130 1.00 . A A . 35 CYS HB2 1 1 2 965 1 1 16 CYS HB3 H -5.885 5.287 -3.595 1.00 . A A . 35 CYS HB3 1 1 2 966 1 1 16 CYS N N -4.072 2.787 -3.139 1.00 . A A . 35 CYS N 1 1 2 967 1 1 16 CYS O O -4.809 4.695 -5.441 1.00 . A A . 35 CYS O 1 1 2 968 1 1 16 CYS SG S -7.451 4.190 -2.142 1.00 . A A . 35 CYS SG 1 1 2 969 1 1 17 VAL C C -6.379 3.911 -7.955 1.00 . A A . 36 VAL C 1 1 2 970 1 1 17 VAL CA C -5.256 2.998 -7.448 1.00 . A A . 36 VAL CA 1 1 2 971 1 1 17 VAL CB C -5.184 1.696 -8.247 1.00 . A A . 36 VAL CB 1 1 2 972 1 1 17 VAL CG1 C -5.469 1.971 -9.727 1.00 . A A . 36 VAL CG1 1 1 2 973 1 1 17 VAL CG2 C -3.771 1.117 -8.099 1.00 . A A . 36 VAL CG2 1 1 2 974 1 1 17 VAL H H -5.757 1.805 -5.724 1.00 . A A . 36 VAL H 1 1 2 975 1 1 17 VAL HA H -4.319 3.521 -7.555 1.00 . A A . 36 VAL HA 1 1 2 976 1 1 17 VAL HB H -5.907 0.993 -7.863 1.00 . A A . 36 VAL HB 1 1 2 977 1 1 17 VAL HG11 H -5.121 2.960 -9.983 1.00 . A A . 36 VAL HG11 1 1 2 978 1 1 17 VAL HG12 H -4.955 1.240 -10.334 1.00 . A A . 36 VAL HG12 1 1 2 979 1 1 17 VAL HG13 H -6.531 1.904 -9.907 1.00 . A A . 36 VAL HG13 1 1 2 980 1 1 17 VAL HG21 H -3.146 1.816 -7.549 1.00 . A A . 36 VAL HG21 1 1 2 981 1 1 17 VAL HG22 H -3.820 0.182 -7.561 1.00 . A A . 36 VAL HG22 1 1 2 982 1 1 17 VAL HG23 H -3.346 0.950 -9.077 1.00 . A A . 36 VAL HG23 1 1 2 983 1 1 17 VAL N N -5.458 2.688 -6.005 1.00 . A A . 36 VAL N 1 1 2 984 1 1 17 VAL O O -6.143 4.799 -8.748 1.00 . A A . 36 VAL O 1 1 2 985 1 1 18 THR C C -8.369 6.009 -7.315 1.00 . A A . 37 THR C 1 1 2 986 1 1 18 THR CA C -8.670 4.660 -7.929 1.00 . A A . 37 THR CA 1 1 2 987 1 1 18 THR CB C -10.033 4.150 -7.455 1.00 . A A . 37 THR CB 1 1 2 988 1 1 18 THR CG2 C -11.123 4.637 -8.412 1.00 . A A . 37 THR CG2 1 1 2 989 1 1 18 THR H H -7.765 3.043 -6.818 1.00 . A A . 37 THR H 1 1 2 990 1 1 18 THR HA H -8.653 4.763 -9.005 1.00 . A A . 37 THR HA 1 1 2 991 1 1 18 THR HB H -10.236 4.526 -6.465 1.00 . A A . 37 THR HB 1 1 2 992 1 1 18 THR HG1 H -10.215 2.416 -8.317 1.00 . A A . 37 THR HG1 1 1 2 993 1 1 18 THR HG21 H -10.665 5.033 -9.306 1.00 . A A . 37 THR HG21 1 1 2 994 1 1 18 THR HG22 H -11.769 3.812 -8.673 1.00 . A A . 37 THR HG22 1 1 2 995 1 1 18 THR HG23 H -11.704 5.411 -7.932 1.00 . A A . 37 THR HG23 1 1 2 996 1 1 18 THR N N -7.584 3.740 -7.483 1.00 . A A . 37 THR N 1 1 2 997 1 1 18 THR O O -8.550 7.042 -7.928 1.00 . A A . 37 THR O 1 1 2 998 1 1 18 THR OG1 O -10.022 2.729 -7.431 1.00 . A A . 37 THR OG1 1 1 2 999 1 1 19 THR C C -5.948 7.462 -5.775 1.00 . A A . 38 THR C 1 1 2 1000 1 1 19 THR CA C -7.445 7.285 -5.516 1.00 . A A . 38 THR CA 1 1 2 1001 1 1 19 THR CB C -7.724 7.302 -4.021 1.00 . A A . 38 THR CB 1 1 2 1002 1 1 19 THR CG2 C -7.135 8.589 -3.470 1.00 . A A . 38 THR CG2 1 1 2 1003 1 1 19 THR H H -7.647 5.158 -5.673 1.00 . A A . 38 THR H 1 1 2 1004 1 1 19 THR HA H -7.986 8.090 -5.996 1.00 . A A . 38 THR HA 1 1 2 1005 1 1 19 THR HB H -7.255 6.459 -3.545 1.00 . A A . 38 THR HB 1 1 2 1006 1 1 19 THR HG1 H -9.312 6.555 -3.182 1.00 . A A . 38 THR HG1 1 1 2 1007 1 1 19 THR HG21 H -6.837 9.214 -4.305 1.00 . A A . 38 THR HG21 1 1 2 1008 1 1 19 THR HG22 H -7.874 9.104 -2.876 1.00 . A A . 38 THR HG22 1 1 2 1009 1 1 19 THR HG23 H -6.271 8.360 -2.869 1.00 . A A . 38 THR HG23 1 1 2 1010 1 1 19 THR N N -7.836 6.005 -6.129 1.00 . A A . 38 THR N 1 1 2 1011 1 1 19 THR O O -5.239 8.143 -5.064 1.00 . A A . 38 THR O 1 1 2 1012 1 1 19 THR OG1 O -9.127 7.270 -3.794 1.00 . A A . 38 THR OG1 1 1 2 1013 1 1 20 THR C C -3.769 8.468 -7.464 1.00 . A A . 39 THR C 1 1 2 1014 1 1 20 THR CA C -4.056 6.994 -7.229 1.00 . A A . 39 THR CA 1 1 2 1015 1 1 20 THR CB C -3.807 6.215 -8.523 1.00 . A A . 39 THR CB 1 1 2 1016 1 1 20 THR CG2 C -4.718 6.753 -9.626 1.00 . A A . 39 THR CG2 1 1 2 1017 1 1 20 THR H H -6.093 6.361 -7.391 1.00 . A A . 39 THR H 1 1 2 1018 1 1 20 THR HA H -3.429 6.621 -6.450 1.00 . A A . 39 THR HA 1 1 2 1019 1 1 20 THR HB H -4.022 5.171 -8.362 1.00 . A A . 39 THR HB 1 1 2 1020 1 1 20 THR HG1 H -2.416 6.403 -9.870 1.00 . A A . 39 THR HG1 1 1 2 1021 1 1 20 THR HG21 H -5.594 7.204 -9.183 1.00 . A A . 39 THR HG21 1 1 2 1022 1 1 20 THR HG22 H -4.185 7.494 -10.205 1.00 . A A . 39 THR HG22 1 1 2 1023 1 1 20 THR HG23 H -5.020 5.941 -10.272 1.00 . A A . 39 THR HG23 1 1 2 1024 1 1 20 THR N N -5.485 6.865 -6.836 1.00 . A A . 39 THR N 1 1 2 1025 1 1 20 THR O O -2.638 8.904 -7.559 1.00 . A A . 39 THR O 1 1 2 1026 1 1 20 THR OG1 O -2.449 6.366 -8.911 1.00 . A A . 39 THR OG1 1 1 2 1027 1 1 21 ASN C C -4.493 11.382 -6.425 1.00 . A A . 40 ASN C 1 1 2 1028 1 1 21 ASN CA C -4.711 10.683 -7.774 1.00 . A A . 40 ASN CA 1 1 2 1029 1 1 21 ASN CB C -6.036 11.125 -8.375 1.00 . A A . 40 ASN CB 1 1 2 1030 1 1 21 ASN CG C -5.816 12.319 -9.306 1.00 . A A . 40 ASN CG 1 1 2 1031 1 1 21 ASN H H -5.697 8.827 -7.473 1.00 . A A . 40 ASN H 1 1 2 1032 1 1 21 ASN HA H -3.902 10.906 -8.452 1.00 . A A . 40 ASN HA 1 1 2 1033 1 1 21 ASN HB2 H -6.468 10.293 -8.928 1.00 . A A . 40 ASN HB2 1 1 2 1034 1 1 21 ASN HB3 H -6.702 11.404 -7.577 1.00 . A A . 40 ASN HB3 1 1 2 1035 1 1 21 ASN HD21 H -6.640 11.426 -10.877 1.00 . A A . 40 ASN HD21 1 1 2 1036 1 1 21 ASN HD22 H -6.072 13.001 -11.153 1.00 . A A . 40 ASN HD22 1 1 2 1037 1 1 21 ASN N N -4.815 9.227 -7.553 1.00 . A A . 40 ASN N 1 1 2 1038 1 1 21 ASN ND2 N -6.209 12.242 -10.548 1.00 . A A . 40 ASN ND2 1 1 2 1039 1 1 21 ASN O O -5.099 12.393 -6.129 1.00 . A A . 40 ASN O 1 1 2 1040 1 1 21 ASN OD1 O -5.281 13.331 -8.899 1.00 . A A . 40 ASN OD1 1 1 2 1041 1 1 22 GLY C C -3.678 10.392 -3.180 1.00 . A A . 41 GLY C 1 1 2 1042 1 1 22 GLY CA C -3.370 11.431 -4.264 1.00 . A A . 41 GLY CA 1 1 2 1043 1 1 22 GLY H H -3.179 10.022 -5.874 1.00 . A A . 41 GLY H 1 1 2 1044 1 1 22 GLY HA2 H -3.997 12.297 -4.119 1.00 . A A . 41 GLY HA2 1 1 2 1045 1 1 22 GLY HA3 H -2.328 11.721 -4.201 1.00 . A A . 41 GLY HA3 1 1 2 1046 1 1 22 GLY N N -3.639 10.834 -5.607 1.00 . A A . 41 GLY N 1 1 2 1047 1 1 22 GLY O O -3.762 9.211 -3.447 1.00 . A A . 41 GLY O 1 1 2 1048 1 1 23 TRP C C -5.636 9.459 -0.917 1.00 . A A . 42 TRP C 1 1 2 1049 1 1 23 TRP CA C -4.154 9.841 -0.869 1.00 . A A . 42 TRP CA 1 1 2 1050 1 1 23 TRP CB C -3.856 10.475 0.490 1.00 . A A . 42 TRP CB 1 1 2 1051 1 1 23 TRP CD1 C -1.350 10.857 0.473 1.00 . A A . 42 TRP CD1 1 1 2 1052 1 1 23 TRP CD2 C -1.970 9.192 1.846 1.00 . A A . 42 TRP CD2 1 1 2 1053 1 1 23 TRP CE2 C -0.567 9.308 1.955 1.00 . A A . 42 TRP CE2 1 1 2 1054 1 1 23 TRP CE3 C -2.615 8.208 2.607 1.00 . A A . 42 TRP CE3 1 1 2 1055 1 1 23 TRP CG C -2.447 10.194 0.906 1.00 . A A . 42 TRP CG 1 1 2 1056 1 1 23 TRP CH2 C -0.490 7.499 3.552 1.00 . A A . 42 TRP CH2 1 1 2 1057 1 1 23 TRP CZ2 C 0.169 8.475 2.798 1.00 . A A . 42 TRP CZ2 1 1 2 1058 1 1 23 TRP CZ3 C -1.881 7.366 3.453 1.00 . A A . 42 TRP CZ3 1 1 2 1059 1 1 23 TRP H H -3.782 11.773 -1.756 1.00 . A A . 42 TRP H 1 1 2 1060 1 1 23 TRP HA H -3.547 8.956 -0.995 1.00 . A A . 42 TRP HA 1 1 2 1061 1 1 23 TRP HB2 H -4.001 11.541 0.426 1.00 . A A . 42 TRP HB2 1 1 2 1062 1 1 23 TRP HB3 H -4.533 10.069 1.227 1.00 . A A . 42 TRP HB3 1 1 2 1063 1 1 23 TRP HD1 H -1.339 11.660 -0.239 1.00 . A A . 42 TRP HD1 1 1 2 1064 1 1 23 TRP HE1 H 0.674 10.653 0.962 1.00 . A A . 42 TRP HE1 1 1 2 1065 1 1 23 TRP HE3 H -3.681 8.093 2.534 1.00 . A A . 42 TRP HE3 1 1 2 1066 1 1 23 TRP HH2 H 0.072 6.847 4.205 1.00 . A A . 42 TRP HH2 1 1 2 1067 1 1 23 TRP HZ2 H 1.236 8.587 2.871 1.00 . A A . 42 TRP HZ2 1 1 2 1068 1 1 23 TRP HZ3 H -2.393 6.613 4.034 1.00 . A A . 42 TRP HZ3 1 1 2 1069 1 1 23 TRP N N -3.851 10.816 -1.958 1.00 . A A . 42 TRP N 1 1 2 1070 1 1 23 TRP NE1 N -0.240 10.340 1.099 1.00 . A A . 42 TRP NE1 1 1 2 1071 1 1 23 TRP O O -6.488 10.277 -1.203 1.00 . A A . 42 TRP O 1 1 2 1072 1 1 24 GLY C C -7.651 6.844 0.514 1.00 . A A . 43 GLY C 1 1 2 1073 1 1 24 GLY CA C -7.379 7.793 -0.654 1.00 . A A . 43 GLY CA 1 1 2 1074 1 1 24 GLY H H -5.248 7.582 -0.400 1.00 . A A . 43 GLY H 1 1 2 1075 1 1 24 GLY HA2 H -7.585 7.281 -1.581 1.00 . A A . 43 GLY HA2 1 1 2 1076 1 1 24 GLY HA3 H -8.017 8.660 -0.570 1.00 . A A . 43 GLY HA3 1 1 2 1077 1 1 24 GLY N N -5.951 8.224 -0.631 1.00 . A A . 43 GLY N 1 1 2 1078 1 1 24 GLY O O -6.842 6.696 1.410 1.00 . A A . 43 GLY O 1 1 2 1079 1 1 25 TRP C C -9.847 4.041 1.036 1.00 . A A . 44 TRP C 1 1 2 1080 1 1 25 TRP CA C -9.120 5.257 1.614 1.00 . A A . 44 TRP CA 1 1 2 1081 1 1 25 TRP CB C -10.030 5.957 2.623 1.00 . A A . 44 TRP CB 1 1 2 1082 1 1 25 TRP CD1 C -11.195 4.137 3.907 1.00 . A A . 44 TRP CD1 1 1 2 1083 1 1 25 TRP CD2 C -9.494 5.036 5.047 1.00 . A A . 44 TRP CD2 1 1 2 1084 1 1 25 TRP CE2 C -10.058 4.040 5.869 1.00 . A A . 44 TRP CE2 1 1 2 1085 1 1 25 TRP CE3 C -8.400 5.757 5.537 1.00 . A A . 44 TRP CE3 1 1 2 1086 1 1 25 TRP CG C -10.238 5.076 3.804 1.00 . A A . 44 TRP CG 1 1 2 1087 1 1 25 TRP CH2 C -8.471 4.484 7.615 1.00 . A A . 44 TRP CH2 1 1 2 1088 1 1 25 TRP CZ2 C -9.564 3.762 7.128 1.00 . A A . 44 TRP CZ2 1 1 2 1089 1 1 25 TRP CZ3 C -7.887 5.484 6.818 1.00 . A A . 44 TRP CZ3 1 1 2 1090 1 1 25 TRP H H -9.421 6.337 -0.223 1.00 . A A . 44 TRP H 1 1 2 1091 1 1 25 TRP HA H -8.212 4.939 2.108 1.00 . A A . 44 TRP HA 1 1 2 1092 1 1 25 TRP HB2 H -9.577 6.873 2.942 1.00 . A A . 44 TRP HB2 1 1 2 1093 1 1 25 TRP HB3 H -10.980 6.169 2.166 1.00 . A A . 44 TRP HB3 1 1 2 1094 1 1 25 TRP HD1 H -11.921 3.908 3.158 1.00 . A A . 44 TRP HD1 1 1 2 1095 1 1 25 TRP HE1 H -11.658 2.807 5.463 1.00 . A A . 44 TRP HE1 1 1 2 1096 1 1 25 TRP HE3 H -7.952 6.525 4.922 1.00 . A A . 44 TRP HE3 1 1 2 1097 1 1 25 TRP HH2 H -8.076 4.275 8.598 1.00 . A A . 44 TRP HH2 1 1 2 1098 1 1 25 TRP HZ2 H -10.030 2.990 7.719 1.00 . A A . 44 TRP HZ2 1 1 2 1099 1 1 25 TRP HZ3 H -7.042 6.044 7.191 1.00 . A A . 44 TRP HZ3 1 1 2 1100 1 1 25 TRP N N -8.786 6.200 0.510 1.00 . A A . 44 TRP N 1 1 2 1101 1 1 25 TRP NE1 N -11.086 3.523 5.134 1.00 . A A . 44 TRP NE1 1 1 2 1102 1 1 25 TRP O O -10.767 4.172 0.253 1.00 . A A . 44 TRP O 1 1 2 1103 1 1 26 GLU C C -9.701 0.420 1.703 1.00 . A A . 45 GLU C 1 1 2 1104 1 1 26 GLU CA C -10.118 1.639 0.877 1.00 . A A . 45 GLU CA 1 1 2 1105 1 1 26 GLU CB C -9.711 1.430 -0.582 1.00 . A A . 45 GLU CB 1 1 2 1106 1 1 26 GLU CD C -8.183 -0.516 -0.935 1.00 . A A . 45 GLU CD 1 1 2 1107 1 1 26 GLU CG C -8.248 0.985 -0.645 1.00 . A A . 45 GLU CG 1 1 2 1108 1 1 26 GLU H H -8.701 2.770 2.043 1.00 . A A . 45 GLU H 1 1 2 1109 1 1 26 GLU HA H -11.190 1.765 0.938 1.00 . A A . 45 GLU HA 1 1 2 1110 1 1 26 GLU HB2 H -10.338 0.671 -1.026 1.00 . A A . 45 GLU HB2 1 1 2 1111 1 1 26 GLU HB3 H -9.827 2.356 -1.125 1.00 . A A . 45 GLU HB3 1 1 2 1112 1 1 26 GLU HG2 H -7.741 1.527 -1.430 1.00 . A A . 45 GLU HG2 1 1 2 1113 1 1 26 GLU HG3 H -7.769 1.187 0.302 1.00 . A A . 45 GLU HG3 1 1 2 1114 1 1 26 GLU N N -9.444 2.857 1.411 1.00 . A A . 45 GLU N 1 1 2 1115 1 1 26 GLU O O -8.769 0.477 2.481 1.00 . A A . 45 GLU O 1 1 2 1116 1 1 26 GLU OE1 O -9.196 -1.176 -0.770 1.00 . A A . 45 GLU OE1 1 1 2 1117 1 1 26 GLU OE2 O -7.121 -0.979 -1.319 1.00 . A A . 45 GLU OE2 1 1 2 1118 1 1 27 ASP C C -10.296 -1.650 3.801 1.00 . A A . 46 ASP C 1 1 2 1119 1 1 27 ASP CA C -10.017 -1.898 2.320 1.00 . A A . 46 ASP CA 1 1 2 1120 1 1 27 ASP CB C -8.533 -2.188 2.134 1.00 . A A . 46 ASP CB 1 1 2 1121 1 1 27 ASP CG C -8.320 -3.692 1.951 1.00 . A A . 46 ASP CG 1 1 2 1122 1 1 27 ASP H H -11.129 -0.709 0.909 1.00 . A A . 46 ASP H 1 1 2 1123 1 1 27 ASP HA H -10.597 -2.740 1.975 1.00 . A A . 46 ASP HA 1 1 2 1124 1 1 27 ASP HB2 H -8.174 -1.661 1.263 1.00 . A A . 46 ASP HB2 1 1 2 1125 1 1 27 ASP HB3 H -7.995 -1.851 3.006 1.00 . A A . 46 ASP HB3 1 1 2 1126 1 1 27 ASP N N -10.382 -0.681 1.541 1.00 . A A . 46 ASP N 1 1 2 1127 1 1 27 ASP O O -9.640 -2.191 4.668 1.00 . A A . 46 ASP O 1 1 2 1128 1 1 27 ASP OD1 O -8.708 -4.203 0.913 1.00 . A A . 46 ASP OD1 1 1 2 1129 1 1 27 ASP OD2 O -7.774 -4.306 2.851 1.00 . A A . 46 ASP OD2 1 1 2 1130 1 1 28 GLN C C -10.380 0.108 6.183 1.00 . A A . 47 GLN C 1 1 2 1131 1 1 28 GLN CA C -11.591 -0.539 5.511 1.00 . A A . 47 GLN CA 1 1 2 1132 1 1 28 GLN CB C -11.943 -1.845 6.216 1.00 . A A . 47 GLN CB 1 1 2 1133 1 1 28 GLN CD C -14.304 -1.274 6.799 1.00 . A A . 47 GLN CD 1 1 2 1134 1 1 28 GLN CG C -12.913 -1.565 7.365 1.00 . A A . 47 GLN CG 1 1 2 1135 1 1 28 GLN H H -11.773 -0.414 3.377 1.00 . A A . 47 GLN H 1 1 2 1136 1 1 28 GLN HA H -12.433 0.134 5.557 1.00 . A A . 47 GLN HA 1 1 2 1137 1 1 28 GLN HB2 H -12.404 -2.514 5.504 1.00 . A A . 47 GLN HB2 1 1 2 1138 1 1 28 GLN HB3 H -11.044 -2.297 6.606 1.00 . A A . 47 GLN HB3 1 1 2 1139 1 1 28 GLN HE21 H -14.712 0.131 8.140 1.00 . A A . 47 GLN HE21 1 1 2 1140 1 1 28 GLN HE22 H -15.939 -0.167 7.007 1.00 . A A . 47 GLN HE22 1 1 2 1141 1 1 28 GLN HG2 H -12.961 -2.427 8.014 1.00 . A A . 47 GLN HG2 1 1 2 1142 1 1 28 GLN HG3 H -12.570 -0.709 7.926 1.00 . A A . 47 GLN HG3 1 1 2 1143 1 1 28 GLN N N -11.264 -0.833 4.092 1.00 . A A . 47 GLN N 1 1 2 1144 1 1 28 GLN NE2 N -15.047 -0.361 7.362 1.00 . A A . 47 GLN NE2 1 1 2 1145 1 1 28 GLN O O -10.280 0.165 7.393 1.00 . A A . 47 GLN O 1 1 2 1146 1 1 28 GLN OE1 O -14.721 -1.885 5.834 1.00 . A A . 47 GLN OE1 1 1 2 1147 1 1 29 ARG C C -7.803 2.384 5.051 1.00 . A A . 48 ARG C 1 1 2 1148 1 1 29 ARG CA C -8.251 1.251 5.978 1.00 . A A . 48 ARG CA 1 1 2 1149 1 1 29 ARG CB C -7.128 0.218 6.107 1.00 . A A . 48 ARG CB 1 1 2 1150 1 1 29 ARG CD C -6.019 -1.023 7.971 1.00 . A A . 48 ARG CD 1 1 2 1151 1 1 29 ARG CG C -7.364 -0.639 7.353 1.00 . A A . 48 ARG CG 1 1 2 1152 1 1 29 ARG CZ C -5.554 -1.698 10.251 1.00 . A A . 48 ARG CZ 1 1 2 1153 1 1 29 ARG H H -9.564 0.544 4.428 1.00 . A A . 48 ARG H 1 1 2 1154 1 1 29 ARG HA H -8.487 1.653 6.952 1.00 . A A . 48 ARG HA 1 1 2 1155 1 1 29 ARG HB2 H -7.119 -0.414 5.231 1.00 . A A . 48 ARG HB2 1 1 2 1156 1 1 29 ARG HB3 H -6.180 0.725 6.196 1.00 . A A . 48 ARG HB3 1 1 2 1157 1 1 29 ARG HD2 H -5.430 -1.562 7.245 1.00 . A A . 48 ARG HD2 1 1 2 1158 1 1 29 ARG HD3 H -5.492 -0.129 8.271 1.00 . A A . 48 ARG HD3 1 1 2 1159 1 1 29 ARG HE H -6.923 -2.598 9.130 1.00 . A A . 48 ARG HE 1 1 2 1160 1 1 29 ARG HG2 H -7.945 -0.077 8.071 1.00 . A A . 48 ARG HG2 1 1 2 1161 1 1 29 ARG HG3 H -7.901 -1.534 7.077 1.00 . A A . 48 ARG HG3 1 1 2 1162 1 1 29 ARG HH11 H -5.668 0.299 10.158 1.00 . A A . 48 ARG HH11 1 1 2 1163 1 1 29 ARG HH12 H -4.783 -0.339 11.504 1.00 . A A . 48 ARG HH12 1 1 2 1164 1 1 29 ARG HH21 H -5.278 -3.649 10.599 1.00 . A A . 48 ARG HH21 1 1 2 1165 1 1 29 ARG HH22 H -4.564 -2.575 11.754 1.00 . A A . 48 ARG HH22 1 1 2 1166 1 1 29 ARG N N -9.459 0.600 5.401 1.00 . A A . 48 ARG N 1 1 2 1167 1 1 29 ARG NE N -6.249 -1.888 9.163 1.00 . A A . 48 ARG NE 1 1 2 1168 1 1 29 ARG NH1 N -5.316 -0.485 10.670 1.00 . A A . 48 ARG NH1 1 1 2 1169 1 1 29 ARG NH2 N -5.096 -2.720 10.920 1.00 . A A . 48 ARG NH2 1 1 2 1170 1 1 29 ARG O O -8.505 2.761 4.136 1.00 . A A . 48 ARG O 1 1 2 1171 1 1 30 SER C C -5.341 3.459 3.246 1.00 . A A . 49 SER C 1 1 2 1172 1 1 30 SER CA C -6.159 4.037 4.402 1.00 . A A . 49 SER CA 1 1 2 1173 1 1 30 SER CB C -5.282 4.990 5.216 1.00 . A A . 49 SER CB 1 1 2 1174 1 1 30 SER H H -6.084 2.615 6.020 1.00 . A A . 49 SER H 1 1 2 1175 1 1 30 SER HA H -7.008 4.577 4.008 1.00 . A A . 49 SER HA 1 1 2 1176 1 1 30 SER HB2 H -4.537 5.430 4.576 1.00 . A A . 49 SER HB2 1 1 2 1177 1 1 30 SER HB3 H -5.897 5.772 5.639 1.00 . A A . 49 SER HB3 1 1 2 1178 1 1 30 SER HG H -4.793 4.724 7.080 1.00 . A A . 49 SER HG 1 1 2 1179 1 1 30 SER N N -6.640 2.931 5.277 1.00 . A A . 49 SER N 1 1 2 1180 1 1 30 SER O O -4.683 2.446 3.382 1.00 . A A . 49 SER O 1 1 2 1181 1 1 30 SER OG O -4.636 4.263 6.253 1.00 . A A . 49 SER OG 1 1 2 1182 1 1 31 CYS C C -3.807 4.747 0.324 1.00 . A A . 50 CYS C 1 1 2 1183 1 1 31 CYS CA C -4.594 3.591 0.944 1.00 . A A . 50 CYS CA 1 1 2 1184 1 1 31 CYS CB C -5.551 3.007 -0.100 1.00 . A A . 50 CYS CB 1 1 2 1185 1 1 31 CYS H H -5.907 4.915 2.022 1.00 . A A . 50 CYS H 1 1 2 1186 1 1 31 CYS HA H -3.910 2.825 1.276 1.00 . A A . 50 CYS HA 1 1 2 1187 1 1 31 CYS HB2 H -5.072 3.011 -1.068 1.00 . A A . 50 CYS HB2 1 1 2 1188 1 1 31 CYS HB3 H -5.803 1.992 0.172 1.00 . A A . 50 CYS HB3 1 1 2 1189 1 1 31 CYS N N -5.373 4.098 2.109 1.00 . A A . 50 CYS N 1 1 2 1190 1 1 31 CYS O O -4.261 5.873 0.304 1.00 . A A . 50 CYS O 1 1 2 1191 1 1 31 CYS SG S -7.059 4.006 -0.168 1.00 . A A . 50 CYS SG 1 1 2 1192 1 1 32 ILE C C -1.873 5.459 -2.310 1.00 . A A . 51 ILE C 1 1 2 1193 1 1 32 ILE CA C -1.829 5.580 -0.787 1.00 . A A . 51 ILE CA 1 1 2 1194 1 1 32 ILE CB C -0.387 5.494 -0.280 1.00 . A A . 51 ILE CB 1 1 2 1195 1 1 32 ILE CD1 C 1.068 5.930 1.689 1.00 . A A . 51 ILE CD1 1 1 2 1196 1 1 32 ILE CG1 C -0.291 6.222 1.049 1.00 . A A . 51 ILE CG1 1 1 2 1197 1 1 32 ILE CG2 C 0.561 6.172 -1.263 1.00 . A A . 51 ILE CG2 1 1 2 1198 1 1 32 ILE H H -2.275 3.574 -0.151 1.00 . A A . 51 ILE H 1 1 2 1199 1 1 32 ILE HA H -2.254 6.529 -0.497 1.00 . A A . 51 ILE HA 1 1 2 1200 1 1 32 ILE HB H -0.105 4.460 -0.152 1.00 . A A . 51 ILE HB 1 1 2 1201 1 1 32 ILE HD11 H 1.587 5.185 1.105 1.00 . A A . 51 ILE HD11 1 1 2 1202 1 1 32 ILE HD12 H 1.654 6.837 1.718 1.00 . A A . 51 ILE HD12 1 1 2 1203 1 1 32 ILE HD13 H 0.922 5.561 2.693 1.00 . A A . 51 ILE HD13 1 1 2 1204 1 1 32 ILE HG12 H -0.388 7.282 0.868 1.00 . A A . 51 ILE HG12 1 1 2 1205 1 1 32 ILE HG13 H -1.080 5.890 1.703 1.00 . A A . 51 ILE HG13 1 1 2 1206 1 1 32 ILE HG21 H 0.429 5.744 -2.246 1.00 . A A . 51 ILE HG21 1 1 2 1207 1 1 32 ILE HG22 H 0.340 7.232 -1.293 1.00 . A A . 51 ILE HG22 1 1 2 1208 1 1 32 ILE HG23 H 1.578 6.023 -0.932 1.00 . A A . 51 ILE HG23 1 1 2 1209 1 1 32 ILE N N -2.632 4.486 -0.177 1.00 . A A . 51 ILE N 1 1 2 1210 1 1 32 ILE O O -1.662 4.404 -2.869 1.00 . A A . 51 ILE O 1 1 2 1211 1 1 33 ALA C C -1.121 5.681 -5.070 1.00 . A A . 52 ALA C 1 1 2 1212 1 1 33 ALA CA C -2.246 6.516 -4.461 1.00 . A A . 52 ALA CA 1 1 2 1213 1 1 33 ALA CB C -2.176 7.935 -4.999 1.00 . A A . 52 ALA CB 1 1 2 1214 1 1 33 ALA H H -2.327 7.377 -2.487 1.00 . A A . 52 ALA H 1 1 2 1215 1 1 33 ALA HA H -3.190 6.080 -4.736 1.00 . A A . 52 ALA HA 1 1 2 1216 1 1 33 ALA HB1 H -3.176 8.268 -5.221 1.00 . A A . 52 ALA HB1 1 1 2 1217 1 1 33 ALA HB2 H -1.578 7.951 -5.899 1.00 . A A . 52 ALA HB2 1 1 2 1218 1 1 33 ALA HB3 H -1.736 8.581 -4.256 1.00 . A A . 52 ALA HB3 1 1 2 1219 1 1 33 ALA N N -2.157 6.541 -2.974 1.00 . A A . 52 ALA N 1 1 2 1220 1 1 33 ALA O O -0.192 5.300 -4.409 1.00 . A A . 52 ALA O 1 1 2 1221 1 1 34 ARG C C 1.199 5.135 -6.901 1.00 . A A . 53 ARG C 1 1 2 1222 1 1 34 ARG CA C -0.193 4.530 -7.001 1.00 . A A . 53 ARG CA 1 1 2 1223 1 1 34 ARG CB C -0.542 4.375 -8.484 1.00 . A A . 53 ARG CB 1 1 2 1224 1 1 34 ARG CD C -2.385 3.829 -10.075 1.00 . A A . 53 ARG CD 1 1 2 1225 1 1 34 ARG CG C -1.874 3.644 -8.645 1.00 . A A . 53 ARG CG 1 1 2 1226 1 1 34 ARG CZ C -1.062 2.703 -11.762 1.00 . A A . 53 ARG CZ 1 1 2 1227 1 1 34 ARG H H -1.993 5.683 -6.850 1.00 . A A . 53 ARG H 1 1 2 1228 1 1 34 ARG HA H -0.184 3.559 -6.528 1.00 . A A . 53 ARG HA 1 1 2 1229 1 1 34 ARG HB2 H -0.618 5.355 -8.931 1.00 . A A . 53 ARG HB2 1 1 2 1230 1 1 34 ARG HB3 H 0.236 3.813 -8.978 1.00 . A A . 53 ARG HB3 1 1 2 1231 1 1 34 ARG HD2 H -3.459 3.947 -10.060 1.00 . A A . 53 ARG HD2 1 1 2 1232 1 1 34 ARG HD3 H -1.933 4.708 -10.508 1.00 . A A . 53 ARG HD3 1 1 2 1233 1 1 34 ARG HE H -2.519 1.794 -10.767 1.00 . A A . 53 ARG HE 1 1 2 1234 1 1 34 ARG HG2 H -1.733 2.594 -8.447 1.00 . A A . 53 ARG HG2 1 1 2 1235 1 1 34 ARG HG3 H -2.594 4.052 -7.953 1.00 . A A . 53 ARG HG3 1 1 2 1236 1 1 34 ARG HH11 H -2.291 2.830 -13.337 1.00 . A A . 53 ARG HH11 1 1 2 1237 1 1 34 ARG HH12 H -0.598 2.860 -13.703 1.00 . A A . 53 ARG HH12 1 1 2 1238 1 1 34 ARG HH21 H 0.393 2.593 -10.391 1.00 . A A . 53 ARG HH21 1 1 2 1239 1 1 34 ARG HH22 H 0.921 2.725 -12.035 1.00 . A A . 53 ARG HH22 1 1 2 1240 1 1 34 ARG N N -1.222 5.377 -6.337 1.00 . A A . 53 ARG N 1 1 2 1241 1 1 34 ARG NE N -2.028 2.634 -10.888 1.00 . A A . 53 ARG NE 1 1 2 1242 1 1 34 ARG NH1 N -1.338 2.806 -13.033 1.00 . A A . 53 ARG NH1 1 1 2 1243 1 1 34 ARG NH2 N 0.181 2.672 -11.365 1.00 . A A . 53 ARG NH2 1 1 2 1244 1 1 34 ARG O O 2.011 4.685 -6.139 1.00 . A A . 53 ARG O 1 1 2 1245 1 1 35 SER C C 3.184 7.166 -6.230 1.00 . A A . 54 SER C 1 1 2 1246 1 1 35 SER CA C 2.886 6.647 -7.637 1.00 . A A . 54 SER CA 1 1 2 1247 1 1 35 SER CB C 3.054 7.770 -8.660 1.00 . A A . 54 SER CB 1 1 2 1248 1 1 35 SER H H 0.885 6.444 -8.346 1.00 . A A . 54 SER H 1 1 2 1249 1 1 35 SER HA H 3.561 5.836 -7.868 1.00 . A A . 54 SER HA 1 1 2 1250 1 1 35 SER HB2 H 2.278 8.504 -8.523 1.00 . A A . 54 SER HB2 1 1 2 1251 1 1 35 SER HB3 H 4.018 8.240 -8.523 1.00 . A A . 54 SER HB3 1 1 2 1252 1 1 35 SER HG H 2.326 7.755 -10.465 1.00 . A A . 54 SER HG 1 1 2 1253 1 1 35 SER N N 1.516 6.106 -7.696 1.00 . A A . 54 SER N 1 1 2 1254 1 1 35 SER O O 4.256 6.962 -5.700 1.00 . A A . 54 SER O 1 1 2 1255 1 1 35 SER OG O 2.959 7.228 -9.971 1.00 . A A . 54 SER OG 1 1 2 1256 1 1 36 THR C C 2.879 7.070 -3.379 1.00 . A A . 55 THR C 1 1 2 1257 1 1 36 THR CA C 2.543 8.295 -4.219 1.00 . A A . 55 THR CA 1 1 2 1258 1 1 36 THR CB C 1.324 8.997 -3.629 1.00 . A A . 55 THR CB 1 1 2 1259 1 1 36 THR CG2 C 1.599 9.351 -2.165 1.00 . A A . 55 THR CG2 1 1 2 1260 1 1 36 THR H H 1.379 7.977 -6.011 1.00 . A A . 55 THR H 1 1 2 1261 1 1 36 THR HA H 3.376 8.968 -4.232 1.00 . A A . 55 THR HA 1 1 2 1262 1 1 36 THR HB H 0.478 8.341 -3.682 1.00 . A A . 55 THR HB 1 1 2 1263 1 1 36 THR HG1 H 0.410 10.696 -3.878 1.00 . A A . 55 THR HG1 1 1 2 1264 1 1 36 THR HG21 H 2.343 8.675 -1.758 1.00 . A A . 55 THR HG21 1 1 2 1265 1 1 36 THR HG22 H 1.963 10.367 -2.104 1.00 . A A . 55 THR HG22 1 1 2 1266 1 1 36 THR HG23 H 0.684 9.264 -1.598 1.00 . A A . 55 THR HG23 1 1 2 1267 1 1 36 THR N N 2.254 7.821 -5.596 1.00 . A A . 55 THR N 1 1 2 1268 1 1 36 THR O O 3.567 7.143 -2.393 1.00 . A A . 55 THR O 1 1 2 1269 1 1 36 THR OG1 O 1.057 10.182 -4.367 1.00 . A A . 55 THR OG1 1 1 2 1270 1 1 37 CYS C C 3.900 4.001 -3.455 1.00 . A A . 56 CYS C 1 1 2 1271 1 1 37 CYS CA C 2.599 4.671 -3.037 1.00 . A A . 56 CYS CA 1 1 2 1272 1 1 37 CYS CB C 1.466 3.682 -3.406 1.00 . A A . 56 CYS CB 1 1 2 1273 1 1 37 CYS H H 1.804 5.937 -4.577 1.00 . A A . 56 CYS H 1 1 2 1274 1 1 37 CYS HA H 2.612 4.855 -1.967 1.00 . A A . 56 CYS HA 1 1 2 1275 1 1 37 CYS HB2 H 0.530 4.041 -3.064 1.00 . A A . 56 CYS HB2 1 1 2 1276 1 1 37 CYS HB3 H 1.411 3.567 -4.474 1.00 . A A . 56 CYS HB3 1 1 2 1277 1 1 37 CYS N N 2.367 5.944 -3.780 1.00 . A A . 56 CYS N 1 1 2 1278 1 1 37 CYS O O 4.855 3.906 -2.716 1.00 . A A . 56 CYS O 1 1 2 1279 1 1 37 CYS SG S 1.775 2.077 -2.665 1.00 . A A . 56 CYS SG 1 1 2 1280 1 1 38 ALA C C 6.021 3.481 -5.866 1.00 . A A . 57 ALA C 1 1 2 1281 1 1 38 ALA CA C 4.961 2.641 -5.139 1.00 . A A . 57 ALA CA 1 1 2 1282 1 1 38 ALA CB C 4.266 1.675 -6.087 1.00 . A A . 57 ALA CB 1 1 2 1283 1 1 38 ALA H H 3.044 3.473 -5.118 1.00 . A A . 57 ALA H 1 1 2 1284 1 1 38 ALA HA H 5.421 2.092 -4.342 1.00 . A A . 57 ALA HA 1 1 2 1285 1 1 38 ALA HB1 H 3.682 2.251 -6.801 1.00 . A A . 57 ALA HB1 1 1 2 1286 1 1 38 ALA HB2 H 3.599 1.025 -5.496 1.00 . A A . 57 ALA HB2 1 1 2 1287 1 1 38 ALA HB3 H 4.991 1.077 -6.607 1.00 . A A . 57 ALA HB3 1 1 2 1288 1 1 38 ALA N N 3.859 3.439 -4.609 1.00 . A A . 57 ALA N 1 1 2 1289 1 1 38 ALA O O 7.111 3.012 -6.125 1.00 . A A . 57 ALA O 1 1 2 1290 1 1 39 ALA C C 7.610 6.305 -5.914 1.00 . A A . 58 ALA C 1 1 2 1291 1 1 39 ALA CA C 6.747 5.527 -6.917 1.00 . A A . 58 ALA CA 1 1 2 1292 1 1 39 ALA CB C 6.051 6.514 -7.855 1.00 . A A . 58 ALA CB 1 1 2 1293 1 1 39 ALA H H 4.847 5.066 -5.999 1.00 . A A . 