NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | item_count |
381213 | 1iy5 | 5469 | cing | recoord | 4-filtered-FRED | STAR | entry | full | 658 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1iy5 # This FRED archive file contains, for PDB entry <1iy5>: # # - 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_1iy5 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1iy5 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 5848.52 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 $OMSVP3 A . 1 1 stop_ save_ save_OMSVP3 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name OMSVP3 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code AVSVDCSEYPKPACTMEYRPLCGSDNKTYGNKCNFCNAVVESNGTLTLSHFGKC _Entity.Number_of_monomers 54 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ALA . 1 1 2 VAL . 1 1 3 SER . 1 1 4 VAL . 1 1 5 ASP . 1 1 6 CYS . 1 1 7 SER . 1 1 8 GLU . 1 1 9 TYR . 1 1 10 PRO . 1 1 11 LYS . 1 1 12 PRO . 1 1 13 ALA . 1 1 14 CYS . 1 1 15 THR . 1 1 16 MET . 1 1 17 GLU . 1 1 18 TYR . 1 1 19 ARG . 1 1 20 PRO . 1 1 21 LEU . 1 1 22 CYS . 1 1 23 GLY . 1 1 24 SER . 1 1 25 ASP . 1 1 26 ASN . 1 1 27 LYS . 1 1 28 THR . 1 1 29 TYR . 1 1 30 GLY . 1 1 31 ASN . 1 1 32 LYS . 1 1 33 CYS . 1 1 34 ASN . 1 1 35 PHE . 1 1 36 CYS . 1 1 37 ASN . 1 1 38 ALA . 1 1 39 VAL . 1 1 40 VAL . 1 1 41 GLU . 1 1 42 SER . 1 1 43 ASN . 1 1 44 GLY . 1 1 45 THR . 1 1 46 LEU . 1 1 47 THR . 1 1 48 LEU . 1 1 49 SER . 1 1 50 HIS . 1 1 51 PHE . 1 1 52 GLY . 1 1 53 LYS . 1 1 54 CYS . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID ALA 1 1 1 1 VAL 2 2 1 1 SER 3 3 1 1 VAL 4 4 1 1 ASP 5 5 1 1 CYS 6 6 1 1 SER 7 7 1 1 GLU 8 8 1 1 TYR 9 9 1 1 PRO 10 10 1 1 LYS 11 11 1 1 PRO 12 12 1 1 ALA 13 13 1 1 CYS 14 14 1 1 THR 15 15 1 1 MET 16 16 1 1 GLU 17 17 1 1 TYR 18 18 1 1 ARG 19 19 1 1 PRO 20 20 1 1 LEU 21 21 1 1 CYS 22 22 1 1 GLY 23 23 1 1 SER 24 24 1 1 ASP 25 25 1 1 ASN 26 26 1 1 LYS 27 27 1 1 THR 28 28 1 1 TYR 29 29 1 1 GLY 30 30 1 1 ASN 31 31 1 1 LYS 32 32 1 1 CYS 33 33 1 1 ASN 34 34 1 1 PHE 35 35 1 1 CYS 36 36 1 1 ASN 37 37 1 1 ALA 38 38 1 1 VAL 39 39 1 1 VAL 40 40 1 1 GLU 41 41 1 1 SER 42 42 1 1 ASN 43 43 1 1 GLY 44 44 1 1 THR 45 45 1 1 LEU 46 46 1 1 THR 47 47 1 1 LEU 48 48 1 1 SER 49 49 1 1 HIS 50 50 1 1 PHE 51 51 1 1 GLY 52 52 1 1 LYS 53 53 1 1 CYS 54 54 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 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 332 1 . . . 1 1 333 1 . . . 1 1 334 1 . . . 1 1 335 1 . . . 1 1 336 1 . . . 1 1 337 1 . . . 1 1 338 1 . . . 1 1 339 1 . . . 1 1 340 1 . . . 1 1 341 1 . . . 1 1 342 1 . . . 1 1 343 1 . . . 1 1 344 1 . . . 1 1 345 1 . . . 1 1 346 1 . . . 1 1 347 1 . . . 1 1 348 1 . . . 1 1 349 1 . . . 1 1 350 1 . . . 1 1 351 1 . . . 1 1 352 1 . . . 1 1 353 1 . . . 1 1 354 1 . . . 1 1 355 1 . . . 1 1 356 1 . . . 1 1 357 1 . . . 1 1 358 1 . . . 1 1 359 1 . . . 1 1 360 1 . . . 1 1 361 1 . . . 1 1 362 1 . . . 1 1 363 1 . . . 1 1 364 1 . . . 1 1 365 1 . . . 1 1 366 1 . . . 1 1 367 1 . . . 1 1 368 1 . . . 1 1 369 1 . . . 1 1 370 1 . . . 1 1 371 1 . . . 1 1 372 1 . . . 1 1 373 1 . . . 1 1 374 1 . . . 1 1 375 1 . . . 1 1 376 1 . . . 1 1 377 1 . . . 1 1 378 1 . . . 1 1 379 1 . . . 1 1 380 1 . . . 1 1 381 1 . . . 1 1 382 1 . . . 1 1 383 1 . . . 1 1 384 1 . . . 1 1 385 1 . . . 1 1 386 1 . . . 1 1 387 1 . . . 1 1 388 1 . . . 1 1 389 1 . . . 1 1 390 1 . . . 1 1 391 1 . . . 1 1 392 1 . . . 1 1 393 1 . . . 1 1 394 1 . . . 1 1 395 1 . . . 1 1 396 1 . . . 1 1 397 1 . . . 1 1 398 1 . . . 1 1 399 1 . . . 1 1 400 1 . . . 1 1 401 1 . . . 1 1 402 1 . . . 1 1 403 1 . . . 1 1 404 1 . . . 1 1 405 1 . . . 1 1 406 1 . . . 1 1 407 1 . . . 1 1 408 1 . . . 1 1 409 1 . . . 1 1 410 1 . . . 1 1 411 1 . . . 1 1 412 1 . . . 1 1 413 1 . . . 1 1 414 1 . . . 1 1 415 1 . . . 1 1 416 1 . . . 1 1 417 1 . . . 1 1 418 1 . . . 1 1 419 1 . . . 1 1 420 1 . . . 1 1 421 1 . . . 1 1 422 1 . . . 1 1 423 1 . . . 1 1 424 1 . . . 1 1 425 1 . . . 1 1 426 1 . . . 1 1 427 1 . . . 1 1 428 1 . . . 1 1 429 1 . . . 1 1 430 1 . . . 1 1 431 1 . . . 1 1 432 1 . . . 1 1 433 1 . . . 1 1 434 1 . . . 1 1 435 1 . . . 1 1 436 1 . . . 1 1 437 1 . . . 1 1 438 1 . . . 1 1 439 1 . . . 1 1 440 1 . . . 1 1 441 1 . . . 1 1 442 1 . . . 1 1 443 1 . . . 1 1 444 1 . . . 1 1 445 1 . . . 1 1 446 1 . . . 1 1 447 1 . . . 1 1 448 1 . . . 1 1 449 1 . . . 1 1 450 1 . . . 1 1 451 1 . . . 1 1 452 1 . . . 1 1 453 1 . . . 1 1 454 1 . . . 1 1 455 1 . . . 1 1 456 1 . . . 1 1 457 1 . . . 1 1 458 1 . . . 1 1 459 1 . . . 1 1 460 1 . . . 1 1 461 1 . . . 1 1 462 1 . . . 1 1 463 1 . . . 1 1 464 1 . . . 1 1 465 1 . . . 1 1 466 1 . . . 1 1 467 1 . . . 1 1 468 1 . . . 1 1 469 1 . . . 1 1 470 1 . . . 1 1 471 1 . . . 1 1 472 1 . . . 1 1 473 1 . . . 1 1 474 1 . . . 1 1 475 1 . . . 1 1 476 1 . . . 1 1 477 1 . . . 1 1 478 1 . . . 1 1 479 1 . . . 1 1 480 1 . . . 1 1 481 1 . . . 1 1 482 1 . . . 1 1 483 1 . . . 1 1 484 1 . . . 1 1 485 1 . . . 1 1 486 1 . . . 1 1 487 1 . . . 1 1 488 1 . . . 1 1 489 1 . . . 1 1 490 1 . . . 1 1 491 1 . . . 1 1 492 1 . . . 1 1 493 1 . . . 1 1 494 1 . . . 1 1 495 1 . . . 1 1 496 1 . . . 1 1 497 1 . . . 1 1 498 1 . . . 1 1 499 1 . . . 1 1 500 1 . . . 1 1 501 1 . . . 1 1 502 1 . . . 1 1 503 1 . . . 1 1 504 1 . . . 1 1 505 1 . . . 1 1 506 1 . . . 1 1 507 1 . . . 1 1 508 1 . . . 1 1 509 1 . . . 1 1 510 1 . . . 1 1 511 1 . . . 1 1 512 1 . . . 1 1 513 1 . . . 1 1 514 1 . . . 1 1 515 1 . . . 1 1 516 1 . . . 1 1 517 1 . . . 1 1 518 1 . . . 1 1 519 1 . . . 1 1 520 1 . . . 1 1 521 1 . . . 1 1 522 1 . . . 1 1 523 1 . . . 1 1 524 1 . . . 1 1 525 1 . . . 1 1 526 1 . . . 1 1 527 1 . . . 1 1 528 1 . . . 1 1 529 1 . . . 1 1 530 1 . . . 1 1 531 1 . . . 1 1 532 1 . . . 1 1 533 1 . . . 1 1 534 1 . . . 1 1 535 1 . . . 1 1 536 1 . . . 1 1 537 1 . . . 1 1 538 1 . . . 1 1 539 1 . . . 1 1 540 1 . . . 1 1 541 1 . . . 1 1 542 1 . . . 1 1 543 1 . . . 1 1 544 1 . . . 1 1 545 1 . . . 1 1 546 1 . . . 1 1 547 1 . . . 1 1 548 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 VAL H . 4 . HN 1 1 1 1 2 1 1 2 VAL HB . 4 . HB 1 1 2 1 1 1 1 2 VAL H . 4 . HN 1 1 2 1 2 1 1 2 VAL QG . 4 . HG* 1 1 3 1 1 1 1 2 VAL HA . 4 . HA 1 1 3 1 2 1 1 3 SER H . 5 . HN 1 1 4 1 1 1 1 2 VAL HB . 4 . HB 1 1 4 1 2 1 1 48 LEU MD2 . 50 . HD2* 1 1 5 1 1 1 1 2 VAL QG . 4 . HG* 1 1 5 1 2 1 1 3 SER H . 5 . HN 1 1 6 1 1 1 1 2 VAL MG2 . 4 . HG2* 1 1 6 1 2 1 1 48 LEU H . 50 . HN 1 1 7 1 1 1 1 2 VAL QG . 4 . HG* 1 1 7 1 2 1 1 48 LEU MD2 . 50 . HD2* 1 1 8 1 1 1 1 2 VAL MG2 . 4 . HG2* 1 1 8 1 2 1 1 48 LEU MD1 . 50 . HD1* 1 1 9 1 1 1 1 2 VAL MG1 . 4 . HG1* 1 1 9 1 2 1 1 51 PHE QE . 53 . HE1 1 1 10 1 1 1 1 2 VAL MG2 . 4 . HG2* 1 1 10 1 2 1 1 51 PHE QE . 53 . HE1 1 1 11 1 1 1 1 3 SER H . 5 . HN 1 1 11 1 2 1 1 3 SER QB . 5 . HB# 1 1 12 1 1 1 1 3 SER HA . 5 . HA 1 1 12 1 2 1 1 4 VAL H . 6 . HN 1 1 13 1 1 1 1 3 SER QB . 5 . HB# 1 1 13 1 2 1 1 48 LEU H . 50 . HN 1 1 14 1 1 1 1 4 VAL H . 6 . HN 1 1 14 1 2 1 1 4 VAL HB . 6 . HB 1 1 15 1 1 1 1 4 VAL H . 6 . HN 1 1 15 1 2 1 1 4 VAL MG1 . 6 . HG1* 1 1 16 1 1 1 1 4 VAL H . 6 . HN 1 1 16 1 2 1 1 4 VAL MG2 . 6 . HG2* 1 1 17 1 1 1 1 4 VAL HA . 6 . HA 1 1 17 1 2 1 1 5 ASP H . 7 . HN 1 1 18 1 1 1 1 4 VAL HB . 6 . HB 1 1 18 1 2 1 1 5 ASP H . 7 . HN 1 1 19 1 1 1 1 4 VAL HB . 6 . HB 1 1 19 1 2 1 1 21 LEU MD1 . 23 . HD1* 1 1 20 1 1 1 1 4 VAL HB . 6 . HB 1 1 20 1 2 1 1 35 PHE QD . 37 . HD1 1 1 21 1 1 1 1 4 VAL HB . 6 . HB 1 1 21 1 2 1 1 51 PHE QE . 53 . HE2 1 1 22 1 1 1 1 5 ASP H . 7 . HN 1 1 22 1 2 1 1 5 ASP HB3 . 7 . HB1 1 1 23 1 1 1 1 5 ASP H . 7 . HN 1 1 23 1 2 1 1 5 ASP HB2 . 7 . HB2 1 1 24 1 1 1 1 5 ASP HB3 . 7 . HB1 1 1 24 1 2 1 1 7 SER H . 9 . HN 1 1 25 1 1 1 1 5 ASP HB2 . 7 . HB2 1 1 25 1 2 1 1 7 SER H . 9 . HN 1 1 26 1 1 1 1 6 CYS H . 8 . HN 1 1 26 1 2 1 1 6 CYS QB . 8 . HB# 1 1 27 1 1 1 1 6 CYS H . 8 . HN 1 1 27 1 2 1 1 7 SER H . 9 . HN 1 1 28 1 1 1 1 6 CYS HA . 8 . HA 1 1 28 1 2 1 1 7 SER H . 9 . HN 1 1 29 1 1 1 1 6 CYS HA . 8 . HA 1 1 29 1 2 1 1 8 GLU H . 10 . HN 1 1 30 1 1 1 1 6 CYS HA . 8 . HA 1 1 30 1 2 1 1 9 TYR H . 11 . HN 1 1 31 1 1 1 1 6 CYS HA . 8 . HA 1 1 31 1 2 1 1 9 TYR HE1 . 11 . HE2 1 1 32 1 1 1 1 6 CYS HA . 8 . HA 1 1 32 1 2 1 1 36 CYS QB . 38 . HB1 1 1 33 1 1 1 1 6 CYS QB . 8 . HB# 1 1 33 1 2 1 1 7 SER H . 9 . HN 1 1 34 1 1 1 1 6 CYS QB . 8 . HB# 1 1 34 1 2 1 1 9 TYR H . 11 . HN 1 1 35 1 1 1 1 6 CYS QB . 8 . HB# 1 1 35 1 2 1 1 36 CYS QB . 38 . HB1 1 1 36 1 1 1 1 7 SER H . 9 . HN 1 1 36 1 2 1 1 7 SER QB . 9 . HB# 1 1 37 1 1 1 1 7 SER HA . 9 . HA 1 1 37 1 2 1 1 8 GLU H . 10 . HN 1 1 38 1 1 1 1 8 GLU H . 10 . HN 1 1 38 1 2 1 1 8 GLU QB . 10 . HB# 1 1 39 1 1 1 1 8 GLU H . 10 . HN 1 1 39 1 2 1 1 8 GLU QG . 10 . HG# 1 1 40 1 1 1 1 8 GLU H . 10 . HN 1 1 40 1 2 1 1 9 TYR H . 11 . HN 1 1 41 1 1 1 1 8 GLU H . 10 . HN 1 1 41 1 2 1 1 9 TYR HE1 . 11 . HE2 1 1 42 1 1 1 1 8 GLU HA . 10 . HA 1 1 42 1 2 1 1 9 TYR H . 11 . HN 1 1 43 1 1 1 1 8 GLU QB . 10 . HB# 1 1 43 1 2 1 1 9 TYR H . 11 . HN 1 1 44 1 1 1 1 8 GLU QG . 10 . HG# 1 1 44 1 2 1 1 9 TYR HE1 . 11 . HE2 1 1 45 1 1 1 1 9 TYR H . 11 . HN 1 1 45 1 2 1 1 9 TYR QB . 11 . HB# 1 1 46 1 1 1 1 9 TYR H . 11 . HN 1 1 46 1 2 1 1 40 VAL MG2 . 42 . HG2* 1 1 47 1 1 1 1 9 TYR HA . 11 . HA 1 1 47 1 2 1 1 9 TYR HD2 . 11 . HD1 1 1 48 1 1 1 1 9 TYR HA . 11 . HA 1 1 48 1 2 1 1 9 TYR HD1 . 11 . HD2 1 1 49 1 1 1 1 9 TYR HA . 11 . HA 1 1 49 1 2 1 1 10 PRO HA . 12 . HA 1 1 50 1 1 1 1 9 TYR QB . 11 . HB# 1 1 50 1 2 1 1 40 VAL MG1 . 42 . HG1* 1 1 51 1 1 1 1 9 TYR QB . 11 . HB# 1 1 51 1 2 1 1 40 VAL MG2 . 42 . HG2* 1 1 52 1 1 1 1 9 TYR HD2 . 11 . HD1 1 1 52 1 2 1 1 10 PRO HA . 12 . HA 1 1 53 1 1 1 1 9 TYR HD2 . 11 . HD1 1 1 53 1 2 1 1 11 LYS H . 13 . HN 1 1 54 1 1 1 1 9 TYR HD2 . 11 . HD1 1 1 54 1 2 1 1 11 LYS QB . 13 . HB# 1 1 55 1 1 1 1 9 TYR HD2 . 11 . HD1 1 1 55 1 2 1 1 11 LYS QG . 13 . HG# 1 1 56 1 1 1 1 9 TYR HD1 . 11 . HD2 1 1 56 1 2 1 1 11 LYS HG3 . 13 . HG1 1 1 57 1 1 1 1 9 TYR HD2 . 11 . HD1 1 1 57 1 2 1 1 11 LYS HD2 . 13 . HD2 1 1 58 1 1 1 1 9 TYR HD2 . 11 . HD1 1 1 58 1 2 1 1 36 CYS QB . 38 . HB1 1 1 59 1 1 1 1 9 TYR HD1 . 11 . HD2 1 1 59 1 2 1 1 36 CYS QB . 38 . HB1 1 1 60 1 1 1 1 9 TYR HD2 . 11 . HD1 1 1 60 1 2 1 1 37 ASN HA . 39 . HA 1 1 61 1 1 1 1 9 TYR HD2 . 11 . HD1 1 1 61 1 2 1 1 40 VAL MG2 . 42 . HG2* 1 1 62 1 1 1 1 9 TYR HE2 . 11 . HE1 1 1 62 1 2 1 1 10 PRO HA . 12 . HA 1 1 63 1 1 1 1 9 TYR HE2 . 11 . HE1 1 1 63 1 2 1 1 11 LYS H . 13 . HN 1 1 64 1 1 1 1 9 TYR HE2 . 11 . HE1 1 1 64 1 2 1 1 11 LYS QB . 13 . HB# 1 1 65 1 1 1 1 9 TYR HE2 . 11 . HE1 1 1 65 1 2 1 1 11 LYS QG . 13 . HG# 1 1 66 1 1 1 1 9 TYR HE1 . 11 . HE2 1 1 66 1 2 1 1 11 LYS QG . 13 . HG# 1 1 67 1 1 1 1 9 TYR HE2 . 11 . HE1 1 1 67 1 2 1 1 11 LYS QD . 13 . HD# 1 1 68 1 1 1 1 9 TYR HE1 . 11 . HE2 1 1 68 1 2 1 1 11 LYS QD . 13 . HD# 1 1 69 1 1 1 1 9 TYR HE1 . 11 . HE2 1 1 69 1 2 1 1 32 LYS QD . 34 . HD# 1 1 70 1 1 1 1 9 TYR HE2 . 11 . HE1 1 1 70 1 2 1 1 33 CYS HB3 . 35 . HB1 1 1 71 1 1 1 1 9 TYR HE2 . 11 . HE1 1 1 71 1 2 1 1 33 CYS HB2 . 35 . HB2 1 1 72 1 1 1 1 9 TYR HE2 . 11 . HE1 1 1 72 1 2 1 1 36 CYS H . 38 . HN 1 1 73 1 1 1 1 9 TYR HE2 . 11 . HE1 1 1 73 1 2 1 1 36 CYS QB . 38 . HB1 1 1 74 1 1 1 1 9 TYR HE1 . 11 . HE2 1 1 74 1 2 1 1 36 CYS QB . 38 . HB1 1 1 75 1 1 1 1 9 TYR HE2 . 11 . HE1 1 1 75 1 2 1 1 37 ASN HA . 39 . HA 1 1 76 1 1 1 1 10 PRO HA . 12 . HA 1 1 76 1 2 1 1 11 LYS H . 13 . HN 1 1 77 1 1 1 1 10 PRO HA . 12 . HA 1 1 77 1 2 1 1 40 VAL MG2 . 42 . HG2* 1 1 78 1 1 1 1 10 PRO QB . 12 . HB# 1 1 78 1 2 1 1 11 LYS H . 13 . HN 1 1 79 1 1 1 1 10 PRO QB . 12 . HB# 1 1 79 1 2 1 1 40 VAL MG1 . 42 . HG1* 1 1 80 1 1 1 1 10 PRO QB . 12 . HB# 1 1 80 1 2 1 1 40 VAL MG2 . 42 . HG2* 1 1 81 1 1 1 1 10 PRO QD . 12 . HD# 1 1 81 1 2 1 1 40 VAL MG1 . 42 . HG1* 1 1 82 1 1 1 1 10 PRO QD . 12 . HD# 1 1 82 1 2 1 1 40 VAL MG2 . 42 . HG2* 1 1 83 1 1 1 1 11 LYS H . 13 . HN 1 1 83 1 2 1 1 11 LYS QB . 13 . HB# 1 1 84 1 1 1 1 11 LYS H . 13 . HN 1 1 84 1 2 1 1 11 LYS QG . 13 . HG# 1 1 85 1 1 1 1 11 LYS H . 13 . HN 1 1 85 1 2 1 1 11 LYS QD . 13 . HD# 1 1 86 1 1 1 1 11 LYS H . 13 . HN 1 1 86 1 2 1 1 13 ALA H . 15 . HN 1 1 87 1 1 1 1 11 LYS HA . 13 . HA 1 1 87 1 2 1 1 13 ALA H . 15 . HN 1 1 88 1 1 1 1 11 LYS QB . 13 . HB# 1 1 88 1 2 1 1 12 PRO QD . 14 . HD# 1 1 89 1 1 1 1 11 LYS QB . 13 . HB# 1 1 89 1 2 1 1 13 ALA H . 15 . HN 1 1 90 1 1 1 1 12 PRO HA . 14 . HA 1 1 90 1 2 1 1 13 ALA H . 15 . HN 1 1 91 1 1 1 1 12 PRO QB . 14 . HB# 1 1 91 1 2 1 1 13 ALA H . 15 . HN 1 1 92 1 1 1 1 12 PRO QG . 14 . HG# 1 1 92 1 2 1 1 13 ALA H . 15 . HN 1 1 93 1 1 1 1 12 PRO QD . 14 . HD# 1 1 93 1 2 1 1 13 ALA H . 15 . HN 1 1 94 1 1 1 1 13 ALA HA . 15 . HA 1 1 94 1 2 1 1 14 CYS H . 16 . HN 1 1 95 1 1 1 1 13 ALA MB . 15 . HB# 1 1 95 1 2 1 1 14 CYS H . 16 . HN 1 1 96 1 1 1 1 13 ALA MB . 15 . HB# 1 1 96 1 2 1 1 14 CYS HA . 16 . HA 1 1 97 1 1 1 1 14 CYS H . 16 . HN 1 1 97 1 2 1 1 14 CYS QB . 16 . HB# 1 1 98 1 1 1 1 14 CYS HA . 16 . HA 1 1 98 1 2 1 1 15 THR H . 17 . HN 1 1 99 1 1 1 1 14 CYS HA . 16 . HA 1 1 99 1 2 1 1 15 THR MG . 17 . HG2# 1 1 100 1 1 1 1 14 CYS QB . 16 . HB# 1 1 100 1 2 1 1 15 THR H . 17 . HN 1 1 101 1 1 1 1 14 CYS QB . 16 . HB# 1 1 101 1 2 1 1 16 MET H . 18 . HN 1 1 102 1 1 1 1 14 CYS QB . 16 . HB# 1 1 102 1 2 1 1 31 ASN QD . 33 . HD2# 1 1 103 1 1 1 1 14 CYS QB . 16 . HB# 1 1 103 1 2 1 1 34 ASN H . 36 . HN 1 1 104 1 1 1 1 14 CYS QB . 16 . HB# 1 1 104 1 2 1 1 34 ASN QD . 36 . HD2# 1 1 105 1 1 1 1 15 THR H . 17 . HN 1 1 105 1 2 1 1 15 THR MG . 17 . HG2# 1 1 106 1 1 1 1 15 THR H . 17 . HN 1 1 106 1 2 1 1 31 ASN QD . 33 . HD2# 1 1 107 1 1 1 1 15 THR HA . 17 . HA 1 1 107 1 2 1 1 17 GLU H . 19 . HN 1 1 108 1 1 1 1 15 THR HB . 17 . HB 1 1 108 1 2 1 1 31 ASN QD . 33 . HD2# 1 1 109 1 1 1 1 15 THR MG . 17 . HG2# 1 1 109 1 2 1 1 16 MET H . 18 . HN 1 1 110 1 1 1 1 15 THR MG . 17 . HG2# 1 1 110 1 2 1 1 17 GLU H . 19 . HN 1 1 111 1 1 1 1 15 THR MG . 17 . HG2# 1 1 111 1 2 1 1 17 GLU QB . 19 . HB# 1 1 112 1 1 1 1 16 MET H . 18 . HN 1 1 112 1 2 1 1 16 MET QG . 18 . HG# 1 1 113 1 1 1 1 16 MET H . 18 . HN 1 1 113 1 2 1 1 17 GLU H . 19 . HN 1 1 114 1 1 1 1 16 MET HA . 18 . HA 1 1 114 1 2 1 1 17 GLU H . 19 . HN 1 1 115 1 1 1 1 16 MET HA . 18 . HA 1 1 115 1 2 1 1 31 ASN QD . 33 . HD2# 1 1 116 1 1 1 1 17 GLU H . 19 . HN 1 1 116 1 2 1 1 17 GLU QB . 19 . HB# 1 1 117 1 1 1 1 17 GLU H . 19 . HN 1 1 117 1 2 1 1 31 ASN HB3 . 33 . HB1 1 1 118 1 1 1 1 17 GLU H . 19 . HN 1 1 118 1 2 1 1 31 ASN QD . 33 . HD2# 1 1 119 1 1 1 1 17 GLU HA . 19 . HA 1 1 119 1 2 1 1 18 TYR H . 20 . HN 1 1 120 1 1 1 1 17 GLU QB . 19 . HB# 1 1 120 1 2 1 1 18 TYR H . 20 . HN 1 1 121 1 1 1 1 17 GLU QG . 19 . HG# 1 1 121 1 2 1 1 18 TYR H . 20 . HN 1 1 122 1 1 1 1 17 GLU QG . 19 . HG# 1 1 122 1 2 1 1 19 ARG H . 21 . HN 1 1 123 1 1 1 1 18 TYR H . 20 . HN 1 1 123 1 2 1 1 18 TYR HB3 . 20 . HB1 1 1 124 1 1 1 1 18 TYR H . 20 . HN 1 1 124 1 2 1 1 18 TYR HB2 . 20 . HB2 1 1 125 1 1 1 1 18 TYR H . 20 . HN 1 1 125 1 2 1 1 19 ARG QB . 21 . HB# 1 1 126 1 1 1 1 18 TYR HA . 20 . HA 1 1 126 1 2 1 1 18 TYR QD . 20 . HD# 1 1 127 1 1 1 1 18 TYR HA . 20 . HA 1 1 127 1 2 1 1 19 ARG H . 21 . HN 1 1 128 1 1 1 1 18 TYR HB3 . 20 . HB1 1 1 128 1 2 1 1 18 TYR QD . 20 . HD# 1 1 129 1 1 1 1 18 TYR HB2 . 20 . HB2 1 1 129 1 2 1 1 18 TYR QD . 20 . HD# 1 1 130 1 1 1 1 18 TYR HB3 . 20 . HB1 1 1 130 1 2 1 1 19 ARG H . 21 . HN 1 1 131 1 1 1 1 18 TYR HB2 . 20 . HB2 1 1 131 1 2 1 1 19 ARG H . 21 . HN 1 1 132 1 1 1 1 18 TYR QD . 20 . HD# 1 1 132 1 2 1 1 19 ARG H . 21 . HN 1 1 133 1 1 1 1 18 TYR QD . 20 . HD# 1 1 133 1 2 1 1 19 ARG QB . 21 . HB# 1 1 134 1 1 1 1 18 TYR QD . 20 . HD# 1 1 134 1 2 1 1 20 PRO QB . 22 . HB# 1 1 135 1 1 1 1 18 TYR QD . 20 . HD# 1 1 135 1 2 1 1 20 PRO QG . 22 . HG# 1 1 136 1 1 1 1 18 TYR QD . 20 . HD# 1 1 136 1 2 1 1 30 GLY QA . 32 . HA# 1 1 137 1 1 1 1 18 TYR QE . 20 . HE# 1 1 137 1 2 1 1 19 ARG H . 21 . HN 1 1 138 1 1 1 1 18 TYR QE . 20 . HE# 1 1 138 1 2 1 1 20 PRO QB . 22 . HB# 1 1 139 1 1 1 1 18 TYR QE . 20 . HE# 1 1 139 1 2 1 1 20 PRO QG . 22 . HG# 1 1 140 1 1 1 1 18 TYR QE . 20 . HE# 1 1 140 1 2 1 1 30 GLY QA . 32 . HA# 1 1 141 1 1 1 1 18 TYR QE . 20 . HE# 1 1 141 1 2 1 1 53 LYS QB . 55 . HB# 1 1 142 1 1 1 1 19 ARG H . 21 . HN 1 1 142 1 2 1 1 19 ARG QB . 21 . HB# 1 1 143 1 1 1 1 19 ARG H . 21 . HN 1 1 143 1 2 1 1 31 ASN H . 33 . HN 1 1 144 1 1 1 1 19 ARG H . 21 . HN 1 1 144 1 2 1 1 31 ASN HB3 . 33 . HB1 1 1 145 1 1 1 1 19 ARG H . 21 . HN 1 1 145 1 2 1 1 31 ASN HB2 . 33 . HB2 1 1 146 1 1 1 1 19 ARG H . 21 . HN 1 1 146 1 2 1 1 31 ASN QD . 33 . HD2# 1 1 147 1 1 1 1 20 PRO QB . 22 . HB# 1 1 147 1 2 1 1 52 GLY H . 54 . HN 1 1 148 1 1 1 1 20 PRO QB . 22 . HB# 1 1 148 1 2 1 1 52 GLY QA . 54 . HA# 1 1 149 1 1 1 1 21 LEU H . 23 . HN 1 1 149 1 2 1 1 21 LEU QB . 23 . HB# 1 1 150 1 1 1 1 21 LEU H . 23 . HN 1 1 150 1 2 1 1 21 LEU HG . 23 . HG 1 1 151 1 1 1 1 21 LEU H . 23 . HN 1 1 151 1 2 1 1 21 LEU MD1 . 23 . HD1* 1 1 152 1 1 1 1 21 LEU H . 23 . HN 1 1 152 1 2 1 1 21 LEU MD2 . 23 . HD2* 1 1 153 1 1 1 1 21 LEU H . 23 . HN 1 1 153 1 2 1 1 29 TYR HB3 . 31 . HB1 1 1 154 1 1 1 1 21 LEU H . 23 . HN 1 1 154 1 2 1 1 29 TYR HB2 . 31 . HB2 1 1 155 1 1 1 1 21 LEU HA . 23 . HA 1 1 155 1 2 1 1 22 CYS H . 24 . HN 1 1 156 1 1 1 1 21 LEU HA . 23 . HA 1 1 156 1 2 1 1 48 LEU MD1 . 50 . HD1* 1 1 157 1 1 1 1 21 LEU HA . 23 . HA 1 1 157 1 2 1 1 52 GLY H . 54 . HN 1 1 158 1 1 1 1 21 LEU QB . 23 . HB# 1 1 158 1 2 1 1 22 CYS H . 24 . HN 1 1 159 1 1 1 1 21 LEU QB . 23 . HB# 1 1 159 1 2 1 1 29 TYR H . 31 . HN 1 1 160 1 1 1 1 21 LEU QB . 23 . HB# 1 1 160 1 2 1 1 30 GLY H . 32 . HN 1 1 161 1 1 1 1 21 LEU QB . 23 . HB# 1 1 161 1 2 1 1 35 PHE HB2 . 37 . HB2 1 1 162 1 1 1 1 21 LEU QB . 23 . HB# 1 1 162 1 2 1 1 35 PHE QD . 37 . HD# 1 1 163 1 1 1 1 21 LEU QB . 23 . HB# 1 1 163 1 2 1 1 35 PHE QE . 37 . HE# 1 1 164 1 1 1 1 21 LEU QB . 23 . HB# 1 1 164 1 2 1 1 52 GLY H . 54 . HN 1 1 165 1 1 1 1 21 LEU HG . 23 . HG 1 1 165 1 2 1 1 35 PHE QB . 37 . HB# 1 1 166 1 1 1 1 21 LEU MD2 . 23 . HD2* 1 1 166 1 2 1 1 22 CYS H . 24 . HN 1 1 167 1 1 1 1 21 LEU MD1 . 23 . HD1* 1 1 167 1 2 1 1 31 ASN H . 33 . HN 1 1 168 1 1 1 1 21 LEU MD1 . 23 . HD1* 1 1 168 1 2 1 1 32 LYS H . 34 . HN 1 1 169 1 1 1 1 21 LEU MD1 . 23 . HD1* 1 1 169 1 2 1 1 32 LYS HA . 34 . HA 1 1 170 1 1 1 1 21 LEU MD2 . 23 . HD2* 1 1 170 1 2 1 1 32 LYS HA . 34 . HA 1 1 171 1 1 1 1 21 LEU MD1 . 23 . HD1* 1 1 171 1 2 1 1 35 PHE HB3 . 37 . HB1 1 1 172 1 1 1 1 21 LEU MD1 . 23 . HD1* 1 1 172 1 2 1 1 35 PHE HB2 . 37 . HB2 1 1 173 1 1 1 1 21 LEU MD1 . 23 . HD1* 1 1 173 1 2 1 1 35 PHE QD . 37 . HD# 1 1 174 1 1 1 1 21 LEU MD1 . 23 . HD1* 1 1 174 1 2 1 1 36 CYS H . 38 . HN 1 1 175 1 1 1 1 21 LEU MD1 . 23 . HD1* 1 1 175 1 2 1 1 48 LEU MD1 . 50 . HD1* 1 1 176 1 1 1 1 21 LEU MD1 . 23 . HD1* 1 1 176 1 2 1 1 48 LEU MD2 . 50 . HD2* 1 1 177 1 1 1 1 21 LEU MD2 . 23 . HD2* 1 1 177 1 2 1 1 48 LEU MD1 . 50 . HD1* 1 1 178 1 1 1 1 21 LEU MD2 . 23 . HD2* 1 1 178 1 2 1 1 48 LEU MD2 . 50 . HD2* 1 1 179 1 1 1 1 21 LEU MD1 . 23 . HD1* 1 1 179 1 2 1 1 51 PHE HD2 . 53 . HD2 1 1 180 1 1 1 1 21 LEU MD2 . 23 . HD2* 1 1 180 1 2 1 1 51 PHE HD2 . 53 . HD2 1 1 181 1 1 1 1 21 LEU MD1 . 23 . HD1* 1 1 181 1 2 1 1 51 PHE QE . 53 . HE2 1 1 182 1 1 1 1 21 LEU MD2 . 23 . HD2* 1 1 182 1 2 1 1 51 PHE QE . 53 . HE2 1 1 183 1 1 1 1 21 LEU MD2 . 23 . HD2* 1 1 183 1 2 1 1 52 GLY H . 54 . HN 1 1 184 1 1 1 1 22 CYS H . 24 . HN 1 1 184 1 2 1 1 22 CYS QB . 24 . HB# 1 1 185 1 1 1 1 22 CYS H . 24 . HN 1 1 185 1 2 1 1 23 GLY H . 25 . HN 1 1 186 1 1 1 1 22 CYS H . 24 . HN 1 1 186 1 2 1 1 48 LEU MD1 . 50 . HD1* 1 1 187 1 1 1 1 22 CYS HA . 24 . HA 1 1 187 1 2 1 1 23 GLY H . 25 . HN 1 1 188 1 1 1 1 22 CYS HA . 24 . HA 1 1 188 1 2 1 1 29 TYR H . 31 . HN 1 1 189 1 1 1 1 22 CYS HA . 24 . HA 1 1 189 1 2 1 1 29 TYR HB2 . 31 . HB2 1 1 190 1 1 1 1 22 CYS HA . 24 . HA 1 1 190 1 2 1 1 29 TYR HE2 . 31 . HE1 1 1 191 1 1 1 1 22 CYS HA . 24 . HA 1 1 191 1 2 1 1 53 LYS HA . 55 . HA 1 1 192 1 1 1 1 22 CYS QB . 24 . HB# 1 1 192 1 2 1 1 23 GLY H . 25 . HN 1 1 193 1 1 1 1 22 CYS QB . 24 . HB# 1 1 193 1 2 1 1 50 HIS H . 52 . HN 1 1 194 1 1 1 1 22 CYS QB . 24 . HB# 1 1 194 1 2 1 1 50 HIS HE1 . 52 . HE1 1 1 195 1 1 1 1 22 CYS QB . 24 . HB# 1 1 195 1 2 1 1 54 CYS H . 56 . HN 1 1 196 1 1 1 1 22 CYS QB . 24 . HB# 1 1 196 1 2 1 1 54 CYS HA . 56 . HA 1 1 197 1 1 1 1 23 GLY H . 25 . HN 1 1 197 1 2 1 1 27 LYS H . 29 . HN 1 1 198 1 1 1 1 23 GLY H . 25 . HN 1 1 198 1 2 1 1 27 LYS HA . 29 . HA 1 1 199 1 1 1 1 23 GLY H . 25 . HN 1 1 199 1 2 1 1 29 TYR HE2 . 31 . HE1 1 1 200 1 1 1 1 23 GLY QA . 25 . HA# 1 1 200 1 2 1 1 24 SER H . 26 . HN 1 1 201 1 1 1 1 23 GLY QA . 25 . HA# 1 1 201 1 2 1 1 35 PHE QD . 37 . HD2 1 1 202 1 1 1 1 23 GLY QA . 25 . HA# 1 1 202 1 2 1 1 35 PHE QE . 37 . HE# 1 1 203 1 1 1 1 23 GLY QA . 25 . HA# 1 1 203 1 2 1 1 48 LEU QB . 50 . HB# 1 1 204 1 1 1 1 23 GLY QA . 25 . HA# 1 1 204 1 2 1 1 48 LEU MD1 . 50 . HD1* 1 1 205 1 1 1 1 24 SER H . 26 . HN 1 1 205 1 2 1 1 24 SER QB . 26 . HB# 1 1 206 1 1 1 1 24 SER H . 26 . HN 1 1 206 1 2 1 1 25 ASP H . 27 . HN 1 1 207 1 1 1 1 24 SER H . 26 . HN 1 1 207 1 2 1 1 25 ASP HB3 . 27 . HB1 1 1 208 1 1 1 1 24 SER H . 26 . HN 1 1 208 1 2 1 1 26 ASN H . 28 . HN 1 1 209 1 1 1 1 24 SER H . 26 . HN 1 1 209 1 2 1 1 35 PHE QE . 37 . HE2 1 1 210 1 1 1 1 24 SER H . 26 . HN 1 1 210 1 2 1 1 46 LEU HA . 48 . HA 1 1 211 1 1 1 1 24 SER H . 26 . HN 1 1 211 1 2 1 1 46 LEU MD1 . 48 . HD1* 1 1 212 1 1 1 1 24 SER H . 26 . HN 1 1 212 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 213 1 1 1 1 24 SER H . 26 . HN 1 1 213 1 2 1 1 48 LEU H . 50 . HN 1 1 214 1 1 1 1 24 SER H . 26 . HN 1 1 214 1 2 1 1 48 LEU HA . 50 . HA 1 1 215 1 1 1 1 24 SER H . 26 . HN 1 1 215 1 2 1 1 48 LEU MD1 . 50 . HD1* 1 1 216 1 1 1 1 24 SER H . 26 . HN 1 1 216 1 2 1 1 49 SER QB . 51 . HB# 1 1 217 1 1 1 1 24 SER HA . 26 . HA 1 1 217 1 2 1 1 25 ASP H . 27 . HN 1 1 218 1 1 1 1 24 SER HA . 26 . HA 1 1 218 1 2 1 1 26 ASN H . 28 . HN 1 1 219 1 1 1 1 24 SER HA . 26 . HA 1 1 219 1 2 1 1 49 SER QB . 51 . HB# 1 1 220 1 1 1 1 24 SER QB . 26 . HB# 1 1 220 1 2 1 1 47 THR H . 49 . HN 1 1 221 1 1 1 1 25 ASP H . 27 . HN 1 1 221 1 2 1 1 25 ASP HB3 . 27 . HB1 1 1 222 1 1 1 1 25 ASP H . 27 . HN 1 1 222 1 2 1 1 25 ASP HB2 . 27 . HB2 1 1 223 1 1 1 1 25 ASP H . 27 . HN 1 1 223 1 2 1 1 26 ASN H . 28 . HN 1 1 224 1 1 1 1 25 ASP H . 27 . HN 1 1 224 1 2 1 1 27 LYS H . 29 . HN 1 1 225 1 1 1 1 25 ASP H . 27 . HN 1 1 225 1 2 1 1 46 LEU MD1 . 48 . HD1* 1 1 226 1 1 1 1 25 ASP HB3 . 27 . HB1 1 1 226 1 2 1 1 26 ASN H . 28 . HN 1 1 227 1 1 1 1 25 ASP HB2 . 27 . HB2 1 1 227 1 2 1 1 26 ASN H . 28 . HN 1 1 228 1 1 1 1 25 ASP HB3 . 27 . HB1 1 1 228 1 2 1 1 27 LYS H . 29 . HN 1 1 229 1 1 1 1 25 ASP HB2 . 27 . HB2 1 1 229 1 2 1 1 27 LYS H . 29 . HN 1 1 230 1 1 1 1 25 ASP HB3 . 27 . HB1 1 1 230 1 2 1 1 47 THR H . 49 . HN 1 1 231 1 1 1 1 26 ASN H . 28 . HN 1 1 231 1 2 1 1 26 ASN HA . 28 . HA 1 1 232 1 1 1 1 26 ASN H . 28 . HN 1 1 232 1 2 1 1 26 ASN HB3 . 28 . HB1 1 1 233 1 1 1 1 26 ASN H . 28 . HN 1 1 233 1 2 1 1 26 ASN HB2 . 28 . HB2 1 1 234 1 1 1 1 26 ASN H . 28 . HN 1 1 234 1 2 1 1 27 LYS H . 29 . HN 1 1 235 1 1 1 1 26 ASN H . 28 . HN 1 1 235 1 2 1 1 27 LYS QB . 29 . HB# 1 1 236 1 1 1 1 27 LYS H . 29 . HN 1 1 236 1 2 1 1 27 LYS QB . 29 . HB# 1 1 237 1 1 1 1 27 LYS H . 29 . HN 1 1 237 1 2 1 1 27 LYS QG . 29 . HG# 1 1 238 1 1 1 1 27 LYS H . 29 . HN 1 1 238 1 2 1 1 27 LYS QD . 29 . HD# 1 1 239 1 1 1 1 27 LYS HA . 29 . HA 1 1 239 1 2 1 1 28 THR H . 30 . HN 1 1 240 1 1 1 1 27 LYS QB . 29 . HB# 1 1 240 1 2 1 1 28 THR H . 30 . HN 1 1 241 1 1 1 1 27 LYS QG . 29 . HG# 1 1 241 1 2 1 1 28 THR H . 30 . HN 1 1 242 1 1 1 1 27 LYS QD . 29 . HD# 1 1 242 1 2 1 1 28 THR H . 30 . HN 1 1 243 1 1 1 1 28 THR H . 30 . HN 1 1 243 1 2 1 1 28 THR HB . 30 . HB 1 1 244 1 1 1 1 28 THR H . 30 . HN 1 1 244 1 2 1 1 28 THR MG . 30 . HG2# 1 1 245 1 1 1 1 28 THR H . 30 . HN 1 1 245 1 2 1 1 29 TYR H . 31 . HN 1 1 246 1 1 1 1 28 THR H . 30 . HN 1 1 246 1 2 1 1 54 CYS QB . 56 . HB# 1 1 247 1 1 1 1 28 THR HB . 30 . HB 1 1 247 1 2 1 1 29 TYR H . 31 . HN 1 1 248 1 1 1 1 28 THR MG . 30 . HG2# 1 1 248 1 2 1 1 29 TYR H . 31 . HN 1 1 249 1 1 1 1 28 THR MG . 30 . HG2# 1 1 249 1 2 1 1 29 TYR HA . 31 . HA 1 1 250 1 1 1 1 28 THR MG . 30 . HG2# 1 1 250 1 2 1 1 30 GLY H . 32 . HN 1 1 251 1 1 1 1 28 THR MG . 30 . HG2# 1 1 251 1 2 1 1 53 LYS H . 55 . HN 1 1 252 1 1 1 1 29 TYR H . 31 . HN 1 1 252 1 2 1 1 29 TYR HB3 . 31 . HB1 1 1 253 1 1 1 1 29 TYR H . 31 . HN 1 1 253 1 2 1 1 29 TYR HB2 . 31 . HB2 1 1 254 1 1 1 1 29 TYR H . 31 . HN 1 1 254 1 2 1 1 29 TYR QE . 31 . HE# 1 1 255 1 1 1 1 29 TYR H . 31 . HN 1 1 255 1 2 1 1 30 GLY H . 32 . HN 1 1 256 1 1 1 1 29 TYR HA . 31 . HA 1 1 256 1 2 1 1 30 GLY H . 32 . HN 1 1 257 1 1 1 1 29 TYR HA . 31 . HA 1 1 257 1 2 1 1 31 ASN H . 33 . HN 1 1 258 1 1 1 1 29 TYR HB3 . 31 . HB1 1 1 258 1 2 1 1 29 TYR QD . 31 . HD# 1 1 259 1 1 1 1 29 TYR HB2 . 31 . HB2 1 1 259 1 2 1 1 29 TYR QD . 31 . HD# 1 1 260 1 1 1 1 29 TYR HB3 . 31 . HB1 1 1 260 1 2 1 1 30 GLY H . 32 . HN 1 1 261 1 1 1 1 29 TYR HB2 . 31 . HB2 1 1 261 1 2 1 1 30 GLY H . 32 . HN 1 1 262 1 1 1 1 29 TYR QD . 31 . HD# 1 1 262 1 2 1 1 30 GLY H . 32 . HN 1 1 263 1 1 1 1 29 TYR QE . 31 . HE# 1 1 263 1 2 1 1 35 PHE HA . 37 . HA 1 1 264 1 1 1 1 29 TYR QD . 31 . HD# 1 1 264 1 2 1 1 35 PHE QD . 37 . HD# 1 1 265 1 1 1 1 29 TYR QE . 31 . HE# 1 1 265 1 2 1 1 38 ALA MB . 40 . HB# 1 1 266 1 1 1 1 30 GLY H . 32 . HN 1 1 266 1 2 1 1 31 ASN H . 33 . HN 1 1 267 1 1 1 1 30 GLY H . 32 . HN 1 1 267 1 2 1 1 34 ASN HB3 . 36 . HB1 1 1 268 1 1 1 1 30 GLY H . 32 . HN 1 1 268 1 2 1 1 34 ASN HB2 . 36 . HB2 1 1 269 1 1 1 1 30 GLY QA . 32 . HA# 1 1 269 1 2 1 1 31 ASN H . 33 . HN 1 1 270 1 1 1 1 31 ASN H . 33 . HN 1 1 270 1 2 1 1 31 ASN HB3 . 33 . HB1 1 1 271 1 1 1 1 31 ASN H . 33 . HN 1 1 271 1 2 1 1 34 ASN HB3 . 36 . HB1 1 1 272 1 1 1 1 31 ASN H . 33 . HN 1 1 272 1 2 1 1 34 ASN HB2 . 36 . HB2 1 1 273 1 1 1 1 31 ASN HA . 33 . HA 1 1 273 1 2 1 1 32 LYS H . 34 . HN 1 1 274 1 1 1 1 31 ASN QD . 33 . HD2# 1 1 274 1 2 1 1 34 ASN H . 36 . HN 1 1 275 1 1 1 1 32 LYS H . 34 . HN 1 1 275 1 2 1 1 33 CYS H . 35 . HN 1 1 276 1 1 1 1 32 LYS H . 34 . HN 1 1 276 1 2 1 1 34 ASN H . 36 . HN 1 1 277 1 1 1 1 32 LYS H . 34 . HN 1 1 277 1 2 1 1 35 PHE H . 37 . HN 1 1 278 1 1 1 1 32 LYS H . 34 . HN 1 1 278 1 2 1 1 35 PHE HB3 . 37 . HB1 1 1 279 1 1 1 1 32 LYS H . 34 . HN 1 1 279 1 2 1 1 35 PHE HB2 . 37 . HB2 1 1 280 1 1 1 1 32 LYS HA . 34 . HA 1 1 280 1 2 1 1 33 CYS H . 35 . HN 1 1 281 1 1 1 1 32 LYS HA . 34 . HA 1 1 281 1 2 1 1 35 PHE H . 37 . HN 1 1 282 1 1 1 1 32 LYS HA . 34 . HA 1 1 282 1 2 1 1 35 PHE QD . 37 . HD# 1 1 283 1 1 1 1 32 LYS HA . 34 . HA 1 1 283 1 2 1 1 36 CYS H . 38 . HN 1 1 284 1 1 1 1 33 CYS H . 35 . HN 1 1 284 1 2 1 1 33 CYS HB3 . 35 . HB1 1 1 285 1 1 1 1 33 CYS H . 35 . HN 1 1 285 1 2 1 1 33 CYS HB2 . 35 . HB2 1 1 286 1 1 1 1 33 CYS H . 35 . HN 1 1 286 1 2 1 1 34 ASN H . 36 . HN 1 1 287 1 1 1 1 33 CYS HB3 . 35 . HB1 1 1 287 1 2 1 1 34 ASN H . 36 . HN 1 1 288 1 1 1 1 33 CYS HB2 . 35 . HB2 1 1 288 1 2 1 1 34 ASN H . 36 . HN 1 1 289 1 1 1 1 34 ASN H . 36 . HN 1 1 289 1 2 1 1 34 ASN HB3 . 36 . HB1 1 1 290 1 1 1 1 34 ASN H . 36 . HN 1 1 290 1 2 1 1 34 ASN HB2 . 36 . HB2 1 1 291 1 1 1 1 34 ASN H . 36 . HN 1 1 291 1 2 1 1 34 ASN QD . 36 . HD2# 1 1 292 1 1 1 1 34 ASN HA . 36 . HA 1 1 292 1 2 1 1 37 ASN H . 39 . HN 1 1 293 1 1 1 1 34 ASN QD . 36 . HD2# 1 1 293 1 2 1 1 35 PHE H . 37 . HN 1 1 294 1 1 1 1 35 PHE H . 37 . HN 1 1 294 1 2 1 1 35 PHE HB3 . 37 . HB1 1 1 295 1 1 1 1 35 PHE H . 37 . HN 1 1 295 1 2 1 1 35 PHE HB2 . 37 . HB2 1 1 296 1 1 1 1 35 PHE H . 37 . HN 1 1 296 1 2 1 1 35 PHE QD . 37 . HD# 1 1 297 1 1 1 1 35 PHE H . 37 . HN 1 1 297 1 2 1 1 36 CYS H . 38 . HN 1 1 298 1 1 1 1 35 PHE H . 37 . HN 1 1 298 1 2 1 1 36 CYS QB . 38 . HB2 1 1 299 1 1 1 1 35 PHE HA . 37 . HA 1 1 299 1 2 1 1 35 PHE QD . 37 . HD# 1 1 300 1 1 1 1 35 PHE HA . 37 . HA 1 1 300 1 2 1 1 36 CYS H . 38 . HN 1 1 301 1 1 1 1 35 PHE HA . 37 . HA 1 1 301 1 2 1 1 37 ASN H . 39 . HN 1 1 302 1 1 1 1 35 PHE HA . 37 . HA 1 1 302 1 2 1 1 38 ALA H . 40 . HN 1 1 303 1 1 1 1 35 PHE HA . 37 . HA 1 1 303 1 2 1 1 38 ALA MB . 40 . HB# 1 1 304 1 1 1 1 35 PHE HA . 37 . HA 1 1 304 1 2 1 1 39 VAL H . 41 . HN 1 1 305 1 1 1 1 35 PHE HA . 37 . HA 1 1 305 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 306 1 1 1 1 35 PHE HB3 . 37 . HB1 1 1 306 1 2 1 1 35 PHE QD . 37 . HD# 1 1 307 1 1 1 1 35 PHE HB2 . 37 . HB2 1 1 307 1 2 1 1 35 PHE QD . 37 . HD# 1 1 308 1 1 1 1 35 PHE HB3 . 37 . HB1 1 1 308 1 2 1 1 36 CYS H . 38 . HN 1 1 309 1 1 1 1 35 PHE HB2 . 37 . HB2 1 1 309 1 2 1 1 36 CYS H . 38 . HN 1 1 310 1 1 1 1 35 PHE HB3 . 37 . HB1 1 1 310 1 2 1 1 36 CYS QB . 38 . HB2 1 1 311 1 1 1 1 35 PHE QD . 37 . HD# 1 1 311 1 2 1 1 36 CYS H . 38 . HN 1 1 312 1 1 1 1 35 PHE QD . 37 . HD# 1 1 312 1 2 1 1 36 CYS HA . 38 . HA 1 1 313 1 1 1 1 35 PHE QE . 37 . HE# 1 1 313 1 2 1 1 36 CYS HA . 38 . HA 1 1 314 1 1 1 1 35 PHE QE . 37 . HE# 1 1 314 1 2 1 1 38 ALA MB . 40 . HB# 1 1 315 1 1 1 1 35 PHE QE . 37 . HE# 1 1 315 1 2 1 1 39 VAL H . 41 . HN 1 1 316 1 1 1 1 35 PHE QE . 37 . HE2 1 1 316 1 2 1 1 46 LEU MD1 . 48 . HD1* 1 1 317 1 1 1 1 35 PHE QE . 37 . HE2 1 1 317 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 318 1 1 1 1 35 PHE QE . 37 . HE# 1 1 318 1 2 1 1 47 THR HA . 49 . HA 1 1 319 1 1 1 1 35 PHE QD . 37 . HD# 1 1 319 1 2 1 1 48 LEU HA . 50 . HA 1 1 320 1 1 1 1 35 PHE QE . 37 . HE# 1 1 320 1 2 1 1 48 LEU HA . 50 . HA 1 1 321 1 1 1 1 35 PHE QD . 37 . HD# 1 1 321 1 2 1 1 48 LEU QB . 50 . HB# 1 1 322 1 1 1 1 35 PHE QE . 37 . HE# 1 1 322 1 2 1 1 48 LEU QB . 50 . HB# 1 1 323 1 1 1 1 35 PHE QE . 37 . HE# 1 1 323 1 2 1 1 48 LEU HG . 50 . HG 1 1 324 1 1 1 1 35 PHE QD . 37 . HD# 1 1 324 1 2 1 1 48 LEU MD1 . 50 . HD1* 1 1 325 1 1 1 1 35 PHE QE . 37 . HE# 1 1 325 1 2 1 1 48 LEU MD1 . 50 . HD1* 1 1 326 1 1 1 1 35 PHE QE . 37 . HE1 1 1 326 1 2 1 1 48 LEU MD2 . 50 . HD2* 1 1 327 1 1 1 1 36 CYS H . 38 . HN 1 1 327 1 2 1 1 36 CYS QB . 38 . HB1 1 1 328 1 1 1 1 36 CYS H . 38 . HN 1 1 328 1 2 1 1 37 ASN H . 39 . HN 1 1 329 1 1 1 1 36 CYS H . 38 . HN 1 1 329 1 2 1 1 38 ALA H . 40 . HN 1 1 330 1 1 1 1 36 CYS H . 38 . HN 1 1 330 1 2 1 1 39 VAL HB . 41 . HB 1 1 331 1 1 1 1 36 CYS H . 38 . HN 1 1 331 1 2 1 1 39 VAL MG2 . 41 . HG2* 1 1 332 1 1 1 1 36 CYS HA . 38 . HA 1 1 332 1 2 1 1 37 ASN H . 39 . HN 1 1 333 1 1 1 1 36 CYS HA . 38 . HA 1 1 333 1 2 1 1 38 ALA H . 40 . HN 1 1 334 1 1 1 1 36 CYS HA . 38 . HA 1 1 334 1 2 1 1 39 VAL H . 41 . HN 1 1 335 1 1 1 1 36 CYS HA . 38 . HA 1 1 335 1 2 1 1 39 VAL HB . 41 . HB 1 1 336 1 1 1 1 36 CYS HA . 38 . HA 1 1 336 1 2 1 1 39 VAL MG1 . 41 . HG1* 1 1 337 1 1 1 1 36 CYS HA . 38 . HA 1 1 337 1 2 1 1 39 VAL MG2 . 41 . HG2* 1 1 338 1 1 1 1 36 CYS QB . 38 . HB1 1 1 338 1 2 1 1 37 ASN H . 39 . HN 1 1 339 1 1 1 1 37 ASN H . 39 . HN 1 1 339 1 2 1 1 37 ASN HB3 . 39 . HB1 1 1 340 1 1 1 1 37 ASN H . 39 . HN 1 1 340 1 2 1 1 37 ASN HB2 . 39 . HB2 1 1 341 1 1 1 1 37 ASN H . 39 . HN 1 1 341 1 2 1 1 38 ALA H . 40 . HN 1 1 342 1 1 1 1 37 ASN HA . 39 . HA 1 1 342 1 2 1 1 38 ALA H . 40 . HN 1 1 343 1 1 1 1 37 ASN HA . 39 . HA 1 1 343 1 2 1 1 40 VAL H . 42 . HN 1 1 344 1 1 1 1 37 ASN HA . 39 . HA 1 1 344 1 2 1 1 41 GLU H . 43 . HN 1 1 345 1 1 1 1 37 ASN HB3 . 39 . HB1 1 1 345 1 2 1 1 38 ALA H . 40 . HN 1 1 346 1 1 1 1 37 ASN HB2 . 39 . HB2 1 1 346 1 2 1 1 38 ALA H . 40 . HN 1 1 347 1 1 1 1 38 ALA H . 40 . HN 1 1 347 1 2 1 1 38 ALA MB . 40 . HB# 1 1 348 1 1 1 1 38 ALA H . 40 . HN 1 1 348 1 2 1 1 39 VAL H . 41 . HN 1 1 349 1 1 1 1 38 ALA H . 40 . HN 1 1 349 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 350 1 1 1 1 38 ALA HA . 40 . HA 1 1 350 1 2 1 1 39 VAL H . 41 . HN 1 1 351 1 1 1 1 38 ALA HA . 40 . HA 1 1 351 1 2 1 1 40 VAL H . 42 . HN 1 1 352 1 1 1 1 38 ALA HA . 40 . HA 1 1 352 1 2 1 1 41 GLU H . 43 . HN 1 1 353 1 1 1 1 38 ALA HA . 40 . HA 1 1 353 1 2 1 1 41 GLU QB . 43 . HB# 1 1 354 1 1 1 1 38 ALA MB . 40 . HB# 1 1 354 1 2 1 1 39 VAL H . 41 . HN 1 1 355 1 1 1 1 38 ALA MB . 40 . HB# 1 1 355 1 2 1 1 39 VAL HA . 41 . HA 1 1 356 1 1 1 1 38 ALA MB . 40 . HB# 1 1 356 1 2 1 1 42 SER H . 44 . HN 1 1 357 1 1 1 1 38 ALA MB . 40 . HB# 1 1 357 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 358 1 1 1 1 38 ALA MB . 40 . HB1 1 1 358 1 2 1 1 46 LEU MD1 . 48 . HD1* 1 1 359 1 1 1 1 39 VAL H . 41 . HN 1 1 359 1 2 1 1 39 VAL HB . 41 . HB 1 1 360 1 1 1 1 39 VAL H . 41 . HN 1 1 360 1 2 1 1 39 VAL MG2 . 41 . HG2* 1 1 361 1 1 1 1 39 VAL H . 41 . HN 1 1 361 1 2 1 1 40 VAL H . 42 . HN 1 1 362 1 1 1 1 39 VAL H . 41 . HN 1 1 362 1 2 1 1 40 VAL HB . 42 . HB 1 1 363 1 1 1 1 39 VAL H . 41 . HN 1 1 363 1 2 1 1 40 VAL MG2 . 42 . HG2* 1 1 364 1 1 1 1 39 VAL H . 41 . HN 1 1 364 1 2 1 1 41 GLU QG . 43 . HG# 1 1 365 1 1 1 1 39 VAL H . 41 . HN 1 1 365 1 2 1 1 46 LEU QB . 48 . HB# 1 1 366 1 1 1 1 39 VAL H . 41 . HN 1 1 366 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 367 1 1 1 1 39 VAL HA . 41 . HA 1 1 367 1 2 1 1 40 VAL H . 42 . HN 1 1 368 1 1 1 1 39 VAL HA . 41 . HA 1 1 368 1 2 1 1 42 SER H . 44 . HN 1 1 369 1 1 1 1 39 VAL HA . 41 . HA 1 1 369 1 2 1 1 46 LEU H . 48 . HN 1 1 370 1 1 1 1 39 VAL HA . 41 . HA 1 1 370 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 371 1 1 1 1 39 VAL HB . 41 . HB 1 1 371 1 2 1 1 40 VAL H . 42 . HN 1 1 372 1 1 1 1 39 VAL MG1 . 41 . HG1* 1 1 372 1 2 1 1 40 VAL H . 42 . HN 1 1 373 1 1 1 1 39 VAL MG2 . 41 . HG2* 1 1 373 1 2 1 1 40 VAL H . 42 . HN 1 1 374 1 1 1 1 39 VAL MG1 . 41 . HG1* 1 1 374 1 2 1 1 40 VAL HA . 42 . HA 1 1 375 1 1 1 1 39 VAL MG1 . 41 . HG1* 1 1 375 1 2 1 1 44 GLY H . 46 . HN 1 1 376 1 1 1 1 39 VAL MG1 . 41 . HG1* 1 1 376 1 2 1 1 44 GLY QA . 46 . HA# 1 1 377 1 1 1 1 39 VAL MG1 . 41 . HG1* 1 1 377 1 2 1 1 45 THR H . 47 . HN 1 1 378 1 1 1 1 39 VAL MG1 . 41 . HG1* 1 1 378 1 2 1 1 46 LEU H . 48 . HN 1 1 379 1 1 1 1 39 VAL MG2 . 41 . HG2* 1 1 379 1 2 1 1 46 LEU H . 48 . HN 1 1 380 1 1 1 1 39 VAL MG1 . 41 . HG1* 1 1 380 1 2 1 1 46 LEU QB . 48 . HB# 1 1 381 1 1 1 1 39 VAL MG2 . 41 . HG2* 1 1 381 1 2 1 1 46 LEU QB . 48 . HB# 1 1 382 1 1 1 1 39 VAL MG2 . 41 . HG2* 1 1 382 1 2 1 1 46 LEU HG . 48 . HG 1 1 383 1 1 1 1 39 VAL MG2 . 41 . HG2* 1 1 383 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 384 1 1 1 1 40 VAL H . 42 . HN 1 1 384 1 2 1 1 40 VAL HB . 42 . HB 1 1 385 1 1 1 1 40 VAL H . 42 . HN 1 1 385 1 2 1 1 41 GLU H . 43 . HN 1 1 386 1 1 1 1 40 VAL H . 42 . HN 1 1 386 1 2 1 1 41 GLU QG . 43 . HG# 1 1 387 1 1 1 1 40 VAL H . 42 . HN 1 1 387 1 2 1 1 42 SER H . 44 . HN 1 1 388 1 1 1 1 40 VAL HA . 42 . HA 1 1 388 1 2 1 1 41 GLU H . 43 . HN 1 1 389 1 1 1 1 40 VAL HA . 42 . HA 1 1 389 1 2 1 1 42 SER H . 44 . HN 1 1 390 1 1 1 1 40 VAL HA . 42 . HA 1 1 390 1 2 1 1 43 ASN H . 45 . HN 1 1 391 1 1 1 1 40 VAL HA . 42 . HA 1 1 391 1 2 1 1 44 GLY H . 46 . HN 1 1 392 1 1 1 1 40 VAL HB . 42 . HB# 1 1 392 1 2 1 1 41 GLU H . 43 . HN 1 1 393 1 1 1 1 40 VAL MG1 . 42 . HG1* 1 1 393 1 2 1 1 41 GLU H . 43 . HN 1 1 394 1 1 1 1 40 VAL MG2 . 42 . HG2* 1 1 394 1 2 1 1 41 GLU H . 43 . HN 1 1 395 1 1 1 1 40 VAL QG . 42 . HG* 1 1 395 1 2 1 1 41 GLU QG . 43 . HG# 1 1 396 1 1 1 1 41 GLU H . 43 . HN 1 1 396 1 2 1 1 41 GLU QB . 43 . HB# 1 1 397 1 1 1 1 41 GLU H . 43 . HN 1 1 397 1 2 1 1 41 GLU QG . 43 . HG# 1 1 398 1 1 1 1 41 GLU H . 43 . HN 1 1 398 1 2 1 1 42 SER H . 44 . HN 1 1 399 1 1 1 1 41 GLU HA . 43 . HA 1 1 399 1 2 1 1 42 SER H . 44 . HN 1 1 400 1 1 1 1 41 GLU QB . 43 . HB# 1 1 400 1 2 1 1 42 SER H . 44 . HN 1 1 401 1 1 1 1 41 GLU QG . 43 . HG# 1 1 401 1 2 1 1 42 SER H . 44 . HN 1 1 402 1 1 1 1 42 SER H . 44 . HN 1 1 402 1 2 1 1 42 SER QB . 44 . HB# 1 1 403 1 1 1 1 42 SER H . 44 . HN 1 1 403 1 2 1 1 43 ASN H . 45 . HN 1 1 404 1 1 1 1 42 SER HA . 44 . HA 1 1 404 1 2 1 1 43 ASN H . 45 . HN 1 1 405 1 1 1 1 42 SER QB . 44 . HB# 1 1 405 1 2 1 1 46 LEU H . 48 . HN 1 1 406 1 1 1 1 43 ASN H . 45 . HN 1 1 406 1 2 1 1 43 ASN HB3 . 45 . HB1 1 1 407 1 1 1 1 43 ASN H . 45 . HN 1 1 407 1 2 1 1 43 ASN HB2 . 45 . HB2 1 1 408 1 1 1 1 43 ASN H . 45 . HN 1 1 408 1 2 1 1 44 GLY H . 46 . HN 1 1 409 1 1 1 1 43 ASN HA . 45 . HA 1 1 409 1 2 1 1 44 GLY H . 46 . HN 1 1 410 1 1 1 1 44 GLY H . 46 . HN 1 1 410 1 2 1 1 45 THR H . 47 . HN 1 1 411 1 1 1 1 44 GLY H . 46 . HN 1 1 411 1 2 1 1 45 THR MG . 47 . HG2# 1 1 412 1 1 1 1 44 GLY QA . 46 . HA# 1 1 412 1 2 1 1 45 THR H . 47 . HN 1 1 413 1 1 1 1 44 GLY QA . 46 . HA# 1 1 413 1 2 1 1 46 LEU H . 48 . HN 1 1 414 1 1 1 1 45 THR H . 47 . HN 1 1 414 1 2 1 1 45 THR MG . 47 . HG2# 1 1 415 1 1 1 1 45 THR H . 47 . HN 1 1 415 1 2 1 1 46 LEU H . 48 . HN 1 1 416 1 1 1 1 45 THR H . 47 . HN 1 1 416 1 2 1 1 46 LEU QB . 48 . HB# 1 1 417 1 1 1 1 45 THR HA . 47 . HA 1 1 417 1 2 1 1 46 LEU H . 48 . HN 1 1 418 1 1 1 1 46 LEU H . 48 . HN 1 1 418 1 2 1 1 46 LEU QB . 48 . HB# 1 1 419 1 1 1 1 46 LEU H . 48 . HN 1 1 419 1 2 1 1 46 LEU MD1 . 48 . HD1* 1 1 420 1 1 1 1 46 LEU H . 48 . HN 1 1 420 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 421 1 1 1 1 46 LEU H . 48 . HN 1 1 421 1 2 1 1 47 THR H . 49 . HN 1 1 422 1 1 1 1 46 LEU HA . 48 . HA 1 1 422 1 2 1 1 47 THR H . 49 . HN 1 1 423 1 1 1 1 46 LEU MD1 . 48 . HD1* 1 1 423 1 2 1 1 47 THR H . 49 . HN 1 1 424 1 1 1 1 47 THR H . 49 . HN 1 1 424 1 2 1 1 47 THR MG . 49 . HG2# 1 1 425 1 1 1 1 47 THR HA . 49 . HA 1 1 425 1 2 1 1 47 THR HB . 49 . HB 1 1 426 1 1 1 1 47 THR HA . 49 . HA 1 1 426 1 2 1 1 48 LEU H . 50 . HN 1 1 427 1 1 1 1 47 THR HB . 49 . HB 1 1 427 1 2 1 1 48 LEU H . 50 . HN 1 1 428 1 1 1 1 47 THR MG . 49 . HG2# 1 1 428 1 2 1 1 48 LEU H . 50 . HN 1 1 429 1 1 1 1 48 LEU H . 50 . HN 1 1 429 1 2 1 1 48 LEU QB . 50 . HB# 1 1 430 1 1 1 1 48 LEU H . 50 . HN 1 1 430 1 2 1 1 48 LEU HG . 50 . HG 1 1 431 1 1 1 1 48 LEU H . 50 . HN 1 1 431 1 2 1 1 48 LEU MD1 . 50 . HD1* 1 1 432 1 1 1 1 48 LEU H . 50 . HN 1 1 432 1 2 1 1 48 LEU MD2 . 50 . HD2* 1 1 433 1 1 1 1 48 LEU HA . 50 . HA 1 1 433 1 2 1 1 49 SER H . 51 . HN 1 1 434 1 1 1 1 48 LEU HG . 50 . HG 1 1 434 1 2 1 1 49 SER H . 51 . HN 1 1 435 1 1 1 1 48 LEU HG . 50 . HG 1 1 435 1 2 1 1 49 SER HA . 51 . HA 1 1 436 1 1 1 1 48 LEU HG . 50 . HG 1 1 436 1 2 1 1 50 HIS H . 52 . HN 1 1 437 1 1 1 1 48 LEU HG . 50 . HG 1 1 437 1 2 1 1 50 HIS HA . 52 . HA 1 1 438 1 1 1 1 48 LEU MD1 . 50 . HD1* 1 1 438 1 2 1 1 49 SER H . 51 . HN 1 1 439 1 1 1 1 48 LEU MD1 . 50 . HD1* 1 1 439 1 2 1 1 50 HIS H . 52 . HN 1 1 440 1 1 1 1 48 LEU MD2 . 50 . HD2* 1 1 440 1 2 1 1 50 HIS H . 52 . HN 1 1 441 1 1 1 1 48 LEU MD1 . 50 . HD1* 1 1 441 1 2 1 1 50 HIS HA . 52 . HA 1 1 442 1 1 1 1 48 LEU MD2 . 50 . HD2* 1 1 442 1 2 1 1 50 HIS HA . 52 . HA 1 1 443 1 1 1 1 48 LEU MD1 . 50 . HD1* 1 1 443 1 2 1 1 51 PHE H . 53 . HN 1 1 444 1 1 1 1 48 LEU MD2 . 50 . HD2* 1 1 444 1 2 1 1 51 PHE H . 53 . HN 1 1 445 1 1 1 1 48 LEU MD2 . 50 . HD2* 1 1 445 1 2 1 1 51 PHE HD1 . 53 . HD1 1 1 446 1 1 1 1 48 LEU MD1 . 50 . HD1* 1 1 446 1 2 1 1 51 PHE HD2 . 53 . HD2 1 1 447 1 1 1 1 48 LEU MD2 . 50 . HD2* 1 1 447 1 2 1 1 51 PHE HD2 . 53 . HD2 1 1 448 1 1 1 1 48 LEU MD2 . 50 . HD2* 1 1 448 1 2 1 1 51 PHE QE . 53 . HE# 1 1 449 1 1 1 1 49 SER H . 51 . HN 1 1 449 1 2 1 1 49 SER QB . 51 . HB# 1 1 450 1 1 1 1 49 SER QB . 51 . HB# 1 1 450 1 2 1 1 50 HIS H . 52 . HN 1 1 451 1 1 1 1 50 HIS H . 52 . HN 1 1 451 1 2 1 1 50 HIS QB . 52 . HB# 1 1 452 1 1 1 1 50 HIS HA . 52 . HA 1 1 452 1 2 1 1 51 PHE H . 53 . HN 1 1 453 1 1 1 1 50 HIS QB . 52 . HB# 1 1 453 1 2 1 1 51 PHE H . 53 . HN 1 1 454 1 1 1 1 50 HIS HE1 . 52 . HE1 1 1 454 1 2 1 1 52 GLY H . 54 . HN 1 1 455 1 1 1 1 50 HIS HE1 . 52 . HE1 1 1 455 1 2 1 1 52 GLY QA . 54 . HA# 1 1 456 1 1 1 1 50 HIS HE1 . 52 . HE1 1 1 456 1 2 1 1 54 CYS HA . 56 . HA 1 1 457 1 1 1 1 50 HIS HE1 . 52 . HE1 1 1 457 1 2 1 1 54 CYS QB . 56 . HB# 1 1 458 1 1 1 1 51 PHE H . 53 . HN 1 1 458 1 2 1 1 51 PHE HB3 . 53 . HB1 1 1 459 1 1 1 1 51 PHE H . 53 . HN 1 1 459 1 2 1 1 51 PHE HB2 . 53 . HB2 1 1 460 1 1 1 1 51 PHE HA . 53 . HA 1 1 460 1 2 1 1 51 PHE QD . 53 . HD# 1 1 461 1 1 1 1 51 PHE HA . 53 . HA 1 1 461 1 2 1 1 52 GLY H . 54 . HN 1 1 462 1 1 1 1 51 PHE HB3 . 53 . HB1 1 1 462 1 2 1 1 52 GLY H . 54 . HN 1 1 463 1 1 1 1 51 PHE HB2 . 53 . HB2 1 1 463 1 2 1 1 52 GLY H . 54 . HN 1 1 464 1 1 1 1 52 GLY QA . 54 . HA# 1 1 464 1 2 1 1 53 LYS H . 55 . HN 1 1 465 1 1 1 1 53 LYS H . 55 . HN 1 1 465 1 2 1 1 53 LYS QB . 55 . HB# 1 1 466 1 1 1 1 53 LYS H . 55 . HN 1 1 466 1 2 1 1 53 LYS QG . 55 . HG# 1 1 467 1 1 1 1 53 LYS HA . 55 . HA 1 1 467 1 2 1 1 54 CYS H . 56 . HN 1 1 468 1 1 1 1 53 LYS QB . 55 . HB# 1 1 468 1 2 1 1 54 CYS H . 56 . HN 1 1 469 1 1 1 1 53 LYS QG . 55 . HG# 1 1 469 1 2 1 1 54 CYS H . 56 . HN 1 1 470 1 1 1 1 53 LYS QG . 55 . HG# 1 1 470 1 2 1 1 54 CYS QB . 56 . HB# 1 1 471 1 1 1 1 54 CYS H . 56 . HN 1 1 471 1 2 1 1 54 CYS QB . 56 . HB# 1 1 472 1 1 1 1 50 HIS H . 52 . HN 1 1 472 1 2 1 1 51 PHE H . 53 . HN 1 1 473 1 1 1 1 9 TYR HE2 . 11 . HE1 1 1 473 1 2 1 1 37 ASN HB2 . 39 . HB2 1 1 474 1 1 1 1 25 ASP H . 27 . HN 1 1 474 1 2 1 1 46 LEU HG . 48 . HG 1 1 475 1 1 1 1 22 CYS QB . 24 . HB# 1 1 475 1 2 1 1 49 SER H . 51 . HN 1 1 476 1 1 1 1 42 SER QB . 44 . HB# 1 1 476 1 2 1 1 43 ASN H . 45 . HN 1 1 477 1 1 1 1 20 PRO HA . 22 . HA 1 1 477 1 2 1 1 21 LEU HG . 23 . HG 1 1 478 1 1 1 1 21 LEU H . 23 . HN 1 1 478 1 2 1 1 29 TYR H . 31 . HN 1 1 479 1 1 1 1 20 PRO QG . 22 . HG# 1 1 479 1 2 1 1 53 LYS H . 55 . HN 1 1 480 1 1 1 1 4 VAL HB . 6 . HB 1 1 480 1 2 1 1 6 CYS H . 8 . HN 1 1 481 1 1 1 1 36 CYS H . 38 . HN 1 1 481 1 2 1 1 39 VAL H . 41 . HN 1 1 482 1 1 1 1 18 TYR HA . 20 . HA 1 1 482 1 2 1 1 31 ASN QD . 33 . HD2# 1 1 483 1 1 1 1 10 PRO HA . 12 . HA 1 1 483 1 2 1 1 11 LYS QG . 13 . HG# 1 1 484 1 1 1 1 13 ALA H . 15 . HN 1 1 484 1 2 1 1 14 CYS H . 16 . HN 1 1 485 1 1 1 1 2 VAL QG . 4 . HG* 1 1 485 1 2 1 1 3 SER QB . 5 . HB# 1 1 486 1 1 1 1 3 SER HA . 5 . HA 1 1 486 1 2 1 1 48 LEU MD2 . 50 . HD2* 1 1 487 1 1 1 1 5 ASP HA . 7 . HA 1 1 487 1 2 1 1 6 CYS H . 8 . HN 1 1 488 1 1 1 1 6 CYS HA . 8 . HA 1 1 488 1 2 1 1 9 TYR QD . 11 . HD# 1 1 489 1 1 1 1 6 CYS QB . 8 . HB# 1 1 489 1 2 1 1 39 VAL MG1 . 41 . HG1* 1 1 490 1 1 1 1 6 CYS HB3 . 8 . HB1 1 1 490 1 2 1 1 40 VAL MG2 . 42 . HG2* 1 1 491 1 1 1 1 7 SER H . 9 . HN 1 1 491 1 2 1 1 8 GLU QG . 10 . HG# 1 1 492 1 1 1 1 7 SER QB . 9 . HB# 1 1 492 1 2 1 1 8 GLU H . 10 . HN 1 1 493 1 1 1 1 9 TYR HA . 11 . HA 1 1 493 1 2 1 1 11 LYS QG . 13 . HG# 1 1 494 1 1 1 1 10 PRO QG . 12 . HG# 1 1 494 1 2 1 1 40 VAL MG1 . 42 . HG1* 1 1 495 1 1 1 1 10 PRO QG . 12 . HG# 1 1 495 1 2 1 1 40 VAL MG2 . 42 . HG2* 1 1 496 1 1 1 1 10 PRO QD . 12 . HD# 1 1 496 1 2 1 1 40 VAL HB . 42 . HB 1 1 497 1 1 1 1 17 GLU QG . 19 . HG# 1 1 497 1 2 1 1 19 ARG QG . 21 . HG# 1 1 498 1 1 1 1 17 GLU QG . 19 . HG# 1 1 498 1 2 1 1 31 ASN HB3 . 33 . HB1 1 1 499 1 1 1 1 17 GLU QG . 19 . HG# 1 1 499 1 2 1 1 31 ASN HB2 . 33 . HB2 1 1 500 1 1 1 1 19 ARG H . 21 . HN 1 1 500 1 2 1 1 31 ASN HA . 33 . HA 1 1 501 1 1 1 1 19 ARG QB . 21 . HB# 1 1 501 1 2 1 1 31 ASN HA . 33 . HA 1 1 502 1 1 1 1 20 PRO HA . 22 . HA 1 1 502 1 2 1 1 30 GLY QA . 32 . HA# 1 1 503 1 1 1 1 20 PRO HA . 22 . HA 1 1 503 1 2 1 1 21 LEU H . 23 . HN 1 1 504 1 1 1 1 20 PRO QB . 22 . HB# 1 1 504 1 2 1 1 30 GLY QA . 32 . HA# 1 1 505 1 1 1 1 20 PRO QB . 22 . HB# 1 1 505 1 2 1 1 53 LYS HA . 55 . HA 1 1 506 1 1 1 1 21 LEU QB . 23 . HB# 1 1 506 1 2 1 1 22 CYS QB . 24 . HB# 1 1 507 1 1 1 1 21 LEU HB3 . 23 . HB1 1 1 507 1 2 1 1 48 LEU HA . 50 . HA 1 1 508 1 1 1 1 21 LEU HG . 23 . HG 1 1 508 1 2 1 1 51 PHE HA . 53 . HA 1 1 509 1 1 1 1 21 LEU MD1 . 23 . HD1* 1 1 509 1 2 1 1 32 LYS QB . 34 . HB# 1 1 510 1 1 1 1 21 LEU MD2 . 23 . HD2* 1 1 510 1 2 1 1 32 LYS HB2 . 34 . HB2 1 1 511 1 1 1 1 22 CYS HA . 24 . HA 1 1 511 1 2 1 1 28 THR HA . 30 . HA 1 1 512 1 1 1 1 23 GLY H . 25 . HN 1 1 512 1 2 1 1 28 THR HA . 30 . HA 1 1 513 1 1 1 1 23 GLY H . 25 . HN 1 1 513 1 2 1 1 29 TYR QB . 31 . HB# 1 1 514 1 1 1 1 24 SER H . 26 . HN 1 1 514 1 2 1 1 47 THR HA . 49 . HA 1 1 515 1 1 1 1 24 SER H . 26 . HN 1 1 515 1 2 1 1 49 SER HA . 51 . HA 1 1 516 1 1 1 1 24 SER QB . 26 . HB# 1 1 516 1 2 1 1 46 LEU HG . 48 . HG 1 1 517 1 1 1 1 28 THR HA . 30 . HA 1 1 517 1 2 1 1 29 TYR H . 31 . HN 1 1 518 1 1 1 1 28 THR MG . 30 . HG2# 1 1 518 1 2 1 1 54 CYS H . 56 . HN 1 1 519 1 1 1 1 31 ASN H . 33 . HN 1 1 519 1 2 1 1 32 LYS H . 34 . HN 1 1 520 1 1 1 1 31 ASN HA . 33 . HA 1 1 520 1 2 1 1 34 ASN H . 36 . HN 1 1 521 1 1 1 1 33 CYS HA . 35 . HA 1 1 521 1 2 1 1 36 CYS H . 38 . HN 1 1 522 1 1 1 1 33 CYS HA . 35 . HA 1 1 522 1 2 1 1 37 ASN H . 39 . HN 1 1 523 1 1 1 1 34 ASN HA . 36 . HA 1 1 523 1 2 1 1 38 ALA H . 40 . HN 1 1 524 1 1 1 1 36 CYS HA . 38 . HA 1 1 524 1 2 1 1 40 VAL H . 42 . HN 1 1 525 1 1 1 1 36 CYS HA . 38 . HA 1 1 525 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 526 1 1 1 1 36 CYS QB . 38 . HB1 1 1 526 1 2 1 1 37 ASN HA . 39 . HA 1 1 527 1 1 1 1 37 ASN HA . 39 . HA 1 1 527 1 2 1 1 38 ALA MB . 40 . HB# 1 1 528 1 1 1 1 37 ASN HA . 39 . HA 1 1 528 1 2 1 1 40 VAL HB . 42 . HB 1 1 529 1 1 1 1 37 ASN HA . 39 . HA 1 1 529 1 2 1 1 40 VAL MG2 . 42 . HG2* 1 1 530 1 1 1 1 38 ALA HA . 40 . HA 1 1 530 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 531 1 1 1 1 38 ALA MB . 40 . HB# 1 1 531 1 2 1 1 39 VAL MG2 . 41 . HG2* 1 1 532 1 1 1 1 39 VAL HA . 41 . HA 1 1 532 1 2 1 1 46 LEU HG . 48 . HG 1 1 533 1 1 1 1 39 VAL HB . 41 . HB 1 1 533 1 2 1 1 40 VAL MG1 . 42 . HG1* 1 1 534 1 1 1 1 39 VAL HB . 41 . HB 1 1 534 1 2 1 1 40 VAL MG2 . 42 . HG2* 1 1 535 1 1 1 1 39 VAL HB . 41 . HB 1 1 535 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 536 1 1 1 1 40 VAL MG1 . 42 . HG1* 1 1 536 1 2 1 1 41 GLU QB . 43 . HB# 1 1 537 1 1 1 1 40 VAL MG2 . 42 . HG2* 1 1 537 1 2 1 1 41 GLU QB . 43 . HB# 1 1 538 1 1 1 1 42 SER QB . 44 . HB# 1 1 538 1 2 1 1 46 LEU QB . 48 . HB# 1 1 539 1 1 1 1 42 SER HB3 . 44 . HB1 1 1 539 1 2 1 1 46 LEU MD2 . 48 . HD2* 1 1 540 1 1 1 1 43 ASN HB3 . 45 . HB1 1 1 540 1 2 1 1 45 THR MG . 47 . HG2# 1 1 541 1 1 1 1 43 ASN HB2 . 45 . HB2 1 1 541 1 2 1 1 45 THR MG . 47 . HG2# 1 1 542 1 1 1 1 46 LEU HG . 48 . HG 1 1 542 1 2 1 1 47 THR HA . 49 . HA 1 1 543 1 1 1 1 46 LEU HG . 48 . HG 1 1 543 1 2 1 1 48 LEU HA . 50 . HA 1 1 544 1 1 1 1 48 LEU QB . 50 . HB# 1 1 544 1 2 1 1 49 SER H . 51 . HN 1 1 545 1 1 1 1 48 LEU QB . 50 . HB# 1 1 545 1 2 1 1 49 SER HA . 51 . HA 1 1 546 1 1 1 1 48 LEU QB . 50 . HB# 1 1 546 1 2 1 1 50 HIS HA . 52 . HA 1 1 547 1 1 1 1 48 LEU HG . 50 . HG 1 1 547 1 2 1 1 51 PHE H . 53 . HN 1 1 548 1 1 1 1 49 SER H . 51 . HN 1 1 548 1 2 1 1 50 HIS H . 52 . 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 . . . . . 2.0 1.8 3.5 1 1 2 1 . . . . . 2.0 1.8 6.4 1 1 3 1 . . . . . 2.0 1.8 3.5 1 1 4 1 . . . . . 4.0 1.8 6.4 1 1 5 1 . . . . . 2.0 1.8 7.9 1 1 6 1 . . . . . 5.0 1.8 7.4 1 1 7 1 . . . . . 3.5 1.8 8.3 1 1 8 1 . . . . . 3.5 1.8 8.3 1 1 9 1 . . . . . 3.5 1.8 5.9 1 1 10 1 . . . . . 3.5 1.8 5.9 1 1 11 1 . . . . . 2.5 1.8 3.5 1 1 12 1 . . . . . 5.0 1.8 5.0 1 1 13 1 . . . . . 5.0 1.8 6.0 1 1 14 1 . . . . . 4.0 1.8 4.0 1 1 15 1 . . . . . 3.0 1.8 5.4 1 1 16 1 . . . . . 3.0 1.8 5.4 1 1 17 1 . . . . . 2.5 1.8 2.5 1 1 18 1 . . . . . 4.0 1.8 4.0 1 1 19 1 . . . . . 5.0 1.8 7.4 1 1 20 1 . . . . . 4.0 1.8 6.4 1 1 21 1 . . . . . 5.0 1.8 5.0 1 1 22 1 . . . . . 3.0 1.8 3.0 1 1 23 1 . . . . . 3.0 1.8 3.0 1 1 24 1 . . . . . 4.5 1.8 4.5 1 1 25 1 . . . . . 5.0 1.8 5.0 1 1 26 1 . . . . . 2.8 1.8 3.8 1 1 27 1 . . . . . 3.5 1.8 3.5 1 1 28 1 . . . . . 3.5 1.8 3.5 1 1 29 1 . . . . . 5.0 1.8 5.0 1 1 30 1 . . . . . 5.0 1.8 5.0 1 1 31 1 . . . . . 4.0 1.8 4.0 1 1 32 1 . . . . . 3.5 1.8 3.5 1 1 33 1 . . . . . 4.0 1.8 5.0 1 1 34 1 . . . . . 5.0 1.8 6.0 1 1 35 1 . . . . . 4.0 3.8 5.0 1 1 36 1 . . . . . 3.5 1.8 4.5 1 1 37 1 . . . . . 5.0 1.8 5.0 1 1 38 1 . . . . . 3.5 1.8 4.5 1 1 39 1 . . . . . 3.5 1.8 4.5 1 1 40 1 . . . . . 3.5 1.8 3.5 1 1 41 1 . . . . . 4.3 1.8 4.3 1 1 42 1 . . . . . 3.5 1.8 3.5 1 1 43 1 . . . . . 5.0 1.8 6.0 1 1 44 1 . . . . . 5.0 1.8 6.0 1 1 45 1 . . . . . 2.8 1.8 3.8 1 1 46 1 . . . . . 5.0 1.8 7.4 1 1 47 1 . . . . . 3.5 1.8 3.5 1 1 48 1 . . . . . 3.5 1.8 3.5 1 1 49 1 . . . . . 3.5 1.8 3.5 1 1 50 1 . . . . . 4.0 1.8 7.4 1 1 51 1 . . . . . 3.0 1.8 6.4 1 1 52 1 . . . . . 2.8 1.8 2.8 1 1 53 1 . . . . . 2.8 1.8 2.8 1 1 54 1 . . . . . 4.0 1.8 5.0 1 1 55 1 . . . . . 4.0 1.8 5.0 1 1 56 1 . . . . . 5.0 1.8 5.0 1 1 57 1 . . . . . 5.0 1.8 5.0 1 1 58 1 . . . . . 4.0 1.8 4.0 1 1 59 1 . . . . . 3.5 1.8 3.5 1 1 60 1 . . . . . 3.0 1.8 3.0 1 1 61 1 . . . . . 5.0 1.8 7.4 1 1 62 1 . . . . . 5.0 1.8 5.0 1 1 63 1 . . . . . 4.5 1.8 4.5 1 1 64 1 . . . . . 4.0 1.8 5.0 1 1 65 1 . . . . . 4.0 1.8 5.0 1 1 66 1 . . . . . 5.0 1.8 6.0 1 1 67 1 . . . . . 5.0 1.8 6.0 1 1 68 1 . . . . . 5.0 1.8 6.0 1 1 69 1 . . . . . 5.0 1.8 6.0 1 1 70 1 . . . . . 5.0 1.8 5.0 1 1 71 1 . . . . . 4.0 1.8 4.0 1 1 72 1 . . . . . 5.0 1.8 5.0 1 1 73 1 . . . . . . 1.8 3.5 1 1 74 1 . . . . . . 1.8 4.0 1 1 75 1 . . . . . 5.0 1.8 5.0 1 1 76 1 . . . . . 2.8 1.8 2.8 1 1 77 1 . . . . . 4.0 1.8 6.4 1 1 78 1 . . . . . 3.5 1.8 4.5 1 1 79 1 . . . . . 4.0 1.8 7.4 1 1 80 1 . . . . . 4.0 1.8 7.4 1 1 81 1 . . . . . 3.0 1.8 6.4 1 1 82 1 . . . . . 3.0 1.8 6.4 1 1 83 1 . . . . . 3.5 1.8 4.5 1 1 84 1 . . . . . 2.8 1.8 3.8 1 1 85 1 . . . . . 5.0 1.8 6.0 1 1 86 1 . . . . . 5.0 1.8 5.0 1 1 87 1 . . . . . 5.0 1.8 5.0 1 1 88 1 . . . . . 3.5 1.8 5.5 1 1 89 1 . . . . . 3.5 1.8 4.5 1 1 90 1 . . . . . 3.5 1.8 3.5 1 1 91 1 . . . . . 5.0 1.8 6.0 1 1 92 1 . . . . . 3.5 1.8 4.5 1 1 93 1 . . . . . 3.5 1.8 4.5 1 1 94 1 . . . . . 2.8 1.8 2.8 1 1 95 1 . . . . . 4.0 1.8 5.0 1 1 96 1 . . . . . 5.5 1.8 6.5 1 1 97 1 . . . . . 2.8 1.8 3.8 1 1 98 1 . . . . . 2.8 1.8 2.8 1 1 99 1 . . . . . 5.5 1.8 6.5 1 1 100 1 . . . . . 3.5 1.8 4.5 1 1 101 1 . . . . . 6.0 1.8 7.0 1 1 102 1 . . . . . 4.0 1.8 6.0 1 1 103 1 . . . . . 5.0 1.8 6.0 1 1 104 1 . . . . . 3.5 1.8 5.5 1 1 105 1 . . . . . 3.3 1.8 4.3 1 1 106 1 . . . . . 5.0 1.8 6.0 1 1 107 1 . . . . . 4.0 1.8 4.0 1 1 108 1 . . . . . 4.0 1.8 5.0 1 1 109 1 . . . . . 4.0 1.8 5.0 1 1 110 1 . . . . . 5.5 1.8 6.5 1 1 111 1 . . . . . 4.0 1.8 6.0 1 1 112 1 . . . . . 3.5 1.8 4.5 1 1 113 1 . . . . . 3.5 1.8 3.5 1 1 114 1 . . . . . 3.5 1.8 3.5 1 1 115 1 . . . . . 5.0 1.8 6.0 1 1 116 1 . . . . . 2.8 1.8 3.8 1 1 117 1 . . . . . 5.0 1.8 5.0 1 1 118 1 . . . . . 4.0 1.8 5.0 1 1 119 1 . . . . . 2.5 1.8 2.5 1 1 120 1 . . . . . 3.5 1.8 4.5 1 1 121 1 . . . . . 5.0 1.8 6.0 1 1 122 1 . . . . . 5.0 1.8 6.0 1 1 123 1 . . . . . 3.5 1.8 3.5 1 1 124 1 . . . . . 3.5 1.8 3.5 1 1 125 1 . . . . . 5.0 1.8 6.0 1 1 126 1 . . . . . 2.8 1.8 5.2 1 1 127 1 . . . . . 2.8 1.8 2.8 1 1 128 1 . . . . . 2.8 1.8 5.2 1 1 129 1 . . . . . 2.8 1.8 5.2 1 1 130 1 . . . . . 4.0 1.8 4.0 1 1 131 1 . . . . . 4.5 1.8 4.5 1 1 132 1 . . . . . 5.0 1.8 7.4 1 1 133 1 . . . . . 5.0 1.8 8.4 1 1 134 1 . . . . . 5.0 1.8 8.4 1 1 135 1 . . . . . 5.0 1.8 8.4 1 1 136 1 . . . . . 3.5 1.8 6.9 1 1 137 1 . . . . . 5.0 2.8 7.4 1 1 138 1 . . . . . 5.0 1.8 8.4 1 1 139 1 . . . . . 5.0 1.8 8.4 1 1 140 1 . . . . . 3.5 1.8 6.9 1 1 141 1 . . . . . 5.0 1.8 8.4 1 1 142 1 . . . . . 3.5 1.8 4.5 1 1 143 1 . . . . . 5.0 1.8 5.0 1 1 144 1 . . . . . 2.8 1.8 2.8 1 1 145 1 . . . . . 4.0 1.8 4.0 1 1 146 1 . . . . . 5.5 1.8 6.5 1 1 147 1 . . . . . 5.0 1.8 6.0 1 1 148 1 . . . . . 3.5 1.8 5.5 1 1 149 1 . . . . . 2.8 1.8 3.8 1 1 150 1 . . . . . 3.5 1.8 3.5 1 1 151 1 . . . . . 4.0 1.8 6.4 1 1 152 1 . . . . . 4.0 1.8 6.4 1 1 153 1 . . . . . 5.0 1.8 5.0 1 1 154 1 . . . . . 5.0 1.8 5.0 1 1 155 1 . . . . . 2.5 1.8 2.5 1 1 156 1 . . . . . 5.0 1.8 7.4 1 1 157 1 . . . . . 3.5 1.8 3.5 1 1 158 1 . . . . . 3.5 1.8 4.5 1 1 159 1 . . . . . 5.0 1.8 6.0 1 1 160 1 . . . . . 5.0 1.8 6.0 1 1 161 1 . . . . . 5.0 1.8 6.0 1 1 162 1 . . . . . 3.5 1.8 6.9 1 1 163 1 . . . . . 3.5 1.8 6.9 1 1 164 1 . . . . . 5.0 1.8 6.0 1 1 165 1 . . . . . 5.0 1.8 6.0 1 1 166 1 . . . . . 5.5 1.8 7.9 1 1 167 1 . . . . . 5.5 1.8 7.9 1 1 168 1 . . . . . 5.0 1.8 7.4 1 1 169 1 . . . . . 3.5 1.8 5.9 1 1 170 1 . . . . . 5.0 1.8 7.4 1 1 171 1 . . . . . 4.0 1.8 6.4 1 1 172 1 . . . . . 4.0 1.8 6.4 1 1 173 1 . . . . . 3.0 1.8 6.4 1 1 174 1 . . . . . 5.5 1.8 7.9 1 1 175 1 . . . . . 3.5 1.8 8.3 1 1 176 1 . . . . . 3.5 1.8 8.3 1 1 177 1 . . . . . 3.5 1.8 8.3 1 1 178 1 . . . . . 3.5 1.8 8.3 1 1 179 1 . . . . . 5.0 1.8 7.4 1 1 180 1 . . . . . 3.0 1.8 5.4 1 1 181 1 . . . . . 5.0 1.8 7.4 1 1 182 1 . . . . . 5.0 1.8 7.4 1 1 183 1 . . . . . 4.5 1.8 6.9 1 1 184 1 . . . . . 2.8 1.8 3.8 1 1 185 1 . . . . . 5.0 1.8 5.0 1 1 186 1 . . . . . 5.0 1.8 7.4 1 1 187 1 . . . . . 2.5 1.8 2.5 1 1 188 1 . . . . . 5.0 1.8 5.0 1 1 189 1 . . . . . 5.0 1.8 5.0 1 1 190 1 . . . . . 5.0 1.8 7.4 1 1 191 1 . . . . . 4.0 1.8 4.0 1 1 192 1 . . . . . 5.0 1.8 6.0 1 1 193 1 . . . . . 3.5 1.8 4.5 1 1 194 1 . . . . . 3.5 1.8 4.5 1 1 195 1 . . . . . 4.0 1.8 5.0 1 1 196 1 . . . . . 3.5 1.8 4.5 1 1 197 1 . . . . . 3.5 1.8 3.5 1 1 198 1 . . . . . 5.0 1.8 5.0 1 1 199 1 . . . . . 4.0 1.8 4.0 1 1 200 1 . . . . . 3.5 1.8 4.5 1 1 201 1 . . . . . 3.0 1.8 4.0 1 1 202 1 . . . . . 3.0 1.8 6.4 1 1 203 1 . . . . . 5.0 1.8 7.0 1 1 204 1 . . . . . 4.5 1.8 7.9 1 1 205 1 . . . . . 3.5 1.8 4.5 1 1 206 1 . . . . . 2.8 1.8 2.8 1 1 207 1 . . . . . 5.0 1.8 6.0 1 1 208 1 . . . . . 5.0 1.8 5.0 1 1 209 1 . . . . . 3.5 1.8 3.5 1 1 210 1 . . . . . 5.0 1.8 5.0 1 1 211 1 . . . . . 5.0 1.8 7.4 1 1 212 1 . . . . . 5.0 1.8 7.4 1 1 213 1 . . . . . 3.5 1.8 3.5 1 1 214 1 . . . . . 3.5 1.8 3.5 1 1 215 1 . . . . . 5.5 1.8 6.7 1 1 216 1 . . . . . 5.0 1.8 6.0 1 1 217 1 . . . . . 4.0 1.8 4.0 1 1 218 1 . . . . . 3.5 1.8 3.5 1 1 219 1 . . . . . 3.0 1.8 4.0 1 1 220 1 . . . . . 4.0 1.8 5.0 1 1 221 1 . . . . . 2.8 1.8 2.8 1 1 222 1 . . . . . 4.0 1.8 4.0 1 1 223 1 . . . . . 2.8 1.8 2.8 1 1 224 1 . . . . . 5.0 1.8 5.0 1 1 225 1 . . . . . 4.0 1.8 6.4 1 1 226 1 . . . . . 4.5 1.8 4.5 1 1 227 1 . . . . . 4.5 1.8 4.5 1 1 228 1 . . . . . 5.0 1.8 5.0 1 1 229 1 . . . . . 5.0 1.8 5.0 1 1 230 1 . . . . . 5.0 1.8 5.0 1 1 231 1 . . . . . 2.5 0.8 2.5 1 1 232 1 . . . . . 4.0 1.8 4.0 1 1 233 1 . . . . . 4.0 1.8 4.0 1 1 234 1 . . . . . 2.8 1.8 2.8 1 1 235 1 . . . . . 5.0 1.8 6.0 1 1 236 1 . . . . . 3.5 1.8 4.5 1 1 237 1 . . . . . 3.5 1.8 4.5 1 1 238 1 . . . . . 5.0 1.8 6.0 1 1 239 1 . . . . . 2.5 1.8 2.5 1 1 240 1 . . . . . 4.0 1.8 5.0 1 1 241 1 . . . . . 5.0 1.8 6.0 1 1 242 1 . . . . . 3.5 1.8 4.5 1 1 243 1 . . . . . 3.5 1.8 3.5 1 1 244 1 . . . . . 4.0 1.8 5.0 1 1 245 1 . . . . . 5.0 1.8 5.0 1 1 246 1 . . . . . 5.0 1.8 6.0 1 1 247 1 . . . . . 5.0 1.8 5.0 1 1 248 1 . . . . . 4.0 1.8 5.0 1 1 249 1 . . . . . 4.0 1.8 5.0 1 1 250 1 . . . . . 5.5 1.8 6.5 1 1 251 1 . . . . . 5.5 1.8 6.5 1 1 252 1 . . . . . 3.5 1.8 3.5 1 1 253 1 . . . . . 3.5 1.8 3.5 1 1 254 1 . . . . . 4.0 1.8 6.4 1 1 255 1 . . . . . 5.0 1.8 5.0 1 1 256 1 . . . . . 2.8 1.8 2.8 1 1 257 1 . . . . . 4.0 1.8 4.0 1 1 258 1 . . . . . 3.0 1.8 5.4 1 1 259 1 . . . . . 3.0 1.8 5.4 1 1 260 1 . . . . . 5.0 1.8 5.0 1 1 261 1 . . . . . 5.0 1.8 5.0 1 1 262 1 . . . . . 5.0 1.8 7.4 1 1 263 1 . . . . . 4.0 1.8 6.4 1 1 264 1 . . . . . 4.0 1.8 8.8 1 1 265 1 . . . . . 5.5 1.8 8.9 1 1 266 1 . . . . . 3.5 1.8 3.5 1 1 267 1 . . . . . 4.0 1.8 4.0 1 1 268 1 . . . . . 3.5 1.8 3.5 1 1 269 1 . . . . . 3.5 1.8 4.5 1 1 270 1 . . . . . 4.0 1.8 4.0 1 1 271 1 . . . . . 5.0 1.8 5.0 1 1 272 1 . . . . . 2.8 1.8 2.8 1 1 273 1 . . . . . 3.5 1.8 3.5 1 1 274 1 . . . . . 5.0 1.8 6.0 1 1 275 1 . . . . . 2.8 1.8 2.8 1 1 276 1 . . . . . 5.0 1.8 5.0 1 1 277 1 . . . . . 5.0 1.8 5.0 1 1 278 1 . . . . . 5.0 1.8 5.0 1 1 279 1 . . . . . 5.0 1.8 5.0 1 1 280 1 . . . . . 4.0 1.8 4.0 1 1 281 1 . . . . . 3.5 1.8 3.5 1 1 282 1 . . . . . 3.5 1.8 5.9 1 1 283 1 . . . . . 4.0 1.8 4.0 1 1 284 1 . . . . . 2.5 1.8 2.5 1 1 285 1 . . . . . 2.8 1.8 2.8 1 1 286 1 . . . . . 2.5 1.8 2.5 1 1 287 1 . . . . . 2.8 1.8 2.8 1 1 288 1 . . . . . 4.0 1.8 4.0 1 1 289 1 . . . . . 3.0 1.8 3.0 1 1 290 1 . . . . . 3.0 1.8 3.0 1 1 291 1 . . . . . 3.5 1.8 4.5 1 1 292 1 . . . . . 4.0 1.8 4.0 1 1 293 1 . . . . . 5.0 1.8 6.0 1 1 294 1 . . . . . 2.8 1.8 2.8 1 1 295 1 . . . . . 2.8 1.8 2.8 1 1 296 1 . . . . . 4.0 1.8 6.4 1 1 297 1 . . . . . 2.5 1.8 2.5 1 1 298 1 . . . . . 5.0 1.8 5.0 1 1 299 1 . . . . . 2.8 1.8 5.2 1 1 300 1 . . . . . 4.0 1.8 4.0 1 1 301 1 . . . . . 5.0 1.8 5.0 1 1 302 1 . . . . . 5.0 1.8 5.0 1 1 303 1 . . . . . 4.0 1.8 5.0 1 1 304 1 . . . . . 4.3 1.8 4.3 1 1 305 1 . . . . . 5.0 1.8 7.4 1 1 306 1 . . . . . 2.8 1.8 5.2 1 1 307 1 . . . . . 2.8 1.8 5.2 1 1 308 1 . . . . . 2.8 1.8 2.8 1 1 309 1 . . . . . 4.0 1.8 4.0 1 1 310 1 . . . . . 5.0 1.8 5.0 1 1 311 1 . . . . . 3.5 1.8 5.9 1 1 312 1 . . . . . 3.5 1.8 5.9 1 1 313 1 . . . . . 5.0 1.8 7.4 1 1 314 1 . . . . . 5.5 1.8 8.9 1 1 315 1 . . . . . 5.0 1.8 7.4 1 1 316 1 . . . . . 5.0 1.8 7.4 1 1 317 1 . . . . . 5.0 1.8 7.4 1 1 318 1 . . . . . 3.0 1.8 5.4 1 1 319 1 . . . . . 3.5 1.8 5.9 1 1 320 1 . . . . . 3.5 1.8 5.9 1 1 321 1 . . . . . 3.5 1.8 6.9 1 1 322 1 . . . . . 3.0 1.8 6.4 1 1 323 1 . . . . . 5.0 1.8 7.4 1 1 324 1 . . . . . 5.0 1.8 8.4 1 1 325 1 . . . . . 5.0 1.8 8.4 1 1 326 1 . . . . . 5.0 1.8 7.4 1 1 327 1 . . . . . . 1.8 2.8 1 1 328 1 . . . . . 2.5 1.8 2.5 1 1 329 1 . . . . . 5.0 1.8 5.0 1 1 330 1 . . . . . 5.0 1.8 5.0 1 1 331 1 . . . . . 5.0 2.8 7.4 1 1 332 1 . . . . . 3.5 1.8 3.5 1 1 333 1 . . . . . 5.0 1.8 5.0 1 1 334 1 . . . . . 3.5 1.8 3.5 1 1 335 1 . . . . . 5.0 1.8 5.0 1 1 336 1 . . . . . 4.0 1.8 6.4 1 1 337 1 . . . . . 4.0 1.8 6.4 1 1 338 1 . . . . . . 1.8 3.0 1 1 339 1 . . . . . 4.0 1.8 4.0 1 1 340 1 . . . . . 2.8 1.8 2.8 1 1 341 1 . . . . . 2.5 1.8 2.5 1 1 342 1 . . . . . 3.5 1.8 3.5 1 1 343 1 . . . . . 2.8 1.8 2.8 1 1 344 1 . . . . . 5.0 1.8 5.0 1 1 345 1 . . . . . 3.5 1.8 3.5 1 1 346 1 . . . . . 3.0 1.8 3.0 1 1 347 1 . . . . . 3.3 1.8 4.3 1 1 348 1 . . . . . 2.5 1.8 2.5 1 1 349 1 . . . . . 5.0 1.8 7.4 1 1 350 1 . . . . . 3.5 1.8 3.5 1 1 351 1 . . . . . 5.0 1.8 5.0 1 1 352 1 . . . . . 3.5 1.8 3.5 1 1 353 1 . . . . . 3.5 1.8 4.5 1 1 354 1 . . . . . 3.3 1.8 4.3 1 1 355 1 . . . . . 4.5 1.8 5.5 1 1 356 1 . . . . . 5.5 1.8 6.5 1 1 357 1 . . . . . 5.0 1.8 8.4 1 1 358 1 . . . . . 5.0 1.8 7.4 1 1 359 1 . . . . . 2.8 1.8 2.8 1 1 360 1 . . . . . 4.0 1.8 6.4 1 1 361 1 . . . . . 2.5 1.8 2.5 1 1 362 1 . . . . . 5.0 1.8 5.0 1 1 363 1 . . . . . 4.0 1.8 6.4 1 1 364 1 . . . . . 5.0 1.8 6.0 1 1 365 1 . . . . . 5.0 1.8 6.0 1 1 366 1 . . . . . 3.0 1.8 5.4 1 1 367 1 . . . . . 3.5 1.8 3.5 1 1 368 1 . . . . . 4.0 1.8 4.0 1 1 369 1 . . . . . 4.0 1.8 4.0 1 1 370 1 . . . . . 5.0 1.8 7.4 1 1 371 1 . . . . . 2.8 1.8 2.8 1 1 372 1 . . . . . 4.0 1.8 6.4 1 1 373 1 . . . . . 5.0 1.8 7.4 1 1 374 1 . . . . . 5.0 1.8 7.4 1 1 375 1 . . . . . 5.0 1.8 7.4 1 1 376 1 . . . . . 4.0 1.8 7.4 1 1 377 1 . . . . . 5.0 1.8 7.4 1 1 378 1 . . . . . 5.0 1.8 7.4 1 1 379 1 . . . . . 5.0 1.8 7.4 1 1 380 1 . . . . . 4.0 1.8 7.4 1 1 381 1 . . . . . 4.0 1.8 7.4 1 1 382 1 . . . . . 4.0 1.8 6.4 1 1 383 1 . . . . . 5.0 1.8 9.8 1 1 384 1 . . . . . 2.8 1.8 2.8 1 1 385 1 . . . . . 2.5 1.8 2.5 1 1 386 1 . . . . . 5.0 1.8 6.0 1 1 387 1 . . . . . 5.0 1.8 5.0 1 1 388 1 . . . . . 4.0 1.8 4.0 1 1 389 1 . . . . . 5.0 1.8 5.0 1 1 390 1 . . . . . 4.0 1.8 4.0 1 1 391 1 . . . . . 5.0 1.8 5.0 1 1 392 1 . . . . . 3.0 1.8 4.0 1 1 393 1 . . . . . 4.0 1.8 6.4 1 1 394 1 . . . . . 4.0 1.8 6.4 1 1 395 1 . . . . . 4.5 1.8 7.9 1 1 396 1 . . . . . 2.8 1.8 3.8 1 1 397 1 . . . . . 3.5 1.8 4.5 1 1 398 1 . . . . . 2.5 1.8 2.5 1 1 399 1 . . . . . 5.0 1.8 5.0 1 1 400 1 . . . . . 5.0 1.8 6.0 1 1 401 1 . . . . . 5.0 1.8 6.0 1 1 402 1 . . . . . 2.8 1.8 3.8 1 1 403 1 . . . . . 3.5 1.8 3.5 1 1 404 1 . . . . . 5.0 1.8 5.0 1 1 405 1 . . . . . 4.0 1.8 5.0 1 1 406 1 . . . . . 4.0 1.8 4.0 1 1 407 1 . . . . . 3.5 1.8 3.5 1 1 408 1 . . . . . 3.5 1.8 3.5 1 1 409 1 . . . . . 3.5 1.8 3.5 1 1 410 1 . . . . . 2.8 1.8 2.8 1 1 411 1 . . . . . 5.5 1.8 6.5 1 1 412 1 . . . . . 5.0 1.8 6.0 1 1 413 1 . . . . . 5.0 1.8 6.0 1 1 414 1 . . . . . 3.3 1.8 4.3 1 1 415 1 . . . . . 3.5 1.8 3.5 1 1 416 1 . . . . . 5.0 1.8 6.0 1 1 417 1 . . . . . 3.5 1.8 3.5 1 1 418 1 . . . . . 2.8 1.8 3.8 1 1 419 1 . . . . . 5.0 1.8 7.4 1 1 420 1 . . . . . 5.0 1.8 7.4 1 1 421 1 . . . . . 5.0 1.8 6.0 1 1 422 1 . . . . . 2.8 1.8 2.8 1 1 423 1 . . . . . 5.0 1.8 7.4 1 1 424 1 . . . . . 4.0 1.8 5.0 1 1 425 1 . . . . . 2.5 1.8 2.5 1 1 426 1 . . . . . 2.8 1.8 2.8 1 1 427 1 . . . . . 2.8 1.8 2.8 1 1 428 1 . . . . . 4.5 1.8 6.5 1 1 429 1 . . . . . 2.8 1.8 3.8 1 1 430 1 . . . . . 5.0 1.8 5.0 1 1 431 1 . . . . . 4.5 1.8 6.9 1 1 432 1 . . . . . 4.5 1.8 6.9 1 1 433 1 . . . . . 2.8 1.8 2.8 1 1 434 1 . . . . . 5.0 1.8 5.0 1 1 435 1 . . . . . 4.0 1.8 4.0 1 1 436 1 . . . . . 3.5 1.8 3.5 1 1 437 1 . . . . . 5.0 1.8 5.0 1 1 438 1 . . . . . 3.3 1.8 5.7 1 1 439 1 . . . . . 4.0 1.8 6.4 1 1 440 1 . . . . . 4.0 1.8 6.4 1 1 441 1 . . . . . 5.0 1.8 7.4 1 1 442 1 . . . . . 5.0 1.8 7.4 1 1 443 1 . . . . . 4.0 1.8 6.4 1 1 444 1 . . . . . 4.0 1.8 6.4 1 1 445 1 . . . . . 5.0 1.8 7.4 1 1 446 1 . . . . . 5.0 1.8 7.4 1 1 447 1 . . . . . 5.0 1.8 7.4 1 1 448 1 . . . . . 5.0 1.8 8.4 1 1 449 1 . . . . . 3.5 1.8 4.5 1 1 450 1 . . . . . 2.8 1.8 3.8 1 1 451 1 . . . . . 3.5 1.8 4.5 1 1 452 1 . . . . . 2.5 1.8 2.5 1 1 453 1 . . . . . 3.5 1.8 4.5 1 1 454 1 . . . . . 5.0 1.8 5.0 1 1 455 1 . . . . . 5.0 1.8 6.0 1 1 456 1 . . . . . 2.8 1.8 2.8 1 1 457 1 . . . . . 5.0 1.8 6.0 1 1 458 1 . . . . . 3.5 2.5 3.5 1 1 459 1 . . . . . 2.8 1.8 2.8 1 1 460 1 . . . . . 3.5 1.8 5.9 1 1 461 1 . . . . . 2.5 1.8 2.5 1 1 462 1 . . . . . 5.0 1.8 5.0 1 1 463 1 . . . . . 5.0 1.8 5.0 1 1 464 1 . . . . . 2.5 1.8 3.5 1 1 465 1 . . . . . 3.5 1.8 4.5 1 1 466 1 . . . . . 3.5 1.8 4.5 1 1 467 1 . . . . . 2.8 1.8 2.8 1 1 468 1 . . . . . 3.5 1.8 4.5 1 1 469 1 . . . . . 5.0 1.8 6.0 1 1 470 1 . . . . . 5.0 1.8 7.0 1 1 471 1 . . . . . 3.5 1.8 4.5 1 1 472 1 . . . . . 3.5 1.8 3.5 1 1 473 1 . . . . . 5.0 1.8 6.0 1 1 474 1 . . . . . 5.0 1.8 5.0 1 1 475 1 . . . . . 3.5 1.8 4.5 1 1 476 1 . . . . . 5.0 1.8 6.0 1 1 477 1 . . . . . 5.0 1.8 5.0 1 1 478 1 . . . . . 3.5 1.8 3.5 1 1 479 1 . . . . . 4.5 1.8 5.5 1 1 480 1 . . . . . 5.5 1.8 5.5 1 1 481 1 . . . . . 5.0 1.8 5.0 1 1 482 1 . . . . . 5.0 1.8 6.0 1 1 483 1 . . . . . 5.0 1.8 6.0 1 1 484 1 . . . . . 5.0 1.8 5.0 1 1 485 1 . . . . . 5.0 1.8 8.4 1 1 486 1 . . . . . 5.0 1.8 7.4 1 1 487 1 . . . . . 2.8 1.8 2.8 1 1 488 1 . . . . . 4.3 1.8 6.7 1 1 489 1 . . . . . 4.0 1.8 7.4 1 1 490 1 . . . . . 5.0 1.8 7.4 1 1 491 1 . . . . . 5.0 1.8 6.0 1 1 492 1 . . . . . 3.5 1.8 4.5 1 1 493 1 . . . . . 5.0 1.8 8.0 1 1 494 1 . . . . . 3.5 1.8 6.9 1 1 495 1 . . . . . 4.3 1.8 7.7 1 1 496 1 . . . . . 5.0 1.8 6.0 1 1 497 1 . . . . . 3.5 1.8 5.5 1 1 498 1 . . . . . 3.5 1.8 4.5 1 1 499 1 . . . . . 3.5 1.8 4.5 1 1 500 1 . . . . . 5.0 1.8 5.0 1 1 501 1 . . . . . 5.0 1.8 6.0 1 1 502 1 . . . . . 5.0 1.8 6.0 1 1 503 1 . . . . . 2.8 1.8 2.8 1 1 504 1 . . . . . 5.0 1.8 7.0 1 1 505 1 . . . . . 4.3 1.8 5.3 1 1 506 1 . . . . . 5.0 1.8 7.0 1 1 507 1 . . . . . 5.0 1.8 5.0 1 1 508 1 . . . . . 5.0 1.8 5.0 1 1 509 1 . . . . . 5.0 1.8 8.4 1 1 510 1 . . . . . 5.0 1.8 7.4 1 1 511 1 . . . . . 5.0 1.8 5.0 1 1 512 1 . . . . . 5.0 1.8 5.0 1 1 513 1 . . . . . 5.0 1.8 6.0 1 1 514 1 . . . . . 5.0 1.8 5.0 1 1 515 1 . . . . . 5.0 1.8 5.0 1 1 516 1 . . . . . 5.0 1.8 6.0 1 1 517 1 . . . . . 2.5 1.8 2.5 1 1 518 1 . . . . . 5.0 1.8 6.0 1 1 519 1 . . . . . 4.3 1.8 4.3 1 1 520 1 . . . . . 5.0 1.8 5.0 1 1 521 1 . . . . . 5.0 1.8 5.0 1 1 522 1 . . . . . 5.0 1.8 5.0 1 1 523 1 . . . . . 5.0 1.8 5.0 1 1 524 1 . . . . . 5.0 1.8 5.0 1 1 525 1 . . . . . 5.0 1.8 7.4 1 1 526 1 . . . . . 5.0 1.8 5.0 1 1 527 1 . . . . . 5.5 1.8 6.5 1 1 528 1 . . . . . 5.0 1.8 5.0 1 1 529 1 . . . . . 4.0 1.8 6.4 1 1 530 1 . . . . . 5.0 1.8 7.4 1 1 531 1 . . . . . 4.3 1.8 7.7 1 1 532 1 . . . . . 5.0 1.8 5.0 1 1 533 1 . . . . . 5.0 1.8 7.4 1 1 534 1 . . . . . 4.3 1.8 6.7 1 1 535 1 . . . . . 5.0 1.8 7.4 1 1 536 1 . . . . . 4.3 1.8 7.7 1 1 537 1 . . . . . 5.0 1.8 8.4 1 1 538 1 . . . . . 4.3 1.8 6.3 1 1 539 1 . . . . . 5.0 1.8 7.4 1 1 540 1 . . . . . 4.0 1.8 6.4 1 1 541 1 . . . . . 5.0 1.8 7.4 1 1 542 1 . . . . . 5.0 1.8 5.0 1 1 543 1 . . . . . 5.0 1.8 6.0 1 1 544 1 . . . . . 3.5 1.8 4.5 1 1 545 1 . . . . . 5.0 1.8 6.0 1 1 546 1 . . . . . 5.0 1.8 6.0 1 1 547 1 . . . . . 5.0 1.8 5.0 1 1 548 1 . . . . . 3.5 1.8 3.5 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 17 1 . . . 1 2 18 1 . . . 1 2 19 1 . . . 1 2 20 1 . . . 1 2 21 1 . . . 1 2 22 1 . . . 1 2 23 1 . . . 1 2 24 1 . . . 1 2 25 1 . . . 1 2 26 1 . . . 1 2 27 1 . . . 1 2 28 1 . . . 1 2 29 1 . . . 1 2 30 1 . . . 1 2 31 1 . . . 1 2 32 1 . . . 1 2 33 1 . . . 1 2 34 1 . . . 1 2 35 1 . . . 1 2 36 1 . . . 1 2 37 1 . . . 1 2 38 1 . . . 1 2 39 1 . . . 1 2 40 1 . . . 1 2 41 1 . . . 1 2 42 1 . . . 1 2 43 1 . . . 1 2 44 1 . . . 1 2 45 1 . . . 1 2 46 1 . . . 1 2 47 1 . . . 1 2 48 1 . . . 1 2 49 1 . . . 1 2 50 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 19 ARG N . 21 . N 1 2 1 1 2 1 1 30 GLY O . 32 . O 1 2 2 1 1 1 1 19 ARG H . 21 . HN 1 2 2 1 2 1 1 30 GLY O . 32 . O 1 2 3 1 1 1 1 22 CYS N . 24 . N 1 2 3 1 2 1 1 50 HIS O . 52 . O 1 2 4 1 1 1 1 22 CYS H . 