58 ALA H 1 1 2 1294 1 1 39 ALA HA H 7.385 4.878 -7.500 1.00 . A A . 58 ALA HA 1 1 2 1295 1 1 39 ALA HB1 H 6.780 6.958 -8.515 1.00 . A A . 58 ALA HB1 1 1 2 1296 1 1 39 ALA HB2 H 5.575 7.288 -7.273 1.00 . A A . 58 ALA HB2 1 1 2 1297 1 1 39 ALA HB3 H 5.309 5.992 -8.439 1.00 . A A . 58 ALA HB3 1 1 2 1298 1 1 39 ALA N N 5.727 4.700 -6.205 1.00 . A A . 58 ALA N 1 1 2 1299 1 1 39 ALA O O 8.075 7.391 -6.202 1.00 . A A . 58 ALA O 1 1 2 1300 1 1 40 GLN C C 10.156 6.095 -3.923 1.00 . A A . 59 GLN C 1 1 2 1301 1 1 40 GLN CA C 8.688 6.496 -3.750 1.00 . A A . 59 GLN CA 1 1 2 1302 1 1 40 GLN CB C 8.272 6.144 -2.321 1.00 . A A . 59 GLN CB 1 1 2 1303 1 1 40 GLN CD C 6.431 5.412 -0.831 1.00 . A A . 59 GLN CD 1 1 2 1304 1 1 40 GLN CG C 6.764 5.932 -2.230 1.00 . A A . 59 GLN CG 1 1 2 1305 1 1 40 GLN H H 7.468 4.887 -4.528 1.00 . A A . 59 GLN H 1 1 2 1306 1 1 40 GLN HA H 8.586 7.560 -3.903 1.00 . A A . 59 GLN HA 1 1 2 1307 1 1 40 GLN HB2 H 8.777 5.240 -2.016 1.00 . A A . 59 GLN HB2 1 1 2 1308 1 1 40 GLN HB3 H 8.557 6.949 -1.660 1.00 . A A . 59 GLN HB3 1 1 2 1309 1 1 40 GLN HE21 H 7.260 6.965 0.086 1.00 . A A . 59 GLN HE21 1 1 2 1310 1 1 40 GLN HE22 H 6.595 5.788 1.111 1.00 . A A . 59 GLN HE22 1 1 2 1311 1 1 40 GLN HG2 H 6.256 6.870 -2.401 1.00 . A A . 59 GLN HG2 1 1 2 1312 1 1 40 GLN HG3 H 6.454 5.210 -2.967 1.00 . A A . 59 GLN HG3 1 1 2 1313 1 1 40 GLN N N 7.841 5.766 -4.746 1.00 . A A . 59 GLN N 1 1 2 1314 1 1 40 GLN NE2 N 6.789 6.115 0.208 1.00 . A A . 59 GLN NE2 1 1 2 1315 1 1 40 GLN O O 10.452 5.048 -4.463 1.00 . A A . 59 GLN O 1 1 2 1316 1 1 40 GLN OE1 O 5.848 4.358 -0.679 1.00 . A A . 59 GLN OE1 1 1 2 1317 1 1 41 PRO C C 12.885 5.757 -2.336 1.00 . A A . 60 PRO C 1 1 2 1318 1 1 41 PRO CA C 12.482 6.695 -3.481 1.00 . A A . 60 PRO CA 1 1 2 1319 1 1 41 PRO CB C 13.082 8.088 -3.277 1.00 . A A . 60 PRO CB 1 1 2 1320 1 1 41 PRO CD C 10.654 8.213 -2.786 1.00 . A A . 60 PRO CD 1 1 2 1321 1 1 41 PRO CG C 11.999 8.931 -2.559 1.00 . A A . 60 PRO CG 1 1 2 1322 1 1 41 PRO HA H 12.776 6.294 -4.436 1.00 . A A . 60 PRO HA 1 1 2 1323 1 1 41 PRO HB2 H 13.972 8.020 -2.663 1.00 . A A . 60 PRO HB2 1 1 2 1324 1 1 41 PRO HB3 H 13.319 8.534 -4.229 1.00 . A A . 60 PRO HB3 1 1 2 1325 1 1 41 PRO HD2 H 10.158 8.033 -1.841 1.00 . A A . 60 PRO HD2 1 1 2 1326 1 1 41 PRO HD3 H 10.023 8.789 -3.444 1.00 . A A . 60 PRO HD3 1 1 2 1327 1 1 41 PRO HG2 H 12.218 8.990 -1.503 1.00 . A A . 60 PRO HG2 1 1 2 1328 1 1 41 PRO HG3 H 11.959 9.922 -2.985 1.00 . A A . 60 PRO HG3 1 1 2 1329 1 1 41 PRO N N 11.030 6.937 -3.430 1.00 . A A . 60 PRO N 1 1 2 1330 1 1 41 PRO O O 12.399 5.877 -1.229 1.00 . A A . 60 PRO O 1 1 2 1331 1 1 42 ALA C C 14.613 4.681 -0.271 1.00 . A A . 61 ALA C 1 1 2 1332 1 1 42 ALA CA C 14.179 3.885 -1.507 1.00 . A A . 61 ALA CA 1 1 2 1333 1 1 42 ALA CB C 15.345 3.026 -1.997 1.00 . A A . 61 ALA CB 1 1 2 1334 1 1 42 ALA H H 14.141 4.738 -3.488 1.00 . A A . 61 ALA H 1 1 2 1335 1 1 42 ALA HA H 13.347 3.248 -1.245 1.00 . A A . 61 ALA HA 1 1 2 1336 1 1 42 ALA HB1 H 15.710 3.417 -2.936 1.00 . A A . 61 ALA HB1 1 1 2 1337 1 1 42 ALA HB2 H 15.009 2.009 -2.138 1.00 . A A . 61 ALA HB2 1 1 2 1338 1 1 42 ALA HB3 H 16.139 3.044 -1.266 1.00 . A A . 61 ALA HB3 1 1 2 1339 1 1 42 ALA N N 13.761 4.825 -2.589 1.00 . A A . 61 ALA N 1 1 2 1340 1 1 42 ALA O O 15.100 5.787 -0.389 1.00 . A A . 61 ALA O 1 1 2 1341 1 1 43 PRO C C 12.309 2.802 0.800 1.00 . A A . 62 PRO C 1 1 2 1342 1 1 43 PRO CA C 13.824 2.742 1.011 1.00 . A A . 62 PRO CA 1 1 2 1343 1 1 43 PRO CB C 14.165 2.336 2.447 1.00 . A A . 62 PRO CB 1 1 2 1344 1 1 43 PRO CD C 14.769 4.721 2.169 1.00 . A A . 62 PRO CD 1 1 2 1345 1 1 43 PRO CG C 14.424 3.649 3.222 1.00 . A A . 62 PRO CG 1 1 2 1346 1 1 43 PRO HA H 14.281 2.057 0.315 1.00 . A A . 62 PRO HA 1 1 2 1347 1 1 43 PRO HB2 H 13.336 1.798 2.886 1.00 . A A . 62 PRO HB2 1 1 2 1348 1 1 43 PRO HB3 H 15.054 1.725 2.460 1.00 . A A . 62 PRO HB3 1 1 2 1349 1 1 43 PRO HD2 H 14.178 5.611 2.331 1.00 . A A . 62 PRO HD2 1 1 2 1350 1 1 43 PRO HD3 H 15.822 4.953 2.195 1.00 . A A . 62 PRO HD3 1 1 2 1351 1 1 43 PRO HG2 H 13.536 3.936 3.770 1.00 . A A . 62 PRO HG2 1 1 2 1352 1 1 43 PRO HG3 H 15.254 3.524 3.899 1.00 . A A . 62 PRO HG3 1 1 2 1353 1 1 43 PRO N N 14.418 4.088 0.882 1.00 . A A . 62 PRO N 1 1 2 1354 1 1 43 PRO O O 11.625 1.798 0.830 1.00 . A A . 62 PRO O 1 1 2 1355 1 1 44 PHE C C 9.958 3.403 -0.951 1.00 . A A . 63 PHE C 1 1 2 1356 1 1 44 PHE CA C 10.318 4.108 0.345 1.00 . A A . 63 PHE CA 1 1 2 1357 1 1 44 PHE CB C 9.966 5.586 0.207 1.00 . A A . 63 PHE CB 1 1 2 1358 1 1 44 PHE CD1 C 10.771 6.016 2.532 1.00 . A A . 63 PHE CD1 1 1 2 1359 1 1 44 PHE CD2 C 11.538 7.473 0.758 1.00 . A A . 63 PHE CD2 1 1 2 1360 1 1 44 PHE CE1 C 11.517 6.747 3.456 1.00 . A A . 63 PHE CE1 1 1 2 1361 1 1 44 PHE CE2 C 12.290 8.207 1.683 1.00 . A A . 63 PHE CE2 1 1 2 1362 1 1 44 PHE CG C 10.779 6.378 1.188 1.00 . A A . 63 PHE CG 1 1 2 1363 1 1 44 PHE CZ C 12.278 7.845 3.035 1.00 . A A . 63 PHE CZ 1 1 2 1364 1 1 44 PHE H H 12.358 4.766 0.543 1.00 . A A . 63 PHE H 1 1 2 1365 1 1 44 PHE HA H 9.772 3.674 1.169 1.00 . A A . 63 PHE HA 1 1 2 1366 1 1 44 PHE HB2 H 10.184 5.918 -0.798 1.00 . A A . 63 PHE HB2 1 1 2 1367 1 1 44 PHE HB3 H 8.917 5.727 0.414 1.00 . A A . 63 PHE HB3 1 1 2 1368 1 1 44 PHE HD1 H 10.184 5.168 2.859 1.00 . A A . 63 PHE HD1 1 1 2 1369 1 1 44 PHE HD2 H 11.542 7.751 -0.285 1.00 . A A . 63 PHE HD2 1 1 2 1370 1 1 44 PHE HE1 H 11.495 6.468 4.496 1.00 . A A . 63 PHE HE1 1 1 2 1371 1 1 44 PHE HE2 H 12.876 9.052 1.355 1.00 . A A . 63 PHE HE2 1 1 2 1372 1 1 44 PHE HZ H 12.856 8.410 3.751 1.00 . A A . 63 PHE HZ 1 1 2 1373 1 1 44 PHE N N 11.784 3.974 0.573 1.00 . A A . 63 PHE N 1 1 2 1374 1 1 44 PHE O O 10.822 3.066 -1.735 1.00 . A A . 63 PHE O 1 1 2 1375 1 1 45 GLY C C 7.205 1.552 -2.371 1.00 . A A . 64 GLY C 1 1 2 1376 1 1 45 GLY CA C 8.371 2.524 -2.508 1.00 . A A . 64 GLY CA 1 1 2 1377 1 1 45 GLY H H 7.984 3.482 -0.588 1.00 . A A . 64 GLY H 1 1 2 1378 1 1 45 GLY HA2 H 9.239 1.984 -2.854 1.00 . A A . 64 GLY HA2 1 1 2 1379 1 1 45 GLY HA3 H 8.114 3.279 -3.236 1.00 . A A . 64 GLY HA3 1 1 2 1380 1 1 45 GLY N N 8.699 3.190 -1.217 1.00 . A A . 64 GLY N 1 1 2 1381 1 1 45 GLY O O 6.075 1.947 -2.163 1.00 . A A . 64 GLY O 1 1 2 1382 1 1 46 ILE C C 6.610 -1.816 -1.496 1.00 . A A . 65 ILE C 1 1 2 1383 1 1 46 ILE CA C 6.347 -0.700 -2.495 1.00 . A A . 65 ILE CA 1 1 2 1384 1 1 46 ILE CB C 6.199 -1.307 -3.881 1.00 . A A . 65 ILE CB 1 1 2 1385 1 1 46 ILE CD1 C 6.928 0.576 -5.322 1.00 . A A . 65 ILE CD1 1 1 2 1386 1 1 46 ILE CG1 C 5.717 -0.226 -4.827 1.00 . A A . 65 ILE CG1 1 1 2 1387 1 1 46 ILE CG2 C 5.187 -2.451 -3.869 1.00 . A A . 65 ILE CG2 1 1 2 1388 1 1 46 ILE H H 8.365 -0.019 -2.767 1.00 . A A . 65 ILE H 1 1 2 1389 1 1 46 ILE HA H 5.440 -0.192 -2.233 1.00 . A A . 65 ILE HA 1 1 2 1390 1 1 46 ILE HB H 7.160 -1.672 -4.212 1.00 . A A . 65 ILE HB 1 1 2 1391 1 1 46 ILE HD11 H 7.809 -0.046 -5.273 1.00 . A A . 65 ILE HD11 1 1 2 1392 1 1 46 ILE HD12 H 6.767 0.887 -6.342 1.00 . A A . 65 ILE HD12 1 1 2 1393 1 1 46 ILE HD13 H 7.069 1.444 -4.697 1.00 . A A . 65 ILE HD13 1 1 2 1394 1 1 46 ILE HG12 H 5.209 -0.679 -5.667 1.00 . A A . 65 ILE HG12 1 1 2 1395 1 1 46 ILE HG13 H 5.026 0.432 -4.302 1.00 . A A . 65 ILE HG13 1 1 2 1396 1 1 46 ILE HG21 H 5.337 -3.064 -2.995 1.00 . A A . 65 ILE HG21 1 1 2 1397 1 1 46 ILE HG22 H 4.192 -2.042 -3.857 1.00 . A A . 65 ILE HG22 1 1 2 1398 1 1 46 ILE HG23 H 5.316 -3.054 -4.756 1.00 . A A . 65 ILE HG23 1 1 2 1399 1 1 46 ILE N N 7.459 0.281 -2.549 1.00 . A A . 65 ILE N 1 1 2 1400 1 1 46 ILE O O 7.733 -2.202 -1.238 1.00 . A A . 65 ILE O 1 1 2 1401 1 1 47 VAL C C 4.672 -4.559 -0.432 1.00 . A A . 66 VAL C 1 1 2 1402 1 1 47 VAL CA C 5.669 -3.479 -0.006 1.00 . A A . 66 VAL CA 1 1 2 1403 1 1 47 VAL CB C 5.340 -3.002 1.411 1.00 . A A . 66 VAL CB 1 1 2 1404 1 1 47 VAL CG1 C 6.015 -3.927 2.424 1.00 . A A . 66 VAL CG1 1 1 2 1405 1 1 47 VAL CG2 C 5.856 -1.573 1.610 1.00 . A A . 66 VAL CG2 1 1 2 1406 1 1 47 VAL H H 4.662 -2.028 -1.222 1.00 . A A . 66 VAL H 1 1 2 1407 1 1 47 VAL HA H 6.673 -3.878 -0.035 1.00 . A A . 66 VAL HA 1 1 2 1408 1 1 47 VAL HB H 4.270 -3.026 1.559 1.00 . A A . 66 VAL HB 1 1 2 1409 1 1 47 VAL HG11 H 6.660 -4.620 1.905 1.00 . A A . 66 VAL HG11 1 1 2 1410 1 1 47 VAL HG12 H 6.603 -3.337 3.113 1.00 . A A . 66 VAL HG12 1 1 2 1411 1 1 47 VAL HG13 H 5.263 -4.475 2.970 1.00 . A A . 66 VAL HG13 1 1 2 1412 1 1 47 VAL HG21 H 6.374 -1.246 0.724 1.00 . A A . 66 VAL HG21 1 1 2 1413 1 1 47 VAL HG22 H 5.022 -0.914 1.802 1.00 . A A . 66 VAL HG22 1 1 2 1414 1 1 47 VAL HG23 H 6.532 -1.551 2.450 1.00 . A A . 66 VAL HG23 1 1 2 1415 1 1 47 VAL N N 5.552 -2.355 -0.964 1.00 . A A . 66 VAL N 1 1 2 1416 1 1 47 VAL O O 3.934 -4.386 -1.387 1.00 . A A . 66 VAL O 1 1 2 1417 1 1 48 GLY C C 4.465 -8.001 -0.519 1.00 . A A . 67 GLY C 1 1 2 1418 1 1 48 GLY CA C 3.686 -6.745 -0.127 1.00 . A A . 67 GLY CA 1 1 2 1419 1 1 48 GLY H H 5.242 -5.788 1.018 1.00 . A A . 67 GLY H 1 1 2 1420 1 1 48 GLY HA2 H 3.089 -6.419 -0.967 1.00 . A A . 67 GLY HA2 1 1 2 1421 1 1 48 GLY HA3 H 3.040 -6.966 0.711 1.00 . A A . 67 GLY HA3 1 1 2 1422 1 1 48 GLY N N 4.639 -5.666 0.255 1.00 . A A . 67 GLY N 1 1 2 1423 1 1 48 GLY O O 5.483 -7.931 -1.179 1.00 . A A . 67 GLY O 1 1 2 1424 1 1 49 SER C C 3.830 -11.261 -1.384 1.00 . A A . 68 SER C 1 1 2 1425 1 1 49 SER CA C 4.713 -10.410 -0.469 1.00 . A A . 68 SER CA 1 1 2 1426 1 1 49 SER CB C 5.028 -11.191 0.807 1.00 . A A . 68 SER CB 1 1 2 1427 1 1 49 SER H H 3.175 -9.188 0.414 1.00 . A A . 68 SER H 1 1 2 1428 1 1 49 SER HA H 5.634 -10.169 -0.980 1.00 . A A . 68 SER HA 1 1 2 1429 1 1 49 SER HB2 H 4.815 -10.580 1.668 1.00 . A A . 68 SER HB2 1 1 2 1430 1 1 49 SER HB3 H 4.416 -12.083 0.841 1.00 . A A . 68 SER HB3 1 1 2 1431 1 1 49 SER HG H 6.723 -11.480 1.717 1.00 . A A . 68 SER HG 1 1 2 1432 1 1 49 SER N N 3.997 -9.152 -0.118 1.00 . A A . 68 SER N 1 1 2 1433 1 1 49 SER O O 3.846 -12.474 -1.324 1.00 . A A . 68 SER O 1 1 2 1434 1 1 49 SER OG O 6.405 -11.545 0.814 1.00 . A A . 68 SER OG 1 1 2 1435 1 1 50 GLY C C 0.776 -10.794 -3.149 1.00 . A A . 69 GLY C 1 1 2 1436 1 1 50 GLY CA C 2.177 -11.408 -3.148 1.00 . A A . 69 GLY CA 1 1 2 1437 1 1 50 GLY H H 3.061 -9.654 -2.263 1.00 . A A . 69 GLY H 1 1 2 1438 1 1 50 GLY HA2 H 2.116 -12.432 -2.812 1.00 . A A . 69 GLY HA2 1 1 2 1439 1 1 50 GLY HA3 H 2.585 -11.379 -4.149 1.00 . A A . 69 GLY HA3 1 1 2 1440 1 1 50 GLY N N 3.059 -10.634 -2.231 1.00 . A A . 69 GLY N 1 1 2 1441 1 1 50 GLY O O -0.070 -11.298 -3.870 1.00 . A A . 69 GLY O 1 1 2 1442 1 1 50 GLY OXT O 0.572 -9.831 -2.428 1.00 . A A . 69 GLY OXT 1 1 3 1443 1 1 1 MET C C -1.520 -9.183 -8.722 1.00 . A A . 20 MET C 1 1 3 1444 1 1 1 MET CA C -1.093 -9.517 -10.153 1.00 . A A . 20 MET CA 1 1 3 1445 1 1 1 MET CB C 0.117 -10.453 -10.119 1.00 . A A . 20 MET CB 1 1 3 1446 1 1 1 MET CE C -0.191 -13.629 -11.372 1.00 . A A . 20 MET CE 1 1 3 1447 1 1 1 MET CG C 0.392 -10.982 -11.528 1.00 . A A . 20 MET CG 1 1 3 1448 1 1 1 MET H1 H -1.444 -7.531 -10.672 1.00 . A A . 20 MET H1 1 1 3 1449 1 1 1 MET H2 H 0.202 -7.933 -10.543 1.00 . A A . 20 MET H2 1 1 3 1450 1 1 1 MET H3 H -0.691 -8.443 -11.891 1.00 . A A . 20 MET H3 1 1 3 1451 1 1 1 MET HA H -1.909 -10.001 -10.668 1.00 . A A . 20 MET HA 1 1 3 1452 1 1 1 MET HB2 H 0.980 -9.912 -9.761 1.00 . A A . 20 MET HB2 1 1 3 1453 1 1 1 MET HB3 H -0.088 -11.282 -9.459 1.00 . A A . 20 MET HB3 1 1 3 1454 1 1 1 MET HE1 H 0.730 -13.388 -10.859 1.00 . A A . 20 MET HE1 1 1 3 1455 1 1 1 MET HE2 H -0.872 -14.099 -10.682 1.00 . A A . 20 MET HE2 1 1 3 1456 1 1 1 MET HE3 H 0.014 -14.305 -12.191 1.00 . A A . 20 MET HE3 1 1 3 1457 1 1 1 MET HG2 H 0.436 -10.155 -12.221 1.00 . A A . 20 MET HG2 1 1 3 1458 1 1 1 MET HG3 H 1.335 -11.509 -11.536 1.00 . A A . 20 MET HG3 1 1 3 1459 1 1 1 MET N N -0.729 -8.261 -10.869 1.00 . A A . 20 MET N 1 1 3 1460 1 1 1 MET O O -0.727 -9.224 -7.802 1.00 . A A . 20 MET O 1 1 3 1461 1 1 1 MET SD S -0.934 -12.111 -12.018 1.00 . A A . 20 MET SD 1 1 3 1462 1 1 2 GLY C C -3.179 -7.001 -6.950 1.00 . A A . 21 GLY C 1 1 3 1463 1 1 2 GLY CA C -3.243 -8.515 -7.156 1.00 . A A . 21 GLY CA 1 1 3 1464 1 1 2 GLY H H -3.391 -8.824 -9.283 1.00 . A A . 21 GLY H 1 1 3 1465 1 1 2 GLY HA2 H -2.614 -9.001 -6.426 1.00 . A A . 21 GLY HA2 1 1 3 1466 1 1 2 GLY HA3 H -4.262 -8.855 -7.036 1.00 . A A . 21 GLY HA3 1 1 3 1467 1 1 2 GLY N N -2.767 -8.852 -8.527 1.00 . A A . 21 GLY N 1 1 3 1468 1 1 2 GLY O O -3.692 -6.235 -7.741 1.00 . A A . 21 GLY O 1 1 3 1469 1 1 3 ASN C C -1.075 -4.771 -5.068 1.00 . A A . 22 ASN C 1 1 3 1470 1 1 3 ASN CA C -2.456 -5.098 -5.637 1.00 . A A . 22 ASN CA 1 1 3 1471 1 1 3 ASN CB C -3.534 -4.684 -4.632 1.00 . A A . 22 ASN CB 1 1 3 1472 1 1 3 ASN CG C -3.330 -5.445 -3.321 1.00 . A A . 22 ASN CG 1 1 3 1473 1 1 3 ASN H H -2.146 -7.197 -5.266 1.00 . A A . 22 ASN H 1 1 3 1474 1 1 3 ASN HA H -2.602 -4.561 -6.562 1.00 . A A . 22 ASN HA 1 1 3 1475 1 1 3 ASN HB2 H -3.463 -3.621 -4.448 1.00 . A A . 22 ASN HB2 1 1 3 1476 1 1 3 ASN HB3 H -4.508 -4.916 -5.032 1.00 . A A . 22 ASN HB3 1 1 3 1477 1 1 3 ASN HD21 H -4.211 -4.053 -2.212 1.00 . A A . 22 ASN HD21 1 1 3 1478 1 1 3 ASN HD22 H -3.635 -5.404 -1.359 1.00 . A A . 22 ASN HD22 1 1 3 1479 1 1 3 ASN N N -2.553 -6.564 -5.892 1.00 . A A . 22 ASN N 1 1 3 1480 1 1 3 ASN ND2 N -3.761 -4.924 -2.204 1.00 . A A . 22 ASN ND2 1 1 3 1481 1 1 3 ASN O O -0.544 -5.493 -4.247 1.00 . A A . 22 ASN O 1 1 3 1482 1 1 3 ASN OD1 O -2.772 -6.524 -3.312 1.00 . A A . 22 ASN OD1 1 1 3 1483 1 1 4 GLN C C 0.714 -2.552 -3.669 1.00 . A A . 23 GLN C 1 1 3 1484 1 1 4 GLN CA C 0.862 -3.319 -4.980 1.00 . A A . 23 GLN CA 1 1 3 1485 1 1 4 GLN CB C 1.580 -2.435 -5.997 1.00 . A A . 23 GLN CB 1 1 3 1486 1 1 4 GLN CD C 1.768 -2.124 -8.470 1.00 . A A . 23 GLN CD 1 1 3 1487 1 1 4 GLN CG C 1.649 -3.155 -7.345 1.00 . A A . 23 GLN CG 1 1 3 1488 1 1 4 GLN H H -0.929 -3.119 -6.160 1.00 . A A . 23 GLN H 1 1 3 1489 1 1 4 GLN HA H 1.442 -4.216 -4.810 1.00 . A A . 23 GLN HA 1 1 3 1490 1 1 4 GLN HB2 H 1.039 -1.508 -6.108 1.00 . A A . 23 GLN HB2 1 1 3 1491 1 1 4 GLN HB3 H 2.580 -2.226 -5.652 1.00 . A A . 23 GLN HB3 1 1 3 1492 1 1 4 GLN HE21 H 3.719 -1.855 -8.207 1.00 . A A . 23 GLN HE21 1 1 3 1493 1 1 4 GLN HE22 H 3.019 -0.932 -9.448 1.00 . A A . 23 GLN HE22 1 1 3 1494 1 1 4 GLN HG2 H 2.509 -3.807 -7.360 1.00 . A A . 23 GLN HG2 1 1 3 1495 1 1 4 GLN HG3 H 0.752 -3.738 -7.487 1.00 . A A . 23 GLN HG3 1 1 3 1496 1 1 4 GLN N N -0.486 -3.689 -5.498 1.00 . A A . 23 GLN N 1 1 3 1497 1 1 4 GLN NE2 N 2.932 -1.593 -8.730 1.00 . A A . 23 GLN NE2 1 1 3 1498 1 1 4 GLN O O -0.330 -1.991 -3.367 1.00 . A A . 23 GLN O 1 1 3 1499 1 1 4 GLN OE1 O 0.794 -1.799 -9.118 1.00 . A A . 23 GLN OE1 1 1 3 1500 1 1 5 GLN C C 2.656 -0.677 -1.468 1.00 . A A . 24 GLN C 1 1 3 1501 1 1 5 GLN CA C 1.632 -1.800 -1.587 1.00 . A A . 24 GLN CA 1 1 3 1502 1 1 5 GLN CB C 1.786 -2.778 -0.420 1.00 . A A . 24 GLN CB 1 1 3 1503 1 1 5 GLN CD C 0.253 -3.983 1.142 1.00 . A A . 24 GLN CD 1 1 3 1504 1 1 5 GLN CG C 0.602 -2.622 0.537 1.00 . A A . 24 GLN CG 1 1 3 1505 1 1 5 GLN H H 2.570 -2.993 -3.115 1.00 . A A . 24 GLN H 1 1 3 1506 1 1 5 GLN HA H 0.662 -1.350 -1.550 1.00 . A A . 24 GLN HA 1 1 3 1507 1 1 5 GLN HB2 H 1.812 -3.788 -0.800 1.00 . A A . 24 GLN HB2 1 1 3 1508 1 1 5 GLN HB3 H 2.704 -2.567 0.108 1.00 . A A . 24 GLN HB3 1 1 3 1509 1 1 5 GLN HE21 H 1.299 -3.672 2.802 1.00 . A A . 24 GLN HE21 1 1 3 1510 1 1 5 GLN HE22 H 0.507 -5.171 2.713 1.00 . A A . 24 GLN HE22 1 1 3 1511 1 1 5 GLN HG2 H 0.867 -1.933 1.326 1.00 . A A . 24 GLN HG2 1 1 3 1512 1 1 5 GLN HG3 H -0.249 -2.241 -0.005 1.00 . A A . 24 GLN HG3 1 1 3 1513 1 1 5 GLN N N 1.745 -2.526 -2.873 1.00 . A A . 24 GLN N 1 1 3 1514 1 1 5 GLN NE2 N 0.726 -4.301 2.317 1.00 . A A . 24 GLN NE2 1 1 3 1515 1 1 5 GLN O O 3.389 -0.372 -2.383 1.00 . A A . 24 GLN O 1 1 3 1516 1 1 5 GLN OE1 O -0.457 -4.764 0.541 1.00 . A A . 24 GLN OE1 1 1 3 1517 1 1 6 CYS C C 4.435 0.942 1.088 1.00 . A A . 25 CYS C 1 1 3 1518 1 1 6 CYS CA C 3.489 1.159 -0.097 1.00 . A A . 25 CYS CA 1 1 3 1519 1 1 6 CYS CB C 2.561 2.314 0.288 1.00 . A A . 25 CYS CB 1 1 3 1520 1 1 6 CYS H H 1.969 -0.252 0.324 1.00 . A A . 25 CYS H 1 1 3 1521 1 1 6 CYS HA H 4.043 1.418 -0.982 1.00 . A A . 25 CYS HA 1 1 3 1522 1 1 6 CYS HB2 H 2.309 2.215 1.337 1.00 . A A . 25 CYS HB2 1 1 3 1523 1 1 6 CYS HB3 H 3.051 3.264 0.111 1.00 . A A . 25 CYS HB3 1 1 3 1524 1 1 6 CYS N N 2.624 -0.015 -0.344 1.00 . A A . 25 CYS N 1 1 3 1525 1 1 6 CYS O O 4.000 0.859 2.219 1.00 . A A . 25 CYS O 1 1 3 1526 1 1 6 CYS SG S 1.044 2.228 -0.681 1.00 . A A . 25 CYS SG 1 1 3 1527 1 1 7 ASN C C 6.779 2.312 2.481 1.00 . A A . 26 ASN C 1 1 3 1528 1 1 7 ASN CA C 6.664 0.865 2.005 1.00 . A A . 26 ASN CA 1 1 3 1529 1 1 7 ASN CB C 8.021 0.325 1.545 1.00 . A A . 26 ASN CB 1 1 3 1530 1 1 7 ASN CG C 9.115 0.779 2.516 1.00 . A A . 26 ASN CG 1 1 3 1531 1 1 7 ASN H H 6.059 1.093 -0.048 1.00 . A A . 26 ASN H 1 1 3 1532 1 1 7 ASN HA H 6.247 0.246 2.787 1.00 . A A . 26 ASN HA 1 1 3 1533 1 1 7 ASN HB2 H 7.985 -0.760 1.529 1.00 . A A . 26 ASN HB2 1 1 3 1534 1 1 7 ASN HB3 H 8.242 0.699 0.552 1.00 . A A . 26 ASN HB3 1 1 3 1535 1 1 7 ASN HD21 H 7.896 0.842 4.080 1.00 . A A . 26 ASN HD21 1 1 3 1536 1 1 7 ASN HD22 H 9.506 1.274 4.398 1.00 . A A . 26 ASN HD22 1 1 3 1537 1 1 7 ASN N N 5.720 0.951 0.858 1.00 . A A . 26 ASN N 1 1 3 1538 1 1 7 ASN ND2 N 8.814 0.981 3.769 1.00 . A A . 26 ASN ND2 1 1 3 1539 1 1 7 ASN O O 7.665 3.048 2.094 1.00 . A A . 26 ASN O 1 1 3 1540 1 1 7 ASN OD1 O 10.253 0.952 2.128 1.00 . A A . 26 ASN OD1 1 1 3 1541 1 1 8 TRP C C 6.791 4.562 4.663 1.00 . A A . 27 TRP C 1 1 3 1542 1 1 8 TRP CA C 5.713 4.162 3.650 1.00 . A A . 27 TRP CA 1 1 3 1543 1 1 8 TRP CB C 4.344 4.376 4.294 1.00 . A A . 27 TRP CB 1 1 3 1544 1 1 8 TRP CD1 C 3.374 6.592 4.910 1.00 . A A . 27 TRP CD1 1 1 3 1545 1 1 8 TRP CD2 C 3.862 6.430 2.729 1.00 . A A . 27 TRP CD2 1 1 3 1546 1 1 8 TRP CE2 C 3.339 7.727 2.928 1.00 . A A . 27 TRP CE2 1 1 3 1547 1 1 8 TRP CE3 C 4.252 6.058 1.431 1.00 . A A . 27 TRP CE3 1 1 3 1548 1 1 8 TRP CG C 3.882 5.745 4.003 1.00 . A A . 27 TRP CG 1 1 3 1549 1 1 8 TRP CH2 C 3.601 8.243 0.592 1.00 . A A . 27 TRP CH2 1 1 3 1550 1 1 8 TRP CZ2 C 3.208 8.628 1.874 1.00 . A A . 27 TRP CZ2 1 1 3 1551 1 1 8 TRP CZ3 C 4.120 6.957 0.377 1.00 . A A . 27 TRP CZ3 1 1 3 1552 1 1 8 TRP H H 5.063 2.133 3.441 1.00 . A A . 27 TRP H 1 1 3 1553 1 1 8 TRP HA H 5.794 4.792 2.775 1.00 . A A . 27 TRP HA 1 1 3 1554 1 1 8 TRP HB2 H 3.632 3.669 3.898 1.00 . A A . 27 TRP HB2 1 1 3 1555 1 1 8 TRP HB3 H 4.431 4.248 5.367 1.00 . A A . 27 TRP HB3 1 1 3 1556 1 1 8 TRP HD1 H 3.245 6.373 5.956 1.00 . A A . 27 TRP HD1 1 1 3 1557 1 1 8 TRP HE1 H 2.673 8.569 4.716 1.00 . A A . 27 TRP HE1 1 1 3 1558 1 1 8 TRP HE3 H 4.654 5.067 1.239 1.00 . A A . 27 TRP HE3 1 1 3 1559 1 1 8 TRP HH2 H 3.507 8.932 -0.230 1.00 . A A . 27 TRP HH2 1 1 3 1560 1 1 8 TRP HZ2 H 2.807 9.616 2.049 1.00 . A A . 27 TRP HZ2 1 1 3 1561 1 1 8 TRP HZ3 H 4.425 6.657 -0.606 1.00 . A A . 27 TRP HZ3 1 1 3 1562 1 1 8 TRP N N 5.800 2.739 3.225 1.00 . A A . 27 TRP N 1 1 3 1563 1 1 8 TRP NE1 N 3.054 7.780 4.279 1.00 . A A . 27 TRP NE1 1 1 3 1564 1 1 8 TRP O O 6.663 4.298 5.841 1.00 . A A . 27 TRP O 1 1 3 1565 1 1 9 TYR C C 9.049 4.834 6.356 1.00 . A A . 28 TYR C 1 1 3 1566 1 1 9 TYR CA C 8.885 5.745 5.137 1.00 . A A . 28 TYR CA 1 1 3 1567 1 1 9 TYR CB C 8.540 7.157 5.611 1.00 . A A . 28 TYR CB 1 1 3 1568 1 1 9 TYR CD1 C 8.277 8.172 3.313 1.00 . A A . 28 TYR CD1 1 1 3 1569 1 1 9 TYR CD2 C 6.407 8.283 4.845 1.00 . A A . 28 TYR CD2 1 1 3 1570 1 1 9 TYR CE1 C 7.529 8.850 2.342 1.00 . A A . 28 TYR CE1 1 1 3 1571 1 1 9 TYR CE2 C 5.658 8.962 3.874 1.00 . A A . 28 TYR CE2 1 1 3 1572 1 1 9 TYR CG C 7.720 7.887 4.564 1.00 . A A . 28 TYR CG 1 1 3 1573 1 1 9 TYR CZ C 6.219 9.245 2.624 1.00 . A A . 28 TYR CZ 1 1 3 1574 1 1 9 TYR H H 7.860 5.497 3.259 1.00 . A A . 28 TYR H 1 1 3 1575 1 1 9 TYR HA H 9.813 5.772 4.610 1.00 . A A . 28 TYR HA 1 1 3 1576 1 1 9 TYR HB2 H 7.975 7.085 6.528 1.00 . A A . 28 TYR HB2 1 1 3 1577 1 1 9 TYR HB3 H 9.459 7.706 5.786 1.00 . A A . 28 TYR HB3 1 1 3 1578 1 1 9 TYR HD1 H 9.282 7.873 3.099 1.00 . A A . 28 TYR HD1 1 1 3 1579 1 1 9 TYR HD2 H 5.973 8.066 5.810 1.00 . A A . 28 TYR HD2 1 1 3 1580 1 1 9 TYR HE1 H 7.963 9.063 1.372 1.00 . A A . 28 TYR HE1 1 1 3 1581 1 1 9 TYR HE2 H 4.646 9.270 4.090 1.00 . A A . 28 TYR HE2 1 1 3 1582 1 1 9 TYR HH H 6.080 10.454 1.153 1.00 . A A . 28 TYR HH 1 1 3 1583 1 1 9 TYR N N 7.814 5.255 4.214 1.00 . A A . 28 TYR N 1 1 3 1584 1 1 9 TYR O O 9.286 5.292 7.455 1.00 . A A . 28 TYR O 1 1 3 1585 1 1 9 TYR OH O 5.478 9.913 1.670 1.00 . A A . 28 TYR OH 1 1 3 1586 1 1 10 GLY C C 7.711 2.182 7.825 1.00 . A A . 29 GLY C 1 1 3 1587 1 1 10 GLY CA C 9.088 2.623 7.329 1.00 . A A . 29 GLY CA 1 1 3 1588 1 1 10 GLY H H 8.742 3.207 5.284 1.00 . A A . 29 GLY H 1 1 3 1589 1 1 10 GLY HA2 H 9.610 3.125 8.129 1.00 . A A . 29 GLY HA2 1 1 3 1590 1 1 10 GLY HA3 H 9.655 1.756 7.017 1.00 . A A . 29 GLY HA3 1 1 3 1591 1 1 10 GLY N N 8.931 3.554 6.175 1.00 . A A . 29 GLY N 1 1 3 1592 1 1 10 GLY O O 7.506 1.950 8.999 1.00 . A A . 29 GLY O 1 1 3 1593 1 1 11 THR C C 4.750 0.925 6.154 1.00 . A A . 30 THR C 1 1 3 1594 1 1 11 THR CA C 5.406 1.628 7.339 1.00 . A A . 30 THR CA 1 1 3 1595 1 1 11 THR CB C 4.575 2.850 7.739 1.00 . A A . 30 THR CB 1 1 3 1596 1 1 11 THR CG2 C 3.549 2.446 8.799 1.00 . A A . 30 THR CG2 1 1 3 1597 1 1 11 THR H H 6.962 2.246 5.991 1.00 . A A . 30 THR H 1 1 3 1598 1 1 11 THR HA H 5.474 0.945 8.173 1.00 . A A . 30 THR HA 1 1 3 1599 1 1 11 THR HB H 4.060 3.233 6.874 1.00 . A A . 30 THR HB 1 1 3 1600 1 1 11 THR HG1 H 4.887 4.583 8.563 1.00 . A A . 30 THR HG1 1 1 3 1601 1 1 11 THR HG21 H 3.958 1.659 9.415 1.00 . A A . 30 THR HG21 1 1 3 1602 1 1 11 THR HG22 H 3.315 3.300 9.417 1.00 . A A . 30 THR HG22 1 1 3 1603 1 1 11 THR HG23 H 2.650 2.094 8.315 1.00 . A A . 30 THR HG23 1 1 3 1604 1 1 11 THR N N 6.770 2.059 6.934 1.00 . A A . 30 THR N 1 1 3 1605 1 1 11 THR O O 5.320 0.846 5.083 1.00 . A A . 30 THR O 1 1 3 1606 1 1 11 THR OG1 O 5.433 3.852 8.265 1.00 . A A . 30 THR OG1 1 1 3 1607 1 1 12 LEU C C 1.500 0.203 4.986 1.00 . A A . 31 LEU C 1 1 3 1608 1 1 12 LEU CA C 2.919 -0.303 5.191 1.00 . A A . 31 LEU CA 1 1 3 1609 1 1 12 LEU CB C 2.893 -1.802 5.480 1.00 . A A . 31 LEU CB 1 1 3 1610 1 1 12 LEU CD1 C 5.241 -1.678 4.607 1.00 . A A . 31 LEU CD1 1 1 3 1611 1 1 12 LEU CD2 C 4.257 -3.880 5.256 1.00 . A A . 31 LEU CD2 1 1 3 1612 1 1 12 LEU CG C 3.957 -2.513 4.639 1.00 . A A . 31 LEU CG 1 1 3 1613 1 1 12 LEU H H 3.124 0.457 7.194 1.00 . A A . 31 LEU H 1 1 3 1614 1 1 12 LEU HA H 3.484 -0.124 4.287 1.00 . A A . 31 LEU HA 1 1 3 1615 1 1 12 LEU HB2 H 3.095 -1.963 6.530 1.00 . A A . 31 LEU HB2 1 1 3 1616 1 1 12 LEU HB3 H 1.920 -2.198 5.236 1.00 . A A . 31 LEU HB3 1 1 3 1617 1 1 12 LEU HD11 H 5.412 -1.245 5.582 1.00 . A A . 31 LEU HD11 1 1 3 1618 1 1 12 LEU HD12 H 6.076 -2.307 4.340 1.00 . A A . 31 LEU HD12 1 1 3 1619 1 1 12 LEU HD13 H 5.136 -0.888 3.877 1.00 . A A . 31 LEU HD13 1 1 3 1620 1 1 12 LEU HD21 H 4.085 -3.840 6.321 1.00 . A A . 31 LEU HD21 1 1 3 1621 1 1 12 LEU HD22 H 3.610 -4.624 4.814 1.00 . A A . 31 LEU HD22 1 1 3 1622 1 1 12 LEU HD23 H 5.287 -4.142 5.067 1.00 . A A . 31 LEU HD23 1 1 3 1623 1 1 12 LEU HG H 3.589 -2.644 3.632 1.00 . A A . 31 LEU HG 1 1 3 1624 1 1 12 LEU N N 3.571 0.400 6.324 1.00 . A A . 31 LEU N 1 1 3 1625 1 1 12 LEU O O 0.772 0.471 5.921 1.00 . A A . 31 LEU O 1 1 3 1626 1 1 13 TYR C C -0.708 0.203 2.108 1.00 . A A . 32 TYR C 1 1 3 1627 1 1 13 TYR CA C -0.259 0.815 3.437 1.00 . A A . 32 TYR CA 1 1 3 1628 1 1 13 TYR CB C -0.244 2.342 3.297 1.00 . A A . 32 TYR CB 1 1 3 1629 1 1 13 TYR CD1 C 1.133 2.966 5.316 1.00 . A A . 32 TYR CD1 1 1 3 1630 1 1 13 TYR CD2 C -1.203 3.610 5.255 1.00 . A A . 32 TYR CD2 1 1 3 1631 1 1 13 TYR CE1 C 1.265 3.567 6.573 1.00 . A A . 32 TYR CE1 1 1 3 1632 1 1 13 TYR CE2 C -1.072 4.211 6.512 1.00 . A A . 32 TYR CE2 1 1 3 1633 1 1 13 TYR CG C -0.101 2.986 4.657 1.00 . A A . 32 TYR CG 1 1 3 1634 1 1 13 TYR CZ C 0.163 4.189 7.172 1.00 . A A . 32 TYR CZ 1 1 3 1635 1 1 13 TYR H H 1.735 0.101 3.026 1.00 . A A . 32 TYR H 1 1 3 1636 1 1 13 TYR HA H -0.941 0.527 4.223 1.00 . A A . 32 TYR HA 1 1 3 1637 1 1 13 TYR HB2 H 0.593 2.636 2.673 1.00 . A A . 32 TYR HB2 1 1 3 1638 1 1 13 TYR HB3 H -1.173 2.669 2.841 1.00 . A A . 32 TYR HB3 1 1 3 1639 1 1 13 TYR HD1 H 1.982 2.486 4.855 1.00 . A A . 32 TYR HD1 1 1 3 1640 1 1 13 TYR HD2 H -2.155 3.628 4.745 1.00 . A A . 32 TYR HD2 1 1 3 1641 1 1 13 TYR HE1 H 2.217 3.550 7.082 1.00 . A A . 32 TYR HE1 1 1 3 1642 1 1 13 TYR HE2 H -1.922 4.690 6.973 1.00 . A A . 32 TYR HE2 1 1 3 1643 1 1 13 TYR HH H -0.317 5.520 8.453 1.00 . A A . 32 TYR HH 1 1 3 1644 1 1 13 TYR N N 1.112 0.330 3.753 1.00 . A A . 32 TYR N 1 1 3 1645 1 1 13 TYR O O 0.093 0.019 1.215 1.00 . A A . 32 TYR O 1 1 3 1646 1 1 13 TYR OH O 0.294 4.780 8.412 1.00 . A A . 32 TYR OH 1 1 3 1647 1 1 14 PRO C C -2.668 0.470 -0.261 1.00 . A A . 33 PRO C 1 1 3 1648 1 1 14 PRO CA C -2.562 -0.640 0.779 1.00 . A A . 33 PRO CA 1 1 3 1649 1 1 14 PRO CB C -3.940 -1.133 1.222 1.00 . A A . 33 PRO CB 1 1 3 1650 1 1 14 PRO CD C -2.957 0.162 3.088 1.00 . A A . 33 PRO CD 1 1 3 1651 1 1 14 PRO CG C -4.292 -0.337 2.503 1.00 . A A . 33 PRO CG 1 1 3 1652 1 1 14 PRO HA H -1.967 -1.461 0.412 1.00 . A A . 33 PRO HA 1 1 3 1653 1 1 14 PRO HB2 H -4.667 -0.937 0.444 1.00 . A A . 33 PRO HB2 1 1 3 1654 1 1 14 PRO HB3 H -3.906 -2.186 1.444 1.00 . A A . 33 PRO HB3 1 1 3 1655 1 1 14 PRO HD2 H -3.019 1.216 3.325 1.00 . A A . 33 PRO HD2 1 1 3 1656 1 1 14 PRO HD3 H -2.687 -0.410 3.963 1.00 . A A . 33 PRO HD3 1 1 3 1657 1 1 14 PRO HG2 H -4.929 0.501 2.254 1.00 . A A . 33 PRO HG2 1 1 3 1658 1 1 14 PRO HG3 H -4.785 -0.981 3.215 1.00 . A A . 33 PRO HG3 1 1 3 1659 1 1 14 PRO N N -1.981 -0.074 2.005 1.00 . A A . 33 PRO N 1 1 3 1660 1 1 14 PRO O O -3.017 1.586 0.059 1.00 . A A . 33 PRO O 1 1 3 1661 1 1 15 LEU C C -3.814 1.522 -3.018 1.00 . A A . 34 LEU C 1 1 3 1662 1 1 15 LEU CA C -2.401 1.277 -2.503 1.00 . A A . 34 LEU CA 1 1 3 1663 1 1 15 LEU CB C -1.447 0.915 -3.640 1.00 . A A . 34 LEU CB 1 1 3 1664 1 1 15 LEU CD1 C -2.033 2.883 -5.109 1.00 . A A . 34 LEU CD1 1 1 3 1665 1 1 15 LEU CD2 C -1.110 0.756 -6.090 1.00 . A A . 34 LEU CD2 1 1 3 1666 1 1 15 LEU CG C -1.999 1.348 -4.995 1.00 . A A . 34 LEU CG 1 1 3 1667 1 1 15 LEU H H -2.038 -0.696 -1.755 1.00 . A A . 34 LEU H 1 1 3 1668 1 1 15 LEU HA H -2.047 2.190 -2.049 1.00 . A A . 34 LEU HA 1 1 3 1669 1 1 15 LEU HB2 H -0.514 1.418 -3.474 1.00 . A A . 34 LEU HB2 1 1 3 1670 1 1 15 LEU HB3 H -1.287 -0.150 -3.645 1.00 . A A . 34 LEU HB3 1 1 3 1671 1 1 15 LEU HD11 H -1.177 3.301 -4.602 1.00 . A A . 34 LEU HD11 1 1 3 1672 1 1 15 LEU HD12 H -2.018 3.168 -6.148 1.00 . A A . 34 LEU HD12 1 1 3 1673 1 1 15 LEU HD13 H -2.932 3.266 -4.665 1.00 . A A . 34 LEU HD13 1 1 3 1674 1 1 15 LEU HD21 H -0.944 -0.293 -5.887 1.00 . A A . 34 LEU HD21 1 1 3 1675 1 1 15 LEU HD22 H -1.594 0.863 -7.045 1.00 . A A . 34 LEU HD22 1 1 3 1676 1 1 15 LEU HD23 H -0.163 1.272 -6.101 1.00 . A A . 34 LEU HD23 1 1 3 1677 1 1 15 LEU HG H -2.994 0.957 -5.094 1.00 . A A . 34 LEU HG 1 1 3 1678 1 1 15 LEU N N -2.343 0.202 -1.492 1.00 . A A . 34 LEU N 1 1 3 1679 1 1 15 LEU O O -4.553 0.625 -3.376 1.00 . A A . 34 LEU O 1 1 3 1680 1 1 16 CYS C C -5.206 3.552 -5.133 1.00 . A A . 35 CYS C 1 1 3 1681 1 1 16 CYS CA C -5.431 3.220 -3.659 1.00 . A A . 35 CYS CA 1 1 3 1682 1 1 16 CYS CB C -5.857 4.494 -2.950 1.00 . A A . 35 CYS CB 1 1 3 1683 1 1 16 CYS H H -3.469 3.438 -2.852 1.00 . A A . 35 CYS H 1 1 3 1684 1 1 16 CYS HA H -6.181 2.452 -3.548 1.00 . A A . 35 CYS HA 1 1 3 1685 1 1 16 CYS HB2 H -5.151 4.718 -2.163 1.00 . A A . 35 CYS HB2 1 1 3 1686 1 1 16 CYS HB3 H -5.861 5.299 -3.667 1.00 . A A . 35 CYS HB3 1 1 3 1687 1 1 16 CYS N N -4.131 2.773 -3.110 1.00 . A A . 35 CYS N 1 1 3 1688 1 1 16 CYS O O -4.753 4.627 -5.471 1.00 . A A . 35 CYS O 1 1 3 1689 1 1 16 CYS SG S -7.511 4.284 -2.249 1.00 . A A . 35 CYS SG 1 1 3 1690 1 1 17 VAL C C -6.334 3.850 -7.998 1.00 . A A . 36 VAL C 1 1 3 1691 1 1 17 VAL CA C -5.249 2.917 -7.453 1.00 . A A . 36 VAL CA 1 1 3 1692 1 1 17 VAL CB C -5.199 1.599 -8.225 1.00 . A A . 36 VAL CB 1 1 3 1693 1 1 17 VAL CG1 C -5.453 1.850 -9.714 1.00 . A A . 36 VAL CG1 1 1 3 1694 1 1 17 VAL CG2 C -3.805 0.989 -8.040 1.00 . A A . 36 VAL CG2 1 1 3 1695 1 1 17 VAL H H -5.832 1.779 -5.716 1.00 . A A . 36 VAL H 1 1 3 1696 1 1 17 VAL HA H -4.293 3.412 -7.553 1.00 . A A . 36 VAL HA 1 1 3 1697 1 1 17 VAL HB H -5.947 0.922 -7.837 1.00 . A A . 36 VAL HB 1 1 3 1698 1 1 17 VAL HG11 H -5.317 2.899 -9.931 1.00 . A A . 36 VAL HG11 1 1 3 1699 1 1 17 VAL HG12 H -4.757 1.268 -10.301 1.00 . A A . 36 VAL HG12 1 1 3 1700 1 1 17 VAL HG13 H -6.463 1.558 -9.962 1.00 . A A . 36 VAL HG13 1 1 3 1701 1 1 17 VAL HG21 H -3.171 1.692 -7.507 1.00 . A A . 36 VAL HG21 1 1 3 1702 1 1 17 VAL HG22 H -3.885 0.074 -7.472 1.00 . A A . 36 VAL HG22 1 1 3 1703 1 1 17 VAL HG23 H -3.373 0.776 -9.006 1.00 . A A . 36 VAL HG23 1 1 3 1704 1 1 17 VAL N N -5.487 2.642 -6.008 1.00 . A A . 36 VAL N 1 1 3 1705 1 1 17 VAL O O -6.058 4.716 -8.800 1.00 . A A . 36 VAL O 1 1 3 1706 1 1 18 THR C C -8.272 6.018 -7.444 1.00 . A A . 37 THR C 1 1 3 1707 1 1 18 THR CA C -8.597 4.668 -8.044 1.00 . A A . 37 THR CA 1 1 3 1708 1 1 18 THR CB C -9.988 4.207 -7.601 1.00 . A A . 37 THR CB 1 1 3 1709 1 1 18 THR CG2 C -10.508 3.144 -8.571 1.00 . A A . 37 THR CG2 1 1 3 1710 1 1 18 THR H H -7.771 3.044 -6.881 1.00 . A A . 37 THR H 1 1 3 1711 1 1 18 THR HA H -8.548 4.752 -9.121 1.00 . A A . 37 THR HA 1 1 3 1712 1 1 18 THR HB H -10.663 5.048 -7.600 1.00 . A A . 37 THR HB 1 1 3 1713 1 1 18 THR HG1 H -9.344 4.229 -5.766 1.00 . A A . 37 THR HG1 1 1 3 1714 1 1 18 THR HG21 H -9.769 2.365 -8.681 1.00 . A A . 37 THR HG21 1 1 3 1715 1 1 18 THR HG22 H -11.423 2.721 -8.183 1.00 . A A . 37 THR HG22 1 1 3 1716 1 1 18 THR HG23 H -10.701 3.598 -9.532 1.00 . A A . 37 THR HG23 1 1 3 1717 1 1 18 THR N N -7.553 3.724 -7.553 1.00 . A A . 37 THR N 1 1 3 1718 1 1 18 THR O O -8.440 7.048 -8.067 1.00 . A A . 37 THR O 1 1 3 1719 1 1 18 THR OG1 O -9.908 3.659 -6.292 1.00 . A A . 37 THR OG1 1 1 3 1720 1 1 19 THR C C -5.834 7.450 -5.892 1.00 . A A . 38 THR C 1 1 3 1721 1 1 19 THR CA C -7.337 7.297 -5.654 1.00 . A A . 38 THR CA 1 1 3 1722 1 1 19 THR CB C -7.642 7.336 -4.164 1.00 . A A . 38 THR CB 1 1 3 1723 1 1 19 THR CG2 C -7.042 8.619 -3.616 1.00 . A A . 38 THR CG2 1 1 3 1724 1 1 19 THR H H -7.571 5.173 -5.792 1.00 . A A . 38 THR H 1 1 3 1725 1 1 19 THR HA H -7.858 8.105 -6.151 1.00 . A A . 38 THR HA 1 1 3 1726 1 1 19 THR HB H -7.199 6.491 -3.671 1.00 . A A . 38 THR HB 1 1 3 1727 1 1 19 THR HG1 H -9.271 6.559 -3.440 1.00 . A A . 38 THR HG1 1 1 3 1728 1 1 19 THR HG21 H -6.712 9.227 -4.449 1.00 . A A . 38 THR HG21 1 1 3 1729 1 1 19 THR HG22 H -7.783 9.154 -3.043 1.00 . A A . 38 THR HG22 1 1 3 1730 1 1 19 THR HG23 H -6.196 8.380 -2.991 1.00 . A A . 38 THR HG23 1 1 3 1731 1 1 19 THR N N -7.743 6.017 -6.258 1.00 . A A . 38 THR N 1 1 3 1732 1 1 19 THR O O -5.126 8.123 -5.174 1.00 . A A . 38 THR O 1 1 3 1733 1 1 19 THR OG1 O -9.048 7.333 -3.963 1.00 . A A . 38 THR OG1 1 1 3 1734 1 1 20 THR C C -3.621 8.432 -7.543 1.00 . A A . 39 THR C 1 1 3 1735 1 1 20 THR CA C -3.922 6.961 -7.315 1.00 . A A . 39 THR CA 1 1 3 1736 1 1 20 THR CB C -3.651 6.196 -8.612 1.00 . A A . 39 THR CB 1 1 3 1737 1 1 20 THR CG2 C -4.644 6.642 -9.686 1.00 . A A . 39 THR CG2 1 1 3 1738 1 1 20 THR H H -5.970 6.348 -7.512 1.00 . A A . 39 THR H 1 1 3 1739 1 1 20 THR HA H -3.311 6.579 -6.524 1.00 . A A . 39 THR HA 1 1 3 1740 1 1 20 THR HB H -3.761 5.136 -8.440 1.00 . A A . 39 THR HB 1 1 3 1741 1 1 20 THR HG1 H -1.801 6.693 -8.279 1.00 . A A . 39 THR HG1 1 1 3 1742 1 1 20 THR HG21 H -5.496 7.112 -9.217 1.00 . A A . 39 THR HG21 1 1 3 1743 1 1 20 THR HG22 H -4.164 7.346 -10.349 1.00 . A A . 39 THR HG22 1 1 3 1744 1 1 20 THR HG23 H -4.973 5.783 -10.251 1.00 . A A . 39 THR HG23 1 1 3 1745 1 1 20 THR N N -5.363 6.847 -6.947 1.00 . A A . 39 THR N 1 1 3 1746 1 1 20 THR O O -2.485 8.859 -7.619 1.00 . A A . 39 THR O 1 1 3 1747 1 1 20 THR OG1 O -2.330 6.477 -9.051 1.00 . A A . 39 THR OG1 1 1 3 1748 1 1 21 ASN C C -4.326 11.359 -6.543 1.00 . A A . 40 ASN C 1 1 3 1749 1 1 21 ASN CA C -4.544 10.650 -7.887 1.00 . A A . 40 ASN CA 1 1 3 1750 1 1 21 ASN CB C -5.863 11.097 -8.496 1.00 . A A . 40 ASN CB 1 1 3 1751 1 1 21 ASN CG C -5.631 12.285 -9.432 1.00 . A A . 40 ASN CG 1 1 3 1752 1 1 21 ASN H H -5.544 8.799 -7.599 1.00 . A A . 40 ASN H 1 1 3 1753 1 1 21 ASN HA H -3.731 10.863 -8.563 1.00 . A A . 40 ASN HA 1 1 3 1754 1 1 21 ASN HB2 H -6.298 10.265 -9.048 1.00 . A A . 40 ASN HB2 1 1 3 1755 1 1 21 ASN HB3 H -6.532 11.384 -7.702 1.00 . A A . 40 ASN HB3 1 1 3 1756 1 1 21 ASN HD21 H -4.755 11.190 -10.837 1.00 . A A . 40 ASN HD21 1 1 3 1757 1 1 21 ASN HD22 H -4.890 12.845 -11.186 1.00 . A A . 40 ASN HD22 1 1 3 1758 1 1 21 ASN N N -4.660 9.195 -7.658 1.00 . A A . 40 ASN N 1 1 3 1759 1 1 21 ASN ND2 N -5.042 12.090 -10.580 1.00 . A A . 40 ASN ND2 1 1 3 1760 1 1 21 ASN O O -4.913 12.386 -6.264 1.00 . A A . 40 ASN O 1 1 3 1761 1 1 21 ASN OD1 O -5.989 13.402 -9.114 1.00 . A A . 40 ASN OD1 1 1 3 1762 1 1 22 GLY C C -3.571 10.387 -3.283 1.00 . A A . 41 GLY C 1 1 3 1763 1 1 22 GLY CA C -3.229 11.409 -4.372 1.00 . A A . 41 GLY CA 1 1 3 1764 1 1 22 GLY H H -3.047 9.978 -5.958 1.00 . A A . 41 GLY H 1 1 3 1765 1 1 22 GLY HA2 H -3.841 12.288 -4.243 1.00 . A A . 41 GLY HA2 1 1 3 1766 1 1 22 GLY HA3 H -2.183 11.680 -4.299 1.00 . A A . 41 GLY HA3 1 1 3 1767 1 1 22 GLY N N -3.494 10.802 -5.708 1.00 . A A . 41 GLY N 1 1 3 1768 1 1 22 GLY O O -3.668 9.204 -3.540 1.00 . A A . 41 GLY O 1 1 3 1769 1 1 23 TRP C C -5.589 9.517 -1.046 1.00 . A A . 42 TRP C 1 1 3 1770 1 1 23 TRP CA C -4.101 9.873 -0.978 1.00 . A A . 42 TRP CA 1 1 3 1771 1 1 23 TRP CB C -3.813 10.518 0.375 1.00 . A A . 42 TRP CB 1 1 3 1772 1 1 23 TRP CD1 C -1.292 10.818 0.417 1.00 . A A . 42 TRP CD1 1 1 3 1773 1 1 23 TRP CD2 C -2.005 9.198 1.797 1.00 . A A . 42 TRP CD2 1 1 3 1774 1 1 23 TRP CE2 C -0.604 9.269 1.947 1.00 . A A . 42 TRP CE2 1 1 3 1775 1 1 23 TRP CE3 C -2.706 8.249 2.552 1.00 . A A . 42 TRP CE3 1 1 3 1776 1 1 23 TRP CG C -2.423 10.199 0.830 1.00 . A A . 42 TRP CG 1 1 3 1777 1 1 23 TRP CH2 C -0.639 7.484 3.573 1.00 . A A . 42 TRP CH2 1 1 3 1778 1 1 23 TRP CZ2 C 0.077 8.424 2.826 1.00 . A A . 42 TRP CZ2 1 1 3 1779 1 1 23 TRP CZ3 C -2.029 7.397 3.433 1.00 . A A . 42 TRP CZ3 1 1 3 1780 1 1 23 TRP H H -3.682 11.786 -1.881 1.00 . A A . 42 TRP H 1 1 3 1781 1 1 23 TRP HA H -3.509 8.976 -1.083 1.00 . A A . 42 TRP HA 1 1 3 1782 1 1 23 TRP HB2 H -3.922 11.587 0.292 1.00 . A A . 42 TRP HB2 1 1 3 1783 1 1 23 TRP HB3 H -4.520 10.147 1.103 1.00 . A A . 42 TRP HB3 1 1 3 1784 1 1 23 TRP HD1 H -1.234 11.607 -0.307 1.00 . A A . 42 TRP HD1 1 1 3 1785 1 1 23 TRP HE1 H 0.710 10.556 0.969 1.00 . A A . 42 TRP HE1 1 1 3 1786 1 1 23 TRP HE3 H -3.772 8.169 2.447 1.00 . A A . 42 TRP HE3 1 1 3 1787 1 1 23 TRP HH2 H -0.122 6.823 4.254 1.00 . A A . 42 TRP HH2 1 1 3 1788 1 1 23 TRP HZ2 H 1.145 8.500 2.931 1.00 . A A . 42 TRP HZ2 1 1 3 1789 1 1 23 TRP HZ3 H -2.584 6.673 4.006 1.00 . A A . 42 TRP HZ3 1 1 3 1790 1 1 23 TRP N N -3.760 10.829 -2.072 1.00 . A A . 42 TRP N 1 1 3 1791 1 1 23 TRP NE1 N -0.218 10.275 1.085 1.00 . A A . 42 TRP NE1 1 1 3 1792 1 1 23 TRP O O -6.422 10.344 -1.359 1.00 . A A . 42 TRP O 1 1 3 1793 1 1 24 GLY C C -7.667 6.972 0.408 1.00 . A A . 43 GLY C 1 1 3 1794 1 1 24 GLY CA C -7.361 7.878 -0.786 1.00 . A A . 43 GLY CA 1 1 3 1795 1 1 24 GLY H H -5.239 7.642 -0.496 1.00 . A A . 43 GLY H 1 1 3 1796 1 1 24 GLY HA2 H -7.559 7.338 -1.700 1.00 . A A . 43 GLY HA2 1 1 3 1797 1 1 24 GLY HA3 H -7.989 8.757 -0.742 1.00 . A A . 43 GLY HA3 1 1 3 1798 1 1 24 GLY N N -5.929 8.291 -0.748 1.00 . A A . 43 GLY N 1 1 3 1799 1 1 24 GLY O O -6.873 6.840 1.319 1.00 . A A . 43 GLY O 1 1 3 1800 1 1 25 TRP C C -9.881 4.201 1.001 1.00 . A A . 44 TRP C 1 1 3 1801 1 1 25 TRP CA C -9.172 5.445 1.545 1.00 . A A . 44 TRP CA 1 1 3 1802 1 1 25 TRP CB C -10.107 6.180 2.505 1.00 . A A . 44 TRP CB 1 1 3 1803 1 1 25 TRP CD1 C -11.259 4.408 3.865 1.00 . A A . 44 TRP CD1 1 1 3 1804 1 1 25 TRP CD2 C -9.586 5.390 4.979 1.00 . A A . 44 TRP CD2 1 1 3 1805 1 1 25 TRP CE2 C -10.143 4.428 5.843 1.00 . A A . 44 TRP CE2 1 1 3 1806 1 1 25 TRP CE3 C -8.508 6.154 5.442 1.00 . A A . 44 TRP CE3 1 1 3 1807 1 1 25 TRP CG C -10.315 5.356 3.725 1.00 . A A . 44 TRP CG 1 1 3 1808 1 1 25 TRP CH2 C -8.585 4.985 7.581 1.00 . A A . 44 TRP CH2 1 1 3 1809 1 1 25 TRP CZ2 C -9.662 4.221 7.120 1.00 . A A . 44 TRP CZ2 1 1 3 1810 1 1 25 TRP CZ3 C -8.007 5.953 6.742 1.00 . A A . 44 TRP CZ3 1 1 3 1811 1 1 25 TRP H H -9.438 6.465 -0.334 1.00 . A A . 44 TRP H 1 1 3 1812 1 1 25 TRP HA H -8.275 5.152 2.071 1.00 . A A . 44 TRP HA 1 1 3 1813 1 1 25 TRP HB2 H -9.672 7.119 2.784 1.00 . A A . 44 TRP HB2 1 1 3 1814 1 1 25 TRP HB3 H -11.052 6.354 2.025 1.00 . A A . 44 TRP HB3 1 1 3 1815 1 1 25 TRP HD1 H -11.972 4.128 3.120 1.00 . A A . 44 TRP HD1 1 1 3 1816 1 1 25 TRP HE1 H -11.720 3.150 5.481 1.00 . A A . 44 TRP HE1 1 1 3 1817 1 1 25 TRP HE3 H -8.065 6.895 4.795 1.00 . A A . 44 TRP HE3 1 1 3 1818 1 1 25 TRP HH2 H -8.200 4.832 8.578 1.00 . A A . 44 TRP HH2 1 1 3 1819 1 1 25 TRP HZ2 H -10.123 3.473 7.743 1.00 . A A . 44 TRP HZ2 1 1 3 1820 1 1 25 TRP HZ3 H -7.176 6.544 7.095 1.00 . A A . 44 TRP HZ3 1 1 3 1821 1 1 25 TRP N N -8.812 6.346 0.411 1.00 . A A . 44 TRP N 1 1 3 1822 1 1 25 TRP NE1 N -11.155 3.858 5.124 1.00 . A A . 44 TRP NE1 1 1 3 1823 1 1 25 TRP O O -10.909 4.293 0.362 1.00 . A A . 44 TRP O 1 1 3 1824 1 1 26 GLU C C -9.544 0.609 1.604 1.00 . A A . 45 GLU C 1 1 3 1825 1 1 26 GLU CA C -9.985 1.795 0.744 1.00 . A A . 45 GLU CA 1 1 3 1826 1 1 26 GLU CB C -9.566 1.556 -0.708 1.00 . A A . 45 GLU CB 1 1 3 1827 1 1 26 GLU CD C -10.453 0.830 -2.928 1.00 . A A . 45 GLU CD 1 1 3 1828 1 1 26 GLU CG C -10.626 0.708 -1.413 1.00 . A A . 45 GLU CG 1 1 3 1829 1 1 26 GLU H H -8.508 2.987 1.766 1.00 . A A . 45 GLU H 1 1 3 1830 1 1 26 GLU HA H -11.058 1.898 0.797 1.00 . A A . 45 GLU HA 1 1 3 1831 1 1 26 GLU HB2 H -9.468 2.506 -1.215 1.00 . A A . 45 GLU HB2 1 1 3 1832 1 1 26 GLU HB3 H -8.620 1.037 -0.729 1.00 . A A . 45 GLU HB3 1 1 3 1833 1 1 26 GLU HG2 H -10.513 -0.326 -1.120 1.00 . A A . 45 GLU HG2 1 1 3 1834 1 1 26 GLU HG3 H -11.610 1.056 -1.136 1.00 . A A . 45 GLU HG3 1 1 3 1835 1 1 26 GLU N N -9.340 3.040 1.249 1.00 . A A . 45 GLU N 1 1 3 1836 1 1 26 GLU O O -8.657 0.724 2.426 1.00 . A A . 45 GLU O 1 1 3 1837 1 1 26 GLU OE1 O -10.467 1.948 -3.417 1.00 . A A . 45 GLU OE1 1 1 3 1838 1 1 26 GLU OE2 O -10.310 -0.195 -3.573 1.00 . A A . 45 GLU OE2 1 1 3 1839 1 1 27 ASP C C -10.110 -1.464 3.698 1.00 . A A . 46 ASP C 1 1 3 1840 1 1 27 ASP CA C -9.763 -1.718 2.234 1.00 . A A . 46 ASP CA 1 1 3 1841 1 1 27 ASP CB C -8.260 -1.937 2.111 1.00 . A A . 46 ASP CB 1 1 3 1842 1 1 27 ASP CG C -7.987 -3.145 1.212 1.00 . A A . 46 ASP CG 1 1 3 1843 1 1 27 ASP H H -10.867 -0.606 0.755 1.00 . A A . 46 ASP H 1 1 3 1844 1 1 27 ASP HA H -10.287 -2.592 1.880 1.00 . A A . 46 ASP HA 1 1 3 1845 1 1 27 ASP HB2 H -7.807 -1.057 1.684 1.00 . A A . 46 ASP HB2 1 1 3 1846 1 1 27 ASP HB3 H -7.847 -2.118 3.090 1.00 . A A . 46 ASP HB3 1 1 3 1847 1 1 27 ASP N N -10.154 -0.532 1.422 1.00 . A A . 46 ASP N 1 1 3 1848 1 1 27 ASP O O -9.452 -1.946 4.599 1.00 . A A . 46 ASP O 1 1 3 1849 1 1 27 ASP OD1 O -8.937 -3.668 0.652 1.00 . A A . 46 ASP OD1 1 1 3 1850 1 1 27 ASP OD2 O -6.834 -3.526 1.098 1.00 . A A . 46 ASP OD2 1 1 3 1851 1 1 28 GLN C C -10.379 0.289 6.055 1.00 . A A . 47 GLN C 1 1 3 1852 1 1 28 GLN CA C -11.535 -0.412 5.341 1.00 . A A . 47 GLN CA 1 1 3 1853 1 1 28 GLN CB C -11.867 -1.721 6.048 1.00 . A A . 47 GLN CB 1 1 3 1854 1 1 28 GLN CD C -11.971 -1.746 8.543 1.00 . A A . 47 GLN CD 1 1 3 1855 1 1 28 GLN CG C -12.751 -1.441 7.263 1.00 . A A . 47 GLN CG 1 1 3 1856 1 1 28 GLN H H -11.648 -0.335 3.200 1.00 . A A . 47 GLN H 1 1 3 1857 1 1 28 GLN HA H -12.404 0.231 5.343 1.00 . A A . 47 GLN HA 1 1 3 1858 1 1 28 GLN HB2 H -12.390 -2.369 5.359 1.00 . A A . 47 GLN HB2 1 1 3 1859 1 1 28 GLN HB3 H -10.954 -2.199 6.368 1.00 . A A . 47 GLN HB3 1 1 3 1860 1 1 28 GLN HE21 H -12.342 0.025 9.361 1.00 . A A . 47 GLN HE21 1 1 3 1861 1 1 28 GLN HE22 H -11.402 -1.027 10.305 1.00 . A A . 47 GLN HE22 1 1 3 1862 1 1 28 GLN HG2 H -13.048 -0.402 7.260 1.00 . A A . 47 GLN HG2 1 1 3 1863 1 1 28 GLN HG3 H -13.630 -2.067 7.222 1.00 . A A . 47 GLN HG3 1 1 3 1864 1 1 28 GLN N N -11.138 -0.707 3.940 1.00 . A A . 47 GLN N 1 1 3 1865 1 1 28 GLN NE2 N -11.899 -0.840 9.481 1.00 . A A . 47 GLN NE2 1 1 3 1866 1 1 28 GLN O O -10.312 0.326 7.267 1.00 . A A . 47 GLN O 1 1 3 1867 1 1 28 GLN OE1 O -11.422 -2.820 8.692 1.00 . A A . 47 GLN OE1 1 1 3 1868 1 1 29 ARG C C -7.845 2.663 4.985 1.00 . A A . 48 ARG C 1 1 3 1869 1 1 29 ARG CA C -8.314 1.552 5.925 1.00 . A A . 48 ARG CA 1 1 3 1870 1 1 29 ARG CB C -7.170 0.560 6.152 1.00 . A A . 48 ARG CB 1 1 3 1871 1 1 29 ARG CD C -6.372 -1.318 7.593 1.00 . A A . 48 ARG CD 1 1 3 1872 1 1 29 ARG CG C -7.396 -0.188 7.467 1.00 . A A . 48 ARG CG 1 1 3 1873 1 1 29 ARG CZ C -5.422 -2.659 9.372 1.00 . A A . 48 ARG CZ 1 1 3 1874 1 1 29 ARG H H -9.548 0.804 4.330 1.00 . A A . 48 ARG H 1 1 3 1875 1 1 29 ARG HA H -8.615 1.980 6.869 1.00 . A A . 48 ARG HA 1 1 3 1876 1 1 29 ARG HB2 H -7.141 -0.146 5.335 1.00 . A A . 48 ARG HB2 1 1 3 1877 1 1 29 ARG HB3 H -6.235 1.095 6.201 1.00 . A A . 48 ARG HB3 1 1 3 1878 1 1 29 ARG HD2 H -6.741 -2.197 7.084 1.00 . A A . 48 ARG HD2 1 1 3 1879 1 1 29 ARG HD3 H -5.438 -1.009 7.146 1.00 . A A . 48 ARG HD3 1 1 3 1880 1 1 29 ARG HE H -6.561 -1.071 9.724 1.00 . A A . 48 ARG HE 1 1 3 1881 1 1 29 ARG HG2 H -7.281 0.496 8.295 1.00 . A A . 48 ARG HG2 1 1 3 1882 1 1 29 ARG HG3 H -8.391 -0.604 7.479 1.00 . A A . 48 ARG HG3 1 1 3 1883 1 1 29 ARG HH11 H -6.919 -3.617 10.295 1.00 . A A . 48 ARG HH11 1 1 3 1884 1 1 29 ARG HH12 H -5.391 -4.431 10.302 1.00 . A A . 48 ARG HH12 1 1 3 1885 1 1 29 ARG HH21 H -3.755 -1.942 8.529 1.00 . A A . 48 ARG HH21 1 1 3 1886 1 1 29 ARG HH22 H -3.599 -3.483 9.302 1.00 . A A . 48 ARG HH22 1 1 3 1887 1 1 29 ARG N N -9.470 0.846 5.305 1.00 . A A . 48 ARG N 1 1 3 1888 1 1 29 ARG NE N -6.154 -1.634 9.033 1.00 . A A . 48 ARG NE 1 1 3 1889 1 1 29 ARG NH1 N -5.952 -3.645 10.042 1.00 . A A . 48 ARG NH1 1 1 3 1890 1 1 29 ARG NH2 N -4.160 -2.697 9.042 1.00 . A A . 48 ARG NH2 1 1 3 1891 1 1 29 ARG O O -8.495 2.975 4.007 1.00 . A A . 48 ARG O 1 1 3 1892 1 1 30 SER C C -5.377 3.746 3.260 1.00 . A A . 49 SER C 1 1 3 1893 1 1 30 SER CA C -6.222 4.351 4.384 1.00 . A A . 49 SER CA 1 1 3 1894 1 1 30 SER CB C -5.360 5.319 5.197 1.00 . A A . 49 SER CB 1 1 3 1895 1 1 30 SER H H -6.210 2.999 6.060 1.00 . A A . 49 SER H 1 1 3 1896 1 1 30 SER HA H -7.061 4.884 3.957 1.00 . A A . 49 SER HA 1 1 3 1897 1 1 30 SER HB2 H -4.602 5.747 4.565 1.00 . A A . 49 SER HB2 1 1 3 1898 1 1 30 SER HB3 H -5.983 6.109 5.593 1.00 . A A . 49 SER HB3 1 1 3 1899 1 1 30 SER HG H -4.023 5.154 6.601 1.00 . A A . 49 SER HG 1 1 3 1900 1 1 30 SER N N -6.723 3.264 5.269 1.00 . A A . 49 SER N 1 1 3 1901 1 1 30 SER O O -4.567 2.868 3.483 1.00 . A A . 49 SER O 1 1 3 1902 1 1 30 SER OG O -4.737 4.610 6.261 1.00 . A A . 49 SER OG 1 1 3 1903 1 1 31 CYS C C -3.923 4.793 0.308 1.00 . A A . 50 CYS C 1 1 3 1904 1 1 31 CYS CA C -4.757 3.667 0.921 1.00 . A A . 50 CYS CA 1 1 3 1905 1 1 31 CYS CB C -5.697 3.087 -0.141 1.00 . A A . 50 CYS CB 1 1 3 1906 1 1 31 CYS H H -6.210 4.923 1.897 1.00 . A A . 50 CYS H 1 1 3 1907 1 1 31 CYS HA H -4.101 2.890 1.285 1.00 . A A . 50 CYS HA 1 1 3 1908 1 1 31 CYS HB2 H -5.193 3.071 -1.096 1.00 . A A . 50 CYS HB2 1 1 3 1909 1 1 31 CYS HB3 H -5.974 2.081 0.135 1.00 . A A . 50 CYS HB3 1 1 3 1910 1 1 31 CYS N N -5.555 4.212 2.056 1.00 . A A . 50 CYS N 1 1 3 1911 1 1 31 CYS O O -4.332 5.935 0.284 1.00 . A A . 50 CYS O 1 1 3 1912 1 1 31 CYS SG S -7.185 4.111 -0.263 1.00 . A A . 50 CYS SG 1 1 3 1913 1 1 32 ILE C C -1.905 5.401 -2.304 1.00 . A A . 51 ILE C 1 1 3 1914 1 1 32 ILE CA C -1.900 5.545 -0.782 1.00 . A A . 51 ILE CA 1 1 3 1915 1 1 32 ILE CB C -0.478 5.421 -0.228 1.00 . A A . 51 ILE CB 1 1 3 1916 1 1 32 ILE CD1 C 0.952 5.897 1.747 1.00 . A A . 51 ILE CD1 1 1 3 1917 1 1 32 ILE CG1 C -0.392 6.188 1.079 1.00 . A A . 51 ILE CG1 1 1 3 1918 1 1 32 ILE CG2 C 0.530 6.032 -1.193 1.00 . A A . 51 ILE CG2 1 1 3 1919 1 1 32 ILE H H -2.432 3.562 -0.149 1.00 . A A . 51 ILE H 1 1 3 1920 1 1 32 ILE HA H -2.303 6.512 -0.519 1.00 . A A . 51 ILE HA 1 1 3 1921 1 1 32 ILE HB H -0.240 4.382 -0.057 1.00 . A A . 51 ILE HB 1 1 3 1922 1 1 32 ILE HD11 H 1.429 5.067 1.247 1.00 . A A . 51 ILE HD11 1 1 3 1923 1 1 32 ILE HD12 H 1.585 6.770 1.676 1.00 . A A . 51 ILE HD12 1 1 3 1924 1 1 32 ILE HD13 H 0.794 5.650 2.785 1.00 . A A . 51 ILE HD13 1 1 3 1925 1 1 32 ILE HG12 H -0.472 7.244 0.862 1.00 . A A . 51 ILE HG12 1 1 3 1926 1 1 32 ILE HG13 H -1.197 5.888 1.732 1.00 . A A . 51 ILE HG13 1 1 3 1927 1 1 32 ILE HG21 H 0.394 5.606 -2.177 1.00 . A A . 51 ILE HG21 1 1 3 1928 1 1 32 ILE HG22 H 0.377 7.104 -1.232 1.00 . A A . 51 ILE HG22 1 1 3 1929 1 1 32 ILE HG23 H 1.529 5.821 -0.837 1.00 . A A . 51 ILE HG23 1 1 3 1930 1 1 32 ILE N N -2.752 4.485 -0.181 1.00 . A A . 51 ILE N 1 1 3 1931 1 1 32 ILE O O -1.680 4.336 -2.842 1.00 . A A . 51 ILE O 1 1 3 1932 1 1 33 ALA C C -1.097 5.554 -5.048 1.00 . A A . 52 ALA C 1 1 3 1933 1 1 33 ALA CA C -2.215 6.432 -4.481 1.00 . A A . 52 ALA CA 1 1 3 1934 1 1 33 ALA CB C -2.083 7.844 -5.028 1.00 . A A . 52 ALA CB 1 1 3 1935 1 1 33 ALA H H -2.348 7.316 -2.522 1.00 . A A . 52 ALA H 1 1 3 1936 1 1 33 ALA HA H -3.167 6.025 -4.782 1.00 . A A . 52 ALA HA 1 1 3 1937 1 1 33 ALA HB1 H -3.062 8.211 -5.285 1.00 . A A . 52 ALA HB1 1 1 3 1938 1 1 33 ALA HB2 H -1.457 7.834 -5.909 1.00 . A A . 52 ALA HB2 1 1 3 1939 1 1 33 ALA HB3 H -1.642 8.482 -4.277 1.00 . A A . 52 ALA HB3 1 1 3 1940 1 1 33 ALA N N -2.168 6.474 -2.991 1.00 . A A . 52 ALA N 1 1 3 1941 1 1 33 ALA O O -0.176 5.189 -4.363 1.00 . A A . 52 ALA O 1 1 3 1942 1 1 34 ARG C C 1.225 4.892 -6.829 1.00 . A A . 53 ARG C 1 1 3 1943 1 1 34 ARG CA C -0.175 4.308 -6.929 1.00 . A A . 53 ARG CA 1 1 3 1944 1 1 34 ARG CB C -0.518 4.129 -8.409 1.00 . A A . 53 ARG CB 1 1 3 1945 1 1 34 ARG CD C -0.506 2.402 -10.207 1.00 . A A . 53 ARG CD 1 1 3 1946 1 1 34 ARG CG C -0.750 2.656 -8.718 1.00 . A A . 53 ARG CG 1 1 3 1947 1 1 34 ARG CZ C 1.640 1.810 -11.161 1.00 . A A . 53 ARG CZ 1 1 3 1948 1 1 34 ARG H H -1.961 5.485 -6.831 1.00 . A A . 53 ARG H 1 1 3 1949 1 1 34 ARG HA H -0.189 3.348 -6.434 1.00 . A A . 53 ARG HA 1 1 3 1950 1 1 34 ARG HB2 H -1.413 4.684 -8.637 1.00 . A A . 53 ARG HB2 1 1 3 1951 1 1 34 ARG HB3 H 0.297 4.498 -9.014 1.00 . A A . 53 ARG HB3 1 1 3 1952 1 1 34 ARG HD2 H -0.721 1.368 -10.435 1.00 . A A . 53 ARG HD2 1 1 3 1953 1 1 34 ARG HD3 H -1.151 3.041 -10.792 1.00 . A A . 