24 . HN 1 2 4 1 2 1 1 50 HIS O . 52 . O 1 2 5 1 1 1 1 21 LEU N . 23 . N 1 2 5 1 2 1 1 29 TYR O . 31 . O 1 2 6 1 1 1 1 21 LEU H . 23 . HN 1 2 6 1 2 1 1 29 TYR O . 31 . O 1 2 7 1 1 1 1 23 GLY N . 25 . N 1 2 7 1 2 1 1 27 LYS O . 29 . O 1 2 8 1 1 1 1 23 GLY H . 25 . HN 1 2 8 1 2 1 1 27 LYS O . 29 . O 1 2 9 1 1 1 1 24 SER N . 26 . N 1 2 9 1 2 1 1 47 THR O . 49 . O 1 2 10 1 1 1 1 24 SER H . 26 . HN 1 2 10 1 2 1 1 47 THR O . 49 . O 1 2 11 1 1 1 1 23 GLY O . 25 . O 1 2 11 1 2 1 1 25 ASP N . 27 . N 1 2 12 1 1 1 1 23 GLY O . 25 . O 1 2 12 1 2 1 1 25 ASP H . 27 . HN 1 2 13 1 1 1 1 23 GLY O . 25 . O 1 2 13 1 2 1 1 26 ASN N . 28 . N 1 2 14 1 1 1 1 23 GLY O . 25 . O 1 2 14 1 2 1 1 26 ASN H . 28 . HN 1 2 15 1 1 1 1 23 GLY O . 25 . O 1 2 15 1 2 1 1 27 LYS N . 29 . N 1 2 16 1 1 1 1 23 GLY O . 25 . O 1 2 16 1 2 1 1 27 LYS H . 29 . HN 1 2 17 1 1 1 1 21 LEU O . 23 . O 1 2 17 1 2 1 1 29 TYR N . 31 . N 1 2 18 1 1 1 1 21 LEU O . 23 . O 1 2 18 1 2 1 1 29 TYR H . 31 . HN 1 2 19 1 1 1 1 31 ASN OD1 . 33 . OD1 1 2 19 1 2 1 1 33 CYS N . 35 . N 1 2 20 1 1 1 1 31 ASN OD1 . 33 . OD1 1 2 20 1 2 1 1 33 CYS H . 35 . HN 1 2 21 1 1 1 1 31 ASN OD1 . 33 . OD1 1 2 21 1 2 1 1 34 ASN N . 36 . N 1 2 22 1 1 1 1 31 ASN OD1 . 33 . OD1 1 2 22 1 2 1 1 34 ASN H . 36 . HN 1 2 23 1 1 1 1 31 ASN O . 33 . O 1 2 23 1 2 1 1 35 PHE N . 37 . N 1 2 24 1 1 1 1 31 ASN O . 33 . O 1 2 24 1 2 1 1 35 PHE H . 37 . HN 1 2 25 1 1 1 1 32 LYS O . 34 . O 1 2 25 1 2 1 1 36 CYS N . 38 . N 1 2 26 1 1 1 1 32 LYS O . 34 . O 1 2 26 1 2 1 1 36 CYS H . 38 . HN 1 2 27 1 1 1 1 33 CYS O . 35 . O 1 2 27 1 2 1 1 37 ASN N . 39 . N 1 2 28 1 1 1 1 33 CYS O . 35 . O 1 2 28 1 2 1 1 37 ASN H . 39 . HN 1 2 29 1 1 1 1 34 ASN O . 36 . O 1 2 29 1 2 1 1 38 ALA N . 40 . N 1 2 30 1 1 1 1 34 ASN O . 36 . O 1 2 30 1 2 1 1 38 ALA H . 40 . HN 1 2 31 1 1 1 1 35 PHE O . 37 . O 1 2 31 1 2 1 1 39 VAL N . 41 . N 1 2 32 1 1 1 1 35 PHE O . 37 . O 1 2 32 1 2 1 1 39 VAL H . 41 . HN 1 2 33 1 1 1 1 36 CYS O . 38 . O 1 2 33 1 2 1 1 40 VAL N . 42 . N 1 2 34 1 1 1 1 36 CYS O . 38 . O 1 2 34 1 2 1 1 40 VAL H . 42 . HN 1 2 35 1 1 1 1 37 ASN O . 39 . O 1 2 35 1 2 1 1 41 GLU N . 43 . N 1 2 36 1 1 1 1 37 ASN O . 39 . O 1 2 36 1 2 1 1 41 GLU H . 43 . HN 1 2 37 1 1 1 1 38 ALA O . 40 . O 1 2 37 1 2 1 1 42 SER N . 44 . N 1 2 38 1 1 1 1 38 ALA O . 40 . O 1 2 38 1 2 1 1 42 SER H . 44 . HN 1 2 39 1 1 1 1 39 VAL O . 41 . O 1 2 39 1 2 1 1 44 GLY N . 46 . N 1 2 40 1 1 1 1 39 VAL O . 41 . O 1 2 40 1 2 1 1 44 GLY H . 46 . HN 1 2 41 1 1 1 1 42 SER O . 44 . O 1 2 41 1 2 1 1 45 THR N . 47 . N 1 2 42 1 1 1 1 42 SER O . 44 . O 1 2 42 1 2 1 1 45 THR H . 47 . HN 1 2 43 1 1 1 1 22 CYS O . 24 . O 1 2 43 1 2 1 1 49 SER N . 51 . N 1 2 44 1 1 1 1 22 CYS O . 24 . O 1 2 44 1 2 1 1 49 SER H . 51 . HN 1 2 45 1 1 1 1 22 CYS O . 24 . O 1 2 45 1 2 1 1 50 HIS N . 52 . N 1 2 46 1 1 1 1 22 CYS O . 24 . O 1 2 46 1 2 1 1 50 HIS H . 52 . HN 1 2 47 1 1 1 1 20 PRO O . 22 . O 1 2 47 1 2 1 1 52 GLY N . 54 . N 1 2 48 1 1 1 1 20 PRO O . 22 . O 1 2 48 1 2 1 1 52 GLY H . 54 . HN 1 2 49 1 1 1 1 28 THR OG1 . 30 . OG1 1 2 49 1 2 1 1 54 CYS N . 56 . N 1 2 50 1 1 1 1 28 THR OG1 . 30 . OG1 1 2 50 1 2 1 1 54 CYS H . 56 . HN 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.3 2.5 3.5 1 2 2 1 . . . . . 2.3 1.5 2.5 1 2 3 1 . . . . . 3.3 2.5 3.5 1 2 4 1 . . . . . 2.3 1.5 2.5 1 2 5 1 . . . . . 3.3 2.5 3.5 1 2 6 1 . . . . . 2.3 1.5 2.5 1 2 7 1 . . . . . 3.3 2.5 3.5 1 2 8 1 . . . . . 2.3 1.5 2.5 1 2 9 1 . . . . . 3.3 2.5 3.5 1 2 10 1 . . . . . 2.3 1.5 2.5 1 2 11 1 . . . . . 3.3 2.5 3.5 1 2 12 1 . . . . . 2.3 1.5 2.5 1 2 13 1 . . . . . 3.3 2.5 3.5 1 2 14 1 . . . . . 2.3 1.5 2.5 1 2 15 1 . . . . . 3.3 2.5 3.5 1 2 16 1 . . . . . 2.3 1.5 2.5 1 2 17 1 . . . . . 3.3 2.5 3.5 1 2 18 1 . . . . . 2.3 1.5 2.5 1 2 19 1 . . . . . 3.3 2.5 3.5 1 2 20 1 . . . . . 2.3 1.5 2.5 1 2 21 1 . . . . . 3.3 2.5 3.5 1 2 22 1 . . . . . 2.3 1.5 2.5 1 2 23 1 . . . . . 3.3 2.5 3.5 1 2 24 1 . . . . . 2.3 1.5 2.5 1 2 25 1 . . . . . 3.3 2.5 3.5 1 2 26 1 . . . . . 2.3 1.5 2.5 1 2 27 1 . . . . . 3.3 2.5 3.5 1 2 28 1 . . . . . 2.3 1.5 2.5 1 2 29 1 . . . . . 3.3 2.5 3.5 1 2 30 1 . . . . . 2.3 1.5 2.5 1 2 31 1 . . . . . 3.3 2.5 3.5 1 2 32 1 . . . . . 2.3 1.5 2.5 1 2 33 1 . . . . . 3.3 2.5 3.5 1 2 34 1 . . . . . 2.3 1.5 2.5 1 2 35 1 . . . . . 3.3 2.5 3.5 1 2 36 1 . . . . . 2.3 1.5 2.5 1 2 37 1 . . . . . 3.3 2.5 3.5 1 2 38 1 . . . . . 2.3 1.5 2.5 1 2 39 1 . . . . . 3.3 2.5 3.5 1 2 40 1 . . . . . 2.3 1.5 2.5 1 2 41 1 . . . . . 3.3 2.5 3.5 1 2 42 1 . . . . . 2.3 1.5 2.5 1 2 43 1 . . . . . 3.3 2.5 3.5 1 2 44 1 . . . . . 2.3 1.5 2.5 1 2 45 1 . . . . . 3.3 2.5 3.5 1 2 46 1 . . . . . 2.3 1.5 2.5 1 2 47 1 . . . . . 3.3 2.5 3.5 1 2 48 1 . . . . . 2.3 1.5 2.5 1 2 49 1 . . . . . 3.3 2.5 3.5 1 2 50 1 . . . . . 2.3 1.5 2.5 1 2 stop_ save_ save_CNS/XPLOR_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 1 ALA C 1 1 2 VAL N 1 1 2 VAL CA 1 1 2 VAL C -150.0 -89.99999 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 2 . 1 1 5 ASP N 1 1 5 ASP CA 1 1 5 ASP CB 1 1 5 ASP CG 120.0 240.0 . 7 . N . 7 . CA . 7 . CB . 7 . CG 1 1 3 . 1 1 6 CYS C 1 1 7 SER N 1 1 7 SER CA 1 1 7 SER C -89.99999 -30.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 4 . 1 1 8 GLU C 1 1 9 TYR N 1 1 9 TYR CA 1 1 9 TYR C -150.0 -89.99999 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 5 . 1 1 10 PRO C 1 1 11 LYS N 1 1 11 LYS CA 1 1 11 LYS C -150.0 -89.99999 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 6 . 1 1 13 ALA C 1 1 14 CYS N 1 1 14 CYS CA 1 1 14 CYS C -160.0 -80.0 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1 7 . 1 1 14 CYS C 1 1 15 THR N 1 1 15 THR CA 1 1 15 THR C -170.0 -70.0 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1 8 . 1 1 15 THR N 1 1 15 THR CA 1 1 15 THR CB 1 1 15 THR OG1 0.0 120.0 . 17 . N . 17 . CA . 17 . CB . 17 . OG1 1 1 9 . 1 1 15 THR C 1 1 16 MET N 1 1 16 MET CA 1 1 16 MET C -170.0 -70.0 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1 10 . 1 1 16 MET C 1 1 17 GLU N 1 1 17 GLU CA 1 1 17 GLU C -89.99999 -30.0 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1 11 . 1 1 17 GLU C 1 1 18 TYR N 1 1 18 TYR CA 1 1 18 TYR C -160.0 -80.0 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1 12 . 1 1 18 TYR N 1 1 18 TYR CA 1 1 18 TYR CB 1 1 18 TYR CG 120.0 240.0 . 20 . N . 20 . CA . 20 . CB . 20 . CG 1 1 13 . 1 1 18 TYR C 1 1 19 ARG N 1 1 19 ARG CA 1 1 19 ARG C -160.0 -80.0 . 20 . C . 21 . N . 21 . CA . 21 . C 1 1 14 . 1 1 21 LEU N 1 1 21 LEU CA 1 1 21 LEU CB 1 1 21 LEU CG -120.0 0.0 . 23 . N . 23 . CA . 23 . CB . 23 . CG 1 1 15 . 1 1 21 LEU C 1 1 22 CYS N 1 1 22 CYS CA 1 1 22 CYS C -150.0 -89.99999 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1 16 . 1 1 23 GLY C 1 1 24 SER N 1 1 24 SER CA 1 1 24 SER C -89.99999 -30.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1 17 . 1 1 24 SER N 1 1 24 SER CA 1 1 24 SER C 1 1 25 ASP N -70.0 10.0 . 26 . N . 26 . CA . 26 . C . 27 . N 1 1 18 . 1 1 24 SER C 1 1 25 ASP N 1 1 25 ASP CA 1 1 25 ASP C -160.0 -80.0 . 26 . C . 27 . N . 27 . CA . 27 . C 1 1 19 . 1 1 25 ASP N 1 1 25 ASP CA 1 1 25 ASP C 1 1 26 ASN N -40.0 40.0 . 27 . N . 27 . CA . 27 . C . 28 . N 1 1 20 . 1 1 25 ASP N 1 1 25 ASP CA 1 1 25 ASP CB 1 1 25 ASP CG 0.0 120.0 . 27 . N . 27 . CA . 27 . CB . 27 . CG 1 1 21 . 1 1 25 ASP C 1 1 26 ASN N 1 1 26 ASN CA 1 1 26 ASN C 20.0 100.0 . 27 . C . 28 . N . 28 . CA . 28 . C 1 1 22 . 1 1 26 ASN N 1 1 26 ASN CA 1 1 26 ASN C 1 1 27 LYS N -10.0 70.0 . 28 . N . 28 . CA . 28 . C . 29 . N 1 1 23 . 1 1 26 ASN N 1 1 26 ASN CA 1 1 26 ASN CB 1 1 26 ASN CG 120.0 240.0 . 28 . N . 28 . CA . 28 . CB . 28 . CG 1 1 24 . 1 1 26 ASN C 1 1 27 LYS N 1 1 27 LYS CA 1 1 27 LYS C -160.0 -80.0 . 28 . C . 29 . N . 29 . CA . 29 . C 1 1 25 . 1 1 27 LYS C 1 1 28 THR N 1 1 28 THR CA 1 1 28 THR C -160.0 -80.0 . 29 . C . 30 . N . 30 . CA . 30 . C 1 1 26 . 1 1 28 THR N 1 1 28 THR CA 1 1 28 THR CB 1 1 28 THR OG1 -120.0 0.0 . 30 . N . 30 . CA . 30 . CB . 30 . OG1 1 1 27 . 1 1 28 THR C 1 1 29 TYR N 1 1 29 TYR CA 1 1 29 TYR C -150.0 -89.99999 . 30 . C . 31 . N . 31 . CA . 31 . C 1 1 28 . 1 1 29 TYR N 1 1 29 TYR CA 1 1 29 TYR CB 1 1 29 TYR CG -120.0 0.0 . 31 . N . 31 . CA . 31 . CB . 31 . CG 1 1 29 . 1 1 31 ASN N 1 1 31 ASN CA 1 1 31 ASN CB 1 1 31 ASN CG 0.0 120.0 . 33 . N . 33 . CA . 33 . CB . 33 . CG 1 1 30 . 1 1 31 ASN C 1 1 32 LYS N 1 1 32 LYS CA 1 1 32 LYS C -89.99999 -30.0 . 33 . C . 34 . N . 34 . CA . 34 . C 1 1 31 . 1 1 32 LYS N 1 1 32 LYS CA 1 1 32 LYS C 1 1 33 CYS N -70.0 -10.0 . 34 . N . 34 . CA . 34 . C . 35 . N 1 1 32 . 1 1 32 LYS C 1 1 33 CYS N 1 1 33 CYS CA 1 1 33 CYS C -89.99999 -30.0 . 34 . C . 35 . N . 35 . CA . 35 . C 1 1 33 . 1 1 33 CYS N 1 1 33 CYS CA 1 1 33 CYS C 1 1 34 ASN N -70.0 -10.0 . 35 . N . 35 . CA . 35 . C . 36 . N 1 1 34 . 1 1 33 CYS N 1 1 33 CYS CA 1 1 33 CYS CB 1 1 33 CYS SG 120.0 240.0 . 35 . N . 35 . CA . 35 . CB . 35 . SG 1 1 35 . 1 1 34 ASN C 1 1 35 PHE N 1 1 35 PHE CA 1 1 35 PHE C -89.99999 -30.0 . 36 . C . 37 . N . 37 . CA . 37 . C 1 1 36 . 1 1 35 PHE N 1 1 35 PHE CA 1 1 35 PHE C 1 1 36 CYS N -70.0 -10.0 . 37 . N . 37 . CA . 37 . C . 38 . N 1 1 37 . 1 1 35 PHE N 1 1 35 PHE CA 1 1 35 PHE CB 1 1 35 PHE CG 120.0 240.0 . 37 . N . 37 . CA . 37 . CB . 37 . CG 1 1 38 . 1 1 35 PHE C 1 1 36 CYS N 1 1 36 CYS CA 1 1 36 CYS C -89.99999 -30.0 . 37 . C . 38 . N . 38 . CA . 38 . C 1 1 39 . 1 1 36 CYS N 1 1 36 CYS CA 1 1 36 CYS C 1 1 37 ASN N -70.0 -10.0 . 38 . N . 38 . CA . 38 . C . 39 . N 1 1 40 . 1 1 36 CYS N 1 1 36 CYS CA 1 1 36 CYS CB 1 1 36 CYS SG -120.0 0.0 . 38 . N . 38 . CA . 38 . CB . 38 . SG 1 1 41 . 1 1 36 CYS C 1 1 37 ASN N 1 1 37 ASN CA 1 1 37 ASN C -89.99999 -30.0 . 38 . C . 39 . N . 39 . CA . 39 . C 1 1 42 . 1 1 37 ASN N 1 1 37 ASN CA 1 1 37 ASN C 1 1 38 ALA N -70.0 -10.0 . 39 . N . 39 . CA . 39 . C . 40 . N 1 1 43 . 1 1 37 ASN N 1 1 37 ASN CA 1 1 37 ASN CB 1 1 37 ASN CG -120.0 0.0 . 39 . N . 39 . CA . 39 . CB . 39 . CG 1 1 44 . 1 1 37 ASN C 1 1 38 ALA N 1 1 38 ALA CA 1 1 38 ALA C -110.0 -10.0 . 39 . C . 40 . N . 40 . CA . 40 . C 1 1 45 . 1 1 38 ALA N 1 1 38 ALA CA 1 1 38 ALA C 1 1 39 VAL N -60.0 0.0 . 40 . N . 40 . CA . 40 . C . 41 . N 1 1 46 . 1 1 38 ALA C 1 1 39 VAL N 1 1 39 VAL CA 1 1 39 VAL C -89.99999 -30.0 . 40 . C . 41 . N . 41 . CA . 41 . C 1 1 47 . 1 1 39 VAL N 1 1 39 VAL CA 1 1 39 VAL C 1 1 40 VAL N -70.0 -10.0 . 41 . N . 41 . CA . 41 . C . 42 . N 1 1 48 . 1 1 39 VAL N 1 1 39 VAL CA 1 1 39 VAL CB 1 1 39 VAL CG1 120.0 240.0 . 41 . N . 41 . CA . 41 . CB . 41 . CG1 1 1 49 . 1 1 39 VAL C 1 1 40 VAL N 1 1 40 VAL CA 1 1 40 VAL C -89.99999 -30.0 . 41 . C . 42 . N . 42 . CA . 42 . C 1 1 50 . 1 1 40 VAL N 1 1 40 VAL CA 1 1 40 VAL C 1 1 41 GLU N -70.0 -10.0 . 42 . N . 42 . CA . 42 . C . 43 . N 1 1 51 . 1 1 40 VAL N 1 1 40 VAL CA 1 1 40 VAL CB 1 1 40 VAL CG1 120.0 240.0 . 42 . N . 42 . CA . 42 . CB . 42 . CG1 1 1 52 . 1 1 44 GLY C 1 1 45 THR N 1 1 45 THR CA 1 1 45 THR C -160.0 -80.0 . 46 . C . 47 . N . 47 . CA . 47 . C 1 1 53 . 1 1 45 THR N 1 1 45 THR CA 1 1 45 THR CB 1 1 45 THR OG1 0.0 120.0 . 47 . N . 47 . CA . 47 . CB . 47 . OG1 1 1 54 . 1 1 46 LEU N 1 1 46 LEU CA 1 1 46 LEU CB 1 1 46 LEU CG 120.0 240.0 . 48 . N . 48 . CA . 48 . CB . 48 . CG 1 1 55 . 1 1 46 LEU C 1 1 47 THR N 1 1 47 THR CA 1 1 47 THR C -150.0 -89.99999 . 48 . C . 49 . N . 49 . CA . 49 . C 1 1 56 . 1 1 47 THR N 1 1 47 THR CA 1 1 47 THR CB 1 1 47 THR OG1 0.0 120.0 . 49 . N . 49 . CA . 49 . CB . 49 . OG1 1 1 57 . 1 1 48 LEU N 1 1 48 LEU CA 1 1 48 LEU CB 1 1 48 LEU CG 120.0 240.0 . 50 . N . 50 . CA . 50 . CB . 50 . CG 1 1 58 . 1 1 48 LEU C 1 1 49 SER N 1 1 49 SER CA 1 1 49 SER C -160.0 -80.0 . 50 . C . 51 . N . 51 . CA . 51 . C 1 1 59 . 1 1 51 PHE N 1 1 51 PHE CA 1 1 51 PHE CB 1 1 51 PHE CG -120.0 0.0 . 53 . N . 53 . CA . 53 . CB . 53 . CG 1 1 60 . 1 1 52 GLY C 1 1 53 LYS N 1 1 53 LYS CA 1 1 53 LYS C -89.99999 -30.0 . 54 . C . 55 . N . 55 . CA . 55 . C 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 ALA C C 3.626 4.161 -10.771 1.00 . A A . 3 ALA C 1 1 1 2 1 1 1 ALA CA C 3.013 3.422 -11.962 1.00 . A A . 3 ALA CA 1 1 1 3 1 1 1 ALA CB C 2.142 4.387 -12.768 1.00 . A A . 3 ALA CB 1 1 1 4 1 1 1 ALA H1 H 2.726 1.729 -10.785 1.00 . A A . 3 ALA H1 1 1 1 5 1 1 1 ALA H2 H 1.898 1.690 -12.267 1.00 . A A . 3 ALA H2 1 1 1 6 1 1 1 ALA H3 H 1.328 2.668 -10.999 1.00 . A A . 3 ALA H3 1 1 1 7 1 1 1 ALA HA H 3.803 3.037 -12.591 1.00 . A A . 3 ALA HA 1 1 1 8 1 1 1 ALA HB1 H 1.548 4.985 -12.094 1.00 . A A . 3 ALA HB1 1 1 1 9 1 1 1 ALA HB2 H 1.488 3.824 -13.419 1.00 . A A . 3 ALA HB2 1 1 1 10 1 1 1 ALA HB3 H 2.773 5.032 -13.362 1.00 . A A . 3 ALA HB3 1 1 1 11 1 1 1 ALA N N 2.178 2.292 -11.466 1.00 . A A . 3 ALA N 1 1 1 12 1 1 1 ALA O O 4.682 4.753 -10.872 1.00 . A A . 3 ALA O 1 1 1 13 1 1 2 VAL C C 3.113 4.056 -7.185 1.00 . A A . 4 VAL C 1 1 1 14 1 1 2 VAL CA C 3.513 4.827 -8.444 1.00 . A A . 4 VAL CA 1 1 1 15 1 1 2 VAL CB C 2.946 6.247 -8.374 1.00 . A A . 4 VAL CB 1 1 1 16 1 1 2 VAL CG1 C 1.426 6.202 -8.549 1.00 . A A . 4 VAL CG1 1 1 1 17 1 1 2 VAL CG2 C 3.283 6.864 -7.015 1.00 . A A . 4 VAL CG2 1 1 1 18 1 1 2 VAL H H 2.120 3.644 -9.585 1.00 . A A . 4 VAL H 1 1 1 19 1 1 2 VAL HA H 4.591 4.872 -8.511 1.00 . A A . 4 VAL HA 1 1 1 20 1 1 2 VAL HB H 3.380 6.847 -9.161 1.00 . A A . 4 VAL HB 1 1 1 21 1 1 2 VAL HG11 H 0.950 6.385 -7.596 1.00 . A A . 4 VAL HG11 1 1 1 22 1 1 2 VAL HG12 H 1.134 5.230 -8.915 1.00 . A A . 4 VAL HG12 1 1 1 23 1 1 2 VAL HG13 H 1.122 6.961 -9.254 1.00 . A A . 4 VAL HG13 1 1 1 24 1 1 2 VAL HG21 H 3.862 6.160 -6.434 1.00 . A A . 4 VAL HG21 1 1 1 25 1 1 2 VAL HG22 H 2.369 7.098 -6.488 1.00 . A A . 4 VAL HG22 1 1 1 26 1 1 2 VAL HG23 H 3.857 7.767 -7.160 1.00 . A A . 4 VAL HG23 1 1 1 27 1 1 2 VAL N N 2.969 4.130 -9.644 1.00 . A A . 4 VAL N 1 1 1 28 1 1 2 VAL O O 1.957 4.019 -6.810 1.00 . A A . 4 VAL O 1 1 1 29 1 1 3 SER C C 4.813 2.898 -4.246 1.00 . A A . 5 SER C 1 1 1 30 1 1 3 SER CA C 3.728 2.669 -5.300 1.00 . A A . 5 SER CA 1 1 1 31 1 1 3 SER CB C 3.650 1.180 -5.638 1.00 . A A . 5 SER CB 1 1 1 32 1 1 3 SER H H 4.981 3.474 -6.851 1.00 . A A . 5 SER H 1 1 1 33 1 1 3 SER HA H 2.776 3.000 -4.913 1.00 . A A . 5 SER HA 1 1 1 34 1 1 3 SER HB2 H 3.967 0.599 -4.788 1.00 . A A . 5 SER HB2 1 1 1 35 1 1 3 SER HB3 H 2.629 0.923 -5.888 1.00 . A A . 5 SER HB3 1 1 1 36 1 1 3 SER HG H 4.583 -0.051 -6.819 1.00 . A A . 5 SER HG 1 1 1 37 1 1 3 SER N N 4.057 3.437 -6.531 1.00 . A A . 5 SER N 1 1 1 38 1 1 3 SER O O 5.058 2.060 -3.402 1.00 . A A . 5 SER O 1 1 1 39 1 1 3 SER OG O 4.503 0.902 -6.740 1.00 . A A . 5 SER OG 1 1 1 40 1 1 4 VAL C C 7.574 3.182 -3.329 1.00 . A A . 6 VAL C 1 1 1 41 1 1 4 VAL CA C 6.536 4.306 -3.285 1.00 . A A . 6 VAL CA 1 1 1 42 1 1 4 VAL CB C 5.919 4.390 -1.887 1.00 . A A . 6 VAL CB 1 1 1 43 1 1 4 VAL CG1 C 7.031 4.482 -0.841 1.00 . A A . 6 VAL CG1 1 1 1 44 1 1 4 VAL CG2 C 5.032 5.634 -1.798 1.00 . A A . 6 VAL CG2 1 1 1 45 1 1 4 VAL H H 5.255 4.694 -4.975 1.00 . A A . 6 VAL H 1 1 1 46 1 1 4 VAL HA H 7.014 5.246 -3.523 1.00 . A A . 6 VAL HA 1 1 1 47 1 1 4 VAL HB H 5.323 3.507 -1.703 1.00 . A A . 6 VAL HB 1 1 1 48 1 1 4 VAL HG11 H 7.656 5.336 -1.056 1.00 . A A . 6 VAL HG11 1 1 1 49 1 1 4 VAL HG12 H 7.628 3.583 -0.868 1.00 . A A . 6 VAL HG12 1 1 1 50 1 1 4 VAL HG13 H 6.594 4.595 0.140 1.00 . A A . 6 VAL HG13 1 1 1 51 1 1 4 VAL HG21 H 5.653 6.513 -1.705 1.00 . A A . 6 VAL HG21 1 1 1 52 1 1 4 VAL HG22 H 4.388 5.557 -0.935 1.00 . A A . 6 VAL HG22 1 1 1 53 1 1 4 VAL HG23 H 4.429 5.712 -2.691 1.00 . A A . 6 VAL HG23 1 1 1 54 1 1 4 VAL N N 5.466 4.028 -4.286 1.00 . A A . 6 VAL N 1 1 1 55 1 1 4 VAL O O 7.340 2.131 -3.890 1.00 . A A . 6 VAL O 1 1 1 56 1 1 5 ASP C C 9.386 1.181 -1.856 1.00 . A A . 7 ASP C 1 1 1 57 1 1 5 ASP CA C 9.780 2.349 -2.771 1.00 . A A . 7 ASP CA 1 1 1 58 1 1 5 ASP CB C 11.100 2.952 -2.288 1.00 . A A . 7 ASP CB 1 1 1 59 1 1 5 ASP CG C 12.109 1.832 -2.021 1.00 . A A . 7 ASP CG 1 1 1 60 1 1 5 ASP H H 8.895 4.258 -2.310 1.00 . A A . 7 ASP H 1 1 1 61 1 1 5 ASP HA H 9.903 1.985 -3.780 1.00 . A A . 7 ASP HA 1 1 1 62 1 1 5 ASP HB2 H 11.491 3.615 -3.047 1.00 . A A . 7 ASP HB2 1 1 1 63 1 1 5 ASP HB3 H 10.932 3.508 -1.376 1.00 . A A . 7 ASP HB3 1 1 1 64 1 1 5 ASP N N 8.723 3.400 -2.751 1.00 . A A . 7 ASP N 1 1 1 65 1 1 5 ASP O O 9.466 1.274 -0.647 1.00 . A A . 7 ASP O 1 1 1 66 1 1 5 ASP OD1 O 12.126 1.331 -0.908 1.00 . A A . 7 ASP OD1 1 1 1 67 1 1 5 ASP OD2 O 12.847 1.497 -2.932 1.00 . A A . 7 ASP OD2 1 1 1 68 1 1 6 CYS C C 9.751 -2.113 -1.630 1.00 . A A . 8 CYS C 1 1 1 69 1 1 6 CYS CA C 8.603 -1.102 -1.595 1.00 . A A . 8 CYS CA 1 1 1 70 1 1 6 CYS CB C 7.341 -1.760 -2.159 1.00 . A A . 8 CYS CB 1 1 1 71 1 1 6 CYS H H 8.937 0.020 -3.404 1.00 . A A . 8 CYS H 1 1 1 72 1 1 6 CYS HA H 8.427 -0.790 -0.577 1.00 . A A . 8 CYS HA 1 1 1 73 1 1 6 CYS HB2 H 7.552 -2.149 -3.144 1.00 . A A . 8 CYS HB2 1 1 1 74 1 1 6 CYS HB3 H 7.040 -2.569 -1.513 1.00 . A A . 8 CYS HB3 1 1 1 75 1 1 6 CYS N N 8.980 0.078 -2.427 1.00 . A A . 8 CYS N 1 1 1 76 1 1 6 CYS O O 9.569 -3.264 -1.976 1.00 . A A . 8 CYS O 1 1 1 77 1 1 6 CYS SG S 6.001 -0.545 -2.271 1.00 . A A . 8 CYS SG 1 1 1 78 1 1 7 SER C C 12.226 -3.271 0.083 1.00 . A A . 9 SER C 1 1 1 79 1 1 7 SER CA C 12.095 -2.627 -1.291 1.00 . A A . 9 SER CA 1 1 1 80 1 1 7 SER CB C 13.374 -1.856 -1.622 1.00 . A A . 9 SER CB 1 1 1 81 1 1 7 SER H H 11.060 -0.762 -0.994 1.00 . A A . 9 SER H 1 1 1 82 1 1 7 SER HA H 11.933 -3.394 -2.036 1.00 . A A . 9 SER HA 1 1 1 83 1 1 7 SER HB2 H 13.312 -0.859 -1.218 1.00 . A A . 9 SER HB2 1 1 1 84 1 1 7 SER HB3 H 14.225 -2.366 -1.186 1.00 . A A . 9 SER HB3 1 1 1 85 1 1 7 SER HG H 13.918 -2.602 -3.335 1.00 . A A . 9 SER HG 1 1 1 86 1 1 7 SER N N 10.936 -1.693 -1.278 1.00 . A A . 9 SER N 1 1 1 87 1 1 7 SER O O 12.697 -4.381 0.227 1.00 . A A . 9 SER O 1 1 1 88 1 1 7 SER OG O 13.525 -1.779 -3.034 1.00 . A A . 9 SER OG 1 1 1 89 1 1 8 GLU C C 10.833 -4.199 2.669 1.00 . A A . 10 GLU C 1 1 1 90 1 1 8 GLU CA C 11.892 -3.103 2.478 1.00 . A A . 10 GLU CA 1 1 1 91 1 1 8 GLU CB C 11.653 -1.937 3.454 1.00 . A A . 10 GLU CB 1 1 1 92 1 1 8 GLU CD C 11.924 -3.317 5.522 1.00 . A A . 10 GLU CD 1 1 1 93 1 1 8 GLU CG C 10.968 -2.421 4.734 1.00 . A A . 10 GLU CG 1 1 1 94 1 1 8 GLU H H 11.433 -1.675 0.944 1.00 . A A . 10 GLU H 1 1 1 95 1 1 8 GLU HA H 12.876 -3.517 2.646 1.00 . A A . 10 GLU HA 1 1 1 96 1 1 8 GLU HB2 H 12.601 -1.486 3.708 1.00 . A A . 10 GLU HB2 1 1 1 97 1 1 8 GLU HB3 H 11.027 -1.198 2.974 1.00 . A A . 10 GLU HB3 1 1 1 98 1 1 8 GLU HG2 H 10.694 -1.567 5.334 1.00 . A A . 10 GLU HG2 1 1 1 99 1 1 8 GLU HG3 H 10.080 -2.978 4.476 1.00 . A A . 10 GLU HG3 1 1 1 100 1 1 8 GLU N N 11.807 -2.569 1.095 1.00 . A A . 10 GLU N 1 1 1 101 1 1 8 GLU O O 10.770 -4.840 3.699 1.00 . A A . 10 GLU O 1 1 1 102 1 1 8 GLU OE1 O 12.633 -4.090 4.896 1.00 . A A . 10 GLU OE1 1 1 1 103 1 1 8 GLU OE2 O 11.935 -3.217 6.738 1.00 . A A . 10 GLU OE2 1 1 1 104 1 1 9 TYR C C 9.446 -6.789 1.274 1.00 . A A . 11 TYR C 1 1 1 105 1 1 9 TYR CA C 8.937 -5.454 1.833 1.00 . A A . 11 TYR CA 1 1 1 106 1 1 9 TYR CB C 7.687 -5.001 1.076 1.00 . A A . 11 TYR CB 1 1 1 107 1 1 9 TYR CD1 C 7.655 -2.580 1.755 1.00 . A A . 11 TYR CD1 1 1 1 108 1 1 9 TYR CD2 C 5.896 -4.031 2.573 1.00 . A A . 11 TYR CD2 1 1 1 109 1 1 9 TYR CE1 C 7.086 -1.500 2.439 1.00 . A A . 11 TYR CE1 1 1 1 110 1 1 9 TYR CE2 C 5.324 -2.951 3.259 1.00 . A A . 11 TYR CE2 1 1 1 111 1 1 9 TYR CG C 7.062 -3.844 1.820 1.00 . A A . 11 TYR CG 1 1 1 112 1 1 9 TYR CZ C 5.919 -1.685 3.190 1.00 . A A . 11 TYR CZ 1 1 1 113 1 1 9 TYR H H 10.051 -3.880 0.870 1.00 . A A . 11 TYR H 1 1 1 114 1 1 9 TYR HA H 8.696 -5.572 2.877 1.00 . A A . 11 TYR HA 1 1 1 115 1 1 9 TYR HB2 H 7.965 -4.685 0.081 1.00 . A A . 11 TYR HB2 1 1 1 116 1 1 9 TYR HB3 H 6.981 -5.812 1.011 1.00 . A A . 11 TYR HB3 1 1 1 117 1 1 9 TYR HD1 H 8.557 -2.441 1.180 1.00 . A A . 11 TYR HD1 1 1 1 118 1 1 9 TYR HD2 H 5.436 -5.007 2.627 1.00 . A A . 11 TYR HD2 1 1 1 119 1 1 9 TYR HE1 H 7.545 -0.523 2.387 1.00 . A A . 11 TYR HE1 1 1 1 120 1 1 9 TYR HE2 H 4.425 -3.095 3.839 1.00 . A A . 11 TYR HE2 1 1 1 121 1 1 9 TYR HH H 4.742 -0.183 3.266 1.00 . A A . 11 TYR HH 1 1 1 122 1 1 9 TYR N N 9.994 -4.411 1.692 1.00 . A A . 11 TYR N 1 1 1 123 1 1 9 TYR O O 10.400 -6.818 0.521 1.00 . A A . 11 TYR O 1 1 1 124 1 1 9 TYR OH O 5.356 -0.619 3.862 1.00 . A A . 11 TYR OH 1 1 1 125 1 1 10 PRO C C 8.095 -7.518 4.023 1.00 . A A . 12 PRO C 1 1 1 126 1 1 10 PRO CA C 7.649 -7.816 2.593 1.00 . A A . 12 PRO CA 1 1 1 127 1 1 10 PRO CB C 7.044 -9.217 2.480 1.00 . A A . 12 PRO CB 1 1 1 128 1 1 10 PRO CD C 9.196 -9.222 1.263 1.00 . A A . 12 PRO CD 1 1 1 129 1 1 10 PRO CG C 8.173 -10.138 1.962 1.00 . A A . 12 PRO CG 1 1 1 130 1 1 10 PRO HA H 6.934 -7.085 2.265 1.00 . A A . 12 PRO HA 1 1 1 131 1 1 10 PRO HB2 H 6.702 -9.551 3.450 1.00 . A A . 12 PRO HB2 1 1 1 132 1 1 10 PRO HB3 H 6.226 -9.213 1.777 1.00 . A A . 12 PRO HB3 1 1 1 133 1 1 10 PRO HD2 H 10.199 -9.453 1.600 1.00 . A A . 12 PRO HD2 1 1 1 134 1 1 10 PRO HD3 H 9.124 -9.320 0.191 1.00 . A A . 12 PRO HD3 1 1 1 135 1 1 10 PRO HG2 H 8.637 -10.655 2.791 1.00 . A A . 12 PRO HG2 1 1 1 136 1 1 10 PRO HG3 H 7.776 -10.848 1.254 1.00 . A A . 12 PRO HG3 1 1 1 137 1 1 10 PRO N N 8.807 -7.859 1.678 1.00 . A A . 12 PRO N 1 1 1 138 1 1 10 PRO O O 9.241 -7.697 4.384 1.00 . A A . 12 PRO O 1 1 1 139 1 1 11 LYS C C 7.145 -7.870 7.168 1.00 . A A . 13 LYS C 1 1 1 140 1 1 11 LYS CA C 7.542 -6.715 6.243 1.00 . A A . 13 LYS CA 1 1 1 141 1 1 11 LYS CB C 6.777 -5.460 6.659 1.00 . A A . 13 LYS CB 1 1 1 142 1 1 11 LYS CD C 7.002 -2.989 6.820 1.00 . A A . 13 LYS CD 1 1 1 143 1 1 11 LYS CE C 6.847 -1.796 5.876 1.00 . A A . 13 LYS CE 1 1 1 144 1 1 11 LYS CG C 7.427 -4.226 6.031 1.00 . A A . 13 LYS CG 1 1 1 145 1 1 11 LYS H H 6.275 -6.904 4.515 1.00 . A A . 13 LYS H 1 1 1 146 1 1 11 LYS HA H 8.603 -6.534 6.321 1.00 . A A . 13 LYS HA 1 1 1 147 1 1 11 LYS HB2 H 5.754 -5.538 6.321 1.00 . A A . 13 LYS HB2 1 1 1 148 1 1 11 LYS HB3 H 6.795 -5.366 7.734 1.00 . A A . 13 LYS HB3 1 1 1 149 1 1 11 LYS HD2 H 6.057 -3.186 7.304 1.00 . A A . 13 LYS HD2 1 1 1 150 1 1 11 LYS HD3 H 7.750 -2.762 7.564 1.00 . A A . 13 LYS HD3 1 1 1 151 1 1 11 LYS HE2 H 7.449 -1.953 4.993 1.00 . A A . 13 LYS HE2 1 1 1 152 1 1 11 LYS HE3 H 5.809 -1.696 5.591 1.00 . A A . 13 LYS HE3 1 1 1 153 1 1 11 LYS HG2 H 8.502 -4.326 6.065 1.00 . A A . 13 LYS HG2 1 1 1 154 1 1 11 LYS HG3 H 7.103 -4.128 5.006 1.00 . A A . 13 LYS HG3 1 1 1 155 1 1 11 LYS HZ1 H 7.896 -0.807 7.378 1.00 . A A . 13 LYS HZ1 1 1 1 156 1 1 11 LYS HZ2 H 6.460 -0.030 6.908 1.00 . A A . 13 LYS HZ2 1 1 1 157 1 1 11 LYS HZ3 H 7.832 0.038 5.909 1.00 . A A . 13 LYS HZ3 1 1 1 158 1 1 11 LYS N N 7.190 -7.048 4.835 1.00 . A A . 13 LYS N 1 1 1 159 1 1 11 LYS NZ N 7.293 -0.555 6.570 1.00 . A A . 13 LYS NZ 1 1 1 160 1 1 11 LYS O O 6.258 -8.638 6.855 1.00 . A A . 13 LYS O 1 1 1 161 1 1 12 PRO C C 6.306 -8.611 10.118 1.00 . A A . 14 PRO C 1 1 1 162 1 1 12 PRO CA C 7.549 -8.986 9.300 1.00 . A A . 14 PRO CA 1 1 1 163 1 1 12 PRO CB C 8.808 -8.968 10.173 1.00 . A A . 14 PRO CB 1 1 1 164 1 1 12 PRO CD C 8.893 -7.008 8.660 1.00 . A A . 14 PRO CD 1 1 1 165 1 1 12 PRO CG C 9.455 -7.574 9.978 1.00 . A A . 14 PRO CG 1 1 1 166 1 1 12 PRO HA H 7.430 -9.951 8.835 1.00 . A A . 14 PRO HA 1 1 1 167 1 1 12 PRO HB2 H 8.542 -9.115 11.210 1.00 . A A . 14 PRO HB2 1 1 1 168 1 1 12 PRO HB3 H 9.496 -9.735 9.851 1.00 . A A . 14 PRO HB3 1 1 1 169 1 1 12 PRO HD2 H 8.497 -6.014 8.817 1.00 . A A . 14 PRO HD2 1 1 1 170 1 1 12 PRO HD3 H 9.655 -6.997 7.897 1.00 . A A . 14 PRO HD3 1 1 1 171 1 1 12 PRO HG2 H 9.195 -6.928 10.805 1.00 . A A . 14 PRO HG2 1 1 1 172 1 1 12 PRO HG3 H 10.527 -7.670 9.905 1.00 . A A . 14 PRO HG3 1 1 1 173 1 1 12 PRO N N 7.813 -7.948 8.292 1.00 . A A . 14 PRO N 1 1 1 174 1 1 12 PRO O O 5.897 -9.325 11.012 1.00 . A A . 14 PRO O 1 1 1 175 1 1 13 ALA C C 4.174 -5.604 10.166 1.00 . A A . 15 ALA C 1 1 1 176 1 1 13 ALA CA C 4.491 -7.052 10.552 1.00 . A A . 15 ALA CA 1 1 1 177 1 1 13 ALA CB C 4.746 -7.138 12.057 1.00 . A A . 15 ALA CB 1 1 1 178 1 1 13 ALA H H 6.056 -6.936 9.082 1.00 . A A . 15 ALA H 1 1 1 179 1 1 13 ALA HA H 3.657 -7.687 10.287 1.00 . A A . 15 ALA HA 1 1 1 180 1 1 13 ALA HB1 H 3.991 -7.759 12.515 1.00 . A A . 15 ALA HB1 1 1 1 181 1 1 13 ALA HB2 H 4.706 -6.147 12.486 1.00 . A A . 15 ALA HB2 1 1 1 182 1 1 13 ALA HB3 H 5.721 -7.568 12.233 1.00 . A A . 15 ALA HB3 1 1 1 183 1 1 13 ALA N N 5.706 -7.492 9.808 1.00 . A A . 15 ALA N 1 1 1 184 1 1 13 ALA O O 5.061 -4.819 9.897 1.00 . A A . 15 ALA O 1 1 1 185 1 1 14 CYS C C 2.352 -3.001 11.018 1.00 . A A . 16 CYS C 1 1 1 186 1 1 14 CYS CA C 2.567 -3.842 9.756 1.00 . A A . 16 CYS CA 1 1 1 187 1 1 14 CYS CB C 1.286 -3.844 8.919 1.00 . A A . 16 CYS CB 1 1 1 188 1 1 14 CYS H H 2.214 -5.886 10.348 1.00 . A A . 16 CYS H 1 1 1 189 1 1 14 CYS HA H 3.374 -3.416 9.178 1.00 . A A . 16 CYS HA 1 1 1 190 1 1 14 CYS HB2 H 0.596 -4.569 9.321 1.00 . A A . 16 CYS HB2 1 1 1 191 1 1 14 CYS HB3 H 0.836 -2.863 8.951 1.00 . A A . 16 CYS HB3 1 1 1 192 1 1 14 CYS N N 2.921 -5.241 10.132 1.00 . A A . 16 CYS N 1 1 1 193 1 1 14 CYS O O 2.029 -3.513 12.071 1.00 . A A . 16 CYS O 1 1 1 194 1 1 14 CYS SG S 1.676 -4.270 7.202 1.00 . A A . 16 CYS SG 1 1 1 195 1 1 15 THR C C 0.879 -0.354 12.147 1.00 . A A . 17 THR C 1 1 1 196 1 1 15 THR CA C 2.333 -0.829 12.099 1.00 . A A . 17 THR CA 1 1 1 197 1 1 15 THR CB C 3.263 0.381 11.984 1.00 . A A . 17 THR CB 1 1 1 198 1 1 15 THR CG2 C 4.389 0.262 13.013 1.00 . A A . 17 THR CG2 1 1 1 199 1 1 15 THR H H 2.787 -1.322 10.052 1.00 . A A . 17 THR H 1 1 1 200 1 1 15 THR HA H 2.563 -1.376 12.999 1.00 . A A . 17 THR HA 1 1 1 201 1 1 15 THR HB H 2.705 1.285 12.172 1.00 . A A . 17 THR HB 1 1 1 202 1 1 15 THR HG1 H 4.674 -0.008 10.700 1.00 . A A . 17 THR HG1 1 1 1 203 1 1 15 THR HG21 H 4.141 0.845 13.888 1.00 . A A . 17 THR HG21 1 1 1 204 1 1 15 THR HG22 H 5.309 0.630 12.585 1.00 . A A . 17 THR HG22 1 1 1 205 1 1 15 THR HG23 H 4.511 -0.775 13.293 1.00 . A A . 17 THR HG23 1 1 1 206 1 1 15 THR N N 2.527 -1.713 10.914 1.00 . A A . 17 THR N 1 1 1 207 1 1 15 THR O O 0.082 -0.682 11.291 1.00 . A A . 17 THR O 1 1 1 208 1 1 15 THR OG1 O 3.819 0.431 10.676 1.00 . A A . 17 THR OG1 1 1 1 209 1 1 16 MET C C -1.050 2.144 12.345 1.00 . A A . 18 MET C 1 1 1 210 1 1 16 MET CA C -0.877 0.909 13.232 1.00 . A A . 18 MET CA 1 1 1 211 1 1 16 MET CB C -1.200 1.273 14.684 1.00 . A A . 18 MET CB 1 1 1 212 1 1 16 MET CE C -1.834 0.388 17.948 1.00 . A A . 18 MET CE 1 1 1 213 1 1 16 MET CG C -2.183 0.250 15.258 1.00 . A A . 18 MET CG 1 1 1 214 1 1 16 MET H H 1.182 0.674 13.821 1.00 . A A . 18 MET H 1 1 1 215 1 1 16 MET HA H -1.551 0.133 12.900 1.00 . A A . 18 MET HA 1 1 1 216 1 1 16 MET HB2 H -0.291 1.271 15.267 1.00 . A A . 18 MET HB2 1 1 1 217 1 1 16 MET HB3 H -1.646 2.256 14.718 1.00 . A A . 18 MET HB3 1 1 1 218 1 1 16 MET HE1 H -2.304 1.283 17.560 1.00 . A A . 18 MET HE1 1 1 1 219 1 1 16 MET HE2 H -0.953 0.660 18.506 1.00 . A A . 18 MET HE2 1 1 1 220 1 1 16 MET HE3 H -2.523 -0.133 18.599 1.00 . A A . 18 MET HE3 1 1 1 221 1 1 16 MET HG2 H -3.043 0.763 15.660 1.00 . A A . 18 MET HG2 1 1 1 222 1 1 16 MET HG3 H -2.498 -0.423 14.475 1.00 . A A . 18 MET HG3 1 1 1 223 1 1 16 MET N N 0.526 0.418 13.139 1.00 . A A . 18 MET N 1 1 1 224 1 1 16 MET O O -2.055 2.823 12.401 1.00 . A A . 18 MET O 1 1 1 225 1 1 16 MET SD S -1.372 -0.693 16.573 1.00 . A A . 18 MET SD 1 1 1 226 1 1 17 GLU C C -1.603 3.664 10.027 1.00 . A A . 19 GLU C 1 1 1 227 1 1 17 GLU CA C -0.195 3.629 10.626 1.00 . A A . 19 GLU CA 1 1 1 228 1 1 17 GLU CB C 0.840 3.531 9.500 1.00 . A A . 19 GLU CB 1 1 1 229 1 1 17 GLU CD C 2.368 5.513 9.530 1.00 . A A . 19 GLU CD 1 1 1 230 1 1 17 GLU CG C 1.097 4.922 8.916 1.00 . A A . 19 GLU CG 1 1 1 231 1 1 17 GLU H H 0.727 1.878 11.487 1.00 . A A . 19 GLU H 1 1 1 232 1 1 17 GLU HA H -0.023 4.530 11.196 1.00 . A A . 19 GLU HA 1 1 1 233 1 1 17 GLU HB2 H 1.762 3.129 9.895 1.00 . A A . 19 GLU HB2 1 1 1 234 1 1 17 GLU HB3 H 0.466 2.879 8.724 1.00 . A A . 19 GLU HB3 1 1 1 235 1 1 17 GLU HG2 H 1.218 4.845 7.844 1.00 . A A . 19 GLU HG2 1 1 1 236 1 1 17 GLU HG3 H 0.260 5.567 9.137 1.00 . A A . 19 GLU HG3 1 1 1 237 1 1 17 GLU N N -0.076 2.440 11.520 1.00 . A A . 19 GLU N 1 1 1 238 1 1 17 GLU O O -2.066 2.700 9.451 1.00 . A A . 19 GLU O 1 1 1 239 1 1 17 GLU OE1 O 3.440 5.026 9.208 1.00 . A A . 19 GLU OE1 1 1 1 240 1 1 17 GLU OE2 O 2.249 6.442 10.312 1.00 . A A . 19 GLU OE2 1 1 1 241 1 1 18 TYR C C -3.641 5.554 8.257 1.00 . A A . 20 TYR C 1 1 1 242 1 1 18 TYR CA C -3.671 4.857 9.615 1.00 . A A . 20 TYR CA 1 1 1 243 1 1 18 TYR CB C -4.533 5.674 10.565 1.00 . A A . 20 TYR CB 1 1 1 244 1 1 18 TYR CD1 C -6.498 4.569 9.437 1.00 . A A . 20 TYR CD1 1 1 1 245 1 1 18 TYR CD2 C -6.664 5.121 11.791 1.00 . A A . 20 TYR CD2 1 1 1 246 1 1 18 TYR CE1 C -7.796 4.042 9.469 1.00 . A A . 20 TYR CE1 1 1 1 247 1 1 18 TYR CE2 C -7.961 4.597 11.823 1.00 . A A . 20 TYR CE2 1 1 1 248 1 1 18 TYR CG C -5.932 5.107 10.598 1.00 . A A . 20 TYR CG 1 1 1 249 1 1 18 TYR CZ C -8.527 4.058 10.662 1.00 . A A . 20 TYR CZ 1 1 1 250 1 1 18 TYR H H -1.900 5.526 10.642 1.00 . A A . 20 TYR H 1 1 1 251 1 1 18 TYR HA H -4.089 3.866 9.509 1.00 . A A . 20 TYR HA 1 1 1 252 1 1 18 TYR HB2 H -4.104 5.643 11.555 1.00 . A A . 20 TYR HB2 1 1 1 253 1 1 18 TYR HB3 H -4.563 6.690 10.214 1.00 . A A . 20 TYR HB3 1 1 1 254 1 1 18 TYR HD1 H -5.934 4.556 8.515 1.00 . A A . 20 TYR HD1 1 1 1 255 1 1 18 TYR HD2 H -6.229 5.538 12.688 1.00 . A A . 20 TYR HD2 1 1 1 256 1 1 18 TYR HE1 H -8.233 3.627 8.573 1.00 . A A . 20 TYR HE1 1 1 1 257 1 1 18 TYR HE2 H -8.526 4.608 12.743 1.00 . A A . 20 TYR HE2 1 1 1 258 1 1 18 TYR HH H -10.391 4.167 10.264 1.00 . A A . 20 TYR HH 1 1 1 259 1 1 18 TYR N N -2.290 4.763 10.167 1.00 . A A . 20 TYR N 1 1 1 260 1 1 18 TYR O O -4.436 6.428 7.979 1.00 . A A . 20 TYR O 1 1 1 261 1 1 18 TYR OH O -9.806 3.538 10.695 1.00 . A A . 20 TYR OH 1 1 1 262 1 1 19 ARG C C -3.597 5.092 5.106 1.00 . A A . 21 ARG C 1 1 1 263 1 1 19 ARG CA C -2.643 5.812 6.069 1.00 . A A . 21 ARG CA 1 1 1 264 1 1 19 ARG CB C -1.210 5.692 5.545 1.00 . A A . 21 ARG CB 1 1 1 265 1 1 19 ARG CD C -0.838 8.010 4.680 1.00 . A A . 21 ARG CD 1 1 1 266 1 1 19 ARG CG C -0.466 7.010 5.777 1.00 . A A . 21 ARG CG 1 1 1 267 1 1 19 ARG CZ C -1.136 10.413 4.765 1.00 . A A . 21 ARG CZ 1 1 1 268 1 1 19 ARG H H -2.106 4.470 7.667 1.00 . A A . 21 ARG H 1 1 1 269 1 1 19 ARG HA H -2.911 6.853 6.146 1.00 . A A . 21 ARG HA 1 1 1 270 1 1 19 ARG HB2 H -0.702 4.895 6.069 1.00 . A A . 21 ARG HB2 1 1 1 271 1 1 19 ARG HB3 H -1.228 5.473 4.489 1.00 . A A . 21 ARG HB3 1 1 1 272 1 1 19 ARG HD2 H -0.341 7.737 3.759 1.00 . A A . 21 ARG HD2 1 1 1 273 1 1 19 ARG HD3 H -1.907 7.999 4.529 1.00 . A A . 21 ARG HD3 1 1 1 274 1 1 19 ARG HE H 0.421 9.503 5.595 1.00 . A A . 21 ARG HE 1 1 1 275 1 1 19 ARG HG2 H -0.740 7.414 6.741 1.00 . A A . 21 ARG HG2 1 1 1 276 1 1 19 ARG HG3 H 0.599 6.832 5.752 1.00 . A A . 21 ARG HG3 1 1 1 277 1 1 19 ARG HH11 H -0.335 10.600 2.939 1.00 . A A . 21 ARG HH11 1 1 1 278 1 1 19 ARG HH12 H -1.558 11.759 3.341 1.00 . A A . 21 ARG HH12 1 1 1 279 1 1 19 ARG HH21 H -2.104 10.473 6.516 1.00 . A A . 21 ARG HH21 1 1 1 280 1 1 19 ARG HH22 H -2.561 11.686 5.367 1.00 . A A . 21 ARG HH22 1 1 1 281 1 1 19 ARG N N -2.732 5.175 7.414 1.00 . A A . 21 ARG N 1 1 1 282 1 1 19 ARG NE N -0.409 9.380 5.087 1.00 . A A . 21 ARG NE 1 1 1 283 1 1 19 ARG NH1 N -1.000 10.968 3.591 1.00 . A A . 21 ARG NH1 1 1 1 284 1 1 19 ARG NH2 N -2.000 10.896 5.616 1.00 . A A . 21 ARG NH2 1 1 1 285 1 1 19 ARG O O -3.393 3.938 4.788 1.00 . A A . 21 ARG O 1 1 1 286 1 1 20 PRO C C -5.086 5.251 2.305 1.00 . A A . 22 PRO C 1 1 1 287 1 1 20 PRO CA C -5.613 5.220 3.743 1.00 . A A . 22 PRO CA 1 1 1 288 1 1 20 PRO CB C -6.815 6.157 3.896 1.00 . A A . 22 PRO CB 1 1 1 289 1 1 20 PRO CD C -4.880 7.186 5.054 1.00 . A A . 22 PRO CD 1 1 1 290 1 1 20 PRO CG C -6.258 7.497 4.438 1.00 . A A . 22 PRO CG 1 1 1 291 1 1 20 PRO HA H -5.885 4.220 4.034 1.00 . A A . 22 PRO HA 1 1 1 292 1 1 20 PRO HB2 H -7.289 6.308 2.938 1.00 . A A . 22 PRO HB2 1 1 1 293 1 1 20 PRO HB3 H -7.522 5.746 4.600 1.00 . A A . 22 PRO HB3 1 1 1 294 1 1 20 PRO HD2 H -4.126 7.843 4.637 1.00 . A A . 22 PRO HD2 1 1 1 295 1 1 20 PRO HD3 H -4.914 7.279 6.127 1.00 . A A . 22 PRO HD3 1 1 1 296 1 1 20 PRO HG2 H -6.156 8.208 3.630 1.00 . A A . 22 PRO HG2 1 1 1 297 1 1 20 PRO HG3 H -6.915 7.890 5.198 1.00 . A A . 22 PRO HG3 1 1 1 298 1 1 20 PRO N N -4.617 5.786 4.668 1.00 . A A . 22 PRO N 1 1 1 299 1 1 20 PRO O O -4.819 6.300 1.755 1.00 . A A . 22 PRO O 1 1 1 300 1 1 21 LEU C C -5.509 3.474 -0.616 1.00 . A A . 23 LEU C 1 1 1 301 1 1 21 LEU CA C -4.439 4.087 0.284 1.00 . A A . 23 LEU CA 1 1 1 302 1 1 21 LEU CB C -3.159 3.252 0.189 1.00 . A A . 23 LEU CB 1 1 1 303 1 1 21 LEU CD1 C -0.745 3.173 0.823 1.00 . A A . 23 LEU CD1 1 1 1 304 1 1 21 LEU CD2 C -1.953 5.358 0.785 1.00 . A A . 23 LEU CD2 1 1 1 305 1 1 21 LEU CG C -2.083 3.864 1.086 1.00 . A A . 23 LEU CG 1 1 1 306 1 1 21 LEU H H -5.163 3.273 2.144 1.00 . A A . 23 LEU H 1 1 1 307 1 1 21 LEU HA H -4.233 5.097 -0.039 1.00 . A A . 23 LEU HA 1 1 1 308 1 1 21 LEU HB2 H -3.362 2.242 0.510 1.00 . A A . 23 LEU HB2 1 1 1 309 1 1 21 LEU HB3 H -2.810 3.241 -0.836 1.00 . A A . 23 LEU HB3 1 1 1 310 1 1 21 LEU HD11 H -0.777 2.167 1.212 1.00 . A A . 23 LEU HD11 1 1 1 311 1 1 21 LEU HD12 H 0.045 3.724 1.311 1.00 . A A . 23 LEU HD12 1 1 1 312 1 1 21 LEU HD13 H -0.559 3.142 -0.240 1.00 . A A . 23 LEU HD13 1 1 1 313 1 1 21 LEU HD21 H -1.713 5.497 -0.258 1.00 . A A . 23 LEU HD21 1 1 1 314 1 1 21 LEU HD22 H -1.167 5.781 1.395 1.00 . A A . 23 LEU HD22 1 1 1 315 1 1 21 LEU HD23 H -2.886 5.854 1.010 1.00 . A A . 23 LEU HD23 1 1 1 316 1 1 21 LEU HG H -2.359 3.727 2.122 1.00 . A A . 23 LEU HG 1 1 1 317 1 1 21 LEU N N -4.938 4.110 1.688 1.00 . A A . 23 LEU N 1 1 1 318 1 1 21 LEU O O -5.946 2.360 -0.406 1.00 . A A . 23 LEU O 1 1 1 319 1 1 22 CYS C C -6.272 2.876 -3.650 1.00 . A A . 24 CYS C 1 1 1 320 1 1 22 CYS CA C -6.970 3.641 -2.528 1.00 . A A . 24 CYS CA 1 1 1 321 1 1 22 CYS CB C -7.785 4.789 -3.125 1.00 . A A . 24 CYS CB 1 1 1 322 1 1 22 CYS H H -5.567 5.086 -1.773 1.00 . A A . 24 CYS H 1 1 1 323 1 1 22 CYS HA H -7.622 2.977 -1.979 1.00 . A A . 24 CYS HA 1 1 1 324 1 1 22 CYS HB2 H -8.238 5.361 -2.330 1.00 . A A . 24 CYS HB2 1 1 1 325 1 1 22 CYS HB3 H -7.133 5.429 -3.702 1.00 . A A . 24 CYS HB3 1 1 1 326 1 1 22 CYS N N -5.933 4.190 -1.617 1.00 . A A . 24 CYS N 1 1 1 327 1 1 22 CYS O O -5.837 3.457 -4.620 1.00 . A A . 24 CYS O 1 1 1 328 1 1 22 CYS SG S -9.077 4.116 -4.200 1.00 . A A . 24 CYS SG 1 1 1 329 1 1 23 GLY C C -6.160 0.978 -5.918 1.00 . A A . 25 GLY C 1 1 1 330 1 1 23 GLY CA C -5.454 0.782 -4.574 1.00 . A A . 25 GLY CA 1 1 1 331 1 1 23 GLY H H -6.493 1.136 -2.717 1.00 . A A . 25 GLY H 1 1 1 332 1 1 23 GLY HA2 H -4.428 1.111 -4.656 1.00 . A A . 25 GLY HA2 1 1 1 333 1 1 23 GLY HA3 H -5.477 -0.264 -4.307 1.00 . A A . 25 GLY HA3 1 1 1 334 1 1 23 GLY N N -6.144 1.581 -3.517 1.00 . A A . 25 GLY N 1 1 1 335 1 1 23 GLY O O -7.352 1.220 -5.974 1.00 . A A . 25 GLY O 1 1 1 336 1 1 24 SER C C -7.186 0.036 -8.555 1.00 . A A . 26 SER C 1 1 1 337 1 1 24 SER CA C -6.055 1.051 -8.350 1.00 . A A . 26 SER CA 1 1 1 338 1 1 24 SER CB C -4.988 0.852 -9.424 1.00 . A A . 26 SER CB 1 1 1 339 1 1 24 SER H H -4.473 0.668 -6.938 1.00 . A A . 26 SER H 1 1 1 340 1 1 24 SER HA H -6.456 2.051 -8.427 1.00 . A A . 26 SER HA 1 1 1 341 1 1 24 SER HB2 H -4.037 0.665 -8.955 1.00 . A A . 26 SER HB2 1 1 1 342 1 1 24 SER HB3 H -5.253 0.006 -10.043 1.00 . A A . 26 SER HB3 1 1 1 343 1 1 24 SER HG H -5.618 2.017 -10.847 1.00 . A A . 26 SER HG 1 1 1 344 1 1 24 SER N N -5.433 0.870 -7.006 1.00 . A A . 26 SER N 1 1 1 345 1 1 24 SER O O -7.959 0.140 -9.486 1.00 . A A . 26 SER O 1 1 1 346 1 1 24 SER OG O -4.894 2.026 -10.218 1.00 . A A . 26 SER OG 1 1 1 347 1 1 25 ASP C C -9.649 -1.432 -7.166 1.00 . A A . 27 ASP C 1 1 1 348 1 1 25 ASP CA C -8.376 -1.950 -7.844 1.00 . A A . 27 ASP CA 1 1 1 349 1 1 25 ASP CB C -7.943 -3.259 -7.182 1.00 . A A . 27 ASP CB 1 1 1 350 1 1 25 ASP CG C -7.903 -3.076 -5.665 1.00 . A A . 27 ASP CG 1 1 1 351 1 1 25 ASP H H -6.662 -1.009 -6.949 1.00 . A A . 27 ASP H 1 1 1 352 1 1 25 ASP HA H -8.570 -2.122 -8.894 1.00 . A A . 27 ASP HA 1 1 1 353 1 1 25 ASP HB2 H -8.645 -4.042 -7.433 1.00 . A A . 27 ASP HB2 1 1 1 354 1 1 25 ASP HB3 H -6.961 -3.531 -7.536 1.00 . A A . 27 ASP HB3 1 1 1 355 1 1 25 ASP N N -7.292 -0.940 -7.694 1.00 . A A . 27 ASP N 1 1 1 356 1 1 25 ASP O O -10.561 -2.182 -6.880 1.00 . A A . 27 ASP O 1 1 1 357 1 1 25 ASP OD1 O -7.816 -1.939 -5.229 1.00 . A A . 27 ASP OD1 1 1 1 358 1 1 25 ASP OD2 O -7.955 -4.074 -4.964 1.00 . A A . 27 ASP OD2 1 1 1 359 1 1 26 ASN C C -11.040 -0.149 -4.832 1.00 . A A . 28 ASN C 1 1 1 360 1 1 26 ASN CA C -10.927 0.410 -6.250 1.00 . A A . 28 ASN CA 1 1 1 361 1 1 26 ASN CB C -12.169 0.024 -7.053 1.00 . A A . 28 ASN CB 1 1 1 362 1 1 26 ASN CG C -13.068 1.250 -7.215 1.00 . A A . 28 ASN CG 1 1 1 363 1 1 26 ASN H H -8.973 0.435 -7.145 1.00 . A A . 28 ASN H 1 1 1 364 1 1 26 ASN HA H -10.846 1.485 -6.208 1.00 . A A . 28 ASN HA 1 1 1 365 1 1 26 ASN HB2 H -11.871 -0.339 -8.028 1.00 . A A . 28 ASN HB2 1 1 1 366 1 1 26 ASN HB3 H -12.711 -0.751 -6.532 1.00 . A A . 28 ASN HB3 1 1 1 367 1 1 26 ASN HD21 H -14.553 0.231 -8.048 1.00 . A A . 28 ASN HD21 1 1 1 368 1 1 26 ASN HD22 H -14.831 1.894 -7.859 1.00 . A A . 28 ASN HD22 1 1 1 369 1 1 26 ASN N N -9.718 -0.154 -6.908 1.00 . A A . 28 ASN N 1 1 1 370 1 1 26 ASN ND2 N -14.249 1.114 -7.753 1.00 . A A . 28 ASN ND2 1 1 1 371 1 1 26 ASN O O -12.117 -0.436 -4.352 1.00 . A A . 28 ASN O 1 1 1 372 1 1 26 ASN OD1 O -12.689 2.345 -6.849 1.00 . A A . 28 ASN OD1 1 1 1 373 1 1 27 LYS C C -9.320 0.118 -1.794 1.00 . A A . 29 LYS C 1 1 1 374 1 1 27 LYS CA C -9.994 -0.853 -2.768 1.00 . A A . 29 LYS CA 1 1 1 375 1 1 27 LYS CB C -9.282 -2.205 -2.719 1.00 . A A . 29 LYS CB 1 1 1 376 1 1 27 LYS CD C -9.436 -3.577 -0.635 1.00 . A A . 29 LYS CD 1 1 1 377 1 1 27 LYS CE C -10.473 -4.049 0.383 1.00 . A A . 29 LYS CE 1 1 1 378 1 1 27 LYS CG C -10.141 -3.203 -1.939 1.00 . A A . 29 LYS CG 1 1 1 379 1 1 27 LYS H H -9.069 -0.073 -4.559 1.00 . A A . 29 LYS H 1 1 1 380 1 1 27 LYS HA H -11.027 -0.984 -2.481 1.00 . A A . 29 LYS HA 1 1 1 381 1 1 27 LYS HB2 H -9.131 -2.569 -3.725 1.00 . A A . 29 LYS HB2 1 1 1 382 1 1 27 LYS HB3 H -8.328 -2.093 -2.228 1.00 . A A . 29 LYS HB3 1 1 1 383 1 1 27 LYS HD2 H -8.728 -4.373 -0.825 1.00 . A A . 29 LYS HD2 1 1 1 384 1 1 27 LYS HD3 H -8.915 -2.716 -0.243 1.00 . A A . 29 LYS HD3 1 1 1 385 1 1 27 LYS HE2 H -11.078 -3.210 0.696 1.00 . A A . 29 LYS HE2 1 1 1 386 1 1 27 LYS HE3 H -11.106 -4.798 -0.069 1.00 . A A . 29 LYS HE3 1 1 1 387 1 1 27 LYS HG2 H -11.098 -2.753 -1.714 1.00 . A A . 29 LYS HG2 1 1 1 388 1 1 27 LYS HG3 H -10.291 -4.091 -2.535 1.00 . A A . 29 LYS HG3 1 1 1 389 1 1 27 LYS HZ1 H -9.353 -3.869 2.129 1.00 . A A . 29 LYS HZ1 1 1 1 390 1 1 27 LYS HZ2 H -9.040 -5.288 1.247 1.00 . A A . 29 LYS HZ2 1 1 1 391 1 1 27 LYS HZ3 H -10.470 -5.145 2.152 1.00 . A A . 29 LYS HZ3 1 1 1 392 1 1 27 LYS N N -9.935 -0.308 -4.154 1.00 . A A . 29 LYS N 1 1 1 393 1 1 27 LYS NZ N -9.782 -4.632 1.567 1.00 . A A . 29 LYS NZ 1 1 1 394 1 1 27 LYS O O -8.536 0.961 -2.182 1.00 . A A . 29 LYS O 1 1 1 395 1 1 28 THR C C -7.950 0.136 1.284 1.00 . A A . 30 THR C 1 1 1 396 1 1 28 THR CA C -8.996 0.910 0.478 1.00 . A A . 30 THR CA 1 1 1 397 1 1 28 THR CB C -10.079 1.442 1.422 1.00 . A A . 30 THR CB 1 1 1 398 1 1 28 THR CG2 C -9.423 2.119 2.629 1.00 . A A . 30 THR CG2 1 1 1 399 1 1 28 THR H H -10.251 -0.689 -0.236 1.00 . A A . 30 THR H 1 1 1 400 1 1 28 THR HA H -8.523 1.737 -0.028 1.00 . A A . 30 THR HA 1 1 1 401 1 1 28 THR HB H -10.693 0.625 1.764 1.00 . A A . 30 THR HB 1 1 1 402 1 1 28 THR HG1 H -11.605 1.908 0.308 1.00 . A A . 30 THR HG1 1 1 1 403 1 1 28 THR HG21 H -8.797 2.930 2.290 1.00 . A A . 30 THR HG21 1 1 1 404 1 1 28 THR HG22 H -8.823 1.400 3.163 1.00 . A A . 30 THR HG22 1 1 1 405 1 1 28 THR HG23 H -10.189 2.506 3.284 1.00 . A A . 30 THR HG23 1 1 1 406 1 1 28 THR N N -9.619 0.000 -0.526 1.00 . A A . 30 THR N 1 1 1 407 1 1 28 THR O O -8.087 -1.047 1.522 1.00 . A A . 30 THR O 1 1 1 408 1 1 28 THR OG1 O -10.885 2.385 0.730 1.00 . A A . 30 THR OG1 1 1 1 409 1 1 29 TYR C C -5.618 0.828 3.800 1.00 . A A . 31 TYR C 1 1 1 410 1 1 29 TYR CA C -5.841 0.100 2.478 1.00 . A A . 31 TYR CA 1 1 1 411 1 1 29 TYR CB C -4.557 0.093 1.659 1.00 . A A . 31 TYR CB 1 1 1 412 1 1 29 TYR CD1 C -4.586 -2.416 1.414 1.00 . A A . 31 TYR CD1 1 1 1 413 1 1 29 TYR CD2 C -4.439 -1.048 -0.582 1.00 . A A . 31 TYR CD2 1 1 1 414 1 1 29 TYR CE1 C -4.563 -3.572 0.623 1.00 . A A . 31 TYR CE1 1 1 1 415 1 1 29 TYR CE2 C -4.418 -2.204 -1.372 1.00 . A A . 31 TYR CE2 1 1 1 416 1 1 29 TYR CG C -4.523 -1.155 0.810 1.00 . A A . 31 TYR CG 1 1 1 417 1 1 29 TYR CZ C -4.480 -3.466 -0.770 1.00 . A A . 31 TYR CZ 1 1 1 418 1 1 29 TYR H H -6.804 1.744 1.489 1.00 . A A . 31 TYR H 1 1 1 419 1 1 29 TYR HA H -6.138 -0.914 2.680 1.00 . A A . 31 TYR HA 1 1 1 420 1 1 29 TYR HB2 H -4.536 0.961 1.022 1.00 . A A . 31 TYR HB2 1 1 1 421 1 1 29 TYR HB3 H -3.709 0.107 2.319 1.00 . A A . 31 TYR HB3 1 1 1 422 1 1 29 TYR HD1 H -4.651 -2.499 2.489 1.00 . A A . 31 TYR HD1 1 1 1 423 1 1 29 TYR HD2 H -4.390 -0.075 -1.048 1.00 . A A . 31 TYR HD2 1 1 1 424 1 1 29 TYR HE1 H -4.611 -4.546 1.088 1.00 . A A . 31 TYR HE1 1 1 1 425 1 1 29 TYR HE2 H -4.354 -2.121 -2.448 1.00 . A A . 31 TYR HE2 1 1 1 426 1 1 29 TYR HH H -5.287 -4.642 -2.037 1.00 . A A . 31 TYR HH 1 1 1 427 1 1 29 TYR N N -6.900 0.793 1.698 1.00 . A A . 31 TYR N 1 1 1 428 1 1 29 TYR O O -6.052 1.947 3.988 1.00 . A A . 31 TYR O 1 1 1 429 1 1 29 TYR OH O -4.462 -4.603 -1.549 1.00 . A A . 31 TYR OH 1 1 1 430 1 1 30 GLY C C -3.429 1.658 5.991 1.00 . A A . 32 GLY C 1 1 1 431 1 1 30 GLY CA C -4.715 0.839 6.040 1.00 . A A . 32 GLY CA 1 1 1 432 1 1 30 GLY H H -4.624 -0.711 4.551 1.00 . A A . 32 GLY H 1 1 1 433 1 1 30 GLY HA2 H -5.548 1.485 6.279 1.00 . A A . 32 GLY HA2 1 1 1 434 1 1 30 GLY HA3 H -4.622 0.078 6.800 1.00 . A A . 32 GLY HA3 1 1 1 435 1 1 30 GLY N N -4.955 0.194 4.722 1.00 . A A . 32 GLY N 1 1 1 436 1 1 30 GLY O O -3.237 2.570 6.771 1.00 . A A . 32 GLY O 1 1 1 437 1 1 31 ASN C C -0.358 1.554 3.931 1.00 . A A . 33 ASN C 1 1 1 438 1 1 31 ASN CA C -1.269 2.122 5.017 1.00 . A A . 33 ASN CA 1 1 1 439 1 1 31 ASN CB C -0.556 2.042 6.368 1.00 . A A . 33 ASN CB 1 1 1 440 1 1 31 ASN CG C -0.310 0.575 6.728 1.00 . A A . 33 ASN CG 1 1 1 441 1 1 31 ASN H H -2.705 0.606 4.465 1.00 . A A . 33 ASN H 1 1 1 442 1 1 31 ASN HA H -1.487 3.155 4.792 1.00 . A A . 33 ASN HA 1 1 1 443 1 1 31 ASN HB2 H 0.389 2.562 6.307 1.00 . A A . 33 ASN HB2 1 1 1 444 1 1 31 ASN HB3 H -1.170 2.498 7.129 1.00 . A A . 33 ASN HB3 1 1 1 445 1 1 31 ASN HD21 H 0.508 0.997 8.488 1.00 . A A . 33 ASN HD21 1 1 1 446 1 1 31 ASN HD22 H 0.411 -0.655 8.110 1.00 . A A . 33 ASN HD22 1 1 1 447 1 1 31 ASN N N -2.539 1.348 5.088 1.00 . A A . 33 ASN N 1 1 1 448 1 1 31 ASN ND2 N 0.250 0.282 7.870 1.00 . A A . 33 ASN ND2 1 1 1 449 1 1 31 ASN O O -0.637 0.532 3.334 1.00 . A A . 33 ASN O 1 1 1 450 1 1 31 ASN OD1 O -0.628 -0.313 5.962 1.00 . A A . 33 ASN OD1 1 1 1 451 1 1 32 LYS C C 2.247 0.372 3.044 1.00 . A A . 34 LYS C 1 1 1 452 1 1 32 LYS CA C 1.688 1.737 2.639 1.00 . A A . 34 LYS CA 1 1 1 453 1 1 32 LYS CB C 2.838 2.739 2.485 1.00 . A A . 34 LYS CB 1 1 1 454 1 1 32 LYS CD C 4.877 3.693 3.571 1.00 . A A . 34 LYS CD 1 1 1 455 1 1 32 LYS CE C 6.052 3.147 2.756 1.00 . A A . 34 LYS CE 1 1 1 456 1 1 32 LYS CG C 3.790 2.621 3.678 1.00 . A A . 34 LYS CG 1 1 1 457 1 1 32 LYS H H 0.932 3.032 4.176 1.00 . A A . 34 LYS H 1 1 1 458 1 1 32 LYS HA H 1.170 1.644 1.697 1.00 . A A . 34 LYS HA 1 1 1 459 1 1 32 LYS HB2 H 3.377 2.530 1.573 1.00 . A A . 34 LYS HB2 1 1 1 460 1 1 32 LYS HB3 H 2.438 3.740 2.445 1.00 . A A . 34 LYS HB3 1 1 1 461 1 1 32 LYS HD2 H 4.474 4.568 3.082 1.00 . A A . 34 LYS HD2 1 1 1 462 1 1 32 LYS HD3 H 5.220 3.958 4.559 1.00 . A A . 34 LYS HD3 1 1 1 463 1 1 32 LYS HE2 H 6.098 2.075 2.865 1.00 . A A . 34 LYS HE2 1 1 1 464 1 1 32 LYS HE3 H 5.916 3.400 1.715 1.00 . A A . 34 LYS HE3 1 1 1 465 1 1 32 LYS HG2 H 3.237 2.758 4.596 1.00 . A A . 34 LYS HG2 1 1 1 466 1 1 32 LYS HG3 H 4.249 1.644 3.676 1.00 . A A . 34 LYS HG3 1 1 1 467 1 1 32 LYS HZ1 H 7.113 4.620 3.778 1.00 . A A . 34 LYS HZ1 1 1 1 468 1 1 32 LYS HZ2 H 7.938 3.973 2.441 1.00 . A A . 34 LYS HZ2 1 1 1 469 1 1 32 LYS HZ3 H 7.806 3.076 3.878 1.00 . A A . 34 LYS HZ3 1 1 1 470 1 1 32 LYS N N 0.738 2.215 3.678 1.00 . A A . 34 LYS N 1 1 1 471 1 1 32 LYS NZ N 7.323 3.750 3.250 1.00 . A A . 34 LYS NZ 1 1 1 472 1 1 32 LYS O O 2.896 -0.293 2.267 1.00 . A A . 34 LYS O 1 1 1 473 1 1 33 CYS C C 1.621 -2.457 4.021 1.00 . A A . 35 CYS C 1 1 1 474 1 1 33 CYS CA C 2.504 -1.391 4.670 1.00 . A A . 35 CYS CA 1 1 1 475 1 1 33 CYS CB C 2.426 -1.509 6.191 1.00 . A A . 35 CYS CB 1 1 1 476 1 1 33 CYS H H 1.465 0.479 4.871 1.00 . A A . 35 CYS H 1 1 1 477 1 1 33 CYS HA H 3.525 -1.513 4.342 1.00 . A A . 35 CYS HA 1 1 1 478 1 1 33 CYS HB2 H 2.939 -0.673 6.643 1.00 . A A . 35 CYS HB2 1 1 1 479 1 1 33 CYS HB3 H 1.392 -1.508 6.497 1.00 . A A . 35 CYS HB3 1 1 1 480 1 1 33 CYS N N 1.996 -0.060 4.249 1.00 . A A . 35 CYS N 1 1 1 481 1 1 33 CYS O O 2.078 -3.513 3.629 1.00 . A A . 35 CYS O 1 1 1 482 1 1 33 CYS SG S 3.215 -3.054 6.715 1.00 . A A . 35 CYS SG 1 1 1 483 1 1 34 ASN C C -0.559 -2.926 1.746 1.00 . A A . 36 ASN C 1 1 1 484 1 1 34 ASN CA C -0.585 -3.130 3.263 1.00 . A A . 36 ASN CA 1 1 1 485 1 1 34 ASN CB C -1.992 -2.854 3.790 1.00 . A A . 36 ASN CB 1 1 1 486 1 1 34 ASN CG C -2.630 -4.162 4.259 1.00 . A A . 36 ASN CG 1 1 1 487 1 1 34 ASN H H 0.017 -1.305 4.209 1.00 . A A . 36 ASN H 1 1 1 488 1 1 34 ASN HA H -0.295 -4.140 3.505 1.00 . A A . 36 ASN HA 1 1 1 489 1 1 34 ASN HB2 H -1.940 -2.157 4.617 1.00 . A A . 36 ASN HB2 1 1 1 490 1 1 34 ASN HB3 H -2.589 -2.424 3.003 1.00 . A A . 36 ASN HB3 1 1 1 491 1 1 34 ASN HD21 H -1.693 -4.154 6.010 1.00 . A A . 36 ASN HD21 1 1 1 492 1 1 34 ASN HD22 H -2.729 -5.473 5.746 1.00 . A A . 36 ASN HD22 1 1 1 493 1 1 34 ASN N N 0.354 -2.167 3.894 1.00 . A A . 36 ASN N 1 1 1 494 1 1 34 ASN ND2 N -2.325 -4.636 5.436 1.00 . A A . 36 ASN ND2 1 1 1 495 1 1 34 ASN O O -1.057 -3.736 0.988 1.00 . A A . 36 ASN O 1 1 1 496 1 1 34 ASN OD1 O -3.412 -4.758 3.548 1.00 . A A . 36 ASN OD1 1 1 1 497 1 1 35 PHE C C 1.324 -2.216 -0.758 1.00 . A A . 37 PHE C 1 1 1 498 1 1 35 PHE CA C 0.078 -1.557 -0.159 1.00 . A A . 37 PHE CA 1 1 1 499 1 1 35 PHE CB C 0.148 -0.042 -0.368 1.00 . A A . 37 PHE CB 1 1 1 500 1 1 35 PHE CD1 C -1.302 -0.062 -2.431 1.00 . A A . 37 PHE CD1 1 1 1 501 1 1 35 PHE CD2 C 0.903 0.937 -2.565 1.00 . A A . 37 PHE CD2 1 1 1 502 1 1 35 PHE CE1 C -1.522 0.243 -3.777 1.00 . A A . 37 PHE CE1 1 1 1 503 1 1 35 PHE CE2 C 0.683 1.243 -3.913 1.00 . A A . 37 PHE CE2 1 1 1 504 1 1 35 PHE CG C -0.089 0.285 -1.823 1.00 . A A . 37 PHE CG 1 1 1 505 1 1 35 PHE CZ C -0.530 0.897 -4.520 1.00 . A A . 37 PHE CZ 1 1 1 506 1 1 35 PHE H H 0.403 -1.200 1.936 1.00 . A A . 37 PHE H 1 1 1 507 1 1 35 PHE HA H -0.805 -1.948 -0.642 1.00 . A A . 37 PHE HA 1 1 1 508 1 1 35 PHE HB2 H -0.609 0.438 0.234 1.00 . A A . 37 PHE HB2 1 1 1 509 1 1 35 PHE HB3 H 1.122 0.318 -0.072 1.00 . A A . 37 PHE HB3 1 1 1 510 1 1 35 PHE HD1 H -2.069 -0.565 -1.859 1.00 . A A . 37 PHE HD1 1 1 1 511 1 1 35 PHE HD2 H 1.840 1.206 -2.096 1.00 . A A . 37 PHE HD2 1 1 1 512 1 1 35 PHE HE1 H -2.458 -0.026 -4.245 1.00 . A A . 37 PHE HE1 1 1 1 513 1 1 35 PHE HE2 H 1.448 1.747 -4.485 1.00 . A A . 37 PHE HE2 1 1 1 514 1 1 35 PHE HZ H -0.701 1.131 -5.560 1.00 . A A . 37 PHE HZ 1 1 1 515 1 1 35 PHE N N 0.015 -1.839 1.302 1.00 . A A . 37 PHE N 1 1 1 516 1 1 35 PHE O O 1.261 -2.877 -1.776 1.00 . A A . 37 PHE O 1 1 1 517 1 1 36 CYS C C 3.628 -4.176 -0.468 1.00 . A A . 38 CYS C 1 1 1 518 1 1 36 CYS CA C 3.705 -2.662 -0.657 1.00 . A A . 38 CYS CA 1 1 1 519 1 1 36 CYS CB C 4.910 -2.116 0.114 1.00 . A A . 38 CYS CB 1 1 1 520 1 1 36 CYS H H 2.482 -1.515 0.687 1.00 . A A . 38 CYS H 1 1 1 521 1 1 36 CYS HA H 3.808 -2.433 -1.705 1.00 . A A . 38 CYS HA 1 1 1 522 1 1 36 CYS HB2 H 4.694 -2.135 1.170 1.00 . A A . 38 CYS HB2 1 1 1 523 1 1 36 CYS HB3 H 5.772 -2.732 -0.084 1.00 . A A . 38 CYS HB3 1 1 1 524 1 1 36 CYS N N 2.455 -2.045 -0.130 1.00 . A A . 38 CYS N 1 1 1 525 1 1 36 CYS O O 4.154 -4.938 -1.255 1.00 . A A . 38 CYS O 1 1 1 526 1 1 36 CYS SG S 5.253 -0.409 -0.396 1.00 . A A . 38 CYS SG 1 1 1 527 1 1 37 ASN C C 1.816 -6.648 -0.160 1.00 . A A . 39 ASN C 1 1 1 528 1 1 37 ASN CA C 2.852 -6.083 0.801 1.00 . A A . 39 ASN CA 1 1 1 529 1 1 37 ASN CB C 2.412 -6.347 2.242 1.00 . A A . 39 ASN CB 1 1 1 530 1 1 37 ASN CG C 3.489 -7.165 2.959 1.00 . A A . 39 ASN CG 1 1 1 531 1 1 37 ASN H H 2.546 -3.986 1.188 1.00 . A A . 39 ASN H 1 1 1 532 1 1 37 ASN HA H 3.804 -6.554 0.616 1.00 . A A . 39 ASN HA 1 1 1 533 1 1 37 ASN HB2 H 2.270 -5.406 2.751 1.00 . A A . 39 ASN HB2 1 1 1 534 1 1 37 ASN HB3 H 1.485 -6.899 2.240 1.00 . A A . 39 ASN HB3 1 1 1 535 1 1 37 ASN HD21 H 3.124 -8.815 1.917 1.00 . A A . 39 ASN HD21 1 1 1 536 1 1 37 ASN HD22 H 4.360 -8.946 3.073 1.00 . A A . 39 ASN HD22 1 1 1 537 1 1 37 ASN N N 2.969 -4.619 0.569 1.00 . A A . 39 ASN N 1 1 1 538 1 1 37 ASN ND2 N 3.672 -8.413 2.621 1.00 . A A . 39 ASN ND2 1 1 1 539 1 1 37 ASN O O 2.051 -7.628 -0.833 1.00 . A A . 39 ASN O 1 1 1 540 1 1 37 ASN OD1 O 4.168 -6.664 3.833 1.00 . A A . 39 ASN OD1 1 1 1 541 1 1 38 ALA C C 0.254 -6.461 -2.600 1.00 . A A . 40 ALA C 1 1 1 542 1 1 38 ALA CA C -0.350 -6.503 -1.199 1.00 . A A . 40 ALA CA 1 1 1 543 1 1 38 ALA CB C -1.584 -5.598 -1.136 1.00 . A A . 40 ALA CB 1 1 1 544 1 1 38 ALA H H 0.527 -5.214 0.285 1.00 . A A . 40 ALA H 1 1 1 545 1 1 38 ALA HA H -0.624 -7.519 -0.951 1.00 . A A . 40 ALA HA 1 1 1 546 1 1 38 ALA HB1 H -2.421 -6.097 -1.602 1.00 . A A . 40 ALA HB1 1 1 1 547 1 1 38 ALA HB2 H -1.378 -4.674 -1.655 1.00 . A A . 40 ALA HB2 1 1 1 548 1 1 38 ALA HB3 H -1.820 -5.387 -0.103 1.00 . A A . 40 ALA HB3 1 1 1 549 1 1 38 ALA N N 0.684 -6.017 -0.251 1.00 . A A . 40 ALA N 1 1 1 550 1 1 38 ALA O O -0.214 -7.101 -3.520 1.00 . A A . 40 ALA O 1 1 1 551 1 1 39 VAL C C 2.997 -6.752 -4.206 1.00 . A A . 41 VAL C 1 1 1 552 1 1 39 VAL CA C 1.982 -5.612 -4.079 1.00 . A A . 41 VAL CA 1 1 1 553 1 1 39 VAL CB C 2.701 -4.264 -4.181 1.00 . A A . 41 VAL CB 1 1 1 554 1 1 39 VAL CG1 C 3.721 -4.297 -5.321 1.00 . A A . 41 VAL CG1 1 1 1 555 1 1 39 VAL CG2 C 1.675 -3.160 -4.451 1.00 . A A . 41 VAL CG2 1 1 1 556 1 1 39 VAL H H 1.671 -5.209 -1.993 1.00 . A A . 41 VAL H 1 1 1 557 1 1 39 VAL HA H 1.248 -5.694 -4.864 1.00 . A A . 41 VAL HA 1 1 1 558 1 1 39 VAL HB H 3.212 -4.060 -3.250 1.00 . A A . 41 VAL HB 1 1 1 559 1 1 39 VAL HG11 H 4.174 -3.322 -5.428 1.00 . A A . 41 VAL HG11 1 1 1 560 1 1 39 VAL HG12 H 3.224 -4.565 -6.242 1.00 . A A . 41 VAL HG12 1 1 1 561 1 1 39 VAL HG13 H 4.486 -5.027 -5.100 1.00 . A A . 41 VAL HG13 1 1 1 562 1 1 39 VAL HG21 H 1.937 -2.279 -3.884 1.00 . A A . 41 VAL HG21 1 1 1 563 1 1 39 VAL HG22 H 0.694 -3.501 -4.154 1.00 . A A . 41 VAL HG22 1 1 1 564 1 1 39 VAL HG23 H 1.671 -2.922 -5.505 1.00 . A A . 41 VAL HG23 1 1 1 565 1 1 39 VAL N N 1.312 -5.709 -2.756 1.00 . A A . 41 VAL N 1 1 1 566 1 1 39 VAL O O 3.213 -7.285 -5.277 1.00 . A A . 41 VAL O 1 1 1 567 1 1 40 VAL C C 3.895 -9.581 -3.191 1.00 . A A . 42 VAL C 1 1 1 568 1 1 40 VAL CA C 4.623 -8.234 -3.185 1.00 . A A . 42 VAL CA 1 1 1 569 1 1 40 VAL CB C 5.554 -8.164 -1.974 1.00 . A A . 42 VAL CB 1 1 1 570 1 1 40 VAL CG1 C 6.412 -9.430 -1.923 1.00 . A A . 42 VAL CG1 1 1 1 571 1 1 40 VAL CG2 C 6.463 -6.940 -2.100 1.00 . A A . 42 VAL CG2 1 1 1 572 1 1 40 VAL H H 3.434 -6.685 -2.262 1.00 . A A . 42 VAL H 1 1 1 573 1 1 40 VAL HA H 5.203 -8.137 -4.090 1.00 . A A . 42 VAL HA 1 1 1 574 1 1 40 VAL HB H 4.966 -8.090 -1.070 1.00 . A A . 42 VAL HB 1 1 1 575 1 1 40 VAL HG11 H 7.330 -9.221 -1.392 1.00 . A A . 42 VAL HG11 1 1 1 576 1 1 40 VAL HG12 H 6.644 -9.749 -2.929 1.00 . A A . 42 VAL HG12 1 1 1 577 1 1 40 VAL HG13 H 5.871 -10.213 -1.412 1.00 . A A . 42 VAL HG13 1 1 1 578 1 1 40 VAL HG21 H 5.860 -6.061 -2.273 1.00 . A A . 42 VAL HG21 1 1 1 579 1 1 40 VAL HG22 H 7.141 -7.080 -2.930 1.00 . A A . 42 VAL HG22 1 1 1 580 1 1 40 VAL HG23 H 7.028 -6.816 -1.189 1.00 . A A . 42 VAL HG23 1 1 1 581 1 1 40 VAL N N 3.623 -7.129 -3.119 1.00 . A A . 42 VAL N 1 1 1 582 1 1 40 VAL O O 4.463 -10.600 -3.530 1.00 . A A . 42 VAL O 1 1 1 583 1 1 41 GLU C C 1.192 -11.053 -4.165 1.00 . A A . 43 GLU C 1 1 1 584 1 1 41 GLU CA C 1.883 -10.877 -2.811 1.00 . A A . 43 GLU CA 1 1 1 585 1 1 41 GLU CB C 0.834 -10.846 -1.691 1.00 . A A . 43 GLU CB 1 1 1 586 1 1 41 GLU CD C -1.442 -10.037 -1.042 1.00 . A A . 43 GLU CD 1 1 1 587 1 1 41 GLU CG C -0.345 -9.962 -2.106 1.00 . A A . 43 GLU CG 1 1 1 588 1 1 41 GLU H H 2.201 -8.764 -2.556 1.00 . A A . 43 GLU H 1 1 1 589 1 1 41 GLU HA H 2.564 -11.697 -2.645 1.00 . A A . 43 GLU HA 1 1 1 590 1 1 41 GLU HB2 H 0.483 -11.850 -1.500 1.00 . A A . 43 GLU HB2 1 1 1 591 1 1 41 GLU HB3 H 1.282 -10.445 -0.794 1.00 . A A . 43 GLU HB3 1 1 1 592 1 1 41 GLU HG2 H -0.011 -8.941 -2.209 1.00 . A A . 43 GLU HG2 1 1 1 593 1 1 41 GLU HG3 H -0.741 -10.310 -3.049 1.00 . A A . 43 GLU HG3 1 1 1 594 1 1 41 GLU N N 2.643 -9.595 -2.821 1.00 . A A . 43 GLU N 1 1 1 595 1 1 41 GLU O O 1.153 -12.133 -4.718 1.00 . A A . 43 GLU O 1 1 1 596 1 1 41 GLU OE1 O -1.145 -10.479 0.055 1.00 . A A . 43 GLU OE1 1 1 1 597 1 1 41 GLU OE2 O -2.560 -9.652 -1.344 1.00 . A A . 43 GLU OE2 1 1 1 598 1 1 42 SER C C 1.033 -10.191 -7.125 1.00 . A A . 44 SER C 1 1 1 599 1 1 42 SER CA C -0.024 -10.088 -6.024 1.00 . A A . 44 SER CA 1 1 1 600 1 1 42 SER CB C -0.876 -8.839 -6.247 1.00 . A A . 44 SER CB 1 1 1 601 1 1 42 SER H H 0.705 -9.131 -4.241 1.00 . A A . 44 SER H 1 1 1 602 1 1 42 SER HA H -0.654 -10.966 -6.046 1.00 . A A . 44 SER HA 1 1 1 603 1 1 42 SER HB2 H -0.540 -8.050 -5.596 1.00 . A A . 44 SER HB2 1 1 1 604 1 1 42 SER HB3 H -0.782 -8.518 -7.276 1.00 . A A . 44 SER HB3 1 1 1 605 1 1 42 SER HG H -2.482 -8.646 -5.166 1.00 . A A . 44 SER HG 1 1 1 606 1 1 42 SER N N 0.655 -9.994 -4.703 1.00 . A A . 44 SER N 1 1 1 607 1 1 42 SER O O 0.730 -10.442 -8.273 1.00 . A A . 44 SER O 1 1 1 608 1 1 42 SER OG O -2.235 -9.137 -5.952 1.00 . A A . 44 SER OG 1 1 1 609 1 1 43 ASN C C 3.275 -8.886 -8.742 1.00 . A A . 45 ASN C 1 1 1 610 1 1 43 ASN CA C 3.352 -10.091 -7.802 1.00 . A A . 45 ASN CA 1 1 1 611 1 1 43 ASN CB C 3.186 -11.383 -8.604 1.00 . A A . 45 ASN CB 1 1 1 612 1 1 43 ASN CG C 4.553 -12.044 -8.788 1.00 . A A . 45 ASN CG 1 1 1 613 1 1 43 ASN H H 2.503 -9.803 -5.848 1.00 . A A . 45 ASN H 1 1 1 614 1 1 43 ASN HA H 4.314 -10.099 -7.309 1.00 . A A . 45 ASN HA 1 1 1 615 1 1 43 ASN HB2 H 2.527 -12.056 -8.070 1.00 . A A . 45 ASN HB2 1 1 1 616 1 1 43 ASN HB3 H 2.765 -11.158 -9.572 1.00 . A A . 45 ASN HB3 1 1 1 617 1 1 43 ASN HD21 H 3.896 -13.360 -10.120 1.00 . A A . 45 ASN HD21 1 1 1 618 1 1 43 ASN HD22 H 5.546 -13.470 -9.744 1.00 . A A . 45 ASN HD22 1 1 1 619 1 1 43 ASN N N 2.276 -10.002 -6.780 1.00 . A A . 45 ASN N 1 1 1 620 1 1 43 ASN ND2 N 4.675 -13.040 -9.620 1.00 . A A . 45 ASN ND2 1 1 1 621 1 1 43 ASN O O 3.859 -8.884 -9.808 1.00 . A A . 45 ASN O 1 1 1 622 1 1 43 ASN OD1 O 5.519 -11.650 -8.166 1.00 . A A . 45 ASN OD1 1 1 1 623 1 1 44 GLY C C 1.055 -6.474 -9.764 1.00 . A A . 46 GLY C 1 1 1 624 1 1 44 GLY CA C 2.481 -6.650 -9.230 1.00 . A A . 46 GLY CA 1 1 1 625 1 1 44 GLY H H 2.117 -7.868 -7.486 1.00 . A A . 46 GLY H 1 1 1 626 1 1 44 GLY HA2 H 2.760 -5.775 -8.661 1.00 . A A . 46 GLY HA2 1 1 1 627 1 1 44 GLY HA3 H 3.158 -6.764 -10.063 1.00 . A A . 46 GLY HA3 1 1 1 628 1 1 44 GLY N N 2.571 -7.855 -8.355 1.00 . A A . 46 GLY N 1 1 1 629 1 1 44 GLY O O 0.799 -5.608 -10.578 1.00 . A A . 46 GLY O 1 1 1 630 1 1 45 THR C C -2.007 -6.050 -9.027 1.00 . A A . 47 THR C 1 1 1 631 1 1 45 THR CA C -1.275 -7.127 -9.831 1.00 . A A . 47 THR CA 1 1 1 632 1 1 45 THR CB C -2.025 -8.456 -9.698 1.00 . A A . 47 THR CB 1 1 1 633 1 1 45 THR CG2 C -2.472 -8.930 -11.081 1.00 . A A . 47 THR CG2 1 1 1 634 1 1 45 THR H H 0.339 -7.974 -8.670 1.00 . A A . 47 THR H 1 1 1 635 1 1 45 THR HA H -1.247 -6.836 -10.871 1.00 . A A . 47 THR HA 1 1 1 636 1 1 45 THR HB H -2.893 -8.319 -9.072 1.00 . A A . 47 THR HB 1 1 1 637 1 1 45 THR HG1 H -0.750 -9.915 -9.829 1.00 . A A . 47 THR HG1 1 1 1 638 1 1 45 THR HG21 H -2.401 -8.111 -11.782 1.00 . A A . 47 THR HG21 1 1 1 639 1 1 45 THR HG22 H -3.494 -9.272 -11.030 1.00 . A A . 47 THR HG22 1 1 1 640 1 1 45 THR HG23 H -1.835 -9.739 -11.406 1.00 . A A . 47 THR HG23 1 1 1 641 1 1 45 THR N N 0.122 -7.277 -9.325 1.00 . A A . 47 THR N 1 1 1 642 1 1 45 THR O O -3.212 -5.919 -9.100 1.00 . A A . 47 THR O 1 1 1 643 1 1 45 THR OG1 O -1.169 -9.426 -9.117 1.00 . A A . 47 THR OG1 1 1 1 644 1 1 46 LEU C C -1.302 -2.860 -7.782 1.00 . A A . 48 LEU C 1 1 1 645 1 1 46 LEU CA C -1.949 -4.203 -7.459 1.00 . A A . 48 LEU CA 1 1 1 646 1 1 46 LEU CB C -1.785 -4.504 -5.969 1.00 . A A . 48 LEU CB 1 1 1 647 1 1 46 LEU CD1 C -4.038 -3.575 -5.438 1.00 . A A . 48 LEU CD1 1 1 1 648 1 1 46 LEU CD2 C -2.276 -3.672 -3.668 1.00 . A A . 48 LEU CD2 1 1 1 649 1 1 46 LEU CG C -2.539 -3.452 -5.159 1.00 . A A . 48 LEU CG 1 1 1 650 1 1 46 LEU H H -0.318 -5.391 -8.216 1.00 . A A . 48 LEU H 1 1 1 651 1 1 46 LEU HA H -3.001 -4.157 -7.705 1.00 . A A . 48 LEU HA 1 1 1 652 1 1 46 LEU HB2 H -2.188 -5.484 -5.753 1.00 . A A . 48 LEU HB2 1 1 1 653 1 1 46 LEU HB3 H -0.739 -4.478 -5.706 1.00 . A A . 48 LEU HB3 1 1 1 654 1 1 46 LEU HD11 H -4.579 -3.588 -4.503 1.00 . A A . 48 LEU HD11 1 1 1 655 1 1 46 LEU HD12 H -4.230 -4.491 -5.977 1.00 . A A . 48 LEU HD12 1 1 1 656 1 1 46 LEU HD13 H -4.364 -2.732 -6.031 1.00 . A A . 48 LEU HD13 1 1 1 657 1 1 46 LEU HD21 H -3.110 -4.198 -3.228 1.00 . A A . 48 LEU HD21 1 1 1 658 1 1 46 LEU HD22 H -2.156 -2.717 -3.180 1.00 . A A . 48 LEU HD22 1 1 1 659 1 1 46 LEU HD23 H -1.376 -4.255 -3.544 1.00 . A A . 48 LEU HD23 1 1 1 660 1 1 46 LEU HG H -2.200 -2.467 -5.446 1.00 . A A . 48 LEU HG 1 1 1 661 1 1 46 LEU N N -1.290 -5.273 -8.262 1.00 . A A . 48 LEU N 1 1 1 662 1 1 46 LEU O O -0.095 -2.725 -7.799 1.00 . A A . 48 LEU O 1 1 1 663 1 1 47 THR C C -2.046 0.501 -7.365 1.00 . A A . 49 THR C 1 1 1 664 1 1 47 THR CA C -1.544 -0.530 -8.378 1.00 . A A . 49 THR CA 1 1 1 665 1 1 47 THR CB C -1.988 -0.144 -9.784 1.00 . A A . 49 THR CB 1 1 1 666 1 1 47 THR CG2 C -0.889 -0.503 -10.785 1.00 . A A . 49 THR CG2 1 1 1 667 1 1 47 THR H H -3.071 -2.002 -8.031 1.00 . A A . 49 THR H 1 1 1 668 1 1 47 THR HA H -0.469 -0.564 -8.348 1.00 . A A . 49 THR HA 1 1 1 669 1 1 47 THR HB H -2.167 0.912 -9.819 1.00 . A A . 49 THR HB 1 1 1 670 1 1 47 THR HG1 H -3.433 -0.602 -11.005 1.00 . A A . 49 THR HG1 1 1 1 671 1 1 47 THR HG21 H -0.492 -1.480 -10.550 1.00 . A A . 49 THR HG21 1 1 1 672 1 1 47 THR HG22 H -0.098 0.230 -10.727 1.00 . A A . 49 THR HG22 1 1 1 673 1 1 47 THR HG23 H -1.299 -0.511 -11.782 1.00 . A A . 49 THR HG23 1 1 1 674 1 1 47 THR N N -2.099 -1.867 -8.047 1.00 . A A . 49 THR N 1 1 1 675 1 1 47 THR O O -2.556 0.160 -6.318 1.00 . A A . 49 THR O 1 1 1 676 1 1 47 THR OG1 O -3.179 -0.846 -10.111 1.00 . A A . 49 THR OG1 1 1 1 677 1 1 48 LEU C C -3.361 3.715 -7.493 1.00 . A A . 50 LEU C 1 1 1 678 1 1 48 LEU CA C -2.366 2.825 -6.746 1.00 . A A . 50 LEU CA 1 1 1 679 1 1 48 LEU CB C -1.162 3.661 -6.299 1.00 . A A . 50 LEU CB 1 1 1 680 1 1 48 LEU CD1 C -1.280 4.507 -3.951 1.00 . A A . 50 LEU CD1 1 1 1 681 1 1 48 LEU CD2 C -0.932 6.103 -5.844 1.00 . A A . 50 LEU CD2 1 1 1 682 1 1 48 LEU CG C -1.631 4.813 -5.409 1.00 . A A . 50 LEU CG 1 1 1 683 1 1 48 LEU H H -1.490 2.004 -8.521 1.00 . A A . 50 LEU H 1 1 1 684 1 1 48 LEU HA H -2.844 2.383 -5.879 1.00 . A A . 50 LEU HA 1 1 1 685 1 1 48 LEU HB2 H -0.478 3.035 -5.745 1.00 . A A . 50 LEU HB2 1 1 1 686 1 1 48 LEU HB3 H -0.660 4.062 -7.167 1.00 . A A . 50 LEU HB3 1 1 1 687 1 1 48 LEU HD11 H -0.231 4.258 -3.879 1.00 . A A . 50 LEU HD11 1 1 1 688 1 1 48 LEU HD12 H -1.871 3.673 -3.604 1.00 . A A . 50 LEU HD12 1 1 1 689 1 1 48 LEU HD13 H -1.485 5.374 -3.340 1.00 . A A . 50 LEU HD13 1 1 1 690 1 1 48 LEU HD21 H -1.224 6.909 -5.187 1.00 . A A . 50 LEU HD21 1 1 1 691 1 1 48 LEU HD22 H -1.219 6.343 -6.858 1.00 . A A . 50 LEU HD22 1 1 1 692 1 1 48 LEU HD23 H 0.138 5.967 -5.796 1.00 . A A . 50 LEU HD23 1 1 1 693 1 1 48 LEU HG H -2.701 4.930 -5.505 1.00 . A A . 50 LEU HG 1 1 1 694 1 1 48 LEU N N -1.903 1.758 -7.674 1.00 . A A . 50 LEU N 1 1 1 695 1 1 48 LEU O O -3.253 3.918 -8.685 1.00 . A A . 50 LEU O 1 1 1 696 1 1 49 SER C C -5.190 6.529 -6.906 1.00 . A A . 51 SER C 1 1 1 697 1 1 49 SER CA C -5.325 5.122 -7.476 1.00 . A A . 51 SER CA 1 1 1 698 1 1 49 SER CB C -6.741 4.590 -7.223 1.00 . A A . 51 SER CB 1 1 1 699 1 1 49 SER H H -4.391 4.076 -5.846 1.00 . A A . 51 SER H 1 1 1 700 1 1 49 SER HA H -5.131 5.144 -8.539 1.00 . A A . 51 SER HA 1 1 1 701 1 1 49 SER HB2 H -7.141 4.178 -8.132 1.00 . A A . 51 SER HB2 1 1 1 702 1 1 49 SER HB3 H -6.702 3.815 -6.469 1.00 . A A . 51 SER HB3 1 1 1 703 1 1 49 SER HG H -7.247 5.965 -5.939 1.00 . A A . 51 SER HG 1 1 1 704 1 1 49 SER N N -4.327 4.246 -6.805 1.00 . A A . 51 SER N 1 1 1 705 1 1 49 SER O O -5.315 7.514 -7.609 1.00 . A A . 51 SER O 1 1 1 706 1 1 49 SER OG O -7.579 5.652 -6.783 1.00 . A A . 51 SER OG 1 1 1 707 1 1 50 HIS C C -4.481 7.773 -3.518 1.00 . A A . 52 HIS C 1 1 1 708 1 1 50 HIS CA C -4.762 7.963 -5.012 1.00 . A A . 52 HIS CA 1 1 1 709 1 1 50 HIS CB C -6.032 8.808 -5.257 1.00 . A A . 52 HIS CB 1 1 1 710 1 1 50 HIS CD2 C -7.149 9.548 -2.993 1.00 . A A . 52 HIS CD2 1 1 1 711 1 1 50 HIS CE1 C -8.599 7.949 -2.818 1.00 . A A . 52 HIS CE1 1 1 1 712 1 1 50 HIS CG C -6.979 8.735 -4.087 1.00 . A A . 52 HIS CG 1 1 1 713 1 1 50 HIS H H -4.817 5.816 -5.093 1.00 . A A . 52 HIS H 1 1 1 714 1 1 50 HIS HA H -3.915 8.457 -5.465 1.00 . A A . 52 HIS HA 1 1 1 715 1 1 50 HIS HB2 H -5.746 9.837 -5.412 1.00 . A A . 52 HIS HB2 1 1 1 716 1 1 50 HIS HB3 H -6.532 8.445 -6.142 1.00 . A A . 52 HIS HB3 1 1 1 717 1 1 50 HIS HD1 H -8.051 6.974 -4.574 1.00 . A A . 52 HIS HD1 1 1 1 718 1 1 50 HIS HD2 H -6.574 10.438 -2.786 1.00 . A A . 52 HIS HD2 1 1 1 719 1 1 50 HIS HE1 H -9.400 7.320 -2.458 1.00 . A A . 52 HIS HE1 1 1 1 720 1 1 50 HIS N N -4.923 6.627 -5.637 1.00 . A A . 52 HIS N 1 1 1 721 1 1 50 HIS ND1 N -7.914 7.721 -3.954 1.00 . A A . 52 HIS ND1 1 1 1 722 1 1 50 HIS NE2 N -8.173 9.049 -2.194 1.00 . A A . 52 HIS NE2 1 1 1 723 1 1 50 HIS O O -5.339 7.382 -2.753 1.00 . A A . 52 HIS O 1 1 1 724 1 1 51 PHE C C -4.023 8.438 -0.798 1.00 . A A . 53 PHE C 1 1 1 725 1 1 51 PHE CA C -2.910 7.859 -1.676 1.00 . A A . 53 PHE CA 1 1 1 726 1 1 51 PHE CB C -1.596 8.594 -1.401 1.00 . A A . 53 PHE CB 1 1 1 727 1 1 51 PHE CD1 C 0.021 7.104 -2.641 1.00 . A A . 53 PHE CD1 1 1 1 728 1 1 51 PHE CD2 C 0.147 7.203 -0.220 1.00 . A A . 53 PHE CD2 1 1 1 729 1 1 51 PHE CE1 C 1.085 6.193 -2.658 1.00 . A A . 53 PHE CE1 1 1 1 730 1 1 51 PHE CE2 C 1.210 6.292 -0.239 1.00 . A A . 53 PHE CE2 1 1 1 731 1 1 51 PHE CG C -0.449 7.609 -1.420 1.00 . A A . 53 PHE CG 1 1 1 732 1 1 51 PHE CZ C 1.678 5.789 -1.458 1.00 . A A . 53 PHE CZ 1 1 1 733 1 1 51 PHE H H -2.596 8.321 -3.753 1.00 . A A . 53 PHE H 1 1 1 734 1 1 51 PHE HA H -2.787 6.808 -1.458 1.00 . A A . 53 PHE HA 1 1 1 735 1 1 51 PHE HB2 H -1.440 9.345 -2.160 1.00 . A A . 53 PHE HB2 1 1 1 736 1 1 51 PHE HB3 H -1.647 9.067 -0.433 1.00 . A A . 53 PHE HB3 1 1 1 737 1 1 51 PHE HD1 H -0.437 7.416 -3.568 1.00 . A A . 53 PHE HD1 1 1 1 738 1 1 51 PHE HD2 H -0.214 7.593 0.721 1.00 . A A . 53 PHE HD2 1 1 1 739 1 1 51 PHE HE1 H 1.446 5.803 -3.598 1.00 . A A . 53 PHE HE1 1 1 1 740 1 1 51 PHE HE2 H 1.669 5.979 0.686 1.00 . A A . 53 PHE HE2 1 1 1 741 1 1 51 PHE HZ H 2.498 5.086 -1.472 1.00 . A A . 53 PHE HZ 1 1 1 742 1 1 51 PHE N N -3.272 8.029 -3.110 1.00 . A A . 53 PHE N 1 1 1 743 1 1 51 PHE O O -4.039 9.613 -0.489 1.00 . A A . 53 PHE O 1 1 1 744 1 1 52 GLY C C -7.178 7.039 0.472 1.00 . A A . 54 GLY C 1 1 1 745 1 1 52 GLY CA C -6.082 8.104 0.444 1.00 . A A . 54 GLY CA 1 1 1 746 1 1 52 GLY H H -4.926 6.678 -0.674 1.00 . A A . 54 GLY H 1 1 1 747 1 1 52 GLY HA2 H -5.725 8.287 1.448 1.00 . A A . 54 GLY HA2 1 1 1 748 1 1 52 GLY HA3 H -6.481 9.016 0.030 1.00 . A A . 54 GLY HA3 1 1 1 749 1 1 52 GLY N N -4.958 7.617 -0.405 1.00 . A A . 54 GLY N 1 1 1 750 1 1 52 GLY O O -7.074 6.013 -0.172 1.00 . A A . 54 GLY O 1 1 1 751 1 1 53 LYS C C -10.356 6.545 0.183 1.00 . A A . 55 LYS C 1 1 1 752 1 1 53 LYS CA C -9.321 6.254 1.272 1.00 . A A . 55 LYS CA 1 1 1 753 1 1 53 LYS CB C -9.994 6.308 2.646 1.00 . A A . 55 LYS CB 1 1 1 754 1 1 53 LYS CD C -12.025 5.647 3.945 1.00 . A A . 55 LYS CD 1 1 1 755 1 1 53 LYS CE C -13.038 4.516 4.122 1.00 . A A . 55 LYS CE 1 1 1 756 1 1 53 LYS CG C -11.267 5.458 2.630 1.00 . A A . 55 LYS CG 1 1 1 757 1 1 53 LYS H H -8.296 8.095 1.727 1.00 . A A . 55 LYS H 1 1 1 758 1 1 53 LYS HA H -8.906 5.266 1.113 1.00 . A A . 