53 ARG HD3 1 1 3 1954 1 1 34 ARG HE H 1.310 3.559 -10.281 1.00 . A A . 53 ARG HE 1 1 3 1955 1 1 34 ARG HG2 H -0.072 2.056 -8.133 1.00 . A A . 53 ARG HG2 1 1 3 1956 1 1 34 ARG HG3 H -1.768 2.401 -8.474 1.00 . A A . 53 ARG HG3 1 1 3 1957 1 1 34 ARG HH11 H 1.182 2.498 -12.985 1.00 . A A . 53 ARG HH11 1 1 3 1958 1 1 34 ARG HH12 H 2.249 1.134 -12.944 1.00 . A A . 53 ARG HH12 1 1 3 1959 1 1 34 ARG HH21 H 2.267 0.913 -9.484 1.00 . A A . 53 ARG HH21 1 1 3 1960 1 1 34 ARG HH22 H 2.864 0.237 -10.962 1.00 . A A . 53 ARG HH22 1 1 3 1961 1 1 34 ARG N N -1.195 5.195 -6.302 1.00 . A A . 53 ARG N 1 1 3 1962 1 1 34 ARG NE N 0.917 2.698 -10.535 1.00 . A A . 53 ARG NE 1 1 3 1963 1 1 34 ARG NH1 N 1.695 1.814 -12.464 1.00 . A A . 53 ARG NH1 1 1 3 1964 1 1 34 ARG NH2 N 2.309 0.918 -10.483 1.00 . A A . 53 ARG NH2 1 1 3 1965 1 1 34 ARG O O 2.021 4.447 -6.049 1.00 . A A . 53 ARG O 1 1 3 1966 1 1 35 SER C C 3.226 6.855 -6.143 1.00 . A A . 54 SER C 1 1 3 1967 1 1 35 SER CA C 2.944 6.357 -7.559 1.00 . A A . 54 SER CA 1 1 3 1968 1 1 35 SER CB C 3.140 7.490 -8.566 1.00 . A A . 54 SER CB 1 1 3 1969 1 1 35 SER H H 0.952 6.186 -8.296 1.00 . A A . 54 SER H 1 1 3 1970 1 1 35 SER HA H 3.608 5.539 -7.790 1.00 . A A . 54 SER HA 1 1 3 1971 1 1 35 SER HB2 H 2.236 8.072 -8.637 1.00 . A A . 54 SER HB2 1 1 3 1972 1 1 35 SER HB3 H 3.950 8.126 -8.236 1.00 . A A . 54 SER HB3 1 1 3 1973 1 1 35 SER HG H 2.932 6.131 -9.943 1.00 . A A . 54 SER HG 1 1 3 1974 1 1 35 SER N N 1.568 5.843 -7.634 1.00 . A A . 54 SER N 1 1 3 1975 1 1 35 SER O O 4.232 6.517 -5.551 1.00 . A A . 54 SER O 1 1 3 1976 1 1 35 SER OG O 3.443 6.938 -9.840 1.00 . A A . 54 SER OG 1 1 3 1977 1 1 36 THR C C 2.903 6.899 -3.334 1.00 . A A . 55 THR C 1 1 3 1978 1 1 36 THR CA C 2.602 8.116 -4.193 1.00 . A A . 55 THR CA 1 1 3 1979 1 1 36 THR CB C 1.371 8.829 -3.644 1.00 . A A . 55 THR CB 1 1 3 1980 1 1 36 THR CG2 C 1.603 9.188 -2.173 1.00 . A A . 55 THR CG2 1 1 3 1981 1 1 36 THR H H 1.531 7.897 -6.055 1.00 . A A . 55 THR H 1 1 3 1982 1 1 36 THR HA H 3.439 8.786 -4.185 1.00 . A A . 55 THR HA 1 1 3 1983 1 1 36 THR HB H 0.523 8.177 -3.718 1.00 . A A . 55 THR HB 1 1 3 1984 1 1 36 THR HG1 H 1.256 9.803 -5.323 1.00 . A A . 55 THR HG1 1 1 3 1985 1 1 36 THR HG21 H 2.283 8.471 -1.724 1.00 . A A . 55 THR HG21 1 1 3 1986 1 1 36 THR HG22 H 2.030 10.178 -2.108 1.00 . A A . 55 THR HG22 1 1 3 1987 1 1 36 THR HG23 H 0.661 9.168 -1.646 1.00 . A A . 55 THR HG23 1 1 3 1988 1 1 36 THR N N 2.350 7.641 -5.579 1.00 . A A . 55 THR N 1 1 3 1989 1 1 36 THR O O 3.593 6.971 -2.348 1.00 . A A . 55 THR O 1 1 3 1990 1 1 36 THR OG1 O 1.133 10.012 -4.394 1.00 . A A . 55 THR OG1 1 1 3 1991 1 1 37 CYS C C 3.884 3.851 -3.366 1.00 . A A . 56 CYS C 1 1 3 1992 1 1 37 CYS CA C 2.578 4.515 -2.958 1.00 . A A . 56 CYS CA 1 1 3 1993 1 1 37 CYS CB C 1.438 3.531 -3.317 1.00 . A A . 56 CYS CB 1 1 3 1994 1 1 37 CYS H H 1.811 5.771 -4.521 1.00 . A A . 56 CYS H 1 1 3 1995 1 1 37 CYS HA H 2.589 4.712 -1.890 1.00 . A A . 56 CYS HA 1 1 3 1996 1 1 37 CYS HB2 H 0.502 3.905 -2.984 1.00 . A A . 56 CYS HB2 1 1 3 1997 1 1 37 CYS HB3 H 1.384 3.397 -4.381 1.00 . A A . 56 CYS HB3 1 1 3 1998 1 1 37 CYS N N 2.369 5.780 -3.720 1.00 . A A . 56 CYS N 1 1 3 1999 1 1 37 CYS O O 4.859 3.819 -2.642 1.00 . A A . 56 CYS O 1 1 3 2000 1 1 37 CYS SG S 1.737 1.937 -2.543 1.00 . A A . 56 CYS SG 1 1 3 2001 1 1 38 ALA C C 5.978 3.338 -5.787 1.00 . A A . 57 ALA C 1 1 3 2002 1 1 38 ALA CA C 4.961 2.472 -5.027 1.00 . A A . 57 ALA CA 1 1 3 2003 1 1 38 ALA CB C 4.294 1.459 -5.946 1.00 . A A . 57 ALA CB 1 1 3 2004 1 1 38 ALA H H 3.023 3.250 -5.003 1.00 . A A . 57 ALA H 1 1 3 2005 1 1 38 ALA HA H 5.452 1.960 -4.223 1.00 . A A . 57 ALA HA 1 1 3 2006 1 1 38 ALA HB1 H 3.723 1.997 -6.699 1.00 . A A . 57 ALA HB1 1 1 3 2007 1 1 38 ALA HB2 H 3.615 0.833 -5.343 1.00 . A A . 57 ALA HB2 1 1 3 2008 1 1 38 ALA HB3 H 5.034 0.842 -6.419 1.00 . A A . 57 ALA HB3 1 1 3 2009 1 1 38 ALA N N 3.843 3.248 -4.501 1.00 . A A . 57 ALA N 1 1 3 2010 1 1 38 ALA O O 7.154 3.034 -5.807 1.00 . A A . 57 ALA O 1 1 3 2011 1 1 39 ALA C C 7.482 5.948 -6.179 1.00 . A A . 58 ALA C 1 1 3 2012 1 1 39 ALA CA C 6.547 5.240 -7.166 1.00 . A A . 58 ALA CA 1 1 3 2013 1 1 39 ALA CB C 5.813 6.284 -8.009 1.00 . A A . 58 ALA CB 1 1 3 2014 1 1 39 ALA H H 4.611 4.641 -6.407 1.00 . A A . 58 ALA H 1 1 3 2015 1 1 39 ALA HA H 7.132 4.605 -7.815 1.00 . A A . 58 ALA HA 1 1 3 2016 1 1 39 ALA HB1 H 6.535 6.899 -8.526 1.00 . A A . 58 ALA HB1 1 1 3 2017 1 1 39 ALA HB2 H 5.208 6.905 -7.368 1.00 . A A . 58 ALA HB2 1 1 3 2018 1 1 39 ALA HB3 H 5.183 5.787 -8.731 1.00 . A A . 58 ALA HB3 1 1 3 2019 1 1 39 ALA N N 5.560 4.400 -6.418 1.00 . A A . 58 ALA N 1 1 3 2020 1 1 39 ALA O O 8.436 6.591 -6.569 1.00 . A A . 58 ALA O 1 1 3 2021 1 1 40 GLN C C 9.548 6.120 -4.098 1.00 . A A . 59 GLN C 1 1 3 2022 1 1 40 GLN CA C 8.082 6.515 -3.896 1.00 . A A . 59 GLN CA 1 1 3 2023 1 1 40 GLN CB C 7.642 6.087 -2.503 1.00 . A A . 59 GLN CB 1 1 3 2024 1 1 40 GLN CD C 6.642 7.437 -0.677 1.00 . A A . 59 GLN CD 1 1 3 2025 1 1 40 GLN CG C 6.424 6.899 -2.090 1.00 . A A . 59 GLN CG 1 1 3 2026 1 1 40 GLN H H 6.436 5.326 -4.610 1.00 . A A . 59 GLN H 1 1 3 2027 1 1 40 GLN HA H 7.980 7.585 -3.991 1.00 . A A . 59 GLN HA 1 1 3 2028 1 1 40 GLN HB2 H 7.392 5.036 -2.511 1.00 . A A . 59 GLN HB2 1 1 3 2029 1 1 40 GLN HB3 H 8.444 6.262 -1.804 1.00 . A A . 59 GLN HB3 1 1 3 2030 1 1 40 GLN HE21 H 6.685 5.631 0.145 1.00 . A A . 59 GLN HE21 1 1 3 2031 1 1 40 GLN HE22 H 6.883 6.922 1.226 1.00 . A A . 59 GLN HE22 1 1 3 2032 1 1 40 GLN HG2 H 6.290 7.723 -2.777 1.00 . A A . 59 GLN HG2 1 1 3 2033 1 1 40 GLN HG3 H 5.550 6.268 -2.106 1.00 . A A . 59 GLN HG3 1 1 3 2034 1 1 40 GLN N N 7.215 5.843 -4.907 1.00 . A A . 59 GLN N 1 1 3 2035 1 1 40 GLN NE2 N 6.746 6.594 0.314 1.00 . A A . 59 GLN NE2 1 1 3 2036 1 1 40 GLN O O 9.841 5.105 -4.696 1.00 . A A . 59 GLN O 1 1 3 2037 1 1 40 GLN OE1 O 6.717 8.632 -0.470 1.00 . A A . 59 GLN OE1 1 1 3 2038 1 1 41 PRO C C 12.335 5.739 -2.571 1.00 . A A . 60 PRO C 1 1 3 2039 1 1 41 PRO CA C 11.883 6.718 -3.662 1.00 . A A . 60 PRO CA 1 1 3 2040 1 1 41 PRO CB C 12.472 8.109 -3.414 1.00 . A A . 60 PRO CB 1 1 3 2041 1 1 41 PRO CD C 10.054 8.183 -2.857 1.00 . A A . 60 PRO CD 1 1 3 2042 1 1 41 PRO CG C 11.395 8.911 -2.641 1.00 . A A . 60 PRO CG 1 1 3 2043 1 1 41 PRO HA H 12.161 6.365 -4.641 1.00 . A A . 60 PRO HA 1 1 3 2044 1 1 41 PRO HB2 H 13.375 8.027 -2.822 1.00 . A A . 60 PRO HB2 1 1 3 2045 1 1 41 PRO HB3 H 12.685 8.595 -4.352 1.00 . A A . 60 PRO HB3 1 1 3 2046 1 1 41 PRO HD2 H 9.592 7.952 -1.903 1.00 . A A . 60 PRO HD2 1 1 3 2047 1 1 41 PRO HD3 H 9.392 8.780 -3.464 1.00 . A A . 60 PRO HD3 1 1 3 2048 1 1 41 PRO HG2 H 11.640 8.938 -1.589 1.00 . A A . 60 PRO HG2 1 1 3 2049 1 1 41 PRO HG3 H 11.331 9.915 -3.032 1.00 . A A . 60 PRO HG3 1 1 3 2050 1 1 41 PRO N N 10.428 6.943 -3.575 1.00 . A A . 60 PRO N 1 1 3 2051 1 1 41 PRO O O 11.533 5.208 -1.831 1.00 . A A . 60 PRO O 1 1 3 2052 1 1 42 ALA C C 14.430 5.343 -0.136 1.00 . A A . 61 ALA C 1 1 3 2053 1 1 42 ALA CA C 14.109 4.560 -1.414 1.00 . A A . 61 ALA CA 1 1 3 2054 1 1 42 ALA CB C 15.373 3.858 -1.914 1.00 . A A . 61 ALA CB 1 1 3 2055 1 1 42 ALA H H 14.248 5.939 -3.067 1.00 . A A . 61 ALA H 1 1 3 2056 1 1 42 ALA HA H 13.347 3.826 -1.201 1.00 . A A . 61 ALA HA 1 1 3 2057 1 1 42 ALA HB1 H 15.538 4.109 -2.951 1.00 . A A . 61 ALA HB1 1 1 3 2058 1 1 42 ALA HB2 H 15.254 2.789 -1.817 1.00 . A A . 61 ALA HB2 1 1 3 2059 1 1 42 ALA HB3 H 16.221 4.180 -1.326 1.00 . A A . 61 ALA HB3 1 1 3 2060 1 1 42 ALA N N 13.614 5.499 -2.463 1.00 . A A . 61 ALA N 1 1 3 2061 1 1 42 ALA O O 14.755 6.513 -0.194 1.00 . A A . 61 ALA O 1 1 3 2062 1 1 43 PRO C C 12.420 3.111 0.852 1.00 . A A . 62 PRO C 1 1 3 2063 1 1 43 PRO CA C 13.933 3.249 1.039 1.00 . A A . 62 PRO CA 1 1 3 2064 1 1 43 PRO CB C 14.354 2.816 2.445 1.00 . A A . 62 PRO CB 1 1 3 2065 1 1 43 PRO CD C 14.600 5.274 2.302 1.00 . A A . 62 PRO CD 1 1 3 2066 1 1 43 PRO CG C 14.438 4.106 3.293 1.00 . A A . 62 PRO CG 1 1 3 2067 1 1 43 PRO HA H 14.465 2.675 0.300 1.00 . A A . 62 PRO HA 1 1 3 2068 1 1 43 PRO HB2 H 13.617 2.141 2.860 1.00 . A A . 62 PRO HB2 1 1 3 2069 1 1 43 PRO HB3 H 15.320 2.338 2.414 1.00 . A A . 62 PRO HB3 1 1 3 2070 1 1 43 PRO HD2 H 13.883 6.055 2.518 1.00 . A A . 62 PRO HD2 1 1 3 2071 1 1 43 PRO HD3 H 15.606 5.661 2.334 1.00 . A A . 62 PRO HD3 1 1 3 2072 1 1 43 PRO HG2 H 13.530 4.229 3.870 1.00 . A A . 62 PRO HG2 1 1 3 2073 1 1 43 PRO HG3 H 15.292 4.065 3.951 1.00 . A A . 62 PRO HG3 1 1 3 2074 1 1 43 PRO N N 14.329 4.670 0.983 1.00 . A A . 62 PRO N 1 1 3 2075 1 1 43 PRO O O 11.882 2.022 0.844 1.00 . A A . 62 PRO O 1 1 3 2076 1 1 44 PHE C C 9.977 3.314 -0.753 1.00 . A A . 63 PHE C 1 1 3 2077 1 1 44 PHE CA C 10.259 4.146 0.486 1.00 . A A . 63 PHE CA 1 1 3 2078 1 1 44 PHE CB C 9.719 5.559 0.273 1.00 . A A . 63 PHE CB 1 1 3 2079 1 1 44 PHE CD1 C 10.653 6.101 2.522 1.00 . A A . 63 PHE CD1 1 1 3 2080 1 1 44 PHE CD2 C 10.873 7.746 0.763 1.00 . A A . 63 PHE CD2 1 1 3 2081 1 1 44 PHE CE1 C 11.311 6.953 3.407 1.00 . A A . 63 PHE CE1 1 1 3 2082 1 1 44 PHE CE2 C 11.538 8.604 1.649 1.00 . A A . 63 PHE CE2 1 1 3 2083 1 1 44 PHE CG C 10.432 6.495 1.207 1.00 . A A . 63 PHE CG 1 1 3 2084 1 1 44 PHE CZ C 11.754 8.209 2.974 1.00 . A A . 63 PHE CZ 1 1 3 2085 1 1 44 PHE H H 12.194 5.074 0.685 1.00 . A A . 63 PHE H 1 1 3 2086 1 1 44 PHE HA H 9.788 3.698 1.348 1.00 . A A . 63 PHE HA 1 1 3 2087 1 1 44 PHE HB2 H 9.894 5.864 -0.746 1.00 . A A . 63 PHE HB2 1 1 3 2088 1 1 44 PHE HB3 H 8.663 5.577 0.483 1.00 . A A . 63 PHE HB3 1 1 3 2089 1 1 44 PHE HD1 H 10.313 5.134 2.858 1.00 . A A . 63 PHE HD1 1 1 3 2090 1 1 44 PHE HD2 H 10.700 8.050 -0.258 1.00 . A A . 63 PHE HD2 1 1 3 2091 1 1 44 PHE HE1 H 11.456 6.644 4.428 1.00 . A A . 63 PHE HE1 1 1 3 2092 1 1 44 PHE HE2 H 11.879 9.571 1.310 1.00 . A A . 63 PHE HE2 1 1 3 2093 1 1 44 PHE HZ H 12.265 8.867 3.660 1.00 . A A . 63 PHE HZ 1 1 3 2094 1 1 44 PHE N N 11.735 4.208 0.687 1.00 . A A . 63 PHE N 1 1 3 2095 1 1 44 PHE O O 10.879 2.995 -1.501 1.00 . A A . 63 PHE O 1 1 3 2096 1 1 45 GLY C C 7.266 1.293 -2.129 1.00 . A A . 64 GLY C 1 1 3 2097 1 1 45 GLY CA C 8.511 2.163 -2.242 1.00 . A A . 64 GLY CA 1 1 3 2098 1 1 45 GLY H H 7.999 3.230 -0.409 1.00 . A A . 64 GLY H 1 1 3 2099 1 1 45 GLY HA2 H 9.367 1.530 -2.419 1.00 . A A . 64 GLY HA2 1 1 3 2100 1 1 45 GLY HA3 H 8.393 2.837 -3.077 1.00 . A A . 64 GLY HA3 1 1 3 2101 1 1 45 GLY N N 8.748 2.962 -1.008 1.00 . A A . 64 GLY N 1 1 3 2102 1 1 45 GLY O O 6.161 1.783 -2.004 1.00 . A A . 64 GLY O 1 1 3 2103 1 1 46 ILE C C 6.425 -2.035 -1.207 1.00 . A A . 65 ILE C 1 1 3 2104 1 1 46 ILE CA C 6.251 -0.895 -2.202 1.00 . A A . 65 ILE CA 1 1 3 2105 1 1 46 ILE CB C 6.085 -1.494 -3.587 1.00 . A A . 65 ILE CB 1 1 3 2106 1 1 46 ILE CD1 C 6.923 0.332 -5.045 1.00 . A A . 65 ILE CD1 1 1 3 2107 1 1 46 ILE CG1 C 5.668 -0.399 -4.552 1.00 . A A . 65 ILE CG1 1 1 3 2108 1 1 46 ILE CG2 C 5.019 -2.585 -3.564 1.00 . A A . 65 ILE CG2 1 1 3 2109 1 1 46 ILE H H 8.322 -0.375 -2.389 1.00 . A A . 65 ILE H 1 1 3 2110 1 1 46 ILE HA H 5.375 -0.325 -1.953 1.00 . A A . 65 ILE HA 1 1 3 2111 1 1 46 ILE HB H 7.029 -1.914 -3.905 1.00 . A A . 65 ILE HB 1 1 3 2112 1 1 46 ILE HD11 H 7.777 -0.323 -4.950 1.00 . A A . 65 ILE HD11 1 1 3 2113 1 1 46 ILE HD12 H 6.801 0.609 -6.080 1.00 . A A . 65 ILE HD12 1 1 3 2114 1 1 46 ILE HD13 H 7.086 1.217 -4.452 1.00 . A A . 65 ILE HD13 1 1 3 2115 1 1 46 ILE HG12 H 5.147 -0.838 -5.392 1.00 . A A . 65 ILE HG12 1 1 3 2116 1 1 46 ILE HG13 H 5.007 0.300 -4.046 1.00 . A A . 65 ILE HG13 1 1 3 2117 1 1 46 ILE HG21 H 4.116 -2.184 -3.140 1.00 . A A . 65 ILE HG21 1 1 3 2118 1 1 46 ILE HG22 H 4.825 -2.923 -4.571 1.00 . A A . 65 ILE HG22 1 1 3 2119 1 1 46 ILE HG23 H 5.364 -3.415 -2.964 1.00 . A A . 65 ILE HG23 1 1 3 2120 1 1 46 ILE N N 7.431 0.000 -2.236 1.00 . A A . 65 ILE N 1 1 3 2121 1 1 46 ILE O O 7.518 -2.383 -0.809 1.00 . A A . 65 ILE O 1 1 3 2122 1 1 47 VAL C C 4.406 -4.851 -0.439 1.00 . A A . 66 VAL C 1 1 3 2123 1 1 47 VAL CA C 5.365 -3.784 0.096 1.00 . A A . 66 VAL CA 1 1 3 2124 1 1 47 VAL CB C 4.918 -3.357 1.499 1.00 . A A . 66 VAL CB 1 1 3 2125 1 1 47 VAL CG1 C 5.567 -4.280 2.529 1.00 . A A . 66 VAL CG1 1 1 3 2126 1 1 47 VAL CG2 C 5.344 -1.911 1.786 1.00 . A A . 66 VAL CG2 1 1 3 2127 1 1 47 VAL H H 4.468 -2.334 -1.202 1.00 . A A . 66 VAL H 1 1 3 2128 1 1 47 VAL HA H 6.368 -4.186 0.137 1.00 . A A . 66 VAL HA 1 1 3 2129 1 1 47 VAL HB H 3.843 -3.439 1.572 1.00 . A A . 66 VAL HB 1 1 3 2130 1 1 47 VAL HG11 H 6.113 -5.060 2.019 1.00 . A A . 66 VAL HG11 1 1 3 2131 1 1 47 VAL HG12 H 6.246 -3.712 3.145 1.00 . A A . 66 VAL HG12 1 1 3 2132 1 1 47 VAL HG13 H 4.801 -4.723 3.149 1.00 . A A . 66 VAL HG13 1 1 3 2133 1 1 47 VAL HG21 H 5.649 -1.426 0.876 1.00 . A A . 66 VAL HG21 1 1 3 2134 1 1 47 VAL HG22 H 4.512 -1.373 2.213 1.00 . A A . 66 VAL HG22 1 1 3 2135 1 1 47 VAL HG23 H 6.167 -1.912 2.484 1.00 . A A . 66 VAL HG23 1 1 3 2136 1 1 47 VAL N N 5.328 -2.635 -0.838 1.00 . A A . 66 VAL N 1 1 3 2137 1 1 47 VAL O O 3.658 -4.607 -1.372 1.00 . A A . 66 VAL O 1 1 3 2138 1 1 48 GLY C C 4.322 -8.325 -0.745 1.00 . A A . 67 GLY C 1 1 3 2139 1 1 48 GLY CA C 3.503 -7.094 -0.354 1.00 . A A . 67 GLY CA 1 1 3 2140 1 1 48 GLY H H 5.026 -6.199 0.880 1.00 . A A . 67 GLY H 1 1 3 2141 1 1 48 GLY HA2 H 2.959 -6.738 -1.218 1.00 . A A . 67 GLY HA2 1 1 3 2142 1 1 48 GLY HA3 H 2.806 -7.356 0.430 1.00 . A A . 67 GLY HA3 1 1 3 2143 1 1 48 GLY N N 4.417 -6.022 0.132 1.00 . A A . 67 GLY N 1 1 3 2144 1 1 48 GLY O O 4.613 -9.175 0.073 1.00 . A A . 67 GLY O 1 1 3 2145 1 1 49 SER C C 6.797 -9.121 -3.080 1.00 . A A . 68 SER C 1 1 3 2146 1 1 49 SER CA C 5.497 -9.604 -2.433 1.00 . A A . 68 SER CA 1 1 3 2147 1 1 49 SER CB C 4.693 -10.416 -3.450 1.00 . A A . 68 SER CB 1 1 3 2148 1 1 49 SER H H 4.452 -7.732 -2.636 1.00 . A A . 68 SER H 1 1 3 2149 1 1 49 SER HA H 5.729 -10.224 -1.581 1.00 . A A . 68 SER HA 1 1 3 2150 1 1 49 SER HB2 H 5.207 -11.338 -3.666 1.00 . A A . 68 SER HB2 1 1 3 2151 1 1 49 SER HB3 H 3.716 -10.638 -3.040 1.00 . A A . 68 SER HB3 1 1 3 2152 1 1 49 SER HG H 4.064 -8.867 -4.446 1.00 . A A . 68 SER HG 1 1 3 2153 1 1 49 SER N N 4.696 -8.428 -1.991 1.00 . A A . 68 SER N 1 1 3 2154 1 1 49 SER O O 7.313 -8.072 -2.750 1.00 . A A . 68 SER O 1 1 3 2155 1 1 49 SER OG O 4.558 -9.665 -4.649 1.00 . A A . 68 SER OG 1 1 3 2156 1 1 50 GLY C C 9.681 -10.506 -4.408 1.00 . A A . 69 GLY C 1 1 3 2157 1 1 50 GLY CA C 8.596 -9.459 -4.666 1.00 . A A . 69 GLY CA 1 1 3 2158 1 1 50 GLY H H 6.898 -10.720 -4.253 1.00 . A A . 69 GLY H 1 1 3 2159 1 1 50 GLY HA2 H 8.917 -8.509 -4.266 1.00 . A A . 69 GLY HA2 1 1 3 2160 1 1 50 GLY HA3 H 8.429 -9.365 -5.730 1.00 . A A . 69 GLY HA3 1 1 3 2161 1 1 50 GLY N N 7.330 -9.877 -4.000 1.00 . A A . 69 GLY N 1 1 3 2162 1 1 50 GLY O O 9.340 -11.675 -4.322 1.00 . A A . 69 GLY O 1 1 3 2163 1 1 50 GLY OXT O 10.834 -10.124 -4.302 1.00 . A A . 69 GLY OXT 1 1 4 2164 1 1 1 MET C C -3.160 -10.846 -5.341 1.00 . A A . 20 MET C 1 1 4 2165 1 1 1 MET CA C -4.020 -11.627 -6.336 1.00 . A A . 20 MET CA 1 1 4 2166 1 1 1 MET CB C -5.282 -12.133 -5.632 1.00 . A A . 20 MET CB 1 1 4 2167 1 1 1 MET CE C -7.617 -14.549 -4.755 1.00 . A A . 20 MET CE 1 1 4 2168 1 1 1 MET CG C -5.873 -13.302 -6.421 1.00 . A A . 20 MET CG 1 1 4 2169 1 1 1 MET H1 H -2.361 -12.448 -7.289 1.00 . A A . 20 MET H1 1 1 4 2170 1 1 1 MET H2 H -3.023 -13.438 -6.082 1.00 . A A . 20 MET H2 1 1 4 2171 1 1 1 MET H3 H -3.811 -13.285 -7.580 1.00 . A A . 20 MET H3 1 1 4 2172 1 1 1 MET HA H -4.301 -10.981 -7.155 1.00 . A A . 20 MET HA 1 1 4 2173 1 1 1 MET HB2 H -5.028 -12.463 -4.634 1.00 . A A . 20 MET HB2 1 1 4 2174 1 1 1 MET HB3 H -6.007 -11.336 -5.575 1.00 . A A . 20 MET HB3 1 1 4 2175 1 1 1 MET HE1 H -7.158 -15.471 -5.075 1.00 . A A . 20 MET HE1 1 1 4 2176 1 1 1 MET HE2 H -7.042 -14.126 -3.942 1.00 . A A . 20 MET HE2 1 1 4 2177 1 1 1 MET HE3 H -8.626 -14.749 -4.422 1.00 . A A . 20 MET HE3 1 1 4 2178 1 1 1 MET HG2 H -5.684 -13.158 -7.475 1.00 . A A . 20 MET HG2 1 1 4 2179 1 1 1 MET HG3 H -5.416 -14.225 -6.096 1.00 . A A . 20 MET HG3 1 1 4 2180 1 1 1 MET N N -3.245 -12.786 -6.861 1.00 . A A . 20 MET N 1 1 4 2181 1 1 1 MET O O -3.054 -11.202 -4.184 1.00 . A A . 20 MET O 1 1 4 2182 1 1 1 MET SD S -7.659 -13.380 -6.135 1.00 . A A . 20 MET SD 1 1 4 2183 1 1 2 GLY C C -1.460 -7.592 -5.453 1.00 . A A . 21 GLY C 1 1 4 2184 1 1 2 GLY CA C -1.691 -8.982 -4.859 1.00 . A A . 21 GLY CA 1 1 4 2185 1 1 2 GLY H H -2.641 -9.513 -6.718 1.00 . A A . 21 GLY H 1 1 4 2186 1 1 2 GLY HA2 H -0.739 -9.475 -4.728 1.00 . A A . 21 GLY HA2 1 1 4 2187 1 1 2 GLY HA3 H -2.184 -8.890 -3.902 1.00 . A A . 21 GLY HA3 1 1 4 2188 1 1 2 GLY N N -2.543 -9.784 -5.781 1.00 . A A . 21 GLY N 1 1 4 2189 1 1 2 GLY O O -0.723 -7.427 -6.404 1.00 . A A . 21 GLY O 1 1 4 2190 1 1 3 ASN C C -0.576 -4.641 -4.923 1.00 . A A . 22 ASN C 1 1 4 2191 1 1 3 ASN CA C -1.902 -5.210 -5.433 1.00 . A A . 22 ASN CA 1 1 4 2192 1 1 3 ASN CB C -3.054 -4.321 -4.960 1.00 . A A . 22 ASN CB 1 1 4 2193 1 1 3 ASN CG C -4.383 -5.042 -5.191 1.00 . A A . 22 ASN CG 1 1 4 2194 1 1 3 ASN H H -2.677 -6.743 -4.133 1.00 . A A . 22 ASN H 1 1 4 2195 1 1 3 ASN HA H -1.890 -5.240 -6.512 1.00 . A A . 22 ASN HA 1 1 4 2196 1 1 3 ASN HB2 H -2.936 -4.110 -3.906 1.00 . A A . 22 ASN HB2 1 1 4 2197 1 1 3 ASN HB3 H -3.047 -3.396 -5.516 1.00 . A A . 22 ASN HB3 1 1 4 2198 1 1 3 ASN HD21 H -5.273 -4.202 -3.627 1.00 . A A . 22 ASN HD21 1 1 4 2199 1 1 3 ASN HD22 H -6.236 -5.280 -4.517 1.00 . A A . 22 ASN HD22 1 1 4 2200 1 1 3 ASN N N -2.087 -6.589 -4.899 1.00 . A A . 22 ASN N 1 1 4 2201 1 1 3 ASN ND2 N -5.380 -4.823 -4.378 1.00 . A A . 22 ASN ND2 1 1 4 2202 1 1 3 ASN O O 0.056 -5.202 -4.050 1.00 . A A . 22 ASN O 1 1 4 2203 1 1 3 ASN OD1 O -4.516 -5.813 -6.121 1.00 . A A . 22 ASN OD1 1 1 4 2204 1 1 4 GLN C C 0.967 -2.361 -3.602 1.00 . A A . 23 GLN C 1 1 4 2205 1 1 4 GLN CA C 1.136 -2.932 -5.006 1.00 . A A . 23 GLN CA 1 1 4 2206 1 1 4 GLN CB C 1.537 -1.801 -5.945 1.00 . A A . 23 GLN CB 1 1 4 2207 1 1 4 GLN CD C 1.795 -1.173 -8.350 1.00 . A A . 23 GLN CD 1 1 4 2208 1 1 4 GLN CG C 1.697 -2.341 -7.367 1.00 . A A . 23 GLN CG 1 1 4 2209 1 1 4 GLN H H -0.672 -3.095 -6.166 1.00 . A A . 23 GLN H 1 1 4 2210 1 1 4 GLN HA H 1.908 -3.688 -4.999 1.00 . A A . 23 GLN HA 1 1 4 2211 1 1 4 GLN HB2 H 0.776 -1.040 -5.928 1.00 . A A . 23 GLN HB2 1 1 4 2212 1 1 4 GLN HB3 H 2.470 -1.378 -5.614 1.00 . A A . 23 GLN HB3 1 1 4 2213 1 1 4 GLN HE21 H 3.230 -2.019 -9.431 1.00 . A A . 23 GLN HE21 1 1 4 2214 1 1 4 GLN HE22 H 2.725 -0.489 -9.965 1.00 . A A . 23 GLN HE22 1 1 4 2215 1 1 4 GLN HG2 H 2.596 -2.939 -7.426 1.00 . A A . 23 GLN HG2 1 1 4 2216 1 1 4 GLN HG3 H 0.842 -2.950 -7.619 1.00 . A A . 23 GLN HG3 1 1 4 2217 1 1 4 GLN N N -0.149 -3.532 -5.461 1.00 . A A . 23 GLN N 1 1 4 2218 1 1 4 GLN NE2 N 2.655 -1.232 -9.331 1.00 . A A . 23 GLN NE2 1 1 4 2219 1 1 4 GLN O O -0.135 -2.059 -3.164 1.00 . A A . 23 GLN O 1 1 4 2220 1 1 4 GLN OE1 O 1.082 -0.198 -8.226 1.00 . A A . 23 GLN OE1 1 1 4 2221 1 1 5 GLN C C 2.751 -0.407 -1.327 1.00 . A A . 24 GLN C 1 1 4 2222 1 1 5 GLN CA C 1.909 -1.649 -1.517 1.00 . A A . 24 GLN CA 1 1 4 2223 1 1 5 GLN CB C 2.275 -2.702 -0.473 1.00 . A A . 24 GLN CB 1 1 4 2224 1 1 5 GLN CD C 1.340 -4.569 0.899 1.00 . A A . 24 GLN CD 1 1 4 2225 1 1 5 GLN CG C 0.997 -3.297 0.121 1.00 . A A . 24 GLN CG 1 1 4 2226 1 1 5 GLN H H 2.923 -2.442 -3.246 1.00 . A A . 24 GLN H 1 1 4 2227 1 1 5 GLN HA H 0.895 -1.358 -1.390 1.00 . A A . 24 GLN HA 1 1 4 2228 1 1 5 GLN HB2 H 2.855 -3.484 -0.936 1.00 . A A . 24 GLN HB2 1 1 4 2229 1 1 5 GLN HB3 H 2.853 -2.242 0.314 1.00 . A A . 24 GLN HB3 1 1 4 2230 1 1 5 GLN HE21 H -0.160 -4.357 2.183 1.00 . A A . 24 GLN HE21 1 1 4 2231 1 1 5 GLN HE22 H 0.815 -5.724 2.426 1.00 . A A . 24 GLN HE22 1 1 4 2232 1 1 5 GLN HG2 H 0.541 -2.578 0.786 1.00 . A A . 24 GLN HG2 1 1 4 2233 1 1 5 GLN HG3 H 0.309 -3.539 -0.675 1.00 . A A . 24 GLN HG3 1 1 4 2234 1 1 5 GLN N N 2.045 -2.202 -2.885 1.00 . A A . 24 GLN N 1 1 4 2235 1 1 5 GLN NE2 N 0.603 -4.912 1.921 1.00 . A A . 24 GLN NE2 1 1 4 2236 1 1 5 GLN O O 3.477 0.019 -2.195 1.00 . A A . 24 GLN O 1 1 4 2237 1 1 5 GLN OE1 O 2.286 -5.258 0.574 1.00 . A A . 24 GLN OE1 1 1 4 2238 1 1 6 CYS C C 4.225 1.399 1.236 1.00 . A A . 25 CYS C 1 1 4 2239 1 1 6 CYS CA C 3.287 1.491 0.046 1.00 . A A . 25 CYS CA 1 1 4 2240 1 1 6 CYS CB C 2.225 2.538 0.380 1.00 . A A . 25 CYS CB 1 1 4 2241 1 1 6 CYS H H 1.950 -0.100 0.451 1.00 . A A . 25 CYS H 1 1 4 2242 1 1 6 CYS HA H 3.831 1.791 -0.837 1.00 . A A . 25 CYS HA 1 1 4 2243 1 1 6 CYS HB2 H 1.886 2.377 1.396 1.00 . A A . 25 CYS HB2 1 1 4 2244 1 1 6 CYS HB3 H 2.638 3.534 0.276 1.00 . A A . 25 CYS HB3 1 1 4 2245 1 1 6 CYS N N 2.586 0.227 -0.204 1.00 . A A . 25 CYS N 1 1 4 2246 1 1 6 CYS O O 3.877 1.829 2.313 1.00 . A A . 25 CYS O 1 1 4 2247 1 1 6 CYS SG S 0.832 2.342 -0.742 1.00 . A A . 25 CYS SG 1 1 4 2248 1 1 7 ASN C C 6.481 2.401 2.558 1.00 . A A . 26 ASN C 1 1 4 2249 1 1 7 ASN CA C 6.364 0.929 2.202 1.00 . A A . 26 ASN CA 1 1 4 2250 1 1 7 ASN CB C 7.728 0.374 1.778 1.00 . A A . 26 ASN CB 1 1 4 2251 1 1 7 ASN CG C 8.671 0.368 2.983 1.00 . A A . 26 ASN CG 1 1 4 2252 1 1 7 ASN H H 5.715 0.631 0.180 1.00 . A A . 26 ASN H 1 1 4 2253 1 1 7 ASN HA H 5.956 0.367 3.030 1.00 . A A . 26 ASN HA 1 1 4 2254 1 1 7 ASN HB2 H 7.606 -0.640 1.411 1.00 . A A . 26 ASN HB2 1 1 4 2255 1 1 7 ASN HB3 H 8.145 1.001 0.998 1.00 . A A . 26 ASN HB3 1 1 4 2256 1 1 7 ASN HD21 H 9.208 2.266 2.750 1.00 . A A . 26 ASN HD21 1 1 4 2257 1 1 7 ASN HD22 H 9.929 1.463 4.060 1.00 . A A . 26 ASN HD22 1 1 4 2258 1 1 7 ASN N N 5.424 0.922 1.058 1.00 . A A . 26 ASN N 1 1 4 2259 1 1 7 ASN ND2 N 9.324 1.456 3.290 1.00 . A A . 26 ASN ND2 1 1 4 2260 1 1 7 ASN O O 7.215 3.144 1.936 1.00 . A A . 26 ASN O 1 1 4 2261 1 1 7 ASN OD1 O 8.814 -0.636 3.652 1.00 . A A . 26 ASN OD1 1 1 4 2262 1 1 8 TRP C C 6.801 4.641 4.751 1.00 . A A . 27 TRP C 1 1 4 2263 1 1 8 TRP CA C 5.667 4.292 3.798 1.00 . A A . 27 TRP CA 1 1 4 2264 1 1 8 TRP CB C 4.334 4.624 4.470 1.00 . A A . 27 TRP CB 1 1 4 2265 1 1 8 TRP CD1 C 3.491 6.916 4.990 1.00 . A A . 27 TRP CD1 1 1 4 2266 1 1 8 TRP CD2 C 3.900 6.618 2.806 1.00 . A A . 27 TRP CD2 1 1 4 2267 1 1 8 TRP CE2 C 3.445 7.948 2.953 1.00 . A A . 27 TRP CE2 1 1 4 2268 1 1 8 TRP CE3 C 4.230 6.163 1.517 1.00 . A A . 27 TRP CE3 1 1 4 2269 1 1 8 TRP CG C 3.928 5.998 4.114 1.00 . A A . 27 TRP CG 1 1 4 2270 1 1 8 TRP CH2 C 3.656 8.332 0.588 1.00 . A A . 27 TRP CH2 1 1 4 2271 1 1 8 TRP CZ2 C 3.322 8.800 1.859 1.00 . A A . 27 TRP CZ2 1 1 4 2272 1 1 8 TRP CZ3 C 4.107 7.014 0.424 1.00 . A A . 27 TRP CZ3 1 1 4 2273 1 1 8 TRP H H 5.048 2.249 3.915 1.00 . A A . 27 TRP H 1 1 4 2274 1 1 8 TRP HA H 5.771 4.854 2.874 1.00 . A A . 27 TRP HA 1 1 4 2275 1 1 8 TRP HB2 H 3.573 3.935 4.140 1.00 . A A . 27 TRP HB2 1 1 4 2276 1 1 8 TRP HB3 H 4.450 4.552 5.547 1.00 . A A . 27 TRP HB3 1 1 4 2277 1 1 8 TRP HD1 H 3.386 6.758 6.048 1.00 . A A . 27 TRP HD1 1 1 4 2278 1 1 8 TRP HE1 H 2.879 8.913 4.714 1.00 . A A . 27 TRP HE1 1 1 4 2279 1 1 8 TRP HE3 H 4.571 5.146 1.359 1.00 . A A . 27 TRP HE3 1 1 4 2280 1 1 8 TRP HH2 H 3.566 8.983 -0.268 1.00 . A A . 27 TRP HH2 1 1 4 2281 1 1 8 TRP HZ2 H 2.974 9.814 1.993 1.00 . A A . 27 TRP HZ2 1 1 4 2282 1 1 8 TRP HZ3 H 4.368 6.650 -0.545 1.00 . A A . 27 TRP HZ3 1 1 4 2283 1 1 8 TRP N N 5.684 2.850 3.480 1.00 . A A . 27 TRP N 1 1 4 2284 1 1 8 TRP NE1 N 3.208 8.084 4.307 1.00 . A A . 27 TRP NE1 1 1 4 2285 1 1 8 TRP O O 6.674 4.486 5.947 1.00 . A A . 27 TRP O 1 1 4 2286 1 1 9 TYR C C 9.158 4.534 6.301 1.00 . A A . 28 TYR C 1 1 4 2287 1 1 9 TYR CA C 9.043 5.496 5.111 1.00 . A A . 28 TYR CA 1 1 4 2288 1 1 9 TYR CB C 8.869 6.921 5.634 1.00 . A A . 28 TYR CB 1 1 4 2289 1 1 9 TYR CD1 C 9.208 8.411 3.631 1.00 . A A . 28 TYR CD1 1 1 4 2290 1 1 9 TYR CD2 C 6.955 8.077 4.452 1.00 . A A . 28 TYR CD2 1 1 4 2291 1 1 9 TYR CE1 C 8.721 9.255 2.624 1.00 . A A . 28 TYR CE1 1 1 4 2292 1 1 9 TYR CE2 C 6.467 8.920 3.444 1.00 . A A . 28 TYR CE2 1 1 4 2293 1 1 9 TYR CG C 8.329 7.823 4.544 1.00 . A A . 28 TYR CG 1 1 4 2294 1 1 9 TYR CZ C 7.350 9.509 2.534 1.00 . A A . 28 TYR CZ 1 1 4 2295 1 1 9 TYR H H 7.958 5.262 3.255 1.00 . A A . 28 TYR H 1 1 4 2296 1 1 9 TYR HA H 9.941 5.438 4.541 1.00 . A A . 28 TYR HA 1 1 4 2297 1 1 9 TYR HB2 H 8.180 6.906 6.462 1.00 . A A . 28 TYR HB2 1 1 4 2298 1 1 9 TYR HB3 H 9.830 7.299 5.967 1.00 . A A . 28 TYR HB3 1 1 4 2299 1 1 9 TYR HD1 H 10.262 8.222 3.708 1.00 . A A . 28 TYR HD1 1 1 4 2300 1 1 9 TYR HD2 H 6.273 7.621 5.155 1.00 . A A . 28 TYR HD2 1 1 4 2301 1 1 9 TYR HE1 H 9.402 9.703 1.911 1.00 . A A . 28 TYR HE1 1 1 4 2302 1 1 9 TYR HE2 H 5.408 9.118 3.370 1.00 . A A . 28 TYR HE2 1 1 4 2303 1 1 9 TYR HH H 7.603 10.578 0.974 1.00 . A A . 28 TYR HH 1 1 4 2304 1 1 9 TYR N N 7.894 5.127 4.233 1.00 . A A . 28 TYR N 1 1 4 2305 1 1 9 TYR O O 9.621 4.904 7.361 1.00 . A A . 28 TYR O 1 1 4 2306 1 1 9 TYR OH O 6.871 10.347 1.551 1.00 . A A . 28 TYR OH 1 1 4 2307 1 1 10 GLY C C 7.460 1.833 7.671 1.00 . A A . 29 GLY C 1 1 4 2308 1 1 10 GLY CA C 8.852 2.334 7.268 1.00 . A A . 29 GLY CA 1 1 4 2309 1 1 10 GLY H H 8.384 3.020 5.277 1.00 . A A . 29 GLY H 1 1 4 2310 1 1 10 GLY HA2 H 9.312 2.819 8.116 1.00 . A A . 29 GLY HA2 1 1 4 2311 1 1 10 GLY HA3 H 9.461 1.495 6.963 1.00 . A A . 29 GLY HA3 1 1 4 2312 1 1 10 GLY N N 8.750 3.304 6.139 1.00 . A A . 29 GLY N 1 1 4 2313 1 1 10 GLY O O 7.274 1.305 8.750 1.00 . A A . 29 GLY O 1 1 4 2314 1 1 11 THR C C 4.546 0.727 5.972 1.00 . A A . 30 THR C 1 1 4 2315 1 1 11 THR CA C 5.114 1.500 7.165 1.00 . A A . 30 THR CA 1 1 4 2316 1 1 11 THR CB C 4.210 2.697 7.489 1.00 . A A . 30 THR CB 1 1 4 2317 1 1 11 THR CG2 C 3.038 2.236 8.357 1.00 . A A . 30 THR CG2 1 1 4 2318 1 1 11 THR H H 6.649 2.403 5.950 1.00 . A A . 30 THR H 1 1 4 2319 1 1 11 THR HA H 5.169 0.846 8.023 1.00 . A A . 30 THR HA 1 1 4 2320 1 1 11 THR HB H 3.829 3.120 6.572 1.00 . A A . 30 THR HB 1 1 4 2321 1 1 11 THR HG1 H 5.767 3.845 7.708 1.00 . A A . 30 THR HG1 1 1 4 2322 1 1 11 THR HG21 H 3.231 1.241 8.726 1.00 . A A . 30 THR HG21 1 1 4 2323 1 1 11 THR HG22 H 2.923 2.913 9.192 1.00 . A A . 30 THR HG22 1 1 4 2324 1 1 11 THR HG23 H 2.132 2.235 7.770 1.00 . A A . 30 THR HG23 1 1 4 2325 1 1 11 THR N N 6.483 1.981 6.819 1.00 . A A . 30 THR N 1 1 4 2326 1 1 11 THR O O 5.227 0.500 4.994 1.00 . A A . 30 THR O 1 1 4 2327 1 1 11 THR OG1 O 4.957 3.680 8.194 1.00 . A A . 30 THR OG1 1 1 4 2328 1 1 12 LEU C C 1.275 -0.055 4.689 1.00 . A A . 31 LEU C 1 1 4 2329 1 1 12 LEU CA C 2.732 -0.466 4.913 1.00 . A A . 31 LEU CA 1 1 4 2330 1 1 12 LEU CB C 2.786 -1.950 5.253 1.00 . A A . 31 LEU CB 1 1 4 2331 1 1 12 LEU CD1 C 3.549 -2.413 2.919 1.00 . A A . 31 LEU CD1 1 1 4 2332 1 1 12 LEU CD2 C 5.229 -2.056 4.733 1.00 . A A . 31 LEU CD2 1 1 4 2333 1 1 12 LEU CG C 3.854 -2.639 4.401 1.00 . A A . 31 LEU CG 1 1 4 2334 1 1 12 LEU H H 2.780 0.469 6.844 1.00 . A A . 31 LEU H 1 1 4 2335 1 1 12 LEU HA H 3.301 -0.278 4.014 1.00 . A A . 31 LEU HA 1 1 4 2336 1 1 12 LEU HB2 H 3.032 -2.059 6.299 1.00 . A A . 31 LEU HB2 1 1 4 2337 1 1 12 LEU HB3 H 1.825 -2.399 5.059 1.00 . A A . 31 LEU HB3 1 1 4 2338 1 1 12 LEU HD11 H 2.512 -2.132 2.802 1.00 . A A . 31 LEU HD11 1 1 4 2339 1 1 12 LEU HD12 H 4.180 -1.624 2.537 1.00 . A A . 31 LEU HD12 1 1 4 2340 1 1 12 LEU HD13 H 3.739 -3.323 2.370 1.00 . A A . 31 LEU HD13 1 1 4 2341 1 1 12 LEU HD21 H 5.172 -1.507 5.661 1.00 . A A . 31 LEU HD21 1 1 4 2342 1 1 12 LEU HD22 H 5.945 -2.857 4.832 1.00 . A A . 31 LEU HD22 1 1 4 2343 1 1 12 LEU HD23 H 5.540 -1.392 3.940 1.00 . A A . 31 LEU HD23 1 1 4 2344 1 1 12 LEU HG H 3.851 -3.699 4.609 1.00 . A A . 31 LEU HG 1 1 4 2345 1 1 12 LEU N N 3.313 0.301 6.045 1.00 . A A . 31 LEU N 1 1 4 2346 1 1 12 LEU O O 0.416 -0.290 5.516 1.00 . A A . 31 LEU O 1 1 4 2347 1 1 13 TYR C C -0.823 0.333 1.930 1.00 . A A . 32 TYR C 1 1 4 2348 1 1 13 TYR CA C -0.410 0.954 3.266 1.00 . A A . 32 TYR CA 1 1 4 2349 1 1 13 TYR CB C -0.485 2.481 3.143 1.00 . A A . 32 TYR CB 1 1 4 2350 1 1 13 TYR CD1 C -1.462 3.330 5.307 1.00 . A A . 32 TYR CD1 1 1 4 2351 1 1 13 TYR CD2 C 0.929 3.509 4.958 1.00 . A A . 32 TYR CD2 1 1 4 2352 1 1 13 TYR CE1 C -1.323 3.927 6.566 1.00 . A A . 32 TYR CE1 1 1 4 2353 1 1 13 TYR CE2 C 1.071 4.107 6.215 1.00 . A A . 32 TYR CE2 1 1 4 2354 1 1 13 TYR CG C -0.336 3.121 4.503 1.00 . A A . 32 TYR CG 1 1 4 2355 1 1 13 TYR CZ C -0.057 4.315 7.021 1.00 . A A . 32 TYR CZ 1 1 4 2356 1 1 13 TYR H H 1.700 0.708 2.909 1.00 . A A . 32 TYR H 1 1 4 2357 1 1 13 TYR HA H -1.070 0.614 4.050 1.00 . A A . 32 TYR HA 1 1 4 2358 1 1 13 TYR HB2 H 0.313 2.828 2.496 1.00 . A A . 32 TYR HB2 1 1 4 2359 1 1 13 TYR HB3 H -1.446 2.759 2.721 1.00 . A A . 32 TYR HB3 1 1 4 2360 1 1 13 TYR HD1 H -2.438 3.031 4.956 1.00 . A A . 32 TYR HD1 1 1 4 2361 1 1 13 TYR HD2 H 1.796 3.353 4.336 1.00 . A A . 32 TYR HD2 1 1 4 2362 1 1 13 TYR HE1 H -2.193 4.090 7.184 1.00 . A A . 32 TYR HE1 1 1 4 2363 1 1 13 TYR HE2 H 2.049 4.406 6.565 1.00 . A A . 32 TYR HE2 1 1 4 2364 1 1 13 TYR HH H 0.527 5.746 8.142 1.00 . A A . 32 TYR HH 1 1 4 2365 1 1 13 TYR N N 0.991 0.541 3.566 1.00 . A A . 32 TYR N 1 1 4 2366 1 1 13 TYR O O -0.004 0.172 1.051 1.00 . A A . 32 TYR O 1 1 4 2367 1 1 13 TYR OH O 0.081 4.904 8.261 1.00 . A A . 32 TYR OH 1 1 4 2368 1 1 14 PRO C C -2.704 0.560 -0.480 1.00 . A A . 33 PRO C 1 1 4 2369 1 1 14 PRO CA C -2.619 -0.552 0.559 1.00 . A A . 33 PRO CA 1 1 4 2370 1 1 14 PRO CB C -4.001 -1.064 0.959 1.00 . A A . 33 PRO CB 1 1 4 2371 1 1 14 PRO CD C -3.091 0.232 2.861 1.00 . A A . 33 PRO CD 1 1 4 2372 1 1 14 PRO CG C -4.402 -0.276 2.230 1.00 . A A . 33 PRO CG 1 1 4 2373 1 1 14 PRO HA H -1.998 -1.363 0.210 1.00 . A A . 33 PRO HA 1 1 4 2374 1 1 14 PRO HB2 H -4.707 -0.877 0.160 1.00 . A A . 33 PRO HB2 1 1 4 2375 1 1 14 PRO HB3 H -3.959 -2.118 1.181 1.00 . A A . 33 PRO HB3 1 1 4 2376 1 1 14 PRO HD2 H -3.172 1.282 3.110 1.00 . A A . 33 PRO HD2 1 1 4 2377 1 1 14 PRO HD3 H -2.838 -0.348 3.734 1.00 . A A . 33 PRO HD3 1 1 4 2378 1 1 14 PRO HG2 H -5.038 0.558 1.963 1.00 . A A . 33 PRO HG2 1 1 4 2379 1 1 14 PRO HG3 H -4.913 -0.925 2.924 1.00 . A A . 33 PRO HG3 1 1 4 2380 1 1 14 PRO N N -2.084 0.025 1.800 1.00 . A A . 33 PRO N 1 1 4 2381 1 1 14 PRO O O -3.094 1.665 -0.171 1.00 . A A . 33 PRO O 1 1 4 2382 1 1 15 LEU C C -3.766 1.627 -3.238 1.00 . A A . 34 LEU C 1 1 4 2383 1 1 15 LEU CA C -2.360 1.397 -2.694 1.00 . A A . 34 LEU CA 1 1 4 2384 1 1 15 LEU CB C -1.369 1.075 -3.815 1.00 . A A . 34 LEU CB 1 1 4 2385 1 1 15 LEU CD1 C -1.956 3.080 -5.228 1.00 . A A . 34 LEU CD1 1 1 4 2386 1 1 15 LEU CD2 C -0.976 1.015 -6.267 1.00 . A A . 34 LEU CD2 1 1 4 2387 1 1 15 LEU CG C -1.895 1.547 -5.168 1.00 . A A . 34 LEU CG 1 1 4 2388 1 1 15 LEU H H -1.980 -0.576 -1.953 1.00 . A A . 34 LEU H 1 1 4 2389 1 1 15 LEU HA H -2.036 2.307 -2.213 1.00 . A A . 34 LEU HA 1 1 4 2390 1 1 15 LEU HB2 H -0.445 1.583 -3.606 1.00 . A A . 34 LEU HB2 1 1 4 2391 1 1 15 LEU HB3 H -1.198 0.012 -3.847 1.00 . A A . 34 LEU HB3 1 1 4 2392 1 1 15 LEU HD11 H -1.125 3.493 -4.674 1.00 . A A . 34 LEU HD11 1 1 4 2393 1 1 15 LEU HD12 H -1.910 3.405 -6.255 1.00 . A A . 34 LEU HD12 1 1 4 2394 1 1 15 LEU HD13 H -2.876 3.431 -4.802 1.00 . A A . 34 LEU HD13 1 1 4 2395 1 1 15 LEU HD21 H -0.900 -0.058 -6.182 1.00 . A A . 34 LEU HD21 1 1 4 2396 1 1 15 LEU HD22 H -1.384 1.271 -7.231 1.00 . A A . 34 LEU HD22 1 1 4 2397 1 1 15 LEU HD23 H 0.005 1.453 -6.160 1.00 . A A . 34 LEU HD23 1 1 4 2398 1 1 15 LEU HG H -2.875 1.144 -5.302 1.00 . A A . 34 LEU HG 1 1 4 2399 1 1 15 LEU N N -2.318 0.310 -1.697 1.00 . A A . 34 LEU N 1 1 4 2400 1 1 15 LEU O O -4.475 0.726 -3.639 1.00 . A A . 34 LEU O 1 1 4 2401 1 1 16 CYS C C -5.178 3.693 -5.310 1.00 . A A . 35 CYS C 1 1 4 2402 1 1 16 CYS CA C -5.409 3.311 -3.851 1.00 . A A . 35 CYS CA 1 1 4 2403 1 1 16 CYS CB C -5.864 4.555 -3.112 1.00 . A A . 35 CYS CB 1 1 4 2404 1 1 16 CYS H H -3.472 3.540 -2.995 1.00 . A A . 35 CYS H 1 1 4 2405 1 1 16 CYS HA H -6.148 2.528 -3.771 1.00 . A A . 35 CYS HA 1 1 4 2406 1 1 16 CYS HB2 H -5.170 4.771 -2.315 1.00 . A A . 35 CYS HB2 1 1 4 2407 1 1 16 CYS HB3 H -5.874 5.379 -3.808 1.00 . A A . 35 CYS HB3 1 1 4 2408 1 1 16 CYS N N -4.111 2.871 -3.293 1.00 . A A . 35 CYS N 1 1 4 2409 1 1 16 CYS O O -4.822 4.815 -5.615 1.00 . A A . 35 CYS O 1 1 4 2410 1 1 16 CYS SG S -7.521 4.301 -2.433 1.00 . A A . 35 CYS SG 1 1 4 2411 1 1 17 VAL C C -6.210 4.044 -8.153 1.00 . A A . 36 VAL C 1 1 4 2412 1 1 17 VAL CA C -5.109 3.109 -7.641 1.00 . A A . 36 VAL CA 1 1 4 2413 1 1 17 VAL CB C -5.039 1.819 -8.460 1.00 . A A . 36 VAL CB 1 1 4 2414 1 1 17 VAL CG1 C -5.330 2.111 -9.935 1.00 . A A . 36 VAL CG1 1 1 4 2415 1 1 17 VAL CG2 C -3.625 1.240 -8.325 1.00 . A A . 36 VAL CG2 1 1 4 2416 1 1 17 VAL H H -5.622 1.885 -5.942 1.00 . A A . 36 VAL H 1 1 4 2417 1 1 17 VAL HA H -4.161 3.623 -7.720 1.00 . A A . 36 VAL HA 1 1 4 2418 1 1 17 VAL HB H -5.760 1.109 -8.081 1.00 . A A . 36 VAL HB 1 1 4 2419 1 1 17 VAL HG11 H -5.218 3.169 -10.122 1.00 . A A . 36 VAL HG11 1 1 4 2420 1 1 17 VAL HG12 H -4.637 1.561 -10.554 1.00 . A A . 36 VAL HG12 1 1 4 2421 1 1 17 VAL HG13 H -6.341 1.809 -10.170 1.00 . A A . 36 VAL HG13 1 1 4 2422 1 1 17 VAL HG21 H -2.976 1.973 -7.853 1.00 . A A . 36 VAL HG21 1 1 4 2423 1 1 17 VAL HG22 H -3.658 0.348 -7.718 1.00 . A A . 36 VAL HG22 1 1 4 2424 1 1 17 VAL HG23 H -3.241 0.997 -9.303 1.00 . A A . 36 VAL HG23 1 1 4 2425 1 1 17 VAL N N -5.351 2.781 -6.208 1.00 . A A . 36 VAL N 1 1 4 2426 1 1 17 VAL O O -5.950 4.943 -8.925 1.00 . A A . 36 VAL O 1 1 4 2427 1 1 18 THR C C -8.189 6.162 -7.534 1.00 . A A . 37 THR C 1 1 4 2428 1 1 18 THR CA C -8.492 4.819 -8.163 1.00 . A A . 37 THR CA 1 1 4 2429 1 1 18 THR CB C -9.869 4.319 -7.719 1.00 . A A . 37 THR CB 1 1 4 2430 1 1 18 THR CG2 C -10.889 4.573 -8.830 1.00 . A A . 37 THR CG2 1 1 4 2431 1 1 18 THR H H -7.629 3.173 -7.062 1.00 . A A . 37 THR H 1 1 4 2432 1 1 18 THR HA H -8.457 4.931 -9.237 1.00 . A A . 37 THR HA 1 1 4 2433 1 1 18 THR HB H -10.175 4.847 -6.829 1.00 . A A . 37 THR HB 1 1 4 2434 1 1 18 THR HG1 H -10.452 2.725 -6.769 1.00 . A A . 37 THR HG1 1 1 4 2435 1 1 18 THR HG21 H -10.403 5.068 -9.658 1.00 . A A . 37 THR HG21 1 1 4 2436 1 1 18 THR HG22 H -11.300 3.631 -9.164 1.00 . A A . 37 THR HG22 1 1 4 2437 1 1 18 THR HG23 H -11.685 5.199 -8.453 1.00 . A A . 37 THR HG23 1 1 4 2438 1 1 18 THR N N -7.427 3.880 -7.708 1.00 . A A . 37 THR N 1 1 4 2439 1 1 18 THR O O -8.357 7.199 -8.142 1.00 . A A . 37 THR O 1 1 4 2440 1 1 18 THR OG1 O -9.800 2.927 -7.445 1.00 . A A . 37 THR OG1 1 1 4 2441 1 1 19 THR C C -5.795 7.605 -5.938 1.00 . A A . 38 THR C 1 1 4 2442 1 1 19 THR CA C -7.296 7.428 -5.715 1.00 . A A . 38 THR CA 1 1 4 2443 1 1 19 THR CB C -7.613 7.450 -4.226 1.00 . A A . 38 THR CB 1 1 4 2444 1 1 19 THR CG2 C -7.065 8.753 -3.672 1.00 . A A . 38 THR CG2 1 1 4 2445 1 1 19 THR H H -7.504 5.301 -5.881 1.00 . A A . 38 THR H 1 1 4 2446 1 1 19 THR HA H -7.824 8.233 -6.208 1.00 . A A . 38 THR HA 1 1 4 2447 1 1 19 THR HB H -7.142 6.621 -3.732 1.00 . A A . 38 THR HB 1 1 4 2448 1 1 19 THR HG1 H -9.208 6.677 -3.424 1.00 . A A . 38 THR HG1 1 1 4 2449 1 1 19 THR HG21 H -6.711 9.356 -4.498 1.00 . A A . 38 THR HG21 1 1 4 2450 1 1 19 THR HG22 H -7.845 9.282 -3.145 1.00 . A A . 38 THR HG22 1 1 4 2451 1 1 19 THR HG23 H -6.245 8.544 -3.003 1.00 . A A . 38 THR HG23 1 1 4 2452 1 1 19 THR N N -7.678 6.149 -6.339 1.00 . A A . 38 THR N 1 1 4 2453 1 1 19 THR O O -5.102 8.268 -5.195 1.00 . A A . 38 THR O 1 1 4 2454 1 1 19 THR OG1 O -9.020 7.392 -4.036 1.00 . A A . 38 THR OG1 1 1 4 2455 1 1 20 THR C C -3.589 8.662 -7.547 1.00 . A A . 39 THR C 1 1 4 2456 1 1 20 THR CA C -3.871 7.180 -7.366 1.00 . A A . 39 THR CA 1 1 4 2457 1 1 20 THR CB C -3.592 6.459 -8.687 1.00 . A A . 39 THR CB 1 1 4 2458 1 1 20 THR CG2 C -4.586 6.933 -9.749 1.00 . A A . 39 THR CG2 1 1 4 2459 1 1 20 THR H H -5.909 6.549 -7.589 1.00 . A A . 39 THR H 1 1 4 2460 1 1 20 THR HA H -3.256 6.778 -6.590 1.00 . A A . 39 THR HA 1 1 4 2461 1 1 20 THR HB H -3.696 5.394 -8.549 1.00 . A A . 39 THR HB 1 1 4 2462 1 1 20 THR HG1 H -2.240 7.692 -9.345 1.00 . A A . 39 THR HG1 1 1 4 2463 1 1 20 THR HG21 H -5.443 7.378 -9.266 1.00 . A A . 39 THR HG21 1 1 4 2464 1 1 20 THR HG22 H -4.111 7.666 -10.384 1.00 . A A . 39 THR HG22 1 1 4 2465 1 1 20 THR HG23 H -4.905 6.092 -10.346 1.00 . A A . 39 THR HG23 1 1 4 2466 1 1 20 THR N N -5.311 7.038 -7.007 1.00 . A A . 39 THR N 1 1 4 2467 1 1 20 THR O O -2.462 9.110 -7.591 1.00 . A A . 39 THR O 1 1 4 2468 1 1 20 THR OG1 O -2.271 6.761 -9.113 1.00 . A A . 39 THR OG1 1 1 4 2469 1 1 21 ASN C C -4.357 11.557 -6.488 1.00 . A A . 40 ASN C 1 1 4 2470 1 1 21 ASN CA C -4.552 10.871 -7.849 1.00 . A A . 40 ASN CA 1 1 4 2471 1 1 21 ASN CB C -5.877 11.306 -8.457 1.00 . A A . 40 ASN CB 1 1 4 2472 1 1 21 ASN CG C -5.662 12.522 -9.360 1.00 . A A . 40 ASN CG 1 1 4 2473 1 1 21 ASN H H -5.519 8.993 -7.631 1.00 . A A . 40 ASN H 1 1 4 2474 1 1 21 ASN HA H -3.741 11.116 -8.516 1.00 . A A . 40 ASN HA 1 1 4 2475 1 1 21 ASN HB2 H -6.291 10.479 -9.032 1.00 . A A . 40 ASN HB2 1 1 4 2476 1 1 21 ASN HB3 H -6.557 11.559 -7.662 1.00 . A A . 40 ASN HB3 1 1 4 2477 1 1 21 ASN HD21 H -4.363 13.384 -8.131 1.00 . A A . 40 ASN HD21 1 1 4 2478 1 1 21 ASN HD22 H -4.693 14.244 -9.557 1.00 . A A . 40 ASN HD22 1 1 4 2479 1 1 21 ASN N N -4.641 9.409 -7.660 1.00 . A A . 40 ASN N 1 1 4 2480 1 1 21 ASN ND2 N -4.838 13.462 -8.985 1.00 . A A . 40 ASN ND2 1 1 4 2481 1 1 21 ASN O O -4.943 12.581 -6.205 1.00 . A A . 40 ASN O 1 1 4 2482 1 1 21 ASN OD1 O -6.251 12.618 -10.418 1.00 . A A . 40 ASN OD1 1 1 4 2483 1 1 22 GLY C C -3.625 10.537 -3.222 1.00 . A A . 41 GLY C 1 1 4 2484 1 1 22 GLY CA C -3.296 11.579 -4.297 1.00 . A A . 41 GLY CA 1 1 4 2485 1 1 22 GLY H H -3.088 10.167 -5.900 1.00 . A A . 41 GLY H 1 1 4 2486 1 1 22 GLY HA2 H -3.925 12.444 -4.161 1.00 . A A . 41 GLY HA2 1 1 4 2487 1 1 22 GLY HA3 H -2.256 11.869 -4.213 1.00 . A A . 41 GLY HA3 1 1 4 2488 1 1 22 GLY N N -3.539 10.987 -5.646 1.00 . A A . 41 GLY N 1 1 4 2489 1 1 22 GLY O O -3.718 9.357 -3.497 1.00 . A A . 41 GLY O 1 1 4 2490 1 1 23 TRP C C -5.624 9.637 -0.980 1.00 . A A . 42 TRP C 1 1 4 2491 1 1 23 TRP CA C -4.136 9.988 -0.913 1.00 . A A . 42 TRP CA 1 1 4 2492 1 1 23 TRP CB C -3.838 10.612 0.453 1.00 . A A . 42 TRP CB 1 1 4 2493 1 1 23 TRP CD1 C -1.323 10.933 0.439 1.00 . A A . 42 TRP CD1 1 1 4 2494 1 1 23 TRP CD2 C -1.984 9.300 1.832 1.00 . A A . 42 TRP CD2 1 1 4 2495 1 1 23 TRP CE2 C -0.577 9.379 1.936 1.00 . A A . 42 TRP CE2 1 1 4 2496 1 1 23 TRP CE3 C -2.654 8.342 2.610 1.00 . A A . 42 TRP CE3 1 1 4 2497 1 1 23 TRP CG C -2.437 10.302 0.878 1.00 . A A . 42 TRP CG 1 1 4 2498 1 1 23 TRP CH2 C -0.543 7.585 3.555 1.00 . A A . 42 TRP CH2 1 1 4 2499 1 1 23 TRP CZ2 C 0.141 8.533 2.786 1.00 . A A . 42 TRP CZ2 1 1 4 2500 1 1 23 TRP CZ3 C -1.939 7.490 3.464 1.00 . A A . 42 TRP CZ3 1 1 4 2501 1 1 23 TRP H H -3.732 11.916 -1.794 1.00 . A A . 42 TRP H 1 1 4 2502 1 1 23 TRP HA H -3.547 9.092 -1.039 1.00 . A A . 42 TRP HA 1 1 4 2503 1 1 23 TRP HB2 H -3.962 11.680 0.393 1.00 . A A . 42 TRP HB2 1 1 4 2504 1 1 23 TRP HB3 H -4.528 10.214 1.182 1.00 . A A . 42 TRP HB3 1 1 4 2505 1 1 23 TRP HD1 H -1.294 11.732 -0.280 1.00 . A A . 42 TRP HD1 1 1 4 2506 1 1 23 TRP HE1 H 0.697 10.679 0.922 1.00 . A A . 42 TRP HE1 1 1 4 2507 1 1 23 TRP HE3 H -3.725 8.258 2.546 1.00 . A A . 42 TRP HE3 1 1 4 2508 1 1 23 TRP HH2 H 0.003 6.923 4.215 1.00 . A A . 42 TRP HH2 1 1 4 2509 1 1 23 TRP HZ2 H 1.214 8.615 2.853 1.00 . A A . 42 TRP HZ2 1 1 4 2510 1 1 23 TRP HZ3 H -2.469 6.759 4.055 1.00 . A A . 42 TRP HZ3 1 1 4 2511 1 1 23 TRP N N -3.806 10.961 -1.998 1.00 . A A . 42 TRP N 1 1 4 2512 1 1 23 TRP NE1 N -0.224 10.392 1.066 1.00 . A A . 42 TRP NE1 1 1 4 2513 1 1 23 TRP O O -6.463 10.486 -1.210 1.00 . A A . 42 TRP O 1 1 4 2514 1 1 24 GLY C C -7.698 7.019 0.319 1.00 . A A . 43 GLY C 1 1 4 2515 1 1 24 GLY CA C -7.398 7.993 -0.821 1.00 . A A . 43 GLY CA 1 1 4 2516 1 1 24 GLY H H -5.272 7.723 -0.589 1.00 . A A . 43 GLY H 1 1 4 2517 1 1 24 GLY HA2 H -7.609 7.511 -1.763 1.00 . A A . 43 GLY HA2 1 1 4 2518 1 1 24 GLY HA3 H -8.020 8.871 -0.718 1.00 . A A . 43 GLY HA3 1 1 4 2519 1 1 24 GLY N N -5.962 8.393 -0.775 1.00 . A A . 43 GLY N 1 1 4 2520 1 1 24 GLY O O -6.860 6.746 1.154 1.00 . A A . 43 GLY O 1 1 4 2521 1 1 25 TRP C C -9.926 4.304 0.810 1.00 . A A . 44 TRP C 1 1 4 2522 1 1 25 TRP CA C -9.252 5.528 1.434 1.00 . A A . 44 TRP CA 1 1 4 2523 1 1 25 TRP CB C -10.222 6.193 2.410 1.00 . A A . 44 TRP CB 1 1 4 2524 1 1 25 TRP CD1 C -11.209 4.348 3.803 1.00 . A A . 44 TRP CD1 1 1 4 2525 1 1 25 TRP CD2 C -9.587 5.455 4.871 1.00 . A A . 44 TRP CD2 1 1 4 2526 1 1 25 TRP CE2 C -10.053 4.461 5.754 1.00 . A A . 44 TRP CE2 1 1 4 2527 1 1 25 TRP CE3 C -8.558 6.297 5.306 1.00 . A A . 44 TRP CE3 1 1 4 2528 1 1 25 TRP CG C -10.342 5.362 3.637 1.00 . A A . 44 TRP CG 1 1 4 2529 1 1 25 TRP CH2 C -8.499 5.140 7.452 1.00 . A A . 44 TRP CH2 1 1 4 2530 1 1 25 TRP CZ2 C -9.529 4.298 7.019 1.00 . A A . 44 TRP CZ2 1 1 4 2531 1 1 25 TRP CZ3 C -8.013 6.141 6.594 1.00 . A A . 44 TRP CZ3 1 1 4 2532 1 1 25 TRP H H -9.550 6.723 -0.332 1.00 . A A . 44 TRP H 1 1 4 2533 1 1 25 TRP HA H -8.361 5.224 1.964 1.00 . A A . 44 TRP HA 1 1 4 2534 1 1 25 TRP HB2 H -9.856 7.165 2.676 1.00 . A A . 44 TRP HB2 1 1 4 2535 1 1 25 TRP HB3 H -11.188 6.291 1.949 1.00 . A A . 44 TRP HB3 1 1 4 2536 1 1 25 TRP HD1 H -11.917 4.014 3.077 1.00 . A A . 44 TRP HD1 1 1 4 2537 1 1 25 TRP HE1 H -11.541 3.070 5.435 1.00 . A A . 44 TRP HE1 1 1 4 2538 1 1 25 TRP HE3 H -8.184 7.064 4.644 1.00 . A A . 44 TRP HE3 1 1 4 2539 1 1 25 TRP HH2 H -8.081 5.022 8.440 1.00 . A A . 44 TRP HH2 1 1 4 2540 1 1 25 TRP HZ2 H -9.919 3.523 7.658 1.00 . A A . 44 TRP HZ2 1 1 4 2541 1 1 25 TRP HZ3 H -7.218 6.794 6.924 1.00 . A A . 44 TRP HZ3 1 1 4 2542 1 1 25 TRP N N -8.892 6.490 0.355 1.00 . A A . 44 TRP N 1 1 4 2543 1 1 25 TRP NE1 N -11.037 3.815 5.061 1.00 . A A . 44 TRP NE1 1 1 4 2544 1 1 25 TRP O O -10.886 4.422 0.074 1.00 . A A . 44 TRP O 1 1 4 2545 1 1 26 GLU C C -9.523 0.668 1.232 1.00 . A A . 45 GLU C 1 1 4 2546 1 1 26 GLU CA C -10.053 1.906 0.507 1.00 . A A . 45 GLU CA 1 1 4 2547 1 1 26 GLU CB C -9.697 1.817 -0.979 1.00 . A A . 45 GLU CB 1 1 4 2548 1 1 26 GLU CD C -10.445 0.700 -3.085 1.00 . A A . 45 GLU CD 1 1 4 2549 1 1 26 GLU CG C -10.290 0.538 -1.571 1.00 . A A . 45 GLU CG 1 1 4 2550 1 1 26 GLU H H -8.658 3.052 1.686 1.00 . A A . 45 GLU H 1 1 4 2551 1 1 26 GLU HA H -11.125 1.957 0.618 1.00 . A A . 45 GLU HA 1 1 4 2552 1 1 26 GLU HB2 H -10.101 2.676 -1.496 1.00 . A A . 45 GLU HB2 1 1 4 2553 1 1 26 GLU HB3 H -8.624 1.801 -1.093 1.00 . A A . 45 GLU HB3 1 1 4 2554 1 1 26 GLU HG2 H -9.632 -0.294 -1.363 1.00 . A A . 45 GLU HG2 1 1 4 2555 1 1 26 GLU HG3 H -11.257 0.352 -1.130 1.00 . A A . 45 GLU HG3 1 1 4 2556 1 1 26 GLU N N -9.433 3.129 1.092 1.00 . A A . 45 GLU N 1 1 4 2557 1 1 26 GLU O O -8.520 0.720 1.916 1.00 . A A . 45 GLU O 1 1 4 2558 1 1 26 GLU OE1 O -10.267 1.808 -3.565 1.00 . A A . 45 GLU OE1 1 1 4 2559 1 1 26 GLU OE2 O -10.739 -0.287 -3.739 1.00 . A A . 45 GLU OE2 1 1 4 2560 1 1 27 ASP C C -9.945 -1.540 3.282 1.00 . A A . 46 ASP C 1 1 4 2561 1 1 27 ASP CA C -9.718 -1.681 1.779 1.00 . A A . 46 ASP CA 1 1 4 2562 1 1 27 ASP CB C -8.230 -1.867 1.514 1.00 . A A . 46 ASP CB 1 1 4 2563 1 1 27 ASP CG C -7.955 -3.316 1.112 1.00 . A A . 46 ASP CG 1 1 4 2564 1 1 27 ASP H H -10.997 -0.470 0.539 1.00 . A A . 46 ASP H 1 1 4 2565 1 1 27 ASP HA H -10.262 -2.536 1.407 1.00 . A A . 46 ASP HA 1 1 4 2566 1 1 27 ASP HB2 H -7.924 -1.205 0.719 1.00 . A A . 46 ASP HB2 1 1 4 2567 1 1 27 ASP HB3 H -7.679 -1.632 2.411 1.00 . A A . 46 ASP HB3 1 1 4 2568 1 1 27 ASP N N -10.190 -0.446 1.093 1.00 . A A . 46 ASP N 1 1 4 2569 1 1 27 ASP O O -9.224 -2.098 4.087 1.00 . A A . 46 ASP O 1 1 4 2570 1 1 27 ASP OD1 O -8.552 -4.199 1.705 1.00 . A A . 46 ASP OD1 1 1 4 2571 1 1 27 ASP OD2 O -7.151 -3.520 0.216 1.00 . A A . 46 ASP OD2 1 1 4 2572 1 1 28 GLN C C -9.985 0.003 5.783 1.00 . A A . 47 GLN C 1 1 4 2573 1 1 28 GLN CA C -11.216 -0.605 5.112 1.00 . A A . 47 GLN CA 1 1 4 2574 1 1 28 GLN CB C -11.536 -1.959 5.736 1.00 . A A . 47 GLN CB 1 1 4 2575 1 1 28 GLN CD C -12.463 -3.028 7.796 1.00 . A A . 47 GLN CD 1 1 4 2576 1 1 28 GLN CG C -12.473 -1.766 6.930 1.00 . A A . 47 GLN CG 1 1 4 2577 1 1 28 GLN H H -11.499 -0.357 2.998 1.00 . A A . 47 GLN H 1 1 4 2578 1 1 28 GLN HA H -12.060 0.059 5.234 1.00 . A A . 47 GLN HA 1 1 4 2579 1 1 28 GLN HB2 H -12.014 -2.584 4.996 1.00 . A A . 47 GLN HB2 1 1 4 2580 1 1 28 GLN HB3 H -10.621 -2.428 6.068 1.00 . A A . 47 GLN HB3 1 1 4 2581 1 1 28 GLN HE21 H -12.507 -4.265 6.244 1.00 . A A . 47 GLN HE21 1 1 4 2582 1 1 28 GLN HE22 H -12.479 -5.013 7.767 1.00 . A A . 47 GLN HE22 1 1 4 2583 1 1 28 GLN HG2 H -12.139 -0.923 7.517 1.00 . A A . 47 GLN HG2 1 1 4 2584 1 1 28 GLN HG3 H -13.475 -1.584 6.575 1.00 . A A . 47 GLN HG3 1 1 4 2585 1 1 28 GLN N N -10.939 -0.793 3.665 1.00 . A A . 47 GLN N 1 1 4 2586 1 1 28 GLN NE2 N -12.484 -4.199 7.221 1.00 . A A . 47 GLN NE2 1 1 4 2587 1 1 28 GLN O O -9.842 -0.022 6.990 1.00 . A A . 47 GLN O 1 1 4 2588 1 1 28 GLN OE1 O -12.435 -2.946 9.008 1.00 . A A . 47 GLN OE1 1 1 4 2589 1 1 29 ARG C C -7.398 2.293 4.653 1.00 . A A . 48 ARG C 1 1 4 2590 1 1 29 ARG CA C -7.869 1.170 5.578 1.00 . A A . 48 ARG CA 1 1 4 2591 1 1 29 ARG CB C -6.771 0.111 5.698 1.00 . A A . 48 ARG CB 1 1 4 2592 1 1 29 ARG CD C -5.740 -1.597 7.202 1.00 . A A . 48 ARG CD 1 1 4 2593 1 1 29 ARG CG C -6.882 -0.589 7.054 1.00 . A A . 48 ARG CG 1 1 4 2594 1 1 29 ARG CZ C -6.003 -2.904 9.224 1.00 . A A . 48 ARG CZ 1 1 4 2595 1 1 29 ARG H H -9.236 0.561 4.033 1.00 . A A . 48 ARG H 1 1 4 2596 1 1 29 ARG HA H -8.091 1.574 6.555 1.00 . A A . 48 ARG HA 1 1 4 2597 1 1 29 ARG HB2 H -6.885 -0.616 4.906 1.00 . A A . 48 ARG HB2 1 1 4 2598 1 1 29 ARG HB3 H -5.804 0.583 5.617 1.00 . A A . 48 ARG HB3 1 1 4 2599 1 1 29 ARG HD2 H -5.395 -1.896 6.224 1.00 . A A . 48 ARG HD2 1 1 4 2600 1 1 29 ARG HD3 H -4.927 -1.142 7.748 1.00 . A A . 48 ARG HD3 1 1 4 2601 1 1 29 ARG HE H -6.717 -3.498 7.469 1.00 . A A . 48 ARG HE 1 1 4 2602 1 1 29 ARG HG2 H -6.821 0.145 7.844 1.00 . A A . 48 ARG HG2 1 1 4 2603 1 1 29 ARG HG3 H -7.827 -1.108 7.115 1.00 . A A . 48 ARG HG3 1 1 4 2604 1 1 29 ARG HH11 H -6.529 -1.018 9.635 1.00 . A A . 48 ARG HH11 1 1 4 2605 1 1 29 ARG HH12 H -6.031 -1.969 10.994 1.00 . A A . 48 ARG HH12 1 1 4 2606 1 1 29 ARG HH21 H -5.424 -4.818 9.113 1.00 . A A . 48 ARG HH21 1 1 4 2607 1 1 29 ARG HH22 H -5.405 -4.121 10.699 1.00 . A A . 48 ARG HH22 1 1 4 2608 1 1 29 ARG N N -9.095 0.553 5.003 1.00 . A A . 48 ARG N 1 1 4 2609 1 1 29 ARG NE N -6.228 -2.794 7.944 1.00 . A A . 48 ARG NE 1 1 4 2610 1 1 29 ARG NH1 N -6.203 -1.884 10.012 1.00 . A A . 48 ARG NH1 1 1 4 2611 1 1 29 ARG NH2 N -5.577 -4.036 9.716 1.00 . A A . 48 ARG NH2 1 1 4 2612 1 1 29 ARG O O -7.712 2.315 3.480 1.00 . A A . 48 ARG O 1 1 4 2613 1 1 30 SER C C -5.326 3.780 3.160 1.00 . A A . 49 SER C 1 1 4 2614 1 1 30 SER CA C -6.165 4.345 4.309 1.00 . A A . 