55 LYS HA 1 1 1 759 1 1 53 LYS HB2 H -9.314 5.924 3.393 1.00 . A A . 55 LYS HB2 1 1 1 760 1 1 53 LYS HB3 H -10.250 7.331 2.882 1.00 . A A . 55 LYS HB3 1 1 1 761 1 1 53 LYS HD2 H -11.325 5.634 4.768 1.00 . A A . 55 LYS HD2 1 1 1 762 1 1 53 LYS HD3 H -12.544 6.595 3.929 1.00 . A A . 55 LYS HD3 1 1 1 763 1 1 53 LYS HE2 H -13.971 4.791 3.650 1.00 . A A . 55 LYS HE2 1 1 1 764 1 1 53 LYS HE3 H -12.656 3.614 3.666 1.00 . A A . 55 LYS HE3 1 1 1 765 1 1 53 LYS HG2 H -11.893 5.764 1.803 1.00 . A A . 55 LYS HG2 1 1 1 766 1 1 53 LYS HG3 H -11.002 4.419 2.515 1.00 . A A . 55 LYS HG3 1 1 1 767 1 1 53 LYS HZ1 H -13.628 3.318 5.717 1.00 . A A . 55 LYS HZ1 1 1 1 768 1 1 53 LYS HZ2 H -13.959 4.970 5.932 1.00 . A A . 55 LYS HZ2 1 1 1 769 1 1 53 LYS HZ3 H -12.370 4.392 6.088 1.00 . A A . 55 LYS HZ3 1 1 1 770 1 1 53 LYS N N -8.228 7.265 1.211 1.00 . A A . 55 LYS N 1 1 1 771 1 1 53 LYS NZ N -13.266 4.280 5.574 1.00 . A A . 55 LYS NZ 1 1 1 772 1 1 53 LYS O O -10.740 7.677 -0.039 1.00 . A A . 55 LYS O 1 1 1 773 1 1 54 CYS C C -13.227 5.594 -0.976 1.00 . A A . 56 CYS C 1 1 1 774 1 1 54 CYS CA C -11.824 5.740 -1.568 1.00 . A A . 56 CYS CA 1 1 1 775 1 1 54 CYS CB C -11.621 4.696 -2.669 1.00 . A A . 56 CYS CB 1 1 1 776 1 1 54 CYS H H -10.490 4.624 -0.296 1.00 . A A . 56 CYS H 1 1 1 777 1 1 54 CYS HA H -11.707 6.728 -1.983 1.00 . A A . 56 CYS HA 1 1 1 778 1 1 54 CYS HB2 H -11.116 3.833 -2.259 1.00 . A A . 56 CYS HB2 1 1 1 779 1 1 54 CYS HB3 H -12.580 4.397 -3.064 1.00 . A A . 56 CYS HB3 1 1 1 780 1 1 54 CYS N N -10.812 5.527 -0.494 1.00 . A A . 56 CYS N 1 1 1 781 1 1 54 CYS O O -13.914 6.597 -0.879 1.00 . A A . 56 CYS O 1 1 1 782 1 1 54 CYS OXT O -13.591 4.483 -0.627 1.00 . A A . 56 CYS OXT 1 1 1 783 1 1 54 CYS SG S -10.617 5.407 -3.996 1.00 . A A . 56 CYS SG 1 1 2 784 1 1 1 ALA C C 5.589 6.620 -10.909 1.00 . A A . 3 ALA C 1 1 2 785 1 1 1 ALA CA C 6.980 5.991 -11.003 1.00 . A A . 3 ALA CA 1 1 2 786 1 1 1 ALA CB C 7.670 6.083 -9.642 1.00 . A A . 3 ALA CB 1 1 2 787 1 1 1 ALA H1 H 7.236 6.839 -12.887 1.00 . A A . 3 ALA H1 1 1 2 788 1 1 1 ALA H2 H 8.655 6.177 -12.226 1.00 . A A . 3 ALA H2 1 1 2 789 1 1 1 ALA H3 H 8.053 7.656 -11.645 1.00 . A A . 3 ALA H3 1 1 2 790 1 1 1 ALA HA H 6.890 4.955 -11.291 1.00 . A A . 3 ALA HA 1 1 2 791 1 1 1 ALA HB1 H 8.730 6.234 -9.784 1.00 . A A . 3 ALA HB1 1 1 2 792 1 1 1 ALA HB2 H 7.507 5.168 -9.092 1.00 . A A . 3 ALA HB2 1 1 2 793 1 1 1 ALA HB3 H 7.260 6.915 -9.087 1.00 . A A . 3 ALA HB3 1 1 2 794 1 1 1 ALA N N 7.792 6.721 -12.018 1.00 . A A . 3 ALA N 1 1 2 795 1 1 1 ALA O O 5.346 7.691 -11.428 1.00 . A A . 3 ALA O 1 1 2 796 1 1 2 VAL C C 3.243 7.407 -8.858 1.00 . A A . 4 VAL C 1 1 2 797 1 1 2 VAL CA C 3.304 6.525 -10.108 1.00 . A A . 4 VAL CA 1 1 2 798 1 1 2 VAL CB C 2.299 5.378 -9.972 1.00 . A A . 4 VAL CB 1 1 2 799 1 1 2 VAL CG1 C 2.571 4.610 -8.678 1.00 . A A . 4 VAL CG1 1 1 2 800 1 1 2 VAL CG2 C 0.878 5.945 -9.937 1.00 . A A . 4 VAL CG2 1 1 2 801 1 1 2 VAL H H 4.899 5.105 -9.828 1.00 . A A . 4 VAL H 1 1 2 802 1 1 2 VAL HA H 3.066 7.115 -10.979 1.00 . A A . 4 VAL HA 1 1 2 803 1 1 2 VAL HB H 2.402 4.709 -10.814 1.00 . A A . 4 VAL HB 1 1 2 804 1 1 2 VAL HG11 H 3.587 4.791 -8.358 1.00 . A A . 4 VAL HG11 1 1 2 805 1 1 2 VAL HG12 H 2.430 3.554 -8.851 1.00 . A A . 4 VAL HG12 1 1 2 806 1 1 2 VAL HG13 H 1.888 4.944 -7.911 1.00 . A A . 4 VAL HG13 1 1 2 807 1 1 2 VAL HG21 H 0.671 6.456 -10.865 1.00 . A A . 4 VAL HG21 1 1 2 808 1 1 2 VAL HG22 H 0.788 6.639 -9.115 1.00 . A A . 4 VAL HG22 1 1 2 809 1 1 2 VAL HG23 H 0.172 5.138 -9.805 1.00 . A A . 4 VAL HG23 1 1 2 810 1 1 2 VAL N N 4.679 5.964 -10.244 1.00 . A A . 4 VAL N 1 1 2 811 1 1 2 VAL O O 2.300 8.145 -8.652 1.00 . A A . 4 VAL O 1 1 2 812 1 1 3 SER C C 5.271 7.566 -5.802 1.00 . A A . 5 SER C 1 1 2 813 1 1 3 SER CA C 4.268 8.165 -6.789 1.00 . A A . 5 SER CA 1 1 2 814 1 1 3 SER CB C 2.879 8.178 -6.156 1.00 . A A . 5 SER CB 1 1 2 815 1 1 3 SER H H 4.999 6.734 -8.220 1.00 . A A . 5 SER H 1 1 2 816 1 1 3 SER HA H 4.562 9.174 -7.036 1.00 . A A . 5 SER HA 1 1 2 817 1 1 3 SER HB2 H 2.251 8.885 -6.670 1.00 . A A . 5 SER HB2 1 1 2 818 1 1 3 SER HB3 H 2.442 7.190 -6.230 1.00 . A A . 5 SER HB3 1 1 2 819 1 1 3 SER HG H 3.603 9.297 -4.740 1.00 . A A . 5 SER HG 1 1 2 820 1 1 3 SER N N 4.249 7.335 -8.028 1.00 . A A . 5 SER N 1 1 2 821 1 1 3 SER O O 6.200 8.219 -5.370 1.00 . A A . 5 SER O 1 1 2 822 1 1 3 SER OG O 2.993 8.559 -4.791 1.00 . A A . 5 SER OG 1 1 2 823 1 1 4 VAL C C 6.479 4.328 -5.077 1.00 . A A . 6 VAL C 1 1 2 824 1 1 4 VAL CA C 6.028 5.670 -4.495 1.00 . A A . 6 VAL CA 1 1 2 825 1 1 4 VAL CB C 5.319 5.434 -3.160 1.00 . A A . 6 VAL CB 1 1 2 826 1 1 4 VAL CG1 C 5.119 6.769 -2.440 1.00 . A A . 6 VAL CG1 1 1 2 827 1 1 4 VAL CG2 C 3.956 4.788 -3.416 1.00 . A A . 6 VAL CG2 1 1 2 828 1 1 4 VAL H H 4.334 5.818 -5.816 1.00 . A A . 6 VAL H 1 1 2 829 1 1 4 VAL HA H 6.888 6.305 -4.342 1.00 . A A . 6 VAL HA 1 1 2 830 1 1 4 VAL HB H 5.921 4.780 -2.546 1.00 . A A . 6 VAL HB 1 1 2 831 1 1 4 VAL HG11 H 4.561 7.440 -3.075 1.00 . A A . 6 VAL HG11 1 1 2 832 1 1 4 VAL HG12 H 6.082 7.204 -2.214 1.00 . A A . 6 VAL HG12 1 1 2 833 1 1 4 VAL HG13 H 4.574 6.603 -1.522 1.00 . A A . 6 VAL HG13 1 1 2 834 1 1 4 VAL HG21 H 3.927 4.399 -4.423 1.00 . A A . 6 VAL HG21 1 1 2 835 1 1 4 VAL HG22 H 3.178 5.526 -3.291 1.00 . A A . 6 VAL HG22 1 1 2 836 1 1 4 VAL HG23 H 3.804 3.981 -2.714 1.00 . A A . 6 VAL HG23 1 1 2 837 1 1 4 VAL N N 5.089 6.323 -5.449 1.00 . A A . 6 VAL N 1 1 2 838 1 1 4 VAL O O 5.907 3.833 -6.028 1.00 . A A . 6 VAL O 1 1 2 839 1 1 5 ASP C C 7.968 1.385 -3.924 1.00 . A A . 7 ASP C 1 1 2 840 1 1 5 ASP CA C 7.973 2.425 -5.044 1.00 . A A . 7 ASP CA 1 1 2 841 1 1 5 ASP CB C 9.394 2.582 -5.591 1.00 . A A . 7 ASP CB 1 1 2 842 1 1 5 ASP CG C 9.701 1.429 -6.549 1.00 . A A . 7 ASP CG 1 1 2 843 1 1 5 ASP H H 7.944 4.149 -3.750 1.00 . A A . 7 ASP H 1 1 2 844 1 1 5 ASP HA H 7.317 2.098 -5.839 1.00 . A A . 7 ASP HA 1 1 2 845 1 1 5 ASP HB2 H 9.474 3.521 -6.117 1.00 . A A . 7 ASP HB2 1 1 2 846 1 1 5 ASP HB3 H 10.098 2.566 -4.774 1.00 . A A . 7 ASP HB3 1 1 2 847 1 1 5 ASP N N 7.496 3.734 -4.516 1.00 . A A . 7 ASP N 1 1 2 848 1 1 5 ASP O O 8.427 1.636 -2.827 1.00 . A A . 7 ASP O 1 1 2 849 1 1 5 ASP OD1 O 9.039 1.343 -7.571 1.00 . A A . 7 ASP OD1 1 1 2 850 1 1 5 ASP OD2 O 10.590 0.654 -6.244 1.00 . A A . 7 ASP OD2 1 1 2 851 1 1 6 CYS C C 8.563 -1.821 -3.368 1.00 . A A . 8 CYS C 1 1 2 852 1 1 6 CYS CA C 7.411 -0.840 -3.145 1.00 . A A . 8 CYS CA 1 1 2 853 1 1 6 CYS CB C 6.077 -1.584 -3.228 1.00 . A A . 8 CYS CB 1 1 2 854 1 1 6 CYS H H 7.085 0.039 -5.082 1.00 . A A . 8 CYS H 1 1 2 855 1 1 6 CYS HA H 7.509 -0.388 -2.170 1.00 . A A . 8 CYS HA 1 1 2 856 1 1 6 CYS HB2 H 5.904 -1.903 -4.245 1.00 . A A . 8 CYS HB2 1 1 2 857 1 1 6 CYS HB3 H 6.103 -2.446 -2.578 1.00 . A A . 8 CYS HB3 1 1 2 858 1 1 6 CYS N N 7.450 0.218 -4.191 1.00 . A A . 8 CYS N 1 1 2 859 1 1 6 CYS O O 8.366 -3.017 -3.454 1.00 . A A . 8 CYS O 1 1 2 860 1 1 6 CYS SG S 4.747 -0.474 -2.707 1.00 . A A . 8 CYS SG 1 1 2 861 1 1 7 SER C C 11.467 -2.682 -2.319 1.00 . A A . 9 SER C 1 1 2 862 1 1 7 SER CA C 10.931 -2.220 -3.676 1.00 . A A . 9 SER CA 1 1 2 863 1 1 7 SER CB C 12.025 -1.462 -4.426 1.00 . A A . 9 SER CB 1 1 2 864 1 1 7 SER H H 9.898 -0.354 -3.388 1.00 . A A . 9 SER H 1 1 2 865 1 1 7 SER HA H 10.623 -3.079 -4.255 1.00 . A A . 9 SER HA 1 1 2 866 1 1 7 SER HB2 H 11.838 -1.510 -5.486 1.00 . A A . 9 SER HB2 1 1 2 867 1 1 7 SER HB3 H 12.026 -0.427 -4.110 1.00 . A A . 9 SER HB3 1 1 2 868 1 1 7 SER HG H 13.231 -2.986 -4.378 1.00 . A A . 9 SER HG 1 1 2 869 1 1 7 SER N N 9.764 -1.321 -3.462 1.00 . A A . 9 SER N 1 1 2 870 1 1 7 SER O O 12.135 -3.692 -2.215 1.00 . A A . 9 SER O 1 1 2 871 1 1 7 SER OG O 13.286 -2.056 -4.147 1.00 . A A . 9 SER OG 1 1 2 872 1 1 8 GLU C C 10.633 -3.269 0.730 1.00 . A A . 10 GLU C 1 1 2 873 1 1 8 GLU CA C 11.662 -2.347 0.074 1.00 . A A . 10 GLU CA 1 1 2 874 1 1 8 GLU CB C 11.850 -1.094 0.935 1.00 . A A . 10 GLU CB 1 1 2 875 1 1 8 GLU CD C 14.016 -0.275 1.870 1.00 . A A . 10 GLU CD 1 1 2 876 1 1 8 GLU CG C 13.187 -0.434 0.595 1.00 . A A . 10 GLU CG 1 1 2 877 1 1 8 GLU H H 10.629 -1.141 -1.381 1.00 . A A . 10 GLU H 1 1 2 878 1 1 8 GLU HA H 12.605 -2.865 -0.020 1.00 . A A . 10 GLU HA 1 1 2 879 1 1 8 GLU HB2 H 11.046 -0.400 0.738 1.00 . A A . 10 GLU HB2 1 1 2 880 1 1 8 GLU HB3 H 11.841 -1.368 1.979 1.00 . A A . 10 GLU HB3 1 1 2 881 1 1 8 GLU HG2 H 13.722 -1.053 -0.111 1.00 . A A . 10 GLU HG2 1 1 2 882 1 1 8 GLU HG3 H 13.007 0.537 0.161 1.00 . A A . 10 GLU HG3 1 1 2 883 1 1 8 GLU N N 11.174 -1.949 -1.276 1.00 . A A . 10 GLU N 1 1 2 884 1 1 8 GLU O O 10.305 -3.126 1.890 1.00 . A A . 10 GLU O 1 1 2 885 1 1 8 GLU OE1 O 13.740 -0.985 2.824 1.00 . A A . 10 GLU OE1 1 1 2 886 1 1 8 GLU OE2 O 14.913 0.552 1.872 1.00 . A A . 10 GLU OE2 1 1 2 887 1 1 9 TYR C C 9.405 -6.569 0.097 1.00 . A A . 11 TYR C 1 1 2 888 1 1 9 TYR CA C 9.106 -5.144 0.565 1.00 . A A . 11 TYR CA 1 1 2 889 1 1 9 TYR CB C 7.715 -4.722 0.093 1.00 . A A . 11 TYR CB 1 1 2 890 1 1 9 TYR CD1 C 7.650 -2.323 0.839 1.00 . A A . 11 TYR CD1 1 1 2 891 1 1 9 TYR CD2 C 6.272 -3.938 2.006 1.00 . A A . 11 TYR CD2 1 1 2 892 1 1 9 TYR CE1 C 7.181 -1.309 1.681 1.00 . A A . 11 TYR CE1 1 1 2 893 1 1 9 TYR CE2 C 5.801 -2.926 2.853 1.00 . A A . 11 TYR CE2 1 1 2 894 1 1 9 TYR CG C 7.196 -3.636 1.000 1.00 . A A . 11 TYR CG 1 1 2 895 1 1 9 TYR CZ C 6.256 -1.610 2.692 1.00 . A A . 11 TYR CZ 1 1 2 896 1 1 9 TYR H H 10.396 -4.306 -0.944 1.00 . A A . 11 TYR H 1 1 2 897 1 1 9 TYR HA H 9.149 -5.101 1.643 1.00 . A A . 11 TYR HA 1 1 2 898 1 1 9 TYR HB2 H 7.775 -4.349 -0.920 1.00 . A A . 11 TYR HB2 1 1 2 899 1 1 9 TYR HB3 H 7.047 -5.568 0.124 1.00 . A A . 11 TYR HB3 1 1 2 900 1 1 9 TYR HD1 H 8.363 -2.090 0.060 1.00 . A A . 11 TYR HD1 1 1 2 901 1 1 9 TYR HD2 H 5.922 -4.954 2.129 1.00 . A A . 11 TYR HD2 1 1 2 902 1 1 9 TYR HE1 H 7.536 -0.298 1.553 1.00 . A A . 11 TYR HE1 1 1 2 903 1 1 9 TYR HE2 H 5.087 -3.161 3.629 1.00 . A A . 11 TYR HE2 1 1 2 904 1 1 9 TYR HH H 5.330 0.033 2.986 1.00 . A A . 11 TYR HH 1 1 2 905 1 1 9 TYR N N 10.119 -4.213 -0.009 1.00 . A A . 11 TYR N 1 1 2 906 1 1 9 TYR O O 10.154 -6.766 -0.840 1.00 . A A . 11 TYR O 1 1 2 907 1 1 9 TYR OH O 5.792 -0.613 3.524 1.00 . A A . 11 TYR OH 1 1 2 908 1 1 10 PRO C C 8.695 -6.922 3.165 1.00 . A A . 12 PRO C 1 1 2 909 1 1 10 PRO CA C 7.904 -7.281 1.905 1.00 . A A . 12 PRO CA 1 1 2 910 1 1 10 PRO CB C 7.181 -8.619 2.078 1.00 . A A . 12 PRO CB 1 1 2 911 1 1 10 PRO CD C 9.009 -8.954 0.447 1.00 . A A . 12 PRO CD 1 1 2 912 1 1 10 PRO CG C 8.091 -9.693 1.436 1.00 . A A . 12 PRO CG 1 1 2 913 1 1 10 PRO HA H 7.194 -6.508 1.669 1.00 . A A . 12 PRO HA 1 1 2 914 1 1 10 PRO HB2 H 7.037 -8.828 3.131 1.00 . A A . 12 PRO HB2 1 1 2 915 1 1 10 PRO HB3 H 6.230 -8.596 1.571 1.00 . A A . 12 PRO HB3 1 1 2 916 1 1 10 PRO HD2 H 10.039 -9.242 0.601 1.00 . A A . 12 PRO HD2 1 1 2 917 1 1 10 PRO HD3 H 8.707 -9.151 -0.570 1.00 . A A . 12 PRO HD3 1 1 2 918 1 1 10 PRO HG2 H 8.681 -10.180 2.200 1.00 . A A . 12 PRO HG2 1 1 2 919 1 1 10 PRO HG3 H 7.493 -10.418 0.908 1.00 . A A . 12 PRO HG3 1 1 2 920 1 1 10 PRO N N 8.814 -7.526 0.767 1.00 . A A . 12 PRO N 1 1 2 921 1 1 10 PRO O O 9.898 -7.087 3.226 1.00 . A A . 12 PRO O 1 1 2 922 1 1 11 LYS C C 8.343 -7.025 6.542 1.00 . A A . 13 LYS C 1 1 2 923 1 1 11 LYS CA C 8.729 -6.053 5.426 1.00 . A A . 13 LYS CA 1 1 2 924 1 1 11 LYS CB C 8.324 -4.636 5.829 1.00 . A A . 13 LYS CB 1 1 2 925 1 1 11 LYS CD C 9.824 -3.041 4.635 1.00 . A A . 13 LYS CD 1 1 2 926 1 1 11 LYS CE C 10.914 -4.111 4.537 1.00 . A A . 13 LYS CE 1 1 2 927 1 1 11 LYS CG C 8.450 -3.707 4.622 1.00 . A A . 13 LYS CG 1 1 2 928 1 1 11 LYS H H 7.055 -6.302 4.095 1.00 . A A . 13 LYS H 1 1 2 929 1 1 11 LYS HA H 9.798 -6.091 5.267 1.00 . A A . 13 LYS HA 1 1 2 930 1 1 11 LYS HB2 H 7.302 -4.640 6.176 1.00 . A A . 13 LYS HB2 1 1 2 931 1 1 11 LYS HB3 H 8.974 -4.286 6.618 1.00 . A A . 13 LYS HB3 1 1 2 932 1 1 11 LYS HD2 H 9.903 -2.365 3.795 1.00 . A A . 13 LYS HD2 1 1 2 933 1 1 11 LYS HD3 H 9.949 -2.487 5.554 1.00 . A A . 13 LYS HD3 1 1 2 934 1 1 11 LYS HE2 H 11.110 -4.515 5.518 1.00 . A A . 13 LYS HE2 1 1 2 935 1 1 11 LYS HE3 H 10.580 -4.904 3.881 1.00 . A A . 13 LYS HE3 1 1 2 936 1 1 11 LYS HG2 H 8.335 -4.281 3.714 1.00 . A A . 13 LYS HG2 1 1 2 937 1 1 11 LYS HG3 H 7.683 -2.949 4.669 1.00 . A A . 13 LYS HG3 1 1 2 938 1 1 11 LYS HZ1 H 11.921 -2.638 3.465 1.00 . A A . 13 LYS HZ1 1 1 2 939 1 1 11 LYS HZ2 H 12.622 -4.182 3.350 1.00 . A A . 13 LYS HZ2 1 1 2 940 1 1 11 LYS HZ3 H 12.801 -3.268 4.772 1.00 . A A . 13 LYS HZ3 1 1 2 941 1 1 11 LYS N N 8.024 -6.429 4.169 1.00 . A A . 13 LYS N 1 1 2 942 1 1 11 LYS NZ N 12.158 -3.503 3.989 1.00 . A A . 13 LYS NZ 1 1 2 943 1 1 11 LYS O O 7.310 -7.662 6.479 1.00 . A A . 13 LYS O 1 1 2 944 1 1 12 PRO C C 7.985 -7.347 9.678 1.00 . A A . 14 PRO C 1 1 2 945 1 1 12 PRO CA C 8.970 -7.989 8.693 1.00 . A A . 14 PRO CA 1 1 2 946 1 1 12 PRO CB C 10.362 -8.111 9.318 1.00 . A A . 14 PRO CB 1 1 2 947 1 1 12 PRO CD C 10.445 -6.331 7.597 1.00 . A A . 14 PRO CD 1 1 2 948 1 1 12 PRO CG C 11.163 -6.872 8.848 1.00 . A A . 14 PRO CG 1 1 2 949 1 1 12 PRO HA H 8.620 -8.956 8.376 1.00 . A A . 14 PRO HA 1 1 2 950 1 1 12 PRO HB2 H 10.284 -8.120 10.396 1.00 . A A . 14 PRO HB2 1 1 2 951 1 1 12 PRO HB3 H 10.847 -9.010 8.971 1.00 . A A . 14 PRO HB3 1 1 2 952 1 1 12 PRO HD2 H 10.237 -5.276 7.708 1.00 . A A . 14 PRO HD2 1 1 2 953 1 1 12 PRO HD3 H 11.037 -6.511 6.713 1.00 . A A . 14 PRO HD3 1 1 2 954 1 1 12 PRO HG2 H 11.173 -6.122 9.627 1.00 . A A . 14 PRO HG2 1 1 2 955 1 1 12 PRO HG3 H 12.171 -7.158 8.595 1.00 . A A . 14 PRO HG3 1 1 2 956 1 1 12 PRO N N 9.189 -7.106 7.537 1.00 . A A . 14 PRO N 1 1 2 957 1 1 12 PRO O O 7.590 -7.953 10.654 1.00 . A A . 14 PRO O 1 1 2 958 1 1 13 ALA C C 5.970 -4.269 9.664 1.00 . A A . 15 ALA C 1 1 2 959 1 1 13 ALA CA C 6.633 -5.456 10.366 1.00 . A A . 15 ALA CA 1 1 2 960 1 1 13 ALA CB C 7.389 -4.961 11.601 1.00 . A A . 15 ALA CB 1 1 2 961 1 1 13 ALA H H 7.918 -5.649 8.645 1.00 . A A . 15 ALA H 1 1 2 962 1 1 13 ALA HA H 5.875 -6.163 10.670 1.00 . A A . 15 ALA HA 1 1 2 963 1 1 13 ALA HB1 H 8.350 -4.570 11.302 1.00 . A A . 15 ALA HB1 1 1 2 964 1 1 13 ALA HB2 H 7.533 -5.783 12.287 1.00 . A A . 15 ALA HB2 1 1 2 965 1 1 13 ALA HB3 H 6.819 -4.183 12.085 1.00 . A A . 15 ALA HB3 1 1 2 966 1 1 13 ALA N N 7.588 -6.125 9.436 1.00 . A A . 15 ALA N 1 1 2 967 1 1 13 ALA O O 6.361 -3.874 8.582 1.00 . A A . 15 ALA O 1 1 2 968 1 1 14 CYS C C 4.184 -1.389 10.654 1.00 . A A . 16 CYS C 1 1 2 969 1 1 14 CYS CA C 4.274 -2.534 9.644 1.00 . A A . 16 CYS CA 1 1 2 970 1 1 14 CYS CB C 2.858 -2.946 9.229 1.00 . A A . 16 CYS CB 1 1 2 971 1 1 14 CYS H H 4.666 -4.030 11.143 1.00 . A A . 16 CYS H 1 1 2 972 1 1 14 CYS HA H 4.826 -2.209 8.775 1.00 . A A . 16 CYS HA 1 1 2 973 1 1 14 CYS HB2 H 2.325 -3.320 10.090 1.00 . A A . 16 CYS HB2 1 1 2 974 1 1 14 CYS HB3 H 2.337 -2.087 8.831 1.00 . A A . 16 CYS HB3 1 1 2 975 1 1 14 CYS N N 4.966 -3.695 10.272 1.00 . A A . 16 CYS N 1 1 2 976 1 1 14 CYS O O 4.383 -1.575 11.837 1.00 . A A . 16 CYS O 1 1 2 977 1 1 14 CYS SG S 2.943 -4.236 7.967 1.00 . A A . 16 CYS SG 1 1 2 978 1 1 15 THR C C 2.317 1.056 11.621 1.00 . A A . 17 THR C 1 1 2 979 1 1 15 THR CA C 3.762 0.947 11.133 1.00 . A A . 17 THR CA 1 1 2 980 1 1 15 THR CB C 4.152 2.238 10.407 1.00 . A A . 17 THR CB 1 1 2 981 1 1 15 THR CG2 C 5.356 2.873 11.104 1.00 . A A . 17 THR CG2 1 1 2 982 1 1 15 THR H H 3.711 -0.079 9.238 1.00 . A A . 17 THR H 1 1 2 983 1 1 15 THR HA H 4.418 0.793 11.976 1.00 . A A . 17 THR HA 1 1 2 984 1 1 15 THR HB H 3.322 2.929 10.429 1.00 . A A . 17 THR HB 1 1 2 985 1 1 15 THR HG1 H 4.214 2.681 8.516 1.00 . A A . 17 THR HG1 1 1 2 986 1 1 15 THR HG21 H 6.223 2.244 10.971 1.00 . A A . 17 THR HG21 1 1 2 987 1 1 15 THR HG22 H 5.146 2.982 12.158 1.00 . A A . 17 THR HG22 1 1 2 988 1 1 15 THR HG23 H 5.548 3.845 10.674 1.00 . A A . 17 THR HG23 1 1 2 989 1 1 15 THR N N 3.875 -0.206 10.196 1.00 . A A . 17 THR N 1 1 2 990 1 1 15 THR O O 1.397 0.621 10.957 1.00 . A A . 17 THR O 1 1 2 991 1 1 15 THR OG1 O 4.485 1.938 9.060 1.00 . A A . 17 THR OG1 1 1 2 992 1 1 16 MET C C 0.139 3.121 12.891 1.00 . A A . 18 MET C 1 1 2 993 1 1 16 MET CA C 0.713 1.759 13.290 1.00 . A A . 18 MET CA 1 1 2 994 1 1 16 MET CB C 0.713 1.622 14.815 1.00 . A A . 18 MET CB 1 1 2 995 1 1 16 MET CE C 2.608 2.154 17.735 1.00 . A A . 18 MET CE 1 1 2 996 1 1 16 MET CG C 1.325 2.873 15.449 1.00 . A A . 18 MET CG 1 1 2 997 1 1 16 MET H H 2.858 1.976 13.297 1.00 . A A . 18 MET H 1 1 2 998 1 1 16 MET HA H 0.102 0.977 12.862 1.00 . A A . 18 MET HA 1 1 2 999 1 1 16 MET HB2 H -0.302 1.502 15.164 1.00 . A A . 18 MET HB2 1 1 2 1000 1 1 16 MET HB3 H 1.294 0.758 15.098 1.00 . A A . 18 MET HB3 1 1 2 1001 1 1 16 MET HE1 H 3.328 2.951 17.853 1.00 . A A . 18 MET HE1 1 1 2 1002 1 1 16 MET HE2 H 2.955 1.466 16.982 1.00 . A A . 18 MET HE2 1 1 2 1003 1 1 16 MET HE3 H 2.488 1.629 18.674 1.00 . A A . 18 MET HE3 1 1 2 1004 1 1 16 MET HG2 H 2.389 2.885 15.268 1.00 . A A . 18 MET HG2 1 1 2 1005 1 1 16 MET HG3 H 0.875 3.755 15.015 1.00 . A A . 18 MET HG3 1 1 2 1006 1 1 16 MET N N 2.105 1.630 12.774 1.00 . A A . 18 MET N 1 1 2 1007 1 1 16 MET O O -0.748 3.644 13.537 1.00 . A A . 18 MET O 1 1 2 1008 1 1 16 MET SD S 1.016 2.854 17.232 1.00 . A A . 18 MET SD 1 1 2 1009 1 1 17 GLU C C -1.108 4.799 10.479 1.00 . A A . 19 GLU C 1 1 2 1010 1 1 17 GLU CA C 0.108 5.021 11.385 1.00 . A A . 19 GLU CA 1 1 2 1011 1 1 17 GLU CB C 1.203 5.777 10.620 1.00 . A A . 19 GLU CB 1 1 2 1012 1 1 17 GLU CD C 2.687 5.560 8.615 1.00 . A A . 19 GLU CD 1 1 2 1013 1 1 17 GLU CG C 1.302 5.246 9.186 1.00 . A A . 19 GLU CG 1 1 2 1014 1 1 17 GLU H H 1.344 3.258 11.317 1.00 . A A . 19 GLU H 1 1 2 1015 1 1 17 GLU HA H -0.190 5.596 12.250 1.00 . A A . 19 GLU HA 1 1 2 1016 1 1 17 GLU HB2 H 0.963 6.830 10.597 1.00 . A A . 19 GLU HB2 1 1 2 1017 1 1 17 GLU HB3 H 2.151 5.637 11.118 1.00 . A A . 19 GLU HB3 1 1 2 1018 1 1 17 GLU HG2 H 1.146 4.176 9.186 1.00 . A A . 19 GLU HG2 1 1 2 1019 1 1 17 GLU HG3 H 0.548 5.719 8.574 1.00 . A A . 19 GLU HG3 1 1 2 1020 1 1 17 GLU N N 0.633 3.698 11.827 1.00 . A A . 19 GLU N 1 1 2 1021 1 1 17 GLU O O -1.185 3.820 9.764 1.00 . A A . 19 GLU O 1 1 2 1022 1 1 17 GLU OE1 O 3.560 5.913 9.391 1.00 . A A . 19 GLU OE1 1 1 2 1023 1 1 17 GLU OE2 O 2.849 5.446 7.411 1.00 . A A . 19 GLU OE2 1 1 2 1024 1 1 18 TYR C C -2.975 6.089 8.246 1.00 . A A . 20 TYR C 1 1 2 1025 1 1 18 TYR CA C -3.259 5.518 9.635 1.00 . A A . 20 TYR CA 1 1 2 1026 1 1 18 TYR CB C -4.447 6.252 10.247 1.00 . A A . 20 TYR CB 1 1 2 1027 1 1 18 TYR CD1 C -5.990 4.289 10.613 1.00 . A A . 20 TYR CD1 1 1 2 1028 1 1 18 TYR CD2 C -6.632 5.995 9.014 1.00 . A A . 20 TYR CD2 1 1 2 1029 1 1 18 TYR CE1 C -7.169 3.587 10.338 1.00 . A A . 20 TYR CE1 1 1 2 1030 1 1 18 TYR CE2 C -7.813 5.293 8.740 1.00 . A A . 20 TYR CE2 1 1 2 1031 1 1 18 TYR CG C -5.721 5.494 9.951 1.00 . A A . 20 TYR CG 1 1 2 1032 1 1 18 TYR CZ C -8.081 4.089 9.401 1.00 . A A . 20 TYR CZ 1 1 2 1033 1 1 18 TYR H H -1.980 6.479 11.081 1.00 . A A . 20 TYR H 1 1 2 1034 1 1 18 TYR HA H -3.488 4.467 9.550 1.00 . A A . 20 TYR HA 1 1 2 1035 1 1 18 TYR HB2 H -4.312 6.325 11.315 1.00 . A A . 20 TYR HB2 1 1 2 1036 1 1 18 TYR HB3 H -4.513 7.241 9.822 1.00 . A A . 20 TYR HB3 1 1 2 1037 1 1 18 TYR HD1 H -5.286 3.902 11.335 1.00 . A A . 20 TYR HD1 1 1 2 1038 1 1 18 TYR HD2 H -6.425 6.925 8.502 1.00 . A A . 20 TYR HD2 1 1 2 1039 1 1 18 TYR HE1 H -7.377 2.659 10.849 1.00 . A A . 20 TYR HE1 1 1 2 1040 1 1 18 TYR HE2 H -8.517 5.680 8.017 1.00 . A A . 20 TYR HE2 1 1 2 1041 1 1 18 TYR HH H -9.960 3.820 9.611 1.00 . A A . 20 TYR HH 1 1 2 1042 1 1 18 TYR N N -2.056 5.694 10.500 1.00 . A A . 20 TYR N 1 1 2 1043 1 1 18 TYR O O -2.779 7.276 8.077 1.00 . A A . 20 TYR O 1 1 2 1044 1 1 18 TYR OH O -9.245 3.398 9.132 1.00 . A A . 20 TYR OH 1 1 2 1045 1 1 19 ARG C C -3.540 4.950 4.876 1.00 . A A . 21 ARG C 1 1 2 1046 1 1 19 ARG CA C -2.676 5.733 5.875 1.00 . A A . 21 ARG CA 1 1 2 1047 1 1 19 ARG CB C -1.196 5.513 5.556 1.00 . A A . 21 ARG CB 1 1 2 1048 1 1 19 ARG CD C -1.583 6.997 3.583 1.00 . A A . 21 ARG CD 1 1 2 1049 1 1 19 ARG CG C -0.961 5.682 4.055 1.00 . A A . 21 ARG CG 1 1 2 1050 1 1 19 ARG CZ C -1.064 9.345 3.879 1.00 . A A . 21 ARG CZ 1 1 2 1051 1 1 19 ARG H H -3.107 4.297 7.419 1.00 . A A . 21 ARG H 1 1 2 1052 1 1 19 ARG HA H -2.906 6.786 5.809 1.00 . A A . 21 ARG HA 1 1 2 1053 1 1 19 ARG HB2 H -0.601 6.234 6.098 1.00 . A A . 21 ARG HB2 1 1 2 1054 1 1 19 ARG HB3 H -0.909 4.515 5.852 1.00 . A A . 21 ARG HB3 1 1 2 1055 1 1 19 ARG HD2 H -1.384 7.131 2.531 1.00 . A A . 21 ARG HD2 1 1 2 1056 1 1 19 ARG HD3 H -2.650 6.970 3.747 1.00 . A A . 21 ARG HD3 1 1 2 1057 1 1 19 ARG HE H -0.546 7.961 5.206 1.00 . A A . 21 ARG HE 1 1 2 1058 1 1 19 ARG HG2 H 0.101 5.694 3.856 1.00 . A A . 21 ARG HG2 1 1 2 1059 1 1 19 ARG HG3 H -1.416 4.861 3.527 1.00 . A A . 21 ARG HG3 1 1 2 1060 1 1 19 ARG HH11 H -2.820 9.047 2.962 1.00 . A A . 21 ARG HH11 1 1 2 1061 1 1 19 ARG HH12 H -2.146 10.634 2.796 1.00 . A A . 21 ARG HH12 1 1 2 1062 1 1 19 ARG HH21 H 0.672 9.924 4.687 1.00 . A A . 21 ARG HH21 1 1 2 1063 1 1 19 ARG HH22 H -0.169 11.131 3.775 1.00 . A A . 21 ARG HH22 1 1 2 1064 1 1 19 ARG N N -2.950 5.248 7.255 1.00 . A A . 21 ARG N 1 1 2 1065 1 1 19 ARG NE N -0.992 8.129 4.349 1.00 . A A . 21 ARG NE 1 1 2 1066 1 1 19 ARG NH1 N -2.090 9.703 3.157 1.00 . A A . 21 ARG NH1 1 1 2 1067 1 1 19 ARG NH2 N -0.113 10.200 4.133 1.00 . A A . 21 ARG NH2 1 1 2 1068 1 1 19 ARG O O -3.208 3.844 4.510 1.00 . A A . 21 ARG O 1 1 2 1069 1 1 20 PRO C C -4.953 5.000 2.085 1.00 . A A . 22 PRO C 1 1 2 1070 1 1 20 PRO CA C -5.542 4.920 3.495 1.00 . A A . 22 PRO CA 1 1 2 1071 1 1 20 PRO CB C -6.817 5.755 3.616 1.00 . A A . 22 PRO CB 1 1 2 1072 1 1 20 PRO CD C -5.035 6.896 4.901 1.00 . A A . 22 PRO CD 1 1 2 1073 1 1 20 PRO CG C -6.393 7.122 4.207 1.00 . A A . 22 PRO CG 1 1 2 1074 1 1 20 PRO HA H -5.741 3.897 3.770 1.00 . A A . 22 PRO HA 1 1 2 1075 1 1 20 PRO HB2 H -7.259 5.891 2.640 1.00 . A A . 22 PRO HB2 1 1 2 1076 1 1 20 PRO HB3 H -7.517 5.272 4.278 1.00 . A A . 22 PRO HB3 1 1 2 1077 1 1 20 PRO HD2 H -4.319 7.640 4.579 1.00 . A A . 22 PRO HD2 1 1 2 1078 1 1 20 PRO HD3 H -5.149 6.918 5.973 1.00 . A A . 22 PRO HD3 1 1 2 1079 1 1 20 PRO HG2 H -6.293 7.851 3.415 1.00 . A A . 22 PRO HG2 1 1 2 1080 1 1 20 PRO HG3 H -7.121 7.454 4.930 1.00 . A A . 22 PRO HG3 1 1 2 1081 1 1 20 PRO N N -4.624 5.548 4.459 1.00 . A A . 22 PRO N 1 1 2 1082 1 1 20 PRO O O -4.781 6.068 1.531 1.00 . A A . 22 PRO O 1 1 2 1083 1 1 21 LEU C C -4.962 3.181 -0.850 1.00 . A A . 23 LEU C 1 1 2 1084 1 1 21 LEU CA C -4.030 3.886 0.140 1.00 . A A . 23 LEU CA 1 1 2 1085 1 1 21 LEU CB C -2.689 3.151 0.175 1.00 . A A . 23 LEU CB 1 1 2 1086 1 1 21 LEU CD1 C -0.304 3.278 0.896 1.00 . A A . 23 LEU CD1 1 1 2 1087 1 1 21 LEU CD2 C -1.538 5.367 0.308 1.00 . A A . 23 LEU CD2 1 1 2 1088 1 1 21 LEU CG C -1.662 3.980 0.943 1.00 . A A . 23 LEU CG 1 1 2 1089 1 1 21 LEU H H -4.763 3.027 1.975 1.00 . A A . 23 LEU H 1 1 2 1090 1 1 21 LEU HA H -3.870 4.905 -0.177 1.00 . A A . 23 LEU HA 1 1 2 1091 1 1 21 LEU HB2 H -2.816 2.199 0.668 1.00 . A A . 23 LEU HB2 1 1 2 1092 1 1 21 LEU HB3 H -2.338 2.989 -0.831 1.00 . A A . 23 LEU HB3 1 1 2 1093 1 1 21 LEU HD11 H -0.111 2.804 1.847 1.00 . A A . 23 LEU HD11 1 1 2 1094 1 1 21 LEU HD12 H 0.470 4.002 0.690 1.00 . A A . 23 LEU HD12 1 1 2 1095 1 1 21 LEU HD13 H -0.313 2.529 0.117 1.00 . A A . 23 LEU HD13 1 1 2 1096 1 1 21 LEU HD21 H -2.184 6.058 0.827 1.00 . A A . 23 LEU HD21 1 1 2 1097 1 1 21 LEU HD22 H -1.824 5.313 -0.730 1.00 . A A . 23 LEU HD22 1 1 2 1098 1 1 21 LEU HD23 H -0.515 5.705 0.384 1.00 . A A . 23 LEU HD23 1 1 2 1099 1 1 21 LEU HG H -1.978 4.078 1.969 1.00 . A A . 23 LEU HG 1 1 2 1100 1 1 21 LEU N N -4.626 3.876 1.505 1.00 . A A . 23 LEU N 1 1 2 1101 1 1 21 LEU O O -5.373 2.057 -0.640 1.00 . A A . 23 LEU O 1 1 2 1102 1 1 22 CYS C C -5.314 2.607 -4.070 1.00 . A A . 24 CYS C 1 1 2 1103 1 1 22 CYS CA C -6.175 3.193 -2.951 1.00 . A A . 24 CYS CA 1 1 2 1104 1 1 22 CYS CB C -7.114 4.247 -3.539 1.00 . A A . 24 CYS CB 1 1 2 1105 1 1 22 CYS H H -4.932 4.730 -2.093 1.00 . A A . 24 CYS H 1 1 2 1106 1 1 22 CYS HA H -6.754 2.410 -2.486 1.00 . A A . 24 CYS HA 1 1 2 1107 1 1 22 CYS HB2 H -7.800 4.580 -2.777 1.00 . A A . 24 CYS HB2 1 1 2 1108 1 1 22 CYS HB3 H -6.535 5.086 -3.896 1.00 . A A . 24 CYS HB3 1 1 2 1109 1 1 22 CYS N N -5.285 3.829 -1.939 1.00 . A A . 24 CYS N 1 1 2 1110 1 1 22 CYS O O -5.143 3.210 -5.110 1.00 . A A . 24 CYS O 1 1 2 1111 1 1 22 CYS SG S -8.045 3.531 -4.914 1.00 . A A . 24 CYS SG 1 1 2 1112 1 1 23 GLY C C -4.546 0.991 -6.288 1.00 . A A . 25 GLY C 1 1 2 1113 1 1 23 GLY CA C -3.906 0.818 -4.910 1.00 . A A . 25 GLY CA 1 1 2 1114 1 1 23 GLY H H -4.917 0.973 -3.015 1.00 . A A . 25 GLY H 1 1 2 1115 1 1 23 GLY HA2 H -2.936 1.293 -4.903 1.00 . A A . 25 GLY HA2 1 1 2 1116 1 1 23 GLY HA3 H -3.791 -0.235 -4.701 1.00 . A A . 25 GLY HA3 1 1 2 1117 1 1 23 GLY N N -4.768 1.440 -3.864 1.00 . A A . 25 GLY N 1 1 2 1118 1 1 23 GLY O O -5.749 1.109 -6.413 1.00 . A A . 25 GLY O 1 1 2 1119 1 1 24 SER C C -5.438 0.163 -8.936 1.00 . A A . 26 SER C 1 1 2 1120 1 1 24 SER CA C -4.293 1.153 -8.706 1.00 . A A . 26 SER CA 1 1 2 1121 1 1 24 SER CB C -3.181 0.878 -9.720 1.00 . A A . 26 SER CB 1 1 2 1122 1 1 24 SER H H -2.778 0.894 -7.195 1.00 . A A . 26 SER H 1 1 2 1123 1 1 24 SER HA H -4.655 2.161 -8.836 1.00 . A A . 26 SER HA 1 1 2 1124 1 1 24 SER HB2 H -2.733 1.809 -10.029 1.00 . A A . 26 SER HB2 1 1 2 1125 1 1 24 SER HB3 H -2.427 0.253 -9.261 1.00 . A A . 26 SER HB3 1 1 2 1126 1 1 24 SER HG H -3.154 -0.507 -11.084 1.00 . A A . 26 SER HG 1 1 2 1127 1 1 24 SER N N -3.747 0.996 -7.326 1.00 . A A . 26 SER N 1 1 2 1128 1 1 24 SER O O -6.237 0.325 -9.837 1.00 . A A . 26 SER O 1 1 2 1129 1 1 24 SER OG O -3.731 0.224 -10.855 1.00 . A A . 26 SER OG 1 1 2 1130 1 1 25 ASP C C -7.887 -1.373 -7.594 1.00 . A A . 27 ASP C 1 1 2 1131 1 1 25 ASP CA C -6.623 -1.859 -8.309 1.00 . A A . 27 ASP CA 1 1 2 1132 1 1 25 ASP CB C -6.190 -3.199 -7.713 1.00 . A A . 27 ASP CB 1 1 2 1133 1 1 25 ASP CG C -6.059 -3.067 -6.195 1.00 . A A . 27 ASP CG 1 1 2 1134 1 1 25 ASP H H -4.877 -0.979 -7.413 1.00 . A A . 27 ASP H 1 1 2 1135 1 1 25 ASP HA H -6.831 -1.983 -9.362 1.00 . A A . 27 ASP HA 1 1 2 1136 1 1 25 ASP HB2 H -6.925 -3.953 -7.949 1.00 . A A . 27 ASP HB2 1 1 2 1137 1 1 25 ASP HB3 H -5.237 -3.484 -8.129 1.00 . A A . 27 ASP HB3 1 1 2 1138 1 1 25 ASP N N -5.528 -0.863 -8.131 1.00 . A A . 27 ASP N 1 1 2 1139 1 1 25 ASP O O -8.752 -2.153 -7.246 1.00 . A A . 27 ASP O 1 1 2 1140 1 1 25 ASP OD1 O -6.226 -1.965 -5.701 1.00 . A A . 27 ASP OD1 1 1 2 1141 1 1 25 ASP OD2 O -5.796 -4.072 -5.553 1.00 . A A . 27 ASP OD2 1 1 2 1142 1 1 26 ASN C C -9.361 -0.259 -5.326 1.00 . A A . 28 ASN C 1 1 2 1143 1 1 26 ASN CA C -9.205 0.439 -6.679 1.00 . A A . 28 ASN CA 1 1 2 1144 1 1 26 ASN CB C -10.445 0.178 -7.536 1.00 . A A . 28 ASN CB 1 1 2 1145 1 1 26 ASN CG C -11.580 1.104 -7.097 1.00 . A A . 28 ASN CG 1 1 2 1146 1 1 26 ASN H H -7.293 0.516 -7.657 1.00 . A A . 28 ASN H 1 1 2 1147 1 1 26 ASN HA H -9.092 1.502 -6.524 1.00 . A A . 28 ASN HA 1 1 2 1148 1 1 26 ASN HB2 H -10.208 0.364 -8.575 1.00 . A A . 28 ASN HB2 1 1 2 1149 1 1 26 ASN HB3 H -10.753 -0.850 -7.417 1.00 . A A . 28 ASN HB3 1 1 2 1150 1 1 26 ASN HD21 H -12.253 1.390 -8.944 1.00 . A A . 28 ASN HD21 1 1 2 1151 1 1 26 ASN HD22 H -13.112 2.200 -7.725 1.00 . A A . 28 ASN HD22 1 1 2 1152 1 1 26 ASN N N -7.999 -0.094 -7.370 1.00 . A A . 28 ASN N 1 1 2 1153 1 1 26 ASN ND2 N -12.381 1.607 -7.996 1.00 . A A . 28 ASN ND2 1 1 2 1154 1 1 26 ASN O O -10.452 -0.593 -4.913 1.00 . A A . 28 ASN O 1 1 2 1155 1 1 26 ASN OD1 O -11.739 1.373 -5.924 1.00 . A A . 28 ASN OD1 1 1 2 1156 1 1 27 LYS C C -7.825 -0.264 -2.213 1.00 . A A . 29 LYS C 1 1 2 1157 1 1 27 LYS CA C -8.373 -1.171 -3.314 1.00 . A A . 29 LYS CA 1 1 2 1158 1 1 27 LYS CB C -7.566 -2.471 -3.347 1.00 . A A . 29 LYS CB 1 1 2 1159 1 1 27 LYS CD C -8.798 -4.147 -1.963 1.00 . A A . 29 LYS CD 1 1 2 1160 1 1 27 LYS CE C -9.456 -4.147 -0.581 1.00 . A A . 29 LYS CE 1 1 2 1161 1 1 27 LYS CG C -7.637 -3.152 -1.978 1.00 . A A . 29 LYS CG 1 1 2 1162 1 1 27 LYS H H -7.401 -0.215 -4.988 1.00 . A A . 29 LYS H 1 1 2 1163 1 1 27 LYS HA H -9.404 -1.398 -3.106 1.00 . A A . 29 LYS HA 1 1 2 1164 1 1 27 LYS HB2 H -7.974 -3.130 -4.099 1.00 . A A . 29 LYS HB2 1 1 2 1165 1 1 27 LYS HB3 H -6.536 -2.249 -3.584 1.00 . A A . 29 LYS HB3 1 1 2 1166 1 1 27 LYS HD2 H -9.526 -3.862 -2.707 1.00 . A A . 29 LYS HD2 1 1 2 1167 1 1 27 LYS HD3 H -8.428 -5.136 -2.181 1.00 . A A . 29 LYS HD3 1 1 2 1168 1 1 27 LYS HE2 H -8.723 -4.419 0.167 1.00 . A A . 29 LYS HE2 1 1 2 1169 1 1 27 LYS HE3 H -9.840 -3.162 -0.365 1.00 . A A . 29 LYS HE3 1 1 2 1170 1 1 27 LYS HG2 H -6.711 -3.675 -1.787 1.00 . A A . 29 LYS HG2 1 1 2 1171 1 1 27 LYS HG3 H -7.794 -2.406 -1.213 1.00 . A A . 29 LYS HG3 1 1 2 1172 1 1 27 LYS HZ1 H -10.905 -5.263 0.415 1.00 . A A . 29 LYS HZ1 1 1 2 1173 1 1 27 LYS HZ2 H -10.237 -6.043 -0.940 1.00 . A A . 29 LYS HZ2 1 1 2 1174 1 1 27 LYS HZ3 H -11.356 -4.779 -1.147 1.00 . A A . 29 LYS HZ3 1 1 2 1175 1 1 27 LYS N N -8.277 -0.488 -4.635 1.00 . A A . 29 LYS N 1 1 2 1176 1 1 27 LYS NZ N -10.573 -5.132 -0.563 1.00 . A A . 29 LYS NZ 1 1 2 1177 1 1 27 LYS O O -6.770 0.319 -2.343 1.00 . A A . 29 LYS O 1 1 2 1178 1 1 28 THR C C -7.093 -0.103 0.869 1.00 . A A . 30 THR C 1 1 2 1179 1 1 28 THR CA C -8.051 0.710 -0.004 1.00 . A A . 30 THR CA 1 1 2 1180 1 1 28 THR CB C -9.241 1.177 0.837 1.00 . A A . 30 THR CB 1 1 2 1181 1 1 28 THR CG2 C -8.743 2.040 1.998 1.00 . A A . 30 THR CG2 1 1 2 1182 1 1 28 THR H H -9.381 -0.636 -1.034 1.00 . A A . 30 THR H 1 1 2 1183 1 1 28 THR HA H -7.532 1.568 -0.407 1.00 . A A . 30 THR HA 1 1 2 1184 1 1 28 THR HB H -9.764 0.318 1.230 1.00 . A A . 30 THR HB 1 1 2 1185 1 1 28 THR HG1 H -10.978 1.964 0.458 1.00 . A A . 30 THR HG1 1 1 2 1186 1 1 28 THR HG21 H -7.878 2.604 1.681 1.00 . A A . 30 THR HG21 1 1 2 1187 1 1 28 THR HG22 H -8.472 1.404 2.828 1.00 . A A . 30 THR HG22 1 1 2 1188 1 1 28 THR HG23 H -9.524 2.719 2.303 1.00 . A A . 30 THR HG23 1 1 2 1189 1 1 28 THR N N -8.534 -0.149 -1.121 1.00 . A A . 30 THR N 1 1 2 1190 1 1 28 THR O O -7.250 -1.297 1.025 1.00 . A A . 30 THR O 1 1 2 1191 1 1 28 THR OG1 O -10.123 1.938 0.024 1.00 . A A . 30 THR OG1 1 1 2 1192 1 1 29 TYR C C -4.959 0.496 3.613 1.00 . A A . 31 TYR C 1 1 2 1193 1 1 29 TYR CA C -5.129 -0.216 2.274 1.00 . A A . 31 TYR CA 1 1 2 1194 1 1 29 TYR CB C -3.795 -0.284 1.543 1.00 . A A . 31 TYR CB 1 1 2 1195 1 1 29 TYR CD1 C -4.046 -2.747 1.068 1.00 . A A . 31 TYR CD1 1 1 2 1196 1 1 29 TYR CD2 C -3.582 -1.242 -0.775 1.00 . A A . 31 TYR CD2 1 1 2 1197 1 1 29 TYR CE1 C -4.063 -3.829 0.179 1.00 . A A . 31 TYR CE1 1 1 2 1198 1 1 29 TYR CE2 C -3.600 -2.323 -1.665 1.00 . A A . 31 TYR CE2 1 1 2 1199 1 1 29 TYR CG C -3.805 -1.453 0.589 1.00 . A A . 31 TYR CG 1 1 2 1200 1 1 29 TYR CZ C -3.839 -3.617 -1.188 1.00 . A A . 31 TYR CZ 1 1 2 1201 1 1 29 TYR H H -5.974 1.485 1.284 1.00 . A A . 31 TYR H 1 1 2 1202 1 1 29 TYR HA H -5.488 -1.216 2.451 1.00 . A A . 31 TYR HA 1 1 2 1203 1 1 29 TYR HB2 H -3.646 0.629 0.990 1.00 . A A . 31 TYR HB2 1 1 2 1204 1 1 29 TYR HB3 H -3.001 -0.403 2.257 1.00 . A A . 31 TYR HB3 1 1 2 1205 1 1 29 TYR HD1 H -4.220 -2.910 2.121 1.00 . A A . 31 TYR HD1 1 1 2 1206 1 1 29 TYR HD2 H -3.397 -0.243 -1.143 1.00 . A A . 31 TYR HD2 1 1 2 1207 1 1 29 TYR HE1 H -4.247 -4.826 0.547 1.00 . A A . 31 TYR HE1 1 1 2 1208 1 1 29 TYR HE2 H -3.426 -2.159 -2.717 1.00 . A A . 31 TYR HE2 1 1 2 1209 1 1 29 TYR HH H -4.530 -4.512 -2.726 1.00 . A A . 31 TYR HH 1 1 2 1210 1 1 29 TYR N N -6.096 0.525 1.429 1.00 . A A . 31 TYR N 1 1 2 1211 1 1 29 TYR O O -5.295 1.654 3.764 1.00 . A A . 31 TYR O 1 1 2 1212 1 1 29 TYR OH O -3.858 -4.684 -2.063 1.00 . A A . 31 TYR OH 1 1 2 1213 1 1 30 GLY C C -3.085 1.404 5.869 1.00 . A A . 32 GLY C 1 1 2 1214 1 1 30 GLY CA C -4.253 0.424 5.925 1.00 . A A . 32 GLY CA 1 1 2 1215 1 1 30 GLY H H -4.184 -1.127 4.437 1.00 . A A . 32 GLY H 1 1 2 1216 1 1 30 GLY HA2 H -5.153 0.952 6.208 1.00 . A A . 32 GLY HA2 1 1 2 1217 1 1 30 GLY HA3 H -4.040 -0.344 6.652 1.00 . A A . 32 GLY HA3 1 1 2 1218 1 1 30 GLY N N -4.444 -0.196 4.587 1.00 . A A . 32 GLY N 1 1 2 1219 1 1 30 GLY O O -3.042 2.367 6.607 1.00 . A A . 32 GLY O 1 1 2 1220 1 1 31 ASN C C 0.047 1.598 3.894 1.00 . A A . 33 ASN C 1 1 2 1221 1 1 31 ASN CA C -0.978 2.109 4.911 1.00 . A A . 33 ASN CA 1 1 2 1222 1 1 31 ASN CB C -0.321 2.251 6.289 1.00 . A A . 33 ASN CB 1 1 2 1223 1 1 31 ASN CG C 0.141 0.881 6.786 1.00 . A A . 33 ASN CG 1 1 2 1224 1 1 31 ASN H H -2.191 0.392 4.406 1.00 . A A . 33 ASN H 1 1 2 1225 1 1 31 ASN HA H -1.328 3.077 4.591 1.00 . A A . 33 ASN HA 1 1 2 1226 1 1 31 ASN HB2 H 0.525 2.915 6.216 1.00 . A A . 33 ASN HB2 1 1 2 1227 1 1 31 ASN HB3 H -1.034 2.662 6.988 1.00 . A A . 33 ASN HB3 1 1 2 1228 1 1 31 ASN HD21 H 1.026 1.611 8.407 1.00 . A A . 33 ASN HD21 1 1 2 1229 1 1 31 ASN HD22 H 1.121 -0.074 8.223 1.00 . A A . 33 ASN HD22 1 1 2 1230 1 1 31 ASN N N -2.138 1.174 5.000 1.00 . A A . 33 ASN N 1 1 2 1231 1 1 31 ASN ND2 N 0.819 0.799 7.897 1.00 . A A . 33 ASN ND2 1 1 2 1232 1 1 31 ASN O O -0.236 0.741 3.082 1.00 . A A . 33 ASN O 1 1 2 1233 1 1 31 ASN OD1 O -0.121 -0.123 6.159 1.00 . A A . 33 ASN OD1 1 1 2 1234 1 1 32 LYS C C 2.780 0.316 3.231 1.00 . A A . 34 LYS C 1 1 2 1235 1 1 32 LYS CA C 2.292 1.742 2.958 1.00 . A A . 34 LYS CA 1 1 2 1236 1 1 32 LYS CB C 3.475 2.703 3.077 1.00 . A A . 34 LYS CB 1 1 2 1237 1 1 32 LYS CD C 4.115 4.999 2.324 1.00 . A A . 34 LYS CD 1 1 2 1238 1 1 32 LYS CE C 3.921 6.455 2.748 1.00 . A A . 34 LYS CE 1 1 2 1239 1 1 32 LYS CG C 2.986 4.143 2.904 1.00 . A A . 34 LYS CG 1 1 2 1240 1 1 32 LYS H H 1.414 2.847 4.579 1.00 . A A . 34 LYS H 1 1 2 1241 1 1 32 LYS HA H 1.897 1.794 1.955 1.00 . A A . 34 LYS HA 1 1 2 1242 1 1 32 LYS HB2 H 3.932 2.591 4.048 1.00 . A A . 34 LYS HB2 1 1 2 1243 1 1 32 LYS HB3 H 4.200 2.477 2.309 1.00 . A A . 34 LYS HB3 1 1 2 1244 1 1 32 LYS HD2 H 5.065 4.639 2.692 1.00 . A A . 34 LYS HD2 1 1 2 1245 1 1 32 LYS HD3 H 4.097 4.935 1.246 1.00 . A A . 34 LYS HD3 1 1 2 1246 1 1 32 LYS HE2 H 2.905 6.601 3.081 1.00 . A A . 34 LYS HE2 1 1 2 1247 1 1 32 LYS HE3 H 4.601 6.689 3.553 1.00 . A A . 34 LYS HE3 1 1 2 1248 1 1 32 LYS HG2 H 2.140 4.157 2.233 1.00 . A A . 34 LYS HG2 1 1 2 1249 1 1 32 LYS HG3 H 2.692 4.540 3.863 1.00 . A A . 34 LYS HG3 1 1 2 1250 1 1 32 LYS HZ1 H 5.062 7.033 1.105 1.00 . A A . 34 LYS HZ1 1 1 2 1251 1 1 32 LYS HZ2 H 4.326 8.325 1.928 1.00 . A A . 34 LYS HZ2 1 1 2 1252 1 1 32 LYS HZ3 H 3.398 7.314 0.925 1.00 . A A . 34 LYS HZ3 1 1 2 1253 1 1 32 LYS N N 1.230 2.146 3.926 1.00 . A A . 34 LYS N 1 1 2 1254 1 1 32 LYS NZ N 4.197 7.349 1.589 1.00 . A A . 34 LYS NZ 1 1 2 1255 1 1 32 LYS O O 3.347 -0.318 2.367 1.00 . A A . 34 LYS O 1 1 2 1256 1 1 33 CYS C C 2.033 -2.573 4.118 1.00 . A A . 35 CYS C 1 1 2 1257 1 1 33 CYS CA C 3.053 -1.586 4.680 1.00 . A A . 35 CYS CA 1 1 2 1258 1 1 33 CYS CB C 3.206 -1.798 6.183 1.00 . A A . 35 CYS CB 1 1 2 1259 1 1 33 CYS H H 2.123 0.308 5.113 1.00 . A A . 35 CYS H 1 1 2 1260 1 1 33 CYS HA H 4.006 -1.740 4.195 1.00 . A A . 35 CYS HA 1 1 2 1261 1 1 33 CYS HB2 H 3.813 -1.005 6.597 1.00 . A A . 35 CYS HB2 1 1 2 1262 1 1 33 CYS HB3 H 2.233 -1.788 6.646 1.00 . A A . 35 CYS HB3 1 1 2 1263 1 1 33 CYS N N 2.580 -0.202 4.411 1.00 . A A . 35 CYS N 1 1 2 1264 1 1 33 CYS O O 2.380 -3.596 3.563 1.00 . A A . 35 CYS O 1 1 2 1265 1 1 33 CYS SG S 4.010 -3.393 6.477 1.00 . A A . 35 CYS SG 1 1 2 1266 1 1 34 ASN C C -0.440 -2.860 2.204 1.00 . A A . 36 ASN C 1 1 2 1267 1 1 34 ASN CA C -0.276 -3.153 3.697 1.00 . A A . 36 ASN CA 1 1 2 1268 1 1 34 ASN CB C -1.588 -2.866 4.424 1.00 . A A . 36 ASN CB 1 1 2 1269 1 1 34 ASN CG C -2.186 -4.176 4.938 1.00 . A A . 36 ASN CG 1 1 2 1270 1 1 34 ASN H H 0.518 -1.421 4.673 1.00 . A A . 36 ASN H 1 1 2 1271 1 1 34 ASN HA H 0.007 -4.185 3.842 1.00 . A A . 36 ASN HA 1 1 2 1272 1 1 34 ASN HB2 H -1.399 -2.202 5.257 1.00 . A A . 36 ASN HB2 1 1 2 1273 1 1 34 ASN HB3 H -2.276 -2.398 3.743 1.00 . A A . 36 ASN HB3 1 1 2 1274 1 1 34 ASN HD21 H -0.611 -4.618 6.065 1.00 . A A . 36 ASN HD21 1 1 2 1275 1 1 34 ASN HD22 H -1.875 -5.751 6.110 1.00 . A A . 36 ASN HD22 1 1 2 1276 1 1 34 ASN N N 0.774 -2.258 4.237 1.00 . A A . 36 ASN N 1 1 2 1277 1 1 34 ASN ND2 N -1.500 -4.910 5.774 1.00 . A A . 36 ASN ND2 1 1 2 1278 1 1 34 ASN O O -1.015 -3.631 1.464 1.00 . A A . 36 ASN O 1 1 2 1279 1 1 34 ASN OD1 O -3.288 -4.537 4.578 1.00 . A A . 36 ASN OD1 1 1 2 1280 1 1 35 PHE C C 1.106 -2.016 -0.453 1.00 . A A . 37 PHE C 1 1 2 1281 1 1 35 PHE CA C -0.038 -1.368 0.328 1.00 . A A . 37 PHE CA 1 1 2 1282 1 1 35 PHE CB C 0.058 0.154 0.203 1.00 . A A . 37 PHE CB 1 1 2 1283 1 1 35 PHE CD1 C -0.601 -0.119 -2.216 1.00 . A A . 37 PHE CD1 1 1 2 1284 1 1 35 PHE CD2 C 1.043 1.565 -1.635 1.00 . A A . 37 PHE CD2 1 1 2 1285 1 1 35 PHE CE1 C -0.495 0.244 -3.564 1.00 . A A . 37 PHE CE1 1 1 2 1286 1 1 35 PHE CE2 C 1.149 1.928 -2.980 1.00 . A A . 37 PHE CE2 1 1 2 1287 1 1 35 PHE CG C 0.168 0.542 -1.251 1.00 . A A . 37 PHE CG 1 1 2 1288 1 1 35 PHE CZ C 0.381 1.268 -3.946 1.00 . A A . 37 PHE CZ 1 1 2 1289 1 1 35 PHE H H 0.530 -1.138 2.387 1.00 . A A . 37 PHE H 1 1 2 1290 1 1 35 PHE HA H -0.982 -1.708 -0.067 1.00 . A A . 37 PHE HA 1 1 2 1291 1 1 35 PHE HB2 H -0.821 0.607 0.636 1.00 . A A . 37 PHE HB2 1 1 2 1292 1 1 35 PHE HB3 H 0.934 0.501 0.731 1.00 . A A . 37 PHE HB3 1 1 2 1293 1 1 35 PHE HD1 H -1.277 -0.909 -1.923 1.00 . A A . 37 PHE HD1 1 1 2 1294 1 1 35 PHE HD2 H 1.635 2.075 -0.890 1.00 . A A . 37 PHE HD2 1 1 2 1295 1 1 35 PHE HE1 H -1.088 -0.264 -4.311 1.00 . A A . 37 PHE HE1 1 1 2 1296 1 1 35 PHE HE2 H 1.824 2.717 -3.275 1.00 . A A . 37 PHE HE2 1 1 2 1297 1 1 35 PHE HZ H 0.464 1.549 -4.983 1.00 . A A . 37 PHE HZ 1 1 2 1298 1 1 35 PHE N N 0.071 -1.740 1.765 1.00 . A A . 37 PHE N 1 1 2 1299 1 1 35 PHE O O 0.908 -2.575 -1.513 1.00 . A A . 37 PHE O 1 1 2 1300 1 1 36 CYS C C 3.420 -4.064 -0.475 1.00 . A A . 38 CYS C 1 1 2 1301 1 1 36 CYS CA C 3.456 -2.550 -0.655 1.00 . A A . 38 CYS CA 1 1 2 1302 1 1 36 CYS CB C 4.760 -1.989 -0.092 1.00 . A A . 38 CYS CB 1 1 2 1303 1 1 36 CYS H H 2.441 -1.484 0.914 1.00 . A A . 38 CYS H 1 1 2 1304 1 1 36 CYS HA H 3.388 -2.315 -1.707 1.00 . A A . 38 CYS HA 1 1 2 1305 1 1 36 CYS HB2 H 4.709 -1.972 0.986 1.00 . A A . 38 CYS HB2 1 1 2 1306 1 1 36 CYS HB3 H 5.586 -2.612 -0.405 1.00 . A A . 38 CYS HB3 1 1 2 1307 1 1 36 CYS N N 2.302 -1.940 0.060 1.00 . A A . 38 CYS N 1 1 2 1308 1 1 36 CYS O O 3.860 -4.809 -1.328 1.00 . A A . 38 CYS O 1 1 2 1309 1 1 36 CYS SG S 5.005 -0.306 -0.711 1.00 . A A . 38 CYS SG 1 1 2 1310 1 1 37 ASN C C 1.758 -6.559 -0.117 1.00 . A A . 39 ASN C 1 1 2 1311 1 1 37 ASN CA C 2.813 -6.002 0.826 1.00 . A A . 39 ASN CA 1 1 2 1312 1 1 37 ASN CB C 2.428 -6.308 2.273 1.00 . A A . 39 ASN CB 1 1 2 1313 1 1 37 ASN CG C 3.686 -6.348 3.139 1.00 . A A . 39 ASN CG 1 1 2 1314 1 1 37 ASN H H 2.523 -3.920 1.291 1.00 . A A . 39 ASN H 1 1 2 1315 1 1 37 ASN HA H 3.767 -6.447 0.593 1.00 . A A . 39 ASN HA 1 1 2 1316 1 1 37 ASN HB2 H 1.761 -5.541 2.638 1.00 . A A . 39 ASN HB2 1 1 2 1317 1 1 37 ASN HB3 H 1.932 -7.267 2.318 1.00 . A A . 39 ASN HB3 1 1 2 1318 1 1 37 ASN HD21 H 3.870 -8.321 3.025 1.00 . A A . 39 ASN HD21 1 1 2 1319 1 1 37 ASN HD22 H 5.060 -7.533 3.943 1.00 . A A . 39 ASN HD22 1 1 2 1320 1 1 37 ASN N N 2.886 -4.532 0.618 1.00 . A A . 39 ASN N 1 1 2 1321 1 1 37 ASN ND2 N 4.253 -7.496 3.390 1.00 . A A . 39 ASN ND2 1 1 2 1322 1 1 37 ASN O O 1.966 -7.550 -0.785 1.00 . A A . 39 ASN O 1 1 2 1323 1 1 37 ASN OD1 O 4.160 -5.325 3.590 1.00 . A A . 39 ASN OD1 1 1 2 1324 1 1 38 ALA C C 0.210 -6.377 -2.529 1.00 . A A . 40 ALA C 1 1 2 1325 1 1 38 ALA CA C -0.411 -6.383 -1.139 1.00 . A A . 40 ALA CA 1 1 2 1326 1 1 38 ALA CB C -1.614 -5.437 -1.101 1.00 . A A . 40 ALA CB 1 1 2 1327 1 1 38 ALA H H 0.499 -5.092 0.324 1.00 . A A . 40 ALA H 1 1 2 1328 1 1 38 ALA HA H -0.717 -7.384 -0.873 1.00 . A A . 40 ALA HA 1 1 2 1329 1 1 38 ALA HB1 H -2.511 -6.004 -0.898 1.00 . A A . 40 ALA HB1 1 1 2 1330 1 1 38 ALA HB2 H -1.711 -4.940 -2.053 1.00 . A A . 40 ALA HB2 1 1 2 1331 1 1 38 ALA HB3 H -1.470 -4.701 -0.323 1.00 . A A . 40 ALA HB3 1 1 2 1332 1 1 38 ALA N N 0.635 -5.906 -0.202 1.00 . A A . 40 ALA N 1 1 2 1333 1 1 38 ALA O O -0.087 -7.205 -3.370 1.00 . A A . 40 ALA O 1 1 2 1334 1 1 39 VAL C C 2.703 -6.590 -4.212 1.00 . A A . 41 VAL C 1 1 2 1335 1 1 39 VAL CA C 1.789 -5.375 -4.070 1.00 . A A . 41 VAL CA 1 1 2 1336 1 1 39 VAL CB C 2.624 -4.095 -4.136 1.00 . A A . 41 VAL CB 1 1 2 1337 1 1 39 VAL CG1 C 3.574 -4.163 -5.332 1.00 . A A . 41 VAL CG1 1 1 2 1338 1 1 39 VAL CG2 C 1.694 -2.890 -4.294 1.00 . A A . 41 VAL CG2 1 1 2 1339 1 1 39 VAL H H 1.331 -4.812 -2.047 1.00 . A A . 41 VAL H 1 1 2 1340 1 1 39 VAL HA H 1.059 -5.375 -4.863 1.00 . A A . 41 VAL HA 1 1 2 1341 1 1 39 VAL HB H 3.198 -3.992 -3.228 1.00 . A A . 41 VAL HB 1 1 2 1342 1 1 39 VAL HG11 H 4.595 -4.181 -4.982 1.00 . A A . 41 VAL HG11 1 1 2 1343 1 1 39 VAL HG12 H 3.424 -3.299 -5.963 1.00 . A A . 41 VAL HG12 1 1 2 1344 1 1 39 VAL HG13 H 3.372 -5.060 -5.900 1.00 . A A . 41 VAL HG13 1 1 2 1345 1 1 39 VAL HG21 H 2.039 -2.084 -3.665 1.00 . A A . 41 VAL HG21 1 1 2 1346 1 1 39 VAL HG22 H 0.692 -3.170 -4.005 1.00 . A A . 41 VAL HG22 1 1 2 1347 1 1 39 VAL HG23 H 1.695 -2.568 -5.325 1.00 . A A . 41 VAL HG23 1 1 2 1348 1 1 39 VAL N N 1.102 -5.451 -2.757 1.00 . A A . 41 VAL N 1 1 2 1349 1 1 39 VAL O O 2.885 -7.122 -5.288 1.00 . A A . 41 VAL O 1 1 2 1350 1 1 40 VAL C C 3.317 -9.499 -3.231 1.00 . A A . 42 VAL C 1 1 2 1351 1 1 40 VAL CA C 4.170 -8.230 -3.203 1.00 . A A . 42 VAL CA 1 1 2 1352 1 1 40 VAL CB C 5.088 -8.262 -1.981 1.00 . A A . 42 VAL CB 1 1 2 1353 1 1 40 VAL CG1 C 5.917 -9.547 -2.001 1.00 . A A . 42 VAL CG1 1 1 2 1354 1 1 40 VAL CG2 C 6.024 -7.054 -2.019 1.00 . A A . 42 VAL CG2 1 1 2 1355 1 1 40 VAL H H 3.111 -6.599 -2.261 1.00 . A A . 42 VAL H 1 1 2 1356 1 1 40 VAL HA H 4.767 -8.176 -4.101 1.00 . A A . 42 VAL HA 1 1 2 1357 1 1 40 VAL HB H 4.491 -8.231 -1.082 1.00 . A A . 42 VAL HB 1 1 2 1358 1 1 40 VAL HG11 H 6.141 -9.816 -3.022 1.00 . A A . 42 VAL HG11 1 1 2 1359 1 1 40 VAL HG12 H 5.357 -10.342 -1.533 1.00 . A A . 42 VAL HG12 1 1 2 1360 1 1 40 VAL HG13 H 6.837 -9.389 -1.459 1.00 . A A . 42 VAL HG13 1 1 2 1361 1 1 40 VAL HG21 H 6.842 -7.254 -2.693 1.00 . A A . 42 VAL HG21 1 1 2 1362 1 1 40 VAL HG22 H 6.408 -6.868 -1.030 1.00 . A A . 42 VAL HG22 1 1 2 1363 1 1 40 VAL HG23 H 5.478 -6.186 -2.362 1.00 . A A . 42 VAL HG23 1 1 2 1364 1 1 40 VAL N N 3.276 -7.041 -3.127 1.00 . A A . 42 VAL N 1 1 2 1365 1 1 40 VAL O O 3.787 -10.569 -3.560 1.00 . A A . 42 VAL O 1 1 2 1366 1 1 41 GLU C C 0.682 -10.826 -4.326 1.00 . A A . 43 GLU C 1 1 2 1367 1 1 41 GLU CA C 1.176 -10.580 -2.898 1.00 . A A . 43 GLU CA 1 1 2 1368 1 1 41 GLU CB C -0.020 -10.335 -1.974 1.00 . A A . 43 GLU CB 1 1 2 1369 1 1 41 GLU CD C -0.758 -10.551 0.404 1.00 . A A . 43 GLU CD 1 1 2 1370 1 1 41 GLU CG C 0.449 -10.363 -0.517 1.00 . A A . 43 GLU CG 1 1 2 1371 1 1 41 GLU H H 1.704 -8.510 -2.629 1.00 . A A . 43 GLU H 1 1 2 1372 1 1 41 GLU HA H 1.728 -11.442 -2.555 1.00 . A A . 43 GLU HA 1 1 2 1373 1 1 41 GLU HB2 H -0.454 -9.372 -2.196 1.00 . A A . 43 GLU HB2 1 1 2 1374 1 1 41 GLU HB3 H -0.757 -11.109 -2.128 1.00 . A A . 43 GLU HB3 1 1 2 1375 1 1 41 GLU HG2 H 1.141 -11.179 -0.376 1.00 . A A . 43 GLU HG2 1 1 2 1376 1 1 41 GLU HG3 H 0.938 -9.430 -0.280 1.00 . A A . 43 GLU HG3 1 1 2 1377 1 1 41 GLU N N 2.062 -9.385 -2.889 1.00 . A A . 43 GLU N 1 1 2 1378 1 1 41 GLU O O 0.294 -11.921 -4.679 1.00 . A A . 43 GLU O 1 1 2 1379 1 1 41 GLU OE1 O -1.851 -10.718 -0.112 1.00 . A A . 43 GLU OE1 1 1 2 1380 1 1 41 GLU OE2 O -0.568 -10.525 1.609 1.00 . A A . 43 GLU OE2 1 1 2 1381 1 1 42 SER C C 1.450 -10.153 -7.474 1.00 . A A . 44 SER C 1 1 2 1382 1 1 42 SER CA C 0.238 -9.988 -6.554 1.00 . A A . 44 SER CA 1 1 2 1383 1 1 42 SER CB C -0.563 -8.758 -6.984 1.00 . A A . 44 SER CB 1 1 2 1384 1 1 42 SER H H 1.021 -8.938 -4.843 1.00 . A A . 44 SER H 1 1 2 1385 1 1 42 SER HA H -0.386 -10.867 -6.620 1.00 . A A . 44 SER HA 1 1 2 1386 1 1 42 SER HB2 H -0.010 -7.865 -6.745 1.00 . A A . 44 SER HB2 1 1 2 1387 1 1 42 SER HB3 H -0.736 -8.798 -8.051 1.00 . A A . 44 SER HB3 1 1 2 1388 1 1 42 SER HG H -2.170 -7.856 -6.364 1.00 . A A . 44 SER HG 1 1 2 1389 1 1 42 SER N N 0.700 -9.813 -5.150 1.00 . A A . 44 SER N 1 1 2 1390 1 1 42 SER O O 1.393 -9.865 -8.653 1.00 . A A . 44 SER O 1 1 2 1391 1 1 42 SER OG O -1.804 -8.741 -6.293 1.00 . A A . 44 SER OG 1 1 2 1392 1 1 43 ASN C C 4.383 -9.440 -8.109 1.00 . A A . 45 ASN C 1 1 2 1393 1 1 43 ASN CA C 3.766 -10.804 -7.786 1.00 . A A . 45 ASN CA 1 1 2 1394 1 1 43 ASN CB C 3.381 -11.510 -9.089 1.00 . A A . 45 ASN CB 1 1 2 1395 1 1 43 ASN CG C 4.555 -12.364 -9.575 1.00 . A A . 45 ASN CG 1 1 2 1396 1 1 43 ASN H H 2.575 -10.846 -5.991 1.00 . A A . 45 ASN H 1 1 2 1397 1 1 43 ASN HA H 4.485 -11.405 -7.252 1.00 . A A . 45 ASN HA 1 1 2 1398 1 1 43 ASN HB2 H 2.522 -12.141 -8.915 1.00 . A A . 45 ASN HB2 1 1 2 1399 1 1 43 ASN HB3 H 3.141 -10.773 -9.842 1.00 . A A . 45 ASN HB3 1 1 2 1400 1 1 43 ASN HD21 H 5.912 -11.353 -8.534 1.00 . A A . 45 ASN HD21 1 1 2 1401 1 1 43 ASN HD22 H 6.520 -12.639 -9.462 1.00 . A A . 45 ASN HD22 1 1 2 1402 1 1 43 ASN N N 2.550 -10.617 -6.944 1.00 . A A . 45 ASN N 1 1 2 1403 1 1 43 ASN ND2 N 5.762 -12.096 -9.156 1.00 . A A . 45 ASN ND2 1 1 2 1404 1 1 43 ASN O O 5.327 -9.340 -8.868 1.00 . A A . 45 ASN O 1 1 2 1405 1 1 43 ASN OD1 O 4.372 -13.287 -10.345 1.00 . A A . 45 ASN OD1 1 1 2 1406 1 1 44 GLY C C 3.657 -6.403 -8.986 1.00 . A A . 46 GLY C 1 1 2 1407 1 1 44 GLY CA C 4.416 -7.035 -7.818 1.00 . A A . 46 GLY CA 1 1 2 1408 1 1 44 GLY H H 3.095 -8.490 -6.934 1.00 . A A . 46 GLY H 1 1 2 1409 1 1 44 GLY HA2 H 4.307 -6.414 -6.939 1.00 . A A . 46 GLY HA2 1 1 2 1410 1 1 44 GLY HA3 H 5.460 -7.119 -8.074 1.00 . A A . 46 GLY HA3 1 1 2 1411 1 1 44 GLY N N 3.857 -8.389 -7.541 1.00 . A A . 46 GLY N 1 1 2 1412 1 1 44 GLY O O 4.185 -5.586 -9.714 1.00 . A A . 46 GLY O 1 1 2 1413 1 1 45 THR C C 0.621 -5.192 -9.729 1.00 . A A . 47 THR C 1 1 2 1414 1 1 45 THR CA C 1.625 -6.202 -10.288 1.00 . A A . 47 THR CA 1 1 2 1415 1 1 45 THR CB C 0.873 -7.325 -11.004 1.00 . A A . 47 THR CB 1 1 2 1416 1 1 45 THR CG2 C 1.867 -8.199 -11.773 1.00 . A A . 47 THR CG2 1 1 2 1417 1 1 45 THR H H 2.016 -7.439 -8.570 1.00 . A A . 47 THR H 1 1 2 1418 1 1 45 THR HA H 2.285 -5.708 -10.985 1.00 . A A . 47 THR HA 1 1 2 1419 1 1 45 THR HB H 0.163 -6.902 -11.697 1.00 . A A . 47 THR HB 1 1 2 1420 1 1 45 THR HG1 H 0.222 -9.033 -10.336 1.00 . A A . 47 THR HG1 1 1 2 1421 1 1 45 THR HG21 H 2.790 -8.269 -11.217 1.00 . A A . 47 THR HG21 1 1 2 1422 1 1 45 THR HG22 H 2.061 -7.755 -12.740 1.00 . A A . 47 THR HG22 1 1 2 1423 1 1 45 THR HG23 H 1.451 -9.185 -11.906 1.00 . A A . 47 THR HG23 1 1 2 1424 1 1 45 THR N N 2.421 -6.778 -9.169 1.00 . A A . 47 THR N 1 1 2 1425 1 1 45 THR O O -0.425 -4.960 -10.300 1.00 . A A . 47 THR O 1 1 2 1426 1 1 45 THR OG1 O 0.186 -8.119 -10.045 1.00 . A A . 47 THR OG1 1 1 2 1427 1 1 46 LEU C C 0.681 -2.238 -7.901 1.00 . A A . 48 LEU C 1 1 2 1428 1 1 46 LEU CA C -0.009 -3.600 -8.015 1.00 . A A . 48 LEU CA 1 1 2 1429 1 1 46 LEU CB C -0.428 -4.074 -6.623 1.00 . A A . 48 LEU CB 1 1 2 1430 1 1 46 LEU CD1 C -2.603 -5.141 -7.240 1.00 . A A . 48 LEU CD1 1 1 2 1431 1 1 46 LEU CD2 C -2.335 -4.047 -5.011 1.00 . A A . 48 LEU CD2 1 1 2 1432 1 1 46 LEU CG C -1.948 -3.979 -6.489 1.00 . A A . 48 LEU CG 1 1 2 1433 1 1 46 LEU H H 1.779 -4.793 -8.166 1.00 . A A . 48 LEU H 1 1 2 1434 1 1 46 LEU HA H -0.884 -3.509 -8.642 1.00 . A A . 48 LEU HA 1 1 2 1435 1 1 46 LEU HB2 H -0.115 -5.099 -6.482 1.00 . A A . 48 LEU HB2 1 1 2 1436 1 1 46 LEU HB3 H 0.037 -3.450 -5.875 1.00 . A A . 48 LEU HB3 1 1 2 1437 1 1 46 LEU HD11 H -1.891 -5.946 -7.348 1.00 . A A . 48 LEU HD11 1 1 2 1438 1 1 46 LEU HD12 H -2.919 -4.807 -8.216 1.00 . A A . 48 LEU HD12 1 1 2 1439 1 1 46 LEU HD13 H -3.459 -5.491 -6.684 1.00 . A A . 48 LEU HD13 1 1 2 1440 1 1 46 LEU HD21 H -2.634 -5.055 -4.764 1.00 . A A . 48 LEU HD21 1 1 2 1441 1 1 46 LEU HD22 H -3.157 -3.373 -4.823 1.00 . A A . 48 LEU HD22 1 1 2 1442 1 1 46 LEU HD23 H -1.488 -3.762 -4.404 1.00 . A A . 48 LEU HD23 1 1 2 1443 1 1 46 LEU HG H -2.288 -3.044 -6.910 1.00 . A A . 48 LEU HG 1 1 2 1444 1 1 46 LEU N N 0.930 -4.592 -8.613 1.00 . A A . 48 LEU N 1 1 2 1445 1 1 46 LEU O O 1.865 -2.150 -7.644 1.00 . A A . 48 LEU O 1 1 2 1446 1 1 47 THR C C -0.330 1.067 -7.107 1.00 . A A . 49 THR C 1 1 2 1447 1 1 47 THR CA C 0.550 0.181 -7.986 1.00 . A A . 49 THR CA 1 1 2 1448 1 1 47 THR CB C 0.670 0.797 -9.384 1.00 . A A . 49 THR CB 1 1 2 1449 1 1 47 THR CG2 C 1.340 -0.201 -10.329 1.00 . A A . 49 THR CG2 1 1 2 1450 1 1 47 THR H H -1.010 -1.272 -8.288 1.00 . A A . 49 THR H 1 1 2 1451 1 1 47 THR HA H 1.529 0.111 -7.543 1.00 . A A . 49 THR HA 1 1 2 1452 1 1 47 THR HB H 1.270 1.692 -9.332 1.00 . A A . 49 THR HB 1 1 2 1453 1 1 47 THR HG1 H -0.622 0.989 -10.825 1.00 . A A . 49 THR HG1 1 1 2 1454 1 1 47 THR HG21 H 0.652 -1.003 -10.552 1.00 . A A . 49 THR HG21 1 1 2 1455 1 1 47 THR HG22 H 2.225 -0.606 -9.860 1.00 . A A . 49 THR HG22 1 1 2 1456 1 1 47 THR HG23 H 1.617 0.300 -11.245 1.00 . A A . 49 THR HG23 1 1 2 1457 1 1 47 THR N N -0.056 -1.176 -8.087 1.00 . A A . 49 THR N 1 1 2 1458 1 1 47 THR O O -0.992 0.604 -6.202 1.00 . A A . 49 THR O 1 1 2 1459 1 1 47 THR OG1 O -0.624 1.121 -9.873 1.00 . A A . 49 THR OG1 1 1 2 1460 1 1 48 LEU C C -2.215 3.928 -7.449 1.00 . A A . 50 LEU C 1 1 2 1461 1 1 48 LEU CA C -1.157 3.279 -6.555 1.00 . A A . 50 LEU CA 1 1 2 1462 1 1 48 LEU CB C -0.259 4.372 -5.964 1.00 . A A . 50 LEU CB 1 1 2 1463 1 1 48 LEU CD1 C -0.723 5.329 -3.700 1.00 . A A . 50 LEU CD1 1 1 2 1464 1 1 48 LEU CD2 C -0.857 6.781 -5.729 1.00 . A A . 50 LEU CD2 1 1 2 1465 1 1 48 LEU CG C -1.108 5.375 -5.181 1.00 . A A . 50 LEU CG 1 1 2 1466 1 1 48 LEU H H 0.219 2.680 -8.097 1.00 . A A . 50 LEU H 1 1 2 1467 1 1 48 LEU HA H -1.640 2.738 -5.756 1.00 . A A . 50 LEU HA 1 1 2 1468 1 1 48 LEU HB2 H 0.465 3.922 -5.303 1.00 . A A . 50 LEU HB2 1 1 2 1469 1 1 48 LEU HB3 H 0.252 4.886 -6.764 1.00 . A A . 50 LEU HB3 1 1 2 1470 1 1 48 LEU HD11 H -0.707 4.303 -3.362 1.00 . A A . 50 LEU HD11 1 1 2 1471 1 1 48 LEU HD12 H -1.447 5.885 -3.123 1.00 . A A . 50 LEU HD12 1 1 2 1472 1 1 48 LEU HD13 H 0.255 5.767 -3.569 1.00 . A A . 50 LEU HD13 1 1 2 1473 1 1 48 LEU HD21 H 0.169 7.059 -5.545 1.00 . A A . 50 LEU HD21 1 1 2 1474 1 1 48 LEU HD22 H -1.515 7.483 -5.238 1.00 . A A . 50 LEU HD22 1 1 2 1475 1 1 48 LEU HD23 H -1.047 6.792 -6.792 1.00 . A A . 50 LEU HD23 1 1 2 1476 1 1 48 LEU HG H -2.151 5.126 -5.288 1.00 . A A . 50 LEU HG 1 1 2 1477 1 1 48 LEU N N -0.331 2.340 -7.367 1.00 . A A . 50 LEU N 1 1 2 1478 1 1 48 LEU O O -1.999 4.151 -8.623 1.00 . A A . 50 LEU O 1 1 2 1479 1 1 49 SER C C -4.735 6.255 -7.100 1.00 . A A . 51 SER C 1 1 2 1480 1 1 49 SER CA C -4.416 4.891 -7.709 1.00 . A A . 51 SER CA 1 1 2 1481 1 1 49 SER CB C -5.670 4.018 -7.708 1.00 . A A . 51 SER CB 1 1 2 1482 1 1 49 SER H H -3.502 4.067 -5.946 1.00 . A A . 51 SER H 1 1 2 1483 1 1 49 SER HA H -4.065 5.023 -8.724 1.00 . A A . 51 SER HA 1 1 2 1484 1 1 49 SER HB2 H -5.439 3.051 -7.298 1.00 . A A . 51 SER HB2 1 1 2 1485 1 1 49 SER HB3 H -6.434 4.490 -7.105 1.00 . A A . 51 SER HB3 1 1 2 1486 1 1 49 SER HG H -6.856 3.230 -9.036 1.00 . A A . 51 SER HG 1 1 2 1487 1 1 49 SER N N -3.351 4.245 -6.897 1.00 . A A . 51 SER N 1 1 2 1488 1 1 49 SER O O -5.095 7.187 -7.790 1.00 . A A . 51 SER O 1 1 2 1489 1 1 49 SER OG O -6.134 3.862 -9.044 1.00 . A A . 51 SER OG 1 1 2 1490 1 1 50 HIS C C -4.700 7.544 -3.634 1.00 . A A . 52 HIS C 1 1 2 1491 1 1 50 HIS CA C -4.882 7.684 -5.154 1.00 . A A . 52 HIS CA 1 1 2 1492 1 1 50 HIS CB C -6.319 8.127 -5.519 1.00 . A A . 52 HIS CB 1 1 2 1493 1 1 50 HIS CD2 C -6.929 9.398 -3.296 1.00 . A A . 52 HIS CD2 1 1 2 1494 1 1 50 HIS CE1 C -8.756 8.337 -2.814 1.00 . A A . 52 HIS CE1 1 1 2 1495 1 1 50 HIS CG C -7.122 8.469 -4.287 1.00 . A A . 52 HIS CG 1 1 2 1496 1 1 50 HIS H H -4.297 5.616 -5.267 1.00 . A A . 52 HIS H 1 1 2 1497 1 1 50 HIS HA H -4.179 8.417 -5.523 1.00 . A A . 52 HIS HA 1 1 2 1498 1 1 50 HIS HB2 H -6.268 8.996 -6.158 1.00 . A A . 52 HIS HB2 1 1 2 1499 1 1 50 HIS HB3 H -6.809 7.326 -6.051 1.00 . A A . 52 HIS HB3 1 1 2 1500 1 1 50 HIS HD1 H -8.708 7.077 -4.470 1.00 . A A . 52 HIS HD1 1 1 2 1501 1 1 50 HIS HD2 H -6.101 10.090 -3.242 1.00 . A A . 52 HIS HD2 1 1 2 1502 1 1 50 HIS HE1 H -9.657 8.012 -2.315 1.00 . A A . 52 HIS HE1 1 1 2 1503 1 1 50 HIS N N -4.596 6.380 -5.806 1.00 . A A . 52 HIS N 1 1 2 1504 1 1 50 HIS ND1 N -8.293 7.804 -3.960 1.00 . A A . 52 HIS ND1 1 1 2 1505 1 1 50 HIS NE2 N -7.960 9.313 -2.366 1.00 . A A . 52 HIS NE2 1 1 2 1506 1 1 50 HIS O O -5.524 6.978 -2.944 1.00 . A A . 52 HIS O 1 1 2 1507 1 1 51 PHE C C -4.656 8.324 -0.890 1.00 . A A . 53 PHE C 1 1 2 1508 1 1 51 PHE CA C -3.373 7.980 -1.651 1.00 . A A . 53 PHE CA 1 1 2 1509 1 1 51 PHE CB C -2.277 8.978 -1.280 1.00 . A A . 53 PHE CB 1 1 2 1510 1 1 51 PHE CD1 C -0.598 8.768 -3.148 1.00 . A A . 53 PHE CD1 1 1 2 1511 1 1 51 PHE CD2 C -0.070 7.798 -0.991 1.00 . A A . 53 PHE CD2 1 1 2 1512 1 1 51 PHE CE1 C 0.633 8.330 -3.647 1.00 . A A . 53 PHE CE1 1 1 2 1513 1 1 51 PHE CE2 C 1.163 7.358 -1.490 1.00 . A A . 53 PHE CE2 1 1 2 1514 1 1 51 PHE CG C -0.950 8.502 -1.820 1.00 . A A . 53 PHE CG 1 1 2 1515 1 1 51 PHE CZ C 1.513 7.624 -2.818 1.00 . A A . 53 PHE CZ 1 1 2 1516 1 1 51 PHE H H -2.975 8.518 -3.690 1.00 . A A . 53 PHE H 1 1 2 1517 1 1 51 PHE HA H -3.053 6.982 -1.394 1.00 . A A . 53 PHE HA 1 1 2 1518 1 1 51 PHE HB2 H -2.513 9.943 -1.704 1.00 . A A . 53 PHE HB2 1 1 2 1519 1 1 51 PHE HB3 H -2.219 9.063 -0.210 1.00 . A A . 53 PHE HB3 1 1 2 1520 1 1 51 PHE HD1 H -1.277 9.313 -3.788 1.00 . A A . 53 PHE HD1 1 1 2 1521 1 1 51 PHE HD2 H -0.342 7.593 0.034 1.00 . A A . 53 PHE HD2 1 1 2 1522 1 1 51 PHE HE1 H 0.904 8.536 -4.671 1.00 . A A . 53 PHE HE1 1 1 2 1523 1 1 51 PHE HE2 H 1.841 6.814 -0.850 1.00 . A A . 53 PHE HE2 1 1 2 1524 1 1 51 PHE HZ H 2.464 7.284 -3.204 1.00 . A A . 53 PHE HZ 1 1 2 1525 1 1 51 PHE N N -3.623 8.064 -3.114 1.00 . A A . 53 PHE N 1 1 2 1526 1 1 51 PHE O O -4.945 9.473 -0.626 1.00 . A A . 53 PHE O 1 1 2 1527 1 1 52 GLY C C -7.728 6.543 -0.196 1.00 . A A . 54 GLY C 1 1 2 1528 1 1 52 GLY CA C -6.694 7.593 0.205 1.00 . A A . 54 GLY CA 1 1 2 1529 1 1 52 GLY H H -5.174 6.413 -0.762 1.00 . A A . 54 GLY H 1 1 2 1530 1 1 52 GLY HA2 H -6.507 7.533 1.269 1.00 . A A . 54 GLY HA2 1 1 2 1531 1 1 52 GLY HA3 H -7.065 8.575 -0.045 1.00 . A A . 54 GLY HA3 1 1 2 1532 1 1 52 GLY N N -5.427 7.332 -0.537 1.00 . A A . 54 GLY N 1 1 2 1533 1 1 52 GLY O O -7.731 6.061 -1.310 1.00 . A A . 54 GLY O 1 1 2 1534 1 1 53 LYS C C -10.381 5.583 -0.903 1.00 . A A . 55 LYS C 1 1 2 1535 1 1 53 LYS CA C -9.628 5.153 0.357 1.00 . A A . 55 LYS CA 1 1 2 1536 1 1 53 LYS CB C -10.606 4.997 1.526 1.00 . A A . 55 LYS CB 1 1 2 1537 1 1 53 LYS CD C -12.679 5.919 2.574 1.00 . A A . 55 LYS CD 1 1 2 1538 1 1 53 LYS CE C -12.108 5.744 3.982 1.00 . A A . 55 LYS CE 1 1 2 1539 1 1 53 LYS CG C -11.544 6.205 1.588 1.00 . A A . 55 LYS CG 1 1 2 1540 1 1 53 LYS H H -8.589 6.577 1.592 1.00 . A A . 55 LYS H 1 1 2 1541 1 1 53 LYS HA H -9.138 4.209 0.173 1.00 . A A . 55 LYS HA 1 1 2 1542 1 1 53 LYS HB2 H -11.186 4.097 1.392 1.00 . A A . 55 LYS HB2 1 1 2 1543 1 1 53 LYS HB3 H -10.051 4.930 2.450 1.00 . A A . 55 LYS HB3 1 1 2 1544 1 1 53 LYS HD2 H -13.376 6.744 2.567 1.00 . A A . 55 LYS HD2 1 1 2 1545 1 1 53 LYS HD3 H -13.191 5.015 2.280 1.00 . A A . 55 LYS HD3 1 1 2 1546 1 1 53 LYS HE2 H -11.048 5.547 3.918 1.00 . A A . 55 LYS HE2 1 1 2 1547 1 1 53 LYS HE3 H -12.273 6.646 4.552 1.00 . A A . 55 LYS HE3 1 1 2 1548 1 1 53 LYS HG2 H -10.991 7.073 1.914 1.00 . A A . 55 LYS HG2 1 1 2 1549 1 1 53 LYS HG3 H -11.961 6.390 0.610 1.00 . A A . 55 LYS HG3 1 1 2 1550 1 1 53 LYS HZ1 H -13.151 3.943 3.933 1.00 . A A . 55 LYS HZ1 1 1 2 1551 1 1 53 LYS HZ2 H -13.579 4.957 5.227 1.00 . A A . 55 LYS HZ2 1 1 2 1552 1 1 53 LYS HZ3 H -12.110 4.104 5.262 1.00 . A A . 55 LYS HZ3 1 1 2 1553 1 1 53 LYS N N -8.605 6.178 0.698 1.00 . A A . 55 LYS N 1 1 2 1554 1 1 53 LYS NZ N -12.789 4.600 4.652 1.00 . A A . 55 LYS NZ 1 1 2 1555 1 1 53 LYS O O -10.755 6.730 -1.056 1.00 . A A . 55 LYS O 1 1 2 1556 1 1 54 CYS C C -12.835 4.945 -2.817 1.00 . A A . 56 CYS C 1 1 2 1557 1 1 54 CYS CA C -11.327 5.033 -3.062 1.00 . A A . 56 CYS CA 1 1 2 1558 1 1 54 CYS CB C -10.932 4.063 -4.178 1.00 . A A . 56 CYS CB 1 1 2 1559 1 1 54 CYS H H -10.288 3.755 -1.673 1.00 . A A . 56 CYS H 1 1 2 1560 1 1 54 CYS HA H -11.067 6.040 -3.353 1.00 . A A . 56 CYS HA 1 1 2 1561 1 1 54 CYS HB2 H -10.589 3.136 -3.744 1.00 . A A . 56 CYS HB2 1 1 2 1562 1 1 54 CYS HB3 H -11.786 3.872 -4.809 1.00 . A A . 56 CYS HB3 1 1 2 1563 1 1 54 CYS N N -10.602 4.673 -1.812 1.00 . A A . 56 CYS N 1 1 2 1564 1 1 54 CYS O O -13.455 4.058 -3.380 1.00 . A A . 56 CYS O 1 1 2 1565 1 1 54 CYS OXT O -13.342 5.765 -2.070 1.00 . A A . 56 CYS OXT 1 1 2 1566 1 1 54 CYS SG S -9.603 4.792 -5.168 1.00 . A A . 56 CYS SG 1 1 3 1567 1 1 1 ALA C C -0.693 3.699 -2.988 1.00 . A A . 3 ALA C 1 1 3 1568 1 1 1 ALA CA C -1.714 2.565 -2.984 1.00 . A A . 3 ALA CA 1 1 3 1569 1 1 1 ALA CB C -3.118 3.164 -3.015 1.00 . A A . 3 ALA CB 1 1 3 1570 1 1 1 ALA H1 H -1.979 0.817 -1.892 1.00 . A A . 3 ALA H1 1 1 3 1571 1 1 1 ALA H2 H -2.027 2.229 -0.956 1.00 . A A . 3 ALA H2 1 1 3 1572 1 1 1 ALA H3 H -0.546 1.645 -1.530 1.00 . A A . 3 ALA H3 1 1 3 1573 1 1 1 ALA HA H -1.567 1.941 -3.852 1.00 . A A . 3 ALA HA 1 1 3 1574 1 1 1 ALA HB1 H -3.096 4.151 -2.577 1.00 . A A . 3 ALA HB1 1 1 3 1575 1 1 1 ALA HB2 H -3.790 2.535 -2.451 1.00 . A A . 3 ALA HB2 1 1 3 1576 1 1 1 ALA HB3 H -3.459 3.233 -4.038 1.00 . A A . 3 ALA HB3 1 1 3 1577 1 1 1 ALA N N -1.554 1.752 -1.747 1.00 . A A . 3 ALA N 1 1 3 1578 1 1 1 ALA O O -1.042 4.848 -2.820 1.00 . A A . 3 ALA O 1 1 3 1579 1 1 2 VAL C C 2.784 4.092 -4.042 1.00 . A A . 4 VAL C 1 1 3 1580 1 1 2 VAL CA C 1.585 4.485 -3.180 1.00 . A A . 4 VAL CA 1 1 3 1581 1 1 2 VAL CB C 2.038 4.743 -1.747 1.00 . A A . 4 VAL CB 1 1 3 1582 1 1 2 VAL CG1 C 3.165 5.779 -1.734 1.00 . A A . 4 VAL CG1 1 1 3 1583 1 1 2 VAL CG2 C 0.844 5.266 -0.953 1.00 . A A . 4 VAL CG2 1 1 3 1584 1 1 2 VAL H H 0.835 2.466 -3.305 1.00 . A A . 4 VAL H 1 1 3 1585 1 1 2 VAL HA H 1.141 5.387 -3.578 1.00 . A A . 4 VAL HA 1 1 3 1586 1 1 2 VAL HB H 2.390 3.821 -1.307 1.00 . A A . 4 VAL HB 1 1 3 1587 1 1 2 VAL HG11 H 2.749 6.759 -1.562 1.00 . A A . 4 VAL HG11 1 1 3 1588 1 1 2 VAL HG12 H 3.679 5.767 -2.682 1.00 . A A . 4 VAL HG12 1 1 3 1589 1 1 2 VAL HG13 H 3.862 5.542 -0.944 1.00 . A A . 4 VAL HG13 1 1 3 1590 1 1 2 VAL HG21 H 0.248 4.432 -0.612 1.00 . A A . 4 VAL HG21 1 1 3 1591 1 1 2 VAL HG22 H 0.243 5.899 -1.589 1.00 . A A . 4 VAL HG22 1 1 3 1592 1 1 2 VAL HG23 H 1.193 5.832 -0.107 1.00 . A A . 4 VAL HG23 1 1 3 1593 1 1 2 VAL N N 0.565 3.398 -3.173 1.00 . A A . 4 VAL N 1 1 3 1594 1 1 2 VAL O O 3.239 2.969 -4.014 1.00 . A A . 4 VAL O 1 1 3 1595 1 1 3 SER C C 5.766 4.898 -4.828 1.00 . A A . 5 SER C 1 1 3 1596 1 1 3 SER CA C 4.494 4.694 -5.651 1.00 . A A . 5 SER CA 1 1 3 1597 1 1 3 SER CB C 4.523 5.619 -6.868 1.00 . A A . 5 SER CB 1 1 3 1598 1 1 3 SER H H 2.938 5.920 -4.802 1.00 . A A . 5 SER H 1 1 3 1599 1 1 3 SER HA H 4.436 3.665 -5.976 1.00 . A A . 5 SER HA 1 1 3 1600 1 1 3 SER HB2 H 5.538 5.920 -7.069 1.00 . A A . 5 SER HB2 1 1 3 1601 1 1 3 SER HB3 H 4.132 5.091 -7.728 1.00 . A A . 5 SER HB3 1 1 3 1602 1 1 3 SER HG H 2.813 6.505 -6.601 1.00 . A A . 5 SER HG 1 1 3 1603 1 1 3 SER N N 3.311 5.016 -4.800 1.00 . A A . 5 SER N 1 1 3 1604 1 1 3 SER O O 6.667 5.610 -5.225 1.00 . A A . 5 SER O 1 1 3 1605 1 1 3 SER OG O 3.736 6.771 -6.603 1.00 . A A . 5 SER OG 1 1 3 1606 1 1 4 VAL C C 7.916 3.178 -2.948 1.00 . A A . 6 VAL C 1 1 3 1607 1 1 4 VAL CA C 7.051 4.439 -2.829 1.00 . A A . 6 VAL CA 1 1 3 1608 1 1 4 VAL CB C 6.603 4.697 -1.373 1.00 . A A . 6 VAL CB 1 1 3 1609 1 1 4 VAL CG1 C 7.199 3.662 -0.407 1.00 . A A . 6 VAL CG1 1 1 3 1610 1 1 4 VAL CG2 C 7.062 6.094 -0.952 1.00 . A A . 6 VAL CG2 1 1 3 1611 1 1 4 VAL H H 5.102 3.714 -3.380 1.00 . A A . 6 VAL H 1 1 3 1612 1 1 4 VAL HA H 7.620 5.289 -3.179 1.00 . A A . 6 VAL HA 1 1 3 1613 1 1 4 VAL HB H 5.525 4.648 -1.322 1.00 . A A . 6 VAL HB 1 1 3 1614 1 1 4 VAL HG11 H 6.767 3.795 0.574 1.00 . A A . 6 VAL HG11 1 1 3 1615 1 1 4 VAL HG12 H 8.269 3.796 -0.349 1.00 . A A . 6 VAL HG12 1 1 3 1616 1 1 4 VAL HG13 H 6.980 2.667 -0.764 1.00 . A A . 6 VAL HG13 1 1 3 1617 1 1 4 VAL HG21 H 7.960 6.015 -0.359 1.00 . A A . 6 VAL HG21 1 1 3 1618 1 1 4 VAL HG22 H 6.285 6.567 -0.368 1.00 . A A . 6 VAL HG22 1 1 3 1619 1 1 4 VAL HG23 H 7.261 6.688 -1.832 1.00 . A A . 6 VAL HG23 1 1 3 1620 1 1 4 VAL N N 5.843 4.281 -3.683 1.00 . A A . 6 VAL N 1 1 3 1621 1 1 4 VAL O O 7.535 2.206 -3.570 1.00 . A A . 6 VAL O 1 1 3 1622 1 1 5 ASP C C 9.416 0.846 -1.645 1.00 . A A . 7 ASP C 1 1 3 1623 1 1 5 ASP CA C 9.984 2.013 -2.460 1.00 . A A . 7 ASP CA 1 1 3 1624 1 1 5 ASP CB C 11.367 2.384 -1.917 1.00 . A A . 7 ASP CB 1 1 3 1625 1 1 5 ASP CG C 12.414 1.432 -2.499 1.00 . A A . 7 ASP CG 1 1 3 1626 1 1 5 ASP H H 9.375 3.999 -1.885 1.00 . A A . 7 ASP H 1 1 3 1627 1 1 5 ASP HA H 10.076 1.713 -3.492 1.00 . A A . 7 ASP HA 1 1 3 1628 1 1 5 ASP HB2 H 11.604 3.400 -2.201 1.00 . A A . 7 ASP HB2 1 1 3 1629 1 1 5 ASP HB3 H 11.366 2.301 -0.840 1.00 . A A . 7 ASP HB3 1 1 3 1630 1 1 5 ASP N N 9.085 3.198 -2.370 1.00 . A A . 7 ASP N 1 1 3 1631 1 1 5 ASP O O 9.763 0.649 -0.499 1.00 . A A . 7 ASP O 1 1 3 1632 1 1 5 ASP OD1 O 12.279 1.069 -3.656 1.00 . A A . 7 ASP OD1 1 1 3 1633 1 1 5 ASP OD2 O 13.334 1.084 -1.777 1.00 . A A . 7 ASP OD2 1 1 3 1634 1 1 6 CYS C C 8.891 -2.325 -1.722 1.00 . A A . 8 CYS C 1 1 3 1635 1 1 6 CYS CA C 7.984 -1.109 -1.510 1.00 . A A . 8 CYS CA 1 1 3 1636 1 1 6 CYS CB C 6.591 -1.425 -2.064 1.00 . A A . 8 CYS CB 1 1 3 1637 1 1 6 CYS H H 8.300 0.231 -3.169 1.00 . A A . 8 CYS H 1 1 3 1638 1 1 6 CYS HA H 7.913 -0.886 -0.456 1.00 . A A . 8 CYS HA 1 1 3 1639 1 1 6 CYS HB2 H 6.566 -1.192 -3.118 1.00 . A A . 8 CYS HB2 1 1 3 1640 1 1 6 CYS HB3 H 6.380 -2.475 -1.924 1.00 . A A . 8 CYS HB3 1 1 3 1641 1 1 6 CYS N N 8.558 0.060 -2.239 1.00 . A A . 8 CYS N 1 1 3 1642 1 1 6 CYS O O 8.435 -3.450 -1.769 1.00 . A A . 8 CYS O 1 1 3 1643 1 1 6 CYS SG S 5.342 -0.441 -1.200 1.00 . A A . 8 CYS SG 1 1 3 1644 1 1 7 SER C C 11.586 -3.805 -0.748 1.00 . A A . 9 SER C 1 1 3 1645 1 1 7 SER CA C 11.104 -3.250 -2.091 1.00 . A A . 9 SER CA 1 1 3 1646 1 1 7 SER CB C 12.306 -2.771 -2.905 1.00 . A A . 9 SER CB 1 1 3 1647 1 1 7 SER H H 10.519 -1.193 -1.835 1.00 . A A . 9 SER H 1 1 3 1648 1 1 7 SER HA H 10.591 -4.029 -2.636 1.00 . A A . 9 SER HA 1 1 3 1649 1 1 7 SER HB2 H 12.718 -1.885 -2.453 1.00 . A A . 9 SER HB2 1 1 3 1650 1 1 7 SER HB3 H 13.060 -3.547 -2.923 1.00 . A A . 9 SER HB3 1 1 3 1651 1 1 7 SER HG H 11.246 -3.130 -4.496 1.00 . A A . 9 SER HG 1 1 3 1652 1 1 7 SER N N 10.172 -2.108 -1.866 1.00 . A A . 9 SER N 1 1 3 1653 1 1 7 SER O O 12.245 -4.823 -0.691 1.00 . A A . 9 SER O 1 1 3 1654 1 1 7 SER OG O 11.887 -2.467 -4.228 1.00 . A A . 9 SER OG 1 1 3 1655 1 1 8 GLU C C 10.631 -4.586 2.232 1.00 . A A . 10 GLU C 1 1 3 1656 1 1 8 GLU CA C 11.704 -3.653 1.665 1.00 . A A . 10 GLU CA 1 1 3 1657 1 1 8 GLU CB C 11.911 -2.470 2.612 1.00 . A A . 10 GLU CB 1 1 3 1658 1 1 8 GLU CD C 13.788 -0.831 2.814 1.00 . A A . 10 GLU CD 1 1 3 1659 1 1 8 GLU CG C 12.698 -1.375 1.890 1.00 . A A . 10 GLU CG 1 1 3 1660 1 1 8 GLU H H 10.726 -2.332 0.269 1.00 . A A . 10 GLU H 1 1 3 1661 1 1 8 GLU HA H 12.632 -4.195 1.555 1.00 . A A . 10 GLU HA 1 1 3 1662 1 1 8 GLU HB2 H 10.950 -2.082 2.919 1.00 . A A . 10 GLU HB2 1 1 3 1663 1 1 8 GLU HB3 H 12.464 -2.796 3.481 1.00 . A A . 10 GLU HB3 1 1 3 1664 1 1 8 GLU HG2 H 13.152 -1.787 1.000 1.00 . A A . 10 GLU HG2 1 1 3 1665 1 1 8 GLU HG3 H 12.030 -0.574 1.614 1.00 . A A . 10 GLU HG3 1 1 3 1666 1 1 8 GLU N N 11.261 -3.150 0.333 1.00 . A A . 10 GLU N 1 1 3 1667 1 1 8 GLU O O 10.389 -4.627 3.422 1.00 . A A . 10 GLU O 1 1 3 1668 1 1 8 GLU OE1 O 14.311 -1.603 3.601 1.00 . A A . 10 GLU OE1 1 1 3 1669 1 1 8 GLU OE2 O 14.085 0.348 2.718 1.00 . A A . 10 GLU OE2 1 1 3 1670 1 1 9 TYR C C 9.204 -7.658 1.288 1.00 . A A . 11 TYR C 1 1 3 1671 1 1 9 TYR CA C 8.914 -6.258 1.839 1.00 . A A . 11 TYR CA 1 1 3 1672 1 1 9 TYR CB C 7.571 -5.740 1.311 1.00 . A A . 11 TYR CB 1 1 3 1673 1 1 9 TYR CD1 C 7.762 -3.408 2.226 1.00 . A A . 11 TYR CD1 1 1 3 1674 1 1 9 TYR CD2 C 5.983 -4.836 3.057 1.00 . A A . 11 TYR CD2 1 1 3 1675 1 1 9 TYR CE1 C 7.332 -2.377 3.069 1.00 . A A . 11 TYR CE1 1 1 3 1676 1 1 9 TYR CE2 C 5.555 -3.800 3.903 1.00 . A A . 11 TYR CE2 1 1 3 1677 1 1 9 TYR CG C 7.090 -4.636 2.219 1.00 . A A . 11 TYR CG 1 1 3 1678 1 1 9 TYR CZ C 6.230 -2.573 3.906 1.00 . A A . 