49 SER CA 1 1 4 2615 1 1 30 SER CB C -5.304 5.295 5.142 1.00 . A A . 49 SER CB 1 1 4 2616 1 1 30 SER H H -6.405 3.196 6.117 1.00 . A A . 49 SER H 1 1 4 2617 1 1 30 SER HA H -7.013 4.882 3.907 1.00 . A A . 49 SER HA 1 1 4 2618 1 1 30 SER HB2 H -4.554 5.747 4.515 1.00 . A A . 49 SER HB2 1 1 4 2619 1 1 30 SER HB3 H -5.928 6.070 5.565 1.00 . A A . 49 SER HB3 1 1 4 2620 1 1 30 SER HG H -5.245 4.562 6.944 1.00 . A A . 49 SER HG 1 1 4 2621 1 1 30 SER N N -6.647 3.228 5.168 1.00 . A A . 49 SER N 1 1 4 2622 1 1 30 SER O O -4.421 2.996 3.367 1.00 . A A . 49 SER O 1 1 4 2623 1 1 30 SER OG O -4.664 4.562 6.179 1.00 . A A . 49 SER OG 1 1 4 2624 1 1 31 CYS C C -4.015 4.824 0.198 1.00 . A A . 50 CYS C 1 1 4 2625 1 1 31 CYS CA C -4.826 3.673 0.794 1.00 . A A . 50 CYS CA 1 1 4 2626 1 1 31 CYS CB C -5.771 3.104 -0.270 1.00 . A A . 50 CYS CB 1 1 4 2627 1 1 31 CYS H H -6.343 4.819 1.810 1.00 . A A . 50 CYS H 1 1 4 2628 1 1 31 CYS HA H -4.155 2.898 1.131 1.00 . A A . 50 CYS HA 1 1 4 2629 1 1 31 CYS HB2 H -5.255 3.048 -1.216 1.00 . A A . 50 CYS HB2 1 1 4 2630 1 1 31 CYS HB3 H -6.090 2.115 0.026 1.00 . A A . 50 CYS HB3 1 1 4 2631 1 1 31 CYS N N -5.613 4.180 1.953 1.00 . A A . 50 CYS N 1 1 4 2632 1 1 31 CYS O O -4.461 5.952 0.162 1.00 . A A . 50 CYS O 1 1 4 2633 1 1 31 CYS SG S -7.220 4.177 -0.439 1.00 . A A . 50 CYS SG 1 1 4 2634 1 1 32 ILE C C -1.965 5.524 -2.365 1.00 . A A . 51 ILE C 1 1 4 2635 1 1 32 ILE CA C -1.992 5.645 -0.842 1.00 . A A . 51 ILE CA 1 1 4 2636 1 1 32 ILE CB C -0.573 5.548 -0.283 1.00 . A A . 51 ILE CB 1 1 4 2637 1 1 32 ILE CD1 C 0.811 5.915 1.745 1.00 . A A . 51 ILE CD1 1 1 4 2638 1 1 32 ILE CG1 C -0.516 6.253 1.059 1.00 . A A . 51 ILE CG1 1 1 4 2639 1 1 32 ILE CG2 C 0.407 6.239 -1.222 1.00 . A A . 51 ILE CG2 1 1 4 2640 1 1 32 ILE H H -2.471 3.645 -0.219 1.00 . A A . 51 ILE H 1 1 4 2641 1 1 32 ILE HA H -2.418 6.599 -0.570 1.00 . A A . 51 ILE HA 1 1 4 2642 1 1 32 ILE HB H -0.297 4.511 -0.164 1.00 . A A . 51 ILE HB 1 1 4 2643 1 1 32 ILE HD11 H 1.329 5.164 1.168 1.00 . A A . 51 ILE HD11 1 1 4 2644 1 1 32 ILE HD12 H 1.419 6.804 1.806 1.00 . A A . 51 ILE HD12 1 1 4 2645 1 1 32 ILE HD13 H 0.618 5.538 2.737 1.00 . A A . 51 ILE HD13 1 1 4 2646 1 1 32 ILE HG12 H -0.583 7.318 0.894 1.00 . A A . 51 ILE HG12 1 1 4 2647 1 1 32 ILE HG13 H -1.338 5.926 1.676 1.00 . A A . 51 ILE HG13 1 1 4 2648 1 1 32 ILE HG21 H 0.095 7.264 -1.369 1.00 . A A . 51 ILE HG21 1 1 4 2649 1 1 32 ILE HG22 H 1.393 6.220 -0.780 1.00 . A A . 51 ILE HG22 1 1 4 2650 1 1 32 ILE HG23 H 0.417 5.722 -2.172 1.00 . A A . 51 ILE HG23 1 1 4 2651 1 1 32 ILE N N -2.822 4.556 -0.262 1.00 . A A . 51 ILE N 1 1 4 2652 1 1 32 ILE O O -1.739 4.466 -2.914 1.00 . A A . 51 ILE O 1 1 4 2653 1 1 33 ALA C C -1.057 5.735 -5.081 1.00 . A A . 52 ALA C 1 1 4 2654 1 1 33 ALA CA C -2.198 6.593 -4.532 1.00 . A A . 52 ALA CA 1 1 4 2655 1 1 33 ALA CB C -2.063 8.016 -5.052 1.00 . A A . 52 ALA CB 1 1 4 2656 1 1 33 ALA H H -2.365 7.450 -2.563 1.00 . A A . 52 ALA H 1 1 4 2657 1 1 33 ALA HA H -3.135 6.182 -4.868 1.00 . A A . 52 ALA HA 1 1 4 2658 1 1 33 ALA HB1 H -3.044 8.393 -5.288 1.00 . A A . 52 ALA HB1 1 1 4 2659 1 1 33 ALA HB2 H -1.446 8.018 -5.940 1.00 . A A . 52 ALA HB2 1 1 4 2660 1 1 33 ALA HB3 H -1.610 8.635 -4.293 1.00 . A A . 52 ALA HB3 1 1 4 2661 1 1 33 ALA N N -2.192 6.611 -3.042 1.00 . A A . 52 ALA N 1 1 4 2662 1 1 33 ALA O O -0.181 5.329 -4.365 1.00 . A A . 52 ALA O 1 1 4 2663 1 1 34 ARG C C 1.365 5.123 -6.738 1.00 . A A . 53 ARG C 1 1 4 2664 1 1 34 ARG CA C -0.036 4.570 -6.966 1.00 . A A . 53 ARG CA 1 1 4 2665 1 1 34 ARG CB C -0.281 4.485 -8.473 1.00 . A A . 53 ARG CB 1 1 4 2666 1 1 34 ARG CD C -0.141 2.842 -10.344 1.00 . A A . 53 ARG CD 1 1 4 2667 1 1 34 ARG CG C -0.533 3.037 -8.878 1.00 . A A . 53 ARG CG 1 1 4 2668 1 1 34 ARG CZ C -1.006 1.663 -12.274 1.00 . A A . 53 ARG CZ 1 1 4 2669 1 1 34 ARG H H -1.820 5.762 -6.910 1.00 . A A . 53 ARG H 1 1 4 2670 1 1 34 ARG HA H -0.095 3.580 -6.537 1.00 . A A . 53 ARG HA 1 1 4 2671 1 1 34 ARG HB2 H -1.142 5.080 -8.729 1.00 . A A . 53 ARG HB2 1 1 4 2672 1 1 34 ARG HB3 H 0.584 4.857 -9.000 1.00 . A A . 53 ARG HB3 1 1 4 2673 1 1 34 ARG HD2 H -0.156 3.796 -10.850 1.00 . A A . 53 ARG HD2 1 1 4 2674 1 1 34 ARG HD3 H 0.852 2.421 -10.397 1.00 . A A . 53 ARG HD3 1 1 4 2675 1 1 34 ARG HE H -1.822 1.500 -10.471 1.00 . A A . 53 ARG HE 1 1 4 2676 1 1 34 ARG HG2 H 0.059 2.384 -8.256 1.00 . A A . 53 ARG HG2 1 1 4 2677 1 1 34 ARG HG3 H -1.580 2.812 -8.753 1.00 . A A . 53 ARG HG3 1 1 4 2678 1 1 34 ARG HH11 H -0.913 3.591 -12.807 1.00 . A A . 53 ARG HH11 1 1 4 2679 1 1 34 ARG HH12 H -0.829 2.449 -14.107 1.00 . A A . 53 ARG HH12 1 1 4 2680 1 1 34 ARG HH21 H -1.073 -0.324 -12.039 1.00 . A A . 53 ARG HH21 1 1 4 2681 1 1 34 ARG HH22 H -0.921 0.233 -13.672 1.00 . A A . 53 ARG HH22 1 1 4 2682 1 1 34 ARG N N -1.085 5.440 -6.355 1.00 . A A . 53 ARG N 1 1 4 2683 1 1 34 ARG NE N -1.108 1.918 -10.998 1.00 . A A . 53 ARG NE 1 1 4 2684 1 1 34 ARG NH1 N -0.908 2.644 -13.130 1.00 . A A . 53 ARG NH1 1 1 4 2685 1 1 34 ARG NH2 N -0.999 0.427 -12.695 1.00 . A A . 53 ARG NH2 1 1 4 2686 1 1 34 ARG O O 2.097 4.642 -5.910 1.00 . A A . 53 ARG O 1 1 4 2687 1 1 35 SER C C 3.314 7.081 -5.857 1.00 . A A . 54 SER C 1 1 4 2688 1 1 35 SER CA C 3.150 6.582 -7.288 1.00 . A A . 54 SER CA 1 1 4 2689 1 1 35 SER CB C 3.444 7.708 -8.281 1.00 . A A . 54 SER CB 1 1 4 2690 1 1 35 SER H H 1.219 6.465 -8.176 1.00 . A A . 54 SER H 1 1 4 2691 1 1 35 SER HA H 3.827 5.750 -7.455 1.00 . A A . 54 SER HA 1 1 4 2692 1 1 35 SER HB2 H 2.550 8.285 -8.448 1.00 . A A . 54 SER HB2 1 1 4 2693 1 1 35 SER HB3 H 4.215 8.351 -7.877 1.00 . A A . 54 SER HB3 1 1 4 2694 1 1 35 SER HG H 4.534 7.733 -9.893 1.00 . A A . 54 SER HG 1 1 4 2695 1 1 35 SER N N 1.780 6.090 -7.483 1.00 . A A . 54 SER N 1 1 4 2696 1 1 35 SER O O 4.260 6.728 -5.181 1.00 . A A . 54 SER O 1 1 4 2697 1 1 35 SER OG O 3.876 7.147 -9.515 1.00 . A A . 54 SER OG 1 1 4 2698 1 1 36 THR C C 2.802 7.123 -3.106 1.00 . A A . 55 THR C 1 1 4 2699 1 1 36 THR CA C 2.559 8.348 -3.965 1.00 . A A . 55 THR CA 1 1 4 2700 1 1 36 THR CB C 1.302 9.051 -3.477 1.00 . A A . 55 THR CB 1 1 4 2701 1 1 36 THR CG2 C 1.447 9.364 -1.982 1.00 . A A . 55 THR CG2 1 1 4 2702 1 1 36 THR H H 1.631 8.156 -5.903 1.00 . A A . 55 THR H 1 1 4 2703 1 1 36 THR HA H 3.396 9.015 -3.892 1.00 . A A . 55 THR HA 1 1 4 2704 1 1 36 THR HB H 0.459 8.406 -3.624 1.00 . A A . 55 THR HB 1 1 4 2705 1 1 36 THR HG1 H 1.964 10.707 -4.253 1.00 . A A . 55 THR HG1 1 1 4 2706 1 1 36 THR HG21 H 2.133 8.656 -1.522 1.00 . A A . 55 THR HG21 1 1 4 2707 1 1 36 THR HG22 H 1.830 10.366 -1.861 1.00 . A A . 55 THR HG22 1 1 4 2708 1 1 36 THR HG23 H 0.481 9.290 -1.504 1.00 . A A . 55 THR HG23 1 1 4 2709 1 1 36 THR N N 2.406 7.883 -5.365 1.00 . A A . 55 THR N 1 1 4 2710 1 1 36 THR O O 3.467 7.177 -2.106 1.00 . A A . 55 THR O 1 1 4 2711 1 1 36 THR OG1 O 1.117 10.257 -4.206 1.00 . A A . 55 THR OG1 1 1 4 2712 1 1 37 CYS C C 3.865 4.272 -2.937 1.00 . A A . 56 CYS C 1 1 4 2713 1 1 37 CYS CA C 2.447 4.753 -2.756 1.00 . A A . 56 CYS CA 1 1 4 2714 1 1 37 CYS CB C 1.474 3.673 -3.319 1.00 . A A . 56 CYS CB 1 1 4 2715 1 1 37 CYS H H 1.741 6.012 -4.343 1.00 . A A . 56 CYS H 1 1 4 2716 1 1 37 CYS HA H 2.271 4.912 -1.700 1.00 . A A . 56 CYS HA 1 1 4 2717 1 1 37 CYS HB2 H 0.465 3.959 -3.155 1.00 . A A . 56 CYS HB2 1 1 4 2718 1 1 37 CYS HB3 H 1.619 3.547 -4.373 1.00 . A A . 56 CYS HB3 1 1 4 2719 1 1 37 CYS N N 2.263 6.016 -3.516 1.00 . A A . 56 CYS N 1 1 4 2720 1 1 37 CYS O O 4.694 4.348 -2.052 1.00 . A A . 56 CYS O 1 1 4 2721 1 1 37 CYS SG S 1.750 2.099 -2.509 1.00 . A A . 56 CYS SG 1 1 4 2722 1 1 38 ALA C C 6.370 4.105 -5.083 1.00 . A A . 57 ALA C 1 1 4 2723 1 1 38 ALA CA C 5.422 3.141 -4.338 1.00 . A A . 57 ALA CA 1 1 4 2724 1 1 38 ALA CB C 5.119 1.922 -5.159 1.00 . A A . 57 ALA CB 1 1 4 2725 1 1 38 ALA H H 3.408 3.633 -4.724 1.00 . A A . 57 ALA H 1 1 4 2726 1 1 38 ALA HA H 5.870 2.839 -3.414 1.00 . A A . 57 ALA HA 1 1 4 2727 1 1 38 ALA HB1 H 4.632 2.241 -6.079 1.00 . A A . 57 ALA HB1 1 1 4 2728 1 1 38 ALA HB2 H 4.439 1.281 -4.581 1.00 . A A . 57 ALA HB2 1 1 4 2729 1 1 38 ALA HB3 H 6.026 1.391 -5.383 1.00 . A A . 57 ALA HB3 1 1 4 2730 1 1 38 ALA N N 4.113 3.718 -4.059 1.00 . A A . 57 ALA N 1 1 4 2731 1 1 38 ALA O O 7.553 4.139 -4.816 1.00 . A A . 57 ALA O 1 1 4 2732 1 1 39 ALA C C 7.787 6.456 -5.819 1.00 . A A . 58 ALA C 1 1 4 2733 1 1 39 ALA CA C 6.805 5.779 -6.781 1.00 . A A . 58 ALA CA 1 1 4 2734 1 1 39 ALA CB C 6.001 6.852 -7.513 1.00 . A A . 58 ALA CB 1 1 4 2735 1 1 39 ALA H H 4.934 4.819 -6.260 1.00 . A A . 58 ALA H 1 1 4 2736 1 1 39 ALA HA H 7.362 5.202 -7.503 1.00 . A A . 58 ALA HA 1 1 4 2737 1 1 39 ALA HB1 H 6.678 7.531 -8.010 1.00 . A A . 58 ALA HB1 1 1 4 2738 1 1 39 ALA HB2 H 5.401 7.399 -6.806 1.00 . A A . 58 ALA HB2 1 1 4 2739 1 1 39 ALA HB3 H 5.363 6.383 -8.246 1.00 . A A . 58 ALA HB3 1 1 4 2740 1 1 39 ALA N N 5.885 4.865 -6.029 1.00 . A A . 58 ALA N 1 1 4 2741 1 1 39 ALA O O 8.874 6.843 -6.202 1.00 . A A . 58 ALA O 1 1 4 2742 1 1 40 GLN C C 9.713 6.560 -3.675 1.00 . A A . 59 GLN C 1 1 4 2743 1 1 40 GLN CA C 8.344 7.245 -3.602 1.00 . A A . 59 GLN CA 1 1 4 2744 1 1 40 GLN CB C 7.754 7.107 -2.198 1.00 . A A . 59 GLN CB 1 1 4 2745 1 1 40 GLN CD C 6.348 8.392 -0.578 1.00 . A A . 59 GLN CD 1 1 4 2746 1 1 40 GLN CG C 6.599 8.098 -2.053 1.00 . A A . 59 GLN CG 1 1 4 2747 1 1 40 GLN H H 6.544 6.279 -4.281 1.00 . A A . 59 GLN H 1 1 4 2748 1 1 40 GLN HA H 8.451 8.292 -3.847 1.00 . A A . 59 GLN HA 1 1 4 2749 1 1 40 GLN HB2 H 7.388 6.100 -2.058 1.00 . A A . 59 GLN HB2 1 1 4 2750 1 1 40 GLN HB3 H 8.509 7.324 -1.460 1.00 . A A . 59 GLN HB3 1 1 4 2751 1 1 40 GLN HE21 H 7.160 6.694 0.050 1.00 . A A . 59 GLN HE21 1 1 4 2752 1 1 40 GLN HE22 H 6.562 7.707 1.273 1.00 . A A . 59 GLN HE22 1 1 4 2753 1 1 40 GLN HG2 H 6.849 9.017 -2.561 1.00 . A A . 59 GLN HG2 1 1 4 2754 1 1 40 GLN HG3 H 5.706 7.676 -2.490 1.00 . A A . 59 GLN HG3 1 1 4 2755 1 1 40 GLN N N 7.421 6.600 -4.576 1.00 . A A . 59 GLN N 1 1 4 2756 1 1 40 GLN NE2 N 6.722 7.525 0.323 1.00 . A A . 59 GLN NE2 1 1 4 2757 1 1 40 GLN O O 9.824 5.465 -4.188 1.00 . A A . 59 GLN O 1 1 4 2758 1 1 40 GLN OE1 O 5.802 9.423 -0.244 1.00 . A A . 59 GLN OE1 1 1 4 2759 1 1 41 PRO C C 12.276 5.582 -2.156 1.00 . A A . 60 PRO C 1 1 4 2760 1 1 41 PRO CA C 12.100 6.708 -3.183 1.00 . A A . 60 PRO CA 1 1 4 2761 1 1 41 PRO CB C 12.951 7.931 -2.830 1.00 . A A . 60 PRO CB 1 1 4 2762 1 1 41 PRO CD C 10.577 8.565 -2.541 1.00 . A A . 60 PRO CD 1 1 4 2763 1 1 41 PRO CG C 12.011 8.926 -2.109 1.00 . A A . 60 PRO CG 1 1 4 2764 1 1 41 PRO HA H 12.359 6.358 -4.169 1.00 . A A . 60 PRO HA 1 1 4 2765 1 1 41 PRO HB2 H 13.762 7.641 -2.175 1.00 . A A . 60 PRO HB2 1 1 4 2766 1 1 41 PRO HB3 H 13.340 8.385 -3.728 1.00 . A A . 60 PRO HB3 1 1 4 2767 1 1 41 PRO HD2 H 9.925 8.521 -1.677 1.00 . A A . 60 PRO HD2 1 1 4 2768 1 1 41 PRO HD3 H 10.207 9.279 -3.259 1.00 . A A . 60 PRO HD3 1 1 4 2769 1 1 41 PRO HG2 H 12.116 8.824 -1.038 1.00 . A A . 60 PRO HG2 1 1 4 2770 1 1 41 PRO HG3 H 12.238 9.937 -2.411 1.00 . A A . 60 PRO HG3 1 1 4 2771 1 1 41 PRO N N 10.719 7.230 -3.172 1.00 . A A . 60 PRO N 1 1 4 2772 1 1 41 PRO O O 11.404 5.312 -1.358 1.00 . A A . 60 PRO O 1 1 4 2773 1 1 42 ALA C C 14.010 4.372 0.153 1.00 . A A . 61 ALA C 1 1 4 2774 1 1 42 ALA CA C 13.629 3.800 -1.217 1.00 . A A . 61 ALA CA 1 1 4 2775 1 1 42 ALA CB C 14.761 2.907 -1.729 1.00 . A A . 61 ALA CB 1 1 4 2776 1 1 42 ALA H H 14.089 5.141 -2.839 1.00 . A A . 61 ALA H 1 1 4 2777 1 1 42 ALA HA H 12.726 3.215 -1.122 1.00 . A A . 61 ALA HA 1 1 4 2778 1 1 42 ALA HB1 H 14.777 2.931 -2.809 1.00 . A A . 61 ALA HB1 1 1 4 2779 1 1 42 ALA HB2 H 14.601 1.893 -1.394 1.00 . A A . 61 ALA HB2 1 1 4 2780 1 1 42 ALA HB3 H 15.705 3.267 -1.347 1.00 . A A . 61 ALA HB3 1 1 4 2781 1 1 42 ALA N N 13.400 4.914 -2.181 1.00 . A A . 61 ALA N 1 1 4 2782 1 1 42 ALA O O 14.501 5.480 0.244 1.00 . A A . 61 ALA O 1 1 4 2783 1 1 43 PRO C C 11.658 2.346 0.805 1.00 . A A . 62 PRO C 1 1 4 2784 1 1 43 PRO CA C 13.168 2.250 1.053 1.00 . A A . 62 PRO CA 1 1 4 2785 1 1 43 PRO CB C 13.460 1.599 2.408 1.00 . A A . 62 PRO CB 1 1 4 2786 1 1 43 PRO CD C 14.061 3.996 2.569 1.00 . A A . 62 PRO CD 1 1 4 2787 1 1 43 PRO CG C 13.690 2.759 3.407 1.00 . A A . 62 PRO CG 1 1 4 2788 1 1 43 PRO HA H 13.648 1.692 0.267 1.00 . A A . 62 PRO HA 1 1 4 2789 1 1 43 PRO HB2 H 12.617 0.997 2.720 1.00 . A A . 62 PRO HB2 1 1 4 2790 1 1 43 PRO HB3 H 14.349 0.992 2.346 1.00 . A A . 62 PRO HB3 1 1 4 2791 1 1 43 PRO HD2 H 13.456 4.843 2.859 1.00 . A A . 62 PRO HD2 1 1 4 2792 1 1 43 PRO HD3 H 15.111 4.224 2.674 1.00 . A A . 62 PRO HD3 1 1 4 2793 1 1 43 PRO HG2 H 12.784 2.946 3.969 1.00 . A A . 62 PRO HG2 1 1 4 2794 1 1 43 PRO HG3 H 14.499 2.516 4.078 1.00 . A A . 62 PRO HG3 1 1 4 2795 1 1 43 PRO N N 13.765 3.595 1.179 1.00 . A A . 62 PRO N 1 1 4 2796 1 1 43 PRO O O 10.956 1.354 0.787 1.00 . A A . 62 PRO O 1 1 4 2797 1 1 44 PHE C C 9.385 3.009 -0.984 1.00 . A A . 63 PHE C 1 1 4 2798 1 1 44 PHE CA C 9.695 3.696 0.341 1.00 . A A . 63 PHE CA 1 1 4 2799 1 1 44 PHE CB C 9.349 5.187 0.210 1.00 . A A . 63 PHE CB 1 1 4 2800 1 1 44 PHE CD1 C 10.533 5.660 2.356 1.00 . A A . 63 PHE CD1 1 1 4 2801 1 1 44 PHE CD2 C 11.011 7.072 0.456 1.00 . A A . 63 PHE CD2 1 1 4 2802 1 1 44 PHE CE1 C 11.437 6.392 3.129 1.00 . A A . 63 PHE CE1 1 1 4 2803 1 1 44 PHE CE2 C 11.920 7.806 1.226 1.00 . A A . 63 PHE CE2 1 1 4 2804 1 1 44 PHE CG C 10.318 6.000 1.028 1.00 . A A . 63 PHE CG 1 1 4 2805 1 1 44 PHE CZ C 12.132 7.467 2.566 1.00 . A A . 63 PHE CZ 1 1 4 2806 1 1 44 PHE H H 11.746 4.313 0.612 1.00 . A A . 63 PHE H 1 1 4 2807 1 1 44 PHE HA H 9.126 3.253 1.144 1.00 . A A . 63 PHE HA 1 1 4 2808 1 1 44 PHE HB2 H 9.409 5.485 -0.827 1.00 . A A . 63 PHE HB2 1 1 4 2809 1 1 44 PHE HB3 H 8.346 5.355 0.573 1.00 . A A . 63 PHE HB3 1 1 4 2810 1 1 44 PHE HD1 H 9.999 4.829 2.790 1.00 . A A . 63 PHE HD1 1 1 4 2811 1 1 44 PHE HD2 H 10.844 7.331 -0.576 1.00 . A A . 63 PHE HD2 1 1 4 2812 1 1 44 PHE HE1 H 11.584 6.132 4.167 1.00 . A A . 63 PHE HE1 1 1 4 2813 1 1 44 PHE HE2 H 12.457 8.634 0.787 1.00 . A A . 63 PHE HE2 1 1 4 2814 1 1 44 PHE HZ H 12.834 8.030 3.164 1.00 . A A . 63 PHE HZ 1 1 4 2815 1 1 44 PHE N N 11.158 3.533 0.603 1.00 . A A . 63 PHE N 1 1 4 2816 1 1 44 PHE O O 10.278 2.787 -1.778 1.00 . A A . 63 PHE O 1 1 4 2817 1 1 45 GLY C C 6.867 0.945 -2.629 1.00 . A A . 64 GLY C 1 1 4 2818 1 1 45 GLY CA C 7.929 2.055 -2.630 1.00 . A A . 64 GLY CA 1 1 4 2819 1 1 45 GLY H H 7.396 2.899 -0.652 1.00 . A A . 64 GLY H 1 1 4 2820 1 1 45 GLY HA2 H 8.866 1.634 -2.965 1.00 . A A . 64 GLY HA2 1 1 4 2821 1 1 45 GLY HA3 H 7.632 2.816 -3.321 1.00 . A A . 64 GLY HA3 1 1 4 2822 1 1 45 GLY N N 8.151 2.691 -1.281 1.00 . A A . 64 GLY N 1 1 4 2823 1 1 45 GLY O O 6.130 0.769 -1.692 1.00 . A A . 64 GLY O 1 1 4 2824 1 1 46 ILE C C 6.170 -2.041 -2.863 1.00 . A A . 65 ILE C 1 1 4 2825 1 1 46 ILE CA C 5.786 -0.903 -3.816 1.00 . A A . 65 ILE CA 1 1 4 2826 1 1 46 ILE CB C 5.739 -1.444 -5.271 1.00 . A A . 65 ILE CB 1 1 4 2827 1 1 46 ILE CD1 C 5.311 0.084 -7.215 1.00 . A A . 65 ILE CD1 1 1 4 2828 1 1 46 ILE CG1 C 4.654 -0.729 -6.096 1.00 . A A . 65 ILE CG1 1 1 4 2829 1 1 46 ILE CG2 C 5.433 -2.949 -5.286 1.00 . A A . 65 ILE CG2 1 1 4 2830 1 1 46 ILE H H 7.398 0.374 -4.462 1.00 . A A . 65 ILE H 1 1 4 2831 1 1 46 ILE HA H 4.815 -0.523 -3.547 1.00 . A A . 65 ILE HA 1 1 4 2832 1 1 46 ILE HB H 6.701 -1.280 -5.736 1.00 . A A . 65 ILE HB 1 1 4 2833 1 1 46 ILE HD11 H 6.303 0.381 -6.912 1.00 . A A . 65 ILE HD11 1 1 4 2834 1 1 46 ILE HD12 H 5.374 -0.521 -8.108 1.00 . A A . 65 ILE HD12 1 1 4 2835 1 1 46 ILE HD13 H 4.717 0.963 -7.418 1.00 . A A . 65 ILE HD13 1 1 4 2836 1 1 46 ILE HG12 H 4.009 -1.472 -6.539 1.00 . A A . 65 ILE HG12 1 1 4 2837 1 1 46 ILE HG13 H 4.062 -0.080 -5.463 1.00 . A A . 65 ILE HG13 1 1 4 2838 1 1 46 ILE HG21 H 4.624 -3.158 -4.601 1.00 . A A . 65 ILE HG21 1 1 4 2839 1 1 46 ILE HG22 H 5.148 -3.249 -6.283 1.00 . A A . 65 ILE HG22 1 1 4 2840 1 1 46 ILE HG23 H 6.313 -3.498 -4.982 1.00 . A A . 65 ILE HG23 1 1 4 2841 1 1 46 ILE N N 6.791 0.200 -3.713 1.00 . A A . 65 ILE N 1 1 4 2842 1 1 46 ILE O O 7.268 -2.558 -2.908 1.00 . A A . 65 ILE O 1 1 4 2843 1 1 47 VAL C C 4.704 -4.781 -1.510 1.00 . A A . 66 VAL C 1 1 4 2844 1 1 47 VAL CA C 5.566 -3.586 -1.102 1.00 . A A . 66 VAL CA 1 1 4 2845 1 1 47 VAL CB C 5.244 -3.195 0.341 1.00 . A A . 66 VAL CB 1 1 4 2846 1 1 47 VAL CG1 C 6.182 -3.940 1.292 1.00 . A A . 66 VAL CG1 1 1 4 2847 1 1 47 VAL CG2 C 5.432 -1.690 0.518 1.00 . A A . 66 VAL CG2 1 1 4 2848 1 1 47 VAL H H 4.372 -2.042 -2.019 1.00 . A A . 66 VAL H 1 1 4 2849 1 1 47 VAL HA H 6.610 -3.848 -1.185 1.00 . A A . 66 VAL HA 1 1 4 2850 1 1 47 VAL HB H 4.222 -3.463 0.566 1.00 . A A . 66 VAL HB 1 1 4 2851 1 1 47 VAL HG11 H 7.178 -3.960 0.873 1.00 . A A . 66 VAL HG11 1 1 4 2852 1 1 47 VAL HG12 H 6.204 -3.435 2.246 1.00 . A A . 66 VAL HG12 1 1 4 2853 1 1 47 VAL HG13 H 5.828 -4.952 1.428 1.00 . A A . 66 VAL HG13 1 1 4 2854 1 1 47 VAL HG21 H 6.185 -1.340 -0.174 1.00 . A A . 66 VAL HG21 1 1 4 2855 1 1 47 VAL HG22 H 4.498 -1.186 0.321 1.00 . A A . 66 VAL HG22 1 1 4 2856 1 1 47 VAL HG23 H 5.749 -1.483 1.530 1.00 . A A . 66 VAL HG23 1 1 4 2857 1 1 47 VAL N N 5.262 -2.457 -2.025 1.00 . A A . 66 VAL N 1 1 4 2858 1 1 47 VAL O O 3.840 -4.668 -2.361 1.00 . A A . 66 VAL O 1 1 4 2859 1 1 48 GLY C C 4.941 -8.055 -2.156 1.00 . A A . 67 GLY C 1 1 4 2860 1 1 48 GLY CA C 4.110 -7.115 -1.282 1.00 . A A . 67 GLY CA 1 1 4 2861 1 1 48 GLY H H 5.624 -5.994 -0.235 1.00 . A A . 67 GLY H 1 1 4 2862 1 1 48 GLY HA2 H 3.235 -6.797 -1.831 1.00 . A A . 67 GLY HA2 1 1 4 2863 1 1 48 GLY HA3 H 3.805 -7.630 -0.382 1.00 . A A . 67 GLY HA3 1 1 4 2864 1 1 48 GLY N N 4.925 -5.921 -0.918 1.00 . A A . 67 GLY N 1 1 4 2865 1 1 48 GLY O O 4.997 -9.246 -1.924 1.00 . A A . 67 GLY O 1 1 4 2866 1 1 49 SER C C 7.582 -7.580 -4.609 1.00 . A A . 68 SER C 1 1 4 2867 1 1 49 SER CA C 6.413 -8.392 -4.049 1.00 . A A . 68 SER CA 1 1 4 2868 1 1 49 SER CB C 5.552 -8.908 -5.202 1.00 . A A . 68 SER CB 1 1 4 2869 1 1 49 SER H H 5.527 -6.565 -3.331 1.00 . A A . 68 SER H 1 1 4 2870 1 1 49 SER HA H 6.795 -9.230 -3.483 1.00 . A A . 68 SER HA 1 1 4 2871 1 1 49 SER HB2 H 6.183 -9.192 -6.027 1.00 . A A . 68 SER HB2 1 1 4 2872 1 1 49 SER HB3 H 4.988 -9.771 -4.871 1.00 . A A . 68 SER HB3 1 1 4 2873 1 1 49 SER HG H 3.784 -8.104 -5.321 1.00 . A A . 68 SER HG 1 1 4 2874 1 1 49 SER N N 5.586 -7.529 -3.161 1.00 . A A . 68 SER N 1 1 4 2875 1 1 49 SER O O 7.433 -6.428 -4.969 1.00 . A A . 68 SER O 1 1 4 2876 1 1 49 SER OG O 4.667 -7.880 -5.623 1.00 . A A . 68 SER OG 1 1 4 2877 1 1 50 GLY C C 9.634 -6.986 -6.661 1.00 . A A . 69 GLY C 1 1 4 2878 1 1 50 GLY CA C 9.920 -7.428 -5.225 1.00 . A A . 69 GLY CA 1 1 4 2879 1 1 50 GLY H H 8.842 -9.098 -4.392 1.00 . A A . 69 GLY H 1 1 4 2880 1 1 50 GLY HA2 H 10.785 -8.073 -5.217 1.00 . A A . 69 GLY HA2 1 1 4 2881 1 1 50 GLY HA3 H 10.110 -6.561 -4.609 1.00 . A A . 69 GLY HA3 1 1 4 2882 1 1 50 GLY N N 8.743 -8.169 -4.688 1.00 . A A . 69 GLY N 1 1 4 2883 1 1 50 GLY O O 8.881 -6.041 -6.829 1.00 . A A . 69 GLY O 1 1 4 2884 1 1 50 GLY OXT O 10.172 -7.599 -7.567 1.00 . A A . 69 GLY OXT 1 1 5 2885 1 1 1 MET C C -4.160 -8.628 -10.310 1.00 . A A . 20 MET C 1 1 5 2886 1 1 1 MET CA C -5.408 -9.507 -10.415 1.00 . A A . 20 MET CA 1 1 5 2887 1 1 1 MET CB C -6.443 -9.052 -9.384 1.00 . A A . 20 MET CB 1 1 5 2888 1 1 1 MET CE C -9.050 -6.330 -10.495 1.00 . A A . 20 MET CE 1 1 5 2889 1 1 1 MET CG C -6.801 -7.585 -9.635 1.00 . A A . 20 MET CG 1 1 5 2890 1 1 1 MET H1 H -4.171 -11.162 -10.677 1.00 . A A . 20 MET H1 1 1 5 2891 1 1 1 MET H2 H -4.876 -11.062 -9.136 1.00 . A A . 20 MET H2 1 1 5 2892 1 1 1 MET H3 H -5.811 -11.550 -10.463 1.00 . A A . 20 MET H3 1 1 5 2893 1 1 1 MET HA H -5.826 -9.421 -11.407 1.00 . A A . 20 MET HA 1 1 5 2894 1 1 1 MET HB2 H -7.331 -9.660 -9.472 1.00 . A A . 20 MET HB2 1 1 5 2895 1 1 1 MET HB3 H -6.031 -9.154 -8.392 1.00 . A A . 20 MET HB3 1 1 5 2896 1 1 1 MET HE1 H -8.830 -6.881 -11.394 1.00 . A A . 20 MET HE1 1 1 5 2897 1 1 1 MET HE2 H -10.117 -6.170 -10.425 1.00 . A A . 20 MET HE2 1 1 5 2898 1 1 1 MET HE3 H -8.539 -5.377 -10.524 1.00 . A A . 20 MET HE3 1 1 5 2899 1 1 1 MET HG2 H -6.111 -6.949 -9.100 1.00 . A A . 20 MET HG2 1 1 5 2900 1 1 1 MET HG3 H -6.739 -7.375 -10.693 1.00 . A A . 20 MET HG3 1 1 5 2901 1 1 1 MET N N -5.039 -10.927 -10.153 1.00 . A A . 20 MET N 1 1 5 2902 1 1 1 MET O O -3.808 -7.921 -11.232 1.00 . A A . 20 MET O 1 1 5 2903 1 1 1 MET SD S -8.486 -7.269 -9.055 1.00 . A A . 20 MET SD 1 1 5 2904 1 1 2 GLY C C -2.484 -6.817 -7.903 1.00 . A A . 21 GLY C 1 1 5 2905 1 1 2 GLY CA C -2.266 -7.832 -9.027 1.00 . A A . 21 GLY CA 1 1 5 2906 1 1 2 GLY H H -3.791 -9.243 -8.458 1.00 . A A . 21 GLY H 1 1 5 2907 1 1 2 GLY HA2 H -2.063 -7.306 -9.948 1.00 . A A . 21 GLY HA2 1 1 5 2908 1 1 2 GLY HA3 H -1.427 -8.468 -8.782 1.00 . A A . 21 GLY HA3 1 1 5 2909 1 1 2 GLY N N -3.489 -8.666 -9.191 1.00 . A A . 21 GLY N 1 1 5 2910 1 1 2 GLY O O -3.532 -6.212 -7.797 1.00 . A A . 21 GLY O 1 1 5 2911 1 1 3 ASN C C -0.285 -5.095 -5.564 1.00 . A A . 22 ASN C 1 1 5 2912 1 1 3 ASN CA C -1.657 -5.651 -5.949 1.00 . A A . 22 ASN CA 1 1 5 2913 1 1 3 ASN CB C -2.281 -6.353 -4.740 1.00 . A A . 22 ASN CB 1 1 5 2914 1 1 3 ASN CG C -3.101 -5.345 -3.932 1.00 . A A . 22 ASN CG 1 1 5 2915 1 1 3 ASN H H -0.667 -7.125 -7.168 1.00 . A A . 22 ASN H 1 1 5 2916 1 1 3 ASN HA H -2.298 -4.841 -6.264 1.00 . A A . 22 ASN HA 1 1 5 2917 1 1 3 ASN HB2 H -2.923 -7.152 -5.080 1.00 . A A . 22 ASN HB2 1 1 5 2918 1 1 3 ASN HB3 H -1.498 -6.758 -4.116 1.00 . A A . 22 ASN HB3 1 1 5 2919 1 1 3 ASN HD21 H -2.724 -6.221 -2.190 1.00 . A A . 22 ASN HD21 1 1 5 2920 1 1 3 ASN HD22 H -3.708 -4.841 -2.110 1.00 . A A . 22 ASN HD22 1 1 5 2921 1 1 3 ASN N N -1.504 -6.626 -7.064 1.00 . A A . 22 ASN N 1 1 5 2922 1 1 3 ASN ND2 N -3.185 -5.481 -2.637 1.00 . A A . 22 ASN ND2 1 1 5 2923 1 1 3 ASN O O 0.695 -5.811 -5.514 1.00 . A A . 22 ASN O 1 1 5 2924 1 1 3 ASN OD1 O -3.673 -4.427 -4.485 1.00 . A A . 22 ASN OD1 1 1 5 2925 1 1 4 GLN C C 0.968 -2.522 -3.558 1.00 . A A . 23 GLN C 1 1 5 2926 1 1 4 GLN CA C 1.103 -3.221 -4.907 1.00 . A A . 23 GLN CA 1 1 5 2927 1 1 4 GLN CB C 1.521 -2.196 -5.955 1.00 . A A . 23 GLN CB 1 1 5 2928 1 1 4 GLN CD C 1.694 -1.794 -8.414 1.00 . A A . 23 GLN CD 1 1 5 2929 1 1 4 GLN CG C 1.604 -2.866 -7.327 1.00 . A A . 23 GLN CG 1 1 5 2930 1 1 4 GLN H H -1.009 -3.260 -5.334 1.00 . A A . 23 GLN H 1 1 5 2931 1 1 4 GLN HA H 1.851 -3.997 -4.840 1.00 . A A . 23 GLN HA 1 1 5 2932 1 1 4 GLN HB2 H 0.798 -1.399 -5.980 1.00 . A A . 23 GLN HB2 1 1 5 2933 1 1 4 GLN HB3 H 2.484 -1.794 -5.694 1.00 . A A . 23 GLN HB3 1 1 5 2934 1 1 4 GLN HE21 H 3.324 -2.569 -9.241 1.00 . A A . 23 GLN HE21 1 1 5 2935 1 1 4 GLN HE22 H 2.730 -1.164 -9.987 1.00 . A A . 23 GLN HE22 1 1 5 2936 1 1 4 GLN HG2 H 2.479 -3.497 -7.367 1.00 . A A . 23 GLN HG2 1 1 5 2937 1 1 4 GLN HG3 H 0.720 -3.465 -7.488 1.00 . A A . 23 GLN HG3 1 1 5 2938 1 1 4 GLN N N -0.206 -3.822 -5.289 1.00 . A A . 23 GLN N 1 1 5 2939 1 1 4 GLN NE2 N 2.663 -1.847 -9.286 1.00 . A A . 23 GLN NE2 1 1 5 2940 1 1 4 GLN O O -0.122 -2.164 -3.129 1.00 . A A . 23 GLN O 1 1 5 2941 1 1 4 GLN OE1 O 0.876 -0.898 -8.470 1.00 . A A . 23 GLN OE1 1 1 5 2942 1 1 5 GLN C C 2.889 -0.476 -1.415 1.00 . A A . 24 GLN C 1 1 5 2943 1 1 5 GLN CA C 1.942 -1.652 -1.554 1.00 . A A . 24 GLN CA 1 1 5 2944 1 1 5 GLN CB C 2.184 -2.660 -0.430 1.00 . A A . 24 GLN CB 1 1 5 2945 1 1 5 GLN CD C 0.649 -4.290 0.677 1.00 . A A . 