11 TYR CZ 1 1 3 1679 1 1 9 TYR H H 10.194 -5.268 0.422 1.00 . A A . 11 TYR H 1 1 3 1680 1 1 9 TYR HA H 8.895 -6.286 2.918 1.00 . A A . 11 TYR HA 1 1 3 1681 1 1 9 TYR HB2 H 7.708 -5.351 0.313 1.00 . A A . 11 TYR HB2 1 1 3 1682 1 1 9 TYR HB3 H 6.847 -6.536 1.287 1.00 . A A . 11 TYR HB3 1 1 3 1683 1 1 9 TYR HD1 H 8.614 -3.256 1.581 1.00 . A A . 11 TYR HD1 1 1 3 1684 1 1 9 TYR HD2 H 5.462 -5.784 3.054 1.00 . A A . 11 TYR HD2 1 1 3 1685 1 1 9 TYR HE1 H 7.851 -1.430 3.074 1.00 . A A . 11 TYR HE1 1 1 3 1686 1 1 9 TYR HE2 H 4.702 -3.944 4.548 1.00 . A A . 11 TYR HE2 1 1 3 1687 1 1 9 TYR HH H 5.971 -0.723 4.294 1.00 . A A . 11 TYR HH 1 1 3 1688 1 1 9 TYR N N 9.982 -5.327 1.377 1.00 . A A . 11 TYR N 1 1 3 1689 1 1 9 TYR O O 10.060 -7.815 0.440 1.00 . A A . 11 TYR O 1 1 3 1690 1 1 9 TYR OH O 5.813 -1.557 4.741 1.00 . A A . 11 TYR OH 1 1 3 1691 1 1 10 PRO C C 8.050 -8.400 4.214 1.00 . A A . 12 PRO C 1 1 3 1692 1 1 10 PRO CA C 7.442 -8.469 2.811 1.00 . A A . 12 PRO CA 1 1 3 1693 1 1 10 PRO CB C 6.596 -9.737 2.670 1.00 . A A . 12 PRO CB 1 1 3 1694 1 1 10 PRO CD C 8.656 -10.035 1.326 1.00 . A A . 12 PRO CD 1 1 3 1695 1 1 10 PRO CG C 7.506 -10.799 2.006 1.00 . A A . 12 PRO CG 1 1 3 1696 1 1 10 PRO HA H 6.840 -7.604 2.618 1.00 . A A . 12 PRO HA 1 1 3 1697 1 1 10 PRO HB2 H 6.271 -10.076 3.645 1.00 . A A . 12 PRO HB2 1 1 3 1698 1 1 10 PRO HB3 H 5.743 -9.545 2.038 1.00 . A A . 12 PRO HB3 1 1 3 1699 1 1 10 PRO HD2 H 9.612 -10.427 1.645 1.00 . A A . 12 PRO HD2 1 1 3 1700 1 1 10 PRO HD3 H 8.564 -10.090 0.251 1.00 . A A . 12 PRO HD3 1 1 3 1701 1 1 10 PRO HG2 H 7.898 -11.470 2.759 1.00 . A A . 12 PRO HG2 1 1 3 1702 1 1 10 PRO HG3 H 6.950 -11.355 1.268 1.00 . A A . 12 PRO HG3 1 1 3 1703 1 1 10 PRO N N 8.487 -8.641 1.779 1.00 . A A . 12 PRO N 1 1 3 1704 1 1 10 PRO O O 9.195 -8.747 4.430 1.00 . A A . 12 PRO O 1 1 3 1705 1 1 11 LYS C C 6.898 -8.739 7.480 1.00 . A A . 13 LYS C 1 1 3 1706 1 1 11 LYS CA C 7.787 -7.884 6.568 1.00 . A A . 13 LYS CA 1 1 3 1707 1 1 11 LYS CB C 7.760 -6.429 7.040 1.00 . A A . 13 LYS CB 1 1 3 1708 1 1 11 LYS CD C 8.959 -4.243 6.903 1.00 . A A . 13 LYS CD 1 1 3 1709 1 1 11 LYS CE C 10.425 -3.987 7.252 1.00 . A A . 13 LYS CE 1 1 3 1710 1 1 11 LYS CG C 8.822 -5.632 6.280 1.00 . A A . 13 LYS CG 1 1 3 1711 1 1 11 LYS H H 6.353 -7.700 4.971 1.00 . A A . 13 LYS H 1 1 3 1712 1 1 11 LYS HA H 8.800 -8.257 6.604 1.00 . A A . 13 LYS HA 1 1 3 1713 1 1 11 LYS HB2 H 6.785 -6.007 6.850 1.00 . A A . 13 LYS HB2 1 1 3 1714 1 1 11 LYS HB3 H 7.971 -6.389 8.097 1.00 . A A . 13 LYS HB3 1 1 3 1715 1 1 11 LYS HD2 H 8.619 -3.497 6.199 1.00 . A A . 13 LYS HD2 1 1 3 1716 1 1 11 LYS HD3 H 8.363 -4.187 7.800 1.00 . A A . 13 LYS HD3 1 1 3 1717 1 1 11 LYS HE2 H 10.549 -4.006 8.324 1.00 . A A . 13 LYS HE2 1 1 3 1718 1 1 11 LYS HE3 H 11.041 -4.754 6.805 1.00 . A A . 13 LYS HE3 1 1 3 1719 1 1 11 LYS HG2 H 9.767 -6.148 6.337 1.00 . A A . 13 LYS HG2 1 1 3 1720 1 1 11 LYS HG3 H 8.526 -5.532 5.247 1.00 . A A . 13 LYS HG3 1 1 3 1721 1 1 11 LYS HZ1 H 11.609 -2.775 6.042 1.00 . A A . 13 LYS HZ1 1 1 3 1722 1 1 11 LYS HZ2 H 11.160 -2.059 7.517 1.00 . A A . 13 LYS HZ2 1 1 3 1723 1 1 11 LYS HZ3 H 10.027 -2.202 6.261 1.00 . A A . 13 LYS HZ3 1 1 3 1724 1 1 11 LYS N N 7.276 -7.966 5.172 1.00 . A A . 13 LYS N 1 1 3 1725 1 1 11 LYS NZ N 10.836 -2.655 6.728 1.00 . A A . 13 LYS NZ 1 1 3 1726 1 1 11 LYS O O 5.730 -8.931 7.200 1.00 . A A . 13 LYS O 1 1 3 1727 1 1 12 PRO C C 5.890 -9.242 10.438 1.00 . A A . 14 PRO C 1 1 3 1728 1 1 12 PRO CA C 6.775 -10.086 9.516 1.00 . A A . 14 PRO CA 1 1 3 1729 1 1 12 PRO CB C 7.911 -10.747 10.302 1.00 . A A . 14 PRO CB 1 1 3 1730 1 1 12 PRO CD C 8.902 -8.989 8.869 1.00 . A A . 14 PRO CD 1 1 3 1731 1 1 12 PRO CG C 9.150 -9.837 10.131 1.00 . A A . 14 PRO CG 1 1 3 1732 1 1 12 PRO HA H 6.192 -10.838 9.010 1.00 . A A . 14 PRO HA 1 1 3 1733 1 1 12 PRO HB2 H 7.641 -10.822 11.347 1.00 . A A . 14 PRO HB2 1 1 3 1734 1 1 12 PRO HB3 H 8.121 -11.727 9.901 1.00 . A A . 14 PRO HB3 1 1 3 1735 1 1 12 PRO HD2 H 9.070 -7.942 9.080 1.00 . A A . 14 PRO HD2 1 1 3 1736 1 1 12 PRO HD3 H 9.533 -9.320 8.060 1.00 . A A . 14 PRO HD3 1 1 3 1737 1 1 12 PRO HG2 H 9.259 -9.198 10.995 1.00 . A A . 14 PRO HG2 1 1 3 1738 1 1 12 PRO HG3 H 10.036 -10.437 10.000 1.00 . A A . 14 PRO HG3 1 1 3 1739 1 1 12 PRO N N 7.482 -9.234 8.540 1.00 . A A . 14 PRO N 1 1 3 1740 1 1 12 PRO O O 5.301 -9.744 11.376 1.00 . A A . 14 PRO O 1 1 3 1741 1 1 13 ALA C C 4.738 -5.740 10.392 1.00 . A A . 15 ALA C 1 1 3 1742 1 1 13 ALA CA C 4.936 -7.105 11.054 1.00 . A A . 15 ALA CA 1 1 3 1743 1 1 13 ALA CB C 5.620 -6.917 12.409 1.00 . A A . 15 ALA CB 1 1 3 1744 1 1 13 ALA H H 6.267 -7.576 9.424 1.00 . A A . 15 ALA H 1 1 3 1745 1 1 13 ALA HA H 3.975 -7.577 11.198 1.00 . A A . 15 ALA HA 1 1 3 1746 1 1 13 ALA HB1 H 6.134 -5.968 12.424 1.00 . A A . 15 ALA HB1 1 1 3 1747 1 1 13 ALA HB2 H 6.332 -7.715 12.567 1.00 . A A . 15 ALA HB2 1 1 3 1748 1 1 13 ALA HB3 H 4.877 -6.937 13.191 1.00 . A A . 15 ALA HB3 1 1 3 1749 1 1 13 ALA N N 5.787 -7.966 10.184 1.00 . A A . 15 ALA N 1 1 3 1750 1 1 13 ALA O O 5.687 -5.035 10.107 1.00 . A A . 15 ALA O 1 1 3 1751 1 1 14 CYS C C 3.208 -2.959 10.591 1.00 . A A . 16 CYS C 1 1 3 1752 1 1 14 CYS CA C 3.261 -4.038 9.510 1.00 . A A . 16 CYS CA 1 1 3 1753 1 1 14 CYS CB C 1.920 -4.069 8.768 1.00 . A A . 16 CYS CB 1 1 3 1754 1 1 14 CYS H H 2.762 -5.941 10.389 1.00 . A A . 16 CYS H 1 1 3 1755 1 1 14 CYS HA H 4.056 -3.818 8.820 1.00 . A A . 16 CYS HA 1 1 3 1756 1 1 14 CYS HB2 H 1.339 -4.909 9.115 1.00 . A A . 16 CYS HB2 1 1 3 1757 1 1 14 CYS HB3 H 1.380 -3.155 8.971 1.00 . A A . 16 CYS HB3 1 1 3 1758 1 1 14 CYS N N 3.514 -5.360 10.149 1.00 . A A . 16 CYS N 1 1 3 1759 1 1 14 CYS O O 3.413 -3.224 11.760 1.00 . A A . 16 CYS O 1 1 3 1760 1 1 14 CYS SG S 2.192 -4.227 6.982 1.00 . A A . 16 CYS SG 1 1 3 1761 1 1 15 THR C C 1.388 -0.423 11.601 1.00 . A A . 17 THR C 1 1 3 1762 1 1 15 THR CA C 2.851 -0.649 11.216 1.00 . A A . 17 THR CA 1 1 3 1763 1 1 15 THR CB C 3.426 0.634 10.613 1.00 . A A . 17 THR CB 1 1 3 1764 1 1 15 THR CG2 C 4.747 0.978 11.302 1.00 . A A . 17 THR CG2 1 1 3 1765 1 1 15 THR H H 2.759 -1.554 9.264 1.00 . A A . 17 THR H 1 1 3 1766 1 1 15 THR HA H 3.418 -0.924 12.093 1.00 . A A . 17 THR HA 1 1 3 1767 1 1 15 THR HB H 2.729 1.444 10.759 1.00 . A A . 17 THR HB 1 1 3 1768 1 1 15 THR HG1 H 3.321 1.218 8.762 1.00 . A A . 17 THR HG1 1 1 3 1769 1 1 15 THR HG21 H 5.569 0.576 10.727 1.00 . A A . 17 THR HG21 1 1 3 1770 1 1 15 THR HG22 H 4.759 0.551 12.294 1.00 . A A . 17 THR HG22 1 1 3 1771 1 1 15 THR HG23 H 4.848 2.051 11.371 1.00 . A A . 17 THR HG23 1 1 3 1772 1 1 15 THR N N 2.926 -1.745 10.211 1.00 . A A . 17 THR N 1 1 3 1773 1 1 15 THR O O 0.481 -0.817 10.894 1.00 . A A . 17 THR O 1 1 3 1774 1 1 15 THR OG1 O 3.650 0.444 9.223 1.00 . A A . 17 THR OG1 1 1 3 1775 1 1 16 MET C C -0.747 1.772 12.498 1.00 . A A . 18 MET C 1 1 3 1776 1 1 16 MET CA C -0.257 0.470 13.136 1.00 . A A . 18 MET CA 1 1 3 1777 1 1 16 MET CB C -0.316 0.596 14.661 1.00 . A A . 18 MET CB 1 1 3 1778 1 1 16 MET CE C 2.034 2.908 17.114 1.00 . A A . 18 MET CE 1 1 3 1779 1 1 16 MET CG C 0.841 1.469 15.146 1.00 . A A . 18 MET CG 1 1 3 1780 1 1 16 MET H H 1.893 0.529 13.269 1.00 . A A . 18 MET H 1 1 3 1781 1 1 16 MET HA H -0.885 -0.347 12.816 1.00 . A A . 18 MET HA 1 1 3 1782 1 1 16 MET HB2 H -1.256 1.049 14.948 1.00 . A A . 18 MET HB2 1 1 3 1783 1 1 16 MET HB3 H -0.240 -0.384 15.107 1.00 . A A . 18 MET HB3 1 1 3 1784 1 1 16 MET HE1 H 1.923 3.856 17.623 1.00 . A A . 18 MET HE1 1 1 3 1785 1 1 16 MET HE2 H 2.590 3.055 16.202 1.00 . A A . 18 MET HE2 1 1 3 1786 1 1 16 MET HE3 H 2.564 2.211 17.748 1.00 . A A . 18 MET HE3 1 1 3 1787 1 1 16 MET HG2 H 1.720 0.855 15.282 1.00 . A A . 18 MET HG2 1 1 3 1788 1 1 16 MET HG3 H 1.045 2.235 14.415 1.00 . A A . 18 MET HG3 1 1 3 1789 1 1 16 MET N N 1.149 0.214 12.714 1.00 . A A . 18 MET N 1 1 3 1790 1 1 16 MET O O -1.718 2.359 12.927 1.00 . A A . 18 MET O 1 1 3 1791 1 1 16 MET SD S 0.398 2.241 16.721 1.00 . A A . 18 MET SD 1 1 3 1792 1 1 17 GLU C C -1.960 3.390 10.381 1.00 . A A . 19 GLU C 1 1 3 1793 1 1 17 GLU CA C -0.495 3.492 10.807 1.00 . A A . 19 GLU CA 1 1 3 1794 1 1 17 GLU CB C 0.378 3.733 9.574 1.00 . A A . 19 GLU CB 1 1 3 1795 1 1 17 GLU CD C 0.609 6.153 10.143 1.00 . A A . 19 GLU CD 1 1 3 1796 1 1 17 GLU CG C 1.373 4.856 9.870 1.00 . A A . 19 GLU CG 1 1 3 1797 1 1 17 GLU H H 0.706 1.741 11.145 1.00 . A A . 19 GLU H 1 1 3 1798 1 1 17 GLU HA H -0.379 4.316 11.495 1.00 . A A . 19 GLU HA 1 1 3 1799 1 1 17 GLU HB2 H 0.916 2.829 9.329 1.00 . A A . 19 GLU HB2 1 1 3 1800 1 1 17 GLU HB3 H -0.246 4.019 8.740 1.00 . A A . 19 GLU HB3 1 1 3 1801 1 1 17 GLU HG2 H 1.963 4.596 10.737 1.00 . A A . 19 GLU HG2 1 1 3 1802 1 1 17 GLU HG3 H 2.024 4.994 9.020 1.00 . A A . 19 GLU HG3 1 1 3 1803 1 1 17 GLU N N -0.076 2.229 11.474 1.00 . A A . 19 GLU N 1 1 3 1804 1 1 17 GLU O O -2.577 2.350 10.483 1.00 . A A . 19 GLU O 1 1 3 1805 1 1 17 GLU OE1 O 0.085 6.719 9.198 1.00 . A A . 19 GLU OE1 1 1 3 1806 1 1 17 GLU OE2 O 0.559 6.557 11.293 1.00 . A A . 19 GLU OE2 1 1 3 1807 1 1 18 TYR C C -4.092 5.280 8.204 1.00 . A A . 20 TYR C 1 1 3 1808 1 1 18 TYR CA C -3.943 4.445 9.471 1.00 . A A . 20 TYR CA 1 1 3 1809 1 1 18 TYR CB C -4.810 5.041 10.573 1.00 . A A . 20 TYR CB 1 1 3 1810 1 1 18 TYR CD1 C -6.723 3.958 9.318 1.00 . A A . 20 TYR CD1 1 1 3 1811 1 1 18 TYR CD2 C -7.185 5.870 10.737 1.00 . A A . 20 TYR CD2 1 1 3 1812 1 1 18 TYR CE1 C -8.080 3.883 8.979 1.00 . A A . 20 TYR CE1 1 1 3 1813 1 1 18 TYR CE2 C -8.542 5.795 10.397 1.00 . A A . 20 TYR CE2 1 1 3 1814 1 1 18 TYR CG C -6.275 4.953 10.198 1.00 . A A . 20 TYR CG 1 1 3 1815 1 1 18 TYR CZ C -8.990 4.801 9.518 1.00 . A A . 20 TYR CZ 1 1 3 1816 1 1 18 TYR H H -1.997 5.296 9.835 1.00 . A A . 20 TYR H 1 1 3 1817 1 1 18 TYR HA H -4.244 3.430 9.276 1.00 . A A . 20 TYR HA 1 1 3 1818 1 1 18 TYR HB2 H -4.640 4.501 11.490 1.00 . A A . 20 TYR HB2 1 1 3 1819 1 1 18 TYR HB3 H -4.538 6.076 10.710 1.00 . A A . 20 TYR HB3 1 1 3 1820 1 1 18 TYR HD1 H -6.026 3.248 8.901 1.00 . A A . 20 TYR HD1 1 1 3 1821 1 1 18 TYR HD2 H -6.842 6.637 11.415 1.00 . A A . 20 TYR HD2 1 1 3 1822 1 1 18 TYR HE1 H -8.426 3.117 8.299 1.00 . A A . 20 TYR HE1 1 1 3 1823 1 1 18 TYR HE2 H -9.243 6.503 10.814 1.00 . A A . 20 TYR HE2 1 1 3 1824 1 1 18 TYR HH H -10.426 5.067 8.290 1.00 . A A . 20 TYR HH 1 1 3 1825 1 1 18 TYR N N -2.518 4.468 9.906 1.00 . A A . 20 TYR N 1 1 3 1826 1 1 18 TYR O O -5.072 5.971 8.007 1.00 . A A . 20 TYR O 1 1 3 1827 1 1 18 TYR OH O -10.326 4.728 9.182 1.00 . A A . 20 TYR OH 1 1 3 1828 1 1 19 ARG C C -4.068 5.288 5.070 1.00 . A A . 21 ARG C 1 1 3 1829 1 1 19 ARG CA C -3.176 6.011 6.087 1.00 . A A . 21 ARG CA 1 1 3 1830 1 1 19 ARG CB C -1.766 6.145 5.506 1.00 . A A . 21 ARG CB 1 1 3 1831 1 1 19 ARG CD C 0.563 6.033 6.400 1.00 . A A . 21 ARG CD 1 1 3 1832 1 1 19 ARG CG C -0.815 6.672 6.580 1.00 . A A . 21 ARG CG 1 1 3 1833 1 1 19 ARG CZ C 2.434 7.425 5.743 1.00 . A A . 21 ARG CZ 1 1 3 1834 1 1 19 ARG H H -2.343 4.658 7.546 1.00 . A A . 21 ARG H 1 1 3 1835 1 1 19 ARG HA H -3.571 6.990 6.297 1.00 . A A . 21 ARG HA 1 1 3 1836 1 1 19 ARG HB2 H -1.425 5.179 5.165 1.00 . A A . 21 ARG HB2 1 1 3 1837 1 1 19 ARG HB3 H -1.785 6.833 4.675 1.00 . A A . 21 ARG HB3 1 1 3 1838 1 1 19 ARG HD2 H 1.090 6.040 7.343 1.00 . A A . 21 ARG HD2 1 1 3 1839 1 1 19 ARG HD3 H 0.445 5.013 6.063 1.00 . A A . 21 ARG HD3 1 1 3 1840 1 1 19 ARG HE H 1.033 6.844 4.462 1.00 . A A . 21 ARG HE 1 1 3 1841 1 1 19 ARG HG2 H -0.730 7.745 6.490 1.00 . A A . 21 ARG HG2 1 1 3 1842 1 1 19 ARG HG3 H -1.201 6.421 7.558 1.00 . A A . 21 ARG HG3 1 1 3 1843 1 1 19 ARG HH11 H 3.418 5.747 6.221 1.00 . A A . 21 ARG HH11 1 1 3 1844 1 1 19 ARG HH12 H 4.300 7.223 6.436 1.00 . A A . 21 ARG HH12 1 1 3 1845 1 1 19 ARG HH21 H 1.706 9.247 5.344 1.00 . A A . 21 ARG HH21 1 1 3 1846 1 1 19 ARG HH22 H 3.333 9.204 5.942 1.00 . A A . 21 ARG HH22 1 1 3 1847 1 1 19 ARG N N -3.117 5.221 7.350 1.00 . A A . 21 ARG N 1 1 3 1848 1 1 19 ARG NE N 1.341 6.803 5.391 1.00 . A A . 21 ARG NE 1 1 3 1849 1 1 19 ARG NH1 N 3.464 6.745 6.166 1.00 . A A . 21 ARG NH1 1 1 3 1850 1 1 19 ARG NH2 N 2.495 8.727 5.670 1.00 . A A . 21 ARG NH2 1 1 3 1851 1 1 19 ARG O O -3.799 4.159 4.713 1.00 . A A . 21 ARG O 1 1 3 1852 1 1 20 PRO C C -5.433 5.484 2.236 1.00 . A A . 22 PRO C 1 1 3 1853 1 1 20 PRO CA C -6.043 5.406 3.639 1.00 . A A . 22 PRO CA 1 1 3 1854 1 1 20 PRO CB C -7.265 6.320 3.753 1.00 . A A . 22 PRO CB 1 1 3 1855 1 1 20 PRO CD C -5.426 7.338 5.058 1.00 . A A . 22 PRO CD 1 1 3 1856 1 1 20 PRO CG C -6.760 7.651 4.355 1.00 . A A . 22 PRO CG 1 1 3 1857 1 1 20 PRO HA H -6.309 4.393 3.889 1.00 . A A . 22 PRO HA 1 1 3 1858 1 1 20 PRO HB2 H -7.692 6.489 2.774 1.00 . A A . 22 PRO HB2 1 1 3 1859 1 1 20 PRO HB3 H -7.998 5.880 4.409 1.00 . A A . 22 PRO HB3 1 1 3 1860 1 1 20 PRO HD2 H -4.660 8.030 4.739 1.00 . A A . 22 PRO HD2 1 1 3 1861 1 1 20 PRO HD3 H -5.547 7.371 6.129 1.00 . A A . 22 PRO HD3 1 1 3 1862 1 1 20 PRO HG2 H -6.605 8.377 3.569 1.00 . A A . 22 PRO HG2 1 1 3 1863 1 1 20 PRO HG3 H -7.471 8.028 5.074 1.00 . A A . 22 PRO HG3 1 1 3 1864 1 1 20 PRO N N -5.100 5.963 4.625 1.00 . A A . 22 PRO N 1 1 3 1865 1 1 20 PRO O O -5.171 6.554 1.724 1.00 . A A . 22 PRO O 1 1 3 1866 1 1 21 LEU C C -5.466 3.592 -0.724 1.00 . A A . 23 LEU C 1 1 3 1867 1 1 21 LEU CA C -4.601 4.396 0.250 1.00 . A A . 23 LEU CA 1 1 3 1868 1 1 21 LEU CB C -3.198 3.790 0.291 1.00 . A A . 23 LEU CB 1 1 3 1869 1 1 21 LEU CD1 C -0.983 3.827 1.439 1.00 . A A . 23 LEU CD1 1 1 3 1870 1 1 21 LEU CD2 C -2.170 5.970 0.959 1.00 . A A . 23 LEU CD2 1 1 3 1871 1 1 21 LEU CG C -2.353 4.500 1.348 1.00 . A A . 23 LEU CG 1 1 3 1872 1 1 21 LEU H H -5.412 3.506 2.037 1.00 . A A . 23 LEU H 1 1 3 1873 1 1 21 LEU HA H -4.538 5.418 -0.089 1.00 . A A . 23 LEU HA 1 1 3 1874 1 1 21 LEU HB2 H -3.267 2.739 0.531 1.00 . A A . 23 LEU HB2 1 1 3 1875 1 1 21 LEU HB3 H -2.733 3.909 -0.675 1.00 . A A . 23 LEU HB3 1 1 3 1876 1 1 21 LEU HD11 H -0.214 4.581 1.510 1.00 . A A . 23 LEU HD11 1 1 3 1877 1 1 21 LEU HD12 H -0.818 3.226 0.557 1.00 . A A . 23 LEU HD12 1 1 3 1878 1 1 21 LEU HD13 H -0.950 3.195 2.313 1.00 . A A . 23 LEU HD13 1 1 3 1879 1 1 21 LEU HD21 H -2.345 6.597 1.821 1.00 . A A . 23 LEU HD21 1 1 3 1880 1 1 21 LEU HD22 H -2.873 6.228 0.179 1.00 . A A . 23 LEU HD22 1 1 3 1881 1 1 21 LEU HD23 H -1.163 6.125 0.600 1.00 . A A . 23 LEU HD23 1 1 3 1882 1 1 21 LEU HG H -2.846 4.437 2.305 1.00 . A A . 23 LEU HG 1 1 3 1883 1 1 21 LEU N N -5.200 4.364 1.611 1.00 . A A . 23 LEU N 1 1 3 1884 1 1 21 LEU O O -5.770 2.439 -0.493 1.00 . A A . 23 LEU O 1 1 3 1885 1 1 22 CYS C C -5.762 2.860 -3.882 1.00 . A A . 24 CYS C 1 1 3 1886 1 1 22 CYS CA C -6.680 3.460 -2.817 1.00 . A A . 24 CYS CA 1 1 3 1887 1 1 22 CYS CB C -7.653 4.433 -3.484 1.00 . A A . 24 CYS CB 1 1 3 1888 1 1 22 CYS H H -5.584 5.119 -1.988 1.00 . A A . 24 CYS H 1 1 3 1889 1 1 22 CYS HA H -7.233 2.672 -2.326 1.00 . A A . 24 CYS HA 1 1 3 1890 1 1 22 CYS HB2 H -8.220 4.951 -2.727 1.00 . A A . 24 CYS HB2 1 1 3 1891 1 1 22 CYS HB3 H -7.096 5.149 -4.071 1.00 . A A . 24 CYS HB3 1 1 3 1892 1 1 22 CYS N N -5.850 4.190 -1.819 1.00 . A A . 24 CYS N 1 1 3 1893 1 1 22 CYS O O -5.438 3.505 -4.856 1.00 . A A . 24 CYS O 1 1 3 1894 1 1 22 CYS SG S -8.779 3.515 -4.562 1.00 . A A . 24 CYS SG 1 1 3 1895 1 1 23 GLY C C -5.020 1.126 -6.096 1.00 . A A . 25 GLY C 1 1 3 1896 1 1 23 GLY CA C -4.421 1.004 -4.695 1.00 . A A . 25 GLY CA 1 1 3 1897 1 1 23 GLY H H -5.600 1.145 -2.898 1.00 . A A . 25 GLY H 1 1 3 1898 1 1 23 GLY HA2 H -3.459 1.494 -4.669 1.00 . A A . 25 GLY HA2 1 1 3 1899 1 1 23 GLY HA3 H -4.297 -0.040 -4.452 1.00 . A A . 25 GLY HA3 1 1 3 1900 1 1 23 GLY N N -5.331 1.640 -3.698 1.00 . A A . 25 GLY N 1 1 3 1901 1 1 23 GLY O O -6.223 1.144 -6.262 1.00 . A A . 25 GLY O 1 1 3 1902 1 1 24 SER C C -5.741 0.213 -8.778 1.00 . A A . 26 SER C 1 1 3 1903 1 1 24 SER CA C -4.713 1.317 -8.502 1.00 . A A . 26 SER CA 1 1 3 1904 1 1 24 SER CB C -3.559 1.180 -9.492 1.00 . A A . 26 SER CB 1 1 3 1905 1 1 24 SER H H -3.213 1.181 -6.950 1.00 . A A . 26 SER H 1 1 3 1906 1 1 24 SER HA H -5.181 2.282 -8.631 1.00 . A A . 26 SER HA 1 1 3 1907 1 1 24 SER HB2 H -3.073 2.133 -9.618 1.00 . A A . 26 SER HB2 1 1 3 1908 1 1 24 SER HB3 H -2.846 0.461 -9.112 1.00 . A A . 26 SER HB3 1 1 3 1909 1 1 24 SER HG H -3.896 -0.196 -10.824 1.00 . A A . 26 SER HG 1 1 3 1910 1 1 24 SER N N -4.187 1.201 -7.107 1.00 . A A . 26 SER N 1 1 3 1911 1 1 24 SER O O -6.506 0.291 -9.718 1.00 . A A . 26 SER O 1 1 3 1912 1 1 24 SER OG O -4.068 0.744 -10.747 1.00 . A A . 26 SER OG 1 1 3 1913 1 1 25 ASP C C -8.082 -1.569 -7.550 1.00 . A A . 27 ASP C 1 1 3 1914 1 1 25 ASP CA C -6.743 -1.918 -8.208 1.00 . A A . 27 ASP CA 1 1 3 1915 1 1 25 ASP CB C -6.200 -3.212 -7.600 1.00 . A A . 27 ASP CB 1 1 3 1916 1 1 25 ASP CG C -6.193 -3.098 -6.075 1.00 . A A . 27 ASP CG 1 1 3 1917 1 1 25 ASP H H -5.138 -0.870 -7.228 1.00 . A A . 27 ASP H 1 1 3 1918 1 1 25 ASP HA H -6.889 -2.054 -9.268 1.00 . A A . 27 ASP HA 1 1 3 1919 1 1 25 ASP HB2 H -6.827 -4.040 -7.898 1.00 . A A . 27 ASP HB2 1 1 3 1920 1 1 25 ASP HB3 H -5.192 -3.378 -7.951 1.00 . A A . 27 ASP HB3 1 1 3 1921 1 1 25 ASP N N -5.764 -0.817 -7.977 1.00 . A A . 27 ASP N 1 1 3 1922 1 1 25 ASP O O -8.888 -2.432 -7.264 1.00 . A A . 27 ASP O 1 1 3 1923 1 1 25 ASP OD1 O -5.852 -2.036 -5.582 1.00 . A A . 27 ASP OD1 1 1 3 1924 1 1 25 ASP OD2 O -6.527 -4.077 -5.427 1.00 . A A . 27 ASP OD2 1 1 3 1925 1 1 26 ASN C C -9.746 -0.574 -5.305 1.00 . A A . 28 ASN C 1 1 3 1926 1 1 26 ASN CA C -9.614 0.093 -6.676 1.00 . A A . 28 ASN CA 1 1 3 1927 1 1 26 ASN CB C -10.780 -0.345 -7.568 1.00 . A A . 28 ASN CB 1 1 3 1928 1 1 26 ASN CG C -11.750 0.823 -7.756 1.00 . A A . 28 ASN CG 1 1 3 1929 1 1 26 ASN H H -7.670 0.369 -7.550 1.00 . A A . 28 ASN H 1 1 3 1930 1 1 26 ASN HA H -9.635 1.166 -6.559 1.00 . A A . 28 ASN HA 1 1 3 1931 1 1 26 ASN HB2 H -10.399 -0.655 -8.530 1.00 . A A . 28 ASN HB2 1 1 3 1932 1 1 26 ASN HB3 H -11.299 -1.169 -7.103 1.00 . A A . 28 ASN HB3 1 1 3 1933 1 1 26 ASN HD21 H -11.072 1.285 -9.563 1.00 . A A . 28 ASN HD21 1 1 3 1934 1 1 26 ASN HD22 H -12.332 2.265 -8.988 1.00 . A A . 28 ASN HD22 1 1 3 1935 1 1 26 ASN N N -8.328 -0.310 -7.310 1.00 . A A . 28 ASN N 1 1 3 1936 1 1 26 ASN ND2 N -11.715 1.515 -8.862 1.00 . A A . 28 ASN ND2 1 1 3 1937 1 1 26 ASN O O -10.819 -0.976 -4.904 1.00 . A A . 28 ASN O 1 1 3 1938 1 1 26 ASN OD1 O -12.549 1.108 -6.885 1.00 . A A . 28 ASN OD1 1 1 3 1939 1 1 27 LYS C C -8.322 -0.344 -2.153 1.00 . A A . 29 LYS C 1 1 3 1940 1 1 27 LYS CA C -8.751 -1.339 -3.235 1.00 . A A . 29 LYS CA 1 1 3 1941 1 1 27 LYS CB C -7.837 -2.566 -3.194 1.00 . A A . 29 LYS CB 1 1 3 1942 1 1 27 LYS CD C -7.993 -5.046 -2.934 1.00 . A A . 29 LYS CD 1 1 3 1943 1 1 27 LYS CE C -7.991 -6.197 -3.945 1.00 . A A . 29 LYS CE 1 1 3 1944 1 1 27 LYS CG C -8.644 -3.814 -3.562 1.00 . A A . 29 LYS CG 1 1 3 1945 1 1 27 LYS H H -7.805 -0.363 -4.917 1.00 . A A . 29 LYS H 1 1 3 1946 1 1 27 LYS HA H -9.769 -1.646 -3.052 1.00 . A A . 29 LYS HA 1 1 3 1947 1 1 27 LYS HB2 H -7.029 -2.438 -3.898 1.00 . A A . 29 LYS HB2 1 1 3 1948 1 1 27 LYS HB3 H -7.435 -2.682 -2.199 1.00 . A A . 29 LYS HB3 1 1 3 1949 1 1 27 LYS HD2 H -6.976 -4.812 -2.651 1.00 . A A . 29 LYS HD2 1 1 3 1950 1 1 27 LYS HD3 H -8.551 -5.342 -2.058 1.00 . A A . 29 LYS HD3 1 1 3 1951 1 1 27 LYS HE2 H -7.867 -5.798 -4.942 1.00 . A A . 29 LYS HE2 1 1 3 1952 1 1 27 LYS HE3 H -7.176 -6.869 -3.722 1.00 . A A . 29 LYS HE3 1 1 3 1953 1 1 27 LYS HG2 H -9.653 -3.710 -3.191 1.00 . A A . 29 LYS HG2 1 1 3 1954 1 1 27 LYS HG3 H -8.664 -3.926 -4.635 1.00 . A A . 29 LYS HG3 1 1 3 1955 1 1 27 LYS HZ1 H -9.613 -6.949 -2.877 1.00 . A A . 29 LYS HZ1 1 1 3 1956 1 1 27 LYS HZ2 H -9.143 -7.912 -4.197 1.00 . A A . 29 LYS HZ2 1 1 3 1957 1 1 27 LYS HZ3 H -9.991 -6.464 -4.458 1.00 . A A . 29 LYS HZ3 1 1 3 1958 1 1 27 LYS N N -8.666 -0.694 -4.579 1.00 . A A . 29 LYS N 1 1 3 1959 1 1 27 LYS NZ N -9.282 -6.936 -3.863 1.00 . A A . 29 LYS NZ 1 1 3 1960 1 1 27 LYS O O -7.540 0.553 -2.395 1.00 . A A . 29 LYS O 1 1 3 1961 1 1 28 THR C C -7.366 -0.200 1.005 1.00 . A A . 30 THR C 1 1 3 1962 1 1 28 THR CA C -8.458 0.437 0.140 1.00 . A A . 30 THR CA 1 1 3 1963 1 1 28 THR CB C -9.692 0.721 1.002 1.00 . A A . 30 THR CB 1 1 3 1964 1 1 28 THR CG2 C -9.329 1.708 2.111 1.00 . A A . 30 THR CG2 1 1 3 1965 1 1 28 THR H H -9.462 -1.228 -0.789 1.00 . A A . 30 THR H 1 1 3 1966 1 1 28 THR HA H -8.092 1.361 -0.280 1.00 . A A . 30 THR HA 1 1 3 1967 1 1 28 THR HB H -10.040 -0.198 1.443 1.00 . A A . 30 THR HB 1 1 3 1968 1 1 28 THR HG1 H -11.558 0.933 0.499 1.00 . A A . 30 THR HG1 1 1 3 1969 1 1 28 THR HG21 H -10.028 2.530 2.106 1.00 . A A . 30 THR HG21 1 1 3 1970 1 1 28 THR HG22 H -8.330 2.084 1.947 1.00 . A A . 30 THR HG22 1 1 3 1971 1 1 28 THR HG23 H -9.370 1.205 3.066 1.00 . A A . 30 THR HG23 1 1 3 1972 1 1 28 THR N N -8.831 -0.498 -0.961 1.00 . A A . 30 THR N 1 1 3 1973 1 1 28 THR O O -7.360 -1.395 1.231 1.00 . A A . 30 THR O 1 1 3 1974 1 1 28 THR OG1 O -10.716 1.274 0.188 1.00 . A A . 30 THR OG1 1 1 3 1975 1 1 29 TYR C C -5.238 0.798 3.630 1.00 . A A . 31 TYR C 1 1 3 1976 1 1 29 TYR CA C -5.345 0.022 2.317 1.00 . A A . 31 TYR CA 1 1 3 1977 1 1 29 TYR CB C -4.037 0.132 1.541 1.00 . A A . 31 TYR CB 1 1 3 1978 1 1 29 TYR CD1 C -4.120 -2.330 1.025 1.00 . A A . 31 TYR CD1 1 1 3 1979 1 1 29 TYR CD2 C -3.707 -0.772 -0.786 1.00 . A A . 31 TYR CD2 1 1 3 1980 1 1 29 TYR CE1 C -4.046 -3.398 0.123 1.00 . A A . 31 TYR CE1 1 1 3 1981 1 1 29 TYR CE2 C -3.634 -1.838 -1.688 1.00 . A A . 31 TYR CE2 1 1 3 1982 1 1 29 TYR CG C -3.948 -1.017 0.570 1.00 . A A . 31 TYR CG 1 1 3 1983 1 1 29 TYR CZ C -3.803 -3.152 -1.234 1.00 . A A . 31 TYR CZ 1 1 3 1984 1 1 29 TYR H H -6.445 1.539 1.282 1.00 . A A . 31 TYR H 1 1 3 1985 1 1 29 TYR HA H -5.545 -1.015 2.532 1.00 . A A . 31 TYR HA 1 1 3 1986 1 1 29 TYR HB2 H -4.016 1.067 1.000 1.00 . A A . 31 TYR HB2 1 1 3 1987 1 1 29 TYR HB3 H -3.212 0.093 2.225 1.00 . A A . 31 TYR HB3 1 1 3 1988 1 1 29 TYR HD1 H -4.306 -2.517 2.072 1.00 . A A . 31 TYR HD1 1 1 3 1989 1 1 29 TYR HD2 H -3.575 0.241 -1.136 1.00 . A A . 31 TYR HD2 1 1 3 1990 1 1 29 TYR HE1 H -4.178 -4.411 0.474 1.00 . A A . 31 TYR HE1 1 1 3 1991 1 1 29 TYR HE2 H -3.447 -1.649 -2.735 1.00 . A A . 31 TYR HE2 1 1 3 1992 1 1 29 TYR HH H -4.381 -4.860 -1.858 1.00 . A A . 31 TYR HH 1 1 3 1993 1 1 29 TYR N N -6.435 0.583 1.483 1.00 . A A . 31 TYR N 1 1 3 1994 1 1 29 TYR O O -5.823 1.851 3.792 1.00 . A A . 31 TYR O 1 1 3 1995 1 1 29 TYR OH O -3.733 -4.204 -2.124 1.00 . A A . 31 TYR OH 1 1 3 1996 1 1 30 GLY C C -3.068 1.812 5.864 1.00 . A A . 32 GLY C 1 1 3 1997 1 1 30 GLY CA C -4.348 0.980 5.875 1.00 . A A . 32 GLY CA 1 1 3 1998 1 1 30 GLY H H -4.033 -0.569 4.413 1.00 . A A . 32 GLY H 1 1 3 1999 1 1 30 GLY HA2 H -5.200 1.624 6.036 1.00 . A A . 32 GLY HA2 1 1 3 2000 1 1 30 GLY HA3 H -4.291 0.251 6.670 1.00 . A A . 32 GLY HA3 1 1 3 2001 1 1 30 GLY N N -4.495 0.281 4.569 1.00 . A A . 32 GLY N 1 1 3 2002 1 1 30 GLY O O -2.880 2.691 6.682 1.00 . A A . 32 GLY O 1 1 3 2003 1 1 31 ASN C C 0.024 1.724 3.844 1.00 . A A . 33 ASN C 1 1 3 2004 1 1 31 ASN CA C -0.919 2.332 4.885 1.00 . A A . 33 ASN CA 1 1 3 2005 1 1 31 ASN CB C -0.244 2.321 6.259 1.00 . A A . 33 ASN CB 1 1 3 2006 1 1 31 ASN CG C -0.334 0.921 6.867 1.00 . A A . 33 ASN CG 1 1 3 2007 1 1 31 ASN H H -2.350 0.835 4.287 1.00 . A A . 33 ASN H 1 1 3 2008 1 1 31 ASN HA H -1.145 3.350 4.607 1.00 . A A . 33 ASN HA 1 1 3 2009 1 1 31 ASN HB2 H 0.794 2.601 6.150 1.00 . A A . 33 ASN HB2 1 1 3 2010 1 1 31 ASN HB3 H -0.740 3.026 6.907 1.00 . A A . 33 ASN HB3 1 1 3 2011 1 1 31 ASN HD21 H -1.548 1.480 8.334 1.00 . A A . 33 ASN HD21 1 1 3 2012 1 1 31 ASN HD22 H -1.127 -0.164 8.329 1.00 . A A . 33 ASN HD22 1 1 3 2013 1 1 31 ASN N N -2.182 1.547 4.942 1.00 . A A . 33 ASN N 1 1 3 2014 1 1 31 ASN ND2 N -1.065 0.730 7.931 1.00 . A A . 33 ASN ND2 1 1 3 2015 1 1 31 ASN O O -0.233 0.673 3.290 1.00 . A A . 33 ASN O 1 1 3 2016 1 1 31 ASN OD1 O 0.266 -0.010 6.368 1.00 . A A . 33 ASN OD1 1 1 3 2017 1 1 32 LYS C C 2.576 0.497 2.942 1.00 . A A . 34 LYS C 1 1 3 2018 1 1 32 LYS CA C 2.072 1.890 2.553 1.00 . A A . 34 LYS CA 1 1 3 2019 1 1 32 LYS CB C 3.249 2.876 2.431 1.00 . A A . 34 LYS CB 1 1 3 2020 1 1 32 LYS CD C 3.948 2.583 4.822 1.00 . A A . 34 LYS CD 1 1 3 2021 1 1 32 LYS CE C 4.725 3.703 5.517 1.00 . A A . 34 LYS CE 1 1 3 2022 1 1 32 LYS CG C 4.402 2.478 3.365 1.00 . A A . 34 LYS CG 1 1 3 2023 1 1 32 LYS H H 1.277 3.241 4.015 1.00 . A A . 34 LYS H 1 1 3 2024 1 1 32 LYS HA H 1.572 1.824 1.598 1.00 . A A . 34 LYS HA 1 1 3 2025 1 1 32 LYS HB2 H 3.605 2.879 1.412 1.00 . A A . 34 LYS HB2 1 1 3 2026 1 1 32 LYS HB3 H 2.909 3.867 2.690 1.00 . A A . 34 LYS HB3 1 1 3 2027 1 1 32 LYS HD2 H 2.892 2.803 4.854 1.00 . A A . 34 LYS HD2 1 1 3 2028 1 1 32 LYS HD3 H 4.138 1.648 5.327 1.00 . A A . 34 LYS HD3 1 1 3 2029 1 1 32 LYS HE2 H 4.441 4.654 5.094 1.00 . A A . 34 LYS HE2 1 1 3 2030 1 1 32 LYS HE3 H 4.499 3.698 6.574 1.00 . A A . 34 LYS HE3 1 1 3 2031 1 1 32 LYS HG2 H 4.703 1.462 3.153 1.00 . A A . 34 LYS HG2 1 1 3 2032 1 1 32 LYS HG3 H 5.239 3.142 3.203 1.00 . A A . 34 LYS HG3 1 1 3 2033 1 1 32 LYS HZ1 H 6.701 3.804 6.168 1.00 . A A . 34 LYS HZ1 1 1 3 2034 1 1 32 LYS HZ2 H 6.509 4.038 4.496 1.00 . A A . 34 LYS HZ2 1 1 3 2035 1 1 32 LYS HZ3 H 6.373 2.480 5.162 1.00 . A A . 34 LYS HZ3 1 1 3 2036 1 1 32 LYS N N 1.106 2.394 3.566 1.00 . A A . 34 LYS N 1 1 3 2037 1 1 32 LYS NZ N 6.187 3.491 5.321 1.00 . A A . 34 LYS NZ 1 1 3 2038 1 1 32 LYS O O 3.165 -0.194 2.141 1.00 . A A . 34 LYS O 1 1 3 2039 1 1 33 CYS C C 1.874 -2.313 3.951 1.00 . A A . 35 CYS C 1 1 3 2040 1 1 33 CYS CA C 2.826 -1.283 4.550 1.00 . A A . 35 CYS CA 1 1 3 2041 1 1 33 CYS CB C 2.841 -1.398 6.072 1.00 . A A . 35 CYS CB 1 1 3 2042 1 1 33 CYS H H 1.874 0.630 4.803 1.00 . A A . 35 CYS H 1 1 3 2043 1 1 33 CYS HA H 3.819 -1.443 4.162 1.00 . A A . 35 CYS HA 1 1 3 2044 1 1 33 CYS HB2 H 3.374 -0.558 6.484 1.00 . A A . 35 CYS HB2 1 1 3 2045 1 1 33 CYS HB3 H 1.829 -1.400 6.442 1.00 . A A . 35 CYS HB3 1 1 3 2046 1 1 33 CYS N N 2.354 0.070 4.156 1.00 . A A . 35 CYS N 1 1 3 2047 1 1 33 CYS O O 2.291 -3.303 3.381 1.00 . A A . 35 CYS O 1 1 3 2048 1 1 33 CYS SG S 3.680 -2.926 6.563 1.00 . A A . 35 CYS SG 1 1 3 2049 1 1 34 ASN C C -0.246 -2.940 1.927 1.00 . A A . 36 ASN C 1 1 3 2050 1 1 34 ASN CA C -0.385 -3.013 3.449 1.00 . A A . 36 ASN CA 1 1 3 2051 1 1 34 ASN CB C -1.795 -2.591 3.856 1.00 . A A . 36 ASN CB 1 1 3 2052 1 1 34 ASN CG C -2.600 -3.825 4.262 1.00 . A A . 36 ASN CG 1 1 3 2053 1 1 34 ASN H H 0.280 -1.255 4.485 1.00 . A A . 36 ASN H 1 1 3 2054 1 1 34 ASN HA H -0.186 -4.019 3.790 1.00 . A A . 36 ASN HA 1 1 3 2055 1 1 34 ASN HB2 H -1.740 -1.904 4.689 1.00 . A A . 36 ASN HB2 1 1 3 2056 1 1 34 ASN HB3 H -2.278 -2.106 3.023 1.00 . A A . 36 ASN HB3 1 1 3 2057 1 1 34 ASN HD21 H -2.109 -3.681 6.181 1.00 . A A . 36 ASN HD21 1 1 3 2058 1 1 34 ASN HD22 H -3.123 -4.983 5.787 1.00 . A A . 36 ASN HD22 1 1 3 2059 1 1 34 ASN N N 0.596 -2.071 4.044 1.00 . A A . 36 ASN N 1 1 3 2060 1 1 34 ASN ND2 N -2.612 -4.194 5.514 1.00 . A A . 36 ASN ND2 1 1 3 2061 1 1 34 ASN O O -0.710 -3.796 1.201 1.00 . A A . 36 ASN O 1 1 3 2062 1 1 34 ASN OD1 O -3.223 -4.461 3.436 1.00 . A A . 36 ASN OD1 1 1 3 2063 1 1 35 PHE C C 1.792 -2.551 -0.489 1.00 . A A . 37 PHE C 1 1 3 2064 1 1 35 PHE CA C 0.582 -1.739 -0.018 1.00 . A A . 37 PHE CA 1 1 3 2065 1 1 35 PHE CB C 0.832 -0.261 -0.316 1.00 . A A . 37 PHE CB 1 1 3 2066 1 1 35 PHE CD1 C -0.104 -0.354 -2.651 1.00 . A A . 37 PHE CD1 1 1 3 2067 1 1 35 PHE CD2 C 2.186 0.381 -2.340 1.00 . A A . 37 PHE CD2 1 1 3 2068 1 1 35 PHE CE1 C 0.025 -0.177 -4.031 1.00 . A A . 37 PHE CE1 1 1 3 2069 1 1 35 PHE CE2 C 2.315 0.558 -3.722 1.00 . A A . 37 PHE CE2 1 1 3 2070 1 1 35 PHE CG C 0.976 -0.074 -1.806 1.00 . A A . 37 PHE CG 1 1 3 2071 1 1 35 PHE CZ C 1.236 0.281 -4.567 1.00 . A A . 37 PHE CZ 1 1 3 2072 1 1 35 PHE H H 0.753 -1.233 2.060 1.00 . A A . 37 PHE H 1 1 3 2073 1 1 35 PHE HA H -0.304 -2.068 -0.539 1.00 . A A . 37 PHE HA 1 1 3 2074 1 1 35 PHE HB2 H 0.003 0.332 0.051 1.00 . A A . 37 PHE HB2 1 1 3 2075 1 1 35 PHE HB3 H 1.741 0.057 0.174 1.00 . A A . 37 PHE HB3 1 1 3 2076 1 1 35 PHE HD1 H -1.034 -0.711 -2.237 1.00 . A A . 37 PHE HD1 1 1 3 2077 1 1 35 PHE HD2 H 3.017 0.598 -1.687 1.00 . A A . 37 PHE HD2 1 1 3 2078 1 1 35 PHE HE1 H -0.812 -0.386 -4.683 1.00 . A A . 37 PHE HE1 1 1 3 2079 1 1 35 PHE HE2 H 3.248 0.907 -4.136 1.00 . A A . 37 PHE HE2 1 1 3 2080 1 1 35 PHE HZ H 1.336 0.417 -5.630 1.00 . A A . 37 PHE HZ 1 1 3 2081 1 1 35 PHE N N 0.396 -1.907 1.449 1.00 . A A . 37 PHE N 1 1 3 2082 1 1 35 PHE O O 1.730 -3.269 -1.467 1.00 . A A . 37 PHE O 1 1 3 2083 1 1 36 CYS C C 3.825 -4.688 -0.064 1.00 . A A . 38 CYS C 1 1 3 2084 1 1 36 CYS CA C 4.110 -3.198 -0.204 1.00 . A A . 38 CYS CA 1 1 3 2085 1 1 36 CYS CB C 5.283 -2.815 0.703 1.00 . A A . 38 CYS CB 1 1 3 2086 1 1 36 CYS H H 2.923 -1.863 0.986 1.00 . A A . 38 CYS H 1 1 3 2087 1 1 36 CYS HA H 4.355 -2.970 -1.230 1.00 . A A . 38 CYS HA 1 1 3 2088 1 1 36 CYS HB2 H 5.085 -3.166 1.704 1.00 . A A . 38 CYS HB2 1 1 3 2089 1 1 36 CYS HB3 H 6.187 -3.275 0.335 1.00 . A A . 38 CYS HB3 1 1 3 2090 1 1 36 CYS N N 2.896 -2.440 0.201 1.00 . A A . 38 CYS N 1 1 3 2091 1 1 36 CYS O O 4.291 -5.500 -0.838 1.00 . A A . 38 CYS O 1 1 3 2092 1 1 36 CYS SG S 5.487 -1.014 0.732 1.00 . A A . 38 CYS SG 1 1 3 2093 1 1 37 ASN C C 1.705 -6.888 0.033 1.00 . A A . 39 ASN C 1 1 3 2094 1 1 37 ASN CA C 2.715 -6.490 1.103 1.00 . A A . 39 ASN CA 1 1 3 2095 1 1 37 ASN CB C 2.116 -6.718 2.494 1.00 . A A . 39 ASN CB 1 1 3 2096 1 1 37 ASN CG C 3.236 -7.025 3.488 1.00 . A A . 39 ASN CG 1 1 3 2097 1 1 37 ASN H H 2.673 -4.373 1.522 1.00 . A A . 39 ASN H 1 1 3 2098 1 1 37 ASN HA H 3.609 -7.082 0.986 1.00 . A A . 39 ASN HA 1 1 3 2099 1 1 37 ASN HB2 H 1.587 -5.830 2.806 1.00 . A A . 39 ASN HB2 1 1 3 2100 1 1 37 ASN HB3 H 1.430 -7.552 2.458 1.00 . A A . 39 ASN HB3 1 1 3 2101 1 1 37 ASN HD21 H 3.670 -8.787 2.680 1.00 . A A . 39 ASN HD21 1 1 3 2102 1 1 37 ASN HD22 H 4.615 -8.352 4.022 1.00 . A A . 39 ASN HD22 1 1 3 2103 1 1 37 ASN N N 3.046 -5.052 0.918 1.00 . A A . 39 ASN N 1 1 3 2104 1 1 37 ASN ND2 N 3.895 -8.148 3.388 1.00 . A A . 39 ASN ND2 1 1 3 2105 1 1 37 ASN O O 1.833 -7.911 -0.610 1.00 . A A . 39 ASN O 1 1 3 2106 1 1 37 ASN OD1 O 3.514 -6.235 4.369 1.00 . A A . 39 ASN OD1 1 1 3 2107 1 1 38 ALA C C 0.482 -6.496 -2.561 1.00 . A A . 40 ALA C 1 1 3 2108 1 1 38 ALA CA C -0.277 -6.381 -1.243 1.00 . A A . 40 ALA CA 1 1 3 2109 1 1 38 ALA CB C -1.310 -5.256 -1.331 1.00 . A A . 40 ALA CB 1 1 3 2110 1 1 38 ALA H H 0.651 -5.237 0.324 1.00 . A A . 40 ALA H 1 1 3 2111 1 1 38 ALA HA H -0.768 -7.316 -1.018 1.00 . A A . 40 ALA HA 1 1 3 2112 1 1 38 ALA HB1 H -1.928 -5.263 -0.444 1.00 . A A . 40 ALA HB1 1 1 3 2113 1 1 38 ALA HB2 H -1.929 -5.403 -2.203 1.00 . A A . 40 ALA HB2 1 1 3 2114 1 1 38 ALA HB3 H -0.801 -4.305 -1.407 1.00 . A A . 40 ALA HB3 1 1 3 2115 1 1 38 ALA N N 0.719 -6.069 -0.187 1.00 . A A . 40 ALA N 1 1 3 2116 1 1 38 ALA O O 0.032 -7.114 -3.507 1.00 . A A . 40 ALA O 1 1 3 2117 1 1 39 VAL C C 3.196 -7.327 -3.877 1.00 . A A . 41 VAL C 1 1 3 2118 1 1 39 VAL CA C 2.475 -5.980 -3.852 1.00 . A A . 41 VAL CA 1 1 3 2119 1 1 39 VAL CB C 3.501 -4.839 -3.842 1.00 . A A . 41 VAL CB 1 1 3 2120 1 1 39 VAL CG1 C 4.646 -5.145 -4.812 1.00 . A A . 41 VAL CG1 1 1 3 2121 1 1 39 VAL CG2 C 2.815 -3.539 -4.267 1.00 . A A . 41 VAL CG2 1 1 3 2122 1 1 39 VAL H H 1.989 -5.430 -1.832 1.00 . A A . 41 VAL H 1 1 3 2123 1 1 39 VAL HA H 1.839 -5.893 -4.718 1.00 . A A . 41 VAL HA 1 1 3 2124 1 1 39 VAL HB H 3.896 -4.727 -2.843 1.00 . A A . 41 VAL HB 1 1 3 2125 1 1 39 VAL HG11 H 5.562 -5.275 -4.253 1.00 . A A . 41 VAL HG11 1 1 3 2126 1 1 39 VAL HG12 H 4.760 -4.321 -5.502 1.00 . A A . 41 VAL HG12 1 1 3 2127 1 1 39 VAL HG13 H 4.429 -6.047 -5.361 1.00 . A A . 41 VAL HG13 1 1 3 2128 1 1 39 VAL HG21 H 2.522 -2.983 -3.390 1.00 . A A . 41 VAL HG21 1 1 3 2129 1 1 39 VAL HG22 H 1.941 -3.771 -4.857 1.00 . A A . 41 VAL HG22 1 1 3 2130 1 1 39 VAL HG23 H 3.500 -2.948 -4.857 1.00 . A A . 41 VAL HG23 1 1 3 2131 1 1 39 VAL N N 1.650 -5.909 -2.616 1.00 . A A . 41 VAL N 1 1 3 2132 1 1 39 VAL O O 3.395 -7.915 -4.922 1.00 . A A . 41 VAL O 1 1 3 2133 1 1 40 VAL C C 3.302 -10.221 -3.145 1.00 . A A . 42 VAL C 1 1 3 2134 1 1 40 VAL CA C 4.281 -9.137 -2.703 1.00 . A A . 42 VAL CA 1 1 3 2135 1 1 40 VAL CB C 4.770 -9.423 -1.281 1.00 . A A . 42 VAL CB 1 1 3 2136 1 1 40 VAL CG1 C 5.635 -10.684 -1.281 1.00 . A A . 42 VAL CG1 1 1 3 2137 1 1 40 VAL CG2 C 5.602 -8.237 -0.787 1.00 . A A . 42 VAL CG2 1 1 3 2138 1 1 40 VAL H H 3.406 -7.339 -1.899 1.00 . A A . 42 VAL H 1 1 3 2139 1 1 40 VAL HA H 5.121 -9.114 -3.380 1.00 . A A . 42 VAL HA 1 1 3 2140 1 1 40 VAL HB H 3.921 -9.567 -0.629 1.00 . A A . 42 VAL HB 1 1 3 2141 1 1 40 VAL HG11 H 5.592 -11.152 -2.253 1.00 . A A . 42 VAL HG11 1 1 3 2142 1 1 40 VAL HG12 H 5.267 -11.372 -0.534 1.00 . A A . 42 VAL HG12 1 1 3 2143 1 1 40 VAL HG13 H 6.658 -10.419 -1.053 1.00 . A A . 42 VAL HG13 1 1 3 2144 1 1 40 VAL HG21 H 5.289 -7.341 -1.300 1.00 . A A . 42 VAL HG21 1 1 3 2145 1 1 40 VAL HG22 H 6.647 -8.421 -0.989 1.00 . A A . 42 VAL HG22 1 1 3 2146 1 1 40 VAL HG23 H 5.458 -8.114 0.277 1.00 . A A . 42 VAL HG23 1 1 3 2147 1 1 40 VAL N N 3.583 -7.825 -2.734 1.00 . A A . 42 VAL N 1 1 3 2148 1 1 40 VAL O O 3.686 -11.251 -3.665 1.00 . A A . 42 VAL O 1 1 3 2149 1 1 41 GLU C C 0.403 -10.531 -4.714 1.00 . A A . 43 GLU C 1 1 3 2150 1 1 41 GLU CA C 1.015 -10.982 -3.385 1.00 . A A . 43 GLU CA 1 1 3 2151 1 1 41 GLU CB C -0.085 -11.078 -2.325 1.00 . A A . 43 GLU CB 1 1 3 2152 1 1 41 GLU CD C -0.417 -12.187 -0.111 1.00 . A A . 43 GLU CD 1 1 3 2153 1 1 41 GLU CG C 0.544 -11.351 -0.958 1.00 . A A . 43 GLU CG 1 1 3 2154 1 1 41 GLU H H 1.749 -9.138 -2.552 1.00 . A A . 43 GLU H 1 1 3 2155 1 1 41 GLU HA H 1.483 -11.947 -3.510 1.00 . A A . 43 GLU HA 1 1 3 2156 1 1 41 GLU HB2 H -0.633 -10.147 -2.291 1.00 . A A . 43 GLU HB2 1 1 3 2157 1 1 41 GLU HB3 H -0.758 -11.884 -2.576 1.00 . A A . 43 GLU HB3 1 1 3 2158 1 1 41 GLU HG2 H 1.472 -11.890 -1.091 1.00 . A A . 43 GLU HG2 1 1 3 2159 1 1 41 GLU HG3 H 0.740 -10.414 -0.458 1.00 . A A . 43 GLU HG3 1 1 3 2160 1 1 41 GLU N N 2.034 -9.983 -2.959 1.00 . A A . 43 GLU N 1 1 3 2161 1 1 41 GLU O O -0.350 -11.252 -5.340 1.00 . A A . 43 GLU O 1 1 3 2162 1 1 41 GLU OE1 O -1.505 -12.465 -0.586 1.00 . A A . 43 GLU OE1 1 1 3 2163 1 1 41 GLU OE2 O -0.046 -12.536 0.997 1.00 . A A . 43 GLU OE2 1 1 3 2164 1 1 42 SER C C 1.183 -9.031 -7.552 1.00 . A A . 44 SER C 1 1 3 2165 1 1 42 SER CA C 0.159 -8.836 -6.432 1.00 . A A . 44 SER CA 1 1 3 2166 1 1 42 SER CB C -0.166 -7.348 -6.292 1.00 . A A . 44 SER CB 1 1 3 2167 1 1 42 SER H H 1.327 -8.774 -4.626 1.00 . A A . 44 SER H 1 1 3 2168 1 1 42 SER HA H -0.742 -9.380 -6.669 1.00 . A A . 44 SER HA 1 1 3 2169 1 1 42 SER HB2 H 0.515 -6.892 -5.592 1.00 . A A . 44 SER HB2 1 1 3 2170 1 1 42 SER HB3 H -0.063 -6.866 -7.256 1.00 . A A . 44 SER HB3 1 1 3 2171 1 1 42 SER HG H -2.070 -7.744 -6.361 1.00 . A A . 44 SER HG 1 1 3 2172 1 1 42 SER N N 0.720 -9.339 -5.148 1.00 . A A . 44 SER N 1 1 3 2173 1 1 42 SER O O 0.954 -8.658 -8.685 1.00 . A A . 44 SER O 1 1 3 2174 1 1 42 SER OG O -1.496 -7.201 -5.815 1.00 . A A . 44 SER OG 1 1 3 2175 1 1 43 ASN C C 4.062 -8.525 -8.611 1.00 . A A . 45 ASN C 1 1 3 2176 1 1 43 ASN CA C 3.341 -9.839 -8.302 1.00 . A A . 45 ASN CA 1 1 3 2177 1 1 43 ASN CB C 2.663 -10.364 -9.568 1.00 . A A . 45 ASN CB 1 1 3 2178 1 1 43 ASN CG C 3.670 -11.174 -10.388 1.00 . A A . 45 ASN CG 1 1 3 2179 1 1 43 ASN H H 2.479 -9.912 -6.327 1.00 . A A . 45 ASN H 1 1 3 2180 1 1 43 ASN HA H 4.058 -10.568 -7.952 1.00 . A A . 45 ASN HA 1 1 3 2181 1 1 43 ASN HB2 H 1.829 -10.994 -9.295 1.00 . A A . 45 ASN HB2 1 1 3 2182 1 1 43 ASN HB3 H 2.308 -9.532 -10.158 1.00 . A A . 45 ASN HB3 1 1 3 2183 1 1 43 ASN HD21 H 2.383 -12.632 -10.789 1.00 . A A . 45 ASN HD21 1 1 3 2184 1 1 43 ASN HD22 H 3.936 -12.834 -11.443 1.00 . A A . 45 ASN HD22 1 1 3 2185 1 1 43 ASN N N 2.310 -9.616 -7.247 1.00 . A A . 45 ASN N 1 1 3 2186 1 1 43 ASN ND2 N 3.298 -12.307 -10.917 1.00 . A A . 45 ASN ND2 1 1 3 2187 1 1 43 ASN O O 4.823 -8.433 -9.555 1.00 . A A . 45 ASN O 1 1 3 2188 1 1 43 ASN OD1 O 4.805 -10.772 -10.546 1.00 . A A . 45 ASN OD1 1 1 3 2189 1 1 44 GLY C C 3.775 -5.446 -9.185 1.00 . A A . 46 GLY C 1 1 3 2190 1 1 44 GLY CA C 4.510 -6.206 -8.079 1.00 . A A . 46 GLY CA 1 1 3 2191 1 1 44 GLY H H 3.218 -7.602 -7.069 1.00 . A A . 46 GLY H 1 1 3 2192 1 1 44 GLY HA2 H 4.508 -5.617 -7.173 1.00 . A A . 46 GLY HA2 1 1 3 2193 1 1 44 GLY HA3 H 5.530 -6.383 -8.389 1.00 . A A . 46 GLY HA3 1 1 3 2194 1 1 44 GLY N N 3.834 -7.508 -7.827 1.00 . A A . 46 GLY N 1 1 3 2195 1 1 44 GLY O O 4.341 -4.605 -9.853 1.00 . A A . 46 GLY O 1 1 3 2196 1 1 45 THR C C 0.757 -4.058 -9.791 1.00 . A A . 47 THR C 1 1 3 2197 1 1 45 THR CA C 1.749 -5.024 -10.442 1.00 . A A . 47 THR CA 1 1 3 2198 1 1 45 THR CB C 0.990 -6.047 -11.293 1.00 . A A . 47 THR CB 1 1 3 2199 1 1 45 THR CG2 C 1.570 -6.070 -12.708 1.00 . A A . 47 THR CG2 1 1 3 2200 1 1 45 THR H H 2.078 -6.416 -8.829 1.00 . A A . 47 THR H 1 1 3 2201 1 1 45 THR HA H 2.431 -4.472 -11.070 1.00 . A A . 47 THR HA 1 1 3 2202 1 1 45 THR HB H -0.053 -5.772 -11.341 1.00 . A A . 47 THR HB 1 1 3 2203 1 1 45 THR HG1 H 0.405 -7.886 -11.050 1.00 . A A . 47 THR HG1 1 1 3 2204 1 1 45 THR HG21 H 2.641 -6.201 -12.656 1.00 . A A . 47 THR HG21 1 1 3 2205 1 1 45 THR HG22 H 1.345 -5.138 -13.205 1.00 . A A . 47 THR HG22 1 1 3 2206 1 1 45 THR HG23 H 1.136 -6.890 -13.262 1.00 . A A . 47 THR HG23 1 1 3 2207 1 1 45 THR N N 2.517 -5.735 -9.380 1.00 . A A . 47 THR N 1 1 3 2208 1 1 45 THR O O 0.237 -3.162 -10.429 1.00 . A A . 47 THR O 1 1 3 2209 1 1 45 THR OG1 O 1.113 -7.335 -10.706 1.00 . A A . 47 THR OG1 1 1 3 2210 1 1 46 LEU C C 0.207 -1.944 -7.659 1.00 . A A . 48 LEU C 1 1 3 2211 1 1 46 LEU CA C -0.456 -3.316 -7.829 1.00 . A A . 48 LEU CA 1 1 3 2212 1 1 46 LEU CB C -0.807 -3.906 -6.460 1.00 . A A . 48 LEU CB 1 1 3 2213 1 1 46 LEU CD1 C -2.687 -2.263 -6.426 1.00 . A A . 48 LEU CD1 1 1 3 2214 1 1 46 LEU CD2 C -2.082 -3.517 -4.351 1.00 . A A . 48 LEU CD2 1 1 3 2215 1 1 46 LEU CG C -1.532 -2.858 -5.619 1.00 . A A . 48 LEU CG 1 1 3 2216 1 1 46 LEU H H 0.929 -4.954 -8.028 1.00 . A A . 48 LEU H 1 1 3 2217 1 1 46 LEU HA H -1.353 -3.213 -8.420 1.00 . A A . 48 LEU HA 1 1 3 2218 1 1 46 LEU HB2 H -1.446 -4.766 -6.593 1.00 . A A . 48 LEU HB2 1 1 3 2219 1 1 46 LEU HB3 H 0.100 -4.206 -5.955 1.00 . A A . 48 LEU HB3 1 1 3 2220 1 1 46 LEU HD11 H -2.908 -2.906 -7.267 1.00 . A A . 48 LEU HD11 1 1 3 2221 1 1 46 LEU HD12 H -2.408 -1.283 -6.783 1.00 . A A . 48 LEU HD12 1 1 3 2222 1 1 46 LEU HD13 H -3.561 -2.181 -5.796 1.00 . A A . 48 LEU HD13 1 1 3 2223 1 1 46 LEU HD21 H -3.098 -3.190 -4.189 1.00 . A A . 48 LEU HD21 1 1 3 2224 1 1 46 LEU HD22 H -1.473 -3.233 -3.505 1.00 . A A . 48 LEU HD22 1 1 3 2225 1 1 46 LEU HD23 H -2.063 -4.591 -4.466 1.00 . A A . 48 LEU HD23 1 1 3 2226 1 1 46 LEU HG H -0.841 -2.078 -5.350 1.00 . A A . 48 LEU HG 1 1 3 2227 1 1 46 LEU N N 0.496 -4.228 -8.525 1.00 . A A . 48 LEU N 1 1 3 2228 1 1 46 LEU O O 1.347 -1.846 -7.251 1.00 . A A . 48 LEU O 1 1 3 2229 1 1 47 THR C C -0.724 1.380 -6.970 1.00 . A A . 49 THR C 1 1 3 2230 1 1 47 THR CA C 0.130 0.469 -7.863 1.00 . A A . 49 THR CA 1 1 3 2231 1 1 47 THR CB C 0.256 1.092 -9.255 1.00 . A A . 49 THR CB 1 1 3 2232 1 1 47 THR CG2 C 0.901 0.083 -10.208 1.00 . A A . 49 THR CG2 1 1 3 2233 1 1 47 THR H H -1.397 -0.981 -8.332 1.00 . A A . 49 THR H 1 1 3 2234 1 1 47 THR HA H 1.112 0.378 -7.432 1.00 . A A . 49 THR HA 1 1 3 2235 1 1 47 THR HB H 0.874 1.974 -9.200 1.00 . A A . 49 THR HB 1 1 3 2236 1 1 47 THR HG1 H -1.074 2.399 -9.797 1.00 . A A . 49 THR HG1 1 1 3 2237 1 1 47 THR HG21 H 0.697 0.372 -11.228 1.00 . A A . 49 THR HG21 1 1 3 2238 1 1 47 THR HG22 H 0.491 -0.898 -10.023 1.00 . A A . 49 THR HG22 1 1 3 2239 1 1 47 THR HG23 H 1.968 0.065 -10.044 1.00 . A A . 49 THR HG23 1 1 3 2240 1 1 47 THR N N -0.486 -0.886 -7.988 1.00 . A A . 49 THR N 1 1 3 2241 1 1 47 THR O O -1.417 0.938 -6.080 1.00 . A A . 49 THR O 1 1 3 2242 1 1 47 THR OG1 O -1.032 1.442 -9.736 1.00 . A A . 49 THR OG1 1 1 3 2243 1 1 48 LEU C C -2.552 4.217 -7.273 1.00 . A A . 50 LEU C 1 1 3 2244 1 1 48 LEU CA C -1.415 3.651 -6.408 1.00 . A A . 50 LEU CA 1 1 3 2245 1 1 48 LEU CB C -0.437 4.771 -5.991 1.00 . A A . 50 LEU CB 1 1 3 2246 1 1 48 LEU CD1 C -2.088 6.180 -4.734 1.00 . A A . 50 LEU CD1 1 1 3 2247 1 1 48 LEU CD2 C -0.071 7.230 -5.755 1.00 . A A . 50 LEU CD2 1 1 3 2248 1 1 48 LEU CG C -1.130 6.139 -5.925 1.00 . A A . 50 LEU CG 1 1 3 2249 1 1 48 LEU H H -0.074 2.967 -7.917 1.00 . A A . 50 LEU H 1 1 3 2250 1 1 48 LEU HA H -1.824 3.176 -5.530 1.00 . A A . 50 LEU HA 1 1 3 2251 1 1 48 LEU HB2 H -0.026 4.539 -5.022 1.00 . A A . 50 LEU HB2 1 1 3 2252 1 1 48 LEU HB3 H 0.367 4.820 -6.709 1.00 . A A . 50 LEU HB3 1 1 3 2253 1 1 48 LEU HD11 H -1.570 6.569 -3.871 1.00 . A A . 50 LEU HD11 1 1 3 2254 1 1 48 LEU HD12 H -2.443 5.182 -4.523 1.00 . A A . 50 LEU HD12 1 1 3 2255 1 1 48 LEU HD13 H -2.923 6.817 -4.969 1.00 . A A . 50 LEU HD13 1 1 3 2256 1 1 48 LEU HD21 H -0.556 8.171 -5.544 1.00 . A A . 50 LEU HD21 1 1 3 2257 1 1 48 LEU HD22 H 0.505 7.319 -6.664 1.00 . A A . 50 LEU HD22 1 1 3 2258 1 1 48 LEU HD23 H 0.585 6.971 -4.936 1.00 . A A . 50 LEU HD23 1 1 3 2259 1 1 48 LEU HG H -1.681 6.312 -6.837 1.00 . A A . 50 LEU HG 1 1 3 2260 1 1 48 LEU N N -0.651 2.656 -7.210 1.00 . A A . 50 LEU N 1 1 3 2261 1 1 48 LEU O O -2.395 4.428 -8.459 1.00 . A A . 50 LEU O 1 1 3 2262 1 1 49 SER C C -5.060 6.477 -6.993 1.00 . A A . 51 SER C 1 1 3 2263 1 1 49 SER CA C -4.819 5.046 -7.469 1.00 . A A . 51 SER CA 1 1 3 2264 1 1 49 SER CB C -6.078 4.207 -7.241 1.00 . A A . 51 SER CB 1 1 3 2265 1 1 49 SER H H -3.789 4.316 -5.725 1.00 . A A . 51 SER H 1 1 3 2266 1 1 49 SER HA H -4.568 5.051 -8.519 1.00 . A A . 51 SER HA 1 1 3 2267 1 1 49 SER HB2 H -5.800 3.224 -6.898 1.00 . A A . 51 SER HB2 1 1 3 2268 1 1 49 SER HB3 H -6.697 4.686 -6.495 1.00 . A A . 51 SER HB3 1 1 3 2269 1 1 49 SER HG H -7.300 4.894 -8.589 1.00 . A A . 51 SER HG 1 1 3 2270 1 1 49 SER N N -3.686 4.478 -6.684 1.00 . A A . 51 SER N 1 1 3 2271 1 1 49 SER O O -5.334 7.369 -7.770 1.00 . A A . 51 SER O 1 1 3 2272 1 1 49 SER OG O -6.791 4.091 -8.465 1.00 . A A . 51 SER OG 1 1 3 2273 1 1 50 HIS C C -4.990 7.994 -3.634 1.00 . A A . 52 HIS C 1 1 3 2274 1 1 50 HIS CA C -5.125 8.062 -5.162 1.00 . A A . 52 HIS CA 1 1 3 2275 1 1 50 HIS CB C -6.502 8.617 -5.597 1.00 . A A . 52 HIS CB 1 1 3 2276 1 1 50 HIS CD2 C -7.909 9.433 -3.526 1.00 . A A . 52 HIS CD2 1 1 3 2277 1 1 50 HIS CE1 C -9.051 7.623 -3.187 1.00 . A A . 52 HIS CE1 1 1 3 2278 1 1 50 HIS CG C -7.512 8.527 -4.480 1.00 . A A . 52 HIS CG 1 1 3 2279 1 1 50 HIS H H -4.694 5.962 -5.111 1.00 . A A . 52 HIS H 1 1 3 2280 1 1 50 HIS HA H -4.345 8.703 -5.551 1.00 . A A . 52 HIS HA 1 1 3 2281 1 1 50 HIS HB2 H -6.390 9.652 -5.886 1.00 . A A . 52 HIS HB2 1 1 3 2282 1 1 50 HIS HB3 H -6.858 8.050 -6.446 1.00 . A A . 52 HIS HB3 1 1 3 2283 1 1 50 HIS HD1 H -8.205 6.545 -4.753 1.00 . A A . 52 HIS HD1 1 1 3 2284 1 1 50 HIS HD2 H -7.524 10.437 -3.423 1.00 . A A . 52 HIS HD2 1 1 3 2285 1 1 50 HIS HE1 H -9.740 6.906 -2.771 1.00 . A A . 52 HIS HE1 1 1 3 2286 1 1 50 HIS N N -4.935 6.699 -5.714 1.00 . A A . 52 HIS N 1 1 3 2287 1 1 50 HIS ND1 N -8.253 7.380 -4.244 1.00 . A A . 52 HIS ND1 1 1 3 2288 1 1 50 HIS NE2 N -8.881 8.861 -2.713 1.00 . A A . 52 HIS NE2 1 1 3 2289 1 1 50 HIS O O -5.822 7.436 -2.947 1.00 . A A . 52 HIS O 1 1 3 2290 1 1 51 PHE C C -5.041 8.805 -0.923 1.00 . A A . 53 PHE C 1 1 3 2291 1 1 51 PHE CA C -3.718 8.513 -1.636 1.00 . A A . 53 PHE CA 1 1 3 2292 1 1 51 PHE CB C -2.683 9.575 -1.259 1.00 . A A . 53 PHE CB 1 1 3 2293 1 1 51 PHE CD1 C -0.893 9.322 -3.018 1.00 . A A . 53 PHE CD1 1 1 3 2294 1 1 51 PHE CD2 C -0.440 8.518 -0.775 1.00 . A A . 53 PHE CD2 1 1 3 2295 1 1 51 PHE CE1 C 0.382 8.911 -3.423 1.00 . A A . 53 PHE CE1 1 1 3 2296 1 1 51 PHE CE2 C 0.838 8.106 -1.182 1.00 . A A . 53 PHE CE2 1 1 3 2297 1 1 51 PHE CG C -1.305 9.127 -1.695 1.00 . A A . 53 PHE CG 1 1 3 2298 1 1 51 PHE CZ C 1.246 8.304 -2.508 1.00 . A A . 53 PHE CZ 1 1 3 2299 1 1 51 PHE H H -3.271 8.971 -3.683 1.00 . A A . 53 PHE H 1 1 3 2300 1 1 51 PHE HA H -3.357 7.538 -1.342 1.00 . A A . 53 PHE HA 1 1 3 2301 1 1 51 PHE HB2 H -2.929 10.506 -1.749 1.00 . A A . 53 PHE HB2 1 1 3 2302 1 1 51 PHE HB3 H -2.692 9.719 -0.194 1.00 . A A . 53 PHE HB3 1 1 3 2303 1 1 51 PHE HD1 H -1.559 9.791 -3.727 1.00 . A A . 53 PHE HD1 1 1 3 2304 1 1 51 PHE HD2 H -0.757 8.366 0.246 1.00 . A A . 53 PHE HD2 1 1 3 2305 1 1 51 PHE HE1 H 0.698 9.062 -4.444 1.00 . A A . 53 PHE HE1 1 1 3 2306 1 1 51 PHE HE2 H 1.509 7.635 -0.475 1.00 . A A . 53 PHE HE2 1 1 3 2307 1 1 51 PHE HZ H 2.229 7.990 -2.823 1.00 . A A . 53 PHE HZ 1 1 3 2308 1 1 51 PHE N N -3.933 8.544 -3.108 1.00 . A A . 53 PHE N 1 1 3 2309 1 1 51 PHE O O -5.403 9.943 -0.704 1.00 . A A . 53 PHE O 1 1 3 2310 1 1 52 GLY C C -7.890 6.698 0.050 1.00 . A A . 54 GLY C 1 1 3 2311 1 1 52 GLY CA C -7.072 7.988 0.123 1.00 . A A . 54 GLY CA 1 1 3 2312 1 1 52 GLY H H -5.457 6.871 -0.759 1.00 . A A . 54 GLY H 1 1 3 2313 1 1 52 GLY HA2 H -6.896 8.250 1.158 1.00 . A A . 54 GLY HA2 1 1 3 2314 1 1 52 GLY HA3 H -7.614 8.784 -0.364 1.00 . A A . 54 GLY HA3 1 1 3 2315 1 1 52 GLY N N -5.767 7.781 -0.566 1.00 . A A . 54 GLY N 1 1 3 2316 1 1 52 GLY O O -7.646 5.844 -0.780 1.00 . A A . 54 GLY O 1 1 3 2317 1 1 53 LYS C C -10.725 5.411 -0.230 1.00 . A A . 55 LYS C 1 1 3 2318 1 1 53 LYS CA C -9.686 5.306 0.887 1.00 . A A . 55 LYS CA 1 1 3 2319 1 1 53 LYS CB C -10.396 5.142 2.231 1.00 . A A . 55 LYS CB 1 1 3 2320 1 1 53 LYS CD C -10.619 7.035 3.848 1.00 . A A . 55 LYS CD 1 1 3 2321 1 1 53 LYS CE C -10.031 8.414 3.546 1.00 . A A . 55 LYS CE 1 1 3 2322 1 1 53 LYS CG C -11.170 6.421 2.560 1.00 . A A . 55 LYS CG 1 1 3 2323 1 1 53 LYS H H -9.039 7.243 1.574 1.00 . A A . 55 LYS H 1 1 3 2324 1 1 53 LYS HA H -9.051 4.451 0.708 1.00 . A A . 55 LYS HA 1 1 3 2325 1 1 53 LYS HB2 H -11.082 4.309 2.177 1.00 . A A . 55 LYS HB2 1 1 3 2326 1 1 53 LYS HB3 H -9.665 4.958 3.005 1.00 . A A . 55 LYS HB3 1 1 3 2327 1 1 53 LYS HD2 H -11.419 7.134 4.568 1.00 . A A . 55 LYS HD2 1 1 3 2328 1 1 53 LYS HD3 H -9.848 6.396 4.252 1.00 . A A . 55 LYS HD3 1 1 3 2329 1 1 53 LYS HE2 H -8.967 8.400 3.733 1.00 . A A . 55 LYS HE2 1 1 3 2330 1 1 53 LYS HE3 H -10.209 8.663 2.510 1.00 . A A . 55 LYS HE3 1 1 3 2331 1 1 53 LYS HG2 H -11.062 7.126 1.748 1.00 . A A . 55 LYS HG2 1 1 3 2332 1 1 53 LYS HG3 H -12.215 6.185 2.694 1.00 . A A . 55 LYS HG3 1 1 3 2333 1 1 53 LYS HZ1 H -11.255 10.073 3.840 1.00 . A A . 55 LYS HZ1 1 1 3 2334 1 1 53 LYS HZ2 H -9.944 9.977 4.917 1.00 . A A . 55 LYS HZ2 1 1 3 2335 1 1 53 LYS HZ3 H -11.286 8.956 5.116 1.00 . A A . 55 LYS HZ3 1 1 3 2336 1 1 53 LYS N N -8.857 6.544 0.911 1.00 . A A . 55 LYS N 1 1 3 2337 1 1 53 LYS NZ N -10.678 9.432 4.421 1.00 . A A . 55 LYS NZ 1 1 3 2338 1 1 53 LYS O O -11.318 6.449 -0.445 1.00 . A A . 55 LYS O 1 1 3 2339 1 1 54 CYS C C -13.300 3.875 -1.528 1.00 . A A . 56 CYS C 1 1 3 2340 1 1 54 CYS CA C -11.953 4.382 -2.046 1.00 . A A . 56 CYS CA 1 1 3 2341 1 1 54 CYS CB C -11.480 3.489 -3.197 1.00 . A A . 56 CYS CB 1 1 3 2342 1 1 54 CYS H H -10.462 3.513 -0.755 1.00 . A A . 56 CYS H 1 1 3 2343 1 1 54 CYS HA H -12.058 5.397 -2.397 1.00 . A A . 56 CYS HA 1 1 3 2344 1 1 54 CYS HB2 H -10.850 2.705 -2.809 1.00 . A A . 56 CYS HB2 1 1 3 2345 1 1 54 CYS HB3 H -12.335 3.054 -3.689 1.00 . A A . 56 CYS HB3 1 1 3 2346 1 1 54 CYS N N -10.951 4.341 -0.944 1.00 . A A . 56 CYS N 1 1 3 2347 1 1 54 CYS O O -14.306 4.488 -1.847 1.00 . A A . 56 CYS O 1 1 3 2348 1 1 54 CYS OXT O -13.304 2.882 -0.817 1.00 . A A . 56 CYS OXT 1 1 3 2349 1 1 54 CYS SG S -10.542 4.484 -4.383 1.00 . A A . 56 CYS SG 1 1 4 2350 1 1 1 ALA C C 6.086 2.904 -9.313 1.00 . A A . 3 ALA C 1 1 4 2351 1 1 1 ALA CA C 7.535 2.431 -9.417 1.00 . A A . 3 ALA CA 1 1 4 2352 1 1 1 ALA CB C 7.591 0.916 -9.207 1.00 . A A . 3 ALA CB 1 1 4 2353 1 1 1 ALA H1 H 7.983 4.069 -8.212 1.00 . A A . 3 ALA H1 1 1 4 2354 1 1 1 ALA H2 H 9.341 3.164 -8.684 1.00 . A A . 3 ALA H2 1 1 4 2355 1 1 1 ALA H3 H 8.295 2.570 -7.484 1.00 . A A . 3 ALA H3 1 1 4 2356 1 1 1 ALA HA H 7.927 2.675 -10.393 1.00 . A A . 3 ALA HA 1 1 4 2357 1 1 1 ALA HB1 H 7.045 0.655 -8.312 1.00 . A A . 3 ALA HB1 1 1 4 2358 1 1 1 ALA HB2 H 8.620 0.604 -9.105 1.00 . A A . 3 ALA HB2 1 1 4 2359 1 1 1 ALA HB3 H 7.147 0.419 -10.057 1.00 . A A . 3 ALA HB3 1 1 4 2360 1 1 1 ALA N N 8.350 3.110 -8.369 1.00 . A A . 3 ALA N 1 1 4 2361 1 1 1 ALA O O 5.343 2.874 -10.273 1.00 . A A . 3 ALA O 1 1 4 2362 1 1 2 VAL C C 4.271 5.092 -7.149 1.00 . A A . 4 VAL C 1 1 4 2363 1 1 2 VAL CA C 4.277 3.809 -7.987 1.00 . A A . 4 VAL CA 1 1 4 2364 1 1 2 VAL CB C 3.453 2.696 -7.308 1.00 . A A . 4 VAL CB 1 1 4 2365 1 1 2 VAL CG1 C 3.254 2.984 -5.813 1.00 . A A . 4 VAL CG1 1 1 4 2366 1 1 2 VAL CG2 C 2.087 2.595 -7.988 1.00 . A A . 4 VAL CG2 1 1 4 2367 1 1 2 VAL H H 6.293 3.350 -7.390 1.00 . A A . 4 VAL H 1 1 4 2368 1 1 2 VAL HA H 3.858 4.020 -8.957 1.00 . A A . 4 VAL HA 1 1 4 2369 1 1 2 VAL HB H 3.973 1.755 -7.419 1.00 . A A . 4 VAL HB 1 1 4 2370 1 1 2 VAL HG11 H 4.211 2.956 -5.311 1.00 . A A . 4 VAL HG11 1 1 4 2371 1 1 2 VAL HG12 H 2.603 2.237 -5.387 1.00 . A A . 4 VAL HG12 1 1 4 2372 1 1 2 VAL HG13 H 2.811 3.960 -5.689 1.00 . A A . 4 VAL HG13 1 1 4 2373 1 1 2 VAL HG21 H 1.347 2.292 -7.263 1.00 . A A . 4 VAL HG21 1 1 4 2374 1 1 2 VAL HG22 H 2.133 1.863 -8.782 1.00 . A A . 4 VAL HG22 1 1 4 2375 1 1 2 VAL HG23 H 1.817 3.556 -8.399 1.00 . A A . 4 VAL HG23 1 1 4 2376 1 1 2 VAL N N 5.678 3.339 -8.153 1.00 . A A . 4 VAL N 1 1 4 2377 1 1 2 VAL O O 3.652 6.077 -7.499 1.00 . A A . 4 VAL O 1 1 4 2378 1 1 3 SER C C 5.790 5.961 -3.901 1.00 . A A . 5 SER C 1 1 4 2379 1 1 3 SER CA C 5.005 6.288 -5.173 1.00 . A A . 5 SER CA 1 1 4 2380 1 1 3 SER CB C 3.580 6.699 -4.801 1.00 . A A . 5 SER CB 1 1 4 2381 1 1 3 SER H H 5.449 4.273 -5.786 1.00 . A A . 5 SER H 1 1 4 2382 1 1 3 SER HA H 5.489 7.097 -5.699 1.00 . A A . 5 SER HA 1 1 4 2383 1 1 3 SER HB2 H 3.033 6.955 -5.692 1.00 . A A . 5 SER HB2 1 1 4 2384 1 1 3 SER HB3 H 3.088 5.875 -4.304 1.00 . A A . 5 SER HB3 1 1 4 2385 1 1 3 SER HG H 2.813 7.849 -3.432 1.00 . A A . 5 SER HG 1 1 4 2386 1 1 3 SER N N 4.961 5.082 -6.044 1.00 . A A . 5 SER N 1 1 4 2387 1 1 3 SER O O 6.782 6.592 -3.592 1.00 . A A . 5 SER O 1 1 4 2388 1 1 3 SER OG O 3.628 7.830 -3.941 1.00 . A A . 5 SER OG 1 1 4 2389 1 1 4 VAL C C 7.197 3.617 -2.252 1.00 . A A . 6 VAL C 1 1 4 2390 1 1 4 VAL CA C 6.078 4.604 -1.913 1.00 . A A . 6 VAL CA 1 1 4 2391 1 1 4 VAL CB C 5.098 3.952 -0.935 1.00 . A A . 6 VAL CB 1 1 4 2392 1 1 4 VAL CG1 C 3.973 4.932 -0.610 1.00 . A A . 6 VAL CG1 1 1 4 2393 1 1 4 VAL CG2 C 4.508 2.691 -1.574 1.00 . A A . 6 VAL CG2 1 1 4 2394 1 1 4 VAL H H 4.556 4.479 -3.432 1.00 . A A . 6 VAL H 1 1 4 2395 1 1 4 VAL HA H 6.500 5.490 -1.463 1.00 . A A . 6 VAL HA 1 1 4 2396 1 1 4 VAL HB H 5.618 3.688 -0.027 1.00 . A A . 6 VAL HB 1 1 4 2397 1 1 4 VAL HG11 H 4.059 5.803 -1.244 1.00 . A A . 6 VAL HG11 1 1 4 2398 1 1 4 VAL HG12 H 4.044 5.233 0.425 1.00 . A A . 6 VAL HG12 1 1 4 2399 1 1 4 VAL HG13 H 3.019 4.456 -0.781 1.00 . A A . 6 VAL HG13 1 1 4 2400 1 1 4 VAL HG21 H 3.497 2.891 -1.896 1.00 . A A . 6 VAL HG21 1 1 4 2401 1 1 4 VAL HG22 H 4.504 1.889 -0.853 1.00 . A A . 6 VAL HG22 1 1 4 2402 1 1 4 VAL HG23 H 5.107 2.406 -2.427 1.00 . A A . 6 VAL HG23 1 1 4 2403 1 1 4 VAL N N 5.356 4.977 -3.162 1.00 . A A . 6 VAL N 1 1 4 2404 1 1 4 VAL O O 7.248 3.074 -3.337 1.00 . A A . 6 VAL O 1 1 4 2405 1 1 5 ASP C C 8.837 1.033 -1.112 1.00 . A A . 7 ASP C 1 1 4 2406 1 1 5 ASP CA C 9.211 2.430 -1.615 1.00 . A A . 7 ASP CA 1 1 4 2407 1 1 5 ASP CB C 10.479 2.904 -0.903 1.00 . A A . 7 ASP CB 1 1 4 2408 1 1 5 ASP CG C 11.705 2.286 -1.578 1.00 . A A . 7 ASP CG 1 1 4 2409 1 1 5 ASP H H 8.040 3.829 -0.466 1.00 . A A . 7 ASP H 1 1 4 2410 1 1 5 ASP HA H 9.390 2.391 -2.680 1.00 . A A . 7 ASP HA 1 1 4 2411 1 1 5 ASP HB2 H 10.541 3.982 -0.958 1.00 . A A . 7 ASP HB2 1 1 4 2412 1 1 5 ASP HB3 H 10.447 2.596 0.132 1.00 . A A . 7 ASP HB3 1 1 4 2413 1 1 5 ASP N N 8.096 3.380 -1.336 1.00 . A A . 7 ASP N 1 1 4 2414 1 1 5 ASP O O 8.686 0.810 0.072 1.00 . A A . 7 ASP O 1 1 4 2415 1 1 5 ASP OD1 O 11.595 1.912 -2.735 1.00 . A A . 7 ASP OD1 1 1 4 2416 1 1 5 ASP OD2 O 12.733 2.198 -0.927 1.00 . A A . 7 ASP OD2 1 1 4 2417 1 1 6 CYS C C 9.454 -2.252 -1.962 1.00 . A A . 8 CYS C 1 1 4 2418 1 1 6 CYS CA C 8.328 -1.289 -1.580 1.00 . A A . 8 CYS CA 1 1 4 2419 1 1 6 CYS CB C 7.034 -1.714 -2.276 1.00 . A A . 8 CYS CB 1 1 4 2420 1 1 6 CYS H H 8.817 0.295 -2.955 1.00 . A A . 8 CYS H 1 1 4 2421 1 1 6 CYS HA H 8.185 -1.309 -0.509 1.00 . A A . 8 CYS HA 1 1 4 2422 1 1 6 CYS HB2 H 7.215 -1.823 -3.335 1.00 . A A . 8 CYS HB2 1 1 4 2423 1 1 6 CYS HB3 H 6.699 -2.658 -1.869 1.00 . A A . 8 CYS HB3 1 1 4 2424 1 1 6 CYS N N 8.689 0.093 -2.004 1.00 . A A . 8 CYS N 1 1 4 2425 1 1 6 CYS O O 9.216 -3.389 -2.318 1.00 . A A . 8 CYS O 1 1 4 2426 1 1 6 CYS SG S 5.763 -0.456 -2.006 1.00 . A A . 8 CYS SG 1 1 4 2427 1 1 7 SER C C 12.280 -3.465 -1.008 1.00 . A A . 9 SER C 1 1 4 2428 1 1 7 SER CA C 11.815 -2.702 -2.252 1.00 . A A . 9 SER CA 1 1 4 2429 1 1 7 SER CB C 12.972 -1.864 -2.796 1.00 . A A . 9 SER CB 1 1 4 2430 1 1 7 SER H H 10.852 -0.888 -1.602 1.00 . A A . 9 SER H 1 1 4 2431 1 1 7 SER HA H 11.495 -3.406 -3.006 1.00 . A A . 9 SER HA 1 1 4 2432 1 1 7 SER HB2 H 12.723 -0.819 -2.730 1.00 . A A . 9 SER HB2 1 1 4 2433 1 1 7 SER HB3 H 13.862 -2.057 -2.210 1.00 . A A . 9 SER HB3 1 1 4 2434 1 1 7 SER HG H 12.415 -1.972 -4.657 1.00 . A A . 9 SER HG 1 1 4 2435 1 1 7 SER N N 10.679 -1.809 -1.891 1.00 . A A . 9 SER N 1 1 4 2436 1 1 7 SER O O 13.267 -4.171 -1.035 1.00 . A A . 9 SER O 1 1 4 2437 1 1 7 SER OG O 13.201 -2.206 -4.156 1.00 . A A . 9 SER OG 1 1 4 2438 1 1 8 GLU C C 10.767 -4.766 1.915 1.00 . A A . 10 GLU C 1 1 4 2439 1 1 8 GLU CA C 11.980 -4.045 1.326 1.00 . A A . 10 GLU CA 1 1 4 2440 1 1 8 GLU CB C 12.525 -3.042 2.350 1.00 . A A . 10 GLU CB 1 1 4 2441 1 1 8 GLU CD C 12.624 -0.934 1.010 1.00 . A A . 10 GLU CD 1 1 4 2442 1 1 8 GLU CG C 11.881 -1.672 2.126 1.00 . A A . 10 GLU CG 1 1 4 2443 1 1 8 GLU H H 10.783 -2.752 0.086 1.00 . A A . 10 GLU H 1 1 4 2444 1 1 8 GLU HA H 12.747 -4.769 1.089 1.00 . A A . 10 GLU HA 1 1 4 2445 1 1 8 GLU HB2 H 12.297 -3.388 3.346 1.00 . A A . 10 GLU HB2 1 1 4 2446 1 1 8 GLU HB3 H 13.595 -2.957 2.233 1.00 . A A . 10 GLU HB3 1 1 4 2447 1 1 8 GLU HG2 H 10.845 -1.801 1.845 1.00 . A A . 10 GLU HG2 1 1 4 2448 1 1 8 GLU HG3 H 11.937 -1.092 3.035 1.00 . A A . 10 GLU HG3 1 1 4 2449 1 1 8 GLU N N 11.576 -3.328 0.083 1.00 . A A . 10 GLU N 1 1 4 2450 1 1 8 GLU O O 10.481 -4.661 3.092 1.00 . A A . 10 GLU O 1 1 4 2451 1 1 8 GLU OE1 O 13.818 -1.147 0.879 1.00 . A A . 10 GLU OE1 1 1 4 2452 1 1 8 GLU OE2 O 11.987 -0.169 0.304 1.00 . A A . 10 GLU OE2 1 1 4 2453 1 1 9 TYR C C 8.983 -7.714 1.275 1.00 . A A . 11 TYR C 1 1 4 2454 1 1 9 TYR CA C 8.857 -6.227 1.620 1.00 . A A . 11 TYR CA 1 1 4 2455 1 1 9 TYR CB C 7.594 -5.651 0.981 1.00 . A A . 11 TYR CB 1 1 4 2456 1 1 9 TYR CD1 C 7.715 -3.237 1.694 1.00 . A A . 11 TYR CD1 1 1 4 2457 1 1 9 TYR CD2 C 6.032 -4.666 2.700 1.00 . A A . 11 TYR CD2 1 1 4 2458 1 1 9 TYR CE1 C 7.261 -2.161 2.466 1.00 . A A . 11 TYR CE1 1 1 4 2459 1 1 9 TYR CE2 C 5.580 -3.590 3.471 1.00 . A A . 11 TYR CE2 1 1 4 2460 1 1 9 TYR CG C 7.100 -4.490 1.810 1.00 . A A . 11 TYR CG 1 1 4 2461 1 1 9 TYR CZ C 6.194 -2.337 3.354 1.00 . A A . 11 TYR CZ 1 1 4 2462 1 1 9 TYR H H 10.299 -5.571 0.162 1.00 . A A . 11 TYR H 1 1 4 2463 1 1 9 TYR HA H 8.802 -6.112 2.693 1.00 . A A . 11 TYR HA 1 1 4 2464 1 1 9 TYR HB2 H 7.819 -5.310 -0.019 1.00 . A A . 11 TYR HB2 1 1 4 2465 1 1 9 TYR HB3 H 6.829 -6.413 0.937 1.00 . A A . 11 TYR HB3 1 1 4 2466 1 1 9 TYR HD1 H 8.537 -3.102 1.008 1.00 . A A . 11 TYR HD1 1 1 4 2467 1 1 9 TYR HD2 H 5.558 -5.634 2.789 1.00 . A A . 11 TYR HD2 1 1 4 2468 1 1 9 TYR HE1 H 7.735 -1.195 2.375 1.00 . A A . 11 TYR HE1 1 1 4 2469 1 1 9 TYR HE2 H 4.757 -3.726 4.157 1.00 . A A . 11 TYR HE2 1 1 4 2470 1 1 9 TYR HH H 6.488 -0.953 4.637 1.00 . A A . 11 TYR HH 1 1 4 2471 1 1 9 TYR N N 10.051 -5.499 1.106 1.00 . A A . 11 TYR N 1 1 4 2472 1 1 9 TYR O O 9.771 -8.087 0.429 1.00 . A A . 11 TYR O 1 1 4 2473 1 1 9 TYR OH O 5.749 -1.275 4.115 1.00 . A A . 11 TYR OH 1 1 4 2474 1 1 10 PRO C C 7.988 -7.677 4.264 1.00 . A A . 12 PRO C 1 1 4 2475 1 1 10 PRO CA C 7.253 -8.054 2.977 1.00 . A A . 12 PRO CA 1 1 4 2476 1 1 10 PRO CB C 6.342 -9.264 3.199 1.00 . A A . 12 PRO CB 1 1 4 2477 1 1 10 PRO CD C 8.219 -9.984 1.760 1.00 . A A . 12 PRO CD 1 1 4 2478 1 1 10 PRO CG C 7.141 -10.502 2.729 1.00 . A A . 12 PRO CG 1 1 4 2479 1 1 10 PRO HA H 6.677 -7.222 2.610 1.00 . A A . 12 PRO HA 1 1 4 2480 1 1 10 PRO HB2 H 6.096 -9.352 4.248 1.00 . A A . 12 PRO HB2 1 1 4 2481 1 1 10 PRO HB3 H 5.443 -9.166 2.612 1.00 . A A . 12 PRO HB3 1 1 4 2482 1 1 10 PRO HD2 H 9.187 -10.394 2.019 1.00 . A A . 12 PRO HD2 1 1 4 2483 1 1 10 PRO HD3 H 7.963 -10.228 0.742 1.00 . A A . 12 PRO HD3 1 1 4 2484 1 1 10 PRO HG2 H 7.602 -10.988 3.579 1.00 . A A . 12 PRO HG2 1 1 4 2485 1 1 10 PRO HG3 H 6.489 -11.191 2.215 1.00 . A A . 12 PRO HG3 1 1 4 2486 1 1 10 PRO N N 8.206 -8.521 1.952 1.00 . A A . 12 PRO N 1 1 4 2487 1 1 10 PRO O O 9.151 -7.984 4.444 1.00 . A A . 12 PRO O 1 1 4 2488 1 1 11 LYS C C 7.553 -7.559 7.555 1.00 . A A . 13 LYS C 1 1 4 2489 1 1 11 LYS CA C 7.976 -6.606 6.435 1.00 . A A . 13 LYS CA 1 1 4 2490 1 1 11 LYS CB C 7.556 -5.181 6.801 1.00 . A A . 13 LYS CB 1 1 4 2491 1 1 11 LYS CD C 9.126 -3.826 5.411 1.00 . A A . 13 LYS CD 1 1 4 2492 1 1 11 LYS CE C 9.533 -2.978 6.618 1.00 . A A . 13 LYS CE 1 1 4 2493 1 1 11 LYS CG C 7.675 -4.279 5.571 1.00 . A A . 13 LYS CG 1 1 4 2494 1 1 11 LYS H H 6.382 -6.767 4.996 1.00 . A A . 13 LYS H 1 1 4 2495 1 1 11 LYS HA H 9.048 -6.645 6.315 1.00 . A A . 13 LYS HA 1 1 4 2496 1 1 11 LYS HB2 H 6.532 -5.187 7.147 1.00 . A A . 13 LYS HB2 1 1 4 2497 1 1 11 LYS HB3 H 8.197 -4.807 7.585 1.00 . A A . 13 LYS HB3 1 1 4 2498 1 1 11 LYS HD2 H 9.768 -4.694 5.345 1.00 . A A . 13 LYS HD2 1 1 4 2499 1 1 11 LYS HD3 H 9.223 -3.238 4.511 1.00 . A A . 13 LYS HD3 1 1 4 2500 1 1 11 LYS HE2 H 8.783 -2.224 6.796 1.00 . A A . 13 LYS HE2 1 1 4 2501 1 1 11 LYS HE3 H 9.620 -3.611 7.489 1.00 . A A . 13 LYS HE3 1 1 4 2502 1 1 11 LYS HG2 H 7.366 -4.827 4.693 1.00 . A A . 13 LYS HG2 1 1 4 2503 1 1 11 LYS HG3 H 7.041 -3.414 5.698 1.00 . A A . 13 LYS HG3 1 1 4 2504 1 1 11 LYS HZ1 H 11.613 -3.003 6.512 1.00 . A A . 13 LYS HZ1 1 1 4 2505 1 1 11 LYS HZ2 H 10.960 -1.506 6.983 1.00 . A A . 13 LYS HZ2 1 1 4 2506 1 1 11 LYS HZ3 H 10.875 -2.002 5.360 1.00 . A A . 13 LYS HZ3 1 1 4 2507 1 1 11 LYS N N 7.318 -7.007 5.162 1.00 . A A . 13 LYS N 1 1 4 2508 1 1 11 LYS NZ N 10.844 -2.323 6.347 1.00 . A A . 13 LYS NZ 1 1 4 2509 1 1 11 LYS O O 6.453 -8.075 7.546 1.00 . A A . 13 LYS O 1 1 4 2510 1 1 12 PRO C C 7.325 -7.906 10.678 1.00 . A A . 14 PRO C 1 1 4 2511 1 1 12 PRO CA C 8.197 -8.632 9.649 1.00 . A A . 14 PRO CA 1 1 4 2512 1 1 12 PRO CB C 9.598 -8.894 10.207 1.00 . A A . 14 PRO CB 1 1 4 2513 1 1 12 PRO CD C 9.779 -7.121 8.487 1.00 . A A . 14 PRO CD 1 1 4 2514 1 1 12 PRO CG C 10.490 -7.730 9.711 1.00 . A A . 14 PRO CG 1 1 4 2515 1 1 12 PRO HA H 7.741 -9.558 9.339 1.00 . A A . 14 PRO HA 1 1 4 2516 1 1 12 PRO HB2 H 9.569 -8.910 11.288 1.00 . A A . 14 PRO HB2 1 1 4 2517 1 1 12 PRO HB3 H 9.980 -9.830 9.829 1.00 . A A . 14 PRO HB3 1 1 4 2518 1 1 12 PRO HD2 H 9.692 -6.048 8.596 1.00 . A A . 14 PRO HD2 1 1 4 2519 1 1 12 PRO HD3 H 10.305 -7.370 7.579 1.00 . A A . 14 PRO HD3 1 1 4 2520 1 1 12 PRO HG2 H 10.595 -6.988 10.490 1.00 . A A . 14 PRO HG2 1 1 4 2521 1 1 12 PRO HG3 H 11.460 -8.103 9.419 1.00 . A A . 14 PRO HG3 1 1 4 2522 1 1 12 PRO N N 8.443 -7.755 8.494 1.00 . A A . 14 PRO N 1 1 4 2523 1 1 12 PRO O O 6.860 -8.490 11.638 1.00 . A A . 14 PRO O 1 1 4 2524 1 1 13 ALA C C 5.847 -4.546 10.772 1.00 . A A . 15 ALA C 1 1 4 2525 1 1 13 ALA CA C 6.267 -5.858 11.435 1.00 . A A . 15 ALA CA 1 1 4 2526 1 1 13 ALA CB C 7.077 -5.557 12.698 1.00 . A A . 15 ALA CB 1 1 4 2527 1 1 13 ALA H H 7.491 -6.189 9.699 1.00 . A A . 15 ALA H 1 1 4 2528 1 1 13 ALA HA H 5.388 -6.429 11.696 1.00 . A A . 15 ALA HA 1 1 4 2529 1 1 13 ALA HB1 H 8.035 -5.142 12.419 1.00 . A A . 15 ALA HB1 1 1 4 2530 1 1 13 ALA HB2 H 7.228 -6.470 13.254 1.00 . A A . 15 ALA HB2 1 1 4 2531 1 1 13 ALA HB3 H 6.540 -4.847 13.309 1.00 . A A . 15 ALA HB3 1 1 4 2532 1 1 13 ALA N N 7.105 -6.635 10.480 1.00 . A A . 15 ALA N 1 1 4 2533 1 1 13 ALA O O 6.541 -4.021 9.924 1.00 . A A . 15 ALA O 1 1 4 2534 1 1 14 CYS C C 3.656 -1.823 11.580 1.00 . A A . 16 CYS C 1 1 4 2535 1 1 14 CYS CA C 4.266 -2.739 10.519 1.00 . A A . 16 CYS CA 1 1 4 2536 1 1 14 CYS CB C 3.225 -3.042 9.440 1.00 . A A . 16 CYS CB 1 1 4 2537 1 1 14 CYS H H 4.166 -4.449 11.826 1.00 . A A . 16 CYS H 1 1 4 2538 1 1 14 CYS HA H 5.113 -2.244 10.067 1.00 . A A . 16 CYS HA 1 1 4 2539 1 1 14 CYS HB2 H 2.593 -3.857 9.763 1.00 . A A . 16 CYS HB2 1 1 4 2540 1 1 14 CYS HB3 H 2.620 -2.164 9.262 1.00 . A A . 16 CYS HB3 1 1 4 2541 1 1 14 CYS N N 4.716 -4.012 11.143 1.00 . A A . 16 CYS N 1 1 4 2542 1 1 14 CYS O O 3.031 -2.271 12.519 1.00 . A A . 16 CYS O 1 1 4 2543 1 1 14 CYS SG S 4.075 -3.505 7.914 1.00 . A A . 16 CYS SG 1 1 4 2544 1 1 15 THR C C 1.752 0.473 12.275 1.00 . A A . 17 THR C 1 1 4 2545 1 1 15 THR CA C 3.274 0.416 12.427 1.00 . A A . 17 THR CA 1 1 4 2546 1 1 15 THR CB C 3.856 1.813 12.185 1.00 . A A . 17 THR CB 1 1 4 2547 1 1 15 THR CG2 C 4.655 2.252 13.414 1.00 . A A . 17 THR CG2 1 1 4 2548 1 1 15 THR H H 4.346 -0.208 10.664 1.00 . A A . 17 THR H 1 1 4 2549 1 1 15 THR HA H 3.525 0.088 13.423 1.00 . A A . 17 THR HA 1 1 4 2550 1 1 15 THR HB H 3.053 2.512 12.016 1.00 . A A . 17 THR HB 1 1 4 2551 1 1 15 THR HG1 H 4.222 2.147 10.305 1.00 . A A . 17 THR HG1 1 1 4 2552 1 1 15 THR HG21 H 5.323 3.056 13.140 1.00 . A A . 17 THR HG21 1 1 4 2553 1 1 15 THR HG22 H 5.228 1.418 13.787 1.00 . A A . 17 THR HG22 1 1 4 2554 1 1 15 THR HG23 H 3.975 2.594 14.181 1.00 . A A . 17 THR HG23 1 1 4 2555 1 1 15 THR N N 3.837 -0.540 11.433 1.00 . A A . 17 THR N 1 1 4 2556 1 1 15 THR O O 1.204 0.087 11.263 1.00 . A A . 17 THR O 1 1 4 2557 1 1 15 THR OG1 O 4.709 1.786 11.049 1.00 . A A . 17 THR OG1 1 1 4 2558 1 1 16 MET C C -0.810 2.402 12.589 1.00 . A A . 18 MET C 1 1 4 2559 1 1 16 MET CA C -0.419 1.048 13.184 1.00 . A A . 18 MET CA 1 1 4 2560 1 1 16 MET CB C -1.026 0.916 14.583 1.00 . A A . 18 MET CB 1 1 4 2561 1 1 16 MET CE C -2.671 -2.234 16.528 1.00 . A A . 18 MET CE 1 1 4 2562 1 1 16 MET CG C -1.691 -0.453 14.728 1.00 . A A . 18 MET CG 1 1 4 2563 1 1 16 MET H H 1.527 1.270 14.081 1.00 . A A . 18 MET H 1 1 4 2564 1 1 16 MET HA H -0.792 0.254 12.552 1.00 . A A . 18 MET HA 1 1 4 2565 1 1 16 MET HB2 H -0.246 1.018 15.323 1.00 . A A . 18 MET HB2 1 1 4 2566 1 1 16 MET HB3 H -1.765 1.690 14.729 1.00 . A A . 18 MET HB3 1 1 4 2567 1 1 16 MET HE1 H -2.763 -2.504 17.572 1.00 . A A . 18 MET HE1 1 1 4 2568 1 1 16 MET HE2 H -2.572 -3.128 15.935 1.00 . A A . 18 MET HE2 1 1 4 2569 1 1 16 MET HE3 H -3.548 -1.688 16.211 1.00 . A A . 18 MET HE3 1 1 4 2570 1 1 16 MET HG2 H -2.765 -0.336 14.701 1.00 . A A . 18 MET HG2 1 1 4 2571 1 1 16 MET HG3 H -1.378 -1.093 13.916 1.00 . A A . 18 MET HG3 1 1 4 2572 1 1 16 MET N N 1.065 0.959 13.274 1.00 . A A . 18 MET N 1 1 4 2573 1 1 16 MET O O -1.900 2.893 12.799 1.00 . A A . 18 MET O 1 1 4 2574 1 1 16 MET SD S -1.204 -1.196 16.304 1.00 . A A . 18 MET SD 1 1 4 2575 1 1 17 GLU C C -1.576 4.260 10.508 1.00 . A A . 19 GLU C 1 1 4 2576 1 1 17 GLU CA C -0.238 4.335 11.244 1.00 . A A . 19 GLU CA 1 1 4 2577 1 1 17 GLU CB C 0.869 4.718 10.256 1.00 . A A . 19 GLU CB 1 1 4 2578 1 1 17 GLU CD C 0.291 7.151 10.270 1.00 . A A . 19 GLU CD 1 1 4 2579 1 1 17 GLU CG C 0.409 5.900 9.397 1.00 . A A . 19 GLU CG 1 1 4 2580 1 1 17 GLU H H 0.952 2.598 11.693 1.00 . A A . 19 GLU H 1 1 4 2581 1 1 17 GLU HA H -0.298 5.081 12.024 1.00 . A A . 19 GLU HA 1 1 4 2582 1 1 17 GLU HB2 H 1.758 4.995 10.803 1.00 . A A . 19 GLU HB2 1 1 4 2583 1 1 17 GLU HB3 H 1.088 3.877 9.617 1.00 . A A . 19 GLU HB3 1 1 4 2584 1 1 17 GLU HG2 H 1.128 6.076 8.612 1.00 . A A . 19 GLU HG2 1 1 4 2585 1 1 17 GLU HG3 H -0.553 5.677 8.961 1.00 . A A . 19 GLU HG3 1 1 4 2586 1 1 17 GLU N N 0.077 3.011 11.849 1.00 . A A . 19 GLU N 1 1 4 2587 1 1 17 GLU O O -1.972 3.220 10.021 1.00 . A A . 19 GLU O 1 1 4 2588 1 1 17 GLU OE1 O 0.743 7.103 11.402 1.00 . A A . 19 GLU OE1 1 1 4 2589 1 1 17 GLU OE2 O -0.249 8.135 9.793 1.00 . A A . 19 GLU OE2 1 1 4 2590 1 1 18 TYR C C -3.419 6.065 8.362 1.00 . A A . 20 TYR C 1 1 4 2591 1 1 18 TYR CA C -3.577 5.364 9.705 1.00 . A A . 20 TYR CA 1 1 4 2592 1 1 18 TYR CB C -4.609 6.115 10.523 1.00 . A A . 20 TYR CB 1 1 4 2593 1 1 18 TYR CD1 C -6.501 5.227 9.116 1.00 . A A . 20 TYR CD1 1 1 4 2594 1 1 18 TYR CD2 C -6.660 5.050 11.528 1.00 . A A . 20 TYR CD2 1 1 4 2595 1 1 18 TYR CE1 C -7.751 4.607 8.988 1.00 . A A . 20 TYR CE1 1 1 4 2596 1 1 18 TYR CE2 C -7.909 4.432 11.402 1.00 . A A . 20 TYR CE2 1 1 4 2597 1 1 18 TYR CG C -5.956 5.447 10.385 1.00 . A A . 20 TYR CG 1 1 4 2598 1 1 18 TYR CZ C -8.455 4.210 10.132 1.00 . A A . 20 TYR CZ 1 1 4 2599 1 1 18 TYR H H -1.925 6.191 10.811 1.00 . A A . 20 TYR H 1 1 4 2600 1 1 18 TYR HA H -3.907 4.348 9.548 1.00 . A A . 20 TYR HA 1 1 4 2601 1 1 18 TYR HB2 H -4.309 6.123 11.555 1.00 . A A . 20 TYR HB2 1 1 4 2602 1 1 18 TYR HB3 H -4.672 7.125 10.155 1.00 . A A . 20 TYR HB3 1 1 4 2603 1 1 18 TYR HD1 H -5.960 5.533 8.234 1.00 . A A . 20 TYR HD1 1 1 4 2604 1 1 18 TYR HD2 H -6.238 5.220 12.508 1.00 . A A . 20 TYR HD2 1 1 4 2605 1 1 18 TYR HE1 H -8.172 4.438 8.008 1.00 . A A . 20 TYR HE1 1 1 4 2606 1 1 18 TYR HE2 H -8.451 4.124 12.284 1.00 . A A . 20 TYR HE2 1 1 4 2607 1 1 18 TYR HH H -10.355 4.285 9.952 1.00 . A A . 20 TYR HH 1 1 4 2608 1 1 18 TYR N N -2.269 5.362 10.417 1.00 . A A . 20 TYR N 1 1 4 2609 1 1 18 TYR O O -3.615 7.257 8.237 1.00 . A A . 20 TYR O 1 1 4 2610 1 1 18 TYR OH O -9.686 3.598 10.007 1.00 . A A . 20 TYR OH 1 1 4 2611 1 1 19 ARG C C -3.635 5.051 4.988 1.00 . A A . 21 ARG C 1 1 4 2612 1 1 19 ARG CA C -2.895 5.917 6.012 1.00 . A A . 21 ARG CA 1 1 4 2613 1 1 19 ARG CB C -1.404 5.960 5.665 1.00 . A A . 21 ARG CB 1 1 4 2614 1 1 19 ARG CD C 0.392 7.478 4.811 1.00 . A A . 21 ARG CD 1 1 4 2615 1 1 19 ARG CG C -1.112 7.196 4.811 1.00 . A A . 21 ARG CG 1 1 4 2616 1 1 19 ARG CZ C 1.723 9.491 5.026 1.00 . A A . 21 ARG CZ 1 1 4 2617 1 1 19 ARG H H -2.927 4.374 7.511 1.00 . A A . 21 ARG H 1 1 4 2618 1 1 19 ARG HA H -3.297 6.920 6.000 1.00 . A A . 21 ARG HA 1 1 4 2619 1 1 19 ARG HB2 H -0.823 6.007 6.575 1.00 . A A . 21 ARG HB2 1 1 4 2620 1 1 19 ARG HB3 H -1.136 5.072 5.112 1.00 . A A . 21 ARG HB3 1 1 4 2621 1 1 19 ARG HD2 H 0.896 6.741 5.420 1.00 . A A . 21 ARG HD2 1 1 4 2622 1 1 19 ARG HD3 H 0.768 7.427 3.801 1.00 . A A . 21 ARG HD3 1 1 4 2623 1 1 19 ARG HE H 0.002 9.242 5.987 1.00 . A A . 21 ARG HE 1 1 4 2624 1 1 19 ARG HG2 H -1.446 7.019 3.797 1.00 . A A . 21 ARG HG2 1 1 4 2625 1 1 19 ARG HG3 H -1.635 8.048 5.219 1.00 . A A . 21 ARG HG3 1 1 4 2626 1 1 19 ARG HH11 H 2.923 7.897 5.178 1.00 . A A . 21 ARG HH11 1 1 4 2627 1 1 19 ARG HH12 H 3.695 9.373 4.703 1.00 . A A . 21 ARG HH12 1 1 4 2628 1 1 19 ARG HH21 H 0.775 11.239 4.797 1.00 . A A . 21 ARG HH21 1 1 4 2629 1 1 19 ARG HH22 H 2.479 11.265 4.489 1.00 . A A . 21 ARG HH22 1 1 4 2630 1 1 19 ARG N N -3.070 5.326 7.366 1.00 . A A . 21 ARG N 1 1 4 2631 1 1 19 ARG NE N 0.645 8.837 5.367 1.00 . A A . 21 ARG NE 1 1 4 2632 1 1 19 ARG NH1 N 2.870 8.873 4.965 1.00 . A A . 21 ARG NH1 1 1 4 2633 1 1 19 ARG NH2 N 1.653 10.764 4.749 1.00 . A A . 21 ARG NH2 1 1 4 2634 1 1 19 ARG O O -3.127 4.037 4.555 1.00 . A A . 21 ARG O 1 1 4 2635 1 1 20 PRO C C -5.129 4.967 2.240 1.00 . A A . 22 PRO C 1 1 4 2636 1 1 20 PRO CA C -5.649 4.740 3.659 1.00 . A A . 22 PRO CA 1 1 4 2637 1 1 20 PRO CB C -7.042 5.347 3.842 1.00 . A A . 22 PRO CB 1 1 4 2638 1 1 20 PRO CD C -5.438 6.706 5.148 1.00 . A A . 22 PRO CD 1 1 4 2639 1 1 20 PRO CG C -6.825 6.741 4.478 1.00 . A A . 22 PRO CG 1 1 4 2640 1 1 20 PRO HA H -5.672 3.690 3.894 1.00 . A A . 22 PRO HA 1 1 4 2641 1 1 20 PRO HB2 H -7.530 5.443 2.883 1.00 . A A . 22 PRO HB2 1 1 4 2642 1 1 20 PRO HB3 H -7.633 4.734 4.503 1.00 . A A . 22 PRO HB3 1 1 4 2643 1 1 20 PRO HD2 H -4.858 7.572 4.860 1.00 . A A . 22 PRO HD2 1 1 4 2644 1 1 20 PRO HD3 H -5.535 6.653 6.220 1.00 . A A . 22 PRO HD3 1 1 4 2645 1 1 20 PRO HG2 H -6.852 7.506 3.713 1.00 . A A . 22 PRO HG2 1 1 4 2646 1 1 20 PRO HG3 H -7.584 6.932 5.221 1.00 . A A . 22 PRO HG3 1 1 4 2647 1 1 20 PRO N N -4.819 5.470 4.629 1.00 . A A . 22 PRO N 1 1 4 2648 1 1 20 PRO O O -5.169 6.065 1.721 1.00 . A A . 22 PRO O 1 1 4 2649 1 1 21 LEU C C -5.028 3.379 -0.761 1.00 . A A . 23 LEU C 1 1 4 2650 1 1 21 LEU CA C -4.107 4.098 0.224 1.00 . A A . 23 LEU CA 1 1 4 2651 1 1 21 LEU CB C -2.701 3.497 0.140 1.00 . A A . 23 LEU CB 1 1 4 2652 1 1 21 LEU CD1 C -0.322 3.870 0.811 1.00 . A A . 23 LEU CD1 1 1 4 2653 1 1 21 LEU CD2 C -1.975 5.729 1.011 1.00 . A A . 23 LEU CD2 1 1 4 2654 1 1 21 LEU CG C -1.777 4.216 1.128 1.00 . A A . 23 LEU CG 1 1 4 2655 1 1 21 LEU H H -4.609 3.058 2.048 1.00 . A A . 23 LEU H 1 1 4 2656 1 1 21 LEU HA H -4.063 5.148 -0.025 1.00 . A A . 23 LEU HA 1 1 4 2657 1 1 21 LEU HB2 H -2.745 2.446 0.387 1.00 . A A . 23 LEU HB2 1 1 4 2658 1 1 21 LEU HB3 H -2.317 3.616 -0.863 1.00 . A A . 23 LEU HB3 1 1 4 2659 1 1 21 LEU HD11 H -0.288 3.192 -0.029 1.00 . A A . 23 LEU HD11 1 1 4 2660 1 1 21 LEU HD12 H 0.133 3.403 1.671 1.00 . A A . 23 LEU HD12 1 1 4 2661 1 1 21 LEU HD13 H 0.216 4.774 0.565 1.00 . A A . 23 LEU HD13 1 1 4 2662 1 1 21 LEU HD21 H -1.117 6.239 1.425 1.00 . A A . 23 LEU HD21 1 1 4 2663 1 1 21 LEU HD22 H -2.862 6.020 1.554 1.00 . A A . 23 LEU HD22 1 1 4 2664 1 1 21 LEU HD23 H -2.086 6.000 -0.029 1.00 . A A . 23 LEU HD23 1 1 4 2665 1 1 21 LEU HG H -2.011 3.896 2.134 1.00 . A A . 23 LEU HG 1 1 4 2666 1 1 21 LEU N N -4.634 3.937 1.609 1.00 . A A . 23 LEU N 1 1 4 2667 1 1 21 LEU O O -5.294 2.202 -0.632 1.00 . A A . 23 LEU O 1 1 4 2668 1 1 22 CYS C C -5.600 2.838 -3.874 1.00 . A A . 24 CYS C 1 1 4 2669 1 1 22 CYS CA C -6.426 3.430 -2.733 1.00 . A A . 24 CYS CA 1 1 4 2670 1 1 22 CYS CB C -7.386 4.471 -3.304 1.00 . A A . 24 CYS CB 1 1 4 2671 1 1 22 CYS H H -5.294 5.027 -1.835 1.00 . A A . 24 CYS H 1 1 4 2672 1 1 22 CYS HA H -6.990 2.649 -2.245 1.00 . A A . 24 CYS HA 1 1 4 2673 1 1 22 CYS HB2 H -7.909 4.960 -2.499 1.00 . A A . 24 CYS HB2 1 1 4 2674 1 1 22 CYS HB3 H -6.825 5.203 -3.869 1.00 . A A . 24 CYS HB3 1 1 4 2675 1 1 22 CYS N N -5.519 4.078 -1.746 1.00 . A A . 24 CYS N 1 1 4 2676 1 1 22 CYS O O -5.322 3.503 -4.852 1.00 . A A . 24 CYS O 1 1 4 2677 1 1 22 CYS SG S -8.579 3.656 -4.395 1.00 . A A . 24 CYS SG 1 1 4 2678 1 1 23 GLY C C -5.058 1.251 -6.198 1.00 . A A . 25 GLY C 1 1 4 2679 1 1 23 GLY CA C -4.404 0.967 -4.845 1.00 . A A . 25 GLY CA 1 1 4 2680 1 1 23 GLY H H -5.446 1.077 -2.964 1.00 . A A . 25 GLY H 1 1 4 2681 1 1 23 GLY HA2 H -3.403 1.378 -4.834 1.00 . A A . 25 GLY HA2 1 1 4 2682 1 1 23 GLY HA3 H -4.358 -0.099 -4.687 1.00 . A A . 25 GLY HA3 1 1 4 2683 1 1 23 GLY N N -5.209 1.597 -3.761 1.00 . A A . 25 GLY N 1 1 4 2684 1 1 23 GLY O O -6.258 1.429 -6.293 1.00 . A A . 25 GLY O 1 1 4 2685 1 1 24 SER C C -5.962 0.558 -8.919 1.00 . A A . 26 SER C 1 1 4 2686 1 1 24 SER CA C -4.848 1.559 -8.601 1.00 . A A . 26 SER CA 1 1 4 2687 1 1 24 SER CB C -3.744 1.441 -9.649 1.00 . A A . 26 SER CB 1 1 4 2688 1 1 24 SER H H -3.314 1.135 -7.148 1.00 . A A . 26 SER H 1 1 4 2689 1 1 24 SER HA H -5.252 2.558 -8.623 1.00 . A A . 26 SER HA 1 1 4 2690 1 1 24 SER HB2 H -2.832 1.862 -9.261 1.00 . A A . 26 SER HB2 1 1 4 2691 1 1 24 SER HB3 H -3.585 0.396 -9.884 1.00 . A A . 26 SER HB3 1 1 4 2692 1 1 24 SER HG H -3.717 1.725 -11.573 1.00 . A A . 26 SER HG 1 1 4 2693 1 1 24 SER N N -4.278 1.287 -7.249 1.00 . A A . 26 SER N 1 1 4 2694 1 1 24 SER O O -6.735 0.751 -9.837 1.00 . A A . 26 SER O 1 1 4 2695 1 1 24 SER OG O -4.129 2.151 -10.818 1.00 . A A . 26 SER OG 1 1 4 2696 1 1 25 ASP C C -8.398 -1.114 -7.701 1.00 . A A . 27 ASP C 1 1 4 2697 1 1 25 ASP CA C -7.120 -1.513 -8.444 1.00 . A A . 27 ASP CA 1 1 4 2698 1 1 25 ASP CB C -6.657 -2.889 -7.962 1.00 . A A . 27 ASP CB 1 1 4 2699 1 1 25 ASP CG C -6.546 -2.885 -6.436 1.00 . A A . 27 ASP CG 1 1 4 2700 1 1 25 ASP H H -5.423 -0.652 -7.441 1.00 . A A . 27 ASP H 1 1 4 2701 1 1 25 ASP HA H -7.319 -1.551 -9.505 1.00 . A A . 27 ASP HA 1 1 4 2702 1 1 25 ASP HB2 H -7.373 -3.637 -8.269 1.00 . A A . 27 ASP HB2 1 1 4 2703 1 1 25 ASP HB3 H -5.694 -3.113 -8.391 1.00 . A A . 27 ASP HB3 1 1 4 2704 1 1 25 ASP N N -6.053 -0.509 -8.175 1.00 . A A . 27 ASP N 1 1 4 2705 1 1 25 ASP O O -9.259 -1.934 -7.444 1.00 . A A . 27 ASP O 1 1 4 2706 1 1 25 ASP OD1 O -6.399 -1.812 -5.874 1.00 . A A . 27 ASP OD1 1 1 4 2707 1 1 25 ASP OD2 O -6.609 -3.957 -5.855 1.00 . A A . 27 ASP OD2 1 1 4 2708 1 1 26 ASN C C -9.840 -0.160 -5.290 1.00 . A A . 28 ASN C 1 1 4 2709 1 1 26 ASN CA C -9.748 0.585 -6.622 1.00 . A A . 28 ASN CA 1 1 4 2710 1 1 26 ASN CB C -10.986 0.283 -7.470 1.00 . A A . 28 ASN CB 1 1 4 2711 1 1 26 ASN CG C -11.781 1.572 -7.697 1.00 . A A . 28 ASN CG 1 1 4 2712 1 1 26 ASN H H -7.826 0.781 -7.564 1.00 . A A . 28 ASN H 1 1 4 2713 1 1 26 ASN HA H -9.687 1.648 -6.439 1.00 . A A . 28 ASN HA 1 1 4 2714 1 1 26 ASN HB2 H -10.679 -0.124 -8.422 1.00 . A A . 28 ASN HB2 1 1 4 2715 1 1 26 ASN HB3 H -11.607 -0.434 -6.956 1.00 . A A . 28 ASN HB3 1 1 4 2716 1 1 26 ASN HD21 H -13.500 0.625 -8.007 1.00 . A A . 28 ASN HD21 1 1 4 2717 1 1 26 ASN HD22 H -13.574 2.319 -8.107 1.00 . A A . 28 ASN HD22 1 1 4 2718 1 1 26 ASN N N -8.529 0.138 -7.350 1.00 . A A . 28 ASN N 1 1 4 2719 1 1 26 ASN ND2 N -13.058 1.499 -7.959 1.00 . A A . 28 ASN ND2 1 1 4 2720 1 1 26 ASN O O -10.914 -0.491 -4.825 1.00 . A A . 28 ASN O 1 1 4 2721 1 1 26 ASN OD1 O -11.233 2.655 -7.638 1.00 . A A . 28 ASN OD1 1 1 4 2722 1 1 27 LYS C C -8.286 -0.209 -2.257 1.00 . A A . 29 LYS C 1 1 4 2723 1 1 27 LYS CA C -8.742 -1.153 -3.372 1.00 . A A . 29 LYS CA 1 1 4 2724 1 1 27 LYS CB C -7.795 -2.352 -3.449 1.00 . A A . 29 LYS CB 1 1 4 2725 1 1 27 LYS CD C -8.678 -4.647 -3.007 1.00 . A A . 29 LYS CD 1 1 4 2726 1 1 27 LYS CE C -8.032 -5.859 -2.329 1.00 . A A . 29 LYS CE 1 1 4 2727 1 1 27 LYS CG C -8.159 -3.360 -2.360 1.00 . A A . 29 LYS CG 1 1 4 2728 1 1 27 LYS H H -7.866 -0.152 -5.066 1.00 . A A . 29 LYS H 1 1 4 2729 1 1 27 LYS HA H -9.745 -1.497 -3.165 1.00 . A A . 29 LYS HA 1 1 4 2730 1 1 27 LYS HB2 H -7.883 -2.818 -4.419 1.00 . A A . 29 LYS HB2 1 1 4 2731 1 1 27 LYS HB3 H -6.778 -2.017 -3.302 1.00 . A A . 29 LYS HB3 1 1 4 2732 1 1 27 LYS HD2 H -9.751 -4.700 -2.892 1.00 . A A . 29 LYS HD2 1 1 4 2733 1 1 27 LYS HD3 H -8.427 -4.649 -4.057 1.00 . A A . 29 LYS HD3 1 1 4 2734 1 1 27 LYS HE2 H -8.151 -5.780 -1.259 1.00 . A A . 29 LYS HE2 1 1 4 2735 1 1 27 LYS HE3 H -8.509 -6.763 -2.678 1.00 . A A . 29 LYS HE3 1 1 4 2736 1 1 27 LYS HG2 H -7.283 -3.580 -1.769 1.00 . A A . 29 LYS HG2 1 1 4 2737 1 1 27 LYS HG3 H -8.927 -2.943 -1.726 1.00 . A A . 29 LYS HG3 1 1 4 2738 1 1 27 LYS HZ1 H -6.244 -6.885 -2.623 1.00 . A A . 29 LYS HZ1 1 1 4 2739 1 1 27 LYS HZ2 H -6.050 -5.322 -1.985 1.00 . A A . 29 LYS HZ2 1 1 4 2740 1 1 27 LYS HZ3 H -6.435 -5.530 -3.626 1.00 . A A . 29 LYS HZ3 1 1 4 2741 1 1 27 LYS N N -8.722 -0.428 -4.673 1.00 . A A . 29 LYS N 1 1 4 2742 1 1 27 LYS NZ N -6.581 -5.903 -2.667 1.00 . A A . 29 LYS NZ 1 1 4 2743 1 1 27 LYS O O -7.409 0.607 -2.448 1.00 . A A . 29 LYS O 1 1 4 2744 1 1 28 THR C C -7.417 -0.121 0.888 1.00 . A A . 30 THR C 1 1 4 2745 1 1 28 THR CA C -8.461 0.589 0.020 1.00 . A A . 30 THR CA 1 1 4 2746 1 1 28 THR CB C -9.684 0.949 0.866 1.00 . A A . 30 THR CB 1 1 4 2747 1 1 28 THR CG2 C -9.237 1.730 2.103 1.00 . A A . 30 THR CG2 1 1 4 2748 1 1 28 THR H H -9.579 -0.975 -0.958 1.00 . A A . 30 THR H 1 1 4 2749 1 1 28 THR HA H -8.030 1.491 -0.389 1.00 . A A . 30 THR HA 1 1 4 2750 1 1 28 THR HB H -10.188 0.048 1.178 1.00 . A A . 30 THR HB 1 1 4 2751 1 1 28 THR HG1 H -11.463 1.435 0.244 1.00 . A A . 30 THR HG1 1 1 4 2752 1 1 28 THR HG21 H -8.445 1.194 2.601 1.00 . A A . 30 THR HG21 1 1 4 2753 1 1 28 THR HG22 H -10.072 1.848 2.776 1.00 . A A . 30 THR HG22 1 1 4 2754 1 1 28 THR HG23 H -8.877 2.705 1.802 1.00 . A A . 30 THR HG23 1 1 4 2755 1 1 28 THR N N -8.871 -0.310 -1.096 1.00 . A A . 30 THR N 1 1 4 2756 1 1 28 THR O O -7.528 -1.296 1.179 1.00 . A A . 30 THR O 1 1 4 2757 1 1 28 THR OG1 O -10.569 1.751 0.094 1.00 . A A . 30 THR OG1 1 1 4 2758 1 1 29 TYR C C -5.304 0.630 3.494 1.00 . A A . 31 TYR C 1 1 4 2759 1 1 29 TYR CA C -5.329 -0.028 2.117 1.00 . A A . 31 TYR CA 1 1 4 2760 1 1 29 TYR CB C -3.993 0.209 1.430 1.00 . A A . 31 TYR CB 1 1 4 2761 1 1 29 TYR CD1 C -4.897 -1.428 -0.265 1.00 . A A . 31 TYR CD1 1 1 4 2762 1 1 29 TYR CD2 C -3.175 0.135 -0.945 1.00 . A A . 31 TYR CD2 1 1 4 2763 1 1 29 TYR CE1 C -4.918 -1.966 -1.558 1.00 . A A . 31 TYR CE1 1 1 4 2764 1 1 29 TYR CE2 C -3.196 -0.401 -2.239 1.00 . A A . 31 TYR CE2 1 1 4 2765 1 1 29 TYR CG C -4.023 -0.377 0.040 1.00 . A A . 31 TYR CG 1 1 4 2766 1 1 29 TYR CZ C -4.068 -1.453 -2.544 1.00 . A A . 31 TYR CZ 1 1 4 2767 1 1 29 TYR H H -6.318 1.522 1.032 1.00 . A A . 31 TYR H 1 1 4 2768 1 1 29 TYR HA H -5.500 -1.086 2.223 1.00 . A A . 31 TYR HA 1 1 4 2769 1 1 29 TYR HB2 H -3.806 1.269 1.368 1.00 . A A . 31 TYR HB2 1 1 4 2770 1 1 29 TYR HB3 H -3.217 -0.258 1.999 1.00 . A A . 31 TYR HB3 1 1 4 2771 1 1 29 TYR HD1 H -5.553 -1.824 0.495 1.00 . A A . 31 TYR HD1 1 1 4 2772 1 1 29 TYR HD2 H -2.504 0.945 -0.707 1.00 . A A . 31 TYR HD2 1 1 4 2773 1 1 29 TYR HE1 H -5.592 -2.775 -1.795 1.00 . A A . 31 TYR HE1 1 1 4 2774 1 1 29 TYR HE2 H -2.540 -0.005 -2.999 1.00 . A A . 31 TYR HE2 1 1 4 2775 1 1 29 TYR HH H -4.822 -2.604 -3.868 1.00 . A A . 31 TYR HH 1 1 4 2776 1 1 29 TYR N N -6.395 0.585 1.288 1.00 . A A . 31 TYR N 1 1 4 2777 1 1 29 TYR O O -5.933 1.642 3.718 1.00 . A A . 31 TYR O 1 1 4 2778 1 1 29 TYR OH O -4.090 -1.984 -3.817 1.00 . A A . 31 TYR OH 1 1 4 2779 1 1 30 GLY C C -3.235 1.531 5.863 1.00 . A A . 32 GLY C 1 1 4 2780 1 1 30 GLY CA C -4.488 0.663 5.772 1.00 . A A . 32 GLY CA 1 1 4 2781 1 1 30 GLY H H -4.060 -0.744 4.201 1.00 . A A . 32 GLY H 1 1 4 2782 1 1 30 GLY HA2 H -5.364 1.270 5.952 1.00 . A A . 32 GLY HA2 1 1 4 2783 1 1 30 GLY HA3 H -4.434 -0.122 6.510 1.00 . A A . 32 GLY HA3 1 1 4 2784 1 1 30 GLY N N -4.568 0.068 4.411 1.00 . A A . 32 GLY N 1 1 4 2785 1 1 30 GLY O O -3.119 2.383 6.722 1.00 . A A . 32 GLY O 1 1 4 2786 1 1 31 ASN C C -0.056 1.592 3.978 1.00 . A A . 33 ASN C 1 1 4 2787 1 1 31 ASN CA C -1.047 2.136 5.007 1.00 . A A . 33 ASN CA 1 1 4 2788 1 1 31 ASN CB C -0.420 2.079 6.405 1.00 . A A . 33 ASN CB 1 1 4 2789 1 1 31 ASN CG C -0.187 0.622 6.808 1.00 . A A . 33 ASN CG 1 1 4 2790 1 1 31 ASN H H -2.416 0.633 4.291 1.00 . A A . 33 ASN H 1 1 4 2791 1 1 31 ASN HA H -1.281 3.161 4.766 1.00 . A A . 33 ASN HA 1 1 4 2792 1 1 31 ASN HB2 H 0.521 2.606 6.397 1.00 . A A . 33 ASN HB2 1 1 4 2793 1 1 31 ASN HB3 H -1.084 2.545 7.118 1.00 . A A . 33 ASN HB3 1 1 4 2794 1 1 31 ASN HD21 H 0.315 1.072 8.675 1.00 . A A . 33 ASN HD21 1 1 4 2795 1 1 31 ASN HD22 H 0.338 -0.582 8.297 1.00 . A A . 33 ASN HD22 1 1 4 2796 1 1 31 ASN N N -2.296 1.322 4.980 1.00 . A A . 33 ASN N 1 1 4 2797 1 1 31 ASN ND2 N 0.186 0.348 8.027 1.00 . A A . 33 ASN ND2 1 1 4 2798 1 1 31 ASN O O -0.246 0.536 3.409 1.00 . A A . 33 ASN O 1 1 4 2799 1 1 31 ASN OD1 O -0.347 -0.275 6.007 1.00 . A A . 33 ASN OD1 1 1 4 2800 1 1 32 LYS C C 2.481 0.448 3.070 1.00 . A A . 34 LYS C 1 1 4 2801 1 1 32 LYS CA C 2.018 1.870 2.744 1.00 . A A . 34 LYS CA 1 1 4 2802 1 1 32 LYS CB C 3.219 2.816 2.789 1.00 . A A . 34 LYS CB 1 1 4 2803 1 1 32 LYS CD C 4.825 3.952 4.331 1.00 . A A . 34 LYS CD 1 1 4 2804 1 1 32 LYS CE C 4.443 4.808 5.539 1.00 . A A . 34 LYS CE 1 1 4 2805 1 1 32 LYS CG C 3.832 2.795 4.191 1.00 . A A . 34 LYS CG 1 1 4 2806 1 1 32 LYS H H 1.121 3.164 4.202 1.00 . A A . 34 LYS H 1 1 4 2807 1 1 32 LYS HA H 1.587 1.887 1.754 1.00 . A A . 34 LYS HA 1 1 4 2808 1 1 32 LYS HB2 H 3.959 2.496 2.069 1.00 . A A . 34 LYS HB2 1 1 4 2809 1 1 32 LYS HB3 H 2.897 3.819 2.554 1.00 . A A . 34 LYS HB3 1 1 4 2810 1 1 32 LYS HD2 H 5.820 3.555 4.469 1.00 . A A . 34 LYS HD2 1 1 4 2811 1 1 32 LYS HD3 H 4.799 4.558 3.439 1.00 . A A . 34 LYS HD3 1 1 4 2812 1 1 32 LYS HE2 H 5.048 5.702 5.553 1.00 . A A . 34 LYS HE2 1 1 4 2813 1 1 32 LYS HE3 H 3.400 5.083 5.470 1.00 . A A . 34 LYS HE3 1 1 4 2814 1 1 32 LYS HG2 H 3.049 2.901 4.928 1.00 . A A . 34 LYS HG2 1 1 4 2815 1 1 32 LYS HG3 H 4.349 1.859 4.345 1.00 . A A . 34 LYS HG3 1 1 4 2816 1 1 32 LYS HZ1 H 3.795 3.546 7.063 1.00 . A A . 34 LYS HZ1 1 1 4 2817 1 1 32 LYS HZ2 H 4.958 4.684 7.552 1.00 . A A . 34 LYS HZ2 1 1 4 2818 1 1 32 LYS HZ3 H 5.422 3.333 6.633 1.00 . A A . 34 LYS HZ3 1 1 4 2819 1 1 32 LYS N N 1.000 2.317 3.735 1.00 . A A . 34 LYS N 1 1 4 2820 1 1 32 LYS NZ N 4.672 4.035 6.792 1.00 . A A . 34 LYS NZ 1 1 4 2821 1 1 32 LYS O O 3.057 -0.225 2.242 1.00 . A A . 34 LYS O 1 1 4 2822 1 1 33 CYS C C 1.769 -2.395 3.880 1.00 . A A . 35 CYS C 1 1 4 2823 1 1 33 CYS CA C 2.667 -1.401 4.613 1.00 . A A . 35 CYS CA 1 1 4 2824 1 1 33 CYS CB C 2.536 -1.611 6.124 1.00 . A A . 35 CYS CB 1 1 4 2825 1 1 33 CYS H H 1.770 0.529 4.925 1.00 . A A . 35 CYS H 1 1 4 2826 1 1 33 CYS HA H 3.692 -1.549 4.313 1.00 . A A . 35 CYS HA 1 1 4 2827 1 1 33 CYS HB2 H 3.335 -1.089 6.629 1.00 . A A . 35 CYS HB2 1 1 4 2828 1 1 33 CYS HB3 H 1.586 -1.225 6.461 1.00 . A A . 35 CYS HB3 1 1 4 2829 1 1 33 CYS N N 2.237 -0.021 4.263 1.00 . A A . 35 CYS N 1 1 4 2830 1 1 33 CYS O O 2.223 -3.392 3.354 1.00 . A A . 35 CYS O 1 1 4 2831 1 1 33 CYS SG S 2.636 -3.381 6.506 1.00 . A A . 35 CYS SG 1 1 4 2832 1 1 34 ASN C C -0.383 -2.783 1.661 1.00 . A A . 36 ASN C 1 1 4 2833 1 1 34 ASN CA C -0.439 -3.039 3.169 1.00 . A A . 36 ASN CA 1 1 4 2834 1 1 34 ASN CB C -1.837 -2.758 3.708 1.00 . A A . 36 ASN CB 1 1 4 2835 1 1 34 ASN CG C -2.319 -3.963 4.515 1.00 . A A . 36 ASN CG 1 1 4 2836 1 1 34 ASN H H 0.151 -1.324 4.282 1.00 . A A . 36 ASN H 1 1 4 2837 1 1 34 ASN HA H -0.168 -4.063 3.378 1.00 . A A . 36 ASN HA 1 1 4 2838 1 1 34 ASN HB2 H -1.802 -1.887 4.347 1.00 . A A . 36 ASN HB2 1 1 4 2839 1 1 34 ASN HB3 H -2.502 -2.573 2.891 1.00 . A A . 36 ASN HB3 1 1 4 2840 1 1 34 ASN HD21 H -0.921 -3.751 5.913 1.00 . A A . 36 ASN HD21 1 1 4 2841 1 1 34 ASN HD22 H -1.987 -5.053 6.145 1.00 . A A . 36 ASN HD22 1 1 4 2842 1 1 34 ASN N N 0.496 -2.129 3.851 1.00 . A A . 36 ASN N 1 1 4 2843 1 1 34 ASN ND2 N -1.691 -4.283 5.616 1.00 . A A . 36 ASN ND2 1 1 4 2844 1 1 34 ASN O O -0.864 -3.569 0.868 1.00 . A A . 36 ASN O 1 1 4 2845 1 1 34 ASN OD1 O -3.272 -4.618 4.144 1.00 . A A . 36 ASN OD1 1 1 4 2846 1 1 35 PHE C C 1.530 -2.147 -0.768 1.00 . A A . 37 PHE C 1 1 4 2847 1 1 35 PHE CA C 0.326 -1.396 -0.196 1.00 . A A . 37 PHE CA 1 1 4 2848 1 1 35 PHE CB C 0.529 0.108 -0.404 1.00 . A A . 37 PHE CB 1 1 4 2849 1 1 35 PHE CD1 C 1.799 0.028 -2.580 1.00 . A A . 37 PHE CD1 1 1 4 2850 1 1 35 PHE CD2 C -0.417 1.013 -2.567 1.00 . A A . 37 PHE CD2 1 1 4 2851 1 1 35 PHE CE1 C 1.903 0.283 -3.952 1.00 . A A . 37 PHE CE1 1 1 4 2852 1 1 35 PHE CE2 C -0.311 1.268 -3.940 1.00 . A A . 37 PHE CE2 1 1 4 2853 1 1 35 PHE CG C 0.639 0.393 -1.885 1.00 . A A . 37 PHE CG 1 1 4 2854 1 1 35 PHE CZ C 0.848 0.902 -4.632 1.00 . A A . 37 PHE CZ 1 1 4 2855 1 1 35 PHE H H 0.609 -1.081 1.916 1.00 . A A . 37 PHE H 1 1 4 2856 1 1 35 PHE HA H -0.574 -1.716 -0.701 1.00 . A A . 37 PHE HA 1 1 4 2857 1 1 35 PHE HB2 H -0.308 0.651 0.015 1.00 . A A . 37 PHE HB2 1 1 4 2858 1 1 35 PHE HB3 H 1.439 0.417 0.089 1.00 . A A . 37 PHE HB3 1 1 4 2859 1 1 35 PHE HD1 H 2.613 -0.450 -2.057 1.00 . A A . 37 PHE HD1 1 1 4 2860 1 1 35 PHE HD2 H -1.310 1.297 -2.035 1.00 . A A . 37 PHE HD2 1 1 4 2861 1 1 35 PHE HE1 H 2.798 0.001 -4.488 1.00 . A A . 37 PHE HE1 1 1 4 2862 1 1 35 PHE HE2 H -1.127 1.746 -4.466 1.00 . A A . 37 PHE HE2 1 1 4 2863 1 1 35 PHE HZ H 0.928 1.098 -5.691 1.00 . A A . 37 PHE HZ 1 1 4 2864 1 1 35 PHE N N 0.218 -1.696 1.259 1.00 . A A . 37 PHE N 1 1 4 2865 1 1 35 PHE O O 1.455 -2.755 -1.818 1.00 . A A . 37 PHE O 1 1 4 2866 1 1 36 CYS C C 3.659 -4.320 -0.399 1.00 . A A . 38 CYS C 1 1 4 2867 1 1 36 CYS CA C 3.850 -2.814 -0.570 1.00 . A A . 38 CYS CA 1 1 4 2868 1 1 36 CYS CB C 5.068 -2.360 0.238 1.00 . A A . 38 CYS CB 1 1 4 2869 1 1 36 CYS H H 2.669 -1.612 0.762 1.00 . A A . 38 CYS H 1 1 4 2870 1 1 36 CYS HA H 4.005 -2.586 -1.615 1.00 . A A . 38 CYS HA 1 1 4 2871 1 1 36 CYS HB2 H 4.889 -2.539 1.289 1.00 . A A . 38 CYS HB2 1 1 4 2872 1 1 36 CYS HB3 H 5.939 -2.914 -0.078 1.00 . A A . 38 CYS HB3 1 1 4 2873 1 1 36 CYS N N 2.637 -2.107 -0.080 1.00 . A A . 38 CYS N 1 1 4 2874 1 1 36 CYS O O 4.125 -5.111 -1.194 1.00 . A A . 38 CYS O 1 1 4 2875 1 1 36 CYS SG S 5.346 -0.592 -0.033 1.00 . A A . 38 CYS SG 1 1 4 2876 1 1 37 ASN C C 1.720 -6.654 -0.187 1.00 . A A . 39 ASN C 1 1 4 2877 1 1 37 ASN CA C 2.732 -6.176 0.843 1.00 . A A . 39 ASN CA 1 1 4 2878 1 1 37 ASN CB C 2.191 -6.417 2.255 1.00 . A A . 39 ASN CB 1 1 4 2879 1 1 37 ASN CG C 3.339 -6.811 3.185 1.00 . A A . 39 ASN CG 1 1 4 2880 1 1 37 ASN H H 2.589 -4.067 1.254 1.00 . A A . 39 ASN H 1 1 4 2881 1 1 37 ASN HA H 3.658 -6.712 0.707 1.00 . A A . 39 ASN HA 1 1 4 2882 1 1 37 ASN HB2 H 1.724 -5.512 2.619 1.00 . A A . 39 ASN HB2 1 1 4 2883 1 1 37 ASN HB3 H 1.462 -7.213 2.230 1.00 . A A . 39 ASN HB3 1 1 4 2884 1 1 37 ASN HD21 H 2.450 -6.104 4.814 1.00 . A A . 39 ASN HD21 1 1 4 2885 1 1 37 ASN HD22 H 3.980 -6.795 5.064 1.00 . A A . 39 ASN HD22 1 1 4 2886 1 1 37 ASN N N 2.964 -4.722 0.630 1.00 . A A . 39 ASN N 1 1 4 2887 1 1 37 ASN ND2 N 3.249 -6.548 4.461 1.00 . A A . 39 ASN ND2 1 1 4 2888 1 1 37 ASN O O 1.898 -7.674 -0.822 1.00 . A A . 39 ASN O 1 1 4 2889 1 1 37 ASN OD1 O 4.329 -7.363 2.748 1.00 . A A . 39 ASN OD1 1 1 4 2890 1 1 38 ALA C C 0.397 -6.374 -2.742 1.00 . A A . 40 ALA C 1 1 4 2891 1 1 38 ALA CA C -0.329 -6.307 -1.403 1.00 . A A . 40 ALA CA 1 1 4 2892 1 1 38 ALA CB C -1.449 -5.266 -1.473 1.00 . A A . 40 ALA CB 1 1 4 2893 1 1 38 ALA H H 0.562 -5.075 0.122 1.00 . A A . 40 ALA H 1 1 4 2894 1 1 38 ALA HA H -0.738 -7.276 -1.158 1.00 . A A . 40 ALA HA 1 1 4 2895 1 1 38 ALA HB1 H -2.293 -5.606 -0.891 1.00 . A A . 40 ALA HB1 1 1 4 2896 1 1 38 ALA HB2 H -1.751 -5.133 -2.501 1.00 . A A . 40 ALA HB2 1 1 4 2897 1 1 38 ALA HB3 H -1.094 -4.326 -1.079 1.00 . A A . 40 ALA HB3 1 1 4 2898 1 1 38 ALA N N 0.672 -5.907 -0.383 1.00 . A A . 40 ALA N 1 1 4 2899 1 1 38 ALA O O 0.006 -7.079 -3.648 1.00 . A A . 40 ALA O 1 1 4 2900 1 1 39 VAL C C 3.129 -6.903 -4.155 1.00 . A A . 41 VAL C 1 1 4 2901 1 1 39 VAL CA C 2.260 -5.644 -4.113 1.00 . A A . 41 VAL CA 1 1 4 2902 1 1 39 VAL CB C 3.153 -4.401 -4.160 1.00 . A A . 41 VAL CB 1 1 4 2903 1 1 39 VAL CG1 C 4.153 -4.529 -5.309 1.00 . A A . 41 VAL CG1 1 1 4 2904 1 1 39 VAL CG2 C 2.287 -3.159 -4.376 1.00 . A A . 41 VAL CG2 1 1 4 2905 1 1 39 VAL H H 1.765 -5.086 -2.096 1.00 . A A . 41 VAL H 1 1 4 2906 1 1 39 VAL HA H 1.591 -5.641 -4.958 1.00 . A A . 41 VAL HA 1 1 4 2907 1 1 39 VAL HB H 3.690 -4.310 -3.226 1.00 . A A . 41 VAL HB 1 1 4 2908 1 1 39 VAL HG11 H 3.855 -5.338 -5.958 1.00 . A A . 41 VAL HG11 1 1 4 2909 1 1 39 VAL HG12 H 5.136 -4.731 -4.911 1.00 . A A . 41 VAL HG12 1 1 4 2910 1 1 39 VAL HG13 H 4.175 -3.607 -5.871 1.00 . A A . 41 VAL HG13 1 1 4 2911 1 1 39 VAL HG21 H 2.374 -2.834 -5.403 1.00 . A A . 41 VAL HG21 1 1 4 2912 1 1 39 VAL HG22 H 2.621 -2.369 -3.719 1.00 . A A . 41 VAL HG22 1 1 4 2913 1 1 39 VAL HG23 H 1.256 -3.395 -4.160 1.00 . A A . 41 VAL HG23 1 1 4 2914 1 1 39 VAL N N 1.471 -5.639 -2.854 1.00 . A A . 41 VAL N 1 1 4 2915 1 1 39 VAL O O 3.379 -7.462 -5.205 1.00 . A A . 41 VAL O 1 1 4 2916 1 1 40 VAL C C 3.539 -9.825 -2.958 1.00 . A A . 42 VAL C 1 1 4 2917 1 1 40 VAL CA C 4.438 -8.585 -3.001 1.00 . A A . 42 VAL CA 1 1 4 2918 1 1 40 VAL CB C 5.342 -8.566 -1.769 1.00 . A A . 42 VAL CB 1 1 4 2919 1 1 40 VAL CG1 C 6.146 -9.868 -1.704 1.00 . A A . 42 VAL CG1 1 1 4 2920 1 1 40 VAL CG2 C 6.304 -7.381 -1.864 1.00 . A A . 42 VAL CG2 1 1 4 2921 1 1 40 VAL H H 3.375 -6.896 -2.177 1.00 . A A . 42 VAL H 1 1 4 2922 1 1 40 VAL HA H 5.046 -8.614 -3.893 1.00 . A A . 42 VAL HA 1 1 4 2923 1 1 40 VAL HB H 4.738 -8.474 -0.879 1.00 . A A . 42 VAL HB 1 1 4 2924 1 1 40 VAL HG11 H 6.905 -9.785 -0.939 1.00 . A A . 42 VAL HG11 1 1 4 2925 1 1 40 VAL HG12 H 6.617 -10.049 -2.659 1.00 . A A . 42 VAL HG12 1 1 4 2926 1 1 40 VAL HG13 H 5.485 -10.688 -1.467 1.00 . A A . 42 VAL HG13 1 1 4 2927 1 1 40 VAL HG21 H 7.179 -7.577 -1.263 1.00 . A A . 42 VAL HG21 1 1 4 2928 1 1 40 VAL HG22 H 5.812 -6.489 -1.501 1.00 . A A . 42 VAL HG22 1 1 4 2929 1 1 40 VAL HG23 H 6.598 -7.235 -2.892 1.00 . A A . 42 VAL HG23 1 1 4 2930 1 1 40 VAL N N 3.590 -7.359 -3.018 1.00 . A A . 42 VAL N 1 1 4 2931 1 1 40 VAL O O 3.995 -10.940 -3.119 1.00 . A A . 42 VAL O 1 1 4 2932 1 1 41 GLU C C 0.693 -10.984 -4.074 1.00 . A A . 43 GLU C 1 1 4 2933 1 1 41 GLU CA C 1.335 -10.799 -2.697 1.00 . A A . 43 GLU CA 1 1 4 2934 1 1 41 GLU CB C 0.243 -10.540 -1.655 1.00 . A A . 43 GLU CB 1 1 4 2935 1 1 41 GLU CD C 0.514 -11.918 0.414 1.00 . A A . 43 GLU CD 1 1 4 2936 1 1 41 GLU CG C 0.853 -10.583 -0.252 1.00 . A A . 43 GLU CG 1 1 4 2937 1 1 41 GLU H H 1.919 -8.729 -2.623 1.00 . A A . 43 GLU H 1 1 4 2938 1 1 41 GLU HA H 1.884 -11.691 -2.434 1.00 . A A . 43 GLU HA 1 1 4 2939 1 1 41 GLU HB2 H -0.197 -9.570 -1.827 1.00 . A A . 43 GLU HB2 1 1 4 2940 1 1 41 GLU HB3 H -0.519 -11.301 -1.736 1.00 . A A . 43 GLU HB3 1 1 4 2941 1 1 41 GLU HG2 H 1.926 -10.477 -0.322 1.00 . A A . 43 GLU HG2 1 1 4 2942 1 1 41 GLU HG3 H 0.450 -9.775 0.341 1.00 . A A . 43 GLU HG3 1 1 4 2943 1 1 41 GLU N N 2.264 -9.637 -2.747 1.00 . A A . 43 GLU N 1 1 4 2944 1 1 41 GLU O O 0.327 -12.077 -4.458 1.00 . A A . 43 GLU O 1 1 4 2945 1 1 41 GLU OE1 O -0.607 -12.059 0.877 1.00 . A A . 43 GLU OE1 1 1 4 2946 1 1 41 GLU OE2 O 1.379 -12.776 0.452 1.00 . A A . 43 GLU OE2 1 1 4 2947 1 1 42 SER C C 1.045 -10.251 -7.215 1.00 . A A . 44 SER C 1 1 4 2948 1 1 42 SER CA C -0.057 -10.037 -6.174 1.00 . A A . 44 SER CA 1 1 4 2949 1 1 42 SER CB C -0.822 -8.754 -6.495 1.00 . A A . 44 SER CB 1 1 4 2950 1 1 42 SER H H 0.863 -9.051 -4.495 1.00 . A A . 44 SER H 1 1 4 2951 1 1 42 SER HA H -0.737 -10.876 -6.191 1.00 . A A . 44 SER HA 1 1 4 2952 1 1 42 SER HB2 H -1.178 -8.308 -5.583 1.00 . A A . 44 SER HB2 1 1 4 2953 1 1 42 SER HB3 H -0.163 -8.060 -6.998 1.00 . A A . 44 SER HB3 1 1 4 2954 1 1 42 SER HG H -2.368 -8.241 -7.558 1.00 . A A . 44 SER HG 1 1 4 2955 1 1 42 SER N N 0.557 -9.923 -4.822 1.00 . A A . 44 SER N 1 1 4 2956 1 1 42 SER O O 0.823 -10.124 -8.403 1.00 . A A . 44 SER O 1 1 4 2957 1 1 42 SER OG O -1.931 -9.064 -7.327 1.00 . A A . 44 SER OG 1 1 4 2958 1 1 43 ASN C C 3.856 -9.462 -8.263 1.00 . A A . 45 ASN C 1 1 4 2959 1 1 43 ASN CA C 3.346 -10.806 -7.736 1.00 . A A . 45 ASN CA 1 1 4 2960 1 1 43 ASN CB C 2.845 -11.654 -8.906 1.00 . A A . 45 ASN CB 1 1 4 2961 1 1 43 ASN CG C 4.014 -12.436 -9.508 1.00 . A A . 45 ASN CG 1 1 4 2962 1 1 43 ASN H H 2.384 -10.677 -5.813 1.00 . A A . 45 ASN H 1 1 4 2963 1 1 43 ASN HA H 4.150 -11.323 -7.236 1.00 . A A . 45 ASN HA 1 1 4 2964 1 1 43 ASN HB2 H 2.092 -12.345 -8.554 1.00 . A A . 45 ASN HB2 1 1 4 2965 1 1 43 ASN HB3 H 2.418 -11.010 -9.661 1.00 . A A . 45 ASN HB3 1 1 4 2966 1 1 43 ASN HD21 H 4.699 -13.037 -7.745 1.00 . A A . 45 ASN HD21 1 1 4 2967 1 1 43 ASN HD22 H 5.588 -13.570 -9.090 1.00 . A A . 45 ASN HD22 1 1 4 2968 1 1 43 ASN N N 2.229 -10.579 -6.776 1.00 . A A . 45 ASN N 1 1 4 2969 1 1 43 ASN ND2 N 4.835 -13.067 -8.715 1.00 . A A . 45 ASN ND2 1 1 4 2970 1 1 43 ASN O O 4.775 -9.407 -9.057 1.00 . A A . 45 ASN O 1 1 4 2971 1 1 43 ASN OD1 O 4.179 -12.473 -10.710 1.00 . A A . 45 ASN OD1 1 1 4 2972 1 1 44 GLY C C 2.661 -6.431 -9.220 1.00 . A A . 46 GLY C 1 1 4 2973 1 1 44 GLY CA C 3.730 -7.046 -8.316 1.00 . A A . 46 GLY CA 1 1 4 2974 1 1 44 GLY H H 2.531 -8.441 -7.193 1.00 . A A . 46 GLY H 1 1 4 2975 1 1 44 GLY HA2 H 3.901 -6.398 -7.469 1.00 . A A . 46 GLY HA2 1 1 4 2976 1 1 44 GLY HA3 H 4.647 -7.160 -8.873 1.00 . A A . 46 GLY HA3 1 1 4 2977 1 1 44 GLY N N 3.271 -8.378 -7.832 1.00 . A A . 46 GLY N 1 1 4 2978 1 1 44 GLY O O 2.926 -5.525 -9.985 1.00 . A A . 46 GLY O 1 1 4 2979 1 1 45 THR C C -0.497 -5.410 -9.162 1.00 . A A . 47 THR C 1 1 4 2980 1 1 45 THR CA C 0.368 -6.357 -9.996 1.00 . A A . 47 THR CA 1 1 4 2981 1 1 45 THR CB C -0.497 -7.502 -10.529 1.00 . A A . 47 THR CB 1 1 4 2982 1 1 45 THR CG2 C 0.385 -8.511 -11.262 1.00 . A A . 47 THR CG2 1 1 4 2983 1 1 45 THR H H 1.257 -7.647 -8.515 1.00 . A A . 47 THR H 1 1 4 2984 1 1 45 THR HA H 0.802 -5.817 -10.823 1.00 . A A . 47 THR HA 1 1 4 2985 1 1 45 THR HB H -1.233 -7.109 -11.213 1.00 . A A . 47 THR HB 1 1 4 2986 1 1 45 THR HG1 H -1.570 -8.940 -9.777 1.00 . A A . 47 THR HG1 1 1 4 2987 1 1 45 THR HG21 H 0.024 -8.639 -12.273 1.00 . A A . 47 THR HG21 1 1 4 2988 1 1 45 THR HG22 H 0.353 -9.459 -10.747 1.00 . A A . 47 THR HG22 1 1 4 2989 1 1 45 THR HG23 H 1.402 -8.149 -11.286 1.00 . A A . 47 THR HG23 1 1 4 2990 1 1 45 THR N N 1.452 -6.917 -9.139 1.00 . A A . 47 THR N 1 1 4 2991 1 1 45 THR O O -1.709 -5.417 -9.254 1.00 . A A . 47 THR O 1 1 4 2992 1 1 45 THR OG1 O -1.152 -8.142 -9.443 1.00 . A A . 47 THR OG1 1 1 4 2993 1 1 46 LEU C C 0.000 -2.273 -7.517 1.00 . A A . 48 LEU C 1 1 4 2994 1 1 46 LEU CA C -0.668 -3.649 -7.507 1.00 . A A . 48 LEU CA 1 1 4 2995 1 1 46 LEU CB C -0.725 -4.178 -6.072 1.00 . A A . 48 LEU CB 1 1 4 2996 1 1 46 LEU CD1 C -2.890 -4.352 -4.841 1.00 . A A . 48 LEU CD1 1 1 4 2997 1 1 46 LEU CD2 C -1.130 -2.765 -4.052 1.00 . A A . 48 LEU CD2 1 1 4 2998 1 1 46 LEU CG C -1.780 -3.400 -5.284 1.00 . A A . 48 LEU CG 1 1 4 2999 1 1 46 LEU H H 1.095 -4.607 -8.288 1.00 . A A . 48 LEU H 1 1 4 3000 1 1 46 LEU HA H -1.670 -3.562 -7.898 1.00 . A A . 48 LEU HA 1 1 4 3001 1 1 46 LEU HB2 H -0.986 -5.225 -6.087 1.00 . A A . 48 LEU HB2 1 1 4 3002 1 1 46 LEU HB3 H 0.238 -4.053 -5.602 1.00 . A A . 48 LEU HB3 1 1 4 3003 1 1 46 LEU HD11 H -2.467 -5.322 -4.621 1.00 . A A . 48 LEU HD11 1 1 4 3004 1 1 46 LEU HD12 H -3.619 -4.450 -5.632 1.00 . A A . 48 LEU HD12 1 1 4 3005 1 1 46 LEU HD13 H -3.369 -3.961 -3.956 1.00 . A A . 48 LEU HD13 1 1 4 3006 1 1 46 LEU HD21 H -0.241 -2.229 -4.350 1.00 . A A . 48 LEU HD21 1 1 4 3007 1 1 46 LEU HD22 H -0.864 -3.539 -3.346 1.00 . A A . 48 LEU HD22 1 1 4 3008 1 1 46 LEU HD23 H -1.826 -2.081 -3.589 1.00 . A A . 48 LEU HD23 1 1 4 3009 1 1 46 LEU HG H -2.199 -2.628 -5.911 1.00 . A A . 48 LEU HG 1 1 4 3010 1 1 46 LEU N N 0.117 -4.595 -8.348 1.00 . A A . 48 LEU N 1 1 4 3011 1 1 46 LEU O O 1.086 -2.092 -7.002 1.00 . A A . 48 LEU O 1 1 4 3012 1 1 47 THR C C -0.865 0.991 -7.226 1.00 . A A . 49 THR C 1 1 4 3013 1 1 47 THR CA C -0.062 0.069 -8.148 1.00 . A A . 49 THR CA 1 1 4 3014 1 1 47 THR CB C -0.110 0.585 -9.592 1.00 . A A . 49 THR CB 1 1 4 3015 1 1 47 THR CG2 C 0.838 -0.241 -10.460 1.00 . A A . 49 THR CG2 1 1 4 3016 1 1 47 THR H H -1.522 -1.472 -8.505 1.00 . A A . 49 THR H 1 1 4 3017 1 1 47 THR HA H 0.962 0.039 -7.815 1.00 . A A . 49 THR HA 1 1 4 3018 1 1 47 THR HB H 0.195 1.617 -9.620 1.00 . A A . 49 THR HB 1 1 4 3019 1 1 47 THR HG1 H -1.651 -0.470 -10.127 1.00 . A A . 49 THR HG1 1 1 4 3020 1 1 47 THR HG21 H 0.574 -1.286 -10.388 1.00 . A A . 49 THR HG21 1 1 4 3021 1 1 47 THR HG22 H 1.853 -0.101 -10.118 1.00 . A A . 49 THR HG22 1 1 4 3022 1 1 47 THR HG23 H 0.757 0.081 -11.488 1.00 . A A . 49 THR HG23 1 1 4 3023 1 1 47 THR N N -0.646 -1.300 -8.100 1.00 . A A . 49 THR N 1 1 4 3024 1 1 47 THR O O -1.515 0.542 -6.300 1.00 . A A . 49 THR O 1 1 4 3025 1 1 47 THR OG1 O -1.432 0.465 -10.092 1.00 . A A . 49 THR OG1 1 1 4 3026 1 1 48 LEU C C -2.639 3.936 -7.429 1.00 . A A . 50 LEU C 1 1 4 3027 1 1 48 LEU CA C -1.575 3.219 -6.590 1.00 . A A . 50 LEU CA 1 1 4 3028 1 1 48 LEU CB C -0.574 4.216 -5.950 1.00 . A A . 50 LEU CB 1 1 4 3029 1 1 48 LEU CD1 C -1.723 6.316 -5.197 1.00 . A A . 50 LEU CD1 1 1 4 3030 1 1 48 LEU CD2 C 0.437 6.458 -6.427 1.00 . A A . 50 LEU CD2 1 1 4 3031 1 1 48 LEU CG C -0.880 5.687 -6.304 1.00 . A A . 50 LEU CG 1 1 4 3032 1 1 48 LEU H H -0.286 2.613 -8.200 1.00 . A A . 50 LEU H 1 1 4 3033 1 1 48 LEU HA H -2.066 2.660 -5.804 1.00 . A A . 50 LEU HA 1 1 4 3034 1 1 48 LEU HB2 H -0.608 4.106 -4.877 1.00 . A A . 50 LEU HB2 1 1 4 3035 1 1 48 LEU HB3 H 0.424 3.975 -6.291 1.00 . A A . 50 LEU HB3 1 1 4 3036 1 1 48 LEU HD11 H -2.205 5.538 -4.624 1.00 . A A . 50 LEU HD11 1 1 4 3037 1 1 48 LEU HD12 H -2.472 6.957 -5.636 1.00 . A A . 50 LEU HD12 1 1 4 3038 1 1 48 LEU HD13 H -1.086 6.900 -4.549 1.00 . A A . 50 LEU HD13 1 1 4 3039 1 1 48 LEU HD21 H 0.291 7.475 -6.093 1.00 . A A . 50 LEU HD21 1 1 4 3040 1 1 48 LEU HD22 H 0.760 6.459 -7.457 1.00 . A A . 50 LEU HD22 1 1 4 3041 1 1 48 LEU HD23 H 1.190 5.984 -5.813 1.00 . A A . 50 LEU HD23 1 1 4 3042 1 1 48 LEU HG H -1.415 5.747 -7.236 1.00 . A A . 50 LEU HG 1 1 4 3043 1 1 48 LEU N N -0.822 2.272 -7.459 1.00 . A A . 50 LEU N 1 1 4 3044 1 1 48 LEU O O -2.520 4.056 -8.633 1.00 . A A . 50 LEU O 1 1 4 3045 1 1 49 SER C C -4.910 6.533 -6.927 1.00 . A A . 51 SER C 1 1 4 3046 1 1 49 SER CA C -4.733 5.149 -7.546 1.00 . A A . 51 SER CA 1 1 4 3047 1 1 49 SER CB C -6.050 4.379 -7.448 1.00 . A A . 51 SER CB 1 1 4 3048 1 1 49 SER H H -3.731 4.321 -5.828 1.00 . A A . 51 SER H 1 1 4 3049 1 1 49 SER HA H -4.445 5.248 -8.582 1.00 . A A . 51 SER HA 1 1 4 3050 1 1 49 SER HB2 H -5.873 3.410 -7.011 1.00 . A A . 51 SER HB2 1 1 4 3051 1 1 49 SER HB3 H -6.743 4.931 -6.824 1.00 . A A . 51 SER HB3 1 1 4 3052 1 1 49 SER HG H -6.753 5.086 -9.118 1.00 . A A . 51 SER HG 1 1 4 3053 1 1 49 SER N N -3.666 4.422 -6.798 1.00 . A A . 51 SER N 1 1 4 3054 1 1 49 SER O O -5.287 7.479 -7.588 1.00 . A A . 51 SER O 1 1 4 3055 1 1 49 SER OG O -6.593 4.214 -8.751 1.00 . A A . 51 SER OG 1 1 4 3056 1 1 50 HIS C C -4.698 7.748 -3.463 1.00 . A A . 52 HIS C 1 1 4 3057 1 1 50 HIS CA C -4.781 7.967 -4.981 1.00 . A A . 52 HIS CA 1 1 4 3058 1 1 50 HIS CB C -6.128 8.599 -5.406 1.00 . A A . 52 HIS CB 1 1 4 3059 1 1 50 HIS CD2 C -6.888 9.880 -3.235 1.00 . A A . 52 HIS CD2 1 1 4 3060 1 1 50 HIS CE1 C -8.685 8.744 -2.814 1.00 . A A . 52 HIS CE1 1 1 4 3061 1 1 50 HIS CG C -6.994 8.923 -4.214 1.00 . A A . 52 HIS CG 1 1 4 3062 1 1 50 HIS H H -4.330 5.871 -5.151 1.00 . A A . 52 HIS H 1 1 4 3063 1 1 50 HIS HA H -3.972 8.614 -5.288 1.00 . A A . 52 HIS HA 1 1 4 3064 1 1 50 HIS HB2 H -5.933 9.508 -5.955 1.00 . A A . 52 HIS HB2 1 1 4 3065 1 1 50 HIS HB3 H -6.654 7.906 -6.047 1.00 . A A . 52 HIS HB3 1 1 4 3066 1 1 50 HIS HD1 H -8.504 7.455 -4.438 1.00 . A A . 52 HIS HD1 1 1 4 3067 1 1 50 HIS HD2 H -6.095 10.609 -3.161 1.00 . A A . 52 HIS HD2 1 1 4 3068 1 1 50 HIS HE1 H -9.596 8.387 -2.351 1.00 . A A . 52 HIS HE1 1 1 4 3069 1 1 50 HIS N N -4.635 6.652 -5.659 1.00 . A A . 52 HIS N 1 1 4 3070 1 1 50 HIS ND1 N -8.147 8.210 -3.925 1.00 . A A . 52 HIS ND1 1 1 4 3071 1 1 50 HIS NE2 N -7.959 9.764 -2.351 1.00 . A A . 52 HIS NE2 1 1 4 3072 1 1 50 HIS O O -5.617 7.251 -2.844 1.00 . A A . 52 HIS O 1 1 4 3073 1 1 51 PHE C C -4.694 8.416 -0.687 1.00 . A A . 53 PHE C 1 1 4 3074 1 1 51 PHE CA C -3.442 7.908 -1.400 1.00 . A A . 53 PHE CA 1 1 4 3075 1 1 51 PHE CB C -2.207 8.672 -0.916 1.00 . A A . 53 PHE CB 1 1 4 3076 1 1 51 PHE CD1 C -0.975 6.896 -2.219 1.00 . A A . 53 PHE CD1 1 1 4 3077 1 1 51 PHE CD2 C 0.184 8.032 -0.417 1.00 . A A . 53 PHE CD2 1 1 4 3078 1 1 51 PHE CE1 C 0.169 6.132 -2.475 1.00 . A A . 53 PHE CE1 1 1 4 3079 1 1 51 PHE CE2 C 1.329 7.265 -0.674 1.00 . A A . 53 PHE CE2 1 1 4 3080 1 1 51 PHE CG C -0.969 7.847 -1.190 1.00 . A A . 53 PHE CG 1 1 4 3081 1 1 51 PHE CZ C 1.320 6.316 -1.703 1.00 . A A . 53 PHE CZ 1 1 4 3082 1 1 51 PHE H H -2.858 8.494 -3.381 1.00 . A A . 53 PHE H 1 1 4 3083 1 1 51 PHE HA H -3.315 6.856 -1.192 1.00 . A A . 53 PHE HA 1 1 4 3084 1 1 51 PHE HB2 H -2.138 9.614 -1.440 1.00 . A A . 53 PHE HB2 1 1 4 3085 1 1 51 PHE HB3 H -2.292 8.854 0.141 1.00 . A A . 53 PHE HB3 1 1 4 3086 1 1 51 PHE HD1 H -1.862 6.753 -2.817 1.00 . A A . 53 PHE HD1 1 1 4 3087 1 1 51 PHE HD2 H 0.189 8.764 0.376 1.00 . A A . 53 PHE HD2 1 1 4 3088 1 1 51 PHE HE1 H 0.163 5.400 -3.269 1.00 . A A . 53 PHE HE1 1 1 4 3089 1 1 51 PHE HE2 H 2.220 7.406 -0.077 1.00 . A A . 53 PHE HE2 1 1 4 3090 1 1 51 PHE HZ H 2.202 5.726 -1.901 1.00 . A A . 53 PHE HZ 1 1 4 3091 1 1 51 PHE N N -3.592 8.104 -2.865 1.00 . A A . 53 PHE N 1 1 4 3092 1 1 51 PHE O O -4.869 9.599 -0.472 1.00 . A A . 53 PHE O 1 1 4 3093 1 1 52 GLY C C -7.895 6.868 0.086 1.00 . A A . 54 GLY C 1 1 4 3094 1 1 52 GLY CA C -6.824 7.923 0.362 1.00 . A A . 54 GLY CA 1 1 4 3095 1 1 52 GLY H H -5.403 6.574 -0.522 1.00 . A A . 54 GLY H 1 1 4 3096 1 1 52 GLY HA2 H -6.645 7.993 1.427 1.00 . A A . 54 GLY HA2 1 1 4 3097 1 1 52 GLY HA3 H -7.156 8.878 -0.014 1.00 . A A . 54 GLY HA3 1 1 4 3098 1 1 52 GLY N N -5.569 7.520 -0.328 1.00 . A A . 54 GLY N 1 1 4 3099 1 1 52 GLY O O -8.083 6.445 -1.036 1.00 . A A . 54 GLY O 1 1 4 3100 1 1 53 LYS C C -10.530 5.818 -0.292 1.00 . A A . 55 LYS C 1 1 4 3101 1 1 53 LYS CA C -9.642 5.398 0.878 1.00 . A A . 55 LYS CA 1 1 4 3102 1 1 53 LYS CB C -10.493 5.256 2.140 1.00 . A A . 55 LYS CB 1 1 4 3103 1 1 53 LYS CD C -11.847 6.497 3.835 1.00 . A A . 55 LYS CD 1 1 4 3104 1 1 53 LYS CE C -12.743 7.730 3.981 1.00 . A A . 55 LYS CE 1 1 4 3105 1 1 53 LYS CG C -10.992 6.635 2.574 1.00 . A A . 55 LYS CG 1 1 4 3106 1 1 53 LYS H H -8.426 6.782 1.995 1.00 . A A . 55 LYS H 1 1 4 3107 1 1 53 LYS HA H -9.171 4.450 0.650 1.00 . A A . 55 LYS HA 1 1 4 3108 1 1 53 LYS HB2 H -11.338 4.614 1.936 1.00 . A A . 55 LYS HB2 1 1 4 3109 1 1 53 LYS HB3 H -9.897 4.825 2.931 1.00 . A A . 55 LYS HB3 1 1 4 3110 1 1 53 LYS HD2 H -12.461 5.611 3.758 1.00 . A A . 55 LYS HD2 1 1 4 3111 1 1 53 LYS HD3 H -11.203 6.418 4.699 1.00 . A A . 55 LYS HD3 1 1 4 3112 1 1 53 LYS HE2 H -12.311 8.556 3.437 1.00 . A A . 55 LYS HE2 1 1 4 3113 1 1 53 LYS HE3 H -13.724 7.511 3.586 1.00 . A A . 55 LYS HE3 1 1 4 3114 1 1 53 LYS HG2 H -10.145 7.275 2.780 1.00 . A A . 55 LYS HG2 1 1 4 3115 1 1 53 LYS HG3 H -11.588 7.068 1.784 1.00 . A A . 55 LYS HG3 1 1 4 3116 1 1 53 LYS HZ1 H -12.388 9.005 5.590 1.00 . A A . 55 LYS HZ1 1 1 4 3117 1 1 53 LYS HZ2 H -12.404 7.356 6.003 1.00 . A A . 55 LYS HZ2 1 1 4 3118 1 1 53 LYS HZ3 H -13.861 8.169 5.683 1.00 . A A . 55 LYS HZ3 1 1 4 3119 1 1 53 LYS N N -8.594 6.432 1.097 1.00 . A A . 55 LYS N 1 1 4 3120 1 1 53 LYS NZ N -12.859 8.093 5.423 1.00 . A A . 55 LYS NZ 1 1 4 3121 1 1 53 LYS O O -10.953 6.954 -0.385 1.00 . A A . 55 LYS O 1 1 4 3122 1 1 54 CYS C C -13.146 5.172 -1.951 1.00 . A A . 56 CYS C 1 1 4 3123 1 1 54 CYS CA C -11.673 5.271 -2.353 1.00 . A A . 56 CYS CA 1 1 4 3124 1 1 54 CYS CB C -11.393 4.308 -3.508 1.00 . A A . 56 CYS CB 1 1 4 3125 1 1 54 CYS H H -10.465 4.001 -1.096 1.00 . A A . 56 CYS H 1 1 4 3126 1 1 54 CYS HA H -11.452 6.282 -2.666 1.00 . A A . 56 CYS HA 1 1 4 3127 1 1 54 CYS HB2 H -11.077 3.354 -3.113 1.00 . A A . 56 CYS HB2 1 1 4 3128 1 1 54 CYS HB3 H -12.292 4.175 -4.091 1.00 . A A . 56 CYS HB3 1 1 4 3129 1 1 54 CYS N N -10.815 4.914 -1.189 1.00 . A A . 56 CYS N 1 1 4 3130 1 1 54 CYS O O -13.820 4.293 -2.462 1.00 . A A . 56 CYS O 1 1 4 3131 1 1 54 CYS OXT O -13.574 5.977 -1.142 1.00 . A A . 56 CYS OXT 1 1 4 3132 1 1 54 CYS SG S -10.087 4.989 -4.557 1.00 . A A . 56 CYS SG 1 1 5 3133 1 1 1 ALA C C 5.296 2.596 -9.410 1.00 . A A . 3 ALA C 1 1 5 3134 1 1 1 ALA CA C 6.251 1.412 -9.255 1.00 . A A . 3 ALA CA 1 1 5 3135 1 1 1 ALA CB C 7.350 1.502 -10.316 1.00 . A A . 3 ALA CB 1 1 5 3136 1 1 1 ALA H1 H 6.108 -0.568 -9.887 1.00 . A A . 3 ALA H1 1 1 5 3137 1 1 1 ALA H2 H 4.661 0.312 -10.029 1.00 . A A . 3 ALA H2 1 1 5 3138 1 1 1 ALA H3 H 5.191 -0.216 -8.503 1.00 . A A . 3 ALA H3 1 1 5 3139 1 1 1 ALA HA H 6.697 1.434 -8.272 1.00 . A A . 3 ALA HA 1 1 5 3140 1 1 1 ALA HB1 H 6.979 1.116 -11.253 1.00 . A A . 3 ALA HB1 1 1 5 3141 1 1 1 ALA HB2 H 8.204 0.921 -10.000 1.00 . A A . 3 ALA HB2 1 1 5 3142 1 1 1 ALA HB3 H 7.644 2.534 -10.444 1.00 . A A . 3 ALA HB3 1 1 5 3143 1 1 1 ALA N N 5.495 0.139 -9.432 1.00 . A A . 3 ALA N 1 1 5 3144 1 1 1 ALA O O 5.023 3.046 -10.504 1.00 . A A . 3 ALA O 1 1 5 3145 1 1 2 VAL C C 3.950 5.116 -7.156 1.00 . A A . 4 VAL C 1 1 5 3146 1 1 2 VAL CA C 3.841 4.256 -8.417 1.00 . A A . 4 VAL CA 1 1 5 3147 1 1 2 VAL CB C 2.411 3.733 -8.553 1.00 . A A . 4 VAL CB 1 1 5 3148 1 1 2 VAL CG1 C 2.097 2.796 -7.384 1.00 . A A . 4 VAL CG1 1 1 5 3149 1 1 2 VAL CG2 C 1.436 4.909 -8.538 1.00 . A A . 4 VAL CG2 1 1 5 3150 1 1 2 VAL H H 5.011 2.728 -7.448 1.00 . A A . 4 VAL H 1 1 5 3151 1 1 2 VAL HA H 4.088 4.852 -9.282 1.00 . A A . 4 VAL HA 1 1 5 3152 1 1 2 VAL HB H 2.314 3.191 -9.484 1.00 . A A . 4 VAL HB 1 1 5 3153 1 1 2 VAL HG11 H 1.945 1.794 -7.757 1.00 . A A . 4 VAL HG11 1 1 5 3154 1 1 2 VAL HG12 H 1.203 3.134 -6.882 1.00 . A A . 4 VAL HG12 1 1 5 3155 1 1 2 VAL HG13 H 2.923 2.800 -6.688 1.00 . A A . 4 VAL HG13 1 1 5 3156 1 1 2 VAL HG21 H 0.424 4.539 -8.469 1.00 . A A . 4 VAL HG21 1 1 5 3157 1 1 2 VAL HG22 H 1.547 5.482 -9.447 1.00 . A A . 4 VAL HG22 1 1 5 3158 1 1 2 VAL HG23 H 1.646 5.540 -7.687 1.00 . A A . 4 VAL HG23 1 1 5 3159 1 1 2 VAL N N 4.781 3.105 -8.323 1.00 . A A . 4 VAL N 1 1 5 3160 1 1 2 VAL O O 3.744 4.650 -6.054 1.00 . A A . 4 VAL O 1 1 5 3161 1 1 3 SER C C 5.261 6.614 -5.062 1.00 . A A . 5 SER C 1 1 5 3162 1 1 3 SER CA C 4.380 7.268 -6.130 1.00 . A A . 5 SER CA 1 1 5 3163 1 1 3 SER CB C 2.988 7.528 -5.553 1.00 . A A . 5 SER CB 1 1 5 3164 1 1 3 SER H H 4.422 6.728 -8.212 1.00 . A A . 5 SER H 1 1 5 3165 1 1 3 SER HA H 4.823 8.208 -6.432 1.00 . A A . 5 SER HA 1 1 5 3166 1 1 3 SER HB2 H 2.407 8.105 -6.253 1.00 . A A . 5 SER HB2 1 1 5 3167 1 1 3 SER HB3 H 2.492 6.582 -5.372 1.00 . A A . 5 SER HB3 1 1 5 3168 1 1 3 SER HG H 2.615 9.070 -4.428 1.00 . A A . 5 SER HG 1 1 5 3169 1 1 3 SER N N 4.265 6.372 -7.313 1.00 . A A . 5 SER N 1 1 5 3170 1 1 3 SER O O 6.466 6.772 -5.054 1.00 . A A . 5 SER O 1 1 5 3171 1 1 3 SER OG O 3.110 8.254 -4.337 1.00 . A A . 5 SER OG 1 1 5 3172 1 1 4 VAL C C 6.510 4.299 -3.694 1.00 . A A . 6 VAL C 1 1 5 3173 1 1 4 VAL CA C 5.465 5.230 -3.078 1.00 . A A . 6 VAL CA 1 1 5 3174 1 1 4 VAL CB C 4.534 4.412 -2.181 1.00 . A A . 6 VAL CB 1 1 5 3175 1 1 4 VAL CG1 C 4.069 3.161 -2.930 1.00 . A A . 6 VAL CG1 1 1 5 3176 1 1 4 VAL CG2 C 5.284 3.998 -0.913 1.00 . A A . 6 VAL CG2 1 1 5 3177 1 1 4 VAL H H 3.693 5.778 -4.175 1.00 . A A . 6 VAL H 1 1 5 3178 1 1 4 VAL HA H 5.960 5.985 -2.487 1.00 . A A . 6 VAL HA 1 1 5 3179 1 1 4 VAL HB H 3.675 5.009 -1.916 1.00 . A A . 6 VAL HB 1 1 5 3180 1 1 4 VAL HG11 H 3.440 2.568 -2.283 1.00 . A A . 6 VAL HG11 1 1 5 3181 1 1 4 VAL HG12 H 4.929 2.580 -3.229 1.00 . A A . 6 VAL HG12 1 1 5 3182 1 1 4 VAL HG13 H 3.511 3.453 -3.807 1.00 . A A . 6 VAL HG13 1 1 5 3183 1 1 4 VAL HG21 H 5.546 2.953 -0.974 1.00 . A A . 6 VAL HG21 1 1 5 3184 1 1 4 VAL HG22 H 4.651 4.162 -0.053 1.00 . A A . 6 VAL HG22 1 1 5 3185 1 1 4 VAL HG23 H 6.181 4.591 -0.817 1.00 . A A . 6 VAL HG23 1 1 5 3186 1 1 4 VAL N N 4.668 5.887 -4.154 1.00 . A A . 6 VAL N 1 1 5 3187 1 1 4 VAL O O 6.381 3.854 -4.817 1.00 . A A . 6 VAL O 1 1 5 3188 1 1 5 ASP C C 8.580 1.787 -2.663 1.00 . A A . 7 ASP C 1 1 5 3189 1 1 5 ASP CA C 8.592 3.079 -3.482 1.00 . A A . 7 ASP CA 1 1 5 3190 1 1 5 ASP CB C 9.961 3.750 -3.362 1.00 . A A . 7 ASP CB 1 1 5 3191 1 1 5 ASP CG C 10.835 3.342 -4.551 1.00 . A A . 7 ASP CG 1 1 5 3192 1 1 5 ASP H H 7.619 4.355 -2.049 1.00 . A A . 7 ASP H 1 1 5 3193 1 1 5 ASP HA H 8.388 2.852 -4.518 1.00 . A A . 7 ASP HA 1 1 5 3194 1 1 5 ASP HB2 H 9.837 4.823 -3.357 1.00 . A A . 7 ASP HB2 1 1 5 3195 1 1 5 ASP HB3 H 10.437 3.436 -2.445 1.00 . A A . 7 ASP HB3 1 1 5 3196 1 1 5 ASP N N 7.542 3.992 -2.956 1.00 . A A . 7 ASP N 1 1 5 3197 1 1 5 ASP O O 9.334 1.629 -1.724 1.00 . A A . 7 ASP O 1 1 5 3198 1 1 5 ASP OD1 O 10.700 2.215 -5.000 1.00 . A A . 7 ASP OD1 1 1 5 3199 1 1 5 ASP OD2 O 11.625 4.162 -4.991 1.00 . A A . 7 ASP OD2 1 1 5 3200 1 1 6 CYS C C 8.712 -1.387 -2.725 1.00 . A A . 8 CYS C 1 1 5 3201 1 1 6 CYS CA C 7.632 -0.413 -2.242 1.00 . A A . 8 CYS CA 1 1 5 3202 1 1 6 CYS CB C 6.256 -1.045 -2.466 1.00 . A A . 8 CYS CB 1 1 5 3203 1 1 6 CYS H H 7.103 1.030 -3.755 1.00 . A A . 8 CYS H 1 1 5 3204 1 1 6 CYS HA H 7.769 -0.217 -1.190 1.00 . A A . 8 CYS HA 1 1 5 3205 1 1 6 CYS HB2 H 6.095 -1.189 -3.524 1.00 . A A . 8 CYS HB2 1 1 5 3206 1 1 6 CYS HB3 H 6.211 -1.998 -1.961 1.00 . A A . 8 CYS HB3 1 1 5 3207 1 1 6 CYS N N 7.713 0.869 -3.004 1.00 . A A . 8 CYS N 1 1 5 3208 1 1 6 CYS O O 8.452 -2.556 -2.935 1.00 . A A . 8 CYS O 1 1 5 3209 1 1 6 CYS SG S 4.973 0.049 -1.806 1.00 . A A . 8 CYS SG 1 1 5 3210 1 1 7 SER C C 11.680 -2.487 -2.150 1.00 . A A . 9 SER C 1 1 5 3211 1 1 7 SER CA C 11.003 -1.841 -3.360 1.00 . A A . 9 SER CA 1 1 5 3212 1 1 7 SER CB C 12.034 -1.044 -4.158 1.00 . A A . 9 SER CB 1 1 5 3213 1 1 7 SER H H 10.118 0.013 -2.723 1.00 . A A . 9 SER H 1 1 5 3214 1 1 7 SER HA H 10.579 -2.611 -3.990 1.00 . A A . 9 SER HA 1 1 5 3215 1 1 7 SER HB2 H 11.535 -0.283 -4.734 1.00 . A A . 9 SER HB2 1 1 5 3216 1 1 7 SER HB3 H 12.731 -0.576 -3.476 1.00 . A A . 9 SER HB3 1 1 5 3217 1 1 7 SER HG H 12.760 -2.786 -4.630 1.00 . A A . 9 SER HG 1 1 5 3218 1 1 7 SER N N 9.920 -0.928 -2.898 1.00 . A A . 9 SER N 1 1 5 3219 1 1 7 SER O O 12.594 -3.276 -2.288 1.00 . A A . 9 SER O 1 1 5 3220 1 1 7 SER OG O 12.727 -1.918 -5.038 1.00 . A A . 9 SER OG 1 1 5 3221 1 1 8 GLU C C 10.851 -3.688 0.929 1.00 . A A . 10 GLU C 1 1 5 3222 1 1 8 GLU CA C 11.866 -2.768 0.249 1.00 . A A . 10 GLU CA 1 1 5 3223 1 1 8 GLU CB C 12.278 -1.657 1.219 1.00 . A A . 10 GLU CB 1 1 5 3224 1 1 8 GLU CD C 11.434 0.295 2.531 1.00 . A A . 10 GLU CD 1 1 5 3225 1 1 8 GLU CG C 11.026 -0.964 1.764 1.00 . A A . 10 GLU CG 1 1 5 3226 1 1 8 GLU H H 10.500 -1.528 -0.865 1.00 . A A . 10 GLU H 1 1 5 3227 1 1 8 GLU HA H 12.736 -3.338 -0.038 1.00 . A A . 10 GLU HA 1 1 5 3228 1 1 8 GLU HB2 H 12.838 -2.084 2.037 1.00 . A A . 10 GLU HB2 1 1 5 3229 1 1 8 GLU HB3 H 12.889 -0.936 0.700 1.00 . A A . 10 GLU HB3 1 1 5 3230 1 1 8 GLU HG2 H 10.379 -0.692 0.941 1.00 . A A . 10 GLU HG2 1 1 5 3231 1 1 8 GLU HG3 H 10.504 -1.635 2.428 1.00 . A A . 10 GLU HG3 1 1 5 3232 1 1 8 GLU N N 11.242 -2.165 -0.962 1.00 . A A . 10 GLU N 1 1 5 3233 1 1 8 GLU O O 10.772 -3.756 2.138 1.00 . A A . 10 GLU O 1 1 5 3234 1 1 8 GLU OE1 O 12.617 0.588 2.562 1.00 . A A . 10 GLU OE1 1 1 5 3235 1 1 8 GLU OE2 O 10.554 0.945 3.073 1.00 . A A . 10 GLU OE2 1 1 5 3236 1 1 9 TYR C C 9.268 -6.724 0.237 1.00 . A A . 11 TYR C 1 1 5 3237 1 1 9 TYR CA C 9.047 -5.299 0.750 1.00 . A A . 11 TYR CA 1 1 5 3238 1 1 9 TYR CB C 7.658 -4.802 0.344 1.00 . A A . 11 TYR CB 1 1 5 3239 1 1 9 TYR CD1 C 7.713 -2.510 1.374 1.00 . A A . 11 TYR CD1 1 1 5 3240 1 1 9 TYR CD2 C 6.220 -4.171 2.318 1.00 . A A . 11 TYR CD2 1 1 5 3241 1 1 9 TYR CE1 C 7.283 -1.580 2.326 1.00 . A A . 11 TYR CE1 1 1 5 3242 1 1 9 TYR CE2 C 5.790 -3.241 3.274 1.00 . A A . 11 TYR CE2 1 1 5 3243 1 1 9 TYR CG C 7.181 -3.803 1.368 1.00 . A A . 11 TYR CG 1 1 5 3244 1 1 9 TYR CZ C 6.322 -1.944 3.277 1.00 . A A . 11 TYR CZ 1 1 5 3245 1 1 9 TYR H H 10.146 -4.315 -0.819 1.00 . A A . 11 TYR H 1 1 5 3246 1 1 9 TYR HA H 9.134 -5.285 1.825 1.00 . A A . 11 TYR HA 1 1 5 3247 1 1 9 TYR HB2 H 7.716 -4.325 -0.624 1.00 . A A . 11 TYR HB2 1 1 5 3248 1 1 9 TYR HB3 H 6.969 -5.630 0.292 1.00 . A A . 11 TYR HB3 1 1 5 3249 1 1 9 TYR HD1 H 8.454 -2.229 0.641 1.00 . A A . 11 TYR HD1 1 1 5 3250 1 1 9 TYR HD2 H 5.807 -5.171 2.313 1.00 . A A . 11 TYR HD2 1 1 5 3251 1 1 9 TYR HE1 H 7.697 -0.582 2.325 1.00 . A A . 11 TYR HE1 1 1 5 3252 1 1 9 TYR HE2 H 5.048 -3.522 4.008 1.00 . A A . 11 TYR HE2 1 1 5 3253 1 1 9 TYR HH H 5.287 -0.424 3.791 1.00 . A A . 11 TYR HH 1 1 5 3254 1 1 9 TYR N N 10.068 -4.391 0.156 1.00 . A A . 11 TYR N 1 1 5 3255 1 1 9 TYR O O 10.022 -6.933 -0.694 1.00 . A A . 11 TYR O 1 1 5 3256 1 1 9 TYR OH O 5.901 -1.027 4.218 1.00 . A A . 11 TYR OH 1 1 5 3257 1 1 10 PRO C C 8.471 -7.174 3.292 1.00 . A A . 12 PRO C 1 1 5 3258 1 1 10 PRO CA C 7.694 -7.414 1.995 1.00 . A A . 12 PRO CA 1 1 5 3259 1 1 10 PRO CB C 6.876 -8.706 2.086 1.00 . A A . 12 PRO CB 1 1 5 3260 1 1 10 PRO CD C 8.727 -9.091 0.490 1.00 . A A . 12 PRO CD 1 1 5 3261 1 1 10 PRO CG C 7.726 -9.811 1.411 1.00 . A A . 12 PRO CG 1 1 5 3262 1 1 10 PRO HA H 7.043 -6.586 1.787 1.00 . A A . 12 PRO HA 1 1 5 3263 1 1 10 PRO HB2 H 6.692 -8.955 3.122 1.00 . A A . 12 PRO HB2 1 1 5 3264 1 1 10 PRO HB3 H 5.943 -8.592 1.557 1.00 . A A . 12 PRO HB3 1 1 5 3265 1 1 10 PRO HD2 H 9.730 -9.452 0.670 1.00 . A A . 12 PRO HD2 1 1 5 3266 1 1 10 PRO HD3 H 8.455 -9.228 -0.545 1.00 . A A . 12 PRO HD3 1 1 5 3267 1 1 10 PRO HG2 H 8.254 -10.381 2.163 1.00 . A A . 12 PRO HG2 1 1 5 3268 1 1 10 PRO HG3 H 7.093 -10.459 0.827 1.00 . A A . 12 PRO HG3 1 1 5 3269 1 1 10 PRO N N 8.611 -7.669 0.864 1.00 . A A . 12 PRO N 1 1 5 3270 1 1 10 PRO O O 9.679 -7.293 3.339 1.00 . A A . 12 PRO O 1 1 5 3271 1 1 11 LYS C C 7.934 -7.583 6.684 1.00 . A A . 13 LYS C 1 1 5 3272 1 1 11 LYS CA C 8.464 -6.589 5.647 1.00 . A A . 13 LYS CA 1 1 5 3273 1 1 11 LYS CB C 8.176 -5.162 6.130 1.00 . A A . 13 LYS CB 1 1 5 3274 1 1 11 LYS CD C 9.524 -3.688 4.621 1.00 . A A . 13 LYS CD 1 1 5 3275 1 1 11 LYS CE C 9.985 -2.734 5.725 1.00 . A A . 13 LYS CE 1 1 5 3276 1 1 11 LYS CG C 8.116 -4.197 4.940 1.00 . A A . 13 LYS CG 1 1 5 3277 1 1 11 LYS H H 6.805 -6.749 4.283 1.00 . A A . 13 LYS H 1 1 5 3278 1 1 11 LYS HA H 9.528 -6.725 5.526 1.00 . A A . 13 LYS HA 1 1 5 3279 1 1 11 LYS HB2 H 7.231 -5.145 6.652 1.00 . A A . 13 LYS HB2 1 1 5 3280 1 1 11 LYS HB3 H 8.961 -4.849 6.802 1.00 . A A . 13 LYS HB3 1 1 5 3281 1 1 11 LYS HD2 H 10.204 -4.524 4.556 1.00 . A A . 13 LYS HD2 1 1 5 3282 1 1 11 LYS HD3 H 9.508 -3.161 3.680 1.00 . A A . 13 LYS HD3 1 1 5 3283 1 1 11 LYS HE2 H 9.775 -3.171 6.690 1.00 . A A . 13 LYS HE2 1 1 5 3284 1 1 11 LYS HE3 H 11.048 -2.564 5.631 1.00 . A A . 13 LYS HE3 1 1 5 3285 1 1 11 LYS HG2 H 7.712 -4.705 4.079 1.00 . A A . 13 LYS HG2 1 1 5 3286 1 1 11 LYS HG3 H 7.484 -3.359 5.193 1.00 . A A . 13 LYS HG3 1 1 5 3287 1 1 11 LYS HZ1 H 9.906 -0.656 5.826 1.00 . A A . 13 LYS HZ1 1 1 5 3288 1 1 11 LYS HZ2 H 8.453 -1.426 6.254 1.00 . A A . 13 LYS HZ2 1 1 5 3289 1 1 11 LYS HZ3 H 8.918 -1.325 4.622 1.00 . A A . 13 LYS HZ3 1 1 5 3290 1 1 11 LYS N N 7.779 -6.837 4.347 1.00 . A A . 13 LYS N 1 1 5 3291 1 1 11 LYS NZ N 9.261 -1.437 5.597 1.00 . A A . 13 LYS NZ 1 1 5 3292 1 1 11 LYS O O 6.832 -8.082 6.554 1.00 . A A . 13 LYS O 1 1 5 3293 1 1 12 PRO C C 7.411 -8.089 9.758 1.00 . A A . 14 PRO C 1 1 5 3294 1 1 12 PRO CA C 8.371 -8.766 8.773 1.00 . A A . 14 PRO CA 1 1 5 3295 1 1 12 PRO CB C 9.713 -9.077 9.441 1.00 . A A . 14 PRO CB 1 1 5 3296 1 1 12 PRO CD C 10.069 -7.225 7.833 1.00 . A A . 14 PRO CD 1 1 5 3297 1 1 12 PRO CG C 10.661 -7.907 9.082 1.00 . A A . 14 PRO CG 1 1 5 3298 1 1 12 PRO HA H 7.938 -9.669 8.376 1.00 . A A . 14 PRO HA 1 1 5 3299 1 1 12 PRO HB2 H 9.585 -9.139 10.514 1.00 . A A . 14 PRO HB2 1 1 5 3300 1 1 12 PRO HB3 H 10.114 -10.000 9.057 1.00 . A A . 14 PRO HB3 1 1 5 3301 1 1 12 PRO HD2 H 9.986 -6.159 7.990 1.00 . A A . 14 PRO HD2 1 1 5 3302 1 1 12 PRO HD3 H 10.671 -7.437 6.963 1.00 . A A . 14 PRO HD3 1 1 5 3303 1 1 12 PRO HG2 H 10.709 -7.205 9.903 1.00 . A A . 14 PRO HG2 1 1 5 3304 1 1 12 PRO HG3 H 11.646 -8.285 8.859 1.00 . A A . 14 PRO HG3 1 1 5 3305 1 1 12 PRO N N 8.733 -7.837 7.688 1.00 . A A . 14 PRO N 1 1 5 3306 1 1 12 PRO O O 6.758 -8.742 10.550 1.00 . A A . 14 PRO O 1 1 5 3307 1 1 13 ALA C C 6.414 -4.577 10.340 1.00 . A A . 15 ALA C 1 1 5 3308 1 1 13 ALA CA C 6.400 -6.074 10.648 1.00 . A A . 15 ALA CA 1 1 5 3309 1 1 13 ALA CB C 6.859 -6.299 12.090 1.00 . A A . 15 ALA CB 1 1 5 3310 1 1 13 ALA H H 7.851 -6.278 9.069 1.00 . A A . 15 ALA H 1 1 5 3311 1 1 13 ALA HA H 5.397 -6.457 10.526 1.00 . A A . 15 ALA HA 1 1 5 3312 1 1 13 ALA HB1 H 6.984 -7.357 12.268 1.00 . A A . 15 ALA HB1 1 1 5 3313 1 1 13 ALA HB2 H 6.116 -5.906 12.769 1.00 . A A . 15 ALA HB2 1 1 5 3314 1 1 13 ALA HB3 H 7.800 -5.792 12.252 1.00 . A A . 15 ALA HB3 1 1 5 3315 1 1 13 ALA N N 7.319 -6.788 9.715 1.00 . A A . 15 ALA N 1 1 5 3316 1 1 13 ALA O O 7.432 -4.014 9.987 1.00 . A A . 15 ALA O 1 1 5 3317 1 1 14 CYS C C 4.643 -1.741 11.406 1.00 . A A . 16 CYS C 1 1 5 3318 1 1 14 CYS CA C 5.236 -2.462 10.193 1.00 . A A . 16 CYS CA 1 1 5 3319 1 1 14 CYS CB C 4.368 -2.187 8.953 1.00 . A A . 16 CYS CB 1 1 5 3320 1 1 14 CYS H H 4.484 -4.400 10.760 1.00 . A A . 16 CYS H 1 1 5 3321 1 1 14 CYS HA H 6.236 -2.097 10.018 1.00 . A A . 16 CYS HA 1 1 5 3322 1 1 14 CYS HB2 H 3.834 -1.258 9.089 1.00 . A A . 16 CYS HB2 1 1 5 3323 1 1 14 CYS HB3 H 5.005 -2.109 8.085 1.00 . A A . 16 CYS HB3 1 1 5 3324 1 1 14 CYS N N 5.290 -3.926 10.472 1.00 . A A . 16 CYS N 1 1 5 3325 1 1 14 CYS O O 4.531 -2.301 12.479 1.00 . A A . 16 CYS O 1 1 5 3326 1 1 14 CYS SG S 3.172 -3.526 8.704 1.00 . A A . 16 CYS SG 1 1 5 3327 1 1 15 THR C C 2.179 0.371 12.232 1.00 . A A . 17 THR C 1 1 5 3328 1 1 15 THR CA C 3.694 0.253 12.397 1.00 . A A . 17 THR CA 1 1 5 3329 1 1 15 THR CB C 4.306 1.654 12.441 1.00 . A A . 17 THR CB 1 1 5 3330 1 1 15 THR CG2 C 5.044 1.850 13.766 1.00 . A A . 17 THR CG2 1 1 5 3331 1 1 15 THR H H 4.374 -0.062 10.379 1.00 . A A . 17 THR H 1 1 5 3332 1 1 15 THR HA H 3.915 -0.264 13.318 1.00 . A A . 17 THR HA 1 1 5 3333 1 1 15 THR HB H 3.522 2.391 12.354 1.00 . A A . 17 THR HB 1 1 5 3334 1 1 15 THR HG1 H 5.943 2.351 11.658 1.00 . A A . 17 THR HG1 1 1 5 3335 1 1 15 THR HG21 H 5.931 2.445 13.600 1.00 . A A . 17 THR HG21 1 1 5 3336 1 1 15 THR HG22 H 5.325 0.888 14.167 1.00 . A A . 17 THR HG22 1 1 5 3337 1 1 15 THR HG23 H 4.396 2.357 14.467 1.00 . A A . 17 THR HG23 1 1 5 3338 1 1 15 THR N N 4.270 -0.500 11.250 1.00 . A A . 17 THR N 1 1 5 3339 1 1 15 THR O O 1.621 -0.020 11.225 1.00 . A A . 17 THR O 1 1 5 3340 1 1 15 THR OG1 O 5.216 1.802 11.360 1.00 . A A . 17 THR OG1 1 1 5 3341 1 1 16 MET C C -0.281 2.427 12.486 1.00 . A A . 18 MET C 1 1 5 3342 1 1 16 MET CA C 0.034 1.071 13.113 1.00 . A A . 18 MET CA 1 1 5 3343 1 1 16 MET CB C -0.581 1.004 14.511 1.00 . A A . 18 MET CB 1 1 5 3344 1 1 16 MET CE C -0.940 -1.241 17.515 1.00 . A A . 18 MET CE 1 1 5 3345 1 1 16 MET CG C -0.767 -0.457 14.920 1.00 . A A . 18 MET CG 1 1 5 3346 1 1 16 MET H H 1.985 1.230 14.010 1.00 . A A . 18 MET H 1 1 5 3347 1 1 16 MET HA H -0.373 0.282 12.497 1.00 . A A . 18 MET HA 1 1 5 3348 1 1 16 MET HB2 H 0.074 1.497 15.216 1.00 . A A . 18 MET HB2 1 1 5 3349 1 1 16 MET HB3 H -1.541 1.498 14.504 1.00 . A A . 18 MET HB3 1 1 5 3350 1 1 16 MET HE1 H -1.136 -2.298 17.625 1.00 . A A . 18 MET HE1 1 1 5 3351 1 1 16 MET HE2 H -1.137 -0.743 18.450 1.00 . A A . 18 MET HE2 1 1 5 3352 1 1 16 MET HE3 H 0.094 -1.088 17.239 1.00 . A A . 18 MET HE3 1 1 5 3353 1 1 16 MET HG2 H -1.091 -1.032 14.066 1.00 . A A . 18 MET HG2 1 1 5 3354 1 1 16 MET HG3 H 0.171 -0.852 15.284 1.00 . A A . 18 MET HG3 1 1 5 3355 1 1 16 MET N N 1.512 0.916 13.212 1.00 . A A . 18 MET N 1 1 5 3356 1 1 16 MET O O -1.370 2.948 12.618 1.00 . A A . 18 MET O 1 1 5 3357 1 1 16 MET SD S -2.014 -0.561 16.229 1.00 . A A . 18 MET SD 1 1 5 3358 1 1 17 GLU C C -0.876 4.293 10.388 1.00 . A A . 19 GLU C 1 1 5 3359 1 1 17 GLU CA C 0.435 4.331 11.171 1.00 . A A . 19 GLU CA 1 1 5 3360 1 1 17 GLU CB C 1.588 4.646 10.215 1.00 . A A . 19 GLU CB 1 1 5 3361 1 1 17 GLU CD C 1.435 7.101 10.661 1.00 . A A . 19 GLU CD 1 1 5 3362 1 1 17 GLU CG C 1.367 6.022 9.580 1.00 . A A . 19 GLU CG 1 1 5 3363 1 1 17 GLU H H 1.542 2.567 11.712 1.00 . A A . 19 GLU H 1 1 5 3364 1 1 17 GLU HA H 0.380 5.094 11.932 1.00 . A A . 19 GLU HA 1 1 5 3365 1 1 17 GLU HB2 H 2.520 4.646 10.761 1.00 . A A . 19 GLU HB2 1 1 5 3366 1 1 17 GLU HB3 H 1.626 3.897 9.438 1.00 . A A . 19 GLU HB3 1 1 5 3367 1 1 17 GLU HG2 H 2.133 6.203 8.840 1.00 . A A . 19 GLU HG2 1 1 5 3368 1 1 17 GLU HG3 H 0.397 6.048 9.108 1.00 . A A . 19 GLU HG3 1 1 5 3369 1 1 17 GLU N N 0.671 3.005 11.805 1.00 . A A . 19 GLU N 1 1 5 3370 1 1 17 GLU O O -1.059 3.473 9.510 1.00 . A A . 19 GLU O 1 1 5 3371 1 1 17 GLU OE1 O 2.505 7.292 11.212 1.00 . A A . 19 GLU OE1 1 1 5 3372 1 1 17 GLU OE2 O 0.414 7.716 10.921 1.00 . A A . 19 GLU OE2 1 1 5 3373 1 1 18 TYR C C -2.914 5.945 8.650 1.00 . A A . 20 TYR C 1 1 5 3374 1 1 18 TYR CA C -3.081 5.173 9.954 1.00 . A A . 20 TYR CA 1 1 5 3375 1 1 18 TYR CB C -4.165 5.833 10.796 1.00 . A A . 20 TYR CB 1 1 5 3376 1 1 18 TYR CD1 C -5.886 4.469 9.560 1.00 . A A . 20 TYR CD1 1 1 5 3377 1 1 18 TYR CD2 C -6.093 4.709 11.963 1.00 . A A . 20 TYR CD2 1 1 5 3378 1 1 18 TYR CE1 C -7.043 3.682 9.537 1.00 . A A . 20 TYR CE1 1 1 5 3379 1 1 18 TYR CE2 C -7.251 3.923 11.942 1.00 . A A . 20 TYR CE2 1 1 5 3380 1 1 18 TYR CG C -5.411 4.982 10.772 1.00 . A A . 20 TYR CG 1 1 5 3381 1 1 18 TYR CZ C -7.726 3.410 10.729 1.00 . A A . 20 TYR CZ 1 1 5 3382 1 1 18 TYR H H -1.627 5.828 11.401 1.00 . A A . 20 TYR H 1 1 5 3383 1 1 18 TYR HA H -3.367 4.156 9.732 1.00 . A A . 20 TYR HA 1 1 5 3384 1 1 18 TYR HB2 H -3.815 5.933 11.809 1.00 . A A . 20 TYR HB2 1 1 5 3385 1 1 18 TYR HB3 H -4.387 6.807 10.390 1.00 . A A . 20 TYR HB3 1 1 5 3386 1 1 18 TYR HD1 H -5.358 4.679 8.640 1.00 . A A . 20 TYR HD1 1 1 5 3387 1 1 18 TYR HD2 H -5.727 5.105 12.899 1.00 . A A . 20 TYR HD2 1 1 5 3388 1 1 18 TYR HE1 H -7.410 3.287 8.603 1.00 . A A . 20 TYR HE1 1 1 5 3389 1 1 18 TYR HE2 H -7.778 3.712 12.862 1.00 . A A . 20 TYR HE2 1 1 5 3390 1 1 18 TYR HH H -8.645 1.789 10.315 1.00 . A A . 20 TYR HH 1 1 5 3391 1 1 18 TYR N N -1.790 5.172 10.692 1.00 . A A . 20 TYR N 1 1 5 3392 1 1 18 TYR O O -2.888 7.160 8.625 1.00 . A A . 20 TYR O 1 1 5 3393 1 1 18 TYR OH O -8.869 2.635 10.709 1.00 . A A . 20 TYR OH 1 1 5 3394 1 1 19 ARG C C -3.498 5.165 5.215 1.00 . A A . 21 ARG C 1 1 5 3395 1 1 19 ARG CA C -2.637 5.902 6.248 1.00 . A A . 21 ARG CA 1 1 5 3396 1 1 19 ARG CB C -1.168 5.838 5.825 1.00 . A A . 21 ARG CB 1 1 5 3397 1 1 19 ARG CD C -0.718 8.091 4.837 1.00 . A A . 21 ARG CD 1 1 5 3398 1 1 19 ARG CG C -0.976 6.615 4.522 1.00 . A A . 21 ARG CG 1 1 5 3399 1 1 19 ARG CZ C -1.078 10.110 3.545 1.00 . A A . 21 ARG CZ 1 1 5 3400 1 1 19 ARG H H -2.829 4.266 7.630 1.00 . A A . 21 ARG H 1 1 5 3401 1 1 19 ARG HA H -2.946 6.933 6.319 1.00 . A A . 21 ARG HA 1 1 5 3402 1 1 19 ARG HB2 H -0.553 6.271 6.599 1.00 . A A . 21 ARG HB2 1 1 5 3403 1 1 19 ARG HB3 H -0.884 4.808 5.672 1.00 . A A . 21 ARG HB3 1 1 5 3404 1 1 19 ARG HD2 H -1.510 8.470 5.464 1.00 . A A . 21 ARG HD2 1 1 5 3405 1 1 19 ARG HD3 H 0.227 8.189 5.353 1.00 . A A . 21 ARG HD3 1 1 5 3406 1 1 19 ARG HE H -0.337 8.450 2.746 1.00 . A A . 21 ARG HE 1 1 5 3407 1 1 19 ARG HG2 H -0.132 6.208 3.982 1.00 . A A . 21 ARG HG2 1 1 5 3408 1 1 19 ARG HG3 H -1.866 6.530 3.917 1.00 . A A . 21 ARG HG3 1 1 5 3409 1 1 19 ARG HH11 H -2.823 9.718 4.443 1.00 . A A . 21 ARG HH11 1 1 5 3410 1 1 19 ARG HH12 H -2.553 11.377 4.023 1.00 . A A . 21 ARG HH12 1 1 5 3411 1 1 19 ARG HH21 H 0.574 10.796 2.643 1.00 . A A . 21 ARG HH21 1 1 5 3412 1 1 19 ARG HH22 H -0.630 11.987 3.010 1.00 . A A . 21 ARG HH22 1 1 5 3413 1 1 19 ARG N N -2.802 5.240 7.570 1.00 . A A . 21 ARG N 1 1 5 3414 1 1 19 ARG NE N -0.672 8.870 3.565 1.00 . A A . 21 ARG NE 1 1 5 3415 1 1 19 ARG NH1 N -2.243 10.426 4.043 1.00 . A A . 21 ARG NH1 1 1 5 3416 1 1 19 ARG NH2 N -0.319 11.036 3.025 1.00 . A A . 21 ARG NH2 1 1 5 3417 1 1 19 ARG O O -3.166 4.069 4.810 1.00 . A A . 21 ARG O 1 1 5 3418 1 1 20 PRO C C -4.956 5.308 2.429 1.00 . A A . 22 PRO C 1 1 5 3419 1 1 20 PRO CA C -5.518 5.196 3.847 1.00 . A A . 22 PRO CA 1 1 5 3420 1 1 20 PRO CB C -6.785 6.041 4.007 1.00 . A A . 22 PRO CB 1 1 5 3421 1 1 20 PRO CD C -4.983 7.119 5.313 1.00 . A A . 22 PRO CD 1 1 5 3422 1 1 20 PRO CG C -6.338 7.382 4.634 1.00 . A A . 22 PRO CG 1 1 5 3423 1 1 20 PRO HA H -5.730 4.169 4.093 1.00 . A A . 22 PRO HA 1 1 5 3424 1 1 20 PRO HB2 H -7.239 6.213 3.042 1.00 . A A . 22 PRO HB2 1 1 5 3425 1 1 20 PRO HB3 H -7.482 5.547 4.665 1.00 . A A . 22 PRO HB3 1 1 5 3426 1 1 20 PRO HD2 H -4.260 7.865 5.013 1.00 . A A . 22 PRO HD2 1 1 5 3427 1 1 20 PRO HD3 H -5.093 7.105 6.387 1.00 . A A . 22 PRO HD3 1 1 5 3428 1 1 20 PRO HG2 H -6.229 8.133 3.862 1.00 . A A . 22 PRO HG2 1 1 5 3429 1 1 20 PRO HG3 H -7.058 7.707 5.370 1.00 . A A . 22 PRO HG3 1 1 5 3430 1 1 20 PRO N N -4.585 5.783 4.825 1.00 . A A . 22 PRO N 1 1 5 3431 1 1 20 PRO O O -4.840 6.385 1.879 1.00 . A A . 22 PRO O 1 1 5 3432 1 1 21 LEU C C -4.972 3.451 -0.486 1.00 . A A . 23 LEU C 1 1 5 3433 1 1 21 LEU CA C -4.056 4.237 0.448 1.00 . A A . 23 LEU CA 1 1 5 3434 1 1 21 LEU CB C -2.667 3.597 0.432 1.00 . A A . 23 LEU CB 1 1 5 3435 1 1 21 LEU CD1 C -0.248 3.955 0.946 1.00 . A A . 23 LEU CD1 1 1 5 3436 1 1 21 LEU CD2 C -1.609 5.806 -0.037 1.00 . A A . 23 LEU CD2 1 1 5 3437 1 1 21 LEU CG C -1.631 4.610 0.917 1.00 . A A . 23 LEU CG 1 1 5 3438 1 1 21 LEU H H -4.713 3.343 2.295 1.00 . A A . 23 LEU H 1 1 5 3439 1 1 21 LEU HA H -3.986 5.260 0.113 1.00 . A A . 23 LEU HA 1 1 5 3440 1 1 21 LEU HB2 H -2.661 2.734 1.083 1.00 . A A . 23 LEU HB2 1 1 5 3441 1 1 21 LEU HB3 H -2.425 3.290 -0.579 1.00 . A A . 23 LEU HB3 1 1 5 3442 1 1 21 LEU HD11 H 0.413 4.483 0.273 1.00 . A A . 23 LEU HD11 1 1 5 3443 1 1 21 LEU HD12 H -0.331 2.925 0.633 1.00 . A A . 23 LEU HD12 1 1 5 3444 1 1 21 LEU HD13 H 0.150 3.998 1.949 1.00 . A A . 23 LEU HD13 1 1 5 3445 1 1 21 LEU HD21 H -0.588 6.041 -0.295 1.00 . A A . 23 LEU HD21 1 1 5 3446 1 1 21 LEU HD22 H -2.065 6.658 0.444 1.00 . A A . 23 LEU HD22 1 1 5 3447 1 1 21 LEU HD23 H -2.160 5.561 -0.933 1.00 . A A . 23 LEU HD23 1 1 5 3448 1 1 21 LEU HG H -1.892 4.944 1.911 1.00 . A A . 23 LEU HG 1 1 5 3449 1 1 21 LEU N N -4.608 4.201 1.832 1.00 . A A . 23 LEU N 1 1 5 3450 1 1 21 LEU O O -5.194 2.272 -0.298 1.00 . A A . 23 LEU O 1 1 5 3451 1 1 22 CYS C C -5.518 2.736 -3.548 1.00 . A A . 24 CYS C 1 1 5 3452 1 1 22 CYS CA C -6.377 3.329 -2.437 1.00 . A A . 24 CYS CA 1 1 5 3453 1 1 22 CYS CB C -7.425 4.265 -3.035 1.00 . A A . 24 CYS CB 1 1 5 3454 1 1 22 CYS H H -5.304 5.030 -1.658 1.00 . A A . 24 CYS H 1 1 5 3455 1 1 22 CYS HA H -6.874 2.535 -1.896 1.00 . A A . 24 CYS HA 1 1 5 3456 1 1 22 CYS HB2 H -7.060 5.281 -3.024 1.00 . A A . 24 CYS HB2 1 1 5 3457 1 1 22 CYS HB3 H -7.652 3.967 -4.046 1.00 . A A . 24 CYS HB3 1 1 5 3458 1 1 22 CYS N N -5.497 4.079 -1.503 1.00 . A A . 24 CYS N 1 1 5 3459 1 1 22 CYS O O -4.991 3.447 -4.374 1.00 . A A . 24 CYS O 1 1 5 3460 1 1 22 CYS SG S -8.911 4.158 -2.036 1.00 . A A . 24 CYS SG 1 1 5 3461 1 1 23 GLY C C -5.259 0.830 -5.956 1.00 . A A . 25 GLY C 1 1 5 3462 1 1 23 GLY CA C -4.516 0.809 -4.620 1.00 . A A . 25 GLY CA 1 1 5 3463 1 1 23 GLY H H -5.781 0.886 -2.880 1.00 . A A . 25 GLY H 1 1 5 3464 1 1 23 GLY HA2 H -3.589 1.355 -4.716 1.00 . A A . 25 GLY HA2 1 1 5 3465 1 1 23 GLY HA3 H -4.305 -0.213 -4.347 1.00 . A A . 25 GLY HA3 1 1 5 3466 1 1 23 GLY N N -5.356 1.442 -3.565 1.00 . A A . 25 GLY N 1 1 5 3467 1 1 23 GLY O O -6.475 0.857 -5.996 1.00 . A A . 25 GLY O 1 1 5 3468 1 1 24 SER C C -6.284 -0.231 -8.470 1.00 . A A . 26 SER C 1 1 5 3469 1 1 24 SER CA C -5.171 0.821 -8.396 1.00 . A A . 26 SER CA 1 1 5 3470 1 1 24 SER CB C -4.105 0.517 -9.453 1.00 . A A . 26 SER CB 1 1 5 3471 1 1 24 SER H H -3.552 0.779 -6.977 1.00 . A A . 26 SER H 1 1 5 3472 1 1 24 SER HA H -5.589 1.799 -8.583 1.00 . A A . 26 SER HA 1 1 5 3473 1 1 24 SER HB2 H -3.872 1.414 -10.000 1.00 . A A . 26 SER HB2 1 1 5 3474 1 1 24 SER HB3 H -3.212 0.155 -8.963 1.00 . A A . 26 SER HB3 1 1 5 3475 1 1 24 SER HG H -3.980 -1.205 -10.349 1.00 . A A . 26 SER HG 1 1 5 3476 1 1 24 SER N N -4.530 0.807 -7.046 1.00 . A A . 26 SER N 1 1 5 3477 1 1 24 SER O O -7.138 -0.179 -9.332 1.00 . A A . 26 SER O 1 1 5 3478 1 1 24 SER OG O -4.595 -0.467 -10.356 1.00 . A A . 26 SER OG 1 1 5 3479 1 1 25 ASP C C -8.617 -1.716 -6.925 1.00 . A A . 27 ASP C 1 1 5 3480 1 1 25 ASP CA C -7.344 -2.235 -7.606 1.00 . A A . 27 ASP CA 1 1 5 3481 1 1 25 ASP CB C -6.843 -3.473 -6.862 1.00 . A A . 27 ASP CB 1 1 5 3482 1 1 25 ASP CG C -6.655 -3.136 -5.383 1.00 . A A . 27 ASP CG 1 1 5 3483 1 1 25 ASP H H -5.587 -1.214 -6.894 1.00 . A A . 27 ASP H 1 1 5 3484 1 1 25 ASP HA H -7.565 -2.497 -8.630 1.00 . A A . 27 ASP HA 1 1 5 3485 1 1 25 ASP HB2 H -7.564 -4.273 -6.962 1.00 . A A . 27 ASP HB2 1 1 5 3486 1 1 25 ASP HB3 H -5.898 -3.785 -7.278 1.00 . A A . 27 ASP HB3 1 1 5 3487 1 1 25 ASP N N -6.284 -1.185 -7.578 1.00 . A A . 27 ASP N 1 1 5 3488 1 1 25 ASP O O -9.466 -2.482 -6.515 1.00 . A A . 27 ASP O 1 1 5 3489 1 1 25 ASP OD1 O -6.691 -1.961 -5.054 1.00 . A A . 27 ASP OD1 1 1 5 3490 1 1 25 ASP OD2 O -6.481 -4.057 -4.602 1.00 . A A . 27 ASP OD2 1 1 5 3491 1 1 26 ASN C C -10.115 -0.451 -4.752 1.00 . A A . 28 ASN C 1 1 5 3492 1 1 26 ASN CA C -9.970 0.139 -6.151 1.00 . A A . 28 ASN CA 1 1 5 3493 1 1 26 ASN CB C -11.205 -0.211 -6.985 1.00 . A A . 28 ASN CB 1 1 5 3494 1 1 26 ASN CG C -11.949 1.072 -7.359 1.00 . A A . 28 ASN CG 1 1 5 3495 1 1 26 ASN H H -8.064 0.175 -7.139 1.00 . A A . 28 ASN H 1 1 5 3496 1 1 26 ASN HA H -9.876 1.213 -6.082 1.00 . A A . 28 ASN HA 1 1 5 3497 1 1 26 ASN HB2 H -10.899 -0.726 -7.885 1.00 . A A . 28 ASN HB2 1 1 5 3498 1 1 26 ASN HB3 H -11.860 -0.848 -6.410 1.00 . A A . 28 ASN HB3 1 1 5 3499 1 1 26 ASN HD21 H -13.671 0.145 -7.695 1.00 . A A . 28 ASN HD21 1 1 5 3500 1 1 26 ASN HD22 H -13.694 1.827 -7.930 1.00 . A A . 28 ASN HD22 1 1 5 3501 1 1 26 ASN N N -8.756 -0.423 -6.803 1.00 . A A . 28 ASN N 1 1 5 3502 1 1 26 ASN ND2 N -13.210 1.009 -7.689 1.00 . A A . 28 ASN ND2 1 1 5 3503 1 1 26 ASN O O -11.201 -0.783 -4.318 1.00 . A A . 28 ASN O 1 1 5 3504 1 1 26 ASN OD1 O -11.377 2.144 -7.352 1.00 . A A . 28 ASN OD1 1 1 5 3505 1 1 27 LYS C C -8.524 -0.203 -1.647 1.00 . A A . 