24 GLN CD 1 1 5 2946 1 1 5 GLN CG C 0.913 -2.807 0.408 1.00 . A A . 24 GLN CG 1 1 5 2947 1 1 5 GLN H H 2.929 -2.613 -3.213 1.00 . A A . 24 GLN H 1 1 5 2948 1 1 5 GLN HA H 0.953 -1.262 -1.477 1.00 . A A . 24 GLN HA 1 1 5 2949 1 1 5 GLN HB2 H 2.449 -3.616 -0.857 1.00 . A A . 24 GLN HB2 1 1 5 2950 1 1 5 GLN HB3 H 2.989 -2.310 0.197 1.00 . A A . 24 GLN HB3 1 1 5 2951 1 1 5 GLN HE21 H -1.157 -3.975 1.438 1.00 . A A . 24 GLN HE21 1 1 5 2952 1 1 5 GLN HE22 H -0.664 -5.599 1.389 1.00 . A A . 24 GLN HE22 1 1 5 2953 1 1 5 GLN HG2 H 1.038 -2.286 1.347 1.00 . A A . 24 GLN HG2 1 1 5 2954 1 1 5 GLN HG3 H 0.076 -2.386 -0.129 1.00 . A A . 24 GLN HG3 1 1 5 2955 1 1 5 GLN N N 2.058 -2.320 -2.870 1.00 . A A . 24 GLN N 1 1 5 2956 1 1 5 GLN NE2 N -0.485 -4.651 1.213 1.00 . A A . 24 GLN NE2 1 1 5 2957 1 1 5 GLN O O 3.599 -0.108 -2.321 1.00 . A A . 24 GLN O 1 1 5 2958 1 1 5 GLN OE1 O 1.482 -5.128 0.397 1.00 . A A . 24 GLN OE1 1 1 5 2959 1 1 6 CYS C C 4.640 1.138 1.065 1.00 . A A . 25 CYS C 1 1 5 2960 1 1 6 CYS CA C 3.623 1.374 -0.042 1.00 . A A . 25 CYS CA 1 1 5 2961 1 1 6 CYS CB C 2.661 2.473 0.417 1.00 . A A . 25 CYS CB 1 1 5 2962 1 1 6 CYS H H 2.192 -0.120 0.392 1.00 . A A . 25 CYS H 1 1 5 2963 1 1 6 CYS HA H 4.121 1.679 -0.948 1.00 . A A . 25 CYS HA 1 1 5 2964 1 1 6 CYS HB2 H 2.400 2.301 1.454 1.00 . A A . 25 CYS HB2 1 1 5 2965 1 1 6 CYS HB3 H 3.121 3.450 0.302 1.00 . A A . 25 CYS HB3 1 1 5 2966 1 1 6 CYS N N 2.822 0.164 -0.286 1.00 . A A . 25 CYS N 1 1 5 2967 1 1 6 CYS O O 4.295 0.831 2.189 1.00 . A A . 25 CYS O 1 1 5 2968 1 1 6 CYS SG S 1.170 2.399 -0.586 1.00 . A A . 25 CYS SG 1 1 5 2969 1 1 7 ASN C C 6.920 2.689 2.371 1.00 . A A . 26 ASN C 1 1 5 2970 1 1 7 ASN CA C 6.909 1.287 1.826 1.00 . A A . 26 ASN CA 1 1 5 2971 1 1 7 ASN CB C 8.273 0.923 1.231 1.00 . A A . 26 ASN CB 1 1 5 2972 1 1 7 ASN CG C 9.361 1.147 2.283 1.00 . A A . 26 ASN CG 1 1 5 2973 1 1 7 ASN H H 6.114 1.708 -0.104 1.00 . A A . 26 ASN H 1 1 5 2974 1 1 7 ASN HA H 6.613 0.581 2.592 1.00 . A A . 26 ASN HA 1 1 5 2975 1 1 7 ASN HB2 H 8.268 -0.121 0.935 1.00 . A A . 26 ASN HB2 1 1 5 2976 1 1 7 ASN HB3 H 8.471 1.550 0.370 1.00 . A A . 26 ASN HB3 1 1 5 2977 1 1 7 ASN HD21 H 9.891 -0.766 2.345 1.00 . A A . 26 ASN HD21 1 1 5 2978 1 1 7 ASN HD22 H 10.764 0.262 3.377 1.00 . A A . 26 ASN HD22 1 1 5 2979 1 1 7 ASN N N 5.879 1.379 0.778 1.00 . A A . 26 ASN N 1 1 5 2980 1 1 7 ASN ND2 N 10.064 0.130 2.703 1.00 . A A . 26 ASN ND2 1 1 5 2981 1 1 7 ASN O O 7.737 3.512 2.014 1.00 . A A . 26 ASN O 1 1 5 2982 1 1 7 ASN OD1 O 9.573 2.258 2.728 1.00 . A A . 26 ASN OD1 1 1 5 2983 1 1 8 TRP C C 6.841 4.748 4.616 1.00 . A A . 27 TRP C 1 1 5 2984 1 1 8 TRP CA C 5.754 4.379 3.615 1.00 . A A . 27 TRP CA 1 1 5 2985 1 1 8 TRP CB C 4.387 4.509 4.289 1.00 . A A . 27 TRP CB 1 1 5 2986 1 1 8 TRP CD1 C 3.343 6.673 4.972 1.00 . A A . 27 TRP CD1 1 1 5 2987 1 1 8 TRP CD2 C 3.841 6.586 2.790 1.00 . A A . 27 TRP CD2 1 1 5 2988 1 1 8 TRP CE2 C 3.280 7.860 3.022 1.00 . A A . 27 TRP CE2 1 1 5 2989 1 1 8 TRP CE3 C 4.247 6.258 1.485 1.00 . A A . 27 TRP CE3 1 1 5 2990 1 1 8 TRP CG C 3.876 5.868 4.043 1.00 . A A . 27 TRP CG 1 1 5 2991 1 1 8 TRP CH2 C 3.537 8.444 0.702 1.00 . A A . 27 TRP CH2 1 1 5 2992 1 1 8 TRP CZ2 C 3.128 8.784 1.992 1.00 . A A . 27 TRP CZ2 1 1 5 2993 1 1 8 TRP CZ3 C 4.094 7.179 0.453 1.00 . A A . 27 TRP CZ3 1 1 5 2994 1 1 8 TRP H H 5.226 2.333 3.313 1.00 . A A . 27 TRP H 1 1 5 2995 1 1 8 TRP HA H 5.806 5.045 2.761 1.00 . A A . 27 TRP HA 1 1 5 2996 1 1 8 TRP HB2 H 3.697 3.789 3.879 1.00 . A A . 27 TRP HB2 1 1 5 2997 1 1 8 TRP HB3 H 4.493 4.352 5.359 1.00 . A A . 27 TRP HB3 1 1 5 2998 1 1 8 TRP HD1 H 3.220 6.422 6.010 1.00 . A A . 27 TRP HD1 1 1 5 2999 1 1 8 TRP HE1 H 2.584 8.635 4.830 1.00 . A A . 27 TRP HE1 1 1 5 3000 1 1 8 TRP HE3 H 4.676 5.282 1.270 1.00 . A A . 27 TRP HE3 1 1 5 3001 1 1 8 TRP HH2 H 3.426 9.152 -0.102 1.00 . A A . 27 TRP HH2 1 1 5 3002 1 1 8 TRP HZ2 H 2.699 9.755 2.190 1.00 . A A . 27 TRP HZ2 1 1 5 3003 1 1 8 TRP HZ3 H 4.409 6.910 -0.534 1.00 . A A . 27 TRP HZ3 1 1 5 3004 1 1 8 TRP N N 5.920 2.998 3.133 1.00 . A A . 27 TRP N 1 1 5 3005 1 1 8 TRP NE1 N 2.990 7.869 4.373 1.00 . A A . 27 TRP NE1 1 1 5 3006 1 1 8 TRP O O 6.711 4.498 5.797 1.00 . A A . 27 TRP O 1 1 5 3007 1 1 9 TYR C C 9.163 4.811 6.223 1.00 . A A . 28 TYR C 1 1 5 3008 1 1 9 TYR CA C 9.004 5.785 5.051 1.00 . A A . 28 TYR CA 1 1 5 3009 1 1 9 TYR CB C 8.732 7.187 5.601 1.00 . A A . 28 TYR CB 1 1 5 3010 1 1 9 TYR CD1 C 8.695 8.599 3.505 1.00 . A A . 28 TYR CD1 1 1 5 3011 1 1 9 TYR CD2 C 6.620 8.269 4.713 1.00 . A A . 28 TYR CD2 1 1 5 3012 1 1 9 TYR CE1 C 8.026 9.398 2.570 1.00 . A A . 28 TYR CE1 1 1 5 3013 1 1 9 TYR CE2 C 5.952 9.068 3.773 1.00 . A A . 28 TYR CE2 1 1 5 3014 1 1 9 TYR CG C 7.996 8.035 4.579 1.00 . A A . 28 TYR CG 1 1 5 3015 1 1 9 TYR CZ C 6.654 9.632 2.705 1.00 . A A . 28 TYR CZ 1 1 5 3016 1 1 9 TYR H H 7.948 5.576 3.184 1.00 . A A . 28 TYR H 1 1 5 3017 1 1 9 TYR HA H 9.914 5.795 4.492 1.00 . A A . 28 TYR HA 1 1 5 3018 1 1 9 TYR HB2 H 8.129 7.097 6.492 1.00 . A A . 28 TYR HB2 1 1 5 3019 1 1 9 TYR HB3 H 9.677 7.662 5.845 1.00 . A A . 28 TYR HB3 1 1 5 3020 1 1 9 TYR HD1 H 9.752 8.425 3.402 1.00 . A A . 28 TYR HD1 1 1 5 3021 1 1 9 TYR HD2 H 6.073 7.834 5.537 1.00 . A A . 28 TYR HD2 1 1 5 3022 1 1 9 TYR HE1 H 8.569 9.830 1.739 1.00 . A A . 28 TYR HE1 1 1 5 3023 1 1 9 TYR HE2 H 4.893 9.252 3.874 1.00 . A A . 28 TYR HE2 1 1 5 3024 1 1 9 TYR HH H 5.931 11.308 2.150 1.00 . A A . 28 TYR HH 1 1 5 3025 1 1 9 TYR N N 7.893 5.368 4.147 1.00 . A A . 28 TYR N 1 1 5 3026 1 1 9 TYR O O 9.536 5.197 7.314 1.00 . A A . 28 TYR O 1 1 5 3027 1 1 9 TYR OH O 5.993 10.422 1.788 1.00 . A A . 28 TYR OH 1 1 5 3028 1 1 10 GLY C C 7.653 2.154 7.636 1.00 . A A . 29 GLY C 1 1 5 3029 1 1 10 GLY CA C 9.033 2.566 7.119 1.00 . A A . 29 GLY CA 1 1 5 3030 1 1 10 GLY H H 8.592 3.266 5.127 1.00 . A A . 29 GLY H 1 1 5 3031 1 1 10 GLY HA2 H 9.597 3.011 7.925 1.00 . A A . 29 GLY HA2 1 1 5 3032 1 1 10 GLY HA3 H 9.556 1.695 6.753 1.00 . A A . 29 GLY HA3 1 1 5 3033 1 1 10 GLY N N 8.889 3.556 6.012 1.00 . A A . 29 GLY N 1 1 5 3034 1 1 10 GLY O O 7.486 1.831 8.796 1.00 . A A . 29 GLY O 1 1 5 3035 1 1 11 THR C C 4.521 1.230 6.021 1.00 . A A . 30 THR C 1 1 5 3036 1 1 11 THR CA C 5.298 1.749 7.230 1.00 . A A . 30 THR CA 1 1 5 3037 1 1 11 THR CB C 4.572 2.952 7.828 1.00 . A A . 30 THR CB 1 1 5 3038 1 1 11 THR CG2 C 3.610 2.477 8.918 1.00 . A A . 30 THR CG2 1 1 5 3039 1 1 11 THR H H 6.819 2.408 5.853 1.00 . A A . 30 THR H 1 1 5 3040 1 1 11 THR HA H 5.376 0.967 7.973 1.00 . A A . 30 THR HA 1 1 5 3041 1 1 11 THR HB H 4.014 3.453 7.054 1.00 . A A . 30 THR HB 1 1 5 3042 1 1 11 THR HG1 H 5.049 4.616 8.715 1.00 . A A . 30 THR HG1 1 1 5 3043 1 1 11 THR HG21 H 2.944 1.731 8.511 1.00 . A A . 30 THR HG21 1 1 5 3044 1 1 11 THR HG22 H 4.173 2.050 9.734 1.00 . A A . 30 THR HG22 1 1 5 3045 1 1 11 THR HG23 H 3.033 3.316 9.279 1.00 . A A . 30 THR HG23 1 1 5 3046 1 1 11 THR N N 6.663 2.151 6.786 1.00 . A A . 30 THR N 1 1 5 3047 1 1 11 THR O O 4.253 1.955 5.085 1.00 . A A . 30 THR O 1 1 5 3048 1 1 11 THR OG1 O 5.522 3.846 8.392 1.00 . A A . 30 THR OG1 1 1 5 3049 1 1 12 LEU C C 2.011 -0.069 4.792 1.00 . A A . 31 LEU C 1 1 5 3050 1 1 12 LEU CA C 3.442 -0.608 4.867 1.00 . A A . 31 LEU CA 1 1 5 3051 1 1 12 LEU CB C 3.406 -2.128 5.012 1.00 . A A . 31 LEU CB 1 1 5 3052 1 1 12 LEU CD1 C 3.577 -2.552 2.561 1.00 . A A . 31 LEU CD1 1 1 5 3053 1 1 12 LEU CD2 C 5.641 -2.105 3.893 1.00 . A A . 31 LEU CD2 1 1 5 3054 1 1 12 LEU CG C 4.258 -2.762 3.912 1.00 . A A . 31 LEU CG 1 1 5 3055 1 1 12 LEU H H 4.416 -0.589 6.788 1.00 . A A . 31 LEU H 1 1 5 3056 1 1 12 LEU HA H 3.961 -0.354 3.956 1.00 . A A . 31 LEU HA 1 1 5 3057 1 1 12 LEU HB2 H 3.798 -2.407 5.979 1.00 . A A . 31 LEU HB2 1 1 5 3058 1 1 12 LEU HB3 H 2.388 -2.474 4.921 1.00 . A A . 31 LEU HB3 1 1 5 3059 1 1 12 LEU HD11 H 2.617 -2.079 2.710 1.00 . A A . 31 LEU HD11 1 1 5 3060 1 1 12 LEU HD12 H 4.197 -1.921 1.940 1.00 . A A . 31 LEU HD12 1 1 5 3061 1 1 12 LEU HD13 H 3.435 -3.507 2.076 1.00 . A A . 31 LEU HD13 1 1 5 3062 1 1 12 LEU HD21 H 5.795 -1.564 4.815 1.00 . A A . 31 LEU HD21 1 1 5 3063 1 1 12 LEU HD22 H 6.400 -2.866 3.794 1.00 . A A . 31 LEU HD22 1 1 5 3064 1 1 12 LEU HD23 H 5.705 -1.422 3.059 1.00 . A A . 31 LEU HD23 1 1 5 3065 1 1 12 LEU HG H 4.361 -3.821 4.102 1.00 . A A . 31 LEU HG 1 1 5 3066 1 1 12 LEU N N 4.177 -0.024 6.026 1.00 . A A . 31 LEU N 1 1 5 3067 1 1 12 LEU O O 1.371 0.190 5.793 1.00 . A A . 31 LEU O 1 1 5 3068 1 1 13 TYR C C -0.435 0.008 2.102 1.00 . A A . 32 TYR C 1 1 5 3069 1 1 13 TYR CA C 0.121 0.598 3.402 1.00 . A A . 32 TYR CA 1 1 5 3070 1 1 13 TYR CB C 0.148 2.126 3.269 1.00 . A A . 32 TYR CB 1 1 5 3071 1 1 13 TYR CD1 C 1.277 2.736 5.439 1.00 . A A . 32 TYR CD1 1 1 5 3072 1 1 13 TYR CD2 C -1.024 3.416 5.092 1.00 . A A . 32 TYR CD2 1 1 5 3073 1 1 13 TYR CE1 C 1.264 3.341 6.700 1.00 . A A . 32 TYR CE1 1 1 5 3074 1 1 13 TYR CE2 C -1.036 4.020 6.354 1.00 . A A . 32 TYR CE2 1 1 5 3075 1 1 13 TYR CG C 0.133 2.772 4.634 1.00 . A A . 32 TYR CG 1 1 5 3076 1 1 13 TYR CZ C 0.108 3.983 7.158 1.00 . A A . 32 TYR CZ 1 1 5 3077 1 1 13 TYR H H 2.055 -0.136 2.811 1.00 . A A . 32 TYR H 1 1 5 3078 1 1 13 TYR HA H -0.500 0.309 4.237 1.00 . A A . 32 TYR HA 1 1 5 3079 1 1 13 TYR HB2 H 1.049 2.423 2.744 1.00 . A A . 32 TYR HB2 1 1 5 3080 1 1 13 TYR HB3 H -0.724 2.451 2.711 1.00 . A A . 32 TYR HB3 1 1 5 3081 1 1 13 TYR HD1 H 2.170 2.242 5.086 1.00 . A A . 32 TYR HD1 1 1 5 3082 1 1 13 TYR HD2 H -1.905 3.447 4.470 1.00 . A A . 32 TYR HD2 1 1 5 3083 1 1 13 TYR HE1 H 2.147 3.315 7.319 1.00 . A A . 32 TYR HE1 1 1 5 3084 1 1 13 TYR HE2 H -1.929 4.517 6.706 1.00 . A A . 32 TYR HE2 1 1 5 3085 1 1 13 TYR HH H -0.241 3.941 9.034 1.00 . A A . 32 TYR HH 1 1 5 3086 1 1 13 TYR N N 1.510 0.089 3.595 1.00 . A A . 32 TYR N 1 1 5 3087 1 1 13 TYR O O 0.307 -0.234 1.175 1.00 . A A . 32 TYR O 1 1 5 3088 1 1 13 TYR OH O 0.096 4.580 8.402 1.00 . A A . 32 TYR OH 1 1 5 3089 1 1 14 PRO C C -2.482 0.408 -0.179 1.00 . A A . 33 PRO C 1 1 5 3090 1 1 14 PRO CA C -2.386 -0.714 0.852 1.00 . A A . 33 PRO CA 1 1 5 3091 1 1 14 PRO CB C -3.767 -1.132 1.353 1.00 . A A . 33 PRO CB 1 1 5 3092 1 1 14 PRO CD C -2.638 0.113 3.173 1.00 . A A . 33 PRO CD 1 1 5 3093 1 1 14 PRO CG C -4.021 -0.322 2.648 1.00 . A A . 33 PRO CG 1 1 5 3094 1 1 14 PRO HA H -1.852 -1.563 0.457 1.00 . A A . 33 PRO HA 1 1 5 3095 1 1 14 PRO HB2 H -4.514 -0.897 0.606 1.00 . A A . 33 PRO HB2 1 1 5 3096 1 1 14 PRO HB3 H -3.778 -2.188 1.572 1.00 . A A . 33 PRO HB3 1 1 5 3097 1 1 14 PRO HD2 H -2.635 1.170 3.400 1.00 . A A . 33 PRO HD2 1 1 5 3098 1 1 14 PRO HD3 H -2.362 -0.463 4.042 1.00 . A A . 33 PRO HD3 1 1 5 3099 1 1 14 PRO HG2 H -4.627 0.545 2.428 1.00 . A A . 33 PRO HG2 1 1 5 3100 1 1 14 PRO HG3 H -4.510 -0.942 3.383 1.00 . A A . 33 PRO HG3 1 1 5 3101 1 1 14 PRO N N -1.723 -0.183 2.054 1.00 . A A . 33 PRO N 1 1 5 3102 1 1 14 PRO O O -2.800 1.528 0.157 1.00 . A A . 33 PRO O 1 1 5 3103 1 1 15 LEU C C -3.639 1.443 -2.983 1.00 . A A . 34 LEU C 1 1 5 3104 1 1 15 LEU CA C -2.238 1.234 -2.419 1.00 . A A . 34 LEU CA 1 1 5 3105 1 1 15 LEU CB C -1.233 0.929 -3.534 1.00 . A A . 34 LEU CB 1 1 5 3106 1 1 15 LEU CD1 C -1.811 2.916 -4.985 1.00 . A A . 34 LEU CD1 1 1 5 3107 1 1 15 LEU CD2 C -0.831 0.838 -5.986 1.00 . A A . 34 LEU CD2 1 1 5 3108 1 1 15 LEU CG C -1.754 1.383 -4.898 1.00 . A A . 34 LEU CG 1 1 5 3109 1 1 15 LEU H H -1.907 -0.758 -1.698 1.00 . A A . 34 LEU H 1 1 5 3110 1 1 15 LEU HA H -1.933 2.150 -1.937 1.00 . A A . 34 LEU HA 1 1 5 3111 1 1 15 LEU HB2 H -0.322 1.456 -3.320 1.00 . A A . 34 LEU HB2 1 1 5 3112 1 1 15 LEU HB3 H -1.039 -0.130 -3.559 1.00 . A A . 34 LEU HB3 1 1 5 3113 1 1 15 LEU HD11 H -0.931 3.334 -4.527 1.00 . A A . 34 LEU HD11 1 1 5 3114 1 1 15 LEU HD12 H -1.864 3.217 -6.021 1.00 . A A . 34 LEU HD12 1 1 5 3115 1 1 15 LEU HD13 H -2.681 3.282 -4.475 1.00 . A A . 34 LEU HD13 1 1 5 3116 1 1 15 LEU HD21 H -0.745 -0.233 -5.879 1.00 . A A . 34 LEU HD21 1 1 5 3117 1 1 15 LEU HD22 H -1.243 1.068 -6.954 1.00 . A A . 34 LEU HD22 1 1 5 3118 1 1 15 LEU HD23 H 0.145 1.288 -5.890 1.00 . A A . 34 LEU HD23 1 1 5 3119 1 1 15 LEU HG H -2.737 0.979 -5.034 1.00 . A A . 34 LEU HG 1 1 5 3120 1 1 15 LEU N N -2.185 0.144 -1.421 1.00 . A A . 34 LEU N 1 1 5 3121 1 1 15 LEU O O -4.324 0.531 -3.401 1.00 . A A . 34 LEU O 1 1 5 3122 1 1 16 CYS C C -5.041 3.414 -5.106 1.00 . A A . 35 CYS C 1 1 5 3123 1 1 16 CYS CA C -5.297 3.091 -3.636 1.00 . A A . 35 CYS CA 1 1 5 3124 1 1 16 CYS CB C -5.774 4.361 -2.954 1.00 . A A . 35 CYS CB 1 1 5 3125 1 1 16 CYS H H -3.379 3.365 -2.739 1.00 . A A . 35 CYS H 1 1 5 3126 1 1 16 CYS HA H -6.031 2.306 -3.537 1.00 . A A . 35 CYS HA 1 1 5 3127 1 1 16 CYS HB2 H -5.093 4.616 -2.156 1.00 . A A . 35 CYS HB2 1 1 5 3128 1 1 16 CYS HB3 H -5.786 5.158 -3.682 1.00 . A A . 35 CYS HB3 1 1 5 3129 1 1 16 CYS N N -4.003 2.681 -3.046 1.00 . A A . 35 CYS N 1 1 5 3130 1 1 16 CYS O O -4.576 4.486 -5.440 1.00 . A A . 35 CYS O 1 1 5 3131 1 1 16 CYS SG S -7.436 4.114 -2.283 1.00 . A A . 35 CYS SG 1 1 5 3132 1 1 17 VAL C C -6.141 3.686 -7.992 1.00 . A A . 36 VAL C 1 1 5 3133 1 1 17 VAL CA C -5.047 2.777 -7.425 1.00 . A A . 36 VAL CA 1 1 5 3134 1 1 17 VAL CB C -4.957 1.456 -8.192 1.00 . A A . 36 VAL CB 1 1 5 3135 1 1 17 VAL CG1 C -5.218 1.691 -9.683 1.00 . A A . 36 VAL CG1 1 1 5 3136 1 1 17 VAL CG2 C -3.545 0.886 -8.006 1.00 . A A . 36 VAL CG2 1 1 5 3137 1 1 17 VAL H H -5.670 1.644 -5.699 1.00 . A A . 36 VAL H 1 1 5 3138 1 1 17 VAL HA H -4.099 3.292 -7.508 1.00 . A A . 36 VAL HA 1 1 5 3139 1 1 17 VAL HB H -5.684 0.760 -7.801 1.00 . A A . 36 VAL HB 1 1 5 3140 1 1 17 VAL HG11 H -5.073 2.736 -9.915 1.00 . A A . 36 VAL HG11 1 1 5 3141 1 1 17 VAL HG12 H -4.532 1.094 -10.268 1.00 . A A . 36 VAL HG12 1 1 5 3142 1 1 17 VAL HG13 H -6.233 1.407 -9.920 1.00 . A A . 36 VAL HG13 1 1 5 3143 1 1 17 VAL HG21 H -2.912 1.632 -7.535 1.00 . A A . 36 VAL HG21 1 1 5 3144 1 1 17 VAL HG22 H -3.592 0.007 -7.381 1.00 . A A . 36 VAL HG22 1 1 5 3145 1 1 17 VAL HG23 H -3.134 0.622 -8.969 1.00 . A A . 36 VAL HG23 1 1 5 3146 1 1 17 VAL N N -5.311 2.504 -5.986 1.00 . A A . 36 VAL N 1 1 5 3147 1 1 17 VAL O O -5.869 4.566 -8.781 1.00 . A A . 36 VAL O 1 1 5 3148 1 1 18 THR C C -8.160 5.795 -7.481 1.00 . A A . 37 THR C 1 1 5 3149 1 1 18 THR CA C -8.429 4.435 -8.088 1.00 . A A . 37 THR CA 1 1 5 3150 1 1 18 THR CB C -9.813 3.930 -7.674 1.00 . A A . 37 THR CB 1 1 5 3151 1 1 18 THR CG2 C -10.389 3.050 -8.785 1.00 . A A . 37 THR CG2 1 1 5 3152 1 1 18 THR H H -7.581 2.828 -6.919 1.00 . A A . 37 THR H 1 1 5 3153 1 1 18 THR HA H -8.362 4.523 -9.163 1.00 . A A . 37 THR HA 1 1 5 3154 1 1 18 THR HB H -10.469 4.770 -7.509 1.00 . A A . 37 THR HB 1 1 5 3155 1 1 18 THR HG1 H -9.160 3.671 -5.861 1.00 . A A . 37 THR HG1 1 1 5 3156 1 1 18 THR HG21 H -9.616 2.403 -9.170 1.00 . A A . 37 THR HG21 1 1 5 3157 1 1 18 THR HG22 H -11.196 2.450 -8.388 1.00 . A A . 37 THR HG22 1 1 5 3158 1 1 18 THR HG23 H -10.765 3.675 -9.581 1.00 . A A . 37 THR HG23 1 1 5 3159 1 1 18 THR N N -7.368 3.521 -7.579 1.00 . A A . 37 THR N 1 1 5 3160 1 1 18 THR O O -8.353 6.819 -8.107 1.00 . A A . 37 THR O 1 1 5 3161 1 1 18 THR OG1 O -9.701 3.172 -6.477 1.00 . A A . 37 THR OG1 1 1 5 3162 1 1 19 THR C C -5.808 7.326 -5.899 1.00 . A A . 38 THR C 1 1 5 3163 1 1 19 THR CA C -7.304 7.110 -5.677 1.00 . A A . 38 THR CA 1 1 5 3164 1 1 19 THR CB C -7.625 7.142 -4.191 1.00 . A A . 38 THR CB 1 1 5 3165 1 1 19 THR CG2 C -7.103 8.460 -3.647 1.00 . A A . 38 THR CG2 1 1 5 3166 1 1 19 THR H H -7.459 4.977 -5.814 1.00 . A A . 38 THR H 1 1 5 3167 1 1 19 THR HA H -7.852 7.896 -6.181 1.00 . A A . 38 THR HA 1 1 5 3168 1 1 19 THR HB H -7.140 6.326 -3.688 1.00 . A A . 38 THR HB 1 1 5 3169 1 1 19 THR HG1 H -9.234 6.189 -3.651 1.00 . A A . 38 THR HG1 1 1 5 3170 1 1 19 THR HG21 H -6.781 9.071 -4.481 1.00 . A A . 38 THR HG21 1 1 5 3171 1 1 19 THR HG22 H -7.885 8.967 -3.105 1.00 . A A . 38 THR HG22 1 1 5 3172 1 1 19 THR HG23 H -6.265 8.272 -2.995 1.00 . A A . 38 THR HG23 1 1 5 3173 1 1 19 THR N N -7.653 5.815 -6.285 1.00 . A A . 38 THR N 1 1 5 3174 1 1 19 THR O O -5.136 8.026 -5.170 1.00 . A A . 38 THR O 1 1 5 3175 1 1 19 THR OG1 O -9.032 7.060 -4.004 1.00 . A A . 38 THR OG1 1 1 5 3176 1 1 20 THR C C -3.622 8.408 -7.522 1.00 . A A . 39 THR C 1 1 5 3177 1 1 20 THR CA C -3.864 6.924 -7.305 1.00 . A A . 39 THR CA 1 1 5 3178 1 1 20 THR CB C -3.548 6.179 -8.604 1.00 . A A . 39 THR CB 1 1 5 3179 1 1 20 THR CG2 C -4.563 6.571 -9.680 1.00 . A A . 39 THR CG2 1 1 5 3180 1 1 20 THR H H -5.882 6.227 -7.524 1.00 . A A . 39 THR H 1 1 5 3181 1 1 20 THR HA H -3.244 6.563 -6.511 1.00 . A A . 39 THR HA 1 1 5 3182 1 1 20 THR HB H -3.597 5.114 -8.435 1.00 . A A . 39 THR HB 1 1 5 3183 1 1 20 THR HG1 H -2.046 6.028 -9.830 1.00 . A A . 39 THR HG1 1 1 5 3184 1 1 20 THR HG21 H -5.433 7.008 -9.213 1.00 . A A . 39 THR HG21 1 1 5 3185 1 1 20 THR HG22 H -4.116 7.288 -10.352 1.00 . A A . 39 THR HG22 1 1 5 3186 1 1 20 THR HG23 H -4.855 5.692 -10.236 1.00 . A A . 39 THR HG23 1 1 5 3187 1 1 20 THR N N -5.302 6.748 -6.951 1.00 . A A . 39 THR N 1 1 5 3188 1 1 20 THR O O -2.507 8.885 -7.580 1.00 . A A . 39 THR O 1 1 5 3189 1 1 20 THR OG1 O -2.245 6.538 -9.041 1.00 . A A . 39 THR OG1 1 1 5 3190 1 1 21 ASN C C -4.465 11.298 -6.517 1.00 . A A . 40 ASN C 1 1 5 3191 1 1 21 ASN CA C -4.644 10.585 -7.865 1.00 . A A . 40 ASN CA 1 1 5 3192 1 1 21 ASN CB C -5.981 10.973 -8.478 1.00 . A A . 40 ASN CB 1 1 5 3193 1 1 21 ASN CG C -5.801 12.179 -9.404 1.00 . A A . 40 ASN CG 1 1 5 3194 1 1 21 ASN H H -5.559 8.687 -7.602 1.00 . A A . 40 ASN H 1 1 5 3195 1 1 21 ASN HA H -3.840 10.839 -8.538 1.00 . A A . 40 ASN HA 1 1 5 3196 1 1 21 ASN HB2 H -6.373 10.126 -9.038 1.00 . A A . 40 ASN HB2 1 1 5 3197 1 1 21 ASN HB3 H -6.666 11.224 -7.687 1.00 . A A . 40 ASN HB3 1 1 5 3198 1 1 21 ASN HD21 H -6.140 11.136 -11.059 1.00 . A A . 40 ASN HD21 1 1 5 3199 1 1 21 ASN HD22 H -5.816 12.787 -11.294 1.00 . A A . 40 ASN HD22 1 1 5 3200 1 1 21 ASN N N -4.693 9.125 -7.647 1.00 . A A . 40 ASN N 1 1 5 3201 1 1 21 ASN ND2 N -5.930 12.021 -10.693 1.00 . A A . 40 ASN ND2 1 1 5 3202 1 1 21 ASN O O -5.085 12.306 -6.246 1.00 . A A . 40 ASN O 1 1 5 3203 1 1 21 ASN OD1 O -5.540 13.275 -8.950 1.00 . A A . 40 ASN OD1 1 1 5 3204 1 1 22 GLY C C -3.701 10.337 -3.249 1.00 . A A . 41 GLY C 1 1 5 3205 1 1 22 GLY CA C -3.398 11.378 -4.332 1.00 . A A . 41 GLY CA 1 1 5 3206 1 1 22 GLY H H -3.154 9.956 -5.917 1.00 . A A . 41 GLY H 1 1 5 3207 1 1 22 GLY HA2 H -4.050 12.228 -4.204 1.00 . A A . 41 GLY HA2 1 1 5 3208 1 1 22 GLY HA3 H -2.367 11.695 -4.251 1.00 . A A . 41 GLY HA3 1 1 5 3209 1 1 22 GLY N N -3.628 10.766 -5.672 1.00 . A A . 41 GLY N 1 1 5 3210 1 1 22 GLY O O -3.756 9.151 -3.514 1.00 . A A . 41 GLY O 1 1 5 3211 1 1 23 TRP C C -5.698 9.393 -1.027 1.00 . A A . 42 TRP C 1 1 5 3212 1 1 23 TRP CA C -4.221 9.791 -0.944 1.00 . A A . 42 TRP CA 1 1 5 3213 1 1 23 TRP CB C -3.960 10.435 0.417 1.00 . A A . 42 TRP CB 1 1 5 3214 1 1 23 TRP CD1 C -1.449 10.804 0.477 1.00 . A A . 42 TRP CD1 1 1 5 3215 1 1 23 TRP CD2 C -2.127 9.164 1.851 1.00 . A A . 42 TRP CD2 1 1 5 3216 1 1 23 TRP CE2 C -0.728 9.269 2.008 1.00 . A A . 42 TRP CE2 1 1 5 3217 1 1 23 TRP CE3 C -2.808 8.196 2.603 1.00 . A A . 42 TRP CE3 1 1 5 3218 1 1 23 TRP CG C -2.564 10.154 0.881 1.00 . A A . 42 TRP CG 1 1 5 3219 1 1 23 TRP CH2 C -0.726 7.480 3.631 1.00 . A A . 42 TRP CH2 1 1 5 3220 1 1 23 TRP CZ2 C -0.028 8.439 2.889 1.00 . A A . 42 TRP CZ2 1 1 5 3221 1 1 23 TRP CZ3 C -2.114 7.360 3.485 1.00 . A A . 42 TRP CZ3 1 1 5 3222 1 1 23 TRP H H -3.868 11.723 -1.837 1.00 . A A . 42 TRP H 1 1 5 3223 1 1 23 TRP HA H -3.602 8.913 -1.055 1.00 . A A . 42 TRP HA 1 1 5 3224 1 1 23 TRP HB2 H -4.099 11.501 0.340 1.00 . A A . 42 TRP HB2 1 1 5 3225 1 1 23 TRP HB3 H -4.661 10.039 1.137 1.00 . A A . 42 TRP HB3 1 1 5 3226 1 1 23 TRP HD1 H -1.407 11.597 -0.245 1.00 . A A . 42 TRP HD1 1 1 5 3227 1 1 23 TRP HE1 H 0.558 10.590 1.036 1.00 . A A . 42 TRP HE1 1 1 5 3228 1 1 23 TRP HE3 H -3.872 8.090 2.494 1.00 . A A . 42 TRP HE3 1 1 5 3229 1 1 23 TRP HH2 H -0.197 6.830 4.315 1.00 . A A . 42 TRP HH2 1 1 5 3230 1 1 23 TRP HZ2 H 1.041 8.539 2.998 1.00 . A A . 42 TRP HZ2 1 1 5 3231 1 1 23 TRP HZ3 H -2.655 6.622 4.057 1.00 . A A . 42 TRP HZ3 1 1 5 3232 1 1 23 TRP N N -3.909 10.764 -2.033 1.00 . A A . 42 TRP N 1 1 5 3233 1 1 23 TRP NE1 N -0.362 10.286 1.148 1.00 . A A . 42 TRP NE1 1 1 5 3234 1 1 23 TRP O O -6.550 10.203 -1.335 1.00 . A A . 42 TRP O 1 1 5 3235 1 1 24 GLY C C -7.741 6.777 0.354 1.00 . A A . 43 GLY C 1 1 5 3236 1 1 24 GLY CA C -7.435 7.718 -0.812 1.00 . A A . 43 GLY CA 1 1 5 3237 1 1 24 GLY H H -5.310 7.517 -0.503 1.00 . A A . 43 GLY H 1 1 5 3238 1 1 24 GLY HA2 H -7.612 7.199 -1.741 1.00 . A A . 43 GLY HA2 1 1 5 3239 1 1 24 GLY HA3 H -8.079 8.583 -0.754 1.00 . A A . 43 GLY HA3 1 1 5 3240 1 1 24 GLY N N -6.011 8.156 -0.751 1.00 . A A . 43 GLY N 1 1 5 3241 1 1 24 GLY O O -6.948 6.612 1.260 1.00 . A A . 43 GLY O 1 1 5 3242 1 1 25 TRP C C -9.898 3.966 0.830 1.00 . A A . 44 TRP C 1 1 5 3243 1 1 25 TRP CA C -9.258 5.219 1.433 1.00 . A A . 44 TRP CA 1 1 5 3244 1 1 25 TRP CB C -10.260 5.896 2.367 1.00 . A A . 44 TRP CB 1 1 5 3245 1 1 25 TRP CD1 C -11.241 4.078 3.800 1.00 . A A . 44 TRP CD1 1 1 5 3246 1 1 25 TRP CD2 C -9.662 5.252 4.864 1.00 . A A . 44 TRP CD2 1 1 5 3247 1 1 25 TRP CE2 C -10.126 4.278 5.768 1.00 . A A . 44 TRP CE2 1 1 5 3248 1 1 25 TRP CE3 C -8.658 6.128 5.289 1.00 . A A . 44 TRP CE3 1 1 5 3249 1 1 25 TRP CG C -10.388 5.103 3.618 1.00 . A A . 44 TRP CG 1 1 5 3250 1 1 25 TRP CH2 C -8.620 5.043 7.473 1.00 . A A . 44 TRP CH2 1 1 5 3251 1 1 25 TRP CZ2 C -9.623 4.167 7.049 1.00 . A A . 44 TRP CZ2 1 1 5 3252 1 1 25 TRP CZ3 C -8.136 6.026 6.592 1.00 . A A . 44 TRP CZ3 1 1 5 3253 1 1 25 TRP H H -9.511 6.304 -0.409 1.00 . A A . 44 TRP H 1 1 5 3254 1 1 25 TRP HA H -8.373 4.946 1.990 1.00 . A A . 44 TRP HA 1 1 5 3255 1 1 25 TRP HB2 H -9.918 6.882 2.608 1.00 . A A . 44 TRP HB2 1 1 5 3256 1 1 25 TRP HB3 H -11.219 5.959 1.884 1.00 . A A . 44 TRP HB3 1 1 5 3257 1 1 25 TRP HD1 H -11.926 3.706 3.071 1.00 . A A . 44 TRP HD1 1 1 5 3258 1 1 25 TRP HE1 H -11.579 2.847 5.467 1.00 . A A . 44 TRP HE1 1 1 5 3259 1 1 25 TRP HE3 H -8.287 6.882 4.610 1.00 . A A . 44 TRP HE3 1 1 5 3260 1 1 25 TRP HH2 H -8.220 4.965 8.473 1.00 . A A . 44 TRP HH2 1 1 5 3261 1 1 25 TRP HZ2 H -10.012 3.404 7.705 1.00 . A A . 44 TRP HZ2 1 1 5 3262 1 1 25 TRP HZ3 H -7.362 6.705 6.916 1.00 . A A . 44 TRP HZ3 1 1 5 3263 1 1 25 TRP N N -8.890 6.155 0.334 1.00 . A A . 44 TRP N 1 1 5 3264 1 1 25 TRP NE1 N -11.084 3.589 5.078 1.00 . A A . 44 TRP NE1 1 1 5 3265 1 1 25 TRP O O -10.682 4.044 -0.096 1.00 . A A . 44 TRP O 1 1 5 3266 1 1 26 GLU C C -9.631 0.355 1.565 1.00 . A A . 45 GLU C 1 1 5 3267 1 1 26 GLU CA C -10.170 1.560 0.792 1.00 . A A . 45 GLU CA 1 1 5 3268 1 1 26 GLU CB C -9.798 1.426 -0.686 1.00 . A A . 45 GLU CB 1 1 5 3269 1 1 26 GLU CD C -10.580 -0.034 -2.557 1.00 . A A . 45 GLU CD 1 1 5 3270 1 1 26 GLU CG C -11.019 0.961 -1.481 1.00 . A A . 45 GLU CG 1 1 5 3271 1 1 26 GLU H H -8.941 2.765 2.090 1.00 . A A . 45 GLU H 1 1 5 3272 1 1 26 GLU HA H -11.245 1.599 0.890 1.00 . A A . 45 GLU HA 1 1 5 3273 1 1 26 GLU HB2 H -9.466 2.384 -1.061 1.00 . A A . 45 GLU HB2 1 1 5 3274 1 1 26 GLU HB3 H -9.003 0.703 -0.794 1.00 . A A . 45 GLU HB3 1 1 5 3275 1 1 26 GLU HG2 H -11.722 0.484 -0.815 1.00 . A A . 45 GLU HG2 1 1 5 3276 1 1 26 GLU HG3 H -11.488 1.812 -1.952 1.00 . A A . 45 GLU HG3 1 1 5 3277 1 1 26 GLU N N -9.575 2.811 1.343 1.00 . A A . 45 GLU N 1 1 5 3278 1 1 26 GLU O O -8.646 0.448 2.269 1.00 . A A . 45 GLU O 1 1 5 3279 1 1 26 GLU OE1 O -9.609 0.251 -3.239 1.00 . A A . 45 GLU OE1 1 1 5 3280 1 1 26 GLU OE2 O -11.221 -1.064 -2.681 1.00 . A A . 45 GLU OE2 1 1 5 3281 1 1 27 ASP C C -9.967 -1.763 3.673 1.00 . A A . 46 ASP C 1 1 5 3282 1 1 27 ASP CA C -9.786 -1.983 2.172 1.00 . A A . 46 ASP CA 1 1 5 3283 1 1 27 ASP CB C -8.307 -2.194 1.873 1.00 . A A . 46 ASP CB 1 1 5 3284 1 1 27 ASP CG C -8.020 -3.689 1.729 1.00 . A A . 46 ASP CG 1 1 5 3285 1 1 27 ASP H H -11.063 -0.836 0.869 1.00 . A A . 46 ASP H 1 1 5 3286 1 1 27 ASP HA H -10.349 -2.850 1.860 1.00 . A A . 46 ASP HA 1 1 5 3287 1 1 27 ASP HB2 H -8.053 -1.686 0.956 1.00 . A A . 46 ASP HB2 1 1 5 3288 1 1 27 ASP HB3 H -7.720 -1.792 2.683 1.00 . A A . 46 ASP HB3 1 1 5 3289 1 1 27 ASP N N -10.269 -0.779 1.441 1.00 . A A . 46 ASP N 1 1 5 3290 1 1 27 ASP O O -9.238 -2.300 4.484 1.00 . A A . 46 ASP O 1 1 5 3291 1 1 27 ASP OD1 O -8.616 -4.306 0.861 1.00 . A A . 46 ASP OD1 1 1 5 3292 1 1 27 ASP OD2 O -7.210 -4.193 2.490 1.00 . A A . 46 ASP OD2 1 1 5 3293 1 1 28 GLN C C -9.904 -0.089 6.094 1.00 . A A . 47 GLN C 1 1 5 3294 1 1 28 GLN CA C -11.164 -0.708 5.488 1.00 . A A . 47 GLN CA 1 1 5 3295 1 1 28 GLN CB C -11.488 -2.024 6.189 1.00 . A A . 47 GLN CB 1 1 5 3296 1 1 28 GLN CD C -12.610 -3.060 8.166 1.00 . A A . 47 GLN CD 1 1 5 3297 1 1 28 GLN CG C -12.375 -1.753 7.405 1.00 . A A . 47 GLN CG 1 1 5 3298 1 1 28 GLN H H -11.500 -0.557 3.374 1.00 . A A . 47 GLN H 1 1 5 3299 1 1 28 GLN HA H -11.993 -0.025 5.600 1.00 . A A . 47 GLN HA 1 1 5 3300 1 1 28 GLN HB2 H -12.007 -2.671 5.497 1.00 . A A . 47 GLN HB2 1 1 5 3301 1 1 28 GLN HB3 H -10.572 -2.496 6.507 1.00 . A A . 47 GLN HB3 1 1 5 3302 1 1 28 GLN HE21 H -10.901 -2.949 9.169 1.00 . A A . 47 GLN HE21 1 1 5 3303 1 1 28 GLN HE22 H -11.856 -4.309 9.511 1.00 . A A . 47 GLN HE22 1 1 5 3304 1 1 28 GLN HG2 H -11.888 -1.041 8.055 1.00 . A A . 47 GLN HG2 1 1 5 3305 1 1 28 GLN HG3 H -13.323 -1.354 7.078 1.00 . A A . 47 GLN HG3 1 1 5 3306 1 1 28 GLN N N -10.931 -0.974 4.045 1.00 . A A . 47 GLN N 1 1 5 3307 1 1 28 GLN NE2 N -11.715 -3.473 9.020 1.00 . A A . 47 GLN NE2 1 1 5 3308 1 1 28 GLN O O -9.733 -0.048 7.296 1.00 . A A . 47 GLN O 1 1 5 3309 1 1 28 GLN OE1 O -13.619 -3.710 7.981 1.00 . A A . 47 GLN OE1 1 1 5 3310 1 1 29 ARG C C -7.341 2.125 4.805 1.00 . A A . 48 ARG C 1 1 5 3311 1 1 29 ARG CA C -7.773 1.023 5.772 1.00 . A A . 48 ARG CA 1 1 5 3312 1 1 29 ARG CB C -6.674 -0.037 5.865 1.00 . A A . 48 ARG CB 1 1 5 3313 1 1 29 ARG CD C -5.531 -1.639 7.405 1.00 . A A . 48 ARG CD 1 1 5 3314 1 1 29 ARG CG C -6.756 -0.741 7.221 1.00 . A A . 48 ARG CG 1 1 5 3315 1 1 29 ARG CZ C -3.610 -1.036 8.751 1.00 . A A . 48 ARG CZ 1 1 5 3316 1 1 29 ARG H H -9.191 0.354 4.298 1.00 . A A . 48 ARG H 1 1 5 3317 1 1 29 ARG HA H -7.952 1.448 6.748 1.00 . A A . 48 ARG HA 1 1 5 3318 1 1 29 ARG HB2 H -6.804 -0.761 5.074 1.00 . A A . 48 ARG HB2 1 1 5 3319 1 1 29 ARG HB3 H -5.708 0.437 5.766 1.00 . A A . 48 ARG HB3 1 1 5 3320 1 1 29 ARG HD2 H -5.702 -2.317 8.228 1.00 . A A . 48 ARG HD2 1 1 5 3321 1 1 29 ARG HD3 H -5.361 -2.205 6.500 1.00 . A A . 48 ARG HD3 1 1 5 3322 1 1 29 ARG HE H -4.097 -0.061 7.092 1.00 . A A . 48 ARG HE 1 1 5 3323 1 1 29 ARG HG2 H -6.784 -0.003 8.008 1.00 . A A . 48 ARG HG2 1 1 5 3324 1 1 29 ARG HG3 H -7.650 -1.345 7.259 1.00 . A A . 48 ARG HG3 1 1 5 3325 1 1 29 ARG HH11 H -3.745 -3.028 8.581 1.00 . A A . 48 ARG HH11 1 1 5 3326 1 1 29 ARG HH12 H -2.814 -2.452 9.923 1.00 . A A . 48 ARG HH12 1 1 5 3327 1 1 29 ARG HH21 H -3.305 0.897 9.170 1.00 . A A . 48 ARG HH21 1 1 5 3328 1 1 29 ARG HH22 H -2.565 -0.230 10.256 1.00 . A A . 48 ARG HH22 1 1 5 3329 1 1 29 ARG N N -9.026 0.397 5.263 1.00 . A A . 48 ARG N 1 1 5 3330 1 1 29 ARG NE N -4.338 -0.796 7.694 1.00 . A A . 48 ARG NE 1 1 5 3331 1 1 29 ARG NH1 N -3.372 -2.268 9.114 1.00 . A A . 48 ARG NH1 1 1 5 3332 1 1 29 ARG NH2 N -3.122 -0.047 9.446 1.00 . A A . 48 ARG NH2 1 1 5 3333 1 1 29 ARG O O -7.646 2.085 3.629 1.00 . A A . 48 ARG O 1 1 5 3334 1 1 30 SER C C -5.321 3.640 3.266 1.00 . A A . 49 SER C 1 1 5 3335 1 1 30 SER CA C -6.193 4.212 4.385 1.00 . A A . 49 SER CA 1 1 5 3336 1 1 30 SER CB C -5.383 5.233 5.185 1.00 . A A . 49 SER CB 1 1 5 3337 1 1 30 SER H H -6.402 3.130 6.236 1.00 . A A . 49 SER H 1 1 5 3338 1 1 30 SER HA H -7.060 4.696 3.956 1.00 . A A . 49 SER HA 1 1 5 3339 1 1 30 SER HB2 H -4.647 5.690 4.547 1.00 . A A . 49 SER HB2 1 1 5 3340 1 1 30 SER HB3 H -6.044 5.995 5.571 1.00 . A A . 49 SER HB3 1 1 5 3341 1 1 30 SER HG H -4.212 5.224 6.739 1.00 . A A . 49 SER HG 1 1 5 3342 1 1 30 SER N N -6.636 3.111 5.285 1.00 . A A . 49 SER N 1 1 5 3343 1 1 30 SER O O -4.453 2.821 3.499 1.00 . A A . 49 SER O 1 1 5 3344 1 1 30 SER OG O -4.724 4.571 6.257 1.00 . A A . 49 SER OG 1 1 5 3345 1 1 31 CYS C C -3.910 4.717 0.328 1.00 . A A . 50 CYS C 1 1 5 3346 1 1 31 CYS CA C -4.713 3.560 0.922 1.00 . A A . 50 CYS CA 1 1 5 3347 1 1 31 CYS CB C -5.623 2.956 -0.154 1.00 . A A . 50 CYS CB 1 1 5 3348 1 1 31 CYS H H -6.237 4.737 1.891 1.00 . A A . 50 CYS H 1 1 5 3349 1 1 31 CYS HA H -4.035 2.802 1.286 1.00 . A A . 50 CYS HA 1 1 5 3350 1 1 31 CYS HB2 H -5.105 2.960 -1.103 1.00 . A A . 50 CYS HB2 1 1 5 3351 1 1 31 CYS HB3 H -5.871 1.940 0.115 1.00 . A A . 50 CYS HB3 1 1 5 3352 1 1 31 CYS N N -5.538 4.071 2.055 1.00 . A A . 50 CYS N 1 1 5 3353 1 1 31 CYS O O -4.347 5.850 0.325 1.00 . A A . 50 CYS O 1 1 5 3354 1 1 31 CYS SG S -7.140 3.933 -0.293 1.00 . A A . 50 CYS SG 1 1 5 3355 1 1 32 ILE C C -1.879 5.400 -2.274 1.00 . A A . 51 ILE C 1 1 5 3356 1 1 32 ILE CA C -1.906 5.534 -0.750 1.00 . A A . 51 ILE CA 1 1 5 3357 1 1 32 ILE CB C -0.493 5.445 -0.172 1.00 . A A . 51 ILE CB 1 1 5 3358 1 1 32 ILE CD1 C 0.899 5.949 1.819 1.00 . A A . 51 ILE CD1 1 1 5 3359 1 1 32 ILE CG1 C -0.455 6.187 1.149 1.00 . A A . 51 ILE CG1 1 1 5 3360 1 1 32 ILE CG2 C 0.509 6.107 -1.103 1.00 . A A . 51 ILE CG2 1 1 5 3361 1 1 32 ILE H H -2.393 3.530 -0.152 1.00 . A A . 51 ILE H 1 1 5 3362 1 1 32 ILE HA H -2.339 6.488 -0.487 1.00 . A A . 51 ILE HA 1 1 5 3363 1 1 32 ILE HB H -0.224 4.411 -0.016 1.00 . A A . 51 ILE HB 1 1 5 3364 1 1 32 ILE HD11 H 1.412 5.144 1.313 1.00 . A A . 51 ILE HD11 1 1 5 3365 1 1 32 ILE HD12 H 1.494 6.848 1.759 1.00 . A A . 51 ILE HD12 1 1 5 3366 1 1 32 ILE HD13 H 0.749 5.685 2.855 1.00 . A A . 51 ILE HD13 1 1 5 3367 1 1 32 ILE HG12 H -0.585 7.241 0.951 1.00 . A A . 51 ILE HG12 1 1 5 3368 1 1 32 ILE HG13 H -1.247 5.834 1.789 1.00 . A A . 51 ILE HG13 1 1 5 3369 1 1 32 ILE HG21 H 0.231 7.144 -1.244 1.00 . A A . 51 ILE HG21 1 1 5 3370 1 1 32 ILE HG22 H 1.492 6.051 -0.652 1.00 . A A . 51 ILE HG22 1 1 5 3371 1 1 32 ILE HG23 H 0.509 5.595 -2.054 1.00 . A A . 51 ILE HG23 1 1 5 3372 1 1 32 ILE N N -2.734 4.446 -0.168 1.00 . A A . 51 ILE N 1 1 5 3373 1 1 32 ILE O O -1.621 4.344 -2.814 1.00 . A A . 51 ILE O 1 1 5 3374 1 1 33 ALA C C -1.032 5.594 -5.007 1.00 . A A . 52 ALA C 1 1 5 3375 1 1 33 ALA CA C -2.183 6.437 -4.451 1.00 . A A . 52 ALA CA 1 1 5 3376 1 1 33 ALA CB C -2.086 7.857 -4.985 1.00 . A A . 52 ALA CB 1 1 5 3377 1 1 33 ALA H H -2.370 7.305 -2.486 1.00 . A A . 52 ALA H 1 1 5 3378 1 1 33 ALA HA H -3.118 6.005 -4.768 1.00 . A A . 52 ALA HA 1 1 5 3379 1 1 33 ALA HB1 H -3.073 8.194 -5.257 1.00 . A A . 52 ALA HB1 1 1 5 3380 1 1 33 ALA HB2 H -1.443 7.873 -5.854 1.00 . A A . 52 ALA HB2 1 1 5 3381 1 1 33 ALA HB3 H -1.680 8.503 -4.221 1.00 . A A . 52 ALA HB3 1 1 5 3382 1 1 33 ALA N N -2.159 6.470 -2.959 1.00 . A A . 52 ALA N 1 1 5 3383 1 1 33 ALA O O -0.119 5.240 -4.306 1.00 . A A . 52 ALA O 1 1 5 3384 1 1 34 ARG C C 1.346 5.000 -6.719 1.00 . A A . 53 ARG C 1 1 5 3385 1 1 34 ARG CA C -0.039 4.393 -6.885 1.00 . A A . 53 ARG CA 1 1 5 3386 1 1 34 ARG CB C -0.328 4.246 -8.380 1.00 . A A . 53 ARG CB 1 1 5 3387 1 1 34 ARG CD C -0.327 2.561 -10.220 1.00 . A A . 53 ARG CD 1 1 5 3388 1 1 34 ARG CG C -0.562 2.780 -8.724 1.00 . A A . 53 ARG CG 1 1 5 3389 1 1 34 ARG CZ C 0.974 0.703 -11.070 1.00 . A A . 53 ARG CZ 1 1 5 3390 1 1 34 ARG H H -1.855 5.531 -6.811 1.00 . A A . 53 ARG H 1 1 5 3391 1 1 34 ARG HA H -0.054 3.418 -6.420 1.00 . A A . 53 ARG HA 1 1 5 3392 1 1 34 ARG HB2 H -1.209 4.814 -8.631 1.00 . A A . 53 ARG HB2 1 1 5 3393 1 1 34 ARG HB3 H 0.513 4.616 -8.946 1.00 . A A . 53 ARG HB3 1 1 5 3394 1 1 34 ARG HD2 H -1.138 1.978 -10.630 1.00 . A A . 53 ARG HD2 1 1 5 3395 1 1 34 ARG HD3 H -0.281 3.517 -10.720 1.00 . A A . 53 ARG HD3 1 1 5 3396 1 1 34 ARG HE H 1.792 2.204 -10.061 1.00 . A A . 53 ARG HE 1 1 5 3397 1 1 34 ARG HG2 H 0.120 2.165 -8.158 1.00 . A A . 53 ARG HG2 1 1 5 3398 1 1 34 ARG HG3 H -1.578 2.516 -8.479 1.00 . A A . 53 ARG HG3 1 1 5 3399 1 1 34 ARG HH11 H -0.569 -0.076 -10.059 1.00 . A A . 53 ARG HH11 1 1 5 3400 1 1 34 ARG HH12 H 0.118 -1.095 -11.279 1.00 . A A . 53 ARG HH12 1 1 5 3401 1 1 34 ARG HH21 H 2.520 1.218 -12.233 1.00 . A A . 53 ARG HH21 1 1 5 3402 1 1 34 ARG HH22 H 1.867 -0.363 -12.510 1.00 . A A . 53 ARG HH22 1 1 5 3403 1 1 34 ARG N N -1.094 5.251 -6.270 1.00 . A A . 53 ARG N 1 1 5 3404 1 1 34 ARG NE N 0.958 1.833 -10.419 1.00 . A A . 53 ARG NE 1 1 5 3405 1 1 34 ARG NH1 N 0.107 -0.229 -10.780 1.00 . A A . 53 ARG NH1 1 1 5 3406 1 1 34 ARG NH2 N 1.855 0.505 -12.011 1.00 . A A . 53 ARG NH2 1 1 5 3407 1 1 34 ARG O O 2.121 4.559 -5.912 1.00 . A A . 53 ARG O 1 1 5 3408 1 1 35 SER C C 3.249 7.039 -5.921 1.00 . A A . 54 SER C 1 1 5 3409 1 1 35 SER CA C 3.061 6.515 -7.342 1.00 . A A . 54 SER CA 1 1 5 3410 1 1 35 SER CB C 3.294 7.637 -8.354 1.00 . A A . 54 SER CB 1 1 5 3411 1 1 35 SER H H 1.106 6.319 -8.167 1.00 . A A . 54 SER H 1 1 5 3412 1 1 35 SER HA H 3.758 5.707 -7.519 1.00 . A A . 54 SER HA 1 1 5 3413 1 1 35 SER HB2 H 4.030 8.324 -7.971 1.00 . A A . 54 SER HB2 1 1 5 3414 1 1 35 SER HB3 H 3.650 7.213 -9.284 1.00 . A A . 54 SER HB3 1 1 5 3415 1 1 35 SER HG H 1.848 8.795 -7.762 1.00 . A A . 54 SER HG 1 1 5 3416 1 1 35 SER N N 1.702 5.973 -7.489 1.00 . A A . 54 SER N 1 1 5 3417 1 1 35 SER O O 4.221 6.721 -5.265 1.00 . A A . 54 SER O 1 1 5 3418 1 1 35 SER OG O 2.074 8.333 -8.572 1.00 . A A . 54 SER OG 1 1 5 3419 1 1 36 THR C C 2.808 7.117 -3.153 1.00 . A A . 55 THR C 1 1 5 3420 1 1 36 THR CA C 2.505 8.318 -4.027 1.00 . A A . 55 THR CA 1 1 5 3421 1 1 36 THR CB C 1.233 8.984 -3.524 1.00 . A A . 55 THR CB 1 1 5 3422 1 1 36 THR CG2 C 1.408 9.356 -2.047 1.00 . A A . 55 THR CG2 1 1 5 3423 1 1 36 THR H H 1.538 8.067 -5.940 1.00 . A A . 55 THR H 1 1 5 3424 1 1 36 THR HA H 3.318 9.015 -3.985 1.00 . A A . 55 THR HA 1 1 5 3425 1 1 36 THR HB H 0.416 8.297 -3.619 1.00 . A A . 55 THR HB 1 1 5 3426 1 1 36 THR HG1 H 0.916 9.896 -5.212 1.00 . A A . 55 THR HG1 1 1 5 3427 1 1 36 THR HG21 H 2.209 8.765 -1.612 1.00 . A A . 55 THR HG21 1 1 5 3428 1 1 36 THR HG22 H 1.652 10.406 -1.968 1.00 . A A . 55 THR HG22 1 1 5 3429 1 1 36 THR HG23 H 0.489 9.161 -1.515 1.00 . A A . 55 THR HG23 1 1 5 3430 1 1 36 THR N N 2.332 7.824 -5.418 1.00 . A A . 55 THR N 1 1 5 3431 1 1 36 THR O O 3.461 7.215 -2.148 1.00 . A A . 55 THR O 1 1 5 3432 1 1 36 THR OG1 O 0.971 10.152 -4.288 1.00 . A A . 55 THR OG1 1 1 5 3433 1 1 37 CYS C C 3.982 4.257 -3.007 1.00 . A A . 56 CYS C 1 1 5 3434 1 1 37 CYS CA C 2.569 4.739 -2.770 1.00 . A A . 56 CYS CA 1 1 5 3435 1 1 37 CYS CB C 1.588 3.635 -3.260 1.00 . A A . 56 CYS CB 1 1 5 3436 1 1 37 CYS H H 1.810 5.940 -4.378 1.00 . A A . 56 CYS H 1 1 5 3437 1 1 37 CYS HA H 2.439 4.924 -1.714 1.00 . A A . 56 CYS HA 1 1 5 3438 1 1 37 CYS HB2 H 0.584 3.910 -3.061 1.00 . A A . 56 CYS HB2 1 1 5 3439 1 1 37 CYS HB3 H 1.691 3.483 -4.316 1.00 . A A . 56 CYS HB3 1 1 5 3440 1 1 37 CYS N N 2.329 5.980 -3.551 1.00 . A A . 56 CYS N 1 1 5 3441 1 1 37 CYS O O 4.849 4.338 -2.160 1.00 . A A . 56 CYS O 1 1 5 3442 1 1 37 CYS SG S 1.924 2.089 -2.422 1.00 . A A . 56 CYS SG 1 1 5 3443 1 1 38 ALA C C 6.382 4.092 -5.241 1.00 . A A . 57 ALA C 1 1 5 3444 1 1 38 ALA CA C 5.467 3.111 -4.486 1.00 . A A . 57 ALA CA 1 1 5 3445 1 1 38 ALA CB C 5.108 1.930 -5.339 1.00 . A A . 57 ALA CB 1 1 5 3446 1 1 38 ALA H H 3.443 3.608 -4.762 1.00 . A A . 57 ALA H 1 1 5 3447 1 1 38 ALA HA H 5.955 2.765 -3.595 1.00 . A A . 57 ALA HA 1 1 5 3448 1 1 38 ALA HB1 H 4.782 2.285 -6.313 1.00 . A A . 57 ALA HB1 1 1 5 3449 1 1 38 ALA HB2 H 4.284 1.394 -4.852 1.00 . A A . 57 ALA HB2 1 1 5 3450 1 1 38 ALA HB3 H 5.960 1.278 -5.441 1.00 . A A . 57 ALA HB3 1 1 5 3451 1 1 38 ALA N N 4.178 3.695 -4.136 1.00 . A A . 57 ALA N 1 1 5 3452 1 1 38 ALA O O 7.575 4.127 -5.018 1.00 . A A . 57 ALA O 1 1 5 3453 1 1 39 ALA C C 7.683 6.525 -5.913 1.00 . A A . 58 ALA C 1 1 5 3454 1 1 39 ALA CA C 6.742 5.820 -6.892 1.00 . A A . 58 ALA CA 1 1 5 3455 1 1 39 ALA CB C 5.901 6.863 -7.631 1.00 . A A . 58 ALA CB 1 1 5 3456 1 1 39 ALA H H 4.896 4.839 -6.332 1.00 . A A . 58 ALA H 1 1 5 3457 1 1 39 ALA HA H 7.328 5.262 -7.608 1.00 . A A . 58 ALA HA 1 1 5 3458 1 1 39 ALA HB1 H 6.557 7.547 -8.151 1.00 . A A . 58 ALA HB1 1 1 5 3459 1 1 39 ALA HB2 H 5.302 7.411 -6.922 1.00 . A A . 58 ALA HB2 1 1 5 3460 1 1 39 ALA HB3 H 5.260 6.370 -8.345 1.00 . A A . 58 ALA HB3 1 1 5 3461 1 1 39 ALA N N 5.856 4.876 -6.141 1.00 . A A . 58 ALA N 1 1 5 3462 1 1 39 ALA O O 8.751 6.975 -6.279 1.00 . A A . 58 ALA O 1 1 5 3463 1 1 40 GLN C C 9.614 6.813 -3.836 1.00 . A A . 59 GLN C 1 1 5 3464 1 1 40 GLN CA C 8.169 7.292 -3.666 1.00 . A A . 59 GLN CA 1 1 5 3465 1 1 40 GLN CB C 7.679 6.932 -2.265 1.00 . A A . 59 GLN CB 1 1 5 3466 1 1 40 GLN CD C 6.505 8.250 -0.511 1.00 . A A . 59 GLN CD 1 1 5 3467 1 1 40 GLN CG C 6.420 7.734 -1.945 1.00 . A A . 59 GLN CG 1 1 5 3468 1 1 40 GLN H H 6.434 6.251 -4.395 1.00 . A A . 59 GLN H 1 1 5 3469 1 1 40 GLN HA H 8.122 8.362 -3.801 1.00 . A A . 59 GLN HA 1 1 5 3470 1 1 40 GLN HB2 H 7.454 5.875 -2.223 1.00 . A A . 59 GLN HB2 1 1 5 3471 1 1 40 GLN HB3 H 8.446 7.165 -1.543 1.00 . A A . 59 GLN HB3 1 1 5 3472 1 1 40 GLN HE21 H 6.876 6.456 0.257 1.00 . A A . 59 GLN HE21 1 1 5 3473 1 1 40 GLN HE22 H 6.807 7.725 1.380 1.00 . A A . 59 GLN HE22 1 1 5 3474 1 1 40 GLN HG2 H 6.342 8.569 -2.625 1.00 . A A . 59 GLN HG2 1 1 5 3475 1 1 40 GLN HG3 H 5.554 7.100 -2.048 1.00 . A A . 59 GLN HG3 1 1 5 3476 1 1 40 GLN N N 7.297 6.622 -4.670 1.00 . A A . 59 GLN N 1 1 5 3477 1 1 40 GLN NE2 N 6.750 7.407 0.457 1.00 . A A . 59 GLN NE2 1 1 5 3478 1 1 40 GLN O O 9.857 5.787 -4.438 1.00 . A A . 59 GLN O 1 1 5 3479 1 1 40 GLN OE1 O 6.350 9.428 -0.268 1.00 . A A . 59 GLN OE1 1 1 5 3480 1 1 41 PRO C C 12.315 6.138 -2.366 1.00 . A A . 60 PRO C 1 1 5 3481 1 1 41 PRO CA C 11.968 7.253 -3.361 1.00 . A A . 60 PRO CA 1 1 5 3482 1 1 41 PRO CB C 12.650 8.569 -2.978 1.00 . A A . 60 PRO CB 1 1 5 3483 1 1 41 PRO CD C 10.223 8.826 -2.564 1.00 . A A . 60 PRO CD 1 1 5 3484 1 1 41 PRO CG C 11.606 9.386 -2.181 1.00 . A A . 60 PRO CG 1 1 5 3485 1 1 41 PRO HA H 12.248 6.970 -4.363 1.00 . A A . 60 PRO HA 1 1 5 3486 1 1 41 PRO HB2 H 13.519 8.370 -2.365 1.00 . A A . 60 PRO HB2 1 1 5 3487 1 1 41 PRO HB3 H 12.936 9.112 -3.865 1.00 . A A . 60 PRO HB3 1 1 5 3488 1 1 41 PRO HD2 H 9.640 8.622 -1.674 1.00 . A A . 60 PRO HD2 1 1 5 3489 1 1 41 PRO HD3 H 9.701 9.515 -3.210 1.00 . A A . 60 PRO HD3 1 1 5 3490 1 1 41 PRO HG2 H 11.776 9.267 -1.119 1.00 . A A . 60 PRO HG2 1 1 5 3491 1 1 41 PRO HG3 H 11.665 10.429 -2.452 1.00 . A A . 60 PRO HG3 1 1 5 3492 1 1 41 PRO N N 10.531 7.574 -3.293 1.00 . A A . 60 PRO N 1 1 5 3493 1 1 41 PRO O O 11.520 5.778 -1.523 1.00 . A A . 60 PRO O 1 1 5 3494 1 1 42 ALA C C 14.225 5.093 -0.154 1.00 . A A . 61 ALA C 1 1 5 3495 1 1 42 ALA CA C 13.885 4.497 -1.523 1.00 . A A . 61 ALA CA 1 1 5 3496 1 1 42 ALA CB C 15.108 3.762 -2.076 1.00 . A A . 61 ALA CB 1 1 5 3497 1 1 42 ALA H H 14.122 5.889 -3.151 1.00 . A A . 61 ALA H 1 1 5 3498 1 1 42 ALA HA H 13.065 3.801 -1.419 1.00 . A A . 61 ALA HA 1 1 5 3499 1 1 42 ALA HB1 H 15.261 4.044 -3.108 1.00 . A A . 61 ALA HB1 1 1 5 3500 1 1 42 ALA HB2 H 14.947 2.696 -2.014 1.00 . A A . 61 ALA HB2 1 1 5 3501 1 1 42 ALA HB3 H 15.980 4.028 -1.497 1.00 . A A . 61 ALA HB3 1 1 5 3502 1 1 42 ALA N N 13.495 5.588 -2.461 1.00 . A A . 61 ALA N 1 1 5 3503 1 1 42 ALA O O 14.610 6.241 -0.059 1.00 . A A . 61 ALA O 1 1 5 3504 1 1 43 PRO C C 12.083 2.851 0.566 1.00 . A A . 62 PRO C 1 1 5 3505 1 1 43 PRO CA C 13.605 2.894 0.741 1.00 . A A . 62 PRO CA 1 1 5 3506 1 1 43 PRO CB C 14.018 2.256 2.070 1.00 . A A . 62 PRO CB 1 1 5 3507 1 1 43 PRO CD C 14.362 4.703 2.255 1.00 . A A . 62 PRO CD 1 1 5 3508 1 1 43 PRO CG C 14.170 3.417 3.082 1.00 . A A . 62 PRO CG 1 1 5 3509 1 1 43 PRO HA H 14.100 2.396 -0.078 1.00 . A A . 62 PRO HA 1 1 5 3510 1 1 43 PRO HB2 H 13.252 1.567 2.402 1.00 . A A . 62 PRO HB2 1 1 5 3511 1 1 43 PRO HB3 H 14.960 1.743 1.960 1.00 . A A . 62 PRO HB3 1 1 5 3512 1 1 43 PRO HD2 H 13.668 5.466 2.578 1.00 . A A . 62 PRO HD2 1 1 5 3513 1 1 43 PRO HD3 H 15.379 5.055 2.334 1.00 . A A . 62 PRO HD3 1 1 5 3514 1 1 43 PRO HG2 H 13.280 3.495 3.692 1.00 . A A . 62 PRO HG2 1 1 5 3515 1 1 43 PRO HG3 H 15.034 3.253 3.706 1.00 . A A . 62 PRO HG3 1 1 5 3516 1 1 43 PRO N N 14.074 4.288 0.869 1.00 . A A . 62 PRO N 1 1 5 3517 1 1 43 PRO O O 11.476 1.798 0.581 1.00 . A A . 62 PRO O 1 1 5 3518 1 1 44 PHE C C 9.639 3.306 -1.091 1.00 . A A . 63 PHE C 1 1 5 3519 1 1 44 PHE CA C 9.981 4.013 0.217 1.00 . A A . 63 PHE CA 1 1 5 3520 1 1 44 PHE CB C 9.494 5.463 0.126 1.00 . A A . 63 PHE CB 1 1 5 3521 1 1 44 PHE CD1 C 10.553 6.066 2.306 1.00 . A A . 63 PHE CD1 1 1 5 3522 1 1 44 PHE CD2 C 11.041 7.440 0.378 1.00 . A A . 63 PHE CD2 1 1 5 3523 1 1 44 PHE CE1 C 11.376 6.875 3.094 1.00 . A A . 63 PHE CE1 1 1 5 3524 1 1 44 PHE CE2 C 11.869 8.252 1.163 1.00 . A A . 63 PHE CE2 1 1 5 3525 1 1 44 PHE CG C 10.384 6.347 0.956 1.00 . A A . 63 PHE CG 1 1 5 3526 1 1 44 PHE CZ C 12.035 7.970 2.524 1.00 . A A . 63 PHE CZ 1 1 5 3527 1 1 44 PHE H H 11.977 4.821 0.384 1.00 . A A . 63 PHE H 1 1 5 3528 1 1 44 PHE HA H 9.508 3.519 1.050 1.00 . A A . 63 PHE HA 1 1 5 3529 1 1 44 PHE HB2 H 9.522 5.787 -0.903 1.00 . A A . 63 PHE HB2 1 1 5 3530 1 1 44 PHE HB3 H 8.481 5.525 0.494 1.00 . A A . 63 PHE HB3 1 1 5 3531 1 1 44 PHE HD1 H 10.047 5.219 2.743 1.00 . A A . 63 PHE HD1 1 1 5 3532 1 1 44 PHE HD2 H 10.910 7.655 -0.669 1.00 . A A . 63 PHE HD2 1 1 5 3533 1 1 44 PHE HE1 H 11.492 6.658 4.144 1.00 . A A . 63 PHE HE1 1 1 5 3534 1 1 44 PHE HE2 H 12.376 9.095 0.719 1.00 . A A . 63 PHE HE2 1 1 5 3535 1 1 44 PHE HZ H 12.672 8.595 3.132 1.00 . A A . 63 PHE HZ 1 1 5 3536 1 1 44 PHE N N 11.465 3.987 0.397 1.00 . A A . 63 PHE N 1 1 5 3537 1 1 44 PHE O O 10.498 3.121 -1.930 1.00 . A A . 63 PHE O 1 1 5 3538 1 1 45 GLY C C 7.181 1.081 -2.595 1.00 . A A . 64 GLY C 1 1 5 3539 1 1 45 GLY CA C 8.125 2.296 -2.661 1.00 . A A . 64 GLY CA 1 1 5 3540 1 1 45 GLY H H 7.670 3.126 -0.651 1.00 . A A . 64 GLY H 1 1 5 3541 1 1 45 GLY HA2 H 9.066 1.978 -3.086 1.00 . A A . 64 GLY HA2 1 1 5 3542 1 1 45 GLY HA3 H 7.692 3.033 -3.309 1.00 . A A . 64 GLY HA3 1 1 5 3543 1 1 45 GLY N N 8.400 2.941 -1.323 1.00 . A A . 64 GLY N 1 1 5 3544 1 1 45 GLY O O 6.520 0.833 -1.622 1.00 . A A . 64 GLY O 1 1 5 3545 1 1 46 ILE C C 6.677 -1.940 -2.701 1.00 . A A . 65 ILE C 1 1 5 3546 1 1 46 ILE CA C 6.197 -0.867 -3.678 1.00 . A A . 65 ILE CA 1 1 5 3547 1 1 46 ILE CB C 6.098 -1.460 -5.107 1.00 . A A . 65 ILE CB 1 1 5 3548 1 1 46 ILE CD1 C 5.313 -0.177 -7.115 1.00 . A A . 65 ILE CD1 1 1 5 3549 1 1 46 ILE CG1 C 4.871 -0.891 -5.836 1.00 . A A . 65 ILE CG1 1 1 5 3550 1 1 46 ILE CG2 C 5.968 -2.989 -5.065 1.00 . A A . 65 ILE CG2 1 1 5 3551 1 1 46 ILE H H 7.646 0.533 -4.455 1.00 . A A . 65 ILE H 1 1 5 3552 1 1 46 ILE HA H 5.221 -0.541 -3.373 1.00 . A A . 65 ILE HA 1 1 5 3553 1 1 46 ILE HB H 6.990 -1.198 -5.658 1.00 . A A . 65 ILE HB 1 1 5 3554 1 1 46 ILE HD11 H 6.298 0.241 -6.972 1.00 . A A . 65 ILE HD11 1 1 5 3555 1 1 46 ILE HD12 H 5.336 -0.883 -7.933 1.00 . A A . 65 ILE HD12 1 1 5 3556 1 1 46 ILE HD13 H 4.616 0.616 -7.344 1.00 . A A . 65 ILE HD13 1 1 5 3557 1 1 46 ILE HG12 H 4.218 -1.707 -6.100 1.00 . A A . 65 ILE HG12 1 1 5 3558 1 1 46 ILE HG13 H 4.336 -0.206 -5.191 1.00 . A A . 65 ILE HG13 1 1 5 3559 1 1 46 ILE HG21 H 5.117 -3.262 -4.458 1.00 . A A . 65 ILE HG21 1 1 5 3560 1 1 46 ILE HG22 H 5.831 -3.367 -6.068 1.00 . A A . 65 ILE HG22 1 1 5 3561 1 1 46 ILE HG23 H 6.865 -3.415 -4.640 1.00 . A A . 65 ILE HG23 1 1 5 3562 1 1 46 ILE N N 7.111 0.318 -3.663 1.00 . A A . 65 ILE N 1 1 5 3563 1 1 46 ILE O O 7.836 -2.302 -2.659 1.00 . A A . 65 ILE O 1 1 5 3564 1 1 47 VAL C C 5.113 -4.694 -1.207 1.00 . A A . 66 VAL C 1 1 5 3565 1 1 47 VAL CA C 6.092 -3.543 -0.977 1.00 . A A . 66 VAL CA 1 1 5 3566 1 1 47 VAL CB C 5.943 -3.029 0.455 1.00 . A A . 66 VAL CB 1 1 5 3567 1 1 47 VAL CG1 C 6.931 -3.761 1.366 1.00 . A A . 66 VAL CG1 1 1 5 3568 1 1 47 VAL CG2 C 6.231 -1.527 0.495 1.00 . A A . 66 VAL CG2 1 1 5 3569 1 1 47 VAL H H 4.831 -2.158 -2.024 1.00 . A A . 66 VAL H 1 1 5 3570 1 1 47 VAL HA H 7.103 -3.884 -1.144 1.00 . A A . 66 VAL HA 1 1 5 3571 1 1 47 VAL HB H 4.936 -3.214 0.797 1.00 . A A . 66 VAL HB 1 1 5 3572 1 1 47 VAL HG11 H 7.690 -4.238 0.765 1.00 . A A . 66 VAL HG11 1 1 5 3573 1 1 47 VAL HG12 H 7.394 -3.053 2.038 1.00 . A A . 66 VAL HG12 1 1 5 3574 1 1 47 VAL HG13 H 6.403 -4.508 1.941 1.00 . A A . 66 VAL HG13 1 1 5 3575 1 1 47 VAL HG21 H 6.934 -1.276 -0.285 1.00 . A A . 66 VAL HG21 1 1 5 3576 1 1 47 VAL HG22 H 5.312 -0.982 0.340 1.00 . A A . 66 VAL HG22 1 1 5 3577 1 1 47 VAL HG23 H 6.648 -1.266 1.456 1.00 . A A . 66 VAL HG23 1 1 5 3578 1 1 47 VAL N N 5.759 -2.466 -1.942 1.00 . A A . 66 VAL N 1 1 5 3579 1 1 47 VAL O O 4.091 -4.526 -1.851 1.00 . A A . 66 VAL O 1 1 5 3580 1 1 48 GLY C C 4.092 -7.592 0.465 1.00 . A A . 67 GLY C 1 1 5 3581 1 1 48 GLY CA C 4.487 -7.012 -0.895 1.00 . A A . 67 GLY CA 1 1 5 3582 1 1 48 GLY H H 6.236 -5.972 -0.184 1.00 . A A . 67 GLY H 1 1 5 3583 1 1 48 GLY HA2 H 4.983 -7.774 -1.477 1.00 . A A . 67 GLY HA2 1 1 5 3584 1 1 48 GLY HA3 H 3.601 -6.679 -1.418 1.00 . A A . 67 GLY HA3 1 1 5 3585 1 1 48 GLY N N 5.408 -5.858 -0.697 1.00 . A A . 67 GLY N 1 1 5 3586 1 1 48 GLY O O 3.858 -6.871 1.413 1.00 . A A . 67 GLY O 1 1 5 3587 1 1 49 SER C C 4.890 -10.053 2.560 1.00 . A A . 68 SER C 1 1 5 3588 1 1 49 SER CA C 3.636 -9.517 1.865 1.00 . A A . 68 SER CA 1 1 5 3589 1 1 49 SER CB C 2.663 -10.668 1.610 1.00 . A A . 68 SER CB 1 1 5 3590 1 1 49 SER H H 4.209 -9.455 -0.211 1.00 . A A . 68 SER H 1 1 5 3591 1 1 49 SER HA H 3.164 -8.778 2.495 1.00 . A A . 68 SER HA 1 1 5 3592 1 1 49 SER HB2 H 2.445 -10.732 0.557 1.00 . A A . 68 SER HB2 1 1 5 3593 1 1 49 SER HB3 H 3.112 -11.596 1.939 1.00 . A A . 68 SER HB3 1 1 5 3594 1 1 49 SER HG H 0.734 -10.808 1.819 1.00 . A A . 68 SER HG 1 1 5 3595 1 1 49 SER N N 4.016 -8.891 0.566 1.00 . A A . 68 SER N 1 1 5 3596 1 1 49 SER O O 5.467 -11.039 2.146 1.00 . A A . 68 SER O 1 1 5 3597 1 1 49 SER OG O 1.457 -10.430 2.324 1.00 . A A . 68 SER OG 1 1 5 3598 1 1 50 GLY C C 7.736 -9.034 3.920 1.00 . A A . 69 GLY C 1 1 5 3599 1 1 50 GLY CA C 6.532 -9.884 4.332 1.00 . A A . 69 GLY CA 1 1 5 3600 1 1 50 GLY H H 4.838 -8.616 3.929 1.00 . A A . 69 GLY H 1 1 5 3601 1 1 50 GLY HA2 H 6.722 -10.916 4.079 1.00 . A A . 69 GLY HA2 1 1 5 3602 1 1 50 GLY HA3 H 6.376 -9.796 5.398 1.00 . A A . 69 GLY HA3 1 1 5 3603 1 1 50 GLY N N 5.317 -9.411 3.612 1.00 . A A . 69 GLY N 1 1 5 3604 1 1 50 GLY O O 8.519 -8.690 4.790 1.00 . A A . 69 GLY O 1 1 5 3605 1 1 50 GLY OXT O 7.853 -8.741 2.741 1.00 . A A . 69 GLY OXT 1 1 stop_ save_
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