29 LYS C 1 1 5 3506 1 1 27 LYS CA C -9.132 -1.168 -2.666 1.00 . A A . 29 LYS CA 1 1 5 3507 1 1 27 LYS CB C -8.381 -2.499 -2.616 1.00 . A A . 29 LYS CB 1 1 5 3508 1 1 27 LYS CD C -8.392 -4.487 -1.103 1.00 . A A . 29 LYS CD 1 1 5 3509 1 1 27 LYS CE C -8.837 -5.933 -1.324 1.00 . A A . 29 LYS CE 1 1 5 3510 1 1 27 LYS CG C -9.262 -3.554 -1.947 1.00 . A A . 29 LYS CG 1 1 5 3511 1 1 27 LYS H H -8.158 -0.322 -4.405 1.00 . A A . 29 LYS H 1 1 5 3512 1 1 27 LYS HA H -10.169 -1.336 -2.424 1.00 . A A . 29 LYS HA 1 1 5 3513 1 1 27 LYS HB2 H -8.140 -2.813 -3.621 1.00 . A A . 29 LYS HB2 1 1 5 3514 1 1 27 LYS HB3 H -7.470 -2.379 -2.049 1.00 . A A . 29 LYS HB3 1 1 5 3515 1 1 27 LYS HD2 H -7.357 -4.379 -1.395 1.00 . A A . 29 LYS HD2 1 1 5 3516 1 1 27 LYS HD3 H -8.500 -4.235 -0.060 1.00 . A A . 29 LYS HD3 1 1 5 3517 1 1 27 LYS HE2 H -8.871 -6.142 -2.383 1.00 . A A . 29 LYS HE2 1 1 5 3518 1 1 27 LYS HE3 H -8.137 -6.604 -0.847 1.00 . A A . 29 LYS HE3 1 1 5 3519 1 1 27 LYS HG2 H -9.989 -3.068 -1.315 1.00 . A A . 29 LYS HG2 1 1 5 3520 1 1 27 LYS HG3 H -9.771 -4.131 -2.705 1.00 . A A . 29 LYS HG3 1 1 5 3521 1 1 27 LYS HZ1 H -10.842 -6.474 -1.468 1.00 . A A . 29 LYS HZ1 1 1 5 3522 1 1 27 LYS HZ2 H -10.539 -5.221 -0.361 1.00 . A A . 29 LYS HZ2 1 1 5 3523 1 1 27 LYS HZ3 H -10.140 -6.826 0.034 1.00 . A A . 29 LYS HZ3 1 1 5 3524 1 1 27 LYS N N -9.033 -0.591 -4.038 1.00 . A A . 29 LYS N 1 1 5 3525 1 1 27 LYS NZ N -10.192 -6.129 -0.735 1.00 . A A . 29 LYS NZ 1 1 5 3526 1 1 27 LYS O O -7.627 0.554 -1.950 1.00 . A A . 29 LYS O 1 1 5 3527 1 1 28 THR C C -7.338 -0.041 1.363 1.00 . A A . 30 THR C 1 1 5 3528 1 1 28 THR CA C -8.462 0.676 0.611 1.00 . A A . 30 THR CA 1 1 5 3529 1 1 28 THR CB C -9.576 1.056 1.590 1.00 . A A . 30 THR CB 1 1 5 3530 1 1 28 THR CG2 C -9.074 2.146 2.534 1.00 . A A . 30 THR CG2 1 1 5 3531 1 1 28 THR H H -9.733 -0.855 -0.212 1.00 . A A . 30 THR H 1 1 5 3532 1 1 28 THR HA H -8.073 1.569 0.144 1.00 . A A . 30 THR HA 1 1 5 3533 1 1 28 THR HB H -9.862 0.189 2.165 1.00 . A A . 30 THR HB 1 1 5 3534 1 1 28 THR HG1 H -10.775 1.014 0.059 1.00 . A A . 30 THR HG1 1 1 5 3535 1 1 28 THR HG21 H -8.445 1.704 3.293 1.00 . A A . 30 THR HG21 1 1 5 3536 1 1 28 THR HG22 H -9.918 2.631 3.005 1.00 . A A . 30 THR HG22 1 1 5 3537 1 1 28 THR HG23 H -8.506 2.874 1.974 1.00 . A A . 30 THR HG23 1 1 5 3538 1 1 28 THR N N -9.009 -0.232 -0.435 1.00 . A A . 30 THR N 1 1 5 3539 1 1 28 THR O O -7.411 -1.225 1.623 1.00 . A A . 30 THR O 1 1 5 3540 1 1 28 THR OG1 O -10.699 1.533 0.863 1.00 . A A . 30 THR OG1 1 1 5 3541 1 1 29 TYR C C -5.015 0.634 3.821 1.00 . A A . 31 TYR C 1 1 5 3542 1 1 29 TYR CA C -5.165 0.019 2.430 1.00 . A A . 31 TYR CA 1 1 5 3543 1 1 29 TYR CB C -3.885 0.230 1.628 1.00 . A A . 31 TYR CB 1 1 5 3544 1 1 29 TYR CD1 C -3.433 -2.158 0.965 1.00 . A A . 31 TYR CD1 1 1 5 3545 1 1 29 TYR CD2 C -4.047 -0.565 -0.757 1.00 . A A . 31 TYR CD2 1 1 5 3546 1 1 29 TYR CE1 C -3.350 -3.168 0.001 1.00 . A A . 31 TYR CE1 1 1 5 3547 1 1 29 TYR CE2 C -3.969 -1.576 -1.720 1.00 . A A . 31 TYR CE2 1 1 5 3548 1 1 29 TYR CG C -3.780 -0.855 0.586 1.00 . A A . 31 TYR CG 1 1 5 3549 1 1 29 TYR CZ C -3.620 -2.878 -1.341 1.00 . A A . 31 TYR CZ 1 1 5 3550 1 1 29 TYR H H -6.245 1.614 1.484 1.00 . A A . 31 TYR H 1 1 5 3551 1 1 29 TYR HA H -5.355 -1.038 2.526 1.00 . A A . 31 TYR HA 1 1 5 3552 1 1 29 TYR HB2 H -3.916 1.196 1.145 1.00 . A A . 31 TYR HB2 1 1 5 3553 1 1 29 TYR HB3 H -3.036 0.183 2.287 1.00 . A A . 31 TYR HB3 1 1 5 3554 1 1 29 TYR HD1 H -3.226 -2.381 2.001 1.00 . A A . 31 TYR HD1 1 1 5 3555 1 1 29 TYR HD2 H -4.315 0.440 -1.049 1.00 . A A . 31 TYR HD2 1 1 5 3556 1 1 29 TYR HE1 H -3.081 -4.173 0.292 1.00 . A A . 31 TYR HE1 1 1 5 3557 1 1 29 TYR HE2 H -4.174 -1.352 -2.757 1.00 . A A . 31 TYR HE2 1 1 5 3558 1 1 29 TYR HH H -4.385 -4.346 -2.287 1.00 . A A . 31 TYR HH 1 1 5 3559 1 1 29 TYR N N -6.294 0.664 1.707 1.00 . A A . 31 TYR N 1 1 5 3560 1 1 29 TYR O O -5.445 1.743 4.072 1.00 . A A . 31 TYR O 1 1 5 3561 1 1 29 TYR OH O -3.548 -3.877 -2.290 1.00 . A A . 31 TYR OH 1 1 5 3562 1 1 30 GLY C C -3.028 1.400 6.124 1.00 . A A . 32 GLY C 1 1 5 3563 1 1 30 GLY CA C -4.228 0.456 6.105 1.00 . A A . 32 GLY CA 1 1 5 3564 1 1 30 GLY H H -4.070 -0.973 4.503 1.00 . A A . 32 GLY H 1 1 5 3565 1 1 30 GLY HA2 H -5.118 0.994 6.400 1.00 . A A . 32 GLY HA2 1 1 5 3566 1 1 30 GLY HA3 H -4.054 -0.358 6.792 1.00 . A A . 32 GLY HA3 1 1 5 3567 1 1 30 GLY N N -4.408 -0.081 4.729 1.00 . A A . 32 GLY N 1 1 5 3568 1 1 30 GLY O O -2.935 2.284 6.950 1.00 . A A . 32 GLY O 1 1 5 3569 1 1 31 ASN C C 0.048 1.615 4.101 1.00 . A A . 33 ASN C 1 1 5 3570 1 1 31 ASN CA C -0.922 2.112 5.173 1.00 . A A . 33 ASN CA 1 1 5 3571 1 1 31 ASN CB C -0.224 2.112 6.538 1.00 . A A . 33 ASN CB 1 1 5 3572 1 1 31 ASN CG C 0.105 0.677 6.948 1.00 . A A . 33 ASN CG 1 1 5 3573 1 1 31 ASN H H -2.209 0.504 4.554 1.00 . A A . 33 ASN H 1 1 5 3574 1 1 31 ASN HA H -1.238 3.115 4.933 1.00 . A A . 33 ASN HA 1 1 5 3575 1 1 31 ASN HB2 H 0.688 2.686 6.473 1.00 . A A . 33 ASN HB2 1 1 5 3576 1 1 31 ASN HB3 H -0.874 2.554 7.279 1.00 . A A . 33 ASN HB3 1 1 5 3577 1 1 31 ASN HD21 H 1.177 1.230 8.526 1.00 . A A . 33 ASN HD21 1 1 5 3578 1 1 31 ASN HD22 H 1.060 -0.446 8.281 1.00 . A A . 33 ASN HD22 1 1 5 3579 1 1 31 ASN N N -2.111 1.221 5.215 1.00 . A A . 33 ASN N 1 1 5 3580 1 1 31 ASN ND2 N 0.842 0.470 8.006 1.00 . A A . 33 ASN ND2 1 1 5 3581 1 1 31 ASN O O -0.254 0.718 3.339 1.00 . A A . 33 ASN O 1 1 5 3582 1 1 31 ASN OD1 O -0.310 -0.264 6.303 1.00 . A A . 33 ASN OD1 1 1 5 3583 1 1 32 LYS C C 2.673 0.342 3.315 1.00 . A A . 34 LYS C 1 1 5 3584 1 1 32 LYS CA C 2.210 1.769 3.017 1.00 . A A . 34 LYS CA 1 1 5 3585 1 1 32 LYS CB C 3.412 2.715 3.055 1.00 . A A . 34 LYS CB 1 1 5 3586 1 1 32 LYS CD C 5.259 3.584 4.493 1.00 . A A . 34 LYS CD 1 1 5 3587 1 1 32 LYS CE C 6.280 3.463 3.360 1.00 . A A . 34 LYS CE 1 1 5 3588 1 1 32 LYS CG C 4.199 2.491 4.346 1.00 . A A . 34 LYS CG 1 1 5 3589 1 1 32 LYS H H 1.428 2.918 4.659 1.00 . A A . 34 LYS H 1 1 5 3590 1 1 32 LYS HA H 1.759 1.804 2.036 1.00 . A A . 34 LYS HA 1 1 5 3591 1 1 32 LYS HB2 H 4.049 2.524 2.205 1.00 . A A . 34 LYS HB2 1 1 5 3592 1 1 32 LYS HB3 H 3.065 3.737 3.021 1.00 . A A . 34 LYS HB3 1 1 5 3593 1 1 32 LYS HD2 H 4.785 4.553 4.449 1.00 . A A . 34 LYS HD2 1 1 5 3594 1 1 32 LYS HD3 H 5.763 3.470 5.441 1.00 . A A . 34 LYS HD3 1 1 5 3595 1 1 32 LYS HE2 H 6.763 2.498 3.410 1.00 . A A . 34 LYS HE2 1 1 5 3596 1 1 32 LYS HE3 H 5.776 3.563 2.409 1.00 . A A . 34 LYS HE3 1 1 5 3597 1 1 32 LYS HG2 H 3.524 2.527 5.191 1.00 . A A . 34 LYS HG2 1 1 5 3598 1 1 32 LYS HG3 H 4.681 1.526 4.312 1.00 . A A . 34 LYS HG3 1 1 5 3599 1 1 32 LYS HZ1 H 7.256 5.170 2.669 1.00 . A A . 34 LYS HZ1 1 1 5 3600 1 1 32 LYS HZ2 H 8.250 4.110 3.552 1.00 . A A . 34 LYS HZ2 1 1 5 3601 1 1 32 LYS HZ3 H 7.117 5.088 4.359 1.00 . A A . 34 LYS HZ3 1 1 5 3602 1 1 32 LYS N N 1.211 2.196 4.037 1.00 . A A . 34 LYS N 1 1 5 3603 1 1 32 LYS NZ N 7.303 4.539 3.494 1.00 . A A . 34 LYS NZ 1 1 5 3604 1 1 32 LYS O O 3.358 -0.278 2.523 1.00 . A A . 34 LYS O 1 1 5 3605 1 1 33 CYS C C 1.791 -2.557 4.080 1.00 . A A . 35 CYS C 1 1 5 3606 1 1 33 CYS CA C 2.718 -1.577 4.792 1.00 . A A . 35 CYS CA 1 1 5 3607 1 1 33 CYS CB C 2.611 -1.776 6.305 1.00 . A A . 35 CYS CB 1 1 5 3608 1 1 33 CYS H H 1.747 0.323 5.071 1.00 . A A . 35 CYS H 1 1 5 3609 1 1 33 CYS HA H 3.737 -1.743 4.474 1.00 . A A . 35 CYS HA 1 1 5 3610 1 1 33 CYS HB2 H 3.370 -1.187 6.800 1.00 . A A . 35 CYS HB2 1 1 5 3611 1 1 33 CYS HB3 H 1.635 -1.458 6.642 1.00 . A A . 35 CYS HB3 1 1 5 3612 1 1 33 CYS N N 2.303 -0.189 4.450 1.00 . A A . 35 CYS N 1 1 5 3613 1 1 33 CYS O O 2.223 -3.432 3.356 1.00 . A A . 35 CYS O 1 1 5 3614 1 1 33 CYS SG S 2.847 -3.525 6.710 1.00 . A A . 35 CYS SG 1 1 5 3615 1 1 34 ASN C C -0.524 -2.952 2.126 1.00 . A A . 36 ASN C 1 1 5 3616 1 1 34 ASN CA C -0.460 -3.293 3.618 1.00 . A A . 36 ASN CA 1 1 5 3617 1 1 34 ASN CB C -1.817 -3.047 4.265 1.00 . A A . 36 ASN CB 1 1 5 3618 1 1 34 ASN CG C -1.642 -2.760 5.761 1.00 . A A . 36 ASN CG 1 1 5 3619 1 1 34 ASN H H 0.180 -1.696 4.850 1.00 . A A . 36 ASN H 1 1 5 3620 1 1 34 ASN HA H -0.171 -4.323 3.751 1.00 . A A . 36 ASN HA 1 1 5 3621 1 1 34 ASN HB2 H -2.300 -2.207 3.788 1.00 . A A . 36 ASN HB2 1 1 5 3622 1 1 34 ASN HB3 H -2.412 -3.913 4.148 1.00 . A A . 36 ASN HB3 1 1 5 3623 1 1 34 ASN HD21 H -0.131 -4.030 5.974 1.00 . A A . 36 ASN HD21 1 1 5 3624 1 1 34 ASN HD22 H -0.591 -3.206 7.386 1.00 . A A . 36 ASN HD22 1 1 5 3625 1 1 34 ASN N N 0.511 -2.406 4.272 1.00 . A A . 36 ASN N 1 1 5 3626 1 1 34 ASN ND2 N -0.711 -3.383 6.429 1.00 . A A . 36 ASN ND2 1 1 5 3627 1 1 34 ASN O O -1.123 -3.658 1.339 1.00 . A A . 36 ASN O 1 1 5 3628 1 1 34 ASN OD1 O -2.360 -1.958 6.325 1.00 . A A . 36 ASN OD1 1 1 5 3629 1 1 35 PHE C C 1.281 -2.078 -0.410 1.00 . A A . 37 PHE C 1 1 5 3630 1 1 35 PHE CA C 0.080 -1.459 0.307 1.00 . A A . 37 PHE CA 1 1 5 3631 1 1 35 PHE CB C 0.160 0.067 0.232 1.00 . A A . 37 PHE CB 1 1 5 3632 1 1 35 PHE CD1 C -1.133 0.005 -1.930 1.00 . A A . 37 PHE CD1 1 1 5 3633 1 1 35 PHE CD2 C 0.783 1.480 -1.753 1.00 . A A . 37 PHE CD2 1 1 5 3634 1 1 35 PHE CE1 C -1.345 0.439 -3.245 1.00 . A A . 37 PHE CE1 1 1 5 3635 1 1 35 PHE CE2 C 0.572 1.914 -3.065 1.00 . A A . 37 PHE CE2 1 1 5 3636 1 1 35 PHE CG C -0.068 0.527 -1.185 1.00 . A A . 37 PHE CG 1 1 5 3637 1 1 35 PHE CZ C -0.490 1.393 -3.810 1.00 . A A . 37 PHE CZ 1 1 5 3638 1 1 35 PHE H H 0.567 -1.316 2.393 1.00 . A A . 37 PHE H 1 1 5 3639 1 1 35 PHE HA H -0.832 -1.800 -0.161 1.00 . A A . 37 PHE HA 1 1 5 3640 1 1 35 PHE HB2 H -0.595 0.497 0.874 1.00 . A A . 37 PHE HB2 1 1 5 3641 1 1 35 PHE HB3 H 1.136 0.391 0.561 1.00 . A A . 37 PHE HB3 1 1 5 3642 1 1 35 PHE HD1 H -1.790 -0.732 -1.492 1.00 . A A . 37 PHE HD1 1 1 5 3643 1 1 35 PHE HD2 H 1.603 1.882 -1.177 1.00 . A A . 37 PHE HD2 1 1 5 3644 1 1 35 PHE HE1 H -2.164 0.037 -3.823 1.00 . A A . 37 PHE HE1 1 1 5 3645 1 1 35 PHE HE2 H 1.230 2.650 -3.504 1.00 . A A . 37 PHE HE2 1 1 5 3646 1 1 35 PHE HZ H -0.651 1.728 -4.820 1.00 . A A . 37 PHE HZ 1 1 5 3647 1 1 35 PHE N N 0.092 -1.869 1.737 1.00 . A A . 37 PHE N 1 1 5 3648 1 1 35 PHE O O 1.170 -2.579 -1.510 1.00 . A A . 37 PHE O 1 1 5 3649 1 1 36 CYS C C 3.570 -4.155 -0.345 1.00 . A A . 38 CYS C 1 1 5 3650 1 1 36 CYS CA C 3.637 -2.631 -0.434 1.00 . A A . 38 CYS CA 1 1 5 3651 1 1 36 CYS CB C 4.889 -2.131 0.289 1.00 . A A . 38 CYS CB 1 1 5 3652 1 1 36 CYS H H 2.496 -1.635 1.094 1.00 . A A . 38 CYS H 1 1 5 3653 1 1 36 CYS HA H 3.676 -2.333 -1.471 1.00 . A A . 38 CYS HA 1 1 5 3654 1 1 36 CYS HB2 H 4.840 -2.423 1.326 1.00 . A A . 38 CYS HB2 1 1 5 3655 1 1 36 CYS HB3 H 5.766 -2.563 -0.166 1.00 . A A . 38 CYS HB3 1 1 5 3656 1 1 36 CYS N N 2.429 -2.045 0.207 1.00 . A A . 38 CYS N 1 1 5 3657 1 1 36 CYS O O 4.065 -4.860 -1.202 1.00 . A A . 38 CYS O 1 1 5 3658 1 1 36 CYS SG S 4.974 -0.326 0.177 1.00 . A A . 38 CYS SG 1 1 5 3659 1 1 37 ASN C C 1.785 -6.668 -0.126 1.00 . A A . 39 ASN C 1 1 5 3660 1 1 37 ASN CA C 2.858 -6.152 0.824 1.00 . A A . 39 ASN CA 1 1 5 3661 1 1 37 ASN CB C 2.486 -6.516 2.262 1.00 . A A . 39 ASN CB 1 1 5 3662 1 1 37 ASN CG C 3.639 -7.281 2.910 1.00 . A A . 39 ASN CG 1 1 5 3663 1 1 37 ASN H H 2.562 -4.088 1.365 1.00 . A A . 39 ASN H 1 1 5 3664 1 1 37 ASN HA H 3.803 -6.601 0.567 1.00 . A A . 39 ASN HA 1 1 5 3665 1 1 37 ASN HB2 H 2.290 -5.611 2.821 1.00 . A A . 39 ASN HB2 1 1 5 3666 1 1 37 ASN HB3 H 1.601 -7.136 2.258 1.00 . A A . 39 ASN HB3 1 1 5 3667 1 1 37 ASN HD21 H 3.311 -8.937 1.866 1.00 . A A . 39 ASN HD21 1 1 5 3668 1 1 37 ASN HD22 H 4.609 -9.013 2.957 1.00 . A A . 39 ASN HD22 1 1 5 3669 1 1 37 ASN N N 2.959 -4.673 0.686 1.00 . A A . 39 ASN N 1 1 5 3670 1 1 37 ASN ND2 N 3.872 -8.512 2.548 1.00 . A A . 39 ASN ND2 1 1 5 3671 1 1 37 ASN O O 1.976 -7.640 -0.825 1.00 . A A . 39 ASN O 1 1 5 3672 1 1 37 ASN OD1 O 4.334 -6.755 3.756 1.00 . A A . 39 ASN OD1 1 1 5 3673 1 1 38 ALA C C 0.179 -6.432 -2.508 1.00 . A A . 40 ALA C 1 1 5 3674 1 1 38 ALA CA C -0.405 -6.456 -1.103 1.00 . A A . 40 ALA CA 1 1 5 3675 1 1 38 ALA CB C -1.600 -5.503 -1.019 1.00 . A A . 40 ALA CB 1 1 5 3676 1 1 38 ALA H H 0.537 -5.217 0.386 1.00 . A A . 40 ALA H 1 1 5 3677 1 1 38 ALA HA H -0.715 -7.460 -0.851 1.00 . A A . 40 ALA HA 1 1 5 3678 1 1 38 ALA HB1 H -1.261 -4.532 -0.688 1.00 . A A . 40 ALA HB1 1 1 5 3679 1 1 38 ALA HB2 H -2.322 -5.892 -0.317 1.00 . A A . 40 ALA HB2 1 1 5 3680 1 1 38 ALA HB3 H -2.055 -5.413 -1.994 1.00 . A A . 40 ALA HB3 1 1 5 3681 1 1 38 ALA N N 0.663 -6.010 -0.172 1.00 . A A . 40 ALA N 1 1 5 3682 1 1 38 ALA O O -0.231 -7.163 -3.387 1.00 . A A . 40 ALA O 1 1 5 3683 1 1 39 VAL C C 2.790 -6.668 -4.204 1.00 . A A . 41 VAL C 1 1 5 3684 1 1 39 VAL CA C 1.812 -5.502 -4.044 1.00 . A A . 41 VAL CA 1 1 5 3685 1 1 39 VAL CB C 2.575 -4.180 -4.143 1.00 . A A . 41 VAL CB 1 1 5 3686 1 1 39 VAL CG1 C 3.500 -4.211 -5.363 1.00 . A A . 41 VAL CG1 1 1 5 3687 1 1 39 VAL CG2 C 1.581 -3.026 -4.290 1.00 . A A . 41 VAL CG2 1 1 5 3688 1 1 39 VAL H H 1.470 -5.022 -1.971 1.00 . A A . 41 VAL H 1 1 5 3689 1 1 39 VAL HA H 1.062 -5.548 -4.819 1.00 . A A . 41 VAL HA 1 1 5 3690 1 1 39 VAL HB H 3.165 -4.039 -3.248 1.00 . A A . 41 VAL HB 1 1 5 3691 1 1 39 VAL HG11 H 3.152 -4.957 -6.060 1.00 . A A . 41 VAL HG11 1 1 5 3692 1 1 39 VAL HG12 H 4.504 -4.457 -5.046 1.00 . A A . 41 VAL HG12 1 1 5 3693 1 1 39 VAL HG13 H 3.500 -3.242 -5.840 1.00 . A A . 41 VAL HG13 1 1 5 3694 1 1 39 VAL HG21 H 1.980 -2.144 -3.811 1.00 . A A . 41 VAL HG21 1 1 5 3695 1 1 39 VAL HG22 H 0.644 -3.296 -3.825 1.00 . A A . 41 VAL HG22 1 1 5 3696 1 1 39 VAL HG23 H 1.417 -2.822 -5.338 1.00 . A A . 41 VAL HG23 1 1 5 3697 1 1 39 VAL N N 1.158 -5.593 -2.710 1.00 . A A . 41 VAL N 1 1 5 3698 1 1 39 VAL O O 3.006 -7.164 -5.293 1.00 . A A . 41 VAL O 1 1 5 3699 1 1 40 VAL C C 3.606 -9.553 -3.420 1.00 . A A . 42 VAL C 1 1 5 3700 1 1 40 VAL CA C 4.359 -8.236 -3.223 1.00 . A A . 42 VAL CA 1 1 5 3701 1 1 40 VAL CB C 5.181 -8.308 -1.936 1.00 . A A . 42 VAL CB 1 1 5 3702 1 1 40 VAL CG1 C 6.247 -9.396 -2.071 1.00 . A A . 42 VAL CG1 1 1 5 3703 1 1 40 VAL CG2 C 5.858 -6.958 -1.685 1.00 . A A . 42 VAL CG2 1 1 5 3704 1 1 40 VAL H H 3.203 -6.687 -2.257 1.00 . A A . 42 VAL H 1 1 5 3705 1 1 40 VAL HA H 5.019 -8.072 -4.062 1.00 . A A . 42 VAL HA 1 1 5 3706 1 1 40 VAL HB H 4.529 -8.545 -1.108 1.00 . A A . 42 VAL HB 1 1 5 3707 1 1 40 VAL HG11 H 7.207 -8.940 -2.255 1.00 . A A . 42 VAL HG11 1 1 5 3708 1 1 40 VAL HG12 H 5.995 -10.047 -2.895 1.00 . A A . 42 VAL HG12 1 1 5 3709 1 1 40 VAL HG13 H 6.290 -9.972 -1.159 1.00 . A A . 42 VAL HG13 1 1 5 3710 1 1 40 VAL HG21 H 5.736 -6.682 -0.649 1.00 . A A . 42 VAL HG21 1 1 5 3711 1 1 40 VAL HG22 H 5.407 -6.206 -2.315 1.00 . A A . 42 VAL HG22 1 1 5 3712 1 1 40 VAL HG23 H 6.911 -7.036 -1.916 1.00 . A A . 42 VAL HG23 1 1 5 3713 1 1 40 VAL N N 3.389 -7.105 -3.129 1.00 . A A . 42 VAL N 1 1 5 3714 1 1 40 VAL O O 4.130 -10.501 -3.971 1.00 . A A . 42 VAL O 1 1 5 3715 1 1 41 GLU C C 0.898 -10.879 -4.494 1.00 . A A . 43 GLU C 1 1 5 3716 1 1 41 GLU CA C 1.603 -10.884 -3.136 1.00 . A A . 43 GLU CA 1 1 5 3717 1 1 41 GLU CB C 0.559 -10.980 -2.021 1.00 . A A . 43 GLU CB 1 1 5 3718 1 1 41 GLU CD C -1.451 -9.892 -1.010 1.00 . A A . 43 GLU CD 1 1 5 3719 1 1 41 GLU CG C -0.371 -9.769 -2.087 1.00 . A A . 43 GLU CG 1 1 5 3720 1 1 41 GLU H H 1.978 -8.851 -2.532 1.00 . A A . 43 GLU H 1 1 5 3721 1 1 41 GLU HA H 2.271 -11.730 -3.079 1.00 . A A . 43 GLU HA 1 1 5 3722 1 1 41 GLU HB2 H -0.016 -11.887 -2.147 1.00 . A A . 43 GLU HB2 1 1 5 3723 1 1 41 GLU HB3 H 1.057 -10.999 -1.064 1.00 . A A . 43 GLU HB3 1 1 5 3724 1 1 41 GLU HG2 H 0.201 -8.866 -1.924 1.00 . A A . 43 GLU HG2 1 1 5 3725 1 1 41 GLU HG3 H -0.839 -9.726 -3.060 1.00 . A A . 43 GLU HG3 1 1 5 3726 1 1 41 GLU N N 2.383 -9.624 -2.974 1.00 . A A . 43 GLU N 1 1 5 3727 1 1 41 GLU O O 0.508 -11.910 -5.004 1.00 . A A . 43 GLU O 1 1 5 3728 1 1 41 GLU OE1 O -1.092 -10.071 0.141 1.00 . A A . 43 GLU OE1 1 1 5 3729 1 1 41 GLU OE2 O -2.618 -9.804 -1.355 1.00 . A A . 43 GLU OE2 1 1 5 3730 1 1 42 SER C C 1.094 -9.807 -7.521 1.00 . A A . 44 SER C 1 1 5 3731 1 1 42 SER CA C 0.055 -9.660 -6.409 1.00 . A A . 44 SER CA 1 1 5 3732 1 1 42 SER CB C -0.658 -8.315 -6.551 1.00 . A A . 44 SER CB 1 1 5 3733 1 1 42 SER H H 1.055 -8.905 -4.657 1.00 . A A . 44 SER H 1 1 5 3734 1 1 42 SER HA H -0.669 -10.461 -6.483 1.00 . A A . 44 SER HA 1 1 5 3735 1 1 42 SER HB2 H -0.194 -7.590 -5.905 1.00 . A A . 44 SER HB2 1 1 5 3736 1 1 42 SER HB3 H -0.588 -7.977 -7.577 1.00 . A A . 44 SER HB3 1 1 5 3737 1 1 42 SER HG H -2.556 -7.963 -6.803 1.00 . A A . 44 SER HG 1 1 5 3738 1 1 42 SER N N 0.733 -9.726 -5.084 1.00 . A A . 44 SER N 1 1 5 3739 1 1 42 SER O O 0.808 -9.593 -8.683 1.00 . A A . 44 SER O 1 1 5 3740 1 1 42 SER OG O -2.023 -8.464 -6.181 1.00 . A A . 44 SER OG 1 1 5 3741 1 1 43 ASN C C 3.870 -8.951 -8.639 1.00 . A A . 45 ASN C 1 1 5 3742 1 1 43 ASN CA C 3.360 -10.329 -8.210 1.00 . A A . 45 ASN CA 1 1 5 3743 1 1 43 ASN CB C 2.789 -11.064 -9.425 1.00 . A A . 45 ASN CB 1 1 5 3744 1 1 43 ASN CG C 3.935 -11.640 -10.258 1.00 . A A . 45 ASN CG 1 1 5 3745 1 1 43 ASN H H 2.509 -10.335 -6.232 1.00 . A A . 45 ASN H 1 1 5 3746 1 1 43 ASN HA H 4.179 -10.901 -7.798 1.00 . A A . 45 ASN HA 1 1 5 3747 1 1 43 ASN HB2 H 2.147 -11.868 -9.090 1.00 . A A . 45 ASN HB2 1 1 5 3748 1 1 43 ASN HB3 H 2.218 -10.374 -10.029 1.00 . A A . 45 ASN HB3 1 1 5 3749 1 1 43 ASN HD21 H 2.774 -12.095 -11.803 1.00 . A A . 45 ASN HD21 1 1 5 3750 1 1 43 ASN HD22 H 4.415 -12.482 -11.991 1.00 . A A . 45 ASN HD22 1 1 5 3751 1 1 43 ASN N N 2.299 -10.169 -7.174 1.00 . A A . 45 ASN N 1 1 5 3752 1 1 43 ASN ND2 N 3.688 -12.110 -11.450 1.00 . A A . 45 ASN ND2 1 1 5 3753 1 1 43 ASN O O 4.751 -8.836 -9.469 1.00 . A A . 45 ASN O 1 1 5 3754 1 1 43 ASN OD1 O 5.069 -11.661 -9.821 1.00 . A A . 45 ASN OD1 1 1 5 3755 1 1 44 GLY C C 2.826 -5.920 -9.469 1.00 . A A . 46 GLY C 1 1 5 3756 1 1 44 GLY CA C 3.793 -6.536 -8.455 1.00 . A A . 46 GLY CA 1 1 5 3757 1 1 44 GLY H H 2.623 -8.012 -7.408 1.00 . A A . 46 GLY H 1 1 5 3758 1 1 44 GLY HA2 H 3.832 -5.915 -7.572 1.00 . A A . 46 GLY HA2 1 1 5 3759 1 1 44 GLY HA3 H 4.777 -6.599 -8.895 1.00 . A A . 46 GLY HA3 1 1 5 3760 1 1 44 GLY N N 3.330 -7.902 -8.079 1.00 . A A . 46 GLY N 1 1 5 3761 1 1 44 GLY O O 3.085 -4.876 -10.028 1.00 . A A . 46 GLY O 1 1 5 3762 1 1 45 THR C C -0.208 -5.037 -9.978 1.00 . A A . 47 THR C 1 1 5 3763 1 1 45 THR CA C 0.740 -6.003 -10.693 1.00 . A A . 47 THR CA 1 1 5 3764 1 1 45 THR CB C -0.068 -7.144 -11.318 1.00 . A A . 47 THR CB 1 1 5 3765 1 1 45 THR CG2 C 0.562 -7.544 -12.654 1.00 . A A . 47 THR CG2 1 1 5 3766 1 1 45 THR H H 1.520 -7.404 -9.254 1.00 . A A . 47 THR H 1 1 5 3767 1 1 45 THR HA H 1.273 -5.474 -11.471 1.00 . A A . 47 THR HA 1 1 5 3768 1 1 45 THR HB H -1.083 -6.819 -11.486 1.00 . A A . 47 THR HB 1 1 5 3769 1 1 45 THR HG1 H -0.929 -8.310 -10.019 1.00 . A A . 47 THR HG1 1 1 5 3770 1 1 45 THR HG21 H -0.210 -7.618 -13.407 1.00 . A A . 47 THR HG21 1 1 5 3771 1 1 45 THR HG22 H 1.055 -8.499 -12.549 1.00 . A A . 47 THR HG22 1 1 5 3772 1 1 45 THR HG23 H 1.281 -6.796 -12.950 1.00 . A A . 47 THR HG23 1 1 5 3773 1 1 45 THR N N 1.714 -6.560 -9.714 1.00 . A A . 47 THR N 1 1 5 3774 1 1 45 THR O O -1.224 -4.636 -10.513 1.00 . A A . 47 THR O 1 1 5 3775 1 1 45 THR OG1 O -0.067 -8.260 -10.437 1.00 . A A . 47 THR OG1 1 1 5 3776 1 1 46 LEU C C -0.103 -2.343 -7.951 1.00 . A A . 48 LEU C 1 1 5 3777 1 1 46 LEU CA C -0.765 -3.720 -8.021 1.00 . A A . 48 LEU CA 1 1 5 3778 1 1 46 LEU CB C -0.979 -4.251 -6.605 1.00 . A A . 48 LEU CB 1 1 5 3779 1 1 46 LEU CD1 C -3.470 -4.369 -6.736 1.00 . A A . 48 LEU CD1 1 1 5 3780 1 1 46 LEU CD2 C -2.343 -3.977 -4.539 1.00 . A A . 48 LEU CD2 1 1 5 3781 1 1 46 LEU CG C -2.284 -3.695 -6.041 1.00 . A A . 48 LEU CG 1 1 5 3782 1 1 46 LEU H H 0.940 -4.991 -8.358 1.00 . A A . 48 LEU H 1 1 5 3783 1 1 46 LEU HA H -1.719 -3.635 -8.524 1.00 . A A . 48 LEU HA 1 1 5 3784 1 1 46 LEU HB2 H -1.027 -5.331 -6.630 1.00 . A A . 48 LEU HB2 1 1 5 3785 1 1 46 LEU HB3 H -0.158 -3.942 -5.977 1.00 . A A . 48 LEU HB3 1 1 5 3786 1 1 46 LEU HD11 H -4.317 -4.387 -6.066 1.00 . A A . 48 LEU HD11 1 1 5 3787 1 1 46 LEU HD12 H -3.201 -5.381 -7.003 1.00 . A A . 48 LEU HD12 1 1 5 3788 1 1 46 LEU HD13 H -3.725 -3.816 -7.627 1.00 . A A . 48 LEU HD13 1 1 5 3789 1 1 46 LEU HD21 H -3.278 -4.462 -4.299 1.00 . A A . 48 LEU HD21 1 1 5 3790 1 1 46 LEU HD22 H -2.271 -3.046 -3.996 1.00 . A A . 48 LEU HD22 1 1 5 3791 1 1 46 LEU HD23 H -1.520 -4.620 -4.261 1.00 . A A . 48 LEU HD23 1 1 5 3792 1 1 46 LEU HG H -2.327 -2.629 -6.212 1.00 . A A . 48 LEU HG 1 1 5 3793 1 1 46 LEU N N 0.116 -4.658 -8.773 1.00 . A A . 48 LEU N 1 1 5 3794 1 1 46 LEU O O 1.105 -2.230 -7.887 1.00 . A A . 48 LEU O 1 1 5 3795 1 1 47 THR C C -1.100 0.955 -6.964 1.00 . A A . 49 THR C 1 1 5 3796 1 1 47 THR CA C -0.285 0.069 -7.909 1.00 . A A . 49 THR CA 1 1 5 3797 1 1 47 THR CB C -0.282 0.686 -9.310 1.00 . A A . 49 THR CB 1 1 5 3798 1 1 47 THR CG2 C 0.017 -0.401 -10.344 1.00 . A A . 49 THR CG2 1 1 5 3799 1 1 47 THR H H -1.852 -1.405 -8.025 1.00 . A A . 49 THR H 1 1 5 3800 1 1 47 THR HA H 0.727 0.007 -7.546 1.00 . A A . 49 THR HA 1 1 5 3801 1 1 47 THR HB H 0.482 1.447 -9.366 1.00 . A A . 49 THR HB 1 1 5 3802 1 1 47 THR HG1 H -1.599 1.452 -10.520 1.00 . A A . 49 THR HG1 1 1 5 3803 1 1 47 THR HG21 H 0.611 0.014 -11.142 1.00 . A A . 49 THR HG21 1 1 5 3804 1 1 47 THR HG22 H -0.911 -0.780 -10.744 1.00 . A A . 49 THR HG22 1 1 5 3805 1 1 47 THR HG23 H 0.560 -1.205 -9.871 1.00 . A A . 49 THR HG23 1 1 5 3806 1 1 47 THR N N -0.880 -1.295 -7.969 1.00 . A A . 49 THR N 1 1 5 3807 1 1 47 THR O O -1.741 0.481 -6.047 1.00 . A A . 49 THR O 1 1 5 3808 1 1 47 THR OG1 O -1.549 1.266 -9.578 1.00 . A A . 49 THR OG1 1 1 5 3809 1 1 48 LEU C C -2.702 4.075 -7.222 1.00 . A A . 50 LEU C 1 1 5 3810 1 1 48 LEU CA C -1.817 3.197 -6.331 1.00 . A A . 50 LEU CA 1 1 5 3811 1 1 48 LEU CB C -0.825 4.092 -5.575 1.00 . A A . 50 LEU CB 1 1 5 3812 1 1 48 LEU CD1 C -1.416 5.278 -3.455 1.00 . A A . 50 LEU CD1 1 1 5 3813 1 1 48 LEU CD2 C -0.956 6.587 -5.531 1.00 . A A . 50 LEU CD2 1 1 5 3814 1 1 48 LEU CG C -1.562 5.294 -4.978 1.00 . A A . 50 LEU CG 1 1 5 3815 1 1 48 LEU H H -0.536 2.572 -7.936 1.00 . A A . 50 LEU H 1 1 5 3816 1 1 48 LEU HA H -2.429 2.655 -5.620 1.00 . A A . 50 LEU HA 1 1 5 3817 1 1 48 LEU HB2 H -0.358 3.528 -4.782 1.00 . A A . 50 LEU HB2 1 1 5 3818 1 1 48 LEU HB3 H -0.067 4.443 -6.259 1.00 . A A . 50 LEU HB3 1 1 5 3819 1 1 48 LEU HD11 H -1.952 6.115 -3.034 1.00 . A A . 50 LEU HD11 1 1 5 3820 1 1 48 LEU HD12 H -0.372 5.349 -3.193 1.00 . A A . 50 LEU HD12 1 1 5 3821 1 1 48 LEU HD13 H -1.825 4.358 -3.065 1.00 . A A . 50 LEU HD13 1 1 5 3822 1 1 48 LEU HD21 H -0.802 6.487 -6.595 1.00 . A A . 50 LEU HD21 1 1 5 3823 1 1 48 LEU HD22 H -0.009 6.776 -5.047 1.00 . A A . 50 LEU HD22 1 1 5 3824 1 1 48 LEU HD23 H -1.628 7.411 -5.341 1.00 . A A . 50 LEU HD23 1 1 5 3825 1 1 48 LEU HG H -2.610 5.245 -5.241 1.00 . A A . 50 LEU HG 1 1 5 3826 1 1 48 LEU N N -1.064 2.237 -7.191 1.00 . A A . 50 LEU N 1 1 5 3827 1 1 48 LEU O O -2.223 4.753 -8.110 1.00 . A A . 50 LEU O 1 1 5 3828 1 1 49 SER C C -5.015 6.309 -7.235 1.00 . A A . 51 SER C 1 1 5 3829 1 1 49 SER CA C -4.891 4.904 -7.833 1.00 . A A . 51 SER CA 1 1 5 3830 1 1 49 SER CB C -6.275 4.259 -7.882 1.00 . A A . 51 SER CB 1 1 5 3831 1 1 49 SER H H -4.352 3.516 -6.283 1.00 . A A . 51 SER H 1 1 5 3832 1 1 49 SER HA H -4.492 4.974 -8.831 1.00 . A A . 51 SER HA 1 1 5 3833 1 1 49 SER HB2 H -7.030 5.015 -7.734 1.00 . A A . 51 SER HB2 1 1 5 3834 1 1 49 SER HB3 H -6.420 3.792 -8.847 1.00 . A A . 51 SER HB3 1 1 5 3835 1 1 49 SER HG H -6.672 3.736 -6.051 1.00 . A A . 51 SER HG 1 1 5 3836 1 1 49 SER N N -3.984 4.069 -6.997 1.00 . A A . 51 SER N 1 1 5 3837 1 1 49 SER O O -5.290 7.263 -7.936 1.00 . A A . 51 SER O 1 1 5 3838 1 1 49 SER OG O -6.379 3.289 -6.849 1.00 . A A . 51 SER OG 1 1 5 3839 1 1 50 HIS C C -4.705 7.698 -3.824 1.00 . A A . 52 HIS C 1 1 5 3840 1 1 50 HIS CA C -4.931 7.799 -5.333 1.00 . A A . 52 HIS CA 1 1 5 3841 1 1 50 HIS CB C -6.321 8.382 -5.607 1.00 . A A . 52 HIS CB 1 1 5 3842 1 1 50 HIS CD2 C -8.057 6.430 -5.331 1.00 . A A . 52 HIS CD2 1 1 5 3843 1 1 50 HIS CE1 C -8.767 6.920 -3.344 1.00 . A A . 52 HIS CE1 1 1 5 3844 1 1 50 HIS CG C -7.369 7.546 -4.926 1.00 . A A . 52 HIS CG 1 1 5 3845 1 1 50 HIS H H -4.593 5.679 -5.397 1.00 . A A . 52 HIS H 1 1 5 3846 1 1 50 HIS HA H -4.184 8.450 -5.762 1.00 . A A . 52 HIS HA 1 1 5 3847 1 1 50 HIS HB2 H -6.367 9.391 -5.225 1.00 . A A . 52 HIS HB2 1 1 5 3848 1 1 50 HIS HB3 H -6.505 8.392 -6.669 1.00 . A A . 52 HIS HB3 1 1 5 3849 1 1 50 HIS HD1 H -7.544 8.582 -3.088 1.00 . A A . 52 HIS HD1 1 1 5 3850 1 1 50 HIS HD2 H -7.934 5.934 -6.282 1.00 . A A . 52 HIS HD2 1 1 5 3851 1 1 50 HIS HE1 H -9.310 6.900 -2.410 1.00 . A A . 52 HIS HE1 1 1 5 3852 1 1 50 HIS N N -4.818 6.452 -5.951 1.00 . A A . 52 HIS N 1 1 5 3853 1 1 50 HIS ND1 N -7.837 7.839 -3.656 1.00 . A A . 52 HIS ND1 1 1 5 3854 1 1 50 HIS NE2 N -8.940 6.035 -4.330 1.00 . A A . 52 HIS NE2 1 1 5 3855 1 1 50 HIS O O -5.520 7.175 -3.086 1.00 . A A . 52 HIS O 1 1 5 3856 1 1 51 PHE C C -4.534 8.565 -1.114 1.00 . A A . 53 PHE C 1 1 5 3857 1 1 51 PHE CA C -3.289 8.163 -1.911 1.00 . A A . 53 PHE CA 1 1 5 3858 1 1 51 PHE CB C -2.158 9.151 -1.610 1.00 . A A . 53 PHE CB 1 1 5 3859 1 1 51 PHE CD1 C -0.281 7.617 -2.306 1.00 . A A . 53 PHE CD1 1 1 5 3860 1 1 51 PHE CD2 C -0.300 8.485 -0.042 1.00 . A A . 53 PHE CD2 1 1 5 3861 1 1 51 PHE CE1 C 0.902 6.923 -2.029 1.00 . A A . 53 PHE CE1 1 1 5 3862 1 1 51 PHE CE2 C 0.883 7.790 0.235 1.00 . A A . 53 PHE CE2 1 1 5 3863 1 1 51 PHE CG C -0.883 8.398 -1.312 1.00 . A A . 53 PHE CG 1 1 5 3864 1 1 51 PHE CZ C 1.485 7.009 -0.759 1.00 . A A . 53 PHE CZ 1 1 5 3865 1 1 51 PHE H H -2.963 8.611 -3.991 1.00 . A A . 53 PHE H 1 1 5 3866 1 1 51 PHE HA H -2.984 7.166 -1.630 1.00 . A A . 53 PHE HA 1 1 5 3867 1 1 51 PHE HB2 H -2.005 9.790 -2.469 1.00 . A A . 53 PHE HB2 1 1 5 3868 1 1 51 PHE HB3 H -2.427 9.755 -0.758 1.00 . A A . 53 PHE HB3 1 1 5 3869 1 1 51 PHE HD1 H -0.731 7.551 -3.285 1.00 . A A . 53 PHE HD1 1 1 5 3870 1 1 51 PHE HD2 H -0.765 9.087 0.725 1.00 . A A . 53 PHE HD2 1 1 5 3871 1 1 51 PHE HE1 H 1.365 6.318 -2.797 1.00 . A A . 53 PHE HE1 1 1 5 3872 1 1 51 PHE HE2 H 1.331 7.857 1.215 1.00 . A A . 53 PHE HE2 1 1 5 3873 1 1 51 PHE HZ H 2.398 6.473 -0.545 1.00 . A A . 53 PHE HZ 1 1 5 3874 1 1 51 PHE N N -3.597 8.203 -3.367 1.00 . A A . 53 PHE N 1 1 5 3875 1 1 51 PHE O O -4.878 9.729 -1.034 1.00 . A A . 53 PHE O 1 1 5 3876 1 1 52 GLY C C -7.396 6.769 0.241 1.00 . A A . 54 GLY C 1 1 5 3877 1 1 52 GLY CA C -6.430 7.955 0.261 1.00 . A A . 54 GLY CA 1 1 5 3878 1 1 52 GLY H H -4.920 6.688 -0.604 1.00 . A A . 54 GLY H 1 1 5 3879 1 1 52 GLY HA2 H -6.150 8.176 1.281 1.00 . A A . 54 GLY HA2 1 1 5 3880 1 1 52 GLY HA3 H -6.915 8.816 -0.174 1.00 . A A . 54 GLY HA3 1 1 5 3881 1 1 52 GLY N N -5.211 7.619 -0.527 1.00 . A A . 54 GLY N 1 1 5 3882 1 1 52 GLY O O -7.326 5.914 -0.618 1.00 . A A . 54 GLY O 1 1 5 3883 1 1 53 LYS C C -10.273 5.743 0.071 1.00 . A A . 55 LYS C 1 1 5 3884 1 1 53 LYS CA C -9.267 5.576 1.212 1.00 . A A . 55 LYS CA 1 1 5 3885 1 1 53 LYS CB C -10.004 5.564 2.556 1.00 . A A . 55 LYS CB 1 1 5 3886 1 1 53 LYS CD C -11.763 6.686 3.936 1.00 . A A . 55 LYS CD 1 1 5 3887 1 1 53 LYS CE C -13.178 6.139 3.732 1.00 . A A . 55 LYS CE 1 1 5 3888 1 1 53 LYS CG C -11.021 6.707 2.596 1.00 . A A . 55 LYS CG 1 1 5 3889 1 1 53 LYS H H -8.343 7.409 1.866 1.00 . A A . 55 LYS H 1 1 5 3890 1 1 53 LYS HA H -8.731 4.644 1.081 1.00 . A A . 55 LYS HA 1 1 5 3891 1 1 53 LYS HB2 H -10.516 4.622 2.677 1.00 . A A . 55 LYS HB2 1 1 5 3892 1 1 53 LYS HB3 H -9.291 5.693 3.357 1.00 . A A . 55 LYS HB3 1 1 5 3893 1 1 53 LYS HD2 H -11.231 6.055 4.632 1.00 . A A . 55 LYS HD2 1 1 5 3894 1 1 53 LYS HD3 H -11.822 7.689 4.330 1.00 . A A . 55 LYS HD3 1 1 5 3895 1 1 53 LYS HE2 H -13.732 6.804 3.088 1.00 . A A . 55 LYS HE2 1 1 5 3896 1 1 53 LYS HE3 H -13.123 5.161 3.277 1.00 . A A . 55 LYS HE3 1 1 5 3897 1 1 53 LYS HG2 H -10.507 7.651 2.483 1.00 . A A . 55 LYS HG2 1 1 5 3898 1 1 53 LYS HG3 H -11.731 6.584 1.791 1.00 . A A . 55 LYS HG3 1 1 5 3899 1 1 53 LYS HZ1 H -14.325 5.105 5.131 1.00 . A A . 55 LYS HZ1 1 1 5 3900 1 1 53 LYS HZ2 H -14.585 6.785 5.127 1.00 . A A . 55 LYS HZ2 1 1 5 3901 1 1 53 LYS HZ3 H -13.171 6.143 5.816 1.00 . A A . 55 LYS HZ3 1 1 5 3902 1 1 53 LYS N N -8.300 6.711 1.181 1.00 . A A . 55 LYS N 1 1 5 3903 1 1 53 LYS NZ N -13.866 6.035 5.051 1.00 . A A . 55 LYS NZ 1 1 5 3904 1 1 53 LYS O O -10.433 6.816 -0.476 1.00 . A A . 55 LYS O 1 1 5 3905 1 1 54 CYS C C -13.308 4.975 -0.883 1.00 . A A . 56 CYS C 1 1 5 3906 1 1 54 CYS CA C -11.898 4.783 -1.439 1.00 . A A . 56 CYS CA 1 1 5 3907 1 1 54 CYS CB C -11.845 3.500 -2.275 1.00 . A A . 56 CYS CB 1 1 5 3908 1 1 54 CYS H H -10.770 3.823 0.123 1.00 . A A . 56 CYS H 1 1 5 3909 1 1 54 CYS HA H -11.629 5.625 -2.063 1.00 . A A . 56 CYS HA 1 1 5 3910 1 1 54 CYS HB2 H -11.835 2.642 -1.619 1.00 . A A . 56 CYS HB2 1 1 5 3911 1 1 54 CYS HB3 H -12.715 3.452 -2.915 1.00 . A A . 56 CYS HB3 1 1 5 3912 1 1 54 CYS N N -10.930 4.685 -0.312 1.00 . A A . 56 CYS N 1 1 5 3913 1 1 54 CYS O O -14.030 3.995 -0.802 1.00 . A A . 56 CYS O 1 1 5 3914 1 1 54 CYS OXT O -13.645 6.100 -0.548 1.00 . A A . 56 CYS OXT 1 1 5 3915 1 1 54 CYS SG S -10.346 3.498 -3.293 1.00 . A A . 56 CYS SG 1 1 6 3916 1 1 1 ALA C C 5.716 8.968 -7.822 1.00 . A A . 3 ALA C 1 1 6 3917 1 1 1 ALA CA C 6.993 9.373 -8.559 1.00 . A A . 3 ALA CA 1 1 6 3918 1 1 1 ALA CB C 8.209 8.829 -7.806 1.00 . A A . 3 ALA CB 1 1 6 3919 1 1 1 ALA H1 H 6.162 11.245 -8.932 1.00 . A A . 3 ALA H1 1 1 6 3920 1 1 1 ALA H2 H 7.812 11.132 -9.315 1.00 . A A . 3 ALA H2 1 1 6 3921 1 1 1 ALA H3 H 7.318 11.238 -7.693 1.00 . A A . 3 ALA H3 1 1 6 3922 1 1 1 ALA HA H 6.978 8.965 -9.558 1.00 . A A . 3 ALA HA 1 1 6 3923 1 1 1 ALA HB1 H 7.948 8.666 -6.770 1.00 . A A . 3 ALA HB1 1 1 6 3924 1 1 1 ALA HB2 H 9.019 9.541 -7.866 1.00 . A A . 3 ALA HB2 1 1 6 3925 1 1 1 ALA HB3 H 8.518 7.894 -8.249 1.00 . A A . 3 ALA HB3 1 1 6 3926 1 1 1 ALA N N 7.078 10.859 -8.631 1.00 . A A . 3 ALA N 1 1 6 3927 1 1 1 ALA O O 5.486 9.362 -6.696 1.00 . A A . 3 ALA O 1 1 6 3928 1 1 2 VAL C C 3.772 6.320 -7.276 1.00 . A A . 4 VAL C 1 1 6 3929 1 1 2 VAL CA C 3.619 7.757 -7.778 1.00 . A A . 4 VAL CA 1 1 6 3930 1 1 2 VAL CB C 2.458 7.831 -8.773 1.00 . A A . 4 VAL CB 1 1 6 3931 1 1 2 VAL CG1 C 2.645 6.769 -9.857 1.00 . A A . 4 VAL CG1 1 1 6 3932 1 1 2 VAL CG2 C 1.141 7.582 -8.035 1.00 . A A . 4 VAL CG2 1 1 6 3933 1 1 2 VAL H H 5.082 7.879 -9.357 1.00 . A A . 4 VAL H 1 1 6 3934 1 1 2 VAL HA H 3.418 8.410 -6.942 1.00 . A A . 4 VAL HA 1 1 6 3935 1 1 2 VAL HB H 2.439 8.811 -9.230 1.00 . A A . 4 VAL HB 1 1 6 3936 1 1 2 VAL HG11 H 3.652 6.383 -9.815 1.00 . A A . 4 VAL HG11 1 1 6 3937 1 1 2 VAL HG12 H 2.468 7.210 -10.828 1.00 . A A . 4 VAL HG12 1 1 6 3938 1 1 2 VAL HG13 H 1.941 5.964 -9.695 1.00 . A A . 4 VAL HG13 1 1 6 3939 1 1 2 VAL HG21 H 0.674 8.528 -7.802 1.00 . A A . 4 VAL HG21 1 1 6 3940 1 1 2 VAL HG22 H 1.337 7.043 -7.120 1.00 . A A . 4 VAL HG22 1 1 6 3941 1 1 2 VAL HG23 H 0.482 7.000 -8.662 1.00 . A A . 4 VAL HG23 1 1 6 3942 1 1 2 VAL N N 4.880 8.186 -8.448 1.00 . A A . 4 VAL N 1 1 6 3943 1 1 2 VAL O O 2.850 5.530 -7.335 1.00 . A A . 4 VAL O 1 1 6 3944 1 1 3 SER C C 6.294 4.587 -5.268 1.00 . A A . 5 SER C 1 1 6 3945 1 1 3 SER CA C 5.140 4.588 -6.275 1.00 . A A . 5 SER CA 1 1 6 3946 1 1 3 SER CB C 5.483 3.665 -7.443 1.00 . A A . 5 SER CB 1 1 6 3947 1 1 3 SER H H 5.659 6.627 -6.742 1.00 . A A . 5 SER H 1 1 6 3948 1 1 3 SER HA H 4.240 4.240 -5.792 1.00 . A A . 5 SER HA 1 1 6 3949 1 1 3 SER HB2 H 5.034 2.699 -7.285 1.00 . A A . 5 SER HB2 1 1 6 3950 1 1 3 SER HB3 H 5.099 4.092 -8.362 1.00 . A A . 5 SER HB3 1 1 6 3951 1 1 3 SER HG H 7.249 4.297 -7.959 1.00 . A A . 5 SER HG 1 1 6 3952 1 1 3 SER N N 4.929 5.974 -6.781 1.00 . A A . 5 SER N 1 1 6 3953 1 1 3 SER O O 7.232 5.351 -5.385 1.00 . A A . 5 SER O 1 1 6 3954 1 1 3 SER OG O 6.894 3.518 -7.527 1.00 . A A . 5 SER OG 1 1 6 3955 1 1 4 VAL C C 8.265 2.523 -3.574 1.00 . A A . 6 VAL C 1 1 6 3956 1 1 4 VAL CA C 7.328 3.692 -3.271 1.00 . A A . 6 VAL CA 1 1 6 3957 1 1 4 VAL CB C 6.725 3.521 -1.870 1.00 . A A . 6 VAL CB 1 1 6 3958 1 1 4 VAL CG1 C 6.408 2.047 -1.602 1.00 . A A . 6 VAL CG1 1 1 6 3959 1 1 4 VAL CG2 C 7.724 4.019 -0.823 1.00 . A A . 6 VAL CG2 1 1 6 3960 1 1 4 VAL H H 5.468 3.129 -4.202 1.00 . A A . 6 VAL H 1 1 6 3961 1 1 4 VAL HA H 7.886 4.615 -3.308 1.00 . A A . 6 VAL HA 1 1 6 3962 1 1 4 VAL HB H 5.817 4.095 -1.800 1.00 . A A . 6 VAL HB 1 1 6 3963 1 1 4 VAL HG11 H 5.669 1.704 -2.311 1.00 . A A . 6 VAL HG11 1 1 6 3964 1 1 4 VAL HG12 H 6.023 1.937 -0.599 1.00 . A A . 6 VAL HG12 1 1 6 3965 1 1 4 VAL HG13 H 7.308 1.460 -1.709 1.00 . A A . 6 VAL HG13 1 1 6 3966 1 1 4 VAL HG21 H 8.311 3.188 -0.461 1.00 . A A . 6 VAL HG21 1 1 6 3967 1 1 4 VAL HG22 H 7.190 4.468 0.001 1.00 . A A . 6 VAL HG22 1 1 6 3968 1 1 4 VAL HG23 H 8.378 4.753 -1.269 1.00 . A A . 6 VAL HG23 1 1 6 3969 1 1 4 VAL N N 6.233 3.737 -4.281 1.00 . A A . 6 VAL N 1 1 6 3970 1 1 4 VAL O O 8.000 1.702 -4.429 1.00 . A A . 6 VAL O 1 1 6 3971 1 1 5 ASP C C 9.989 0.190 -2.106 1.00 . A A . 7 ASP C 1 1 6 3972 1 1 5 ASP CA C 10.306 1.317 -3.091 1.00 . A A . 7 ASP CA 1 1 6 3973 1 1 5 ASP CB C 11.739 1.808 -2.871 1.00 . A A . 7 ASP CB 1 1 6 3974 1 1 5 ASP CG C 12.725 0.708 -3.267 1.00 . A A . 7 ASP CG 1 1 6 3975 1 1 5 ASP H H 9.542 3.105 -2.173 1.00 . A A . 7 ASP H 1 1 6 3976 1 1 5 ASP HA H 10.199 0.952 -4.103 1.00 . A A . 7 ASP HA 1 1 6 3977 1 1 5 ASP HB2 H 11.914 2.684 -3.480 1.00 . A A . 7 ASP HB2 1 1 6 3978 1 1 5 ASP HB3 H 11.879 2.059 -1.832 1.00 . A A . 7 ASP HB3 1 1 6 3979 1 1 5 ASP N N 9.355 2.436 -2.864 1.00 . A A . 7 ASP N 1 1 6 3980 1 1 5 ASP O O 10.588 0.087 -1.053 1.00 . A A . 7 ASP O 1 1 6 3981 1 1 5 ASP OD1 O 12.763 0.365 -4.437 1.00 . A A . 7 ASP OD1 1 1 6 3982 1 1 5 ASP OD2 O 13.426 0.228 -2.392 1.00 . A A . 7 ASP OD2 1 1 6 3983 1 1 6 CYS C C 9.655 -2.934 -1.676 1.00 . A A . 8 CYS C 1 1 6 3984 1 1 6 CYS CA C 8.668 -1.768 -1.521 1.00 . A A . 8 CYS CA 1 1 6 3985 1 1 6 CYS CB C 7.265 -2.266 -1.875 1.00 . A A . 8 CYS CB 1 1 6 3986 1 1 6 CYS H H 8.566 -0.529 -3.286 1.00 . A A . 8 CYS H 1 1 6 3987 1 1 6 CYS HA H 8.675 -1.422 -0.498 1.00 . A A . 8 CYS HA 1 1 6 3988 1 1 6 CYS HB2 H 7.267 -2.659 -2.881 1.00 . A A . 8 CYS HB2 1 1 6 3989 1 1 6 CYS HB3 H 6.977 -3.046 -1.186 1.00 . A A . 8 CYS HB3 1 1 6 3990 1 1 6 CYS N N 9.041 -0.647 -2.435 1.00 . A A . 8 CYS N 1 1 6 3991 1 1 6 CYS O O 9.263 -4.084 -1.671 1.00 . A A . 8 CYS O 1 1 6 3992 1 1 6 CYS SG S 6.086 -0.899 -1.764 1.00 . A A . 8 CYS SG 1 1 6 3993 1 1 7 SER C C 12.262 -4.326 -0.573 1.00 . A A . 9 SER C 1 1 6 3994 1 1 7 SER CA C 11.910 -3.769 -1.956 1.00 . A A . 9 SER CA 1 1 6 3995 1 1 7 SER CB C 13.174 -3.245 -2.635 1.00 . A A . 9 SER CB 1 1 6 3996 1 1 7 SER H H 11.233 -1.733 -1.808 1.00 . A A . 9 SER H 1 1 6 3997 1 1 7 SER HA H 11.478 -4.555 -2.559 1.00 . A A . 9 SER HA 1 1 6 3998 1 1 7 SER HB2 H 13.073 -3.330 -3.704 1.00 . A A . 9 SER HB2 1 1 6 3999 1 1 7 SER HB3 H 13.318 -2.205 -2.371 1.00 . A A . 9 SER HB3 1 1 6 4000 1 1 7 SER HG H 15.076 -3.662 -2.640 1.00 . A A . 9 SER HG 1 1 6 4001 1 1 7 SER N N 10.926 -2.660 -1.808 1.00 . A A . 9 SER N 1 1 6 4002 1 1 7 SER O O 12.972 -5.303 -0.450 1.00 . A A . 9 SER O 1 1 6 4003 1 1 7 SER OG O 14.292 -4.014 -2.211 1.00 . A A . 9 SER OG 1 1 6 4004 1 1 8 GLU C C 10.909 -5.087 2.323 1.00 . A A . 10 GLU C 1 1 6 4005 1 1 8 GLU CA C 12.065 -4.206 1.843 1.00 . A A . 10 GLU CA 1 1 6 4006 1 1 8 GLU CB C 12.226 -3.014 2.788 1.00 . A A . 10 GLU CB 1 1 6 4007 1 1 8 GLU CD C 13.245 -0.745 3.039 1.00 . A A . 10 GLU CD 1 1 6 4008 1 1 8 GLU CG C 12.946 -1.878 2.056 1.00 . A A . 10 GLU CG 1 1 6 4009 1 1 8 GLU H H 11.191 -2.927 0.347 1.00 . A A . 10 GLU H 1 1 6 4010 1 1 8 GLU HA H 12.978 -4.783 1.829 1.00 . A A . 10 GLU HA 1 1 6 4011 1 1 8 GLU HB2 H 11.252 -2.676 3.109 1.00 . A A . 10 GLU HB2 1 1 6 4012 1 1 8 GLU HB3 H 12.808 -3.312 3.647 1.00 . A A . 10 GLU HB3 1 1 6 4013 1 1 8 GLU HG2 H 13.873 -2.248 1.640 1.00 . A A . 10 GLU HG2 1 1 6 4014 1 1 8 GLU HG3 H 12.317 -1.506 1.261 1.00 . A A . 10 GLU HG3 1 1 6 4015 1 1 8 GLU N N 11.766 -3.713 0.469 1.00 . A A . 10 GLU N 1 1 6 4016 1 1 8 GLU O O 10.795 -5.397 3.492 1.00 . A A . 10 GLU O 1 1 6 4017 1 1 8 GLU OE1 O 13.635 -1.044 4.155 1.00 . A A . 10 GLU OE1 1 1 6 4018 1 1 8 GLU OE2 O 13.078 0.401 2.658 1.00 . A A . 10 GLU OE2 1 1 6 4019 1 1 9 TYR C C 9.150 -7.777 1.330 1.00 . A A . 11 TYR C 1 1 6 4020 1 1 9 TYR CA C 8.897 -6.346 1.815 1.00 . A A . 11 TYR CA 1 1 6 4021 1 1 9 TYR CB C 7.629 -5.782 1.170 1.00 . A A . 11 TYR CB 1 1 6 4022 1 1 9 TYR CD1 C 7.834 -3.390 1.943 1.00 . A A . 11 TYR CD1 1 1 6 4023 1 1 9 TYR CD2 C 6.002 -4.736 2.790 1.00 . A A . 11 TYR CD2 1 1 6 4024 1 1 9 TYR CE1 C 7.386 -2.304 2.703 1.00 . A A . 11 TYR CE1 1 1 6 4025 1 1 9 TYR CE2 C 5.554 -3.648 3.551 1.00 . A A . 11 TYR CE2 1 1 6 4026 1 1 9 TYR CG C 7.141 -4.608 1.988 1.00 . A A . 11 TYR CG 1 1 6 4027 1 1 9 TYR CZ C 6.247 -2.432 3.506 1.00 . A A . 11 TYR CZ 1 1 6 4028 1 1 9 TYR H H 10.167 -5.224 0.489 1.00 . A A . 11 TYR H 1 1 6 4029 1 1 9 TYR HA H 8.790 -6.342 2.891 1.00 . A A . 11 TYR HA 1 1 6 4030 1 1 9 TYR HB2 H 7.855 -5.451 0.165 1.00 . A A . 11 TYR HB2 1 1 6 4031 1 1 9 TYR HB3 H 6.865 -6.541 1.135 1.00 . A A . 11 TYR HB3 1 1 6 4032 1 1 9 TYR HD1 H 8.713 -3.291 1.325 1.00 . A A . 11 TYR HD1 1 1 6 4033 1 1 9 TYR HD2 H 5.467 -5.674 2.824 1.00 . A A . 11 TYR HD2 1 1 6 4034 1 1 9 TYR HE1 H 7.921 -1.365 2.669 1.00 . A A . 11 TYR HE1 1 1 6 4035 1 1 9 TYR HE2 H 4.676 -3.745 4.173 1.00 . A A . 11 TYR HE2 1 1 6 4036 1 1 9 TYR HH H 6.045 -1.517 5.171 1.00 . A A . 11 TYR HH 1 1 6 4037 1 1 9 TYR N N 10.052 -5.489 1.425 1.00 . A A . 11 TYR N 1 1 6 4038 1 1 9 TYR O O 10.011 -8.000 0.501 1.00 . A A . 11 TYR O 1 1 6 4039 1 1 9 TYR OH O 5.808 -1.359 4.255 1.00 . A A . 11 TYR OH 1 1 6 4040 1 1 10 PRO C C 7.969 -8.175 4.252 1.00 . A A . 12 PRO C 1 1 6 4041 1 1 10 PRO CA C 7.358 -8.442 2.874 1.00 . A A . 12 PRO CA 1 1 6 4042 1 1 10 PRO CB C 6.538 -9.736 2.890 1.00 . A A . 12 PRO CB 1 1 6 4043 1 1 10 PRO CD C 8.551 -10.137 1.514 1.00 . A A . 12 PRO CD 1 1 6 4044 1 1 10 PRO CG C 7.464 -10.846 2.341 1.00 . A A . 12 PRO CG 1 1 6 4045 1 1 10 PRO HA H 6.734 -7.620 2.571 1.00 . A A . 12 PRO HA 1 1 6 4046 1 1 10 PRO HB2 H 6.231 -9.969 3.900 1.00 . A A . 12 PRO HB2 1 1 6 4047 1 1 10 PRO HB3 H 5.673 -9.637 2.252 1.00 . A A . 12 PRO HB3 1 1 6 4048 1 1 10 PRO HD2 H 9.533 -10.498 1.790 1.00 . A A . 12 PRO HD2 1 1 6 4049 1 1 10 PRO HD3 H 8.377 -10.279 0.459 1.00 . A A . 12 PRO HD3 1 1 6 4050 1 1 10 PRO HG2 H 7.913 -11.390 3.161 1.00 . A A . 12 PRO HG2 1 1 6 4051 1 1 10 PRO HG3 H 6.906 -11.519 1.710 1.00 . A A . 12 PRO HG3 1 1 6 4052 1 1 10 PRO N N 8.405 -8.710 1.867 1.00 . A A . 12 PRO N 1 1 6 4053 1 1 10 PRO O O 9.110 -8.501 4.514 1.00 . A A . 12 PRO O 1 1 6 4054 1 1 11 LYS C C 7.047 -8.237 7.502 1.00 . A A . 13 LYS C 1 1 6 4055 1 1 11 LYS CA C 7.728 -7.298 6.501 1.00 . A A . 13 LYS CA 1 1 6 4056 1 1 11 LYS CB C 7.416 -5.844 6.871 1.00 . A A . 13 LYS CB 1 1 6 4057 1 1 11 LYS CD C 9.026 -4.642 5.377 1.00 . A A . 13 LYS CD 1 1 6 4058 1 1 11 LYS CE C 9.464 -3.462 6.247 1.00 . A A . 13 LYS CE 1 1 6 4059 1 1 11 LYS CG C 7.549 -4.948 5.634 1.00 . A A . 13 LYS CG 1 1 6 4060 1 1 11 LYS H H 6.291 -7.337 4.900 1.00 . A A . 13 LYS H 1 1 6 4061 1 1 11 LYS HA H 8.795 -7.456 6.523 1.00 . A A . 13 LYS HA 1 1 6 4062 1 1 11 LYS HB2 H 6.408 -5.779 7.254 1.00 . A A . 13 LYS HB2 1 1 6 4063 1 1 11 LYS HB3 H 8.109 -5.509 7.629 1.00 . A A . 13 LYS HB3 1 1 6 4064 1 1 11 LYS HD2 H 9.621 -5.510 5.619 1.00 . A A . 13 LYS HD2 1 1 6 4065 1 1 11 LYS HD3 H 9.164 -4.390 4.337 1.00 . A A . 13 LYS HD3 1 1 6 4066 1 1 11 LYS HE2 H 9.306 -2.540 5.706 1.00 . A A . 13 LYS HE2 1 1 6 4067 1 1 11 LYS HE3 H 8.882 -3.449 7.157 1.00 . A A . 13 LYS HE3 1 1 6 4068 1 1 11 LYS HG2 H 7.130 -5.451 4.777 1.00 . A A . 13 LYS HG2 1 1 6 4069 1 1 11 LYS HG3 H 7.018 -4.024 5.803 1.00 . A A . 13 LYS HG3 1 1 6 4070 1 1 11 LYS HZ1 H 11.290 -2.668 6.862 1.00 . A A . 13 LYS HZ1 1 1 6 4071 1 1 11 LYS HZ2 H 11.428 -3.950 5.755 1.00 . A A . 13 LYS HZ2 1 1 6 4072 1 1 11 LYS HZ3 H 11.021 -4.263 7.374 1.00 . A A . 13 LYS HZ3 1 1 6 4073 1 1 11 LYS N N 7.208 -7.587 5.136 1.00 . A A . 13 LYS N 1 1 6 4074 1 1 11 LYS NZ N 10.910 -3.596 6.585 1.00 . A A . 13 LYS NZ 1 1 6 4075 1 1 11 LYS O O 6.040 -8.842 7.193 1.00 . A A . 13 LYS O 1 1 6 4076 1 1 12 PRO C C 5.915 -8.520 10.466 1.00 . A A . 14 PRO C 1 1 6 4077 1 1 12 PRO CA C 7.096 -9.190 9.752 1.00 . A A . 14 PRO CA 1 1 6 4078 1 1 12 PRO CB C 8.286 -9.339 10.703 1.00 . A A . 14 PRO CB 1 1 6 4079 1 1 12 PRO CD C 8.849 -7.592 9.037 1.00 . A A . 14 PRO CD 1 1 6 4080 1 1 12 PRO CG C 9.214 -8.130 10.434 1.00 . A A . 14 PRO CG 1 1 6 4081 1 1 12 PRO HA H 6.811 -10.155 9.367 1.00 . A A . 14 PRO HA 1 1 6 4082 1 1 12 PRO HB2 H 7.944 -9.328 11.728 1.00 . A A . 14 PRO HB2 1 1 6 4083 1 1 12 PRO HB3 H 8.816 -10.256 10.495 1.00 . A A . 14 PRO HB3 1 1 6 4084 1 1 12 PRO HD2 H 8.657 -6.530 9.082 1.00 . A A . 14 PRO HD2 1 1 6 4085 1 1 12 PRO HD3 H 9.635 -7.808 8.330 1.00 . A A . 14 PRO HD3 1 1 6 4086 1 1 12 PRO HG2 H 9.052 -7.367 11.182 1.00 . A A . 14 PRO HG2 1 1 6 4087 1 1 12 PRO HG3 H 10.247 -8.446 10.443 1.00 . A A . 14 PRO HG3 1 1 6 4088 1 1 12 PRO N N 7.621 -8.331 8.675 1.00 . A A . 14 PRO N 1 1 6 4089 1 1 12 PRO O O 5.484 -8.961 11.512 1.00 . A A . 14 PRO O 1 1 6 4090 1 1 13 ALA C C 3.981 -5.431 9.899 1.00 . A A . 15 ALA C 1 1 6 4091 1 1 13 ALA CA C 4.234 -6.780 10.572 1.00 . A A . 15 ALA CA 1 1 6 4092 1 1 13 ALA CB C 4.553 -6.559 12.052 1.00 . A A . 15 ALA CB 1 1 6 4093 1 1 13 ALA H H 5.741 -7.116 9.070 1.00 . A A . 15 ALA H 1 1 6 4094 1 1 13 ALA HA H 3.353 -7.398 10.482 1.00 . A A . 15 ALA HA 1 1 6 4095 1 1 13 ALA HB1 H 4.354 -7.466 12.602 1.00 . A A . 15 ALA HB1 1 1 6 4096 1 1 13 ALA HB2 H 3.933 -5.762 12.437 1.00 . A A . 15 ALA HB2 1 1 6 4097 1 1 13 ALA HB3 H 5.592 -6.291 12.160 1.00 . A A . 15 ALA HB3 1 1 6 4098 1 1 13 ALA N N 5.385 -7.462 9.913 1.00 . A A . 15 ALA N 1 1 6 4099 1 1 13 ALA O O 4.559 -5.116 8.876 1.00 . A A . 15 ALA O 1 1 6 4100 1 1 14 CYS C C 2.846 -2.224 10.948 1.00 . A A . 16 CYS C 1 1 6 4101 1 1 14 CYS CA C 2.827 -3.299 9.858 1.00 . A A . 16 CYS CA 1 1 6 4102 1 1 14 CYS CB C 1.446 -3.326 9.199 1.00 . A A . 16 CYS CB 1 1 6 4103 1 1 14 CYS H H 2.665 -4.903 11.288 1.00 . A A . 16 CYS H 1 1 6 4104 1 1 14 CYS HA H 3.577 -3.069 9.117 1.00 . A A . 16 CYS HA 1 1 6 4105 1 1 14 CYS HB2 H 0.741 -3.811 9.858 1.00 . A A . 16 CYS HB2 1 1 6 4106 1 1 14 CYS HB3 H 1.119 -2.315 9.005 1.00 . A A . 16 CYS HB3 1 1 6 4107 1 1 14 CYS N N 3.119 -4.629 10.465 1.00 . A A . 16 CYS N 1 1 6 4108 1 1 14 CYS O O 2.651 -2.502 12.113 1.00 . A A . 16 CYS O 1 1 6 4109 1 1 14 CYS SG S 1.534 -4.238 7.637 1.00 . A A . 16 CYS SG 1 1 6 4110 1 1 15 THR C C 1.669 0.491 11.943 1.00 . A A . 17 THR C 1 1 6 4111 1 1 15 THR CA C 3.103 0.100 11.584 1.00 . A A . 17 THR CA 1 1 6 4112 1 1 15 THR CB C 3.831 1.315 11.003 1.00 . A A . 17 THR CB 1 1 6 4113 1 1 15 THR CG2 C 5.275 1.339 11.509 1.00 . A A . 17 THR CG2 1 1 6 4114 1 1 15 THR H H 3.228 -0.791 9.627 1.00 . A A . 17 THR H 1 1 6 4115 1 1 15 THR HA H 3.617 -0.238 12.471 1.00 . A A . 17 THR HA 1 1 6 4116 1 1 15 THR HB H 3.331 2.219 11.316 1.00 . A A . 17 THR HB 1 1 6 4117 1 1 15 THR HG1 H 3.936 2.122 9.238 1.00 . A A . 17 THR HG1 1 1 6 4118 1 1 15 THR HG21 H 5.683 2.331 11.384 1.00 . A A . 17 THR HG21 1 1 6 4119 1 1 15 THR HG22 H 5.866 0.632 10.945 1.00 . A A . 17 THR HG22 1 1 6 4120 1 1 15 THR HG23 H 5.295 1.071 12.554 1.00 . A A . 17 THR HG23 1 1 6 4121 1 1 15 THR N N 3.077 -0.994 10.574 1.00 . A A . 17 THR N 1 1 6 4122 1 1 15 THR O O 0.728 0.111 11.276 1.00 . A A . 17 THR O 1 1 6 4123 1 1 15 THR OG1 O 3.824 1.233 9.586 1.00 . A A . 17 THR OG1 1 1 6 4124 1 1 16 MET C C -0.187 3.037 12.784 1.00 . A A . 18 MET C 1 1 6 4125 1 1 16 MET CA C 0.117 1.664 13.382 1.00 . A A . 18 MET CA 1 1 6 4126 1 1 16 MET CB C 0.021 1.739 14.906 1.00 . A A . 18 MET CB 1 1 6 4127 1 1 16 MET CE C 1.664 -0.653 17.691 1.00 . A A . 18 MET CE 1 1 6 4128 1 1 16 MET CG C 0.436 0.396 15.511 1.00 . A A . 18 MET CG 1 1 6 4129 1 1 16 MET H H 2.265 1.550 13.514 1.00 . A A . 18 MET H 1 1 6 4130 1 1 16 MET HA H -0.595 0.942 13.012 1.00 . A A . 18 MET HA 1 1 6 4131 1 1 16 MET HB2 H 0.679 2.516 15.270 1.00 . A A . 18 MET HB2 1 1 6 4132 1 1 16 MET HB3 H -0.995 1.961 15.193 1.00 . A A . 18 MET HB3 1 1 6 4133 1 1 16 MET HE1 H 1.748 -1.638 17.252 1.00 . A A . 18 MET HE1 1 1 6 4134 1 1 16 MET HE2 H 0.670 -0.520 18.084 1.00 . A A . 18 MET HE2 1 1 6 4135 1 1 16 MET HE3 H 2.384 -0.546 18.490 1.00 . A A . 18 MET HE3 1 1 6 4136 1 1 16 MET HG2 H -0.334 0.052 16.184 1.00 . A A . 18 MET HG2 1 1 6 4137 1 1 16 MET HG3 H 0.574 -0.327 14.721 1.00 . A A . 18 MET HG3 1 1 6 4138 1 1 16 MET N N 1.493 1.251 12.988 1.00 . A A . 18 MET N 1 1 6 4139 1 1 16 MET O O -1.092 3.726 13.210 1.00 . A A . 18 MET O 1 1 6 4140 1 1 16 MET SD S 1.986 0.598 16.424 1.00 . A A . 18 MET SD 1 1 6 4141 1 1 17 GLU C C -0.973 4.711 10.355 1.00 . A A . 19 GLU C 1 1 6 4142 1 1 17 GLU CA C 0.321 4.769 11.167 1.00 . A A . 19 GLU CA 1 1 6 4143 1 1 17 GLU CB C 1.491 5.120 10.244 1.00 . A A . 19 GLU CB 1 1 6 4144 1 1 17 GLU CD C 2.346 7.133 9.033 1.00 . A A . 19 GLU CD 1 1 6 4145 1 1 17 GLU CG C 1.102 6.298 9.349 1.00 . A A . 19 GLU CG 1 1 6 4146 1 1 17 GLU H H 1.291 2.868 11.466 1.00 . A A . 19 GLU H 1 1 6 4147 1 1 17 GLU HA H 0.230 5.521 11.937 1.00 . A A . 19 GLU HA 1 1 6 4148 1 1 17 GLU HB2 H 2.351 5.386 10.841 1.00 . A A . 19 GLU HB2 1 1 6 4149 1 1 17 GLU HB3 H 1.730 4.266 9.627 1.00 . A A . 19 GLU HB3 1 1 6 4150 1 1 17 GLU HG2 H 0.674 5.925 8.430 1.00 . A A . 19 GLU HG2 1 1 6 4151 1 1 17 GLU HG3 H 0.378 6.914 9.861 1.00 . A A . 19 GLU HG3 1 1 6 4152 1 1 17 GLU N N 0.565 3.441 11.796 1.00 . A A . 19 GLU N 1 1 6 4153 1 1 17 GLU O O -1.265 3.723 9.708 1.00 . A A . 19 GLU O 1 1 6 4154 1 1 17 GLU OE1 O 3.421 6.560 8.968 1.00 . A A . 19 GLU OE1 1 1 6 4155 1 1 17 GLU OE2 O 2.201 8.333 8.860 1.00 . A A . 19 GLU OE2 1 1 6 4156 1 1 18 TYR C C -2.766 6.286 8.195 1.00 . A A . 20 TYR C 1 1 6 4157 1 1 18 TYR CA C -3.021 5.752 9.602 1.00 . A A . 20 TYR CA 1 1 6 4158 1 1 18 TYR CB C -4.054 6.638 10.295 1.00 . A A . 20 TYR CB 1 1 6 4159 1 1 18 TYR CD1 C -5.876 5.877 8.729 1.00 . A A . 20 TYR CD1 1 1 6 4160 1 1 18 TYR CD2 C -6.277 5.781 11.119 1.00 . A A . 20 TYR CD2 1 1 6 4161 1 1 18 TYR CE1 C -7.156 5.364 8.493 1.00 . A A . 20 TYR CE1 1 1 6 4162 1 1 18 TYR CE2 C -7.559 5.267 10.883 1.00 . A A . 20 TYR CE2 1 1 6 4163 1 1 18 TYR CG C -5.436 6.086 10.042 1.00 . A A . 20 TYR CG 1 1 6 4164 1 1 18 TYR CZ C -7.997 5.060 9.570 1.00 . A A . 20 TYR CZ 1 1 6 4165 1 1 18 TYR H H -1.498 6.545 10.905 1.00 . A A . 20 TYR H 1 1 6 4166 1 1 18 TYR HA H -3.400 4.742 9.541 1.00 . A A . 20 TYR HA 1 1 6 4167 1 1 18 TYR HB2 H -3.858 6.657 11.355 1.00 . A A . 20 TYR HB2 1 1 6 4168 1 1 18 TYR HB3 H -3.989 7.636 9.895 1.00 . A A . 20 TYR HB3 1 1 6 4169 1 1 18 TYR HD1 H -5.227 6.112 7.898 1.00 . A A . 20 TYR HD1 1 1 6 4170 1 1 18 TYR HD2 H -5.937 5.942 12.132 1.00 . A A . 20 TYR HD2 1 1 6 4171 1 1 18 TYR HE1 H -7.495 5.202 7.480 1.00 . A A . 20 TYR HE1 1 1 6 4172 1 1 18 TYR HE2 H -8.207 5.033 11.714 1.00 . A A . 20 TYR HE2 1 1 6 4173 1 1 18 TYR HH H -9.274 4.187 8.450 1.00 . A A . 20 TYR HH 1 1 6 4174 1 1 18 TYR N N -1.750 5.758 10.379 1.00 . A A . 20 TYR N 1 1 6 4175 1 1 18 TYR O O -2.426 7.437 8.006 1.00 . A A . 20 TYR O 1 1 6 4176 1 1 18 TYR OH O -9.260 4.553 9.337 1.00 . A A . 20 TYR OH 1 1 6 4177 1 1 19 ARG C C -3.659 5.157 4.869 1.00 . A A . 21 ARG C 1 1 6 4178 1 1 19 ARG CA C -2.703 5.903 5.809 1.00 . A A . 21 ARG CA 1 1 6 4179 1 1 19 ARG CB C -1.258 5.598 5.408 1.00 . A A . 21 ARG CB 1 1 6 4180 1 1 19 ARG CD C -0.414 7.617 4.201 1.00 . A A . 21 ARG CD 1 1 6 4181 1 1 19 ARG CG C -0.414 6.869 5.535 1.00 . A A . 21 ARG CG 1 1 6 4182 1 1 19 ARG CZ C 1.902 6.980 3.890 1.00 . A A . 21 ARG CZ 1 1 6 4183 1 1 19 ARG H H -3.205 4.535 7.392 1.00 . A A . 21 ARG H 1 1 6 4184 1 1 19 ARG HA H -2.879 6.965 5.736 1.00 . A A . 21 ARG HA 1 1 6 4185 1 1 19 ARG HB2 H -0.858 4.833 6.059 1.00 . A A . 21 ARG HB2 1 1 6 4186 1 1 19 ARG HB3 H -1.233 5.253 4.386 1.00 . A A . 21 ARG HB3 1 1 6 4187 1 1 19 ARG HD2 H -1.346 7.439 3.688 1.00 . A A . 21 ARG HD2 1 1 6 4188 1 1 19 ARG HD3 H -0.300 8.676 4.383 1.00 . A A . 21 ARG HD3 1 1 6 4189 1 1 19 ARG HE H 0.574 6.926 2.415 1.00 . A A . 21 ARG HE 1 1 6 4190 1 1 19 ARG HG2 H -0.832 7.501 6.305 1.00 . A A . 21 ARG HG2 1 1 6 4191 1 1 19 ARG HG3 H 0.598 6.604 5.798 1.00 . A A . 21 ARG HG3 1 1 6 4192 1 1 19 ARG HH11 H 2.260 8.945 4.035 1.00 . A A . 21 ARG HH11 1 1 6 4193 1 1 19 ARG HH12 H 3.525 7.908 4.604 1.00 . A A . 21 ARG HH12 1 1 6 4194 1 1 19 ARG HH21 H 1.820 4.979 3.877 1.00 . A A . 21 ARG HH21 1 1 6 4195 1 1 19 ARG HH22 H 3.274 5.666 4.520 1.00 . A A . 21 ARG HH22 1 1 6 4196 1 1 19 ARG N N -2.931 5.455 7.209 1.00 . A A . 21 ARG N 1 1 6 4197 1 1 19 ARG NE N 0.717 7.132 3.362 1.00 . A A . 21 ARG NE 1 1 6 4198 1 1 19 ARG NH1 N 2.618 8.026 4.201 1.00 . A A . 21 ARG NH1 1 1 6 4199 1 1 19 ARG NH2 N 2.368 5.781 4.113 1.00 . A A . 21 ARG NH2 1 1 6 4200 1 1 19 ARG O O -3.406 4.028 4.500 1.00 . A A . 21 ARG O 1 1 6 4201 1 1 20 PRO C C -5.219 5.258 2.157 1.00 . A A . 22 PRO C 1 1 6 4202 1 1 20 PRO CA C -5.737 5.232 3.596 1.00 . A A . 22 PRO CA 1 1 6 4203 1 1 20 PRO CB C -6.950 6.151 3.769 1.00 . A A . 22 PRO CB 1 1 6 4204 1 1 20 PRO CD C -5.037 7.188 4.947 1.00 . A A . 22 PRO CD 1 1 6 4205 1 1 20 PRO CG C -6.407 7.493 4.312 1.00 . A A . 22 PRO CG 1 1 6 4206 1 1 20 PRO HA H -5.986 4.228 3.898 1.00 . A A . 22 PRO HA 1 1 6 4207 1 1 20 PRO HB2 H -7.438 6.299 2.815 1.00 . A A . 22 PRO HB2 1 1 6 4208 1 1 20 PRO HB3 H -7.641 5.725 4.480 1.00 . A A . 22 PRO HB3 1 1 6 4209 1 1 20 PRO HD2 H -4.290 7.882 4.585 1.00 . A A . 22 PRO HD2 1 1 6 4210 1 1 20 PRO HD3 H -5.102 7.226 6.023 1.00 . A A . 22 PRO HD3 1 1 6 4211 1 1 20 PRO HG2 H -6.293 8.200 3.499 1.00 . A A . 22 PRO HG2 1 1 6 4212 1 1 20 PRO HG3 H -7.075 7.889 5.058 1.00 . A A . 22 PRO HG3 1 1 6 4213 1 1 20 PRO N N -4.731 5.813 4.502 1.00 . A A . 22 PRO N 1 1 6 4214 1 1 20 PRO O O -5.187 6.289 1.514 1.00 . A A . 22 PRO O 1 1 6 4215 1 1 21 LEU C C -5.222 3.284 -0.630 1.00 . A A . 23 LEU C 1 1 6 4216 1 1 21 LEU CA C -4.275 4.093 0.256 1.00 . A A . 23 LEU CA 1 1 6 4217 1 1 21 LEU CB C -2.888 3.443 0.264 1.00 . A A . 23 LEU CB 1 1 6 4218 1 1 21 LEU CD1 C -0.517 3.710 1.010 1.00 . A A . 23 LEU CD1 1 1 6 4219 1 1 21 LEU CD2 C -1.849 5.713 0.337 1.00 . A A . 23 LEU CD2 1 1 6 4220 1 1 21 LEU CG C -1.909 4.344 1.018 1.00 . A A . 23 LEU CG 1 1 6 4221 1 1 21 LEU H H -4.828 3.312 2.186 1.00 . A A . 23 LEU H 1 1 6 4222 1 1 21 LEU HA H -4.196 5.101 -0.128 1.00 . A A . 23 LEU HA 1 1 6 4223 1 1 21 LEU HB2 H -2.945 2.483 0.756 1.00 . A A . 23 LEU HB2 1 1 6 4224 1 1 21 LEU HB3 H -2.546 3.308 -0.751 1.00 . A A . 23 LEU HB3 1 1 6 4225 1 1 21 LEU HD11 H -0.590 2.680 1.329 1.00 . A A . 23 LEU HD11 1 1 6 4226 1 1 21 LEU HD12 H 0.128 4.251 1.685 1.00 . A A . 23 LEU HD12 1 1 6 4227 1 1 21 LEU HD13 H -0.109 3.747 0.012 1.00 . A A . 23 LEU HD13 1 1 6 4228 1 1 21 LEU HD21 H -2.072 5.602 -0.714 1.00 . A A . 23 LEU HD21 1 1 6 4229 1 1 21 LEU HD22 H -0.860 6.130 0.452 1.00 . A A . 23 LEU HD22 1 1 6 4230 1 1 21 LEU HD23 H -2.573 6.373 0.791 1.00 . A A . 23 LEU HD23 1 1 6 4231 1 1 21 LEU HG H -2.244 4.462 2.039 1.00 . A A . 23 LEU HG 1 1 6 4232 1 1 21 LEU N N -4.802 4.132 1.648 1.00 . A A . 23 LEU N 1 1 6 4233 1 1 21 LEU O O -5.456 2.115 -0.399 1.00 . A A . 23 LEU O 1 1 6 4234 1 1 22 CYS C C -5.901 2.484 -3.662 1.00 . A A . 24 CYS C 1 1 6 4235 1 1 22 CYS CA C -6.698 3.149 -2.545 1.00 . A A . 24 CYS CA 1 1 6 4236 1 1 22 CYS CB C -7.699 4.120 -3.166 1.00 . A A . 24 CYS CB 1 1 6 4237 1 1 22 CYS H H -5.565 4.837 -1.825 1.00 . A A . 24 CYS H 1 1 6 4238 1 1 22 CYS HA H -7.226 2.398 -1.978 1.00 . A A . 24 CYS HA 1 1 6 4239 1 1 22 CYS HB2 H -8.076 4.787 -2.406 1.00 . A A . 24 CYS HB2 1 1 6 4240 1 1 22 CYS HB3 H -7.207 4.696 -3.938 1.00 . A A . 24 CYS HB3 1 1 6 4241 1 1 22 CYS N N -5.767 3.893 -1.649 1.00 . A A . 24 CYS N 1 1 6 4242 1 1 22 CYS O O -5.619 3.095 -4.669 1.00 . A A . 24 CYS O 1 1 6 4243 1 1 22 CYS SG S -9.069 3.186 -3.891 1.00 . A A . 24 CYS SG 1 1 6 4244 1 1 23 GLY C C -5.506 0.656 -5.897 1.00 . A A . 25 GLY C 1 1 6 4245 1 1 23 GLY CA C -4.758 0.554 -4.569 1.00 . A A . 25 GLY CA 1 1 6 4246 1 1 23 GLY H H -5.784 0.757 -2.681 1.00 . A A . 25 GLY H 1 1 6 4247 1 1 23 GLY HA2 H -3.788 1.022 -4.661 1.00 . A A . 25 GLY HA2 1 1 6 4248 1 1 23 GLY HA3 H -4.631 -0.486 -4.311 1.00 . A A . 25 GLY HA3 1 1 6 4249 1 1 23 GLY N N -5.539 1.240 -3.501 1.00 . A A . 25 GLY N 1 1 6 4250 1 1 23 GLY O O -6.716 0.750 -5.927 1.00 . A A . 25 GLY O 1 1 6 4251 1 1 24 SER C C -6.586 -0.303 -8.438 1.00 . A A . 26 SER C 1 1 6 4252 1 1 24 SER CA C -5.462 0.730 -8.331 1.00 . A A . 26 SER CA 1 1 6 4253 1 1 24 SER CB C -4.437 0.470 -9.433 1.00 . A A . 26 SER CB 1 1 6 4254 1 1 24 SER H H -3.810 0.557 -6.946 1.00 . A A . 26 SER H 1 1 6 4255 1 1 24 SER HA H -5.873 1.721 -8.454 1.00 . A A . 26 SER HA 1 1 6 4256 1 1 24 SER HB2 H -3.458 0.378 -9.000 1.00 . A A . 26 SER HB2 1 1 6 4257 1 1 24 SER HB3 H -4.690 -0.449 -9.946 1.00 . A A . 26 SER HB3 1 1 6 4258 1 1 24 SER HG H -5.108 1.371 -11.023 1.00 . A A . 26 SER HG 1 1 6 4259 1 1 24 SER N N -4.792 0.635 -6.998 1.00 . A A . 26 SER N 1 1 6 4260 1 1 24 SER O O -7.438 -0.213 -9.301 1.00 . A A . 26 SER O 1 1 6 4261 1 1 24 SER OG O -4.447 1.557 -10.349 1.00 . A A . 26 SER OG 1 1 6 4262 1 1 25 ASP C C -8.964 -1.785 -7.001 1.00 . A A . 27 ASP C 1 1 6 4263 1 1 25 ASP CA C -7.678 -2.317 -7.647 1.00 . A A . 27 ASP CA 1 1 6 4264 1 1 25 ASP CB C -7.224 -3.577 -6.906 1.00 . A A . 27 ASP CB 1 1 6 4265 1 1 25 ASP CG C -7.258 -3.327 -5.395 1.00 . A A . 27 ASP CG 1 1 6 4266 1 1 25 ASP H H -5.908 -1.351 -6.894 1.00 . A A . 27 ASP H 1 1 6 4267 1 1 25 ASP HA H -7.872 -2.563 -8.681 1.00 . A A . 27 ASP HA 1 1 6 4268 1 1 25 ASP HB2 H -7.883 -4.395 -7.151 1.00 . A A . 27 ASP HB2 1 1 6 4269 1 1 25 ASP HB3 H -6.215 -3.824 -7.204 1.00 . A A . 27 ASP HB3 1 1 6 4270 1 1 25 ASP N N -6.603 -1.287 -7.580 1.00 . A A . 27 ASP N 1 1 6 4271 1 1 25 ASP O O -9.867 -2.536 -6.687 1.00 . A A . 27 ASP O 1 1 6 4272 1 1 25 ASP OD1 O -6.815 -2.270 -4.979 1.00 . A A . 27 ASP OD1 1 1 6 4273 1 1 25 ASP OD2 O -7.728 -4.199 -4.683 1.00 . A A . 27 ASP OD2 1 1 6 4274 1 1 26 ASN C C -10.434 -0.469 -4.759 1.00 . A A . 28 ASN C 1 1 6 4275 1 1 26 ASN CA C -10.284 0.075 -6.180 1.00 . A A . 28 ASN CA 1 1 6 4276 1 1 26 ASN CB C -11.509 -0.318 -7.010 1.00 . A A . 28 ASN CB 1 1 6 4277 1 1 26 ASN CG C -12.420 0.898 -7.183 1.00 . A A . 28 ASN CG 1 1 6 4278 1 1 26 ASN H H -8.327 0.093 -7.058 1.00 . A A . 28 ASN H 1 1 6 4279 1 1 26 ASN HA H -10.202 1.151 -6.146 1.00 . A A . 28 ASN HA 1 1 6 4280 1 1 26 ASN HB2 H -11.188 -0.669 -7.981 1.00 . A A . 28 ASN HB2 1 1 6 4281 1 1 26 ASN HB3 H -12.050 -1.103 -6.504 1.00 . A A . 28 ASN HB3 1 1 6 4282 1 1 26 ASN HD21 H -11.993 1.651 -5.396 1.00 . A A . 28 ASN HD21 1 1 6 4283 1 1 26 ASN HD22 H -13.091 2.556 -6.321 1.00 . A A . 28 ASN HD22 1 1 6 4284 1 1 26 ASN N N -9.059 -0.496 -6.801 1.00 . A A . 28 ASN N 1 1 6 4285 1 1 26 ASN ND2 N -12.509 1.774 -6.221 1.00 . A A . 28 ASN ND2 1 1 6 4286 1 1 26 ASN O O -11.521 -0.785 -4.319 1.00 . A A . 28 ASN O 1 1 6 4287 1 1 26 ASN OD1 O -13.059 1.053 -8.205 1.00 . A A . 28 ASN OD1 1 1 6 4288 1 1 27 LYS C C -8.736 -0.178 -1.672 1.00 . A A . 29 LYS C 1 1 6 4289 1 1 27 LYS CA C -9.451 -1.113 -2.646 1.00 . A A . 29 LYS CA 1 1 6 4290 1 1 27 LYS CB C -8.817 -2.503 -2.580 1.00 . A A . 29 LYS CB 1 1 6 4291 1 1 27 LYS CD C -9.604 -4.451 -1.222 1.00 . A A . 29 LYS CD 1 1 6 4292 1 1 27 LYS CE C -9.026 -5.331 -0.111 1.00 . A A . 29 LYS CE 1 1 6 4293 1 1 27 LYS CG C -8.959 -3.063 -1.163 1.00 . A A . 29 LYS CG 1 1 6 4294 1 1 27 LYS H H -8.480 -0.324 -4.407 1.00 . A A . 29 LYS H 1 1 6 4295 1 1 27 LYS HA H -10.488 -1.182 -2.367 1.00 . A A . 29 LYS HA 1 1 6 4296 1 1 27 LYS HB2 H -9.315 -3.158 -3.281 1.00 . A A . 29 LYS HB2 1 1 6 4297 1 1 27 LYS HB3 H -7.769 -2.434 -2.833 1.00 . A A . 29 LYS HB3 1 1 6 4298 1 1 27 LYS HD2 H -10.672 -4.357 -1.090 1.00 . A A . 29 LYS HD2 1 1 6 4299 1 1 27 LYS HD3 H -9.397 -4.902 -2.181 1.00 . A A . 29 LYS HD3 1 1 6 4300 1 1 27 LYS HE2 H -7.982 -5.521 -0.310 1.00 . A A . 29 LYS HE2 1 1 6 4301 1 1 27 LYS HE3 H -9.126 -4.825 0.838 1.00 . A A . 29 LYS HE3 1 1 6 4302 1 1 27 LYS HG2 H -7.983 -3.137 -0.706 1.00 . A A . 29 LYS HG2 1 1 6 4303 1 1 27 LYS HG3 H -9.583 -2.405 -0.576 1.00 . A A . 29 LYS HG3 1 1 6 4304 1 1 27 LYS HZ1 H -9.403 -7.203 0.722 1.00 . A A . 29 LYS HZ1 1 1 6 4305 1 1 27 LYS HZ2 H -9.628 -7.135 -0.961 1.00 . A A . 29 LYS HZ2 1 1 6 4306 1 1 27 LYS HZ3 H -10.777 -6.443 0.080 1.00 . A A . 29 LYS HZ3 1 1 6 4307 1 1 27 LYS N N -9.352 -0.583 -4.035 1.00 . A A . 29 LYS N 1 1 6 4308 1 1 27 LYS NZ N -9.764 -6.626 -0.065 1.00 . A A . 29 LYS NZ 1 1 6 4309 1 1 27 LYS O O -7.689 0.358 -1.965 1.00 . A A . 29 LYS O 1 1 6 4310 1 1 28 THR C C -7.610 0.116 1.288 1.00 . A A . 30 THR C 1 1 6 4311 1 1 28 THR CA C -8.647 0.913 0.492 1.00 . A A . 30 THR CA 1 1 6 4312 1 1 28 THR CB C -9.709 1.470 1.443 1.00 . A A . 30 THR CB 1 1 6 4313 1 1 28 THR CG2 C -9.038 2.345 2.502 1.00 . A A . 30 THR CG2 1 1 6 4314 1 1 28 THR H H -10.140 -0.430 -0.289 1.00 . A A . 30 THR H 1 1 6 4315 1 1 28 THR HA H -8.159 1.729 -0.021 1.00 . A A . 30 THR HA 1 1 6 4316 1 1 28 THR HB H -10.222 0.654 1.929 1.00 . A A . 30 THR HB 1 1 6 4317 1 1 28 THR HG1 H -10.885 1.755 -0.082 1.00 . A A . 30 THR HG1 1 1 6 4318 1 1 28 THR HG21 H -8.003 2.052 2.608 1.00 . A A . 30 THR HG21 1 1 6 4319 1 1 28 THR HG22 H -9.546 2.221 3.446 1.00 . A A . 30 THR HG22 1 1 6 4320 1 1 28 THR HG23 H -9.089 3.381 2.197 1.00 . A A . 30 THR HG23 1 1 6 4321 1 1 28 THR N N -9.295 0.016 -0.507 1.00 . A A . 30 THR N 1 1 6 4322 1 1 28 THR O O -7.791 -1.051 1.570 1.00 . A A . 30 THR O 1 1 6 4323 1 1 28 THR OG1 O -10.643 2.247 0.706 1.00 . A A . 30 THR OG1 1 1 6 4324 1 1 29 TYR C C -5.291 0.676 3.771 1.00 . A A . 31 TYR C 1 1 6 4325 1 1 29 TYR CA C -5.467 0.025 2.404 1.00 . A A . 31 TYR CA 1 1 6 4326 1 1 29 TYR CB C -4.168 0.106 1.619 1.00 . A A . 31 TYR CB 1 1 6 4327 1 1 29 TYR CD1 C -5.278 -1.596 0.117 1.00 . A A . 31 TYR CD1 1 1 6 4328 1 1 29 TYR CD2 C -3.593 -0.129 -0.820 1.00 . A A . 31 TYR CD2 1 1 6 4329 1 1 29 TYR CE1 C -5.442 -2.205 -1.132 1.00 . A A . 31 TYR CE1 1 1 6 4330 1 1 29 TYR CE2 C -3.757 -0.739 -2.070 1.00 . A A . 31 TYR CE2 1 1 6 4331 1 1 29 TYR CG C -4.351 -0.556 0.273 1.00 . A A . 31 TYR CG 1 1 6 4332 1 1 29 TYR CZ C -4.683 -1.778 -2.225 1.00 . A A . 31 TYR CZ 1 1 6 4333 1 1 29 TYR H H -6.383 1.669 1.401 1.00 . A A . 31 TYR H 1 1 6 4334 1 1 29 TYR HA H -5.741 -1.007 2.538 1.00 . A A . 31 TYR HA 1 1 6 4335 1 1 29 TYR HB2 H -3.901 1.141 1.479 1.00 . A A . 31 TYR HB2 1 1 6 4336 1 1 29 TYR HB3 H -3.394 -0.392 2.163 1.00 . A A . 31 TYR HB3 1 1 6 4337 1 1 29 TYR HD1 H -5.864 -1.928 0.958 1.00 . A A . 31 TYR HD1 1 1 6 4338 1 1 29 TYR HD2 H -2.879 0.675 -0.702 1.00 . A A . 31 TYR HD2 1 1 6 4339 1 1 29 TYR HE1 H -6.156 -3.003 -1.254 1.00 . A A . 31 TYR HE1 1 1 6 4340 1 1 29 TYR HE2 H -3.171 -0.406 -2.914 1.00 . A A . 31 TYR HE2 1 1 6 4341 1 1 29 TYR HH H -4.020 -2.294 -3.939 1.00 . A A . 31 TYR HH 1 1 6 4342 1 1 29 TYR N N -6.518 0.736 1.643 1.00 . A A . 31 TYR N 1 1 6 4343 1 1 29 TYR O O -5.709 1.794 4.002 1.00 . A A . 31 TYR O 1 1 6 4344 1 1 29 TYR OH O -4.846 -2.381 -3.454 1.00 . A A . 31 TYR OH 1 1 6 4345 1 1 30 GLY C C -3.282 1.499 6.019 1.00 . A A . 32 GLY C 1 1 6 4346 1 1 30 GLY CA C -4.466 0.536 6.039 1.00 . A A . 32 GLY CA 1 1 6 4347 1 1 30 GLY H H -4.347 -0.920 4.461 1.00 . A A . 32 GLY H 1 1 6 4348 1 1 30 GLY HA2 H -5.356 1.062 6.352 1.00 . A A . 32 GLY HA2 1 1 6 4349 1 1 30 GLY HA3 H -4.260 -0.267 6.732 1.00 . A A . 32 GLY HA3 1 1 6 4350 1 1 30 GLY N N -4.674 -0.023 4.678 1.00 . A A . 32 GLY N 1 1 6 4351 1 1 30 GLY O O -3.204 2.409 6.819 1.00 . A A . 32 GLY O 1 1 6 4352 1 1 31 ASN C C -0.172 1.707 4.016 1.00 . A A . 33 ASN C 1 1 6 4353 1 1 31 ASN CA C -1.188 2.226 5.038 1.00 . A A . 33 ASN CA 1 1 6 4354 1 1 31 ASN CB C -0.517 2.312 6.413 1.00 . A A . 33 ASN CB 1 1 6 4355 1 1 31 ASN CG C -0.129 0.908 6.882 1.00 . A A . 33 ASN CG 1 1 6 4356 1 1 31 ASN H H -2.454 0.574 4.463 1.00 . A A . 33 ASN H 1 1 6 4357 1 1 31 ASN HA H -1.517 3.209 4.743 1.00 . A A . 33 ASN HA 1 1 6 4358 1 1 31 ASN HB2 H 0.366 2.927 6.340 1.00 . A A . 33 ASN HB2 1 1 6 4359 1 1 31 ASN HB3 H -1.198 2.753 7.125 1.00 . A A . 33 ASN HB3 1 1 6 4360 1 1 31 ASN HD21 H 0.513 1.527 8.655 1.00 . A A . 33 ASN HD21 1 1 6 4361 1 1 31 ASN HD22 H 0.633 -0.144 8.383 1.00 . A A . 33 ASN HD22 1 1 6 4362 1 1 31 ASN N N -2.365 1.311 5.106 1.00 . A A . 33 ASN N 1 1 6 4363 1 1 31 ASN ND2 N 0.382 0.750 8.072 1.00 . A A . 33 ASN ND2 1 1 6 4364 1 1 31 ASN O O -0.451 0.826 3.230 1.00 . A A . 33 ASN O 1 1 6 4365 1 1 31 ASN OD1 O -0.291 -0.054 6.157 1.00 . A A . 33 ASN OD1 1 1 6 4366 1 1 32 LYS C C 2.524 0.425 3.356 1.00 . A A . 34 LYS C 1 1 6 4367 1 1 32 LYS CA C 2.065 1.858 3.067 1.00 . A A . 34 LYS CA 1 1 6 4368 1 1 32 LYS CB C 3.255 2.811 3.201 1.00 . A A . 34 LYS CB 1 1 6 4369 1 1 32 LYS CD C 5.508 3.372 2.281 1.00 . A A . 34 LYS CD 1 1 6 4370 1 1 32 LYS CE C 6.044 3.680 3.681 1.00 . A A . 34 LYS CE 1 1 6 4371 1 1 32 LYS CG C 4.431 2.289 2.375 1.00 . A A . 34 LYS CG 1 1 6 4372 1 1 32 LYS H H 1.184 2.985 4.666 1.00 . A A . 34 LYS H 1 1 6 4373 1 1 32 LYS HA H 1.678 1.912 2.061 1.00 . A A . 34 LYS HA 1 1 6 4374 1 1 32 LYS HB2 H 2.971 3.790 2.848 1.00 . A A . 34 LYS HB2 1 1 6 4375 1 1 32 LYS HB3 H 3.548 2.874 4.239 1.00 . A A . 34 LYS HB3 1 1 6 4376 1 1 32 LYS HD2 H 6.316 3.024 1.654 1.00 . A A . 34 LYS HD2 1 1 6 4377 1 1 32 LYS HD3 H 5.082 4.268 1.855 1.00 . A A . 34 LYS HD3 1 1 6 4378 1 1 32 LYS HE2 H 6.797 4.452 3.615 1.00 . A A . 34 LYS HE2 1 1 6 4379 1 1 32 LYS HE3 H 5.234 4.021 4.309 1.00 . A A . 34 LYS HE3 1 1 6 4380 1 1 32 LYS HG2 H 4.843 1.410 2.848 1.00 . A A . 34 LYS HG2 1 1 6 4381 1 1 32 LYS HG3 H 4.091 2.037 1.382 1.00 . A A . 34 LYS HG3 1 1 6 4382 1 1 32 LYS HZ1 H 5.905 1.727 4.384 1.00 . A A . 34 LYS HZ1 1 1 6 4383 1 1 32 LYS HZ2 H 7.064 2.673 5.190 1.00 . A A . 34 LYS HZ2 1 1 6 4384 1 1 32 LYS HZ3 H 7.379 2.084 3.627 1.00 . A A . 34 LYS HZ3 1 1 6 4385 1 1 32 LYS N N 1.002 2.272 4.025 1.00 . A A . 34 LYS N 1 1 6 4386 1 1 32 LYS NZ N 6.643 2.448 4.264 1.00 . A A . 34 LYS NZ 1 1 6 4387 1 1 32 LYS O O 3.103 -0.226 2.509 1.00 . A A . 34 LYS O 1 1 6 4388 1 1 33 CYS C C 1.788 -2.449 4.116 1.00 . A A . 35 CYS C 1 1 6 4389 1 1 33 CYS CA C 2.713 -1.474 4.840 1.00 . A A . 35 CYS CA 1 1 6 4390 1 1 33 CYS CB C 2.646 -1.731 6.347 1.00 . A A . 35 CYS CB 1 1 6 4391 1 1 33 CYS H H 1.810 0.449 5.213 1.00 . A A . 35 CYS H 1 1 6 4392 1 1 33 CYS HA H 3.727 -1.617 4.494 1.00 . A A . 35 CYS HA 1 1 6 4393 1 1 33 CYS HB2 H 3.324 -1.061 6.856 1.00 . A A . 35 CYS HB2 1 1 6 4394 1 1 33 CYS HB3 H 1.639 -1.562 6.699 1.00 . A A . 35 CYS HB3 1 1 6 4395 1 1 33 CYS N N 2.279 -0.081 4.536 1.00 . A A . 35 CYS N 1 1 6 4396 1 1 33 CYS O O 2.224 -3.425 3.538 1.00 . A A . 35 CYS O 1 1 6 4397 1 1 33 CYS SG S 3.128 -3.444 6.683 1.00 . A A . 35 CYS SG 1 1 6 4398 1 1 34 ASN C C -0.345 -2.839 1.935 1.00 . A A . 36 ASN C 1 1 6 4399 1 1 34 ASN CA C -0.449 -3.079 3.442 1.00 . A A . 36 ASN CA 1 1 6 4400 1 1 34 ASN CB C -1.859 -2.746 3.917 1.00 . A A . 36 ASN CB 1 1 6 4401 1 1 34 ASN CG C -2.587 -4.032 4.304 1.00 . A A . 36 ASN CG 1 1 6 4402 1 1 34 ASN H H 0.183 -1.387 4.599 1.00 . A A . 36 ASN H 1 1 6 4403 1 1 34 ASN HA H -0.219 -4.110 3.667 1.00 . A A . 36 ASN HA 1 1 6 4404 1 1 34 ASN HB2 H -1.802 -2.092 4.776 1.00 . A A . 36 ASN HB2 1 1 6 4405 1 1 34 ASN HB3 H -2.397 -2.251 3.126 1.00 . A A . 36 ASN HB3 1 1 6 4406 1 1 34 ASN HD21 H -2.284 -3.772 6.247 1.00 . A A . 36 ASN HD21 1 1 6 4407 1 1 34 ASN HD22 H -3.141 -5.176 5.828 1.00 . A A . 36 ASN HD22 1 1 6 4408 1 1 34 ASN N N 0.512 -2.184 4.135 1.00 . A A . 36 ASN N 1 1 6 4409 1 1 34 ASN ND2 N -2.680 -4.353 5.564 1.00 . A A . 36 ASN ND2 1 1 6 4410 1 1 34 ASN O O -0.776 -3.644 1.131 1.00 . A A . 36 ASN O 1 1 6 4411 1 1 34 ASN OD1 O -3.076 -4.749 3.454 1.00 . A A . 36 ASN OD1 1 1 6 4412 1 1 35 PHE C C 1.595 -2.128 -0.469 1.00 . A A . 37 PHE C 1 1 6 4413 1 1 35 PHE CA C 0.369 -1.408 0.105 1.00 . A A . 37 PHE CA 1 1 6 4414 1 1 35 PHE CB C 0.551 0.103 -0.058 1.00 . A A . 37 PHE CB 1 1 6 4415 1 1 35 PHE CD1 C -0.629 0.272 -2.280 1.00 . A A . 37 PHE CD1 1 1 6 4416 1 1 35 PHE CD2 C 1.687 0.976 -2.135 1.00 . A A . 37 PHE CD2 1 1 6 4417 1 1 35 PHE CE1 C -0.646 0.602 -3.641 1.00 . A A . 37 PHE CE1 1 1 6 4418 1 1 35 PHE CE2 C 1.671 1.304 -3.496 1.00 . A A . 37 PHE CE2 1 1 6 4419 1 1 35 PHE CG C 0.535 0.460 -1.528 1.00 . A A . 37 PHE CG 1 1 6 4420 1 1 35 PHE CZ C 0.505 1.117 -4.249 1.00 . A A . 37 PHE CZ 1 1 6 4421 1 1 35 PHE H H 0.558 -1.102 2.226 1.00 . A A . 37 PHE H 1 1 6 4422 1 1 35 PHE HA H -0.517 -1.723 -0.427 1.00 . A A . 37 PHE HA 1 1 6 4423 1 1 35 PHE HB2 H -0.252 0.621 0.450 1.00 . A A . 37 PHE HB2 1 1 6 4424 1 1 35 PHE HB3 H 1.496 0.400 0.373 1.00 . A A . 37 PHE HB3 1 1 6 4425 1 1 35 PHE HD1 H -1.513 -0.125 -1.812 1.00 . A A . 37 PHE HD1 1 1 6 4426 1 1 35 PHE HD2 H 2.586 1.120 -1.556 1.00 . A A . 37 PHE HD2 1 1 6 4427 1 1 35 PHE HE1 H -1.546 0.460 -4.223 1.00 . A A . 37 PHE HE1 1 1 6 4428 1 1 35 PHE HE2 H 2.558 1.701 -3.966 1.00 . A A . 37 PHE HE2 1 1 6 4429 1 1 35 PHE HZ H 0.495 1.370 -5.299 1.00 . A A . 37 PHE HZ 1 1 6 4430 1 1 35 PHE N N 0.225 -1.730 1.553 1.00 . A A . 37 PHE N 1 1 6 4431 1 1 35 PHE O O 1.566 -2.636 -1.573 1.00 . A A . 37 PHE O 1 1 6 4432 1 1 36 CYS C C 3.705 -4.363 -0.189 1.00 . A A . 38 CYS C 1 1 6 4433 1 1 36 CYS CA C 3.899 -2.849 -0.240 1.00 . A A . 38 CYS CA 1 1 6 4434 1 1 36 CYS CB C 5.098 -2.459 0.628 1.00 . A A . 38 CYS CB 1 1 6 4435 1 1 36 CYS H H 2.675 -1.752 1.153 1.00 . A A . 38 CYS H 1 1 6 4436 1 1 36 CYS HA H 4.081 -2.549 -1.259 1.00 . A A . 38 CYS HA 1 1 6 4437 1 1 36 CYS HB2 H 4.813 -2.489 1.667 1.00 . A A . 38 CYS HB2 1 1 6 4438 1 1 36 CYS HB3 H 5.907 -3.154 0.459 1.00 . A A . 38 CYS HB3 1 1 6 4439 1 1 36 CYS N N 2.672 -2.171 0.268 1.00 . A A . 38 CYS N 1 1 6 4440 1 1 36 CYS O O 4.174 -5.088 -1.044 1.00 . A A . 38 CYS O 1 1 6 4441 1 1 36 CYS SG S 5.636 -0.786 0.202 1.00 . A A . 38 CYS SG 1 1 6 4442 1 1 37 ASN C C 1.731 -6.721 -0.115 1.00 . A A . 39 ASN C 1 1 6 4443 1 1 37 ASN CA C 2.793 -6.317 0.901 1.00 . A A . 39 ASN CA 1 1 6 4444 1 1 37 ASN CB C 2.328 -6.678 2.314 1.00 . A A . 39 ASN CB 1 1 6 4445 1 1 37 ASN CG C 3.439 -7.440 3.041 1.00 . A A . 39 ASN CG 1 1 6 4446 1 1 37 ASN H H 2.641 -4.248 1.481 1.00 . A A . 39 ASN H 1 1 6 4447 1 1 37 ASN HA H 3.710 -6.834 0.673 1.00 . A A . 39 ASN HA 1 1 6 4448 1 1 37 ASN HB2 H 2.096 -5.773 2.858 1.00 . A A . 39 ASN HB2 1 1 6 4449 1 1 37 ASN HB3 H 1.448 -7.297 2.257 1.00 . A A . 39 ASN HB3 1 1 6 4450 1 1 37 ASN HD21 H 3.223 -6.432 4.740 1.00 . A A . 39 ASN HD21 1 1 6 4451 1 1 37 ASN HD22 H 4.431 -7.625 4.753 1.00 . A A . 39 ASN HD22 1 1 6 4452 1 1 37 ASN N N 3.016 -4.848 0.804 1.00 . A A . 39 ASN N 1 1 6 4453 1 1 37 ASN ND2 N 3.721 -7.140 4.281 1.00 . A A . 39 ASN ND2 1 1 6 4454 1 1 37 ASN O O 1.879 -7.690 -0.832 1.00 . A A . 39 ASN O 1 1 6 4455 1 1 37 ASN OD1 O 4.057 -8.319 2.475 1.00 . A A . 39 ASN OD1 1 1 6 4456 1 1 38 ALA C C 0.266 -6.239 -2.583 1.00 . A A . 40 ALA C 1 1 6 4457 1 1 38 ALA CA C -0.377 -6.297 -1.201 1.00 . A A . 40 ALA CA 1 1 6 4458 1 1 38 ALA CB C -1.513 -5.275 -1.112 1.00 . A A . 40 ALA CB 1 1 6 4459 1 1 38 ALA H H 0.586 -5.178 0.366 1.00 . A A . 40 ALA H 1 1 6 4460 1 1 38 ALA HA H -0.760 -7.290 -1.018 1.00 . A A . 40 ALA HA 1 1 6 4461 1 1 38 ALA HB1 H -1.133 -4.292 -1.346 1.00 . A A . 40 ALA HB1 1 1 6 4462 1 1 38 ALA HB2 H -1.921 -5.275 -0.112 1.00 . A A . 40 ALA HB2 1 1 6 4463 1 1 38 ALA HB3 H -2.289 -5.538 -1.817 1.00 . A A . 40 ALA HB3 1 1 6 4464 1 1 38 ALA N N 0.674 -5.969 -0.205 1.00 . A A . 40 ALA N 1 1 6 4465 1 1 38 ALA O O -0.215 -6.817 -3.538 1.00 . A A . 40 ALA O 1 1 6 4466 1 1 39 VAL C C 2.961 -6.678 -4.180 1.00 . A A . 41 VAL C 1 1 6 4467 1 1 39 VAL CA C 2.075 -5.446 -3.991 1.00 . A A . 41 VAL CA 1 1 6 4468 1 1 39 VAL CB C 2.946 -4.189 -4.003 1.00 . A A . 41 VAL CB 1 1 6 4469 1 1 39 VAL CG1 C 3.882 -4.229 -5.212 1.00 . A A . 41 VAL CG1 1 1 6 4470 1 1 39 VAL CG2 C 2.051 -2.950 -4.089 1.00 . A A . 41 VAL CG2 1 1 6 4471 1 1 39 VAL H H 1.739 -5.097 -1.896 1.00 . A A . 41 VAL H 1 1 6 4472 1 1 39 VAL HA H 1.352 -5.394 -4.790 1.00 . A A . 41 VAL HA 1 1 6 4473 1 1 39 VAL HB H 3.532 -4.151 -3.096 1.00 . A A . 41 VAL HB 1 1 6 4474 1 1 39 VAL HG11 H 4.343 -3.261 -5.342 1.00 . A A . 41 VAL HG11 1 1 6 4475 1 1 39 VAL HG12 H 3.316 -4.480 -6.098 1.00 . A A . 41 VAL HG12 1 1 6 4476 1 1 39 VAL HG13 H 4.647 -4.973 -5.050 1.00 . A A . 41 VAL HG13 1 1 6 4477 1 1 39 VAL HG21 H 2.532 -2.124 -3.588 1.00 . A A . 41 VAL HG21 1 1 6 4478 1 1 39 VAL HG22 H 1.103 -3.158 -3.614 1.00 . A A . 41 VAL HG22 1 1 6 4479 1 1 39 VAL HG23 H 1.888 -2.697 -5.126 1.00 . A A . 41 VAL HG23 1 1 6 4480 1 1 39 VAL N N 1.369 -5.547 -2.685 1.00 . A A . 41 VAL N 1 1 6 4481 1 1 39 VAL O O 3.157 -7.147 -5.284 1.00 . A A . 41 VAL O 1 1 6 4482 1 1 40 VAL C C 3.500 -9.645 -3.507 1.00 . A A . 42 VAL C 1 1 6 4483 1 1 40 VAL CA C 4.369 -8.412 -3.248 1.00 . A A . 42 VAL CA 1 1 6 4484 1 1 40 VAL CB C 5.172 -8.615 -1.963 1.00 . A A . 42 VAL CB 1 1 6 4485 1 1 40 VAL CG1 C 6.122 -9.799 -2.141 1.00 . A A . 42 VAL CG1 1 1 6 4486 1 1 40 VAL CG2 C 5.986 -7.351 -1.669 1.00 . A A . 42 VAL CG2 1 1 6 4487 1 1 40 VAL H H 3.328 -6.817 -2.225 1.00 . A A . 42 VAL H 1 1 6 4488 1 1 40 VAL HA H 5.047 -8.271 -4.076 1.00 . A A . 42 VAL HA 1 1 6 4489 1 1 40 VAL HB H 4.498 -8.811 -1.142 1.00 . A A . 42 VAL HB 1 1 6 4490 1 1 40 VAL HG11 H 7.139 -9.474 -1.978 1.00 . A A . 42 VAL HG11 1 1 6 4491 1 1 40 VAL HG12 H 6.027 -10.189 -3.145 1.00 . A A . 42 VAL HG12 1 1 6 4492 1 1 40 VAL HG13 H 5.872 -10.572 -1.430 1.00 . A A . 42 VAL HG13 1 1 6 4493 1 1 40 VAL HG21 H 7.022 -7.618 -1.520 1.00 . A A . 42 VAL HG21 1 1 6 4494 1 1 40 VAL HG22 H 5.606 -6.877 -0.776 1.00 . A A . 42 VAL HG22 1 1 6 4495 1 1 40 VAL HG23 H 5.905 -6.669 -2.502 1.00 . A A . 42 VAL HG23 1 1 6 4496 1 1 40 VAL N N 3.498 -7.209 -3.112 1.00 . A A . 42 VAL N 1 1 6 4497 1 1 40 VAL O O 3.937 -10.607 -4.108 1.00 . A A . 42 VAL O 1 1 6 4498 1 1 41 GLU C C 0.780 -10.706 -4.694 1.00 . A A . 43 GLU C 1 1 6 4499 1 1 41 GLU CA C 1.381 -10.794 -3.290 1.00 . A A . 43 GLU CA 1 1 6 4500 1 1 41 GLU CB C 0.257 -10.788 -2.250 1.00 . A A . 43 GLU CB 1 1 6 4501 1 1 41 GLU CD C 0.029 -11.803 0.023 1.00 . A A . 43 GLU CD 1 1 6 4502 1 1 41 GLU CG C 0.858 -10.851 -0.843 1.00 . A A . 43 GLU CG 1 1 6 4503 1 1 41 GLU H H 1.940 -8.839 -2.585 1.00 . A A . 43 GLU H 1 1 6 4504 1 1 41 GLU HA H 1.952 -11.706 -3.199 1.00 . A A . 43 GLU HA 1 1 6 4505 1 1 41 GLU HB2 H -0.324 -9.882 -2.353 1.00 . A A . 43 GLU HB2 1 1 6 4506 1 1 41 GLU HB3 H -0.382 -11.644 -2.405 1.00 . A A . 43 GLU HB3 1 1 6 4507 1 1 41 GLU HG2 H 1.875 -11.207 -0.902 1.00 . A A . 43 GLU HG2 1 1 6 4508 1 1 41 GLU HG3 H 0.847 -9.866 -0.402 1.00 . A A . 43 GLU HG3 1 1 6 4509 1 1 41 GLU N N 2.274 -9.625 -3.063 1.00 . A A . 43 GLU N 1 1 6 4510 1 1 41 GLU O O 0.659 -11.694 -5.392 1.00 . A A . 43 GLU O 1 1 6 4511 1 1 41 GLU OE1 O 0.337 -12.984 0.028 1.00 . A A . 43 GLU OE1 1 1 6 4512 1 1 41 GLU OE2 O -0.895 -11.335 0.665 1.00 . A A . 43 GLU OE2 1 1 6 4513 1 1 42 SER C C 0.912 -9.506 -7.529 1.00 . A A . 44 SER C 1 1 6 4514 1 1 42 SER CA C -0.190 -9.375 -6.473 1.00 . A A . 44 SER CA 1 1 6 4515 1 1 42 SER CB C -0.853 -8.001 -6.588 1.00 . A A . 44 SER CB 1 1 6 4516 1 1 42 SER H H 0.509 -8.745 -4.535 1.00 . A A . 44 SER H 1 1 6 4517 1 1 42 SER HA H -0.931 -10.146 -6.630 1.00 . A A . 44 SER HA 1 1 6 4518 1 1 42 SER HB2 H -0.838 -7.509 -5.630 1.00 . A A . 44 SER HB2 1 1 6 4519 1 1 42 SER HB3 H -0.312 -7.400 -7.308 1.00 . A A . 44 SER HB3 1 1 6 4520 1 1 42 SER HG H -2.722 -8.424 -6.243 1.00 . A A . 44 SER HG 1 1 6 4521 1 1 42 SER N N 0.402 -9.529 -5.113 1.00 . A A . 44 SER N 1 1 6 4522 1 1 42 SER O O 0.644 -9.604 -8.708 1.00 . A A . 44 SER O 1 1 6 4523 1 1 42 SER OG O -2.202 -8.166 -7.009 1.00 . A A . 44 SER OG 1 1 6 4524 1 1 43 ASN C C 3.303 -8.457 -9.023 1.00 . A A . 45 ASN C 1 1 6 4525 1 1 43 ASN CA C 3.268 -9.660 -8.077 1.00 . A A . 45 ASN CA 1 1 6 4526 1 1 43 ASN CB C 3.068 -10.937 -8.887 1.00 . A A . 45 ASN CB 1 1 6 4527 1 1 43 ASN CG C 3.846 -12.082 -8.239 1.00 . A A . 45 ASN CG 1 1 6 4528 1 1 43 ASN H H 2.340 -9.452 -6.155 1.00 . A A . 45 ASN H 1 1 6 4529 1 1 43 ASN HA H 4.200 -9.721 -7.541 1.00 . A A . 45 ASN HA 1 1 6 4530 1 1 43 ASN HB2 H 2.016 -11.184 -8.917 1.00 . A A . 45 ASN HB2 1 1 6 4531 1 1 43 ASN HB3 H 3.428 -10.781 -9.889 1.00 . A A . 45 ASN HB3 1 1 6 4532 1 1 43 ASN HD21 H 3.826 -13.210 -9.873 1.00 . A A . 45 ASN HD21 1 1 6 4533 1 1 43 ASN HD22 H 4.616 -13.887 -8.532 1.00 . A A . 45 ASN HD22 1 1 6 4534 1 1 43 ASN N N 2.148 -9.522 -7.108 1.00 . A A . 45 ASN N 1 1 6 4535 1 1 43 ASN ND2 N 4.119 -13.149 -8.939 1.00 . A A . 45 ASN ND2 1 1 6 4536 1 1 43 ASN O O 3.702 -8.567 -10.166 1.00 . A A . 45 ASN O 1 1 6 4537 1 1 43 ASN OD1 O 4.207 -12.008 -7.081 1.00 . A A . 45 ASN OD1 1 1 6 4538 1 1 44 GLY C C 1.533 -5.877 -10.040 1.00 . A A . 46 GLY C 1 1 6 4539 1 1 44 GLY CA C 2.919 -6.105 -9.437 1.00 . A A . 46 GLY CA 1 1 6 4540 1 1 44 GLY H H 2.583 -7.236 -7.634 1.00 . A A . 46 GLY H 1 1 6 4541 1 1 44 GLY HA2 H 3.206 -5.241 -8.854 1.00 . A A . 46 GLY HA2 1 1 6 4542 1 1 44 GLY HA3 H 3.633 -6.254 -10.233 1.00 . A A . 46 GLY HA3 1 1 6 4543 1 1 44 GLY N N 2.897 -7.309 -8.559 1.00 . A A . 46 GLY N 1 1 6 4544 1 1 44 GLY O O 1.291 -4.888 -10.704 1.00 . A A . 46 GLY O 1 1 6 4545 1 1 45 THR C C -1.552 -5.650 -9.490 1.00 . A A . 47 THR C 1 1 6 4546 1 1 45 THR CA C -0.749 -6.603 -10.380 1.00 . A A . 47 THR CA 1 1 6 4547 1 1 45 THR CB C -1.452 -7.962 -10.442 1.00 . A A . 47 THR CB 1 1 6 4548 1 1 45 THR CG2 C -0.747 -8.853 -11.466 1.00 . A A . 47 THR CG2 1 1 6 4549 1 1 45 THR H H 0.831 -7.571 -9.277 1.00 . A A . 47 THR H 1 1 6 4550 1 1 45 THR HA H -0.677 -6.192 -11.375 1.00 . A A . 47 THR HA 1 1 6 4551 1 1 45 THR HB H -2.481 -7.823 -10.739 1.00 . A A . 47 THR HB 1 1 6 4552 1 1 45 THR HG1 H -2.044 -9.297 -9.157 1.00 . A A . 47 THR HG1 1 1 6 4553 1 1 45 THR HG21 H -0.949 -8.488 -12.461 1.00 . A A . 47 THR HG21 1 1 6 4554 1 1 45 THR HG22 H -1.111 -9.865 -11.373 1.00 . A A . 47 THR HG22 1 1 6 4555 1 1 45 THR HG23 H 0.318 -8.836 -11.285 1.00 . A A . 47 THR HG23 1 1 6 4556 1 1 45 THR N N 0.618 -6.779 -9.816 1.00 . A A . 47 THR N 1 1 6 4557 1 1 45 THR O O -2.675 -5.302 -9.792 1.00 . A A . 47 THR O 1 1 6 4558 1 1 45 THR OG1 O -1.407 -8.578 -9.163 1.00 . A A . 47 THR OG1 1 1 6 4559 1 1 46 LEU C C -0.918 -2.984 -7.376 1.00 . A A . 48 LEU C 1 1 6 4560 1 1 46 LEU CA C -1.706 -4.290 -7.489 1.00 . A A . 48 LEU CA 1 1 6 4561 1 1 46 LEU CB C -1.838 -4.928 -6.105 1.00 . A A . 48 LEU CB 1 1 6 4562 1 1 46 LEU CD1 C -3.692 -4.713 -4.442 1.00 . A A . 48 LEU CD1 1 1 6 4563 1 1 46 LEU CD2 C -1.575 -3.423 -4.132 1.00 . A A . 48 LEU CD2 1 1 6 4564 1 1 46 LEU CG C -2.565 -3.968 -5.163 1.00 . A A . 48 LEU CG 1 1 6 4565 1 1 46 LEU H H -0.073 -5.512 -8.172 1.00 . A A . 48 LEU H 1 1 6 4566 1 1 46 LEU HA H -2.689 -4.086 -7.890 1.00 . A A . 48 LEU HA 1 1 6 4567 1 1 46 LEU HB2 H -2.397 -5.848 -6.186 1.00 . A A . 48 LEU HB2 1 1 6 4568 1 1 46 LEU HB3 H -0.855 -5.138 -5.712 1.00 . A A . 48 LEU HB3 1 1 6 4569 1 1 46 LEU HD11 H -3.619 -4.532 -3.380 1.00 . A A . 48 LEU HD11 1 1 6 4570 1 1 46 LEU HD12 H -3.602 -5.772 -4.634 1.00 . A A . 48 LEU HD12 1 1 6 4571 1 1 46 LEU HD13 H -4.646 -4.361 -4.803 1.00 . A A . 48 LEU HD13 1 1 6 4572 1 1 46 LEU HD21 H -0.588 -3.384 -4.568 1.00 . A A . 48 LEU HD21 1 1 6 4573 1 1 46 LEU HD22 H -1.561 -4.070 -3.269 1.00 . A A . 48 LEU HD22 1 1 6 4574 1 1 46 LEU HD23 H -1.876 -2.430 -3.834 1.00 . A A . 48 LEU HD23 1 1 6 4575 1 1 46 LEU HG H -2.982 -3.151 -5.734 1.00 . A A . 48 LEU HG 1 1 6 4576 1 1 46 LEU N N -0.980 -5.223 -8.397 1.00 . A A . 48 LEU N 1 1 6 4577 1 1 46 LEU O O 0.042 -2.888 -6.638 1.00 . A A . 48 LEU O 1 1 6 4578 1 1 47 THR C C -1.303 0.280 -7.110 1.00 . A A . 49 THR C 1 1 6 4579 1 1 47 THR CA C -0.575 -0.683 -8.046 1.00 . A A . 49 THR CA 1 1 6 4580 1 1 47 THR CB C -0.479 -0.070 -9.452 1.00 . A A . 49 THR CB 1 1 6 4581 1 1 47 THR CG2 C -0.523 -1.178 -10.507 1.00 . A A . 49 THR CG2 1 1 6 4582 1 1 47 THR H H -2.083 -2.073 -8.704 1.00 . A A . 49 THR H 1 1 6 4583 1 1 47 THR HA H 0.421 -0.853 -7.668 1.00 . A A . 49 THR HA 1 1 6 4584 1 1 47 THR HB H 0.453 0.467 -9.543 1.00 . A A . 49 THR HB 1 1 6 4585 1 1 47 THR HG1 H -1.745 0.855 -10.600 1.00 . A A . 49 THR HG1 1 1 6 4586 1 1 47 THR HG21 H -0.017 -0.843 -11.402 1.00 . A A . 49 THR HG21 1 1 6 4587 1 1 47 THR HG22 H -1.553 -1.411 -10.742 1.00 . A A . 49 THR HG22 1 1 6 4588 1 1 47 THR HG23 H -0.033 -2.060 -10.124 1.00 . A A . 49 THR HG23 1 1 6 4589 1 1 47 THR N N -1.310 -1.977 -8.109 1.00 . A A . 49 THR N 1 1 6 4590 1 1 47 THR O O -1.985 -0.122 -6.188 1.00 . A A . 49 THR O 1 1 6 4591 1 1 47 THR OG1 O -1.559 0.827 -9.658 1.00 . A A . 49 THR OG1 1 1 6 4592 1 1 48 LEU C C -2.897 3.274 -7.302 1.00 . A A . 50 LEU C 1 1 6 4593 1 1 48 LEU CA C -1.813 2.568 -6.486 1.00 . A A . 50 LEU CA 1 1 6 4594 1 1 48 LEU CB C -0.766 3.588 -6.027 1.00 . A A . 50 LEU CB 1 1 6 4595 1 1 48 LEU CD1 C -0.833 5.052 -4.007 1.00 . A A . 50 LEU CD1 1 1 6 4596 1 1 48 LEU CD2 C -1.257 6.023 -6.271 1.00 . A A . 50 LEU CD2 1 1 6 4597 1 1 48 LEU CG C -1.451 4.792 -5.381 1.00 . A A . 50 LEU CG 1 1 6 4598 1 1 48 LEU H H -0.594 1.830 -8.090 1.00 . A A . 50 LEU H 1 1 6 4599 1 1 48 LEU HA H -2.257 2.091 -5.624 1.00 . A A . 50 LEU HA 1 1 6 4600 1 1 48 LEU HB2 H -0.106 3.125 -5.308 1.00 . A A . 50 LEU HB2 1 1 6 4601 1 1 48 LEU HB3 H -0.192 3.920 -6.879 1.00 . A A . 50 LEU HB3 1 1 6 4602 1 1 48 LEU HD11 H -1.439 4.583 -3.245 1.00 . A A . 50 LEU HD11 1 1 6 4603 1 1 48 LEU HD12 H -0.789 6.116 -3.827 1.00 . A A . 50 LEU HD12 1 1 6 4604 1 1 48 LEU HD13 H 0.165 4.639 -3.976 1.00 . A A . 50 LEU HD13 1 1 6 4605 1 1 48 LEU HD21 H -0.904 5.711 -7.243 1.00 . A A . 50 LEU HD21 1 1 6 4606 1 1 48 LEU HD22 H -0.533 6.682 -5.819 1.00 . A A . 50 LEU HD22 1 1 6 4607 1 1 48 LEU HD23 H -2.199 6.541 -6.379 1.00 . A A . 50 LEU HD23 1 1 6 4608 1 1 48 LEU HG H -2.504 4.590 -5.265 1.00 . A A . 50 LEU HG 1 1 6 4609 1 1 48 LEU N N -1.151 1.548 -7.344 1.00 . A A . 50 LEU N 1 1 6 4610 1 1 48 LEU O O -2.791 3.409 -8.505 1.00 . A A . 50 LEU O 1 1 6 4611 1 1 49 SER C C -5.059 5.887 -6.977 1.00 . A A . 51 SER C 1 1 6 4612 1 1 49 SER CA C -5.026 4.420 -7.398 1.00 . A A . 51 SER CA 1 1 6 4613 1 1 49 SER CB C -6.367 3.762 -7.069 1.00 . A A . 51 SER CB 1 1 6 4614 1 1 49 SER H H -4.001 3.607 -5.693 1.00 . A A . 51 SER H 1 1 6 4615 1 1 49 SER HA H -4.843 4.353 -8.461 1.00 . A A . 51 SER HA 1 1 6 4616 1 1 49 SER HB2 H -6.222 2.711 -6.891 1.00 . A A . 51 SER HB2 1 1 6 4617 1 1 49 SER HB3 H -6.784 4.221 -6.182 1.00 . A A . 51 SER HB3 1 1 6 4618 1 1 49 SER HG H -8.064 4.331 -7.836 1.00 . A A . 51 SER HG 1 1 6 4619 1 1 49 SER N N -3.937 3.724 -6.662 1.00 . A A . 51 SER N 1 1 6 4620 1 1 49 SER O O -5.270 6.771 -7.782 1.00 . A A . 51 SER O 1 1 6 4621 1 1 49 SER OG O -7.256 3.932 -8.167 1.00 . A A . 51 SER OG 1 1 6 4622 1 1 50 HIS C C -4.615 7.568 -3.721 1.00 . A A . 52 HIS C 1 1 6 4623 1 1 50 HIS CA C -4.844 7.559 -5.239 1.00 . A A . 52 HIS CA 1 1 6 4624 1 1 50 HIS CB C -6.184 8.234 -5.606 1.00 . A A . 52 HIS CB 1 1 6 4625 1 1 50 HIS CD2 C -7.500 8.876 -3.422 1.00 . A A . 52 HIS CD2 1 1 6 4626 1 1 50 HIS CE1 C -8.779 7.133 -3.295 1.00 . A A . 52 HIS CE1 1 1 6 4627 1 1 50 HIS CG C -7.190 8.078 -4.494 1.00 . A A . 52 HIS CG 1 1 6 4628 1 1 50 HIS H H -4.657 5.428 -5.085 1.00 . A A . 52 HIS H 1 1 6 4629 1 1 50 HIS HA H -4.035 8.094 -5.716 1.00 . A A . 52 HIS HA 1 1 6 4630 1 1 50 HIS HB2 H -6.015 9.284 -5.785 1.00 . A A . 52 HIS HB2 1 1 6 4631 1 1 50 HIS HB3 H -6.575 7.780 -6.506 1.00 . A A . 52 HIS HB3 1 1 6 4632 1 1 50 HIS HD1 H -8.049 6.211 -5.014 1.00 . A A . 52 HIS HD1 1 1 6 4633 1 1 50 HIS HD2 H -7.034 9.823 -3.197 1.00 . A A . 52 HIS HD2 1 1 6 4634 1 1 50 HIS HE1 H -9.514 6.423 -2.956 1.00 . A A . 52 HIS HE1 1 1 6 4635 1 1 50 HIS N N -4.838 6.154 -5.717 1.00 . A A . 52 HIS N 1 1 6 4636 1 1 50 HIS ND1 N -8.019 6.971 -4.395 1.00 . A A . 52 HIS ND1 1 1 6 4637 1 1 50 HIS NE2 N -8.501 8.278 -2.667 1.00 . A A . 52 HIS NE2 1 1 6 4638 1 1 50 HIS O O -5.441 7.124 -2.948 1.00 . A A . 52 HIS O 1 1 6 4639 1 1 51 PHE C C -4.423 8.572 -1.077 1.00 . A A . 53 PHE C 1 1 6 4640 1 1 51 PHE CA C -3.185 8.099 -1.842 1.00 . A A . 53 PHE CA 1 1 6 4641 1 1 51 PHE CB C -2.034 9.073 -1.603 1.00 . A A . 53 PHE CB 1 1 6 4642 1 1 51 PHE CD1 C 0.000 7.624 -1.927 1.00 . A A . 53 PHE CD1 1 1 6 4643 1 1 51 PHE CD2 C -0.555 9.257 -3.633 1.00 . A A . 53 PHE CD2 1 1 6 4644 1 1 51 PHE CE1 C 1.114 7.223 -2.674 1.00 . A A . 53 PHE CE1 1 1 6 4645 1 1 51 PHE CE2 C 0.558 8.855 -4.379 1.00 . A A . 53 PHE CE2 1 1 6 4646 1 1 51 PHE CG C -0.833 8.641 -2.406 1.00 . A A . 53 PHE CG 1 1 6 4647 1 1 51 PHE CZ C 1.393 7.839 -3.900 1.00 . A A . 53 PHE CZ 1 1 6 4648 1 1 51 PHE H H -2.832 8.390 -3.938 1.00 . A A . 53 PHE H 1 1 6 4649 1 1 51 PHE HA H -2.901 7.114 -1.502 1.00 . A A . 53 PHE HA 1 1 6 4650 1 1 51 PHE HB2 H -2.334 10.066 -1.906 1.00 . A A . 53 PHE HB2 1 1 6 4651 1 1 51 PHE HB3 H -1.783 9.078 -0.558 1.00 . A A . 53 PHE HB3 1 1 6 4652 1 1 51 PHE HD1 H -0.215 7.150 -0.981 1.00 . A A . 53 PHE HD1 1 1 6 4653 1 1 51 PHE HD2 H -1.198 10.041 -4.001 1.00 . A A . 53 PHE HD2 1 1 6 4654 1 1 51 PHE HE1 H 1.758 6.438 -2.305 1.00 . A A . 53 PHE HE1 1 1 6 4655 1 1 51 PHE HE2 H 0.773 9.330 -5.324 1.00 . A A . 53 PHE HE2 1 1 6 4656 1 1 51 PHE HZ H 2.253 7.530 -4.477 1.00 . A A . 53 PHE HZ 1 1 6 4657 1 1 51 PHE N N -3.487 8.057 -3.297 1.00 . A A . 53 PHE N 1 1 6 4658 1 1 51 PHE O O -4.654 9.754 -0.922 1.00 . A A . 53 PHE O 1 1 6 4659 1 1 52 GLY C C -7.521 6.982 -0.047 1.00 . A A . 54 GLY C 1 1 6 4660 1 1 52 GLY CA C -6.449 8.056 0.145 1.00 . A A . 54 GLY CA 1 1 6 4661 1 1 52 GLY H H -5.024 6.711 -0.746 1.00 . A A . 54 GLY H 1 1 6 4662 1 1 52 GLY HA2 H -6.213 8.152 1.195 1.00 . A A . 54 GLY HA2 1 1 6 4663 1 1 52 GLY HA3 H -6.816 8.998 -0.233 1.00 . A A . 54 GLY HA3 1 1 6 4664 1 1 52 GLY N N -5.224 7.660 -0.604 1.00 . A A . 54 GLY N 1 1 6 4665 1 1 52 GLY O O -7.512 6.251 -1.015 1.00 . A A . 54 GLY O 1 1 6 4666 1 1 53 LYS C C -10.395 6.189 -0.473 1.00 . A A . 55 LYS C 1 1 6 4667 1 1 53 LYS CA C -9.512 5.849 0.729 1.00 . A A . 55 LYS CA 1 1 6 4668 1 1 53 LYS CB C -10.365 5.820 1.999 1.00 . A A . 55 LYS CB 1 1 6 4669 1 1 53 LYS CD C -11.978 7.124 3.396 1.00 . A A . 55 LYS CD 1 1 6 4670 1 1 53 LYS CE C -13.378 6.529 3.242 1.00 . A A . 55 LYS CE 1 1 6 4671 1 1 53 LYS CG C -11.248 7.069 2.052 1.00 . A A . 55 LYS CG 1 1 6 4672 1 1 53 LYS H H -8.439 7.477 1.644 1.00 . A A . 55 LYS H 1 1 6 4673 1 1 53 LYS HA H -9.059 4.879 0.579 1.00 . A A . 55 LYS HA 1 1 6 4674 1 1 53 LYS HB2 H -10.990 4.938 1.993 1.00 . A A . 55 LYS HB2 1 1 6 4675 1 1 53 LYS HB3 H -9.722 5.799 2.865 1.00 . A A . 55 LYS HB3 1 1 6 4676 1 1 53 LYS HD2 H -11.423 6.560 4.131 1.00 . A A . 55 LYS HD2 1 1 6 4677 1 1 53 LYS HD3 H -12.061 8.151 3.720 1.00 . A A . 55 LYS HD3 1 1 6 4678 1 1 53 LYS HE2 H -13.984 7.182 2.632 1.00 . A A . 55 LYS HE2 1 1 6 4679 1 1 53 LYS HE3 H -13.308 5.559 2.770 1.00 . A A . 55 LYS HE3 1 1 6 4680 1 1 53 LYS HG2 H -10.631 7.949 1.940 1.00 . A A . 55 LYS HG2 1 1 6 4681 1 1 53 LYS HG3 H -11.972 7.033 1.253 1.00 . A A . 55 LYS HG3 1 1 6 4682 1 1 53 LYS HZ1 H -14.649 7.180 4.759 1.00 . A A . 55 LYS HZ1 1 1 6 4683 1 1 53 LYS HZ2 H -13.264 6.366 5.315 1.00 . A A . 55 LYS HZ2 1 1 6 4684 1 1 53 LYS HZ3 H -14.545 5.493 4.622 1.00 . A A . 55 LYS HZ3 1 1 6 4685 1 1 53 LYS N N -8.446 6.879 0.867 1.00 . A A . 55 LYS N 1 1 6 4686 1 1 53 LYS NZ N -14.008 6.380 4.586 1.00 . A A . 55 LYS NZ 1 1 6 4687 1 1 53 LYS O O -10.510 7.332 -0.867 1.00 . A A . 55 LYS O 1 1 6 4688 1 1 54 CYS C C -13.340 5.627 -1.770 1.00 . A A . 56 CYS C 1 1 6 4689 1 1 54 CYS CA C -11.891 5.471 -2.235 1.00 . A A . 56 CYS CA 1 1 6 4690 1 1 54 CYS CB C -11.794 4.301 -3.217 1.00 . A A . 56 CYS CB 1 1 6 4691 1 1 54 CYS H H -10.911 4.288 -0.727 1.00 . A A . 56 CYS H 1 1 6 4692 1 1 54 CYS HA H -11.570 6.379 -2.723 1.00 . A A . 56 CYS HA 1 1 6 4693 1 1 54 CYS HB2 H -11.609 3.388 -2.668 1.00 . A A . 56 CYS HB2 1 1 6 4694 1 1 54 CYS HB3 H -12.721 4.213 -3.764 1.00 . A A . 56 CYS HB3 1 1 6 4695 1 1 54 CYS N N -11.018 5.203 -1.059 1.00 . A A . 56 CYS N 1 1 6 4696 1 1 54 CYS O O -14.093 4.680 -1.916 1.00 . A A . 56 CYS O 1 1 6 4697 1 1 54 CYS OXT O -13.671 6.692 -1.273 1.00 . A A . 56 CYS OXT 1 1 6 4698 1 1 54 CYS SG S -10.435 4.592 -4.375 1.00 . A A . 56 CYS SG 1 1 7 4699 1 1 1 ALA C C 6.740 6.703 -8.782 1.00 . A A . 3 ALA C 1 1 7 4700 1 1 1 ALA CA C 8.211 7.119 -8.775 1.00 . A A . 3 ALA CA 1 1 7 4701 1 1 1 ALA CB C 9.082 5.900 -8.475 1.00 . A A . 3 ALA CB 1 1 7 4702 1 1 1 ALA H1 H 8.080 7.797 -6.812 1.00 . A A . 3 ALA H1 1 1 7 4703 1 1 1 ALA H2 H 7.914 9.020 -7.977 1.00 . A A . 3 ALA H2 1 1 7 4704 1 1 1 ALA H3 H 9.444 8.359 -7.646 1.00 . A A . 3 ALA H3 1 1 7 4705 1 1 1 ALA HA H 8.476 7.525 -9.740 1.00 . A A . 3 ALA HA 1 1 7 4706 1 1 1 ALA HB1 H 8.798 5.084 -9.125 1.00 . A A . 3 ALA HB1 1 1 7 4707 1 1 1 ALA HB2 H 8.947 5.603 -7.446 1.00 . A A . 3 ALA HB2 1 1 7 4708 1 1 1 ALA HB3 H 10.120 6.149 -8.645 1.00 . A A . 3 ALA HB3 1 1 7 4709 1 1 1 ALA N N 8.429 8.152 -7.723 1.00 . A A . 3 ALA N 1 1 7 4710 1 1 1 ALA O O 5.966 7.130 -9.617 1.00 . A A . 3 ALA O 1 1 7 4711 1 1 2 VAL C C 4.271 5.975 -6.540 1.00 . A A . 4 VAL C 1 1 7 4712 1 1 2 VAL CA C 4.929 5.425 -7.807 1.00 . A A . 4 VAL CA 1 1 7 4713 1 1 2 VAL CB C 4.877 3.896 -7.788 1.00 . A A . 4 VAL CB 1 1 7 4714 1 1 2 VAL CG1 C 5.308 3.385 -6.409 1.00 . A A . 4 VAL CG1 1 1 7 4715 1 1 2 VAL CG2 C 3.448 3.431 -8.077 1.00 . A A . 4 VAL CG2 1 1 7 4716 1 1 2 VAL H H 6.990 5.538 -7.195 1.00 . A A . 4 VAL H 1 1 7 4717 1 1 2 VAL HA H 4.403 5.794 -8.675 1.00 . A A . 4 VAL HA 1 1 7 4718 1 1 2 VAL HB H 5.544 3.504 -8.541 1.00 . A A . 4 VAL HB 1 1 7 4719 1 1 2 VAL HG11 H 5.540 2.334 -6.473 1.00 . A A . 4 VAL HG11 1 1 7 4720 1 1 2 VAL HG12 H 4.505 3.535 -5.703 1.00 . A A . 4 VAL HG12 1 1 7 4721 1 1 2 VAL HG13 H 6.181 3.928 -6.083 1.00 . A A . 4 VAL HG13 1 1 7 4722 1 1 2 VAL HG21 H 3.119 2.769 -7.291 1.00 . A A . 4 VAL HG21 1 1 7 4723 1 1 2 VAL HG22 H 3.424 2.909 -9.022 1.00 . A A . 4 VAL HG22 1 1 7 4724 1 1 2 VAL HG23 H 2.794 4.289 -8.123 1.00 . A A . 4 VAL HG23 1 1 7 4725 1 1 2 VAL N N 6.348 5.871 -7.858 1.00 . A A . 4 VAL N 1 1 7 4726 1 1 2 VAL O O 3.438 5.329 -5.938 1.00 . A A . 4 VAL O 1 1 7 4727 1 1 3 SER C C 4.802 7.265 -3.668 1.00 . A A . 5 SER C 1 1 7 4728 1 1 3 SER CA C 4.058 7.774 -4.908 1.00 . A A . 5 SER CA 1 1 7 4729 1 1 3 SER CB C 2.576 7.411 -4.811 1.00 . A A . 5 SER CB 1 1 7 4730 1 1 3 SER H H 5.324 7.656 -6.647 1.00 . A A . 5 SER H 1 1 7 4731 1 1 3 SER HA H 4.158 8.849 -4.965 1.00 . A A . 5 SER HA 1 1 7 4732 1 1 3 SER HB2 H 2.171 7.285 -5.802 1.00 . A A . 5 SER HB2 1 1 7 4733 1 1 3 SER HB3 H 2.470 6.484 -4.263 1.00 . A A . 5 SER HB3 1 1 7 4734 1 1 3 SER HG H 2.423 8.767 -3.425 1.00 . A A . 5 SER HG 1 1 7 4735 1 1 3 SER N N 4.648 7.163 -6.137 1.00 . A A . 5 SER N 1 1 7 4736 1 1 3 SER O O 5.328 8.036 -2.890 1.00 . A A . 5 SER O 1 1 7 4737 1 1 3 SER OG O 1.877 8.456 -4.149 1.00 . A A . 5 SER OG 1 1 7 4738 1 1 4 VAL C C 6.644 4.434 -2.755 1.00 . A A . 6 VAL C 1 1 7 4739 1 1 4 VAL CA C 5.575 5.423 -2.290 1.00 . A A . 6 VAL CA 1 1 7 4740 1 1 4 VAL CB C 4.590 4.699 -1.365 1.00 . A A . 6 VAL CB 1 1 7 4741 1 1 4 VAL CG1 C 4.095 5.660 -0.284 1.00 . A A . 6 VAL CG1 1 1 7 4742 1 1 4 VAL CG2 C 3.398 4.180 -2.176 1.00 . A A . 6 VAL CG2 1 1 7 4743 1 1 4 VAL H H 4.433 5.365 -4.116 1.00 . A A . 6 VAL H 1 1 7 4744 1 1 4 VAL HA H 6.045 6.232 -1.751 1.00 . A A . 6 VAL HA 1 1 7 4745 1 1 4 VAL HB H 5.090 3.868 -0.892 1.00 . A A . 6 VAL HB 1 1 7 4746 1 1 4 VAL HG11 H 4.725 5.576 0.588 1.00 . A A . 6 VAL HG11 1 1 7 4747 1 1 4 VAL HG12 H 3.078 5.413 -0.020 1.00 . A A . 6 VAL HG12 1 1 7 4748 1 1 4 VAL HG13 H 4.133 6.672 -0.659 1.00 . A A . 6 VAL HG13 1 1 7 4749 1 1 4 VAL HG21 H 2.605 3.884 -1.503 1.00 . A A . 6 VAL HG21 1 1 7 4750 1 1 4 VAL HG22 H 3.706 3.327 -2.762 1.00 . A A . 6 VAL HG22 1 1 7 4751 1 1 4 VAL HG23 H 3.040 4.956 -2.833 1.00 . A A . 6 VAL HG23 1 1 7 4752 1 1 4 VAL N N 4.859 5.974 -3.478 1.00 . A A . 6 VAL N 1 1 7 4753 1 1 4 VAL O O 6.619 3.958 -3.873 1.00 . A A . 6 VAL O 1 1 7 4754 1 1 5 ASP C C 8.672 1.987 -1.321 1.00 . A A . 7 ASP C 1 1 7 4755 1 1 5 ASP CA C 8.655 3.167 -2.298 1.00 . A A . 7 ASP CA 1 1 7 4756 1 1 5 ASP CB C 10.006 3.881 -2.258 1.00 . A A . 7 ASP CB 1 1 7 4757 1 1 5 ASP CG C 10.905 3.339 -3.371 1.00 . A A . 7 ASP CG 1 1 7 4758 1 1 5 ASP H H 7.584 4.520 -1.010 1.00 . A A . 7 ASP H 1 1 7 4759 1 1 5 ASP HA H 8.467 2.806 -3.297 1.00 . A A . 7 ASP HA 1 1 7 4760 1 1 5 ASP HB2 H 9.856 4.942 -2.399 1.00 . A A . 7 ASP HB2 1 1 7 4761 1 1 5 ASP HB3 H 10.476 3.707 -1.301 1.00 . A A . 7 ASP HB3 1 1 7 4762 1 1 5 ASP N N 7.583 4.123 -1.906 1.00 . A A . 7 ASP N 1 1 7 4763 1 1 5 ASP O O 8.596 2.159 -0.122 1.00 . A A . 7 ASP O 1 1 7 4764 1 1 5 ASP OD1 O 10.397 3.110 -4.457 1.00 . A A . 7 ASP OD1 1 1 7 4765 1 1 5 ASP OD2 O 12.085 3.162 -3.118 1.00 . A A . 7 ASP OD2 1 1 7 4766 1 1 6 CYS C C 10.269 -0.649 -0.520 1.00 . A A . 8 CYS C 1 1 7 4767 1 1 6 CYS CA C 8.821 -0.406 -0.944 1.00 . A A . 8 CYS CA 1 1 7 4768 1 1 6 CYS CB C 8.297 -1.623 -1.707 1.00 . A A . 8 CYS CB 1 1 7 4769 1 1 6 CYS H H 8.854 0.679 -2.801 1.00 . A A . 8 CYS H 1 1 7 4770 1 1 6 CYS HA H 8.209 -0.231 -0.071 1.00 . A A . 8 CYS HA 1 1 7 4771 1 1 6 CYS HB2 H 8.974 -1.861 -2.514 1.00 . A A . 8 CYS HB2 1 1 7 4772 1 1 6 CYS HB3 H 8.225 -2.465 -1.035 1.00 . A A . 8 CYS HB3 1 1 7 4773 1 1 6 CYS N N 8.784 0.791 -1.832 1.00 . A A . 8 CYS N 1 1 7 4774 1 1 6 CYS O O 10.861 -1.658 -0.848 1.00 . A A . 8 CYS O 1 1 7 4775 1 1 6 CYS SG S 6.659 -1.248 -2.384 1.00 . A A . 8 CYS SG 1 1 7 4776 1 1 7 SER C C 12.633 -1.295 0.903 1.00 . A A . 9 SER C 1 1 7 4777 1 1 7 SER CA C 12.263 0.168 0.638 1.00 . A A . 9 SER CA 1 1 7 4778 1 1 7 SER CB C 12.453 0.977 1.923 1.00 . A A . 9 SER CB 1 1 7 4779 1 1 7 SER H H 10.331 1.096 0.413 1.00 . A A . 9 SER H 1 1 7 4780 1 1 7 SER HA H 12.911 0.565 -0.126 1.00 . A A . 9 SER HA 1 1 7 4781 1 1 7 SER HB2 H 11.491 1.211 2.349 1.00 . A A . 9 SER HB2 1 1 7 4782 1 1 7 SER HB3 H 13.027 0.396 2.632 1.00 . A A . 9 SER HB3 1 1 7 4783 1 1 7 SER HG H 12.818 2.865 2.216 1.00 . A A . 9 SER HG 1 1 7 4784 1 1 7 SER N N 10.840 0.290 0.188 1.00 . A A . 9 SER N 1 1 7 4785 1 1 7 SER O O 13.556 -1.823 0.315 1.00 . A A . 9 SER O 1 1 7 4786 1 1 7 SER OG O 13.135 2.185 1.617 1.00 . A A . 9 SER OG 1 1 7 4787 1 1 8 GLU C C 10.997 -4.182 2.327 1.00 . A A . 10 GLU C 1 1 7 4788 1 1 8 GLU CA C 12.273 -3.379 2.077 1.00 . A A . 10 GLU CA 1 1 7 4789 1 1 8 GLU CB C 13.164 -3.442 3.318 1.00 . A A . 10 GLU CB 1 1 7 4790 1 1 8 GLU CD C 12.750 -3.449 5.784 1.00 . A A . 10 GLU CD 1 1 7 4791 1 1 8 GLU CG C 12.481 -2.706 4.473 1.00 . A A . 10 GLU CG 1 1 7 4792 1 1 8 GLU H H 11.196 -1.519 2.259 1.00 . A A . 10 GLU H 1 1 7 4793 1 1 8 GLU HA H 12.802 -3.800 1.235 1.00 . A A . 10 GLU HA 1 1 7 4794 1 1 8 GLU HB2 H 13.326 -4.474 3.592 1.00 . A A . 10 GLU HB2 1 1 7 4795 1 1 8 GLU HB3 H 14.114 -2.973 3.105 1.00 . A A . 10 GLU HB3 1 1 7 4796 1 1 8 GLU HG2 H 12.873 -1.701 4.540 1.00 . A A . 10 GLU HG2 1 1 7 4797 1 1 8 GLU HG3 H 11.417 -2.667 4.296 1.00 . A A . 10 GLU HG3 1 1 7 4798 1 1 8 GLU N N 11.934 -1.957 1.786 1.00 . A A . 10 GLU N 1 1 7 4799 1 1 8 GLU O O 10.659 -4.493 3.452 1.00 . A A . 10 GLU O 1 1 7 4800 1 1 8 GLU OE1 O 12.700 -4.667 5.771 1.00 . A A . 10 GLU OE1 1 1 7 4801 1 1 8 GLU OE2 O 13.002 -2.785 6.777 1.00 . A A . 10 GLU OE2 1 1 7 4802 1 1 9 TYR C C 9.256 -6.735 0.905 1.00 . A A . 11 TYR C 1 1 7 4803 1 1 9 TYR CA C 9.041 -5.325 1.466 1.00 . A A . 11 TYR CA 1 1 7 4804 1 1 9 TYR CB C 7.889 -4.648 0.723 1.00 . A A . 11 TYR CB 1 1 7 4805 1 1 9 TYR CD1 C 7.903 -2.329 1.704 1.00 . A A . 11 TYR CD1 1 1 7 4806 1 1 9 TYR CD2 C 6.102 -3.835 2.308 1.00 . A A . 11 TYR CD2 1 1 7 4807 1 1 9 TYR CE1 C 7.344 -1.333 2.513 1.00 . A A . 11 TYR CE1 1 1 7 4808 1 1 9 TYR CE2 C 5.540 -2.839 3.117 1.00 . A A . 11 TYR CE2 1 1 7 4809 1 1 9 TYR CG C 7.284 -3.579 1.601 1.00 . A A . 11 TYR CG 1 1 7 4810 1 1 9 TYR CZ C 6.161 -1.587 3.219 1.00 . A A . 11 TYR CZ 1 1 7 4811 1 1 9 TYR H H 10.583 -4.277 0.387 1.00 . A A . 11 TYR H 1 1 7 4812 1 1 9 TYR HA H 8.804 -5.387 2.518 1.00 . A A . 11 TYR HA 1 1 7 4813 1 1 9 TYR HB2 H 8.262 -4.200 -0.186 1.00 . A A . 11 TYR HB2 1 1 7 4814 1 1 9 TYR HB3 H 7.136 -5.383 0.479 1.00 . A A . 11 TYR HB3 1 1 7 4815 1 1 9 TYR HD1 H 8.816 -2.134 1.161 1.00 . A A . 11 TYR HD1 1 1 7 4816 1 1 9 TYR HD2 H 5.623 -4.800 2.230 1.00 . A A . 11 TYR HD2 1 1 7 4817 1 1 9 TYR HE1 H 7.824 -0.369 2.592 1.00 . A A . 11 TYR HE1 1 1 7 4818 1 1 9 TYR HE2 H 4.628 -3.033 3.665 1.00 . A A . 11 TYR HE2 1 1 7 4819 1 1 9 TYR HH H 6.286 -0.290 4.616 1.00 . A A . 11 TYR HH 1 1 7 4820 1 1 9 TYR N N 10.289 -4.531 1.287 1.00 . A A . 11 TYR N 1 1 7 4821 1 1 9 TYR O O 10.167 -6.960 0.133 1.00 . A A . 11 TYR O 1 1 7 4822 1 1 9 TYR OH O 5.607 -0.604 4.015 1.00 . A A . 11 TYR OH 1 1 7 4823 1 1 10 PRO C C 7.838 -7.240 3.686 1.00 . A A . 12 PRO C 1 1 7 4824 1 1 10 PRO CA C 7.310 -7.361 2.254 1.00 . A A . 12 PRO CA 1 1 7 4825 1 1 10 PRO CB C 6.390 -8.575 2.105 1.00 . A A . 12 PRO CB 1 1 7 4826 1 1 10 PRO CD C 8.488 -9.055 0.880 1.00 . A A . 12 PRO CD 1 1 7 4827 1 1 10 PRO CG C 7.266 -9.721 1.543 1.00 . A A . 12 PRO CG 1 1 7 4828 1 1 10 PRO HA H 6.788 -6.465 1.965 1.00 . A A . 12 PRO HA 1 1 7 4829 1 1 10 PRO HB2 H 5.986 -8.853 3.070 1.00 . A A . 12 PRO HB2 1 1 7 4830 1 1 10 PRO HB3 H 5.592 -8.356 1.416 1.00 . A A . 12 PRO HB3 1 1 7 4831 1 1 10 PRO HD2 H 9.403 -9.513 1.229 1.00 . A A . 12 PRO HD2 1 1 7 4832 1 1 10 PRO HD3 H 8.417 -9.116 -0.194 1.00 . A A . 12 PRO HD3 1 1 7 4833 1 1 10 PRO HG2 H 7.585 -10.371 2.346 1.00 . A A . 12 PRO HG2 1 1 7 4834 1 1 10 PRO HG3 H 6.714 -10.282 0.805 1.00 . A A . 12 PRO HG3 1 1 7 4835 1 1 10 PRO N N 8.412 -7.646 1.317 1.00 . A A . 12 PRO N 1 1 7 4836 1 1 10 PRO O O 8.973 -7.568 3.972 1.00 . A A . 12 PRO O 1 1 7 4837 1 1 11 LYS C C 6.816 -7.699 6.866 1.00 . A A . 13 LYS C 1 1 7 4838 1 1 11 LYS CA C 7.472 -6.618 5.999 1.00 . A A . 13 LYS CA 1 1 7 4839 1 1 11 LYS CB C 7.074 -5.232 6.510 1.00 . A A . 13 LYS CB 1 1 7 4840 1 1 11 LYS CD C 7.068 -2.796 5.946 1.00 . A A . 13 LYS CD 1 1 7 4841 1 1 11 LYS CE C 8.313 -1.950 5.661 1.00 . A A . 13 LYS CE 1 1 7 4842 1 1 11 LYS CG C 7.270 -4.207 5.392 1.00 . A A . 13 LYS CG 1 1 7 4843 1 1 11 LYS H H 6.112 -6.506 4.334 1.00 . A A . 13 LYS H 1 1 7 4844 1 1 11 LYS HA H 8.547 -6.723 6.047 1.00 . A A . 13 LYS HA 1 1 7 4845 1 1 11 LYS HB2 H 6.036 -5.246 6.812 1.00 . A A . 13 LYS HB2 1 1 7 4846 1 1 11 LYS HB3 H 7.694 -4.967 7.352 1.00 . A A . 13 LYS HB3 1 1 7 4847 1 1 11 LYS HD2 H 6.208 -2.343 5.474 1.00 . A A . 13 LYS HD2 1 1 7 4848 1 1 11 LYS HD3 H 6.907 -2.848 7.013 1.00 . A A . 13 LYS HD3 1 1 7 4849 1 1 11 LYS HE2 H 9.196 -2.512 5.923 1.00 . A A . 13 LYS HE2 1 1 7 4850 1 1 11 LYS HE3 H 8.344 -1.699 4.611 1.00 . A A . 13 LYS HE3 1 1 7 4851 1 1 11 LYS HG2 H 8.270 -4.297 4.991 1.00 . A A . 13 LYS HG2 1 1 7 4852 1 1 11 LYS HG3 H 6.551 -4.389 4.606 1.00 . A A . 13 LYS HG3 1 1 7 4853 1 1 11 LYS HZ1 H 8.933 -0.008 6.082 1.00 . A A . 13 LYS HZ1 1 1 7 4854 1 1 11 LYS HZ2 H 8.510 -0.915 7.457 1.00 . A A . 13 LYS HZ2 1 1 7 4855 1 1 11 LYS HZ3 H 7.301 -0.302 6.433 1.00 . A A . 13 LYS HZ3 1 1 7 4856 1 1 11 LYS N N 7.021 -6.767 4.588 1.00 . A A . 13 LYS N 1 1 7 4857 1 1 11 LYS NZ N 8.259 -0.699 6.470 1.00 . A A . 13 LYS NZ 1 1 7 4858 1 1 11 LYS O O 5.757 -8.197 6.538 1.00 . A A . 13 LYS O 1 1 7 4859 1 1 12 PRO C C 5.889 -8.489 9.789 1.00 . A A . 14 PRO C 1 1 7 4860 1 1 12 PRO CA C 6.991 -9.056 8.891 1.00 . A A . 14 PRO CA 1 1 7 4861 1 1 12 PRO CB C 8.237 -9.402 9.714 1.00 . A A . 14 PRO CB 1 1 7 4862 1 1 12 PRO CD C 8.761 -7.416 8.333 1.00 . A A . 14 PRO CD 1 1 7 4863 1 1 12 PRO CG C 9.187 -8.188 9.596 1.00 . A A . 14 PRO CG 1 1 7 4864 1 1 12 PRO HA H 6.645 -9.930 8.363 1.00 . A A . 14 PRO HA 1 1 7 4865 1 1 12 PRO HB2 H 7.962 -9.566 10.748 1.00 . A A . 14 PRO HB2 1 1 7 4866 1 1 12 PRO HB3 H 8.716 -10.280 9.312 1.00 . A A . 14 PRO HB3 1 1 7 4867 1 1 12 PRO HD2 H 8.630 -6.366 8.558 1.00 . A A . 14 PRO HD2 1 1 7 4868 1 1 12 PRO HD3 H 9.487 -7.548 7.546 1.00 . A A . 14 PRO HD3 1 1 7 4869 1 1 12 PRO HG2 H 9.091 -7.557 10.469 1.00 . A A . 14 PRO HG2 1 1 7 4870 1 1 12 PRO HG3 H 10.207 -8.524 9.490 1.00 . A A . 14 PRO HG3 1 1 7 4871 1 1 12 PRO N N 7.476 -8.032 7.948 1.00 . A A . 14 PRO N 1 1 7 4872 1 1 12 PRO O O 5.332 -9.183 10.615 1.00 . A A . 14 PRO O 1 1 7 4873 1 1 13 ALA C C 4.220 -5.199 10.021 1.00 . A A . 15 ALA C 1 1 7 4874 1 1 13 ALA CA C 4.504 -6.630 10.484 1.00 . A A . 15 ALA CA 1 1 7 4875 1 1 13 ALA CB C 4.969 -6.608 11.942 1.00 . A A . 15 ALA CB 1 1 7 4876 1 1 13 ALA H H 6.030 -6.688 8.965 1.00 . A A . 15 ALA H 1 1 7 4877 1 1 13 ALA HA H 3.602 -7.219 10.404 1.00 . A A . 15 ALA HA 1 1 7 4878 1 1 13 ALA HB1 H 5.901 -6.068 12.014 1.00 . A A . 15 ALA HB1 1 1 7 4879 1 1 13 ALA HB2 H 5.113 -7.621 12.289 1.00 . A A . 15 ALA HB2 1 1 7 4880 1 1 13 ALA HB3 H 4.223 -6.121 12.552 1.00 . A A . 15 ALA HB3 1 1 7 4881 1 1 13 ALA N N 5.569 -7.233 9.635 1.00 . A A . 15 ALA N 1 1 7 4882 1 1 13 ALA O O 5.024 -4.581 9.350 1.00 . A A . 15 ALA O 1 1 7 4883 1 1 14 CYS C C 2.623 -2.401 11.217 1.00 . A A . 16 CYS C 1 1 7 4884 1 1 14 CYS CA C 2.746 -3.274 9.967 1.00 . A A . 16 CYS CA 1 1 7 4885 1 1 14 CYS CB C 1.416 -3.273 9.210 1.00 . A A . 16 CYS CB 1 1 7 4886 1 1 14 CYS H H 2.452 -5.182 10.924 1.00 . A A . 16 CYS H 1 1 7 4887 1 1 14 CYS HA H 3.526 -2.886 9.330 1.00 . A A . 16 CYS HA 1 1 7 4888 1 1 14 CYS HB2 H 0.662 -3.765 9.805 1.00 . A A . 16 CYS HB2 1 1 7 4889 1 1 14 CYS HB3 H 1.114 -2.256 9.015 1.00 . A A . 16 CYS HB3 1 1 7 4890 1 1 14 CYS N N 3.083 -4.667 10.380 1.00 . A A . 16 CYS N 1 1 7 4891 1 1 14 CYS O O 3.056 -2.773 12.290 1.00 . A A . 16 CYS O 1 1 7 4892 1 1 14 CYS SG S 1.615 -4.153 7.639 1.00 . A A . 16 CYS SG 1 1 7 4893 1 1 15 THR C C 0.422 0.051 12.432 1.00 . A A . 17 THR C 1 1 7 4894 1 1 15 THR CA C 1.889 -0.353 12.277 1.00 . A A . 17 THR CA 1 1 7 4895 1 1 15 THR CB C 2.743 0.902 12.082 1.00 . A A . 17 THR CB 1 1 7 4896 1 1 15 THR CG2 C 4.197 0.593 12.446 1.00 . A A . 17 THR CG2 1 1 7 4897 1 1 15 THR H H 1.692 -0.959 10.219 1.00 . A A . 17 THR H 1 1 7 4898 1 1 15 THR HA H 2.214 -0.876 13.163 1.00 . A A . 17 THR HA 1 1 7 4899 1 1 15 THR HB H 2.376 1.690 12.721 1.00 . A A . 17 THR HB 1 1 7 4900 1 1 15 THR HG1 H 2.970 2.227 10.678 1.00 . A A . 17 THR HG1 1 1 7 4901 1 1 15 THR HG21 H 4.821 1.432 12.182 1.00 . A A . 17 THR HG21 1 1 7 4902 1 1 15 THR HG22 H 4.524 -0.284 11.905 1.00 . A A . 17 THR HG22 1 1 7 4903 1 1 15 THR HG23 H 4.270 0.408 13.508 1.00 . A A . 17 THR HG23 1 1 7 4904 1 1 15 THR N N 2.036 -1.242 11.091 1.00 . A A . 17 THR N 1 1 7 4905 1 1 15 THR O O -0.406 -0.235 11.590 1.00 . A A . 17 THR O 1 1 7 4906 1 1 15 THR OG1 O 2.668 1.317 10.725 1.00 . A A . 17 THR OG1 1 1 7 4907 1 1 16 MET C C -1.655 2.294 12.765 1.00 . A A . 18 MET C 1 1 7 4908 1 1 16 MET CA C -1.321 1.141 13.715 1.00 . A A . 18 MET CA 1 1 7 4909 1 1 16 MET CB C -1.502 1.604 15.163 1.00 . A A . 18 MET CB 1 1 7 4910 1 1 16 MET CE C 0.017 4.829 17.140 1.00 . A A . 18 MET CE 1 1 7 4911 1 1 16 MET CG C -0.786 2.940 15.363 1.00 . A A . 18 MET CG 1 1 7 4912 1 1 16 MET H H 0.776 0.938 14.173 1.00 . A A . 18 MET H 1 1 7 4913 1 1 16 MET HA H -1.979 0.308 13.518 1.00 . A A . 18 MET HA 1 1 7 4914 1 1 16 MET HB2 H -2.554 1.724 15.373 1.00 . A A . 18 MET HB2 1 1 7 4915 1 1 16 MET HB3 H -1.080 0.869 15.832 1.00 . A A . 18 MET HB3 1 1 7 4916 1 1 16 MET HE1 H -0.050 5.144 18.172 1.00 . A A . 18 MET HE1 1 1 7 4917 1 1 16 MET HE2 H -0.780 5.288 16.575 1.00 . A A . 18 MET HE2 1 1 7 4918 1 1 16 MET HE3 H 0.969 5.131 16.727 1.00 . A A . 18 MET HE3 1 1 7 4919 1 1 16 MET HG2 H 0.028 3.022 14.659 1.00 . A A . 18 MET HG2 1 1 7 4920 1 1 16 MET HG3 H -1.483 3.749 15.204 1.00 . A A . 18 MET HG3 1 1 7 4921 1 1 16 MET N N 0.093 0.716 13.506 1.00 . A A . 18 MET N 1 1 7 4922 1 1 16 MET O O -2.768 2.779 12.731 1.00 . A A . 18 MET O 1 1 7 4923 1 1 16 MET SD S -0.133 3.028 17.049 1.00 . A A . 18 MET SD 1 1 7 4924 1 1 17 GLU C C -2.284 3.616 10.310 1.00 . A A . 19 GLU C 1 1 7 4925 1 1 17 GLU CA C -0.966 3.862 11.049 1.00 . A A . 19 GLU CA 1 1 7 4926 1 1 17 GLU CB C 0.177 3.955 10.036 1.00 . A A . 19 GLU CB 1 1 7 4927 1 1 17 GLU CD C 0.635 6.405 9.845 1.00 . A A . 19 GLU CD 1 1 7 4928 1 1 17 GLU CG C -0.013 5.198 9.165 1.00 . A A . 19 GLU CG 1 1 7 4929 1 1 17 GLU H H 0.192 2.339 12.035 1.00 . A A . 19 GLU H 1 1 7 4930 1 1 17 GLU HA H -1.033 4.787 11.602 1.00 . A A . 19 GLU HA 1 1 7 4931 1 1 17 GLU HB2 H 1.117 4.026 10.563 1.00 . A A . 19 GLU HB2 1 1 7 4932 1 1 17 GLU HB3 H 0.178 3.076 9.413 1.00 . A A . 19 GLU HB3 1 1 7 4933 1 1 17 GLU HG2 H 0.448 5.035 8.201 1.00 . A A . 19 GLU HG2 1 1 7 4934 1 1 17 GLU HG3 H -1.069 5.387 9.031 1.00 . A A . 19 GLU HG3 1 1 7 4935 1 1 17 GLU N N -0.701 2.740 11.992 1.00 . A A . 19 GLU N 1 1 7 4936 1 1 17 GLU O O -2.580 2.513 9.897 1.00 . A A . 19 GLU O 1 1 7 4937 1 1 17 GLU OE1 O 0.658 6.431 11.063 1.00 . A A . 19 GLU OE1 1 1 7 4938 1 1 17 GLU OE2 O 1.099 7.282 9.135 1.00 . A A . 19 GLU OE2 1 1 7 4939 1 1 18 TYR C C -4.333 5.242 8.113 1.00 . A A . 20 TYR C 1 1 7 4940 1 1 18 TYR CA C -4.376 4.476 9.431 1.00 . A A . 20 TYR CA 1 1 7 4941 1 1 18 TYR CB C -5.494 5.047 10.290 1.00 . A A . 20 TYR CB 1 1 7 4942 1 1 18 TYR CD1 C -6.982 3.012 10.384 1.00 . A A . 20 TYR CD1 1 1 7 4943 1 1 18 TYR CD2 C -7.808 5.009 9.284 1.00 . A A . 20 TYR CD2 1 1 7 4944 1 1 18 TYR CE1 C -8.184 2.356 10.096 1.00 . A A . 20 TYR CE1 1 1 7 4945 1 1 18 TYR CE2 C -9.011 4.352 8.996 1.00 . A A . 20 TYR CE2 1 1 7 4946 1 1 18 TYR CG C -6.792 4.338 9.979 1.00 . A A . 20 TYR CG 1 1 7 4947 1 1 18 TYR CZ C -9.199 3.026 9.402 1.00 . A A . 20 TYR CZ 1 1 7 4948 1 1 18 TYR H H -2.813 5.520 10.483 1.00 . A A . 20 TYR H 1 1 7 4949 1 1 18 TYR HA H -4.561 3.428 9.241 1.00 . A A . 20 TYR HA 1 1 7 4950 1 1 18 TYR HB2 H -5.248 4.915 11.333 1.00 . A A . 20 TYR HB2 1 1 7 4951 1 1 18 TYR HB3 H -5.594 6.097 10.073 1.00 . A A . 20 TYR HB3 1 1 7 4952 1 1 18 TYR HD1 H -6.199 2.495 10.919 1.00 . A A . 20 TYR HD1 1 1 7 4953 1 1 18 TYR HD2 H -7.662 6.032 8.970 1.00 . A A . 20 TYR HD2 1 1 7 4954 1 1 18 TYR HE1 H -8.330 1.333 10.409 1.00 . A A . 20 TYR HE1 1 1 7 4955 1 1 18 TYR HE2 H -9.794 4.869 8.461 1.00 . A A . 20 TYR HE2 1 1 7 4956 1 1 18 TYR HH H -10.380 1.536 9.576 1.00 . A A . 20 TYR HH 1 1 7 4957 1 1 18 TYR N N -3.076 4.639 10.142 1.00 . A A . 20 TYR N 1 1 7 4958 1 1 18 TYR O O -5.270 5.922 7.743 1.00 . A A . 20 TYR O 1 1 7 4959 1 1 18 TYR OH O -10.385 2.379 9.118 1.00 . A A . 20 TYR OH 1 1 7 4960 1 1 19 ARG C C -3.900 5.096 5.029 1.00 . A A . 21 ARG C 1 1 7 4961 1 1 19 ARG CA C -3.136 5.871 6.111 1.00 . A A . 21 ARG CA 1 1 7 4962 1 1 19 ARG CB C -1.661 5.973 5.718 1.00 . A A . 21 ARG CB 1 1 7 4963 1 1 19 ARG CD C -1.606 8.450 5.413 1.00 . A A . 21 ARG CD 1 1 7 4964 1 1 19 ARG CG C -1.483 7.101 4.704 1.00 . A A . 21 ARG CG 1 1 7 4965 1 1 19 ARG CZ C -2.502 10.643 4.914 1.00 . A A . 21 ARG CZ 1 1 7 4966 1 1 19 ARG H H -2.511 4.597 7.731 1.00 . A A . 21 ARG H 1 1 7 4967 1 1 19 ARG HA H -3.546 6.860 6.220 1.00 . A A . 21 ARG HA 1 1 7 4968 1 1 19 ARG HB2 H -1.067 6.179 6.598 1.00 . A A . 21 ARG HB2 1 1 7 4969 1 1 19 ARG HB3 H -1.340 5.043 5.279 1.00 . A A . 21 ARG HB3 1 1 7 4970 1 1 19 ARG HD2 H -2.245 8.344 6.278 1.00 . A A . 21 ARG HD2 1 1 7 4971 1 1 19 ARG HD3 H -0.627 8.781 5.727 1.00 . A A . 21 ARG HD3 1 1 7 4972 1 1 19 ARG HE H -2.349 9.216 3.542 1.00 . A A . 21 ARG HE 1 1 7 4973 1 1 19 ARG HG2 H -0.508 7.021 4.244 1.00 . A A . 21 ARG HG2 1 1 7 4974 1 1 19 ARG HG3 H -2.245 7.025 3.944 1.00 . A A . 21 ARG HG3 1 1 7 4975 1 1 19 ARG HH11 H -0.607 11.158 5.305 1.00 . A A . 21 ARG HH11 1 1 7 4976 1 1 19 ARG HH12 H -1.797 12.365 5.655 1.00 . A A . 21 ARG HH12 1 1 7 4977 1 1 19 ARG HH21 H -4.468 10.401 4.627 1.00 . A A . 21 ARG HH21 1 1 7 4978 1 1 19 ARG HH22 H -3.989 11.936 5.270 1.00 . A A . 21 ARG HH22 1 1 7 4979 1 1 19 ARG N N -3.250 5.144 7.406 1.00 . A A . 21 ARG N 1 1 7 4980 1 1 19 ARG NE N -2.193 9.452 4.481 1.00 . A A . 21 ARG NE 1 1 7 4981 1 1 19 ARG NH1 N -1.563 11.452 5.323 1.00 . A A . 21 ARG NH1 1 1 7 4982 1 1 19 ARG NH2 N -3.751 11.023 4.939 1.00 . A A . 21 ARG NH2 1 1 7 4983 1 1 19 ARG O O -3.572 3.962 4.741 1.00 . A A . 21 ARG O 1 1 7 4984 1 1 20 PRO C C -5.030 5.129 2.062 1.00 . A A . 22 PRO C 1 1 7 4985 1 1 20 PRO CA C -5.737 5.110 3.420 1.00 . A A . 22 PRO CA 1 1 7 4986 1 1 20 PRO CB C -6.984 5.996 3.387 1.00 . A A . 22 PRO CB 1 1 7 4987 1 1 20 PRO CD C -5.299 7.106 4.818 1.00 . A A . 22 PRO CD 1 1 7 4988 1 1 20 PRO CG C -6.566 7.361 3.980 1.00 . A A . 22 PRO CG 1 1 7 4989 1 1 20 PRO HA H -6.009 4.105 3.694 1.00 . A A . 22 PRO HA 1 1 7 4990 1 1 20 PRO HB2 H -7.323 6.118 2.366 1.00 . A A . 22 PRO HB2 1 1 7 4991 1 1 20 PRO HB3 H -7.765 5.560 3.990 1.00 . A A . 22 PRO HB3 1 1 7 4992 1 1 20 PRO HD2 H -4.521 7.808 4.547 1.00 . A A . 22 PRO HD2 1 1 7 4993 1 1 20 PRO HD3 H -5.522 7.172 5.872 1.00 . A A . 22 PRO HD3 1 1 7 4994 1 1 20 PRO HG2 H -6.352 8.061 3.184 1.00 . A A . 22 PRO HG2 1 1 7 4995 1 1 20 PRO HG3 H -7.350 7.748 4.613 1.00 . A A . 22 PRO HG3 1 1 7 4996 1 1 20 PRO N N -4.901 5.727 4.467 1.00 . A A . 22 PRO N 1 1 7 4997 1 1 20 PRO O O -4.727 6.173 1.519 1.00 . A A . 22 PRO O 1 1 7 4998 1 1 21 LEU C C -4.998 3.115 -0.780 1.00 . A A . 23 LEU C 1 1 7 4999 1 1 21 LEU CA C -4.114 3.917 0.172 1.00 . A A . 23 LEU CA 1 1 7 5000 1 1 21 LEU CB C -2.753 3.229 0.305 1.00 . A A . 23 LEU CB 1 1 7 5001 1 1 21 LEU CD1 C -0.571 3.578 1.469 1.00 . A A . 23 LEU CD1 1 1 7 5002 1 1 21 LEU CD2 C -1.118 4.899 -0.579 1.00 . A A . 23 LEU CD2 1 1 7 5003 1 1 21 LEU CG C -1.694 4.263 0.690 1.00 . A A . 23 LEU CG 1 1 7 5004 1 1 21 LEU H H -5.045 3.148 1.953 1.00 . A A . 23 LEU H 1 1 7 5005 1 1 21 LEU HA H -3.980 4.918 -0.213 1.00 . A A . 23 LEU HA 1 1 7 5006 1 1 21 LEU HB2 H -2.809 2.469 1.073 1.00 . A A . 23 LEU HB2 1 1 7 5007 1 1 21 LEU HB3 H -2.485 2.772 -0.637 1.00 . A A . 23 LEU HB3 1 1 7 5008 1 1 21 LEU HD11 H -0.594 2.515 1.274 1.00 . A A . 23 LEU HD11 1 1 7 5009 1 1 21 LEU HD12 H -0.707 3.754 2.526 1.00 . A A . 23 LEU HD12 1 1 7 5010 1 1 21 LEU HD13 H 0.381 3.981 1.156 1.00 . A A . 23 LEU HD13 1 1 7 5011 1 1 21 LEU HD21 H -1.871 5.513 -1.047 1.00 . A A . 23 LEU HD21 1 1 7 5012 1 1 21 LEU HD22 H -0.812 4.121 -1.262 1.00 . A A . 23 LEU HD22 1 1 7 5013 1 1 21 LEU HD23 H -0.265 5.508 -0.320 1.00 . A A . 23 LEU HD23 1 1 7 5014 1 1 21 LEU HG H -2.145 5.028 1.306 1.00 . A A . 23 LEU HG 1 1 7 5015 1 1 21 LEU N N -4.780 3.977 1.503 1.00 . A A . 23 LEU N 1 1 7 5016 1 1 21 LEU O O -5.201 1.930 -0.601 1.00 . A A . 23 LEU O 1 1 7 5017 1 1 22 CYS C C -5.570 2.394 -3.851 1.00 . A A . 24 CYS C 1 1 7 5018 1 1 22 CYS CA C -6.416 3.000 -2.735 1.00 . A A . 24 CYS CA 1 1 7 5019 1 1 22 CYS CB C -7.435 3.957 -3.351 1.00 . A A . 24 CYS CB 1 1 7 5020 1 1 22 CYS H H -5.370 4.701 -1.919 1.00 . A A . 24 CYS H 1 1 7 5021 1 1 22 CYS HA H -6.934 2.216 -2.203 1.00 . A A . 24 CYS HA 1 1 7 5022 1 1 22 CYS HB2 H -7.931 4.510 -2.568 1.00 . A A . 24 CYS HB2 1 1 7 5023 1 1 22 CYS HB3 H -6.928 4.645 -4.014 1.00 . A A . 24 CYS HB3 1 1 7 5024 1 1 22 CYS N N -5.537 3.744 -1.789 1.00 . A A . 24 CYS N 1 1 7 5025 1 1 22 CYS O O -5.332 3.017 -4.864 1.00 . A A . 24 CYS O 1 1 7 5026 1 1 22 CYS SG S -8.655 3.003 -4.289 1.00 . A A . 24 CYS SG 1 1 7 5027 1 1 23 GLY C C -5.028 0.578 -6.058 1.00 . A A . 25 GLY C 1 1 7 5028 1 1 23 GLY CA C -4.288 0.527 -4.723 1.00 . A A . 25 GLY CA 1 1 7 5029 1 1 23 GLY H H -5.327 0.698 -2.846 1.00 . A A . 25 GLY H 1 1 7 5030 1 1 23 GLY HA2 H -3.345 1.044 -4.808 1.00 . A A . 25 GLY HA2 1 1 7 5031 1 1 23 GLY HA3 H -4.112 -0.504 -4.454 1.00 . A A . 25 GLY HA3 1 1 7 5032 1 1 23 GLY N N -5.118 1.181 -3.672 1.00 . A A . 25 GLY N 1 1 7 5033 1 1 23 GLY O O -6.242 0.545 -6.103 1.00 . A A . 25 GLY O 1 1 7 5034 1 1 24 SER C C -5.969 -0.442 -8.630 1.00 . A A . 26 SER C 1 1 7 5035 1 1 24 SER CA C -4.968 0.712 -8.484 1.00 . A A . 26 SER CA 1 1 7 5036 1 1 24 SER CB C -3.903 0.603 -9.573 1.00 . A A . 26 SER CB 1 1 7 5037 1 1 24 SER H H -3.325 0.681 -7.089 1.00 . A A . 26 SER H 1 1 7 5038 1 1 24 SER HA H -5.489 1.652 -8.587 1.00 . A A . 26 SER HA 1 1 7 5039 1 1 24 SER HB2 H -4.346 0.223 -10.479 1.00 . A A . 26 SER HB2 1 1 7 5040 1 1 24 SER HB3 H -3.482 1.581 -9.763 1.00 . A A . 26 SER HB3 1 1 7 5041 1 1 24 SER HG H -2.950 -1.092 -9.663 1.00 . A A . 26 SER HG 1 1 7 5042 1 1 24 SER N N -4.307 0.657 -7.147 1.00 . A A . 26 SER N 1 1 7 5043 1 1 24 SER O O -6.823 -0.423 -9.493 1.00 . A A . 26 SER O 1 1 7 5044 1 1 24 SER OG O -2.883 -0.289 -9.142 1.00 . A A . 26 SER OG 1 1 7 5045 1 1 25 ASP C C -8.109 -2.281 -7.137 1.00 . A A . 27 ASP C 1 1 7 5046 1 1 25 ASP CA C -6.821 -2.596 -7.906 1.00 . A A . 27 ASP CA 1 1 7 5047 1 1 25 ASP CB C -6.170 -3.849 -7.318 1.00 . A A . 27 ASP CB 1 1 7 5048 1 1 25 ASP CG C -6.143 -3.751 -5.793 1.00 . A A . 27 ASP CG 1 1 7 5049 1 1 25 ASP H H -5.175 -1.452 -7.113 1.00 . A A . 27 ASP H 1 1 7 5050 1 1 25 ASP HA H -7.057 -2.770 -8.945 1.00 . A A . 27 ASP HA 1 1 7 5051 1 1 25 ASP HB2 H -6.736 -4.719 -7.614 1.00 . A A . 27 ASP HB2 1 1 7 5052 1 1 25 ASP HB3 H -5.159 -3.936 -7.687 1.00 . A A . 27 ASP HB3 1 1 7 5053 1 1 25 ASP N N -5.871 -1.449 -7.801 1.00 . A A . 27 ASP N 1 1 7 5054 1 1 25 ASP O O -8.850 -3.169 -6.759 1.00 . A A . 27 ASP O 1 1 7 5055 1 1 25 ASP OD1 O -5.490 -2.854 -5.287 1.00 . A A . 27 ASP OD1 1 1 7 5056 1 1 25 ASP OD2 O -6.777 -4.576 -5.154 1.00 . A A . 27 ASP OD2 1 1 7 5057 1 1 26 ASN C C -9.602 -1.288 -4.769 1.00 . A A . 28 ASN C 1 1 7 5058 1 1 26 ASN CA C -9.625 -0.659 -6.165 1.00 . A A . 28 ASN CA 1 1 7 5059 1 1 26 ASN CB C -10.850 -1.170 -6.929 1.00 . A A . 28 ASN CB 1 1 7 5060 1 1 26 ASN CG C -12.060 -0.292 -6.601 1.00 . A A . 28 ASN CG 1 1 7 5061 1 1 26 ASN H H -7.778 -0.331 -7.215 1.00 . A A . 28 ASN H 1 1 7 5062 1 1 26 ASN HA H -9.682 0.415 -6.073 1.00 . A A . 28 ASN HA 1 1 7 5063 1 1 26 ASN HB2 H -10.652 -1.133 -7.991 1.00 . A A . 28 ASN HB2 1 1 7 5064 1 1 26 ASN HB3 H -11.057 -2.188 -6.638 1.00 . A A . 28 ASN HB3 1 1 7 5065 1 1 26 ASN HD21 H -12.358 0.258 -8.488 1.00 . A A . 28 ASN HD21 1 1 7 5066 1 1 26 ASN HD22 H -13.446 0.910 -7.360 1.00 . A A . 28 ASN HD22 1 1 7 5067 1 1 26 ASN N N -8.384 -1.029 -6.904 1.00 . A A . 28 ASN N 1 1 7 5068 1 1 26 ASN ND2 N -12.672 0.344 -7.563 1.00 . A A . 28 ASN ND2 1 1 7 5069 1 1 26 ASN O O -10.607 -1.759 -4.277 1.00 . A A . 28 ASN O 1 1 7 5070 1 1 26 ASN OD1 O -12.453 -0.183 -5.456 1.00 . A A . 28 ASN OD1 1 1 7 5071 1 1 27 LYS C C -7.955 -0.853 -1.743 1.00 . A A . 29 LYS C 1 1 7 5072 1 1 27 LYS CA C -8.405 -1.906 -2.758 1.00 . A A . 29 LYS CA 1 1 7 5073 1 1 27 LYS CB C -7.413 -3.072 -2.751 1.00 . A A . 29 LYS CB 1 1 7 5074 1 1 27 LYS CD C -8.027 -4.912 -1.174 1.00 . A A . 29 LYS CD 1 1 7 5075 1 1 27 LYS CE C -8.069 -6.441 -1.182 1.00 . A A . 29 LYS CE 1 1 7 5076 1 1 27 LYS CG C -8.176 -4.389 -2.605 1.00 . A A . 29 LYS CG 1 1 7 5077 1 1 27 LYS H H -7.658 -0.918 -4.532 1.00 . A A . 29 LYS H 1 1 7 5078 1 1 27 LYS HA H -9.382 -2.270 -2.484 1.00 . A A . 29 LYS HA 1 1 7 5079 1 1 27 LYS HB2 H -6.857 -3.077 -3.677 1.00 . A A . 29 LYS HB2 1 1 7 5080 1 1 27 LYS HB3 H -6.731 -2.960 -1.922 1.00 . A A . 29 LYS HB3 1 1 7 5081 1 1 27 LYS HD2 H -7.083 -4.579 -0.767 1.00 . A A . 29 LYS HD2 1 1 7 5082 1 1 27 LYS HD3 H -8.836 -4.533 -0.565 1.00 . A A . 29 LYS HD3 1 1 7 5083 1 1 27 LYS HE2 H -8.878 -6.776 -1.814 1.00 . A A . 29 LYS HE2 1 1 7 5084 1 1 27 LYS HE3 H -7.133 -6.825 -1.561 1.00 . A A . 29 LYS HE3 1 1 7 5085 1 1 27 LYS HG2 H -9.222 -4.223 -2.821 1.00 . A A . 29 LYS HG2 1 1 7 5086 1 1 27 LYS HG3 H -7.777 -5.115 -3.295 1.00 . A A . 29 LYS HG3 1 1 7 5087 1 1 27 LYS HZ1 H -9.208 -7.415 0.266 1.00 . A A . 29 LYS HZ1 1 1 7 5088 1 1 27 LYS HZ2 H -8.265 -6.137 0.868 1.00 . A A . 29 LYS HZ2 1 1 7 5089 1 1 27 LYS HZ3 H -7.535 -7.614 0.454 1.00 . A A . 29 LYS HZ3 1 1 7 5090 1 1 27 LYS N N -8.465 -1.302 -4.122 1.00 . A A . 29 LYS N 1 1 7 5091 1 1 27 LYS NZ N -8.285 -6.940 0.207 1.00 . A A . 29 LYS NZ 1 1 7 5092 1 1 27 LYS O O -6.980 -0.164 -1.942 1.00 . A A . 29 LYS O 1 1 7 5093 1 1 28 THR C C -7.259 -0.359 1.342 1.00 . A A . 30 THR C 1 1 7 5094 1 1 28 THR CA C -8.270 0.273 0.380 1.00 . A A . 30 THR CA 1 1 7 5095 1 1 28 THR CB C -9.518 0.727 1.150 1.00 . A A . 30 THR CB 1 1 7 5096 1 1 28 THR CG2 C -9.108 1.396 2.464 1.00 . A A . 30 THR CG2 1 1 7 5097 1 1 28 THR H H -9.444 -1.303 -0.505 1.00 . A A . 30 THR H 1 1 7 5098 1 1 28 THR HA H -7.817 1.125 -0.105 1.00 . A A . 30 THR HA 1 1 7 5099 1 1 28 THR HB H -10.139 -0.129 1.364 1.00 . A A . 30 THR HB 1 1 7 5100 1 1 28 THR HG1 H -11.076 1.244 0.107 1.00 . A A . 30 THR HG1 1 1 7 5101 1 1 28 THR HG21 H -9.993 1.712 2.997 1.00 . A A . 30 THR HG21 1 1 7 5102 1 1 28 THR HG22 H -8.488 2.254 2.255 1.00 . A A . 30 THR HG22 1 1 7 5103 1 1 28 THR HG23 H -8.556 0.691 3.070 1.00 . A A . 30 THR HG23 1 1 7 5104 1 1 28 THR N N -8.660 -0.730 -0.649 1.00 . A A . 30 THR N 1 1 7 5105 1 1 28 THR O O -7.461 -1.450 1.840 1.00 . A A . 30 THR O 1 1 7 5106 1 1 28 THR OG1 O -10.245 1.655 0.356 1.00 . A A . 30 THR OG1 1 1 7 5107 1 1 29 TYR C C -5.055 0.619 3.773 1.00 . A A . 31 TYR C 1 1 7 5108 1 1 29 TYR CA C -5.140 -0.240 2.510 1.00 . A A . 31 TYR CA 1 1 7 5109 1 1 29 TYR CB C -3.800 -0.227 1.783 1.00 . A A . 31 TYR CB 1 1 7 5110 1 1 29 TYR CD1 C -4.238 -2.606 1.082 1.00 . A A . 31 TYR CD1 1 1 7 5111 1 1 29 TYR CD2 C -3.339 -1.058 -0.552 1.00 . A A . 31 TYR CD2 1 1 7 5112 1 1 29 TYR CE1 C -4.237 -3.624 0.120 1.00 . A A . 31 TYR CE1 1 1 7 5113 1 1 29 TYR CE2 C -3.341 -2.074 -1.515 1.00 . A A . 31 TYR CE2 1 1 7 5114 1 1 29 TYR CG C -3.789 -1.324 0.747 1.00 . A A . 31 TYR CG 1 1 7 5115 1 1 29 TYR CZ C -3.790 -3.357 -1.179 1.00 . A A . 31 TYR CZ 1 1 7 5116 1 1 29 TYR H H -6.025 1.184 1.178 1.00 . A A . 31 TYR H 1 1 7 5117 1 1 29 TYR HA H -5.394 -1.252 2.777 1.00 . A A . 31 TYR HA 1 1 7 5118 1 1 29 TYR HB2 H -3.663 0.729 1.297 1.00 . A A . 31 TYR HB2 1 1 7 5119 1 1 29 TYR HB3 H -3.008 -0.388 2.489 1.00 . A A . 31 TYR HB3 1 1 7 5120 1 1 29 TYR HD1 H -4.584 -2.813 2.084 1.00 . A A . 31 TYR HD1 1 1 7 5121 1 1 29 TYR HD2 H -2.992 -0.071 -0.810 1.00 . A A . 31 TYR HD2 1 1 7 5122 1 1 29 TYR HE1 H -4.583 -4.613 0.381 1.00 . A A . 31 TYR HE1 1 1 7 5123 1 1 29 TYR HE2 H -2.992 -1.868 -2.517 1.00 . A A . 31 TYR HE2 1 1 7 5124 1 1 29 TYR HH H -4.640 -4.331 -2.584 1.00 . A A . 31 TYR HH 1 1 7 5125 1 1 29 TYR N N -6.171 0.315 1.597 1.00 . A A . 31 TYR N 1 1 7 5126 1 1 29 TYR O O -5.423 1.777 3.774 1.00 . A A . 31 TYR O 1 1 7 5127 1 1 29 TYR OH O -3.795 -4.357 -2.130 1.00 . A A . 31 TYR OH 1 1 7 5128 1 1 30 GLY C C -3.224 1.726 6.071 1.00 . A A . 32 GLY C 1 1 7 5129 1 1 30 GLY CA C -4.470 0.841 6.112 1.00 . A A . 32 GLY CA 1 1 7 5130 1 1 30 GLY H H -4.286 -0.877 4.826 1.00 . A A . 32 GLY H 1 1 7 5131 1 1 30 GLY HA2 H -5.348 1.462 6.224 1.00 . A A . 32 GLY HA2 1 1 7 5132 1 1 30 GLY HA3 H -4.399 0.166 6.951 1.00 . A A . 32 GLY HA3 1 1 7 5133 1 1 30 GLY N N -4.576 0.060 4.849 1.00 . A A . 32 GLY N 1 1 7 5134 1 1 30 GLY O O -3.146 2.732 6.747 1.00 . A A . 32 GLY O 1 1 7 5135 1 1 31 ASN C C -0.085 1.661 4.125 1.00 . A A . 33 ASN C 1 1 7 5136 1 1 31 ASN CA C -1.015 2.197 5.213 1.00 . A A . 33 ASN CA 1 1 7 5137 1 1 31 ASN CB C -0.298 2.159 6.563 1.00 . A A . 33 ASN CB 1 1 7 5138 1 1 31 ASN CG C -0.200 0.713 7.052 1.00 . A A . 33 ASN CG 1 1 7 5139 1 1 31 ASN H H -2.323 0.552 4.743 1.00 . A A . 33 ASN H 1 1 7 5140 1 1 31 ASN HA H -1.287 3.215 4.981 1.00 . A A . 33 ASN HA 1 1 7 5141 1 1 31 ASN HB2 H 0.695 2.572 6.455 1.00 . A A . 33 ASN HB2 1 1 7 5142 1 1 31 ASN HB3 H -0.853 2.742 7.283 1.00 . A A . 33 ASN HB3 1 1 7 5143 1 1 31 ASN HD21 H 0.004 1.223 8.960 1.00 . A A . 33 ASN HD21 1 1 7 5144 1 1 31 ASN HD22 H 0.016 -0.445 8.649 1.00 . A A . 33 ASN HD22 1 1 7 5145 1 1 31 ASN N N -2.247 1.365 5.283 1.00 . A A . 33 ASN N 1 1 7 5146 1 1 31 ASN ND2 N -0.047 0.477 8.325 1.00 . A A . 33 ASN ND2 1 1 7 5147 1 1 31 ASN O O -0.410 0.732 3.411 1.00 . A A . 33 ASN O 1 1 7 5148 1 1 31 ASN OD1 O -0.263 -0.210 6.266 1.00 . A A . 33 ASN OD1 1 1 7 5149 1 1 32 LYS C C 2.523 0.377 3.287 1.00 . A A . 34 LYS C 1 1 7 5150 1 1 32 LYS CA C 2.036 1.789 2.955 1.00 . A A . 34 LYS CA 1 1 7 5151 1 1 32 LYS CB C 3.228 2.753 2.902 1.00 . A A . 34 LYS CB 1 1 7 5152 1 1 32 LYS CD C 4.960 3.714 4.432 1.00 . A A . 34 LYS CD 1 1 7 5153 1 1 32 LYS CE C 5.850 3.430 5.644 1.00 . A A . 34 LYS CE 1 1 7 5154 1 1 32 LYS CG C 4.205 2.443 4.041 1.00 . A A . 34 LYS CG 1 1 7 5155 1 1 32 LYS H H 1.304 2.992 4.580 1.00 . A A . 34 LYS H 1 1 7 5156 1 1 32 LYS HA H 1.544 1.778 1.992 1.00 . A A . 34 LYS HA 1 1 7 5157 1 1 32 LYS HB2 H 3.733 2.646 1.954 1.00 . A A . 34 LYS HB2 1 1 7 5158 1 1 32 LYS HB3 H 2.871 3.767 3.004 1.00 . A A . 34 LYS HB3 1 1 7 5159 1 1 32 LYS HD2 H 5.572 4.039 3.603 1.00 . A A . 34 LYS HD2 1 1 7 5160 1 1 32 LYS HD3 H 4.253 4.490 4.683 1.00 . A A . 34 LYS HD3 1 1 7 5161 1 1 32 LYS HE2 H 6.354 4.336 5.941 1.00 . A A . 34 LYS HE2 1 1 7 5162 1 1 32 LYS HE3 H 5.242 3.072 6.461 1.00 . A A . 34 LYS HE3 1 1 7 5163 1 1 32 LYS HG2 H 3.658 2.070 4.895 1.00 . A A . 34 LYS HG2 1 1 7 5164 1 1 32 LYS HG3 H 4.911 1.696 3.713 1.00 . A A . 34 LYS HG3 1 1 7 5165 1 1 32 LYS HZ1 H 7.351 2.076 6.148 1.00 . A A . 34 LYS HZ1 1 1 7 5166 1 1 32 LYS HZ2 H 7.553 2.798 4.623 1.00 . A A . 34 LYS HZ2 1 1 7 5167 1 1 32 LYS HZ3 H 6.387 1.582 4.844 1.00 . A A . 34 LYS HZ3 1 1 7 5168 1 1 32 LYS N N 1.072 2.246 3.994 1.00 . A A . 34 LYS N 1 1 7 5169 1 1 32 LYS NZ N 6.862 2.393 5.288 1.00 . A A . 34 LYS NZ 1 1 7 5170 1 1 32 LYS O O 3.086 -0.303 2.457 1.00 . A A . 34 LYS O 1 1 7 5171 1 1 33 CYS C C 1.837 -2.454 4.178 1.00 . A A . 35 CYS C 1 1 7 5172 1 1 33 CYS CA C 2.761 -1.444 4.853 1.00 . A A . 35 CYS CA 1 1 7 5173 1 1 33 CYS CB C 2.700 -1.626 6.368 1.00 . A A . 35 CYS CB 1 1 7 5174 1 1 33 CYS H H 1.851 0.485 5.154 1.00 . A A . 35 CYS H 1 1 7 5175 1 1 33 CYS HA H 3.774 -1.594 4.510 1.00 . A A . 35 CYS HA 1 1 7 5176 1 1 33 CYS HB2 H 3.351 -0.906 6.843 1.00 . A A . 35 CYS HB2 1 1 7 5177 1 1 33 CYS HB3 H 1.686 -1.477 6.709 1.00 . A A . 35 CYS HB3 1 1 7 5178 1 1 33 CYS N N 2.311 -0.073 4.493 1.00 . A A . 35 CYS N 1 1 7 5179 1 1 33 CYS O O 2.270 -3.466 3.667 1.00 . A A . 35 CYS O 1 1 7 5180 1 1 33 CYS SG S 3.243 -3.300 6.797 1.00 . A A . 35 CYS SG 1 1 7 5181 1 1 34 ASN C C -0.430 -2.811 2.013 1.00 . A A . 36 ASN C 1 1 7 5182 1 1 34 ASN CA C -0.399 -3.095 3.517 1.00 . A A . 36 ASN CA 1 1 7 5183 1 1 34 ASN CB C -1.786 -2.855 4.113 1.00 . A A . 36 ASN CB 1 1 7 5184 1 1 34 ASN CG C -2.396 -4.190 4.543 1.00 . A A . 36 ASN CG 1 1 7 5185 1 1 34 ASN H H 0.239 -1.344 4.573 1.00 . A A . 36 ASN H 1 1 7 5186 1 1 34 ASN HA H -0.100 -4.117 3.690 1.00 . A A . 36 ASN HA 1 1 7 5187 1 1 34 ASN HB2 H -1.699 -2.203 4.972 1.00 . A A . 36 ASN HB2 1 1 7 5188 1 1 34 ASN HB3 H -2.415 -2.390 3.374 1.00 . A A . 36 ASN HB3 1 1 7 5189 1 1 34 ASN HD21 H -1.519 -4.174 6.325 1.00 . A A . 36 ASN HD21 1 1 7 5190 1 1 34 ASN HD22 H -2.501 -5.524 6.010 1.00 . A A . 36 ASN HD22 1 1 7 5191 1 1 34 ASN N N 0.563 -2.172 4.164 1.00 . A A . 36 ASN N 1 1 7 5192 1 1 34 ASN ND2 N -2.116 -4.669 5.724 1.00 . A A . 36 ASN ND2 1 1 7 5193 1 1 34 ASN O O -1.027 -3.538 1.246 1.00 . A A . 36 ASN O 1 1 7 5194 1 1 34 ASN OD1 O -3.134 -4.802 3.798 1.00 . A A . 36 ASN OD1 1 1 7 5195 1 1 35 PHE C C 1.396 -2.110 -0.542 1.00 . A A . 37 PHE C 1 1 7 5196 1 1 35 PHE CA C 0.224 -1.405 0.142 1.00 . A A . 37 PHE CA 1 1 7 5197 1 1 35 PHE CB C 0.382 0.109 -0.005 1.00 . A A . 37 PHE CB 1 1 7 5198 1 1 35 PHE CD1 C -0.692 0.029 -2.279 1.00 . A A . 37 PHE CD1 1 1 7 5199 1 1 35 PHE CD2 C 1.367 1.280 -2.008 1.00 . A A . 37 PHE CD2 1 1 7 5200 1 1 35 PHE CE1 C -0.722 0.372 -3.634 1.00 . A A . 37 PHE CE1 1 1 7 5201 1 1 35 PHE CE2 C 1.336 1.623 -3.364 1.00 . A A . 37 PHE CE2 1 1 7 5202 1 1 35 PHE CG C 0.352 0.482 -1.465 1.00 . A A . 37 PHE CG 1 1 7 5203 1 1 35 PHE CZ C 0.291 1.169 -4.178 1.00 . A A . 37 PHE CZ 1 1 7 5204 1 1 35 PHE H H 0.681 -1.182 2.233 1.00 . A A . 37 PHE H 1 1 7 5205 1 1 35 PHE HA H -0.702 -1.720 -0.315 1.00 . A A . 37 PHE HA 1 1 7 5206 1 1 35 PHE HB2 H -0.425 0.608 0.513 1.00 . A A . 37 PHE HB2 1 1 7 5207 1 1 35 PHE HB3 H 1.325 0.414 0.423 1.00 . A A . 37 PHE HB3 1 1 7 5208 1 1 35 PHE HD1 H -1.473 -0.586 -1.861 1.00 . A A . 37 PHE HD1 1 1 7 5209 1 1 35 PHE HD2 H 2.174 1.629 -1.379 1.00 . A A . 37 PHE HD2 1 1 7 5210 1 1 35 PHE HE1 H -1.529 0.022 -4.260 1.00 . A A . 37 PHE HE1 1 1 7 5211 1 1 35 PHE HE2 H 2.119 2.238 -3.783 1.00 . A A . 37 PHE HE2 1 1 7 5212 1 1 35 PHE HZ H 0.267 1.433 -5.224 1.00 . A A . 37 PHE HZ 1 1 7 5213 1 1 35 PHE N N 0.211 -1.753 1.592 1.00 . A A . 37 PHE N 1 1 7 5214 1 1 35 PHE O O 1.227 -2.819 -1.515 1.00 . A A . 37 PHE O 1 1 7 5215 1 1 36 CYS C C 3.632 -4.094 -0.460 1.00 . A A . 38 CYS C 1 1 7 5216 1 1 36 CYS CA C 3.765 -2.584 -0.652 1.00 . A A . 38 CYS CA 1 1 7 5217 1 1 36 CYS CB C 5.040 -2.083 0.028 1.00 . A A . 38 CYS CB 1 1 7 5218 1 1 36 CYS H H 2.695 -1.355 0.745 1.00 . A A . 38 CYS H 1 1 7 5219 1 1 36 CYS HA H 3.801 -2.355 -1.707 1.00 . A A . 38 CYS HA 1 1 7 5220 1 1 36 CYS HB2 H 4.832 -1.872 1.067 1.00 . A A . 38 CYS HB2 1 1 7 5221 1 1 36 CYS HB3 H 5.808 -2.838 -0.040 1.00 . A A . 38 CYS HB3 1 1 7 5222 1 1 36 CYS N N 2.582 -1.923 -0.039 1.00 . A A . 38 CYS N 1 1 7 5223 1 1 36 CYS O O 4.130 -4.878 -1.243 1.00 . A A . 38 CYS O 1 1 7 5224 1 1 36 CYS SG S 5.606 -0.575 -0.796 1.00 . A A . 38 CYS SG 1 1 7 5225 1 1 37 ASN C C 1.728 -6.477 -0.188 1.00 . A A . 39 ASN C 1 1 7 5226 1 1 37 ASN CA C 2.760 -5.962 0.804 1.00 . A A . 39 ASN CA 1 1 7 5227 1 1 37 ASN CB C 2.266 -6.204 2.233 1.00 . A A . 39 ASN CB 1 1 7 5228 1 1 37 ASN CG C 3.394 -6.806 3.072 1.00 . A A . 39 ASN CG 1 1 7 5229 1 1 37 ASN H H 2.542 -3.850 1.182 1.00 . A A . 39 ASN H 1 1 7 5230 1 1 37 ASN HA H 3.692 -6.477 0.640 1.00 . A A . 39 ASN HA 1 1 7 5231 1 1 37 ASN HB2 H 1.952 -5.268 2.667 1.00 . A A . 39 ASN HB2 1 1 7 5232 1 1 37 ASN HB3 H 1.431 -6.890 2.214 1.00 . A A . 39 ASN HB3 1 1 7 5233 1 1 37 ASN HD21 H 2.156 -7.735 4.315 1.00 . A A . 39 ASN HD21 1 1 7 5234 1 1 37 ASN HD22 H 3.808 -7.952 4.641 1.00 . A A . 39 ASN HD22 1 1 7 5235 1 1 37 ASN N N 2.946 -4.504 0.571 1.00 . A A . 39 ASN N 1 1 7 5236 1 1 37 ASN ND2 N 3.095 -7.560 4.094 1.00 . A A . 39 ASN ND2 1 1 7 5237 1 1 37 ASN O O 1.935 -7.466 -0.859 1.00 . A A . 39 ASN O 1 1 7 5238 1 1 37 ASN OD1 O 4.557 -6.588 2.796 1.00 . A A . 39 ASN OD1 1 1 7 5239 1 1 38 ALA C C 0.287 -6.239 -2.664 1.00 . A A . 40 ALA C 1 1 7 5240 1 1 38 ALA CA C -0.388 -6.229 -1.298 1.00 . A A . 40 ALA CA 1 1 7 5241 1 1 38 ALA CB C -1.558 -5.247 -1.304 1.00 . A A . 40 ALA CB 1 1 7 5242 1 1 38 ALA H H 0.493 -4.981 0.217 1.00 . A A . 40 ALA H 1 1 7 5243 1 1 38 ALA HA H -0.738 -7.222 -1.052 1.00 . A A . 40 ALA HA 1 1 7 5244 1 1 38 ALA HB1 H -1.642 -4.794 -2.280 1.00 . A A . 40 ALA HB1 1 1 7 5245 1 1 38 ALA HB2 H -1.386 -4.481 -0.566 1.00 . A A . 40 ALA HB2 1 1 7 5246 1 1 38 ALA HB3 H -2.471 -5.774 -1.070 1.00 . A A . 40 ALA HB3 1 1 7 5247 1 1 38 ALA N N 0.631 -5.792 -0.313 1.00 . A A . 40 ALA N 1 1 7 5248 1 1 38 ALA O O -0.128 -6.921 -3.581 1.00 . A A . 40 ALA O 1 1 7 5249 1 1 39 VAL C C 2.934 -6.704 -4.215 1.00 . A A . 41 VAL C 1 1 7 5250 1 1 39 VAL CA C 2.094 -5.433 -4.073 1.00 . A A . 41 VAL CA 1 1 7 5251 1 1 39 VAL CB C 3.015 -4.208 -4.070 1.00 . A A . 41 VAL CB 1 1 7 5252 1 1 39 VAL CG1 C 3.962 -4.269 -5.268 1.00 . A A . 41 VAL CG1 1 1 7 5253 1 1 39 VAL CG2 C 2.168 -2.937 -4.154 1.00 . A A . 41 VAL CG2 1 1 7 5254 1 1 39 VAL H H 1.657 -4.952 -2.026 1.00 . A A . 41 VAL H 1 1 7 5255 1 1 39 VAL HA H 1.401 -5.363 -4.895 1.00 . A A . 41 VAL HA 1 1 7 5256 1 1 39 VAL HB H 3.591 -4.196 -3.158 1.00 . A A . 41 VAL HB 1 1 7 5257 1 1 39 VAL HG11 H 4.693 -3.478 -5.189 1.00 . A A . 41 VAL HG11 1 1 7 5258 1 1 39 VAL HG12 H 3.397 -4.146 -6.181 1.00 . A A . 41 VAL HG12 1 1 7 5259 1 1 39 VAL HG13 H 4.466 -5.224 -5.281 1.00 . A A . 41 VAL HG13 1 1 7 5260 1 1 39 VAL HG21 H 1.990 -2.690 -5.191 1.00 . A A . 41 VAL HG21 1 1 7 5261 1 1 39 VAL HG22 H 2.692 -2.124 -3.675 1.00 . A A . 41 VAL HG22 1 1 7 5262 1 1 39 VAL HG23 H 1.223 -3.099 -3.657 1.00 . A A . 41 VAL HG23 1 1 7 5263 1 1 39 VAL N N 1.347 -5.484 -2.790 1.00 . A A . 41 VAL N 1 1 7 5264 1 1 39 VAL O O 3.099 -7.229 -5.298 1.00 . A A . 41 VAL O 1 1 7 5265 1 1 40 VAL C C 3.368 -9.662 -3.331 1.00 . A A . 42 VAL C 1 1 7 5266 1 1 40 VAL CA C 4.290 -8.444 -3.212 1.00 . A A . 42 VAL CA 1 1 7 5267 1 1 40 VAL CB C 5.153 -8.575 -1.954 1.00 . A A . 42 VAL CB 1 1 7 5268 1 1 40 VAL CG1 C 6.172 -9.699 -2.151 1.00 . A A . 42 VAL CG1 1 1 7 5269 1 1 40 VAL CG2 C 5.895 -7.261 -1.702 1.00 . A A . 42 VAL CG2 1 1 7 5270 1 1 40 VAL H H 3.320 -6.765 -2.260 1.00 . A A . 42 VAL H 1 1 7 5271 1 1 40 VAL HA H 4.927 -8.393 -4.082 1.00 . A A . 42 VAL HA 1 1 7 5272 1 1 40 VAL HB H 4.524 -8.806 -1.106 1.00 . A A . 42 VAL HB 1 1 7 5273 1 1 40 VAL HG11 H 7.051 -9.308 -2.642 1.00 . A A . 42 VAL HG11 1 1 7 5274 1 1 40 VAL HG12 H 5.738 -10.477 -2.762 1.00 . A A . 42 VAL HG12 1 1 7 5275 1 1 40 VAL HG13 H 6.449 -10.109 -1.191 1.00 . A A . 42 VAL HG13 1 1 7 5276 1 1 40 VAL HG21 H 6.939 -7.467 -1.520 1.00 . A A . 42 VAL HG21 1 1 7 5277 1 1 40 VAL HG22 H 5.471 -6.767 -0.842 1.00 . A A . 42 VAL HG22 1 1 7 5278 1 1 40 VAL HG23 H 5.800 -6.622 -2.568 1.00 . A A . 42 VAL HG23 1 1 7 5279 1 1 40 VAL N N 3.465 -7.204 -3.129 1.00 . A A . 42 VAL N 1 1 7 5280 1 1 40 VAL O O 3.773 -10.717 -3.777 1.00 . A A . 42 VAL O 1 1 7 5281 1 1 41 GLU C C 0.600 -10.728 -4.451 1.00 . A A . 43 GLU C 1 1 7 5282 1 1 41 GLU CA C 1.188 -10.677 -3.039 1.00 . A A . 43 GLU CA 1 1 7 5283 1 1 41 GLU CB C 0.056 -10.505 -2.021 1.00 . A A . 43 GLU CB 1 1 7 5284 1 1 41 GLU CD C 0.473 -11.715 0.125 1.00 . A A . 43 GLU CD 1 1 7 5285 1 1 41 GLU CG C 0.645 -10.386 -0.613 1.00 . A A . 43 GLU CG 1 1 7 5286 1 1 41 GLU H H 1.817 -8.667 -2.585 1.00 . A A . 43 GLU H 1 1 7 5287 1 1 41 GLU HA H 1.720 -11.595 -2.836 1.00 . A A . 43 GLU HA 1 1 7 5288 1 1 41 GLU HB2 H -0.506 -9.614 -2.253 1.00 . A A . 43 GLU HB2 1 1 7 5289 1 1 41 GLU HB3 H -0.598 -11.365 -2.062 1.00 . A A . 43 GLU HB3 1 1 7 5290 1 1 41 GLU HG2 H 1.698 -10.145 -0.683 1.00 . A A . 43 GLU HG2 1 1 7 5291 1 1 41 GLU HG3 H 0.132 -9.606 -0.072 1.00 . A A . 43 GLU HG3 1 1 7 5292 1 1 41 GLU N N 2.129 -9.527 -2.940 1.00 . A A . 43 GLU N 1 1 7 5293 1 1 41 GLU O O 0.292 -11.784 -4.968 1.00 . A A . 43 GLU O 1 1 7 5294 1 1 41 GLU OE1 O -0.657 -12.158 0.252 1.00 . A A . 43 GLU OE1 1 1 7 5295 1 1 41 GLU OE2 O 1.475 -12.266 0.553 1.00 . A A . 43 GLU OE2 1 1 7 5296 1 1 42 SER C C 0.976 -9.917 -7.468 1.00 . A A . 44 SER C 1 1 7 5297 1 1 42 SER CA C -0.123 -9.573 -6.458 1.00 . A A . 44 SER CA 1 1 7 5298 1 1 42 SER CB C -0.671 -8.178 -6.758 1.00 . A A . 44 SER CB 1 1 7 5299 1 1 42 SER H H 0.699 -8.755 -4.643 1.00 . A A . 44 SER H 1 1 7 5300 1 1 42 SER HA H -0.920 -10.298 -6.532 1.00 . A A . 44 SER HA 1 1 7 5301 1 1 42 SER HB2 H -0.503 -7.533 -5.912 1.00 . A A . 44 SER HB2 1 1 7 5302 1 1 42 SER HB3 H -0.164 -7.772 -7.624 1.00 . A A . 44 SER HB3 1 1 7 5303 1 1 42 SER HG H -2.228 -7.958 -7.905 1.00 . A A . 44 SER HG 1 1 7 5304 1 1 42 SER N N 0.443 -9.595 -5.078 1.00 . A A . 44 SER N 1 1 7 5305 1 1 42 SER O O 0.729 -10.044 -8.652 1.00 . A A . 44 SER O 1 1 7 5306 1 1 42 SER OG O -2.067 -8.264 -7.010 1.00 . A A . 44 SER OG 1 1 7 5307 1 1 43 ASN C C 3.733 -9.141 -8.692 1.00 . A A . 45 ASN C 1 1 7 5308 1 1 43 ASN CA C 3.307 -10.399 -7.936 1.00 . A A . 45 ASN CA 1 1 7 5309 1 1 43 ASN CB C 2.855 -11.466 -8.933 1.00 . A A . 45 ASN CB 1 1 7 5310 1 1 43 ASN CG C 4.067 -12.292 -9.372 1.00 . A A . 45 ASN CG 1 1 7 5311 1 1 43 ASN H H 2.366 -9.958 -6.052 1.00 . A A . 45 ASN H 1 1 7 5312 1 1 43 ASN HA H 4.145 -10.772 -7.365 1.00 . A A . 45 ASN HA 1 1 7 5313 1 1 43 ASN HB2 H 2.127 -12.112 -8.466 1.00 . A A . 45 ASN HB2 1 1 7 5314 1 1 43 ASN HB3 H 2.414 -10.991 -9.797 1.00 . A A . 45 ASN HB3 1 1 7 5315 1 1 43 ASN HD21 H 4.147 -11.477 -11.181 1.00 . A A . 45 ASN HD21 1 1 7 5316 1 1 43 ASN HD22 H 5.333 -12.648 -10.860 1.00 . A A . 45 ASN HD22 1 1 7 5317 1 1 43 ASN N N 2.188 -10.066 -7.009 1.00 . A A . 45 ASN N 1 1 7 5318 1 1 43 ASN ND2 N 4.555 -12.126 -10.571 1.00 . A A . 45 ASN ND2 1 1 7 5319 1 1 43 ASN O O 4.356 -9.212 -9.734 1.00 . A A . 45 ASN O 1 1 7 5320 1 1 43 ASN OD1 O 4.575 -13.096 -8.616 1.00 . A A . 45 ASN OD1 1 1 7 5321 1 1 44 GLY C C 2.622 -6.227 -9.719 1.00 . A A . 46 GLY C 1 1 7 5322 1 1 44 GLY CA C 3.789 -6.726 -8.867 1.00 . A A . 46 GLY CA 1 1 7 5323 1 1 44 GLY H H 2.901 -7.955 -7.336 1.00 . A A . 46 GLY H 1 1 7 5324 1 1 44 GLY HA2 H 4.043 -5.978 -8.127 1.00 . A A . 46 GLY HA2 1 1 7 5325 1 1 44 GLY HA3 H 4.642 -6.909 -9.502 1.00 . A A . 46 GLY HA3 1 1 7 5326 1 1 44 GLY N N 3.402 -7.989 -8.177 1.00 . A A . 46 GLY N 1 1 7 5327 1 1 44 GLY O O 2.661 -5.145 -10.268 1.00 . A A . 46 GLY O 1 1 7 5328 1 1 45 THR C C -0.551 -5.770 -9.778 1.00 . A A . 47 THR C 1 1 7 5329 1 1 45 THR CA C 0.415 -6.573 -10.652 1.00 . A A . 47 THR CA 1 1 7 5330 1 1 45 THR CB C -0.301 -7.804 -11.210 1.00 . A A . 47 THR CB 1 1 7 5331 1 1 45 THR CG2 C 0.662 -8.588 -12.102 1.00 . A A . 47 THR CG2 1 1 7 5332 1 1 45 THR H H 1.568 -7.877 -9.385 1.00 . A A . 47 THR H 1 1 7 5333 1 1 45 THR HA H 0.757 -5.955 -11.470 1.00 . A A . 47 THR HA 1 1 7 5334 1 1 45 THR HB H -1.154 -7.493 -11.793 1.00 . A A . 47 THR HB 1 1 7 5335 1 1 45 THR HG1 H -1.393 -8.139 -9.635 1.00 . A A . 47 THR HG1 1 1 7 5336 1 1 45 THR HG21 H 0.252 -9.569 -12.299 1.00 . A A . 47 THR HG21 1 1 7 5337 1 1 45 THR HG22 H 1.614 -8.689 -11.601 1.00 . A A . 47 THR HG22 1 1 7 5338 1 1 45 THR HG23 H 0.800 -8.061 -13.033 1.00 . A A . 47 THR HG23 1 1 7 5339 1 1 45 THR N N 1.582 -7.007 -9.836 1.00 . A A . 47 THR N 1 1 7 5340 1 1 45 THR O O -1.755 -5.892 -9.888 1.00 . A A . 47 THR O 1 1 7 5341 1 1 45 THR OG1 O -0.733 -8.626 -10.134 1.00 . A A . 47 THR OG1 1 1 7 5342 1 1 46 LEU C C -0.195 -2.827 -7.674 1.00 . A A . 48 LEU C 1 1 7 5343 1 1 46 LEU CA C -0.909 -4.129 -8.029 1.00 . A A . 48 LEU CA 1 1 7 5344 1 1 46 LEU CB C -1.223 -4.907 -6.750 1.00 . A A . 48 LEU CB 1 1 7 5345 1 1 46 LEU CD1 C -3.516 -5.218 -5.815 1.00 . A A . 48 LEU CD1 1 1 7 5346 1 1 46 LEU CD2 C -1.881 -3.733 -4.646 1.00 . A A . 48 LEU CD2 1 1 7 5347 1 1 46 LEU CG C -2.371 -4.223 -6.011 1.00 . A A . 48 LEU CG 1 1 7 5348 1 1 46 LEU H H 0.943 -4.862 -8.840 1.00 . A A . 48 LEU H 1 1 7 5349 1 1 46 LEU HA H -1.830 -3.900 -8.547 1.00 . A A . 48 LEU HA 1 1 7 5350 1 1 46 LEU HB2 H -1.507 -5.917 -7.004 1.00 . A A . 48 LEU HB2 1 1 7 5351 1 1 46 LEU HB3 H -0.350 -4.925 -6.117 1.00 . A A . 48 LEU HB3 1 1 7 5352 1 1 46 LEU HD11 H -4.174 -5.182 -6.671 1.00 . A A . 48 LEU HD11 1 1 7 5353 1 1 46 LEU HD12 H -4.070 -4.959 -4.923 1.00 . A A . 48 LEU HD12 1 1 7 5354 1 1 46 LEU HD13 H -3.114 -6.214 -5.711 1.00 . A A . 48 LEU HD13 1 1 7 5355 1 1 46 LEU HD21 H -1.300 -4.511 -4.172 1.00 . A A . 48 LEU HD21 1 1 7 5356 1 1 46 LEU HD22 H -2.728 -3.486 -4.025 1.00 . A A . 48 LEU HD22 1 1 7 5357 1 1 46 LEU HD23 H -1.265 -2.855 -4.779 1.00 . A A . 48 LEU HD23 1 1 7 5358 1 1 46 LEU HG H -2.722 -3.382 -6.592 1.00 . A A . 48 LEU HG 1 1 7 5359 1 1 46 LEU N N -0.029 -4.946 -8.911 1.00 . A A . 48 LEU N 1 1 7 5360 1 1 46 LEU O O 0.680 -2.795 -6.833 1.00 . A A . 48 LEU O 1 1 7 5361 1 1 47 THR C C -0.798 0.383 -7.117 1.00 . A A . 49 THR C 1 1 7 5362 1 1 47 THR CA C 0.100 -0.453 -8.025 1.00 . A A . 49 THR CA 1 1 7 5363 1 1 47 THR CB C 0.342 0.300 -9.336 1.00 . A A . 49 THR CB 1 1 7 5364 1 1 47 THR CG2 C 1.094 -0.605 -10.315 1.00 . A A . 49 THR CG2 1 1 7 5365 1 1 47 THR H H -1.265 -1.806 -8.994 1.00 . A A . 49 THR H 1 1 7 5366 1 1 47 THR HA H 1.042 -0.623 -7.531 1.00 . A A . 49 THR HA 1 1 7 5367 1 1 47 THR HB H 0.936 1.180 -9.143 1.00 . A A . 49 THR HB 1 1 7 5368 1 1 47 THR HG1 H -0.856 0.561 -10.849 1.00 . A A . 49 THR HG1 1 1 7 5369 1 1 47 THR HG21 H 1.006 -0.205 -11.316 1.00 . A A . 49 THR HG21 1 1 7 5370 1 1 47 THR HG22 H 0.669 -1.598 -10.287 1.00 . A A . 49 THR HG22 1 1 7 5371 1 1 47 THR HG23 H 2.136 -0.649 -10.037 1.00 . A A . 49 THR HG23 1 1 7 5372 1 1 47 THR N N -0.559 -1.755 -8.317 1.00 . A A . 49 THR N 1 1 7 5373 1 1 47 THR O O -1.580 -0.137 -6.347 1.00 . A A . 49 THR O 1 1 7 5374 1 1 47 THR OG1 O -0.906 0.684 -9.898 1.00 . A A . 49 THR OG1 1 1 7 5375 1 1 48 LEU C C -2.551 3.253 -7.247 1.00 . A A . 50 LEU C 1 1 7 5376 1 1 48 LEU CA C -1.504 2.570 -6.359 1.00 . A A . 50 LEU CA 1 1 7 5377 1 1 48 LEU CB C -0.559 3.589 -5.674 1.00 . A A . 50 LEU CB 1 1 7 5378 1 1 48 LEU CD1 C -1.784 5.606 -4.846 1.00 . A A . 50 LEU CD1 1 1 7 5379 1 1 48 LEU CD2 C 0.358 5.873 -6.079 1.00 . A A . 50 LEU CD2 1 1 7 5380 1 1 48 LEU CG C -0.926 5.051 -5.980 1.00 . A A . 50 LEU CG 1 1 7 5381 1 1 48 LEU H H -0.039 2.053 -7.830 1.00 . A A . 50 LEU H 1 1 7 5382 1 1 48 LEU HA H -2.005 1.986 -5.603 1.00 . A A . 50 LEU HA 1 1 7 5383 1 1 48 LEU HB2 H -0.600 3.438 -4.607 1.00 . A A . 50 LEU HB2 1 1 7 5384 1 1 48 LEU HB3 H 0.450 3.404 -6.012 1.00 . A A . 50 LEU HB3 1 1 7 5385 1 1 48 LEU HD11 H -1.227 5.567 -3.923 1.00 . A A . 50 LEU HD11 1 1 7 5386 1 1 48 LEU HD12 H -2.679 5.014 -4.748 1.00 . A A . 50 LEU HD12 1 1 7 5387 1 1 48 LEU HD13 H -2.050 6.630 -5.062 1.00 . A A . 50 LEU HD13 1 1 7 5388 1 1 48 LEU HD21 H 0.432 6.308 -7.065 1.00 . A A . 50 LEU HD21 1 1 7 5389 1 1 48 LEU HD22 H 1.210 5.233 -5.903 1.00 . A A . 50 LEU HD22 1 1 7 5390 1 1 48 LEU HD23 H 0.340 6.659 -5.341 1.00 . A A . 50 LEU HD23 1 1 7 5391 1 1 48 LEU HG H -1.464 5.120 -6.909 1.00 . A A . 50 LEU HG 1 1 7 5392 1 1 48 LEU N N -0.679 1.672 -7.206 1.00 . A A . 50 LEU N 1 1 7 5393 1 1 48 LEU O O -2.430 3.282 -8.456 1.00 . A A . 50 LEU O 1 1 7 5394 1 1 49 SER C C -4.726 5.946 -6.991 1.00 . A A . 51 SER C 1 1 7 5395 1 1 49 SER CA C -4.614 4.496 -7.463 1.00 . A A . 51 SER CA 1 1 7 5396 1 1 49 SER CB C -5.956 3.784 -7.281 1.00 . A A . 51 SER CB 1 1 7 5397 1 1 49 SER H H -3.645 3.780 -5.684 1.00 . A A . 51 SER H 1 1 7 5398 1 1 49 SER HA H -4.334 4.477 -8.507 1.00 . A A . 51 SER HA 1 1 7 5399 1 1 49 SER HB2 H -6.481 3.754 -8.221 1.00 . A A . 51 SER HB2 1 1 7 5400 1 1 49 SER HB3 H -5.782 2.773 -6.936 1.00 . A A . 51 SER HB3 1 1 7 5401 1 1 49 SER HG H -7.608 4.082 -6.301 1.00 . A A . 51 SER HG 1 1 7 5402 1 1 49 SER N N -3.571 3.809 -6.658 1.00 . A A . 51 SER N 1 1 7 5403 1 1 49 SER O O -4.903 6.855 -7.777 1.00 . A A . 51 SER O 1 1 7 5404 1 1 49 SER OG O -6.741 4.493 -6.332 1.00 . A A . 51 SER OG 1 1 7 5405 1 1 50 HIS C C -4.564 7.494 -3.648 1.00 . A A . 52 HIS C 1 1 7 5406 1 1 50 HIS CA C -4.682 7.551 -5.175 1.00 . A A . 52 HIS CA 1 1 7 5407 1 1 50 HIS CB C -6.004 8.213 -5.616 1.00 . A A . 52 HIS CB 1 1 7 5408 1 1 50 HIS CD2 C -7.534 8.818 -3.563 1.00 . A A . 52 HIS CD2 1 1 7 5409 1 1 50 HIS CE1 C -8.723 7.008 -3.511 1.00 . A A . 52 HIS CE1 1 1 7 5410 1 1 50 HIS CG C -7.085 8.017 -4.585 1.00 . A A . 52 HIS CG 1 1 7 5411 1 1 50 HIS H H -4.446 5.420 -5.097 1.00 . A A . 52 HIS H 1 1 7 5412 1 1 50 HIS HA H -3.851 8.122 -5.566 1.00 . A A . 52 HIS HA 1 1 7 5413 1 1 50 HIS HB2 H -5.841 9.271 -5.757 1.00 . A A . 52 HIS HB2 1 1 7 5414 1 1 50 HIS HB3 H -6.323 7.777 -6.551 1.00 . A A . 52 HIS HB3 1 1 7 5415 1 1 50 HIS HD1 H -7.786 6.094 -5.128 1.00 . A A . 52 HIS HD1 1 1 7 5416 1 1 50 HIS HD2 H -7.142 9.796 -3.322 1.00 . A A . 52 HIS HD2 1 1 7 5417 1 1 50 HIS HE1 H -9.454 6.264 -3.230 1.00 . A A . 52 HIS HE1 1 1 7 5418 1 1 50 HIS N N -4.603 6.168 -5.710 1.00 . A A . 52 HIS N 1 1 7 5419 1 1 50 HIS ND1 N -7.857 6.867 -4.532 1.00 . A A . 52 HIS ND1 1 1 7 5420 1 1 50 HIS NE2 N -8.568 8.179 -2.887 1.00 . A A . 52 HIS NE2 1 1 7 5421 1 1 50 HIS O O -5.433 6.996 -2.959 1.00 . A A . 52 HIS O 1 1 7 5422 1 1 51 PHE C C -4.581 8.357 -0.949 1.00 . A A . 53 PHE C 1 1 7 5423 1 1 51 PHE CA C -3.282 7.955 -1.646 1.00 . A A . 53 PHE CA 1 1 7 5424 1 1 51 PHE CB C -2.160 8.924 -1.267 1.00 . A A . 53 PHE CB 1 1 7 5425 1 1 51 PHE CD1 C -0.595 7.408 -2.530 1.00 . A A . 53 PHE CD1 1 1 7 5426 1 1 51 PHE CD2 C 0.174 8.399 -0.455 1.00 . A A . 53 PHE CD2 1 1 7 5427 1 1 51 PHE CE1 C 0.637 6.758 -2.678 1.00 . A A . 53 PHE CE1 1 1 7 5428 1 1 51 PHE CE2 C 1.406 7.748 -0.604 1.00 . A A . 53 PHE CE2 1 1 7 5429 1 1 51 PHE CG C -0.827 8.229 -1.420 1.00 . A A . 53 PHE CG 1 1 7 5430 1 1 51 PHE CZ C 1.635 6.930 -1.716 1.00 . A A . 53 PHE CZ 1 1 7 5431 1 1 51 PHE H H -2.791 8.363 -3.697 1.00 . A A . 53 PHE H 1 1 7 5432 1 1 51 PHE HA H -3.008 6.956 -1.343 1.00 . A A . 53 PHE HA 1 1 7 5433 1 1 51 PHE HB2 H -2.194 9.787 -1.918 1.00 . A A . 53 PHE HB2 1 1 7 5434 1 1 51 PHE HB3 H -2.287 9.239 -0.247 1.00 . A A . 53 PHE HB3 1 1 7 5435 1 1 51 PHE HD1 H -1.364 7.280 -3.273 1.00 . A A . 53 PHE HD1 1 1 7 5436 1 1 51 PHE HD2 H -0.004 9.030 0.404 1.00 . A A . 53 PHE HD2 1 1 7 5437 1 1 51 PHE HE1 H 0.816 6.123 -3.536 1.00 . A A . 53 PHE HE1 1 1 7 5438 1 1 51 PHE HE2 H 2.181 7.875 0.139 1.00 . A A . 53 PHE HE2 1 1 7 5439 1 1 51 PHE HZ H 2.583 6.433 -1.831 1.00 . A A . 53 PHE HZ 1 1 7 5440 1 1 51 PHE N N -3.481 7.985 -3.121 1.00 . A A . 53 PHE N 1 1 7 5441 1 1 51 PHE O O -4.866 9.524 -0.758 1.00 . A A . 53 PHE O 1 1 7 5442 1 1 52 GLY C C -7.614 6.509 -0.086 1.00 . A A . 54 GLY C 1 1 7 5443 1 1 52 GLY CA C -6.666 7.694 0.098 1.00 . A A . 54 GLY CA 1 1 7 5444 1 1 52 GLY H H -5.123 6.461 -0.751 1.00 . A A . 54 GLY H 1 1 7 5445 1 1 52 GLY HA2 H -6.492 7.863 1.153 1.00 . A A . 54 GLY HA2 1 1 7 5446 1 1 52 GLY HA3 H -7.108 8.576 -0.341 1.00 . A A . 54 GLY HA3 1 1 7 5447 1 1 52 GLY N N -5.375 7.392 -0.578 1.00 . A A . 54 GLY N 1 1 7 5448 1 1 52 GLY O O -7.334 5.590 -0.830 1.00 . A A . 54 GLY O 1 1 7 5449 1 1 53 LYS C C -10.577 5.611 -0.782 1.00 . A A . 55 LYS C 1 1 7 5450 1 1 53 LYS CA C -9.690 5.384 0.445 1.00 . A A . 55 LYS CA 1 1 7 5451 1 1 53 LYS CB C -10.562 5.302 1.700 1.00 . A A . 55 LYS CB 1 1 7 5452 1 1 53 LYS CD C -12.522 4.170 2.754 1.00 . A A . 55 LYS CD 1 1 7 5453 1 1 53 LYS CE C -13.850 4.920 2.635 1.00 . A A . 55 LYS CE 1 1 7 5454 1 1 53 LYS CG C -11.722 4.335 1.459 1.00 . A A . 55 LYS CG 1 1 7 5455 1 1 53 LYS H H -8.941 7.265 1.182 1.00 . A A . 55 LYS H 1 1 7 5456 1 1 53 LYS HA H -9.140 4.460 0.325 1.00 . A A . 55 LYS HA 1 1 7 5457 1 1 53 LYS HB2 H -9.965 4.949 2.529 1.00 . A A . 55 LYS HB2 1 1 7 5458 1 1 53 LYS HB3 H -10.953 6.280 1.930 1.00 . A A . 55 LYS HB3 1 1 7 5459 1 1 53 LYS HD2 H -12.715 3.122 2.927 1.00 . A A . 55 LYS HD2 1 1 7 5460 1 1 53 LYS HD3 H -11.956 4.576 3.577 1.00 . A A . 55 LYS HD3 1 1 7 5461 1 1 53 LYS HE2 H -13.657 5.969 2.455 1.00 . A A . 55 LYS HE2 1 1 7 5462 1 1 53 LYS HE3 H -14.423 4.513 1.815 1.00 . A A . 55 LYS HE3 1 1 7 5463 1 1 53 LYS HG2 H -12.364 4.727 0.683 1.00 . A A . 55 LYS HG2 1 1 7 5464 1 1 53 LYS HG3 H -11.334 3.374 1.154 1.00 . A A . 55 LYS HG3 1 1 7 5465 1 1 53 LYS HZ1 H -15.636 4.844 3.702 1.00 . A A . 55 LYS HZ1 1 1 7 5466 1 1 53 LYS HZ2 H -14.338 5.513 4.570 1.00 . A A . 55 LYS HZ2 1 1 7 5467 1 1 53 LYS HZ3 H -14.421 3.835 4.318 1.00 . A A . 55 LYS HZ3 1 1 7 5468 1 1 53 LYS N N -8.732 6.516 0.585 1.00 . A A . 55 LYS N 1 1 7 5469 1 1 53 LYS NZ N -14.620 4.766 3.902 1.00 . A A . 55 LYS NZ 1 1 7 5470 1 1 53 LYS O O -10.833 6.731 -1.176 1.00 . A A . 55 LYS O 1 1 7 5471 1 1 54 CYS C C -13.381 4.509 -2.185 1.00 . A A . 56 CYS C 1 1 7 5472 1 1 54 CYS CA C -11.918 4.711 -2.587 1.00 . A A . 56 CYS CA 1 1 7 5473 1 1 54 CYS CB C -11.529 3.673 -3.641 1.00 . A A . 56 CYS CB 1 1 7 5474 1 1 54 CYS H H -10.830 3.660 -1.052 1.00 . A A . 56 CYS H 1 1 7 5475 1 1 54 CYS HA H -11.791 5.703 -2.995 1.00 . A A . 56 CYS HA 1 1 7 5476 1 1 54 CYS HB2 H -11.225 2.758 -3.151 1.00 . A A . 56 CYS HB2 1 1 7 5477 1 1 54 CYS HB3 H -12.376 3.474 -4.282 1.00 . A A . 56 CYS HB3 1 1 7 5478 1 1 54 CYS N N -11.048 4.555 -1.387 1.00 . A A . 56 CYS N 1 1 7 5479 1 1 54 CYS O O -13.684 3.464 -1.633 1.00 . A A . 56 CYS O 1 1 7 5480 1 1 54 CYS OXT O -14.172 5.403 -2.436 1.00 . A A . 56 CYS OXT 1 1 7 5481 1 1 54 CYS SG S -10.156 4.309 -4.633 1.00 . A A . 56 CYS SG 1 1 8 5482 1 1 1 ALA C C -0.310 2.323 -3.292 1.00 . A A . 3 ALA C 1 1 8 5483 1 1 1 ALA CA C -1.838 2.368 -3.417 1.00 . A A . 3 ALA CA 1 1 8 5484 1 1 1 ALA CB C -2.307 3.826 -3.454 1.00 . A A . 3 ALA CB 1 1 8 5485 1 1 1 ALA H1 H -1.760 1.456 -1.543 1.00 . A A . 3 ALA H1 1 1 8 5486 1 1 1 ALA H2 H -2.927 0.798 -2.591 1.00 . A A . 3 ALA H2 1 1 8 5487 1 1 1 ALA H3 H -3.203 2.294 -1.846 1.00 . A A . 3 ALA H3 1 1 8 5488 1 1 1 ALA HA H -2.127 1.878 -4.332 1.00 . A A . 3 ALA HA 1 1 8 5489 1 1 1 ALA HB1 H -3.014 3.998 -2.658 1.00 . A A . 3 ALA HB1 1 1 8 5490 1 1 1 ALA HB2 H -2.781 4.025 -4.403 1.00 . A A . 3 ALA HB2 1 1 8 5491 1 1 1 ALA HB3 H -1.457 4.480 -3.331 1.00 . A A . 3 ALA HB3 1 1 8 5492 1 1 1 ALA N N -2.479 1.677 -2.262 1.00 . A A . 3 ALA N 1 1 8 5493 1 1 1 ALA O O 0.234 2.115 -2.225 1.00 . A A . 3 ALA O 1 1 8 5494 1 1 2 VAL C C 2.414 3.881 -4.028 1.00 . A A . 4 VAL C 1 1 8 5495 1 1 2 VAL CA C 1.874 2.481 -4.366 1.00 . A A . 4 VAL CA 1 1 8 5496 1 1 2 VAL CB C 2.383 1.988 -5.734 1.00 . A A . 4 VAL CB 1 1 8 5497 1 1 2 VAL CG1 C 1.892 2.903 -6.858 1.00 . A A . 4 VAL CG1 1 1 8 5498 1 1 2 VAL CG2 C 3.913 1.941 -5.725 1.00 . A A . 4 VAL CG2 1 1 8 5499 1 1 2 VAL H H -0.083 2.669 -5.230 1.00 . A A . 4 VAL H 1 1 8 5500 1 1 2 VAL HA H 2.201 1.796 -3.598 1.00 . A A . 4 VAL HA 1 1 8 5501 1 1 2 VAL HB H 2.002 0.996 -5.915 1.00 . A A . 4 VAL HB 1 1 8 5502 1 1 2 VAL HG11 H 0.934 2.554 -7.210 1.00 . A A . 4 VAL HG11 1 1 8 5503 1 1 2 VAL HG12 H 2.601 2.885 -7.672 1.00 . A A . 4 VAL HG12 1 1 8 5504 1 1 2 VAL HG13 H 1.795 3.911 -6.490 1.00 . A A . 4 VAL HG13 1 1 8 5505 1 1 2 VAL HG21 H 4.243 0.928 -5.895 1.00 . A A . 4 VAL HG21 1 1 8 5506 1 1 2 VAL HG22 H 4.275 2.284 -4.767 1.00 . A A . 4 VAL HG22 1 1 8 5507 1 1 2 VAL HG23 H 4.295 2.581 -6.506 1.00 . A A . 4 VAL HG23 1 1 8 5508 1 1 2 VAL N N 0.382 2.515 -4.388 1.00 . A A . 4 VAL N 1 1 8 5509 1 1 2 VAL O O 2.162 4.384 -2.952 1.00 . A A . 4 VAL O 1 1 8 5510 1 1 3 SER C C 4.612 5.686 -3.316 1.00 . A A . 5 SER C 1 1 8 5511 1 1 3 SER CA C 3.694 5.857 -4.529 1.00 . A A . 5 SER CA 1 1 8 5512 1 1 3 SER CB C 2.522 6.783 -4.199 1.00 . A A . 5 SER CB 1 1 8 5513 1 1 3 SER H H 3.402 4.126 -5.748 1.00 . A A . 5 SER H 1 1 8 5514 1 1 3 SER HA H 4.258 6.262 -5.357 1.00 . A A . 5 SER HA 1 1 8 5515 1 1 3 SER HB2 H 2.222 7.313 -5.090 1.00 . A A . 5 SER HB2 1 1 8 5516 1 1 3 SER HB3 H 1.688 6.195 -3.841 1.00 . A A . 5 SER HB3 1 1 8 5517 1 1 3 SER HG H 2.204 8.348 -3.088 1.00 . A A . 5 SER HG 1 1 8 5518 1 1 3 SER N N 3.168 4.520 -4.891 1.00 . A A . 5 SER N 1 1 8 5519 1 1 3 SER O O 4.871 6.610 -2.572 1.00 . A A . 5 SER O 1 1 8 5520 1 1 3 SER OG O 2.921 7.722 -3.209 1.00 . A A . 5 SER OG 1 1 8 5521 1 1 4 VAL C C 7.235 3.439 -2.534 1.00 . A A . 6 VAL C 1 1 8 5522 1 1 4 VAL CA C 6.021 4.202 -1.993 1.00 . A A . 6 VAL CA 1 1 8 5523 1 1 4 VAL CB C 5.291 3.339 -0.960 1.00 . A A . 6 VAL CB 1 1 8 5524 1 1 4 VAL CG1 C 4.722 2.095 -1.647 1.00 . A A . 6 VAL CG1 1 1 8 5525 1 1 4 VAL CG2 C 6.267 2.912 0.138 1.00 . A A . 6 VAL CG2 1 1 8 5526 1 1 4 VAL H H 4.881 3.771 -3.759 1.00 . A A . 6 VAL H 1 1 8 5527 1 1 4 VAL HA H 6.343 5.128 -1.537 1.00 . A A . 6 VAL HA 1 1 8 5528 1 1 4 VAL HB H 4.481 3.910 -0.524 1.00 . A A . 6 VAL HB 1 1 8 5529 1 1 4 VAL HG11 H 3.766 2.333 -2.086 1.00 . A A . 6 VAL HG11 1 1 8 5530 1 1 4 VAL HG12 H 4.600 1.306 -0.919 1.00 . A A . 6 VAL HG12 1 1 8 5531 1 1 4 VAL HG13 H 5.401 1.769 -2.420 1.00 . A A . 6 VAL HG13 1 1 8 5532 1 1 4 VAL HG21 H 6.482 3.754 0.778 1.00 . A A . 6 VAL HG21 1 1 8 5533 1 1 4 VAL HG22 H 7.183 2.558 -0.311 1.00 . A A . 6 VAL HG22 1 1 8 5534 1 1 4 VAL HG23 H 5.825 2.118 0.724 1.00 . A A . 6 VAL HG23 1 1 8 5535 1 1 4 VAL N N 5.108 4.489 -3.133 1.00 . A A . 6 VAL N 1 1 8 5536 1 1 4 VAL O O 7.151 2.777 -3.550 1.00 . A A . 6 VAL O 1 1 8 5537 1 1 5 ASP C C 9.732 1.477 -1.679 1.00 . A A . 7 ASP C 1 1 8 5538 1 1 5 ASP CA C 9.563 2.815 -2.397 1.00 . A A . 7 ASP CA 1 1 8 5539 1 1 5 ASP CB C 10.800 3.676 -2.162 1.00 . A A . 7 ASP CB 1 1 8 5540 1 1 5 ASP CG C 11.674 3.671 -3.418 1.00 . A A . 7 ASP CG 1 1 8 5541 1 1 5 ASP H H 8.424 4.075 -1.074 1.00 . A A . 7 ASP H 1 1 8 5542 1 1 5 ASP HA H 9.444 2.635 -3.452 1.00 . A A . 7 ASP HA 1 1 8 5543 1 1 5 ASP HB2 H 10.496 4.687 -1.936 1.00 . A A . 7 ASP HB2 1 1 8 5544 1 1 5 ASP HB3 H 11.362 3.277 -1.333 1.00 . A A . 7 ASP HB3 1 1 8 5545 1 1 5 ASP N N 8.362 3.530 -1.884 1.00 . A A . 7 ASP N 1 1 8 5546 1 1 5 ASP O O 10.840 1.028 -1.476 1.00 . A A . 7 ASP O 1 1 8 5547 1 1 5 ASP OD1 O 11.447 2.826 -4.269 1.00 . A A . 7 ASP OD1 1 1 8 5548 1 1 5 ASP OD2 O 12.552 4.512 -3.511 1.00 . A A . 7 ASP OD2 1 1 8 5549 1 1 6 CYS C C 10.085 -0.796 -0.095 1.00 . A A . 8 CYS C 1 1 8 5550 1 1 6 CYS CA C 8.675 -0.483 -0.609 1.00 . A A . 8 CYS CA 1 1 8 5551 1 1 6 CYS CB C 8.236 -1.584 -1.577 1.00 . A A . 8 CYS CB 1 1 8 5552 1 1 6 CYS H H 7.772 1.258 -1.516 1.00 . A A . 8 CYS H 1 1 8 5553 1 1 6 CYS HA H 7.993 -0.460 0.229 1.00 . A A . 8 CYS HA 1 1 8 5554 1 1 6 CYS HB2 H 8.828 -1.524 -2.480 1.00 . A A . 8 CYS HB2 1 1 8 5555 1 1 6 CYS HB3 H 8.383 -2.548 -1.113 1.00 . A A . 8 CYS HB3 1 1 8 5556 1 1 6 CYS N N 8.637 0.849 -1.316 1.00 . A A . 8 CYS N 1 1 8 5557 1 1 6 CYS O O 10.724 -1.719 -0.554 1.00 . A A . 8 CYS O 1 1 8 5558 1 1 6 CYS SG S 6.484 -1.375 -1.992 1.00 . A A . 8 CYS SG 1 1 8 5559 1 1 7 SER C C 12.334 -1.699 1.350 1.00 . A A . 9 SER C 1 1 8 5560 1 1 7 SER CA C 11.940 -0.219 1.397 1.00 . A A . 9 SER CA 1 1 8 5561 1 1 7 SER CB C 11.970 0.262 2.847 1.00 . A A . 9 SER CB 1 1 8 5562 1 1 7 SER H H 10.019 0.736 1.164 1.00 . A A . 9 SER H 1 1 8 5563 1 1 7 SER HA H 12.650 0.355 0.820 1.00 . A A . 9 SER HA 1 1 8 5564 1 1 7 SER HB2 H 11.433 -0.433 3.471 1.00 . A A . 9 SER HB2 1 1 8 5565 1 1 7 SER HB3 H 12.996 0.325 3.184 1.00 . A A . 9 SER HB3 1 1 8 5566 1 1 7 SER HG H 12.024 2.204 2.767 1.00 . A A . 9 SER HG 1 1 8 5567 1 1 7 SER N N 10.565 -0.011 0.836 1.00 . A A . 9 SER N 1 1 8 5568 1 1 7 SER O O 13.244 -2.083 0.642 1.00 . A A . 9 SER O 1 1 8 5569 1 1 7 SER OG O 11.352 1.540 2.929 1.00 . A A . 9 SER OG 1 1 8 5570 1 1 8 GLU C C 10.780 -4.805 2.479 1.00 . A A . 10 GLU C 1 1 8 5571 1 1 8 GLU CA C 12.006 -3.984 2.078 1.00 . A A . 10 GLU CA 1 1 8 5572 1 1 8 GLU CB C 13.150 -4.251 3.060 1.00 . A A . 10 GLU CB 1 1 8 5573 1 1 8 GLU CD C 14.169 -2.572 4.606 1.00 . A A . 10 GLU CD 1 1 8 5574 1 1 8 GLU CG C 12.937 -3.438 4.339 1.00 . A A . 10 GLU CG 1 1 8 5575 1 1 8 GLU H H 10.926 -2.209 2.657 1.00 . A A . 10 GLU H 1 1 8 5576 1 1 8 GLU HA H 12.315 -4.267 1.083 1.00 . A A . 10 GLU HA 1 1 8 5577 1 1 8 GLU HB2 H 13.176 -5.303 3.302 1.00 . A A . 10 GLU HB2 1 1 8 5578 1 1 8 GLU HB3 H 14.087 -3.963 2.606 1.00 . A A . 10 GLU HB3 1 1 8 5579 1 1 8 GLU HG2 H 12.069 -2.806 4.226 1.00 . A A . 10 GLU HG2 1 1 8 5580 1 1 8 GLU HG3 H 12.785 -4.110 5.171 1.00 . A A . 10 GLU HG3 1 1 8 5581 1 1 8 GLU N N 11.660 -2.534 2.092 1.00 . A A . 10 GLU N 1 1 8 5582 1 1 8 GLU O O 10.551 -5.079 3.640 1.00 . A A . 10 GLU O 1 1 8 5583 1 1 8 GLU OE1 O 15.239 -2.942 4.150 1.00 . A A . 10 GLU OE1 1 1 8 5584 1 1 8 GLU OE2 O 14.024 -1.553 5.261 1.00 . A A . 10 GLU OE2 1 1 8 5585 1 1 9 TYR C C 8.934 -7.407 1.257 1.00 . A A . 11 TYR C 1 1 8 5586 1 1 9 TYR CA C 8.768 -5.994 1.824 1.00 . A A . 11 TYR CA 1 1 8 5587 1 1 9 TYR CB C 7.561 -5.306 1.181 1.00 . A A . 11 TYR CB 1 1 8 5588 1 1 9 TYR CD1 C 7.882 -2.999 2.133 1.00 . A A . 11 TYR CD1 1 1 8 5589 1 1 9 TYR CD2 C 5.950 -4.286 2.833 1.00 . A A . 11 TYR CD2 1 1 8 5590 1 1 9 TYR CE1 C 7.481 -1.944 2.959 1.00 . A A . 11 TYR CE1 1 1 8 5591 1 1 9 TYR CE2 C 5.549 -3.229 3.662 1.00 . A A . 11 TYR CE2 1 1 8 5592 1 1 9 TYR CG C 7.118 -4.169 2.068 1.00 . A A . 11 TYR CG 1 1 8 5593 1 1 9 TYR CZ C 6.315 -2.059 3.725 1.00 . A A . 11 TYR CZ 1 1 8 5594 1 1 9 TYR H H 10.194 -4.953 0.592 1.00 . A A . 11 TYR H 1 1 8 5595 1 1 9 TYR HA H 8.627 -6.047 2.894 1.00 . A A . 11 TYR HA 1 1 8 5596 1 1 9 TYR HB2 H 7.844 -4.918 0.213 1.00 . A A . 11 TYR HB2 1 1 8 5597 1 1 9 TYR HB3 H 6.755 -6.010 1.064 1.00 . A A . 11 TYR HB3 1 1 8 5598 1 1 9 TYR HD1 H 8.782 -2.909 1.543 1.00 . A A . 11 TYR HD1 1 1 8 5599 1 1 9 TYR HD2 H 5.359 -5.190 2.783 1.00 . A A . 11 TYR HD2 1 1 8 5600 1 1 9 TYR HE1 H 8.073 -1.041 3.008 1.00 . A A . 11 TYR HE1 1 1 8 5601 1 1 9 TYR HE2 H 4.649 -3.317 4.252 1.00 . A A . 11 TYR HE2 1 1 8 5602 1 1 9 TYR HH H 6.592 -0.332 4.491 1.00 . A A . 11 TYR HH 1 1 8 5603 1 1 9 TYR N N 9.988 -5.194 1.519 1.00 . A A . 11 TYR N 1 1 8 5604 1 1 9 TYR O O 9.807 -7.647 0.447 1.00 . A A . 11 TYR O 1 1 8 5605 1 1 9 TYR OH O 5.923 -1.018 4.542 1.00 . A A . 11 TYR OH 1 1 8 5606 1 1 10 PRO C C 7.596 -7.980 4.110 1.00 . A A . 12 PRO C 1 1 8 5607 1 1 10 PRO CA C 7.031 -8.015 2.688 1.00 . A A . 12 PRO CA 1 1 8 5608 1 1 10 PRO CB C 6.062 -9.188 2.523 1.00 . A A . 12 PRO CB 1 1 8 5609 1 1 10 PRO CD C 8.120 -9.709 1.248 1.00 . A A . 12 PRO CD 1 1 8 5610 1 1 10 PRO CG C 6.877 -10.345 1.898 1.00 . A A . 12 PRO CG 1 1 8 5611 1 1 10 PRO HA H 6.531 -7.092 2.456 1.00 . A A . 12 PRO HA 1 1 8 5612 1 1 10 PRO HB2 H 5.671 -9.482 3.488 1.00 . A A . 12 PRO HB2 1 1 8 5613 1 1 10 PRO HB3 H 5.256 -8.913 1.861 1.00 . A A . 12 PRO HB3 1 1 8 5614 1 1 10 PRO HD2 H 9.018 -10.203 1.590 1.00 . A A . 12 PRO HD2 1 1 8 5615 1 1 10 PRO HD3 H 8.049 -9.754 0.172 1.00 . A A . 12 PRO HD3 1 1 8 5616 1 1 10 PRO HG2 H 7.175 -11.043 2.667 1.00 . A A . 12 PRO HG2 1 1 8 5617 1 1 10 PRO HG3 H 6.290 -10.848 1.146 1.00 . A A . 12 PRO HG3 1 1 8 5618 1 1 10 PRO N N 8.091 -8.305 1.702 1.00 . A A . 12 PRO N 1 1 8 5619 1 1 10 PRO O O 8.645 -8.528 4.390 1.00 . A A . 12 PRO O 1 1 8 5620 1 1 11 LYS C C 6.585 -8.268 7.268 1.00 . A A . 13 LYS C 1 1 8 5621 1 1 11 LYS CA C 7.376 -7.266 6.418 1.00 . A A . 13 LYS CA 1 1 8 5622 1 1 11 LYS CB C 7.147 -5.852 6.961 1.00 . A A . 13 LYS CB 1 1 8 5623 1 1 11 LYS CD C 7.312 -3.415 6.446 1.00 . A A . 13 LYS CD 1 1 8 5624 1 1 11 LYS CE C 8.420 -2.455 6.007 1.00 . A A . 13 LYS CE 1 1 8 5625 1 1 11 LYS CG C 7.625 -4.823 5.936 1.00 . A A . 13 LYS CG 1 1 8 5626 1 1 11 LYS H H 6.055 -6.912 4.757 1.00 . A A . 13 LYS H 1 1 8 5627 1 1 11 LYS HA H 8.428 -7.506 6.460 1.00 . A A . 13 LYS HA 1 1 8 5628 1 1 11 LYS HB2 H 6.093 -5.708 7.152 1.00 . A A . 13 LYS HB2 1 1 8 5629 1 1 11 LYS HB3 H 7.699 -5.726 7.880 1.00 . A A . 13 LYS HB3 1 1 8 5630 1 1 11 LYS HD2 H 6.367 -3.087 6.038 1.00 . A A . 13 LYS HD2 1 1 8 5631 1 1 11 LYS HD3 H 7.254 -3.427 7.524 1.00 . A A . 13 LYS HD3 1 1 8 5632 1 1 11 LYS HE2 H 8.850 -2.803 5.079 1.00 . A A . 13 LYS HE2 1 1 8 5633 1 1 11 LYS HE3 H 8.006 -1.468 5.866 1.00 . A A . 13 LYS HE3 1 1 8 5634 1 1 11 LYS HG2 H 8.691 -4.926 5.791 1.00 . A A . 13 LYS HG2 1 1 8 5635 1 1 11 LYS HG3 H 7.114 -4.985 4.999 1.00 . A A . 13 LYS HG3 1 1 8 5636 1 1 11 LYS HZ1 H 9.609 -3.351 7.465 1.00 . A A . 13 LYS HZ1 1 1 8 5637 1 1 11 LYS HZ2 H 9.195 -1.739 7.802 1.00 . A A . 13 LYS HZ2 1 1 8 5638 1 1 11 LYS HZ3 H 10.373 -2.088 6.629 1.00 . A A . 13 LYS HZ3 1 1 8 5639 1 1 11 LYS N N 6.899 -7.341 5.010 1.00 . A A . 13 LYS N 1 1 8 5640 1 1 11 LYS NZ N 9.478 -2.404 7.055 1.00 . A A . 13 LYS NZ 1 1 8 5641 1 1 11 LYS O O 5.507 -8.680 6.889 1.00 . A A . 13 LYS O 1 1 8 5642 1 1 12 PRO C C 5.422 -8.869 10.138 1.00 . A A . 14 PRO C 1 1 8 5643 1 1 12 PRO CA C 6.514 -9.575 9.326 1.00 . A A . 14 PRO CA 1 1 8 5644 1 1 12 PRO CB C 7.669 -10.016 10.228 1.00 . A A . 14 PRO CB 1 1 8 5645 1 1 12 PRO CD C 8.458 -8.117 8.844 1.00 . A A . 14 PRO CD 1 1 8 5646 1 1 12 PRO CG C 8.740 -8.902 10.140 1.00 . A A . 14 PRO CG 1 1 8 5647 1 1 12 PRO HA H 6.112 -10.423 8.796 1.00 . A A . 14 PRO HA 1 1 8 5648 1 1 12 PRO HB2 H 7.322 -10.124 11.246 1.00 . A A . 14 PRO HB2 1 1 8 5649 1 1 12 PRO HB3 H 8.083 -10.947 9.874 1.00 . A A . 14 PRO HB3 1 1 8 5650 1 1 12 PRO HD2 H 8.407 -7.057 9.049 1.00 . A A . 14 PRO HD2 1 1 8 5651 1 1 12 PRO HD3 H 9.213 -8.326 8.102 1.00 . A A . 14 PRO HD3 1 1 8 5652 1 1 12 PRO HG2 H 8.662 -8.247 10.998 1.00 . A A . 14 PRO HG2 1 1 8 5653 1 1 12 PRO HG3 H 9.726 -9.340 10.095 1.00 . A A . 14 PRO HG3 1 1 8 5654 1 1 12 PRO N N 7.145 -8.624 8.394 1.00 . A A . 14 PRO N 1 1 8 5655 1 1 12 PRO O O 4.591 -9.499 10.761 1.00 . A A . 14 PRO O 1 1 8 5656 1 1 13 ALA C C 4.323 -5.374 10.388 1.00 . A A . 15 ALA C 1 1 8 5657 1 1 13 ALA CA C 4.387 -6.813 10.900 1.00 . A A . 15 ALA CA 1 1 8 5658 1 1 13 ALA CB C 4.755 -6.808 12.384 1.00 . A A . 15 ALA CB 1 1 8 5659 1 1 13 ALA H H 6.100 -7.075 9.623 1.00 . A A . 15 ALA H 1 1 8 5660 1 1 13 ALA HA H 3.425 -7.287 10.768 1.00 . A A . 15 ALA HA 1 1 8 5661 1 1 13 ALA HB1 H 4.305 -7.661 12.870 1.00 . A A . 15 ALA HB1 1 1 8 5662 1 1 13 ALA HB2 H 4.393 -5.899 12.840 1.00 . A A . 15 ALA HB2 1 1 8 5663 1 1 13 ALA HB3 H 5.828 -6.860 12.487 1.00 . A A . 15 ALA HB3 1 1 8 5664 1 1 13 ALA N N 5.421 -7.563 10.133 1.00 . A A . 15 ALA N 1 1 8 5665 1 1 13 ALA O O 5.323 -4.789 10.024 1.00 . A A . 15 ALA O 1 1 8 5666 1 1 14 CYS C C 2.870 -2.443 11.046 1.00 . A A . 16 CYS C 1 1 8 5667 1 1 14 CYS CA C 3.030 -3.395 9.859 1.00 . A A . 16 CYS CA 1 1 8 5668 1 1 14 CYS CB C 1.804 -3.284 8.951 1.00 . A A . 16 CYS CB 1 1 8 5669 1 1 14 CYS H H 2.356 -5.284 10.647 1.00 . A A . 16 CYS H 1 1 8 5670 1 1 14 CYS HA H 3.917 -3.131 9.302 1.00 . A A . 16 CYS HA 1 1 8 5671 1 1 14 CYS HB2 H 1.015 -3.914 9.333 1.00 . A A . 16 CYS HB2 1 1 8 5672 1 1 14 CYS HB3 H 1.465 -2.259 8.927 1.00 . A A . 16 CYS HB3 1 1 8 5673 1 1 14 CYS N N 3.153 -4.797 10.352 1.00 . A A . 16 CYS N 1 1 8 5674 1 1 14 CYS O O 2.535 -2.850 12.141 1.00 . A A . 16 CYS O 1 1 8 5675 1 1 14 CYS SG S 2.240 -3.814 7.277 1.00 . A A . 16 CYS SG 1 1 8 5676 1 1 15 THR C C 1.472 0.121 12.144 1.00 . A A . 17 THR C 1 1 8 5677 1 1 15 THR CA C 2.954 -0.196 11.948 1.00 . A A . 17 THR CA 1 1 8 5678 1 1 15 THR CB C 3.709 1.093 11.608 1.00 . A A . 17 THR CB 1 1 8 5679 1 1 15 THR CG2 C 4.805 1.334 12.647 1.00 . A A . 17 THR CG2 1 1 8 5680 1 1 15 THR H H 3.366 -0.868 9.942 1.00 . A A . 17 THR H 1 1 8 5681 1 1 15 THR HA H 3.354 -0.618 12.855 1.00 . A A . 17 THR HA 1 1 8 5682 1 1 15 THR HB H 3.022 1.926 11.616 1.00 . A A . 17 THR HB 1 1 8 5683 1 1 15 THR HG1 H 4.879 1.725 10.187 1.00 . A A . 17 THR HG1 1 1 8 5684 1 1 15 THR HG21 H 5.575 0.583 12.541 1.00 . A A . 17 THR HG21 1 1 8 5685 1 1 15 THR HG22 H 4.379 1.274 13.639 1.00 . A A . 17 THR HG22 1 1 8 5686 1 1 15 THR HG23 H 5.234 2.314 12.499 1.00 . A A . 17 THR HG23 1 1 8 5687 1 1 15 THR N N 3.101 -1.175 10.835 1.00 . A A . 17 THR N 1 1 8 5688 1 1 15 THR O O 0.618 -0.416 11.467 1.00 . A A . 17 THR O 1 1 8 5689 1 1 15 THR OG1 O 4.294 0.975 10.318 1.00 . A A . 17 THR OG1 1 1 8 5690 1 1 16 MET C C -0.654 2.497 12.370 1.00 . A A . 18 MET C 1 1 8 5691 1 1 16 MET CA C -0.268 1.344 13.298 1.00 . A A . 18 MET CA 1 1 8 5692 1 1 16 MET CB C -0.457 1.769 14.756 1.00 . A A . 18 MET CB 1 1 8 5693 1 1 16 MET CE C -3.965 1.984 16.633 1.00 . A A . 18 MET CE 1 1 8 5694 1 1 16 MET CG C -1.744 1.153 15.308 1.00 . A A . 18 MET CG 1 1 8 5695 1 1 16 MET H H 1.863 1.414 13.597 1.00 . A A . 18 MET H 1 1 8 5696 1 1 16 MET HA H -0.891 0.487 13.085 1.00 . A A . 18 MET HA 1 1 8 5697 1 1 16 MET HB2 H 0.386 1.427 15.340 1.00 . A A . 18 MET HB2 1 1 8 5698 1 1 16 MET HB3 H -0.521 2.845 14.810 1.00 . A A . 18 MET HB3 1 1 8 5699 1 1 16 MET HE1 H -3.410 2.435 17.443 1.00 . A A . 18 MET HE1 1 1 8 5700 1 1 16 MET HE2 H -4.029 0.920 16.794 1.00 . A A . 18 MET HE2 1 1 8 5701 1 1 16 MET HE3 H -4.959 2.402 16.594 1.00 . A A . 18 MET HE3 1 1 8 5702 1 1 16 MET HG2 H -1.954 0.230 14.787 1.00 . A A . 18 MET HG2 1 1 8 5703 1 1 16 MET HG3 H -1.623 0.952 16.362 1.00 . A A . 18 MET HG3 1 1 8 5704 1 1 16 MET N N 1.159 0.990 13.064 1.00 . A A . 18 MET N 1 1 8 5705 1 1 16 MET O O -1.634 3.182 12.587 1.00 . A A . 18 MET O 1 1 8 5706 1 1 16 MET SD S -3.117 2.309 15.067 1.00 . A A . 18 MET SD 1 1 8 5707 1 1 17 GLU C C -1.594 3.619 9.795 1.00 . A A . 19 GLU C 1 1 8 5708 1 1 17 GLU CA C -0.201 3.827 10.392 1.00 . A A . 19 GLU CA 1 1 8 5709 1 1 17 GLU CB C 0.836 3.850 9.266 1.00 . A A . 19 GLU CB 1 1 8 5710 1 1 17 GLU CD C 2.692 5.433 9.808 1.00 . A A . 19 GLU CD 1 1 8 5711 1 1 17 GLU CG C 1.356 5.276 9.080 1.00 . A A . 19 GLU CG 1 1 8 5712 1 1 17 GLU H H 0.902 2.151 11.184 1.00 . A A . 19 GLU H 1 1 8 5713 1 1 17 GLU HA H -0.175 4.767 10.923 1.00 . A A . 19 GLU HA 1 1 8 5714 1 1 17 GLU HB2 H 1.658 3.196 9.521 1.00 . A A . 19 GLU HB2 1 1 8 5715 1 1 17 GLU HB3 H 0.379 3.514 8.349 1.00 . A A . 19 GLU HB3 1 1 8 5716 1 1 17 GLU HG2 H 1.493 5.474 8.027 1.00 . A A . 19 GLU HG2 1 1 8 5717 1 1 17 GLU HG3 H 0.642 5.976 9.490 1.00 . A A . 19 GLU HG3 1 1 8 5718 1 1 17 GLU N N 0.114 2.716 11.337 1.00 . A A . 19 GLU N 1 1 8 5719 1 1 17 GLU O O -1.877 2.605 9.189 1.00 . A A . 19 GLU O 1 1 8 5720 1 1 17 GLU OE1 O 3.709 5.132 9.206 1.00 . A A . 19 GLU OE1 1 1 8 5721 1 1 17 GLU OE2 O 2.675 5.849 10.955 1.00 . A A . 19 GLU OE2 1 1 8 5722 1 1 18 TYR C C -3.926 5.242 8.097 1.00 . A A . 20 TYR C 1 1 8 5723 1 1 18 TYR CA C -3.838 4.449 9.398 1.00 . A A . 20 TYR CA 1 1 8 5724 1 1 18 TYR CB C -4.840 5.017 10.394 1.00 . A A . 20 TYR CB 1 1 8 5725 1 1 18 TYR CD1 C -6.484 3.154 10.823 1.00 . A A . 20 TYR CD1 1 1 8 5726 1 1 18 TYR CD2 C -7.147 4.985 9.379 1.00 . A A . 20 TYR CD2 1 1 8 5727 1 1 18 TYR CE1 C -7.736 2.556 10.642 1.00 . A A . 20 TYR CE1 1 1 8 5728 1 1 18 TYR CE2 C -8.400 4.386 9.197 1.00 . A A . 20 TYR CE2 1 1 8 5729 1 1 18 TYR CG C -6.189 4.369 10.192 1.00 . A A . 20 TYR CG 1 1 8 5730 1 1 18 TYR CZ C -8.695 3.172 9.829 1.00 . A A . 20 TYR CZ 1 1 8 5731 1 1 18 TYR H H -2.209 5.388 10.446 1.00 . A A . 20 TYR H 1 1 8 5732 1 1 18 TYR HA H -4.061 3.409 9.208 1.00 . A A . 20 TYR HA 1 1 8 5733 1 1 18 TYR HB2 H -4.494 4.829 11.399 1.00 . A A . 20 TYR HB2 1 1 8 5734 1 1 18 TYR HB3 H -4.923 6.079 10.234 1.00 . A A . 20 TYR HB3 1 1 8 5735 1 1 18 TYR HD1 H -5.744 2.679 11.450 1.00 . A A . 20 TYR HD1 1 1 8 5736 1 1 18 TYR HD2 H -6.921 5.922 8.891 1.00 . A A . 20 TYR HD2 1 1 8 5737 1 1 18 TYR HE1 H -7.962 1.620 11.130 1.00 . A A . 20 TYR HE1 1 1 8 5738 1 1 18 TYR HE2 H -9.140 4.862 8.569 1.00 . A A . 20 TYR HE2 1 1 8 5739 1 1 18 TYR HH H -9.922 2.122 8.811 1.00 . A A . 20 TYR HH 1 1 8 5740 1 1 18 TYR N N -2.463 4.577 9.957 1.00 . A A . 20 TYR N 1 1 8 5741 1 1 18 TYR O O -4.899 5.920 7.831 1.00 . A A . 20 TYR O 1 1 8 5742 1 1 18 TYR OH O -9.931 2.583 9.652 1.00 . A A . 20 TYR OH 1 1 8 5743 1 1 19 ARG C C -3.755 5.168 4.969 1.00 . A A . 21 ARG C 1 1 8 5744 1 1 19 ARG CA C -2.910 5.918 6.005 1.00 . A A . 21 ARG CA 1 1 8 5745 1 1 19 ARG CB C -1.475 6.037 5.488 1.00 . A A . 21 ARG CB 1 1 8 5746 1 1 19 ARG CD C -0.341 8.122 6.263 1.00 . A A . 21 ARG CD 1 1 8 5747 1 1 19 ARG CG C -1.176 7.497 5.144 1.00 . A A . 21 ARG CG 1 1 8 5748 1 1 19 ARG CZ C -1.201 9.636 7.949 1.00 . A A . 21 ARG CZ 1 1 8 5749 1 1 19 ARG H H -2.142 4.618 7.539 1.00 . A A . 21 ARG H 1 1 8 5750 1 1 19 ARG HA H -3.313 6.906 6.168 1.00 . A A . 21 ARG HA 1 1 8 5751 1 1 19 ARG HB2 H -0.788 5.697 6.250 1.00 . A A . 21 ARG HB2 1 1 8 5752 1 1 19 ARG HB3 H -1.360 5.430 4.602 1.00 . A A . 21 ARG HB3 1 1 8 5753 1 1 19 ARG HD2 H -0.302 7.447 7.104 1.00 . A A . 21 ARG HD2 1 1 8 5754 1 1 19 ARG HD3 H 0.661 8.307 5.903 1.00 . A A . 21 ARG HD3 1 1 8 5755 1 1 19 ARG HE H -1.190 10.087 6.015 1.00 . A A . 21 ARG HE 1 1 8 5756 1 1 19 ARG HG2 H -0.627 7.543 4.214 1.00 . A A . 21 ARG HG2 1 1 8 5757 1 1 19 ARG HG3 H -2.104 8.040 5.044 1.00 . A A . 21 ARG HG3 1 1 8 5758 1 1 19 ARG HH11 H 0.447 8.698 8.591 1.00 . A A . 21 ARG HH11 1 1 8 5759 1 1 19 ARG HH12 H -0.556 9.382 9.828 1.00 . A A . 21 ARG HH12 1 1 8 5760 1 1 19 ARG HH21 H -2.906 10.627 7.605 1.00 . A A . 21 ARG HH21 1 1 8 5761 1 1 19 ARG HH22 H -2.458 10.465 9.270 1.00 . A A . 21 ARG HH22 1 1 8 5762 1 1 19 ARG N N -2.910 5.166 7.291 1.00 . A A . 21 ARG N 1 1 8 5763 1 1 19 ARG NE N -0.962 9.409 6.686 1.00 . A A . 21 ARG NE 1 1 8 5764 1 1 19 ARG NH1 N -0.372 9.204 8.860 1.00 . A A . 21 ARG NH1 1 1 8 5765 1 1 19 ARG NH2 N -2.271 10.295 8.301 1.00 . A A . 21 ARG NH2 1 1 8 5766 1 1 19 ARG O O -3.397 4.085 4.553 1.00 . A A . 21 ARG O 1 1 8 5767 1 1 20 PRO C C -5.196 5.334 2.178 1.00 . A A . 22 PRO C 1 1 8 5768 1 1 20 PRO CA C -5.765 5.171 3.588 1.00 . A A . 22 PRO CA 1 1 8 5769 1 1 20 PRO CB C -7.054 5.980 3.751 1.00 . A A . 22 PRO CB 1 1 8 5770 1 1 20 PRO CD C -5.286 7.087 5.078 1.00 . A A . 22 PRO CD 1 1 8 5771 1 1 20 PRO CG C -6.644 7.325 4.393 1.00 . A A . 22 PRO CG 1 1 8 5772 1 1 20 PRO HA H -5.948 4.133 3.811 1.00 . A A . 22 PRO HA 1 1 8 5773 1 1 20 PRO HB2 H -7.508 6.148 2.783 1.00 . A A . 22 PRO HB2 1 1 8 5774 1 1 20 PRO HB3 H -7.740 5.461 4.400 1.00 . A A . 22 PRO HB3 1 1 8 5775 1 1 20 PRO HD2 H -4.578 7.855 4.792 1.00 . A A . 22 PRO HD2 1 1 8 5776 1 1 20 PRO HD3 H -5.402 7.060 6.150 1.00 . A A . 22 PRO HD3 1 1 8 5777 1 1 20 PRO HG2 H -6.548 8.085 3.629 1.00 . A A . 22 PRO HG2 1 1 8 5778 1 1 20 PRO HG3 H -7.375 7.625 5.126 1.00 . A A . 22 PRO HG3 1 1 8 5779 1 1 20 PRO N N -4.853 5.767 4.577 1.00 . A A . 22 PRO N 1 1 8 5780 1 1 20 PRO O O -5.038 6.433 1.684 1.00 . A A . 22 PRO O 1 1 8 5781 1 1 21 LEU C C -5.318 3.695 -0.828 1.00 . A A . 23 LEU C 1 1 8 5782 1 1 21 LEU CA C -4.335 4.343 0.150 1.00 . A A . 23 LEU CA 1 1 8 5783 1 1 21 LEU CB C -2.991 3.614 0.089 1.00 . A A . 23 LEU CB 1 1 8 5784 1 1 21 LEU CD1 C -0.613 3.709 0.825 1.00 . A A . 23 LEU CD1 1 1 8 5785 1 1 21 LEU CD2 C -2.041 5.752 0.966 1.00 . A A . 23 LEU CD2 1 1 8 5786 1 1 21 LEU CG C -2.025 4.228 1.102 1.00 . A A . 23 LEU CG 1 1 8 5787 1 1 21 LEU H H -5.027 3.373 1.942 1.00 . A A . 23 LEU H 1 1 8 5788 1 1 21 LEU HA H -4.196 5.381 -0.113 1.00 . A A . 23 LEU HA 1 1 8 5789 1 1 21 LEU HB2 H -3.137 2.571 0.321 1.00 . A A . 23 LEU HB2 1 1 8 5790 1 1 21 LEU HB3 H -2.574 3.708 -0.901 1.00 . A A . 23 LEU HB3 1 1 8 5791 1 1 21 LEU HD11 H 0.082 4.535 0.842 1.00 . A A . 23 LEU HD11 1 1 8 5792 1 1 21 LEU HD12 H -0.587 3.236 -0.145 1.00 . A A . 23 LEU HD12 1 1 8 5793 1 1 21 LEU HD13 H -0.338 2.991 1.583 1.00 . A A . 23 LEU HD13 1 1 8 5794 1 1 21 LEU HD21 H -2.730 6.170 1.687 1.00 . A A . 23 LEU HD21 1 1 8 5795 1 1 21 LEU HD22 H -2.357 6.021 -0.031 1.00 . A A . 23 LEU HD22 1 1 8 5796 1 1 21 LEU HD23 H -1.050 6.141 1.148 1.00 . A A . 23 LEU HD23 1 1 8 5797 1 1 21 LEU HG H -2.323 3.947 2.102 1.00 . A A . 23 LEU HG 1 1 8 5798 1 1 21 LEU N N -4.890 4.249 1.527 1.00 . A A . 23 LEU N 1 1 8 5799 1 1 21 LEU O O -5.699 2.552 -0.671 1.00 . A A . 23 LEU O 1 1 8 5800 1 1 22 CYS C C -5.887 3.127 -3.918 1.00 . A A . 24 CYS C 1 1 8 5801 1 1 22 CYS CA C -6.684 3.823 -2.816 1.00 . A A . 24 CYS CA 1 1 8 5802 1 1 22 CYS CB C -7.538 4.934 -3.429 1.00 . A A . 24 CYS CB 1 1 8 5803 1 1 22 CYS H H -5.411 5.328 -1.953 1.00 . A A . 24 CYS H 1 1 8 5804 1 1 22 CYS HA H -7.321 3.106 -2.317 1.00 . A A . 24 CYS HA 1 1 8 5805 1 1 22 CYS HB2 H -8.141 5.392 -2.660 1.00 . A A . 24 CYS HB2 1 1 8 5806 1 1 22 CYS HB3 H -6.894 5.681 -3.872 1.00 . A A . 24 CYS HB3 1 1 8 5807 1 1 22 CYS N N -5.730 4.409 -1.839 1.00 . A A . 24 CYS N 1 1 8 5808 1 1 22 CYS O O -5.552 3.723 -4.919 1.00 . A A . 24 CYS O 1 1 8 5809 1 1 22 CYS SG S -8.617 4.238 -4.705 1.00 . A A . 24 CYS SG 1 1 8 5810 1 1 23 GLY C C -5.478 1.202 -6.110 1.00 . A A . 25 GLY C 1 1 8 5811 1 1 23 GLY CA C -4.775 1.137 -4.758 1.00 . A A . 25 GLY CA 1 1 8 5812 1 1 23 GLY H H -5.843 1.417 -2.909 1.00 . A A . 25 GLY H 1 1 8 5813 1 1 23 GLY HA2 H -3.802 1.588 -4.845 1.00 . A A . 25 GLY HA2 1 1 8 5814 1 1 23 GLY HA3 H -4.670 0.105 -4.461 1.00 . A A . 25 GLY HA3 1 1 8 5815 1 1 23 GLY N N -5.568 1.873 -3.732 1.00 . A A . 25 GLY N 1 1 8 5816 1 1 23 GLY O O -6.691 1.228 -6.187 1.00 . A A . 25 GLY O 1 1 8 5817 1 1 24 SER C C -6.372 0.158 -8.691 1.00 . A A . 26 SER C 1 1 8 5818 1 1 24 SER CA C -5.343 1.280 -8.536 1.00 . A A . 26 SER CA 1 1 8 5819 1 1 24 SER CB C -4.262 1.123 -9.604 1.00 . A A . 26 SER CB 1 1 8 5820 1 1 24 SER H H -3.736 1.192 -7.091 1.00 . A A . 26 SER H 1 1 8 5821 1 1 24 SER HA H -5.832 2.235 -8.662 1.00 . A A . 26 SER HA 1 1 8 5822 1 1 24 SER HB2 H -3.515 0.428 -9.258 1.00 . A A . 26 SER HB2 1 1 8 5823 1 1 24 SER HB3 H -4.710 0.743 -10.514 1.00 . A A . 26 SER HB3 1 1 8 5824 1 1 24 SER HG H -4.246 2.892 -10.412 1.00 . A A . 26 SER HG 1 1 8 5825 1 1 24 SER N N -4.720 1.221 -7.181 1.00 . A A . 26 SER N 1 1 8 5826 1 1 24 SER O O -7.206 0.189 -9.574 1.00 . A A . 26 SER O 1 1 8 5827 1 1 24 SER OG O -3.657 2.385 -9.849 1.00 . A A . 26 SER OG 1 1 8 5828 1 1 25 ASP C C -8.577 -1.592 -7.181 1.00 . A A . 27 ASP C 1 1 8 5829 1 1 25 ASP CA C -7.298 -1.955 -7.940 1.00 . A A . 27 ASP CA 1 1 8 5830 1 1 25 ASP CB C -6.683 -3.209 -7.322 1.00 . A A . 27 ASP CB 1 1 8 5831 1 1 25 ASP CG C -6.450 -2.978 -5.830 1.00 . A A . 27 ASP CG 1 1 8 5832 1 1 25 ASP H H -5.642 -0.841 -7.138 1.00 . A A . 27 ASP H 1 1 8 5833 1 1 25 ASP HA H -7.532 -2.140 -8.977 1.00 . A A . 27 ASP HA 1 1 8 5834 1 1 25 ASP HB2 H -7.352 -4.047 -7.461 1.00 . A A . 27 ASP HB2 1 1 8 5835 1 1 25 ASP HB3 H -5.739 -3.419 -7.801 1.00 . A A . 27 ASP HB3 1 1 8 5836 1 1 25 ASP N N -6.323 -0.833 -7.842 1.00 . A A . 27 ASP N 1 1 8 5837 1 1 25 ASP O O -9.334 -2.453 -6.773 1.00 . A A . 27 ASP O 1 1 8 5838 1 1 25 ASP OD1 O -6.389 -1.825 -5.434 1.00 . A A . 27 ASP OD1 1 1 8 5839 1 1 25 ASP OD2 O -6.337 -3.956 -5.108 1.00 . A A . 27 ASP OD2 1 1 8 5840 1 1 26 ASN C C -10.058 -0.554 -4.869 1.00 . A A . 28 ASN C 1 1 8 5841 1 1 26 ASN CA C -10.048 0.094 -6.253 1.00 . A A . 28 ASN CA 1 1 8 5842 1 1 26 ASN CB C -11.287 -0.354 -7.033 1.00 . A A . 28 ASN CB 1 1 8 5843 1 1 26 ASN CG C -12.292 0.797 -7.106 1.00 . A A . 28 ASN CG 1 1 8 5844 1 1 26 ASN H H -8.200 0.349 -7.320 1.00 . A A . 28 ASN H 1 1 8 5845 1 1 26 ASN HA H -10.056 1.169 -6.150 1.00 . A A . 28 ASN HA 1 1 8 5846 1 1 26 ASN HB2 H -10.997 -0.645 -8.032 1.00 . A A . 28 ASN HB2 1 1 8 5847 1 1 26 ASN HB3 H -11.742 -1.194 -6.530 1.00 . A A . 28 ASN HB3 1 1 8 5848 1 1 26 ASN HD21 H -13.788 -0.277 -6.369 1.00 . A A . 28 ASN HD21 1 1 8 5849 1 1 26 ASN HD22 H -14.171 1.330 -6.754 1.00 . A A . 28 ASN HD22 1 1 8 5850 1 1 26 ASN N N -8.822 -0.327 -6.986 1.00 . A A . 28 ASN N 1 1 8 5851 1 1 26 ASN ND2 N -13.519 0.601 -6.710 1.00 . A A . 28 ASN ND2 1 1 8 5852 1 1 26 ASN O O -11.085 -0.989 -4.388 1.00 . A A . 28 ASN O 1 1 8 5853 1 1 26 ASN OD1 O -11.957 1.885 -7.531 1.00 . A A . 28 ASN OD1 1 1 8 5854 1 1 27 LYS C C -8.398 -0.269 -1.825 1.00 . A A . 29 LYS C 1 1 8 5855 1 1 27 LYS CA C -8.888 -1.269 -2.875 1.00 . A A . 29 LYS CA 1 1 8 5856 1 1 27 LYS CB C -7.946 -2.473 -2.902 1.00 . A A . 29 LYS CB 1 1 8 5857 1 1 27 LYS CD C -9.729 -4.170 -2.499 1.00 . A A . 29 LYS CD 1 1 8 5858 1 1 27 LYS CE C -9.215 -5.425 -1.792 1.00 . A A . 29 LYS CE 1 1 8 5859 1 1 27 LYS CG C -8.674 -3.680 -3.491 1.00 . A A . 29 LYS CG 1 1 8 5860 1 1 27 LYS H H -8.098 -0.283 -4.633 1.00 . A A . 29 LYS H 1 1 8 5861 1 1 27 LYS HA H -9.881 -1.600 -2.612 1.00 . A A . 29 LYS HA 1 1 8 5862 1 1 27 LYS HB2 H -7.081 -2.241 -3.507 1.00 . A A . 29 LYS HB2 1 1 8 5863 1 1 27 LYS HB3 H -7.628 -2.703 -1.896 1.00 . A A . 29 LYS HB3 1 1 8 5864 1 1 27 LYS HD2 H -9.923 -3.399 -1.768 1.00 . A A . 29 LYS HD2 1 1 8 5865 1 1 27 LYS HD3 H -10.641 -4.404 -3.027 1.00 . A A . 29 LYS HD3 1 1 8 5866 1 1 27 LYS HE2 H -9.516 -6.301 -2.347 1.00 . A A . 29 LYS HE2 1 1 8 5867 1 1 27 LYS HE3 H -8.137 -5.389 -1.736 1.00 . A A . 29 LYS HE3 1 1 8 5868 1 1 27 LYS HG2 H -9.153 -3.395 -4.417 1.00 . A A . 29 LYS HG2 1 1 8 5869 1 1 27 LYS HG3 H -7.966 -4.472 -3.680 1.00 . A A . 29 LYS HG3 1 1 8 5870 1 1 27 LYS HZ1 H -9.245 -6.169 0.150 1.00 . A A . 29 LYS HZ1 1 1 8 5871 1 1 27 LYS HZ2 H -10.778 -5.784 -0.468 1.00 . A A . 29 LYS HZ2 1 1 8 5872 1 1 27 LYS HZ3 H -9.722 -4.548 0.025 1.00 . A A . 29 LYS HZ3 1 1 8 5873 1 1 27 LYS N N -8.923 -0.632 -4.226 1.00 . A A . 29 LYS N 1 1 8 5874 1 1 27 LYS NZ N -9.782 -5.486 -0.418 1.00 . A A . 29 LYS NZ 1 1 8 5875 1 1 27 LYS O O -7.362 0.345 -1.974 1.00 . A A . 29 LYS O 1 1 8 5876 1 1 28 THR C C -7.645 0.137 1.187 1.00 . A A . 30 THR C 1 1 8 5877 1 1 28 THR CA C -8.693 0.830 0.315 1.00 . A A . 30 THR CA 1 1 8 5878 1 1 28 THR CB C -9.895 1.232 1.174 1.00 . A A . 30 THR CB 1 1 8 5879 1 1 28 THR CG2 C -9.425 2.119 2.325 1.00 . A A . 30 THR CG2 1 1 8 5880 1 1 28 THR H H -9.957 -0.629 -0.643 1.00 . A A . 30 THR H 1 1 8 5881 1 1 28 THR HA H -8.261 1.710 -0.137 1.00 . A A . 30 THR HA 1 1 8 5882 1 1 28 THR HB H -10.366 0.347 1.574 1.00 . A A . 30 THR HB 1 1 8 5883 1 1 28 THR HG1 H -11.636 2.051 0.881 1.00 . A A . 30 THR HG1 1 1 8 5884 1 1 28 THR HG21 H -10.055 1.955 3.187 1.00 . A A . 30 THR HG21 1 1 8 5885 1 1 28 THR HG22 H -9.482 3.155 2.028 1.00 . A A . 30 THR HG22 1 1 8 5886 1 1 28 THR HG23 H -8.403 1.872 2.575 1.00 . A A . 30 THR HG23 1 1 8 5887 1 1 28 THR N N -9.128 -0.115 -0.752 1.00 . A A . 30 THR N 1 1 8 5888 1 1 28 THR O O -7.824 -0.987 1.612 1.00 . A A . 30 THR O 1 1 8 5889 1 1 28 THR OG1 O -10.828 1.945 0.373 1.00 . A A . 30 THR OG1 1 1 8 5890 1 1 29 TYR C C -5.334 0.910 3.590 1.00 . A A . 31 TYR C 1 1 8 5891 1 1 29 TYR CA C -5.485 0.158 2.268 1.00 . A A . 31 TYR CA 1 1 8 5892 1 1 29 TYR CB C -4.175 0.199 1.491 1.00 . A A . 31 TYR CB 1 1 8 5893 1 1 29 TYR CD1 C -3.864 -2.229 0.881 1.00 . A A . 31 TYR CD1 1 1 8 5894 1 1 29 TYR CD2 C -4.450 -0.653 -0.867 1.00 . A A . 31 TYR CD2 1 1 8 5895 1 1 29 TYR CE1 C -3.858 -3.269 -0.060 1.00 . A A . 31 TYR CE1 1 1 8 5896 1 1 29 TYR CE2 C -4.444 -1.692 -1.806 1.00 . A A . 31 TYR CE2 1 1 8 5897 1 1 29 TYR CG C -4.161 -0.921 0.477 1.00 . A A . 31 TYR CG 1 1 8 5898 1 1 29 TYR CZ C -4.148 -2.999 -1.403 1.00 . A A . 31 TYR CZ 1 1 8 5899 1 1 29 TYR H H -6.410 1.686 1.085 1.00 . A A . 31 TYR H 1 1 8 5900 1 1 29 TYR HA H -5.744 -0.867 2.473 1.00 . A A . 31 TYR HA 1 1 8 5901 1 1 29 TYR HB2 H -4.091 1.146 0.981 1.00 . A A . 31 TYR HB2 1 1 8 5902 1 1 29 TYR HB3 H -3.351 0.082 2.171 1.00 . A A . 31 TYR HB3 1 1 8 5903 1 1 29 TYR HD1 H -3.641 -2.438 1.916 1.00 . A A . 31 TYR HD1 1 1 8 5904 1 1 29 TYR HD2 H -4.679 0.355 -1.178 1.00 . A A . 31 TYR HD2 1 1 8 5905 1 1 29 TYR HE1 H -3.631 -4.277 0.252 1.00 . A A . 31 TYR HE1 1 1 8 5906 1 1 29 TYR HE2 H -4.668 -1.484 -2.843 1.00 . A A . 31 TYR HE2 1 1 8 5907 1 1 29 TYR HH H -4.922 -3.929 -2.879 1.00 . A A . 31 TYR HH 1 1 8 5908 1 1 29 TYR N N -6.545 0.788 1.445 1.00 . A A . 31 TYR N 1 1 8 5909 1 1 29 TYR O O -5.862 1.989 3.771 1.00 . A A . 31 TYR O 1 1 8 5910 1 1 29 TYR OH O -4.142 -4.023 -2.328 1.00 . A A . 31 TYR OH 1 1 8 5911 1 1 30 GLY C C -3.157 1.856 5.782 1.00 . A A . 32 GLY C 1 1 8 5912 1 1 30 GLY CA C -4.422 1.002 5.834 1.00 . A A . 32 GLY CA 1 1 8 5913 1 1 30 GLY H H -4.202 -0.532 4.341 1.00 . A A . 32 GLY H 1 1 8 5914 1 1 30 GLY HA2 H -5.273 1.629 6.052 1.00 . A A . 32 GLY HA2 1 1 8 5915 1 1 30 GLY HA3 H -4.316 0.254 6.604 1.00 . A A . 32 GLY HA3 1 1 8 5916 1 1 30 GLY N N -4.616 0.338 4.515 1.00 . A A . 32 GLY N 1 1 8 5917 1 1 30 GLY O O -2.994 2.793 6.536 1.00 . A A . 32 GLY O 1 1 8 5918 1 1 31 ASN C C -0.065 1.677 3.770 1.00 . A A . 33 ASN C 1 1 8 5919 1 1 31 ASN CA C -1.011 2.336 4.776 1.00 . A A . 33 ASN CA 1 1 8 5920 1 1 31 ASN CB C -0.331 2.429 6.147 1.00 . A A . 33 ASN CB 1 1 8 5921 1 1 31 ASN CG C -0.191 1.034 6.759 1.00 . A A . 33 ASN CG 1 1 8 5922 1 1 31 ASN H H -2.422 0.780 4.284 1.00 . A A . 33 ASN H 1 1 8 5923 1 1 31 ASN HA H -1.254 3.332 4.433 1.00 . A A . 33 ASN HA 1 1 8 5924 1 1 31 ASN HB2 H 0.649 2.868 6.032 1.00 . A A . 33 ASN HB2 1 1 8 5925 1 1 31 ASN HB3 H -0.926 3.047 6.802 1.00 . A A . 33 ASN HB3 1 1 8 5926 1 1 31 ASN HD21 H -0.060 1.712 8.621 1.00 . A A . 33 ASN HD21 1 1 8 5927 1 1 31 ASN HD22 H 0.026 0.025 8.456 1.00 . A A . 33 ASN HD22 1 1 8 5928 1 1 31 ASN N N -2.264 1.539 4.887 1.00 . A A . 33 ASN N 1 1 8 5929 1 1 31 ASN ND2 N -0.065 0.913 8.053 1.00 . A A . 33 ASN ND2 1 1 8 5930 1 1 31 ASN O O -0.258 0.548 3.362 1.00 . A A . 33 ASN O 1 1 8 5931 1 1 31 ASN OD1 O -0.193 0.045 6.055 1.00 . A A . 33 ASN OD1 1 1 8 5932 1 1 32 LYS C C 2.492 0.504 2.871 1.00 . A A . 34 LYS C 1 1 8 5933 1 1 32 LYS CA C 1.916 1.831 2.371 1.00 . A A . 34 LYS CA 1 1 8 5934 1 1 32 LYS CB C 3.056 2.830 2.161 1.00 . A A . 34 LYS CB 1 1 8 5935 1 1 32 LYS CD C 4.805 4.207 3.304 1.00 . A A . 34 LYS CD 1 1 8 5936 1 1 32 LYS CE C 4.500 5.557 3.956 1.00 . A A . 34 LYS CE 1 1 8 5937 1 1 32 LYS CG C 3.624 3.257 3.518 1.00 . A A . 34 LYS CG 1 1 8 5938 1 1 32 LYS H H 1.070 3.289 3.693 1.00 . A A . 34 LYS H 1 1 8 5939 1 1 32 LYS HA H 1.412 1.667 1.430 1.00 . A A . 34 LYS HA 1 1 8 5940 1 1 32 LYS HB2 H 3.835 2.366 1.574 1.00 . A A . 34 LYS HB2 1 1 8 5941 1 1 32 LYS HB3 H 2.682 3.699 1.642 1.00 . A A . 34 LYS HB3 1 1 8 5942 1 1 32 LYS HD2 H 5.694 3.783 3.752 1.00 . A A . 34 LYS HD2 1 1 8 5943 1 1 32 LYS HD3 H 4.967 4.348 2.246 1.00 . A A . 34 LYS HD3 1 1 8 5944 1 1 32 LYS HE2 H 4.417 5.429 5.026 1.00 . A A . 34 LYS HE2 1 1 8 5945 1 1 32 LYS HE3 H 5.297 6.253 3.737 1.00 . A A . 34 LYS HE3 1 1 8 5946 1 1 32 LYS HG2 H 2.856 3.759 4.088 1.00 . A A . 34 LYS HG2 1 1 8 5947 1 1 32 LYS HG3 H 3.960 2.384 4.058 1.00 . A A . 34 LYS HG3 1 1 8 5948 1 1 32 LYS HZ1 H 2.932 5.535 2.587 1.00 . A A . 34 LYS HZ1 1 1 8 5949 1 1 32 LYS HZ2 H 3.339 7.085 3.149 1.00 . A A . 34 LYS HZ2 1 1 8 5950 1 1 32 LYS HZ3 H 2.478 6.015 4.149 1.00 . A A . 34 LYS HZ3 1 1 8 5951 1 1 32 LYS N N 0.948 2.384 3.358 1.00 . A A . 34 LYS N 1 1 8 5952 1 1 32 LYS NZ N 3.216 6.088 3.420 1.00 . A A . 34 LYS NZ 1 1 8 5953 1 1 32 LYS O O 3.096 -0.232 2.120 1.00 . A A . 34 LYS O 1 1 8 5954 1 1 33 CYS C C 1.959 -2.239 4.143 1.00 . A A . 35 CYS C 1 1 8 5955 1 1 33 CYS CA C 2.867 -1.108 4.623 1.00 . A A . 35 CYS CA 1 1 8 5956 1 1 33 CYS CB C 2.910 -1.086 6.151 1.00 . A A . 35 CYS CB 1 1 8 5957 1 1 33 CYS H H 1.831 0.775 4.731 1.00 . A A . 35 CYS H 1 1 8 5958 1 1 33 CYS HA H 3.863 -1.252 4.232 1.00 . A A . 35 CYS HA 1 1 8 5959 1 1 33 CYS HB2 H 3.452 -0.213 6.482 1.00 . A A . 35 CYS HB2 1 1 8 5960 1 1 33 CYS HB3 H 1.903 -1.053 6.536 1.00 . A A . 35 CYS HB3 1 1 8 5961 1 1 33 CYS N N 2.320 0.181 4.123 1.00 . A A . 35 CYS N 1 1 8 5962 1 1 33 CYS O O 2.412 -3.301 3.762 1.00 . A A . 35 CYS O 1 1 8 5963 1 1 33 CYS SG S 3.745 -2.577 6.749 1.00 . A A . 35 CYS SG 1 1 8 5964 1 1 34 ASN C C -0.287 -3.047 2.147 1.00 . A A . 36 ASN C 1 1 8 5965 1 1 34 ASN CA C -0.283 -3.037 3.675 1.00 . A A . 36 ASN CA 1 1 8 5966 1 1 34 ASN CB C -1.678 -2.678 4.182 1.00 . A A . 36 ASN CB 1 1 8 5967 1 1 34 ASN CG C -2.318 -3.902 4.836 1.00 . A A . 36 ASN CG 1 1 8 5968 1 1 34 ASN H H 0.338 -1.137 4.438 1.00 . A A . 36 ASN H 1 1 8 5969 1 1 34 ASN HA H 0.007 -4.006 4.050 1.00 . A A . 36 ASN HA 1 1 8 5970 1 1 34 ASN HB2 H -1.604 -1.877 4.905 1.00 . A A . 36 ASN HB2 1 1 8 5971 1 1 34 ASN HB3 H -2.285 -2.353 3.354 1.00 . A A . 36 ASN HB3 1 1 8 5972 1 1 34 ASN HD21 H -0.920 -4.058 6.238 1.00 . A A . 36 ASN HD21 1 1 8 5973 1 1 34 ASN HD22 H -2.150 -5.224 6.308 1.00 . A A . 36 ASN HD22 1 1 8 5974 1 1 34 ASN N N 0.675 -2.005 4.142 1.00 . A A . 36 ASN N 1 1 8 5975 1 1 34 ASN ND2 N -1.749 -4.439 5.881 1.00 . A A . 36 ASN ND2 1 1 8 5976 1 1 34 ASN O O -0.752 -3.979 1.520 1.00 . A A . 36 ASN O 1 1 8 5977 1 1 34 ASN OD1 O -3.346 -4.377 4.393 1.00 . A A . 36 ASN OD1 1 1 8 5978 1 1 35 PHE C C 1.483 -2.659 -0.473 1.00 . A A . 37 PHE C 1 1 8 5979 1 1 35 PHE CA C 0.246 -1.937 0.062 1.00 . A A . 37 PHE CA 1 1 8 5980 1 1 35 PHE CB C 0.295 -0.478 -0.383 1.00 . A A . 37 PHE CB 1 1 8 5981 1 1 35 PHE CD1 C -1.030 -0.525 -2.528 1.00 . A A . 37 PHE CD1 1 1 8 5982 1 1 35 PHE CD2 C 1.377 -0.291 -2.646 1.00 . A A . 37 PHE CD2 1 1 8 5983 1 1 35 PHE CE1 C -1.105 -0.477 -3.927 1.00 . A A . 37 PHE CE1 1 1 8 5984 1 1 35 PHE CE2 C 1.304 -0.248 -4.043 1.00 . A A . 37 PHE CE2 1 1 8 5985 1 1 35 PHE CG C 0.212 -0.429 -1.889 1.00 . A A . 37 PHE CG 1 1 8 5986 1 1 35 PHE CZ C 0.064 -0.339 -4.683 1.00 . A A . 37 PHE CZ 1 1 8 5987 1 1 35 PHE H H 0.583 -1.265 2.076 1.00 . A A . 37 PHE H 1 1 8 5988 1 1 35 PHE HA H -0.643 -2.404 -0.336 1.00 . A A . 37 PHE HA 1 1 8 5989 1 1 35 PHE HB2 H -0.531 0.068 0.053 1.00 . A A . 37 PHE HB2 1 1 8 5990 1 1 35 PHE HB3 H 1.227 -0.036 -0.062 1.00 . A A . 37 PHE HB3 1 1 8 5991 1 1 35 PHE HD1 H -1.930 -0.634 -1.943 1.00 . A A . 37 PHE HD1 1 1 8 5992 1 1 35 PHE HD2 H 2.335 -0.217 -2.154 1.00 . A A . 37 PHE HD2 1 1 8 5993 1 1 35 PHE HE1 H -2.065 -0.545 -4.424 1.00 . A A . 37 PHE HE1 1 1 8 5994 1 1 35 PHE HE2 H 2.204 -0.136 -4.623 1.00 . A A . 37 PHE HE2 1 1 8 5995 1 1 35 PHE HZ H 0.010 -0.306 -5.762 1.00 . A A . 37 PHE HZ 1 1 8 5996 1 1 35 PHE N N 0.221 -2.006 1.547 1.00 . A A . 37 PHE N 1 1 8 5997 1 1 35 PHE O O 1.403 -3.438 -1.400 1.00 . A A . 37 PHE O 1 1 8 5998 1 1 36 CYS C C 3.693 -4.581 -0.163 1.00 . A A . 38 CYS C 1 1 8 5999 1 1 36 CYS CA C 3.860 -3.083 -0.378 1.00 . A A . 38 CYS CA 1 1 8 6000 1 1 36 CYS CB C 5.073 -2.580 0.408 1.00 . A A . 38 CYS CB 1 1 8 6001 1 1 36 CYS H H 2.670 -1.784 0.850 1.00 . A A . 38 CYS H 1 1 8 6002 1 1 36 CYS HA H 3.998 -2.880 -1.429 1.00 . A A . 38 CYS HA 1 1 8 6003 1 1 36 CYS HB2 H 4.813 -2.488 1.453 1.00 . A A . 38 CYS HB2 1 1 8 6004 1 1 36 CYS HB3 H 5.887 -3.279 0.300 1.00 . A A . 38 CYS HB3 1 1 8 6005 1 1 36 CYS N N 2.627 -2.408 0.103 1.00 . A A . 38 CYS N 1 1 8 6006 1 1 36 CYS O O 4.204 -5.390 -0.913 1.00 . A A . 38 CYS O 1 1 8 6007 1 1 36 CYS SG S 5.584 -0.964 -0.229 1.00 . A A . 38 CYS SG 1 1 8 6008 1 1 37 ASN C C 1.723 -6.918 0.093 1.00 . A A . 39 ASN C 1 1 8 6009 1 1 37 ASN CA C 2.739 -6.404 1.106 1.00 . A A . 39 ASN CA 1 1 8 6010 1 1 37 ASN CB C 2.203 -6.607 2.524 1.00 . A A . 39 ASN CB 1 1 8 6011 1 1 37 ASN CG C 3.291 -7.232 3.398 1.00 . A A . 39 ASN CG 1 1 8 6012 1 1 37 ASN H H 2.547 -4.282 1.433 1.00 . A A . 39 ASN H 1 1 8 6013 1 1 37 ASN HA H 3.667 -6.938 0.981 1.00 . A A . 39 ASN HA 1 1 8 6014 1 1 37 ASN HB2 H 1.912 -5.652 2.937 1.00 . A A . 39 ASN HB2 1 1 8 6015 1 1 37 ASN HB3 H 1.347 -7.263 2.494 1.00 . A A . 39 ASN HB3 1 1 8 6016 1 1 37 ASN HD21 H 2.004 -7.974 4.714 1.00 . A A . 39 ASN HD21 1 1 8 6017 1 1 37 ASN HD22 H 3.639 -8.293 5.039 1.00 . A A . 39 ASN HD22 1 1 8 6018 1 1 37 ASN N N 2.962 -4.956 0.850 1.00 . A A . 39 ASN N 1 1 8 6019 1 1 37 ASN ND2 N 2.950 -7.887 4.473 1.00 . A A . 39 ASN ND2 1 1 8 6020 1 1 37 ASN O O 1.922 -7.930 -0.548 1.00 . A A . 39 ASN O 1 1 8 6021 1 1 37 ASN OD1 O 4.465 -7.125 3.098 1.00 . A A . 39 ASN OD1 1 1 8 6022 1 1 38 ALA C C 0.325 -6.643 -2.446 1.00 . A A . 40 ALA C 1 1 8 6023 1 1 38 ALA CA C -0.363 -6.634 -1.082 1.00 . A A . 40 ALA CA 1 1 8 6024 1 1 38 ALA CB C -1.535 -5.651 -1.094 1.00 . A A . 40 ALA CB 1 1 8 6025 1 1 38 ALA H H 0.519 -5.379 0.427 1.00 . A A . 40 ALA H 1 1 8 6026 1 1 38 ALA HA H -0.716 -7.628 -0.845 1.00 . A A . 40 ALA HA 1 1 8 6027 1 1 38 ALA HB1 H -1.173 -4.663 -1.336 1.00 . A A . 40 ALA HB1 1 1 8 6028 1 1 38 ALA HB2 H -2.002 -5.634 -0.120 1.00 . A A . 40 ALA HB2 1 1 8 6029 1 1 38 ALA HB3 H -2.258 -5.960 -1.835 1.00 . A A . 40 ALA HB3 1 1 8 6030 1 1 38 ALA N N 0.647 -6.206 -0.081 1.00 . A A . 40 ALA N 1 1 8 6031 1 1 38 ALA O O -0.122 -7.274 -3.383 1.00 . A A . 40 ALA O 1 1 8 6032 1 1 39 VAL C C 3.094 -7.148 -3.880 1.00 . A A . 41 VAL C 1 1 8 6033 1 1 39 VAL CA C 2.189 -5.916 -3.821 1.00 . A A . 41 VAL CA 1 1 8 6034 1 1 39 VAL CB C 3.045 -4.645 -3.869 1.00 . A A . 41 VAL CB 1 1 8 6035 1 1 39 VAL CG1 C 3.983 -4.690 -5.077 1.00 . A A . 41 VAL CG1 1 1 8 6036 1 1 39 VAL CG2 C 2.130 -3.422 -3.985 1.00 . A A . 41 VAL CG2 1 1 8 6037 1 1 39 VAL H H 1.772 -5.466 -1.766 1.00 . A A . 41 VAL H 1 1 8 6038 1 1 39 VAL HA H 1.503 -5.926 -4.653 1.00 . A A . 41 VAL HA 1 1 8 6039 1 1 39 VAL HB H 3.629 -4.572 -2.962 1.00 . A A . 41 VAL HB 1 1 8 6040 1 1 39 VAL HG11 H 3.512 -4.205 -5.918 1.00 . A A . 41 VAL HG11 1 1 8 6041 1 1 39 VAL HG12 H 4.201 -5.717 -5.331 1.00 . A A . 41 VAL HG12 1 1 8 6042 1 1 39 VAL HG13 H 4.905 -4.178 -4.837 1.00 . A A . 41 VAL HG13 1 1 8 6043 1 1 39 VAL HG21 H 2.280 -2.951 -4.946 1.00 . A A . 41 VAL HG21 1 1 8 6044 1 1 39 VAL HG22 H 2.368 -2.719 -3.199 1.00 . A A . 41 VAL HG22 1 1 8 6045 1 1 39 VAL HG23 H 1.101 -3.732 -3.892 1.00 . A A . 41 VAL HG23 1 1 8 6046 1 1 39 VAL N N 1.432 -5.953 -2.544 1.00 . A A . 41 VAL N 1 1 8 6047 1 1 39 VAL O O 3.359 -7.686 -4.937 1.00 . A A . 41 VAL O 1 1 8 6048 1 1 40 VAL C C 3.611 -10.019 -3.177 1.00 . A A . 42 VAL C 1 1 8 6049 1 1 40 VAL CA C 4.438 -8.809 -2.744 1.00 . A A . 42 VAL CA 1 1 8 6050 1 1 40 VAL CB C 4.984 -9.044 -1.334 1.00 . A A . 42 VAL CB 1 1 8 6051 1 1 40 VAL CG1 C 5.624 -10.432 -1.260 1.00 . A A . 42 VAL CG1 1 1 8 6052 1 1 40 VAL CG2 C 6.038 -7.981 -1.012 1.00 . A A . 42 VAL CG2 1 1 8 6053 1 1 40 VAL H H 3.331 -7.161 -1.901 1.00 . A A . 42 VAL H 1 1 8 6054 1 1 40 VAL HA H 5.258 -8.663 -3.432 1.00 . A A . 42 VAL HA 1 1 8 6055 1 1 40 VAL HB H 4.175 -8.981 -0.619 1.00 . A A . 42 VAL HB 1 1 8 6056 1 1 40 VAL HG11 H 5.689 -10.853 -2.251 1.00 . A A . 42 VAL HG11 1 1 8 6057 1 1 40 VAL HG12 H 5.019 -11.074 -0.636 1.00 . A A . 42 VAL HG12 1 1 8 6058 1 1 40 VAL HG13 H 6.612 -10.351 -0.837 1.00 . A A . 42 VAL HG13 1 1 8 6059 1 1 40 VAL HG21 H 7.020 -8.431 -1.027 1.00 . A A . 42 VAL HG21 1 1 8 6060 1 1 40 VAL HG22 H 5.845 -7.568 -0.034 1.00 . A A . 42 VAL HG22 1 1 8 6061 1 1 40 VAL HG23 H 5.993 -7.193 -1.751 1.00 . A A . 42 VAL HG23 1 1 8 6062 1 1 40 VAL N N 3.562 -7.604 -2.748 1.00 . A A . 42 VAL N 1 1 8 6063 1 1 40 VAL O O 4.133 -10.997 -3.675 1.00 . A A . 42 VAL O 1 1 8 6064 1 1 41 GLU C C 0.776 -10.780 -4.727 1.00 . A A . 43 GLU C 1 1 8 6065 1 1 41 GLU CA C 1.452 -11.098 -3.391 1.00 . A A . 43 GLU CA 1 1 8 6066 1 1 41 GLU CB C 0.385 -11.328 -2.319 1.00 . A A . 43 GLU CB 1 1 8 6067 1 1 41 GLU CD C -1.912 -10.384 -2.591 1.00 . A A . 43 GLU CD 1 1 8 6068 1 1 41 GLU CG C -0.474 -10.070 -2.173 1.00 . A A . 43 GLU CG 1 1 8 6069 1 1 41 GLU H H 1.924 -9.155 -2.587 1.00 . A A . 43 GLU H 1 1 8 6070 1 1 41 GLU HA H 2.054 -11.988 -3.497 1.00 . A A . 43 GLU HA 1 1 8 6071 1 1 41 GLU HB2 H -0.240 -12.160 -2.605 1.00 . A A . 43 GLU HB2 1 1 8 6072 1 1 41 GLU HB3 H 0.863 -11.544 -1.376 1.00 . A A . 43 GLU HB3 1 1 8 6073 1 1 41 GLU HG2 H -0.461 -9.743 -1.144 1.00 . A A . 43 GLU HG2 1 1 8 6074 1 1 41 GLU HG3 H -0.081 -9.291 -2.805 1.00 . A A . 43 GLU HG3 1 1 8 6075 1 1 41 GLU N N 2.321 -9.956 -2.991 1.00 . A A . 43 GLU N 1 1 8 6076 1 1 41 GLU O O 0.202 -11.640 -5.363 1.00 . A A . 43 GLU O 1 1 8 6077 1 1 41 GLU OE1 O -2.111 -11.402 -3.234 1.00 . A A . 43 GLU OE1 1 1 8 6078 1 1 41 GLU OE2 O -2.789 -9.603 -2.262 1.00 . A A . 43 GLU OE2 1 1 8 6079 1 1 42 SER C C 1.236 -9.250 -7.579 1.00 . A A . 44 SER C 1 1 8 6080 1 1 42 SER CA C 0.200 -9.179 -6.454 1.00 . A A . 44 SER CA 1 1 8 6081 1 1 42 SER CB C -0.353 -7.758 -6.359 1.00 . A A . 44 SER CB 1 1 8 6082 1 1 42 SER H H 1.310 -8.869 -4.630 1.00 . A A . 44 SER H 1 1 8 6083 1 1 42 SER HA H -0.606 -9.866 -6.664 1.00 . A A . 44 SER HA 1 1 8 6084 1 1 42 SER HB2 H 0.270 -7.168 -5.708 1.00 . A A . 44 SER HB2 1 1 8 6085 1 1 42 SER HB3 H -0.367 -7.312 -7.344 1.00 . A A . 44 SER HB3 1 1 8 6086 1 1 42 SER HG H -1.877 -6.940 -5.465 1.00 . A A . 44 SER HG 1 1 8 6087 1 1 42 SER N N 0.840 -9.549 -5.159 1.00 . A A . 44 SER N 1 1 8 6088 1 1 42 SER O O 0.908 -9.138 -8.744 1.00 . A A . 44 SER O 1 1 8 6089 1 1 42 SER OG O -1.672 -7.805 -5.827 1.00 . A A . 44 SER OG 1 1 8 6090 1 1 43 ASN C C 3.876 -8.113 -8.794 1.00 . A A . 45 ASN C 1 1 8 6091 1 1 43 ASN CA C 3.541 -9.518 -8.291 1.00 . A A . 45 ASN CA 1 1 8 6092 1 1 43 ASN CB C 3.041 -10.370 -9.459 1.00 . A A . 45 ASN CB 1 1 8 6093 1 1 43 ASN CG C 4.223 -11.090 -10.109 1.00 . A A . 45 ASN CG 1 1 8 6094 1 1 43 ASN H H 2.727 -9.525 -6.295 1.00 . A A . 45 ASN H 1 1 8 6095 1 1 43 ASN HA H 4.429 -9.969 -7.872 1.00 . A A . 45 ASN HA 1 1 8 6096 1 1 43 ASN HB2 H 2.330 -11.097 -9.096 1.00 . A A . 45 ASN HB2 1 1 8 6097 1 1 43 ASN HB3 H 2.564 -9.734 -10.189 1.00 . A A . 45 ASN HB3 1 1 8 6098 1 1 43 ASN HD21 H 3.255 -11.444 -11.804 1.00 . A A . 45 ASN HD21 1 1 8 6099 1 1 43 ASN HD22 H 4.851 -12.022 -11.746 1.00 . A A . 45 ASN HD22 1 1 8 6100 1 1 43 ASN N N 2.484 -9.437 -7.241 1.00 . A A . 45 ASN N 1 1 8 6101 1 1 43 ASN ND2 N 4.098 -11.558 -11.320 1.00 . A A . 45 ASN ND2 1 1 8 6102 1 1 43 ASN O O 4.462 -7.945 -9.846 1.00 . A A . 45 ASN O 1 1 8 6103 1 1 43 ASN OD1 O 5.272 -11.229 -9.509 1.00 . A A . 45 ASN OD1 1 1 8 6104 1 1 44 GLY C C 2.725 -5.220 -9.444 1.00 . A A . 46 GLY C 1 1 8 6105 1 1 44 GLY CA C 3.817 -5.712 -8.491 1.00 . A A . 46 GLY CA 1 1 8 6106 1 1 44 GLY H H 3.047 -7.261 -7.205 1.00 . A A . 46 GLY H 1 1 8 6107 1 1 44 GLY HA2 H 3.860 -5.064 -7.626 1.00 . A A . 46 GLY HA2 1 1 8 6108 1 1 44 GLY HA3 H 4.767 -5.695 -8.999 1.00 . A A . 46 GLY HA3 1 1 8 6109 1 1 44 GLY N N 3.514 -7.104 -8.051 1.00 . A A . 46 GLY N 1 1 8 6110 1 1 44 GLY O O 2.807 -4.135 -9.988 1.00 . A A . 46 GLY O 1 1 8 6111 1 1 45 THR C C -0.325 -4.612 -9.837 1.00 . A A . 47 THR C 1 1 8 6112 1 1 45 THR CA C 0.611 -5.575 -10.571 1.00 . A A . 47 THR CA 1 1 8 6113 1 1 45 THR CB C -0.176 -6.804 -11.031 1.00 . A A . 47 THR CB 1 1 8 6114 1 1 45 THR CG2 C 0.757 -7.756 -11.781 1.00 . A A . 47 THR CG2 1 1 8 6115 1 1 45 THR H H 1.655 -6.875 -9.205 1.00 . A A . 47 THR H 1 1 8 6116 1 1 45 THR HA H 1.038 -5.079 -11.430 1.00 . A A . 47 THR HA 1 1 8 6117 1 1 45 THR HB H -0.974 -6.494 -11.690 1.00 . A A . 47 THR HB 1 1 8 6118 1 1 45 THR HG1 H -0.791 -8.399 -10.103 1.00 . A A . 47 THR HG1 1 1 8 6119 1 1 45 THR HG21 H 0.543 -7.711 -12.839 1.00 . A A . 47 THR HG21 1 1 8 6120 1 1 45 THR HG22 H 0.604 -8.764 -11.424 1.00 . A A . 47 THR HG22 1 1 8 6121 1 1 45 THR HG23 H 1.782 -7.465 -11.608 1.00 . A A . 47 THR HG23 1 1 8 6122 1 1 45 THR N N 1.703 -6.005 -9.653 1.00 . A A . 47 THR N 1 1 8 6123 1 1 45 THR O O -1.278 -4.108 -10.397 1.00 . A A . 47 THR O 1 1 8 6124 1 1 45 THR OG1 O -0.724 -7.464 -9.898 1.00 . A A . 47 THR OG1 1 1 8 6125 1 1 46 LEU C C -0.275 -2.034 -7.782 1.00 . A A . 48 LEU C 1 1 8 6126 1 1 46 LEU CA C -0.925 -3.419 -7.811 1.00 . A A . 48 LEU CA 1 1 8 6127 1 1 46 LEU CB C -1.077 -3.949 -6.383 1.00 . A A . 48 LEU CB 1 1 8 6128 1 1 46 LEU CD1 C -3.346 -2.933 -6.134 1.00 . A A . 48 LEU CD1 1 1 8 6129 1 1 46 LEU CD2 C -1.978 -3.448 -4.109 1.00 . A A . 48 LEU CD2 1 1 8 6130 1 1 46 LEU CG C -1.927 -2.979 -5.566 1.00 . A A . 48 LEU CG 1 1 8 6131 1 1 46 LEU H H 0.717 -4.766 -8.154 1.00 . A A . 48 LEU H 1 1 8 6132 1 1 46 LEU HA H -1.898 -3.352 -8.277 1.00 . A A . 48 LEU HA 1 1 8 6133 1 1 46 LEU HB2 H -1.557 -4.917 -6.407 1.00 . A A . 48 LEU HB2 1 1 8 6134 1 1 46 LEU HB3 H -0.102 -4.042 -5.928 1.00 . A A . 48 LEU HB3 1 1 8 6135 1 1 46 LEU HD11 H -3.589 -3.888 -6.576 1.00 . A A . 48 LEU HD11 1 1 8 6136 1 1 46 LEU HD12 H -3.406 -2.163 -6.889 1.00 . A A . 48 LEU HD12 1 1 8 6137 1 1 46 LEU HD13 H -4.046 -2.715 -5.341 1.00 . A A . 48 LEU HD13 1 1 8 6138 1 1 46 LEU HD21 H -0.991 -3.751 -3.794 1.00 . A A . 48 LEU HD21 1 1 8 6139 1 1 46 LEU HD22 H -2.657 -4.283 -4.023 1.00 . A A . 48 LEU HD22 1 1 8 6140 1 1 46 LEU HD23 H -2.322 -2.637 -3.482 1.00 . A A . 48 LEU HD23 1 1 8 6141 1 1 46 LEU HG H -1.489 -1.996 -5.616 1.00 . A A . 48 LEU HG 1 1 8 6142 1 1 46 LEU N N -0.058 -4.350 -8.586 1.00 . A A . 48 LEU N 1 1 8 6143 1 1 46 LEU O O 0.882 -1.891 -7.440 1.00 . A A . 48 LEU O 1 1 8 6144 1 1 47 THR C C -1.228 1.287 -7.262 1.00 . A A . 49 THR C 1 1 8 6145 1 1 47 THR CA C -0.411 0.353 -8.156 1.00 . A A . 49 THR CA 1 1 8 6146 1 1 47 THR CB C -0.386 0.893 -9.589 1.00 . A A . 49 THR CB 1 1 8 6147 1 1 47 THR CG2 C 0.287 -0.126 -10.508 1.00 . A A . 49 THR CG2 1 1 8 6148 1 1 47 THR H H -1.932 -1.150 -8.435 1.00 . A A . 49 THR H 1 1 8 6149 1 1 47 THR HA H 0.598 0.307 -7.782 1.00 . A A . 49 THR HA 1 1 8 6150 1 1 47 THR HB H 0.169 1.816 -9.616 1.00 . A A . 49 THR HB 1 1 8 6151 1 1 47 THR HG1 H -1.745 0.956 -10.977 1.00 . A A . 49 THR HG1 1 1 8 6152 1 1 47 THR HG21 H 1.315 0.160 -10.671 1.00 . A A . 49 THR HG21 1 1 8 6153 1 1 47 THR HG22 H -0.234 -0.157 -11.453 1.00 . A A . 49 THR HG22 1 1 8 6154 1 1 47 THR HG23 H 0.254 -1.102 -10.046 1.00 . A A . 49 THR HG23 1 1 8 6155 1 1 47 THR N N -1.002 -1.014 -8.152 1.00 . A A . 49 THR N 1 1 8 6156 1 1 47 THR O O -1.832 0.875 -6.292 1.00 . A A . 49 THR O 1 1 8 6157 1 1 47 THR OG1 O -1.714 1.126 -10.033 1.00 . A A . 49 THR OG1 1 1 8 6158 1 1 48 LEU C C -2.982 4.269 -7.618 1.00 . A A . 50 LEU C 1 1 8 6159 1 1 48 LEU CA C -1.945 3.549 -6.752 1.00 . A A . 50 LEU CA 1 1 8 6160 1 1 48 LEU CB C -0.902 4.533 -6.176 1.00 . A A . 50 LEU CB 1 1 8 6161 1 1 48 LEU CD1 C -2.060 6.582 -5.301 1.00 . A A . 50 LEU CD1 1 1 8 6162 1 1 48 LEU CD2 C 0.091 6.773 -6.537 1.00 . A A . 50 LEU CD2 1 1 8 6163 1 1 48 LEU CG C -1.228 6.009 -6.447 1.00 . A A . 50 LEU CG 1 1 8 6164 1 1 48 LEU H H -0.700 2.846 -8.341 1.00 . A A . 50 LEU H 1 1 8 6165 1 1 48 LEU HA H -2.447 3.045 -5.936 1.00 . A A . 50 LEU HA 1 1 8 6166 1 1 48 LEU HB2 H -0.830 4.386 -5.114 1.00 . A A . 50 LEU HB2 1 1 8 6167 1 1 48 LEU HB3 H 0.053 4.307 -6.618 1.00 . A A . 50 LEU HB3 1 1 8 6168 1 1 48 LEU HD11 H -2.679 7.386 -5.670 1.00 . A A . 50 LEU HD11 1 1 8 6169 1 1 48 LEU HD12 H -1.399 6.961 -4.537 1.00 . A A . 50 LEU HD12 1 1 8 6170 1 1 48 LEU HD13 H -2.685 5.808 -4.885 1.00 . A A . 50 LEU HD13 1 1 8 6171 1 1 48 LEU HD21 H 0.077 7.599 -5.844 1.00 . A A . 50 LEU HD21 1 1 8 6172 1 1 48 LEU HD22 H 0.226 7.143 -7.542 1.00 . A A . 50 LEU HD22 1 1 8 6173 1 1 48 LEU HD23 H 0.906 6.106 -6.287 1.00 . A A . 50 LEU HD23 1 1 8 6174 1 1 48 LEU HG H -1.767 6.114 -7.376 1.00 . A A . 50 LEU HG 1 1 8 6175 1 1 48 LEU N N -1.215 2.551 -7.574 1.00 . A A . 50 LEU N 1 1 8 6176 1 1 48 LEU O O -2.818 4.431 -8.810 1.00 . A A . 50 LEU O 1 1 8 6177 1 1 49 SER C C -5.235 6.843 -7.097 1.00 . A A . 51 SER C 1 1 8 6178 1 1 49 SER CA C -5.083 5.467 -7.746 1.00 . A A . 51 SER CA 1 1 8 6179 1 1 49 SER CB C -6.409 4.711 -7.664 1.00 . A A . 51 SER CB 1 1 8 6180 1 1 49 SER H H -4.112 4.589 -6.043 1.00 . A A . 51 SER H 1 1 8 6181 1 1 49 SER HA H -4.789 5.580 -8.779 1.00 . A A . 51 SER HA 1 1 8 6182 1 1 49 SER HB2 H -6.550 4.126 -8.557 1.00 . A A . 51 SER HB2 1 1 8 6183 1 1 49 SER HB3 H -6.397 4.053 -6.805 1.00 . A A . 51 SER HB3 1 1 8 6184 1 1 49 SER HG H -8.296 5.160 -7.509 1.00 . A A . 51 SER HG 1 1 8 6185 1 1 49 SER N N -4.030 4.722 -7.004 1.00 . A A . 51 SER N 1 1 8 6186 1 1 49 SER O O -5.588 7.812 -7.738 1.00 . A A . 51 SER O 1 1 8 6187 1 1 49 SER OG O -7.472 5.648 -7.545 1.00 . A A . 51 SER OG 1 1 8 6188 1 1 50 HIS C C -4.850 7.967 -3.604 1.00 . A A . 52 HIS C 1 1 8 6189 1 1 50 HIS CA C -5.060 8.224 -5.107 1.00 . A A . 52 HIS CA 1 1 8 6190 1 1 50 HIS CB C -6.437 8.863 -5.411 1.00 . A A . 52 HIS CB 1 1 8 6191 1 1 50 HIS CD2 C -7.335 9.864 -3.149 1.00 . A A . 52 HIS CD2 1 1 8 6192 1 1 50 HIS CE1 C -8.869 8.392 -2.737 1.00 . A A . 52 HIS CE1 1 1 8 6193 1 1 50 HIS CG C -7.298 8.956 -4.177 1.00 . A A . 52 HIS CG 1 1 8 6194 1 1 50 HIS H H -4.667 6.128 -5.334 1.00 . A A . 52 HIS H 1 1 8 6195 1 1 50 HIS HA H -4.278 8.881 -5.461 1.00 . A A . 52 HIS HA 1 1 8 6196 1 1 50 HIS HB2 H -6.282 9.856 -5.806 1.00 . A A . 52 HIS HB2 1 1 8 6197 1 1 50 HIS HB3 H -6.943 8.265 -6.156 1.00 . A A . 52 HIS HB3 1 1 8 6198 1 1 50 HIS HD1 H -8.517 7.241 -4.435 1.00 . A A . 52 HIS HD1 1 1 8 6199 1 1 50 HIS HD2 H -6.690 10.727 -3.060 1.00 . A A . 52 HIS HD2 1 1 8 6200 1 1 50 HIS HE1 H -9.679 7.852 -2.269 1.00 . A A . 52 HIS HE1 1 1 8 6201 1 1 50 HIS N N -4.955 6.926 -5.824 1.00 . A A . 52 HIS N 1 1 8 6202 1 1 50 HIS ND1 N -8.286 8.025 -3.893 1.00 . A A . 52 HIS ND1 1 1 8 6203 1 1 50 HIS NE2 N -8.327 9.507 -2.241 1.00 . A A . 52 HIS NE2 1 1 8 6204 1 1 50 HIS O O -5.706 7.434 -2.925 1.00 . A A . 52 HIS O 1 1 8 6205 1 1 51 PHE C C -4.636 8.549 -0.817 1.00 . A A . 53 PHE C 1 1 8 6206 1 1 51 PHE CA C -3.434 8.085 -1.641 1.00 . A A . 53 PHE CA 1 1 8 6207 1 1 51 PHE CB C -2.180 8.854 -1.217 1.00 . A A . 53 PHE CB 1 1 8 6208 1 1 51 PHE CD1 C -0.937 6.828 -2.064 1.00 . A A . 53 PHE CD1 1 1 8 6209 1 1 51 PHE CD2 C 0.033 8.117 -0.254 1.00 . A A . 53 PHE CD2 1 1 8 6210 1 1 51 PHE CE1 C 0.159 5.955 -2.031 1.00 . A A . 53 PHE CE1 1 1 8 6211 1 1 51 PHE CE2 C 1.127 7.244 -0.221 1.00 . A A . 53 PHE CE2 1 1 8 6212 1 1 51 PHE CG C -1.001 7.910 -1.176 1.00 . A A . 53 PHE CG 1 1 8 6213 1 1 51 PHE CZ C 1.190 6.163 -1.108 1.00 . A A . 53 PHE CZ 1 1 8 6214 1 1 51 PHE H H -3.019 8.737 -3.652 1.00 . A A . 53 PHE H 1 1 8 6215 1 1 51 PHE HA H -3.276 7.029 -1.478 1.00 . A A . 53 PHE HA 1 1 8 6216 1 1 51 PHE HB2 H -1.985 9.643 -1.928 1.00 . A A . 53 PHE HB2 1 1 8 6217 1 1 51 PHE HB3 H -2.332 9.282 -0.238 1.00 . A A . 53 PHE HB3 1 1 8 6218 1 1 51 PHE HD1 H -1.736 6.665 -2.771 1.00 . A A . 53 PHE HD1 1 1 8 6219 1 1 51 PHE HD2 H -0.014 8.949 0.433 1.00 . A A . 53 PHE HD2 1 1 8 6220 1 1 51 PHE HE1 H 0.210 5.120 -2.718 1.00 . A A . 53 PHE HE1 1 1 8 6221 1 1 51 PHE HE2 H 1.924 7.405 0.492 1.00 . A A . 53 PHE HE2 1 1 8 6222 1 1 51 PHE HZ H 2.034 5.492 -1.082 1.00 . A A . 53 PHE HZ 1 1 8 6223 1 1 51 PHE N N -3.704 8.324 -3.086 1.00 . A A . 53 PHE N 1 1 8 6224 1 1 51 PHE O O -4.787 9.715 -0.509 1.00 . A A . 53 PHE O 1 1 8 6225 1 1 52 GLY C C -7.737 6.871 0.172 1.00 . A A . 54 GLY C 1 1 8 6226 1 1 52 GLY CA C -6.707 7.989 0.329 1.00 . A A . 54 GLY CA 1 1 8 6227 1 1 52 GLY H H -5.352 6.706 -0.734 1.00 . A A . 54 GLY H 1 1 8 6228 1 1 52 GLY HA2 H -6.437 8.095 1.371 1.00 . A A . 54 GLY HA2 1 1 8 6229 1 1 52 GLY HA3 H -7.123 8.915 -0.036 1.00 . A A . 54 GLY HA3 1 1 8 6230 1 1 52 GLY N N -5.498 7.635 -0.467 1.00 . A A . 54 GLY N 1 1 8 6231 1 1 52 GLY O O -7.663 6.075 -0.741 1.00 . A A . 54 GLY O 1 1 8 6232 1 1 53 LYS C C -10.594 5.970 -0.297 1.00 . A A . 55 LYS C 1 1 8 6233 1 1 53 LYS CA C -9.724 5.717 0.936 1.00 . A A . 55 LYS CA 1 1 8 6234 1 1 53 LYS CB C -10.604 5.704 2.190 1.00 . A A . 55 LYS CB 1 1 8 6235 1 1 53 LYS CD C -12.540 4.584 3.307 1.00 . A A . 55 LYS CD 1 1 8 6236 1 1 53 LYS CE C -11.672 3.962 4.402 1.00 . A A . 55 LYS CE 1 1 8 6237 1 1 53 LYS CG C -11.734 4.688 2.010 1.00 . A A . 55 LYS CG 1 1 8 6238 1 1 53 LYS H H -8.745 7.442 1.785 1.00 . A A . 55 LYS H 1 1 8 6239 1 1 53 LYS HA H -9.229 4.761 0.833 1.00 . A A . 55 LYS HA 1 1 8 6240 1 1 53 LYS HB2 H -10.006 5.430 3.047 1.00 . A A . 55 LYS HB2 1 1 8 6241 1 1 53 LYS HB3 H -11.026 6.685 2.343 1.00 . A A . 55 LYS HB3 1 1 8 6242 1 1 53 LYS HD2 H -12.857 5.571 3.613 1.00 . A A . 55 LYS HD2 1 1 8 6243 1 1 53 LYS HD3 H -13.408 3.963 3.142 1.00 . A A . 55 LYS HD3 1 1 8 6244 1 1 53 LYS HE2 H -10.732 3.642 3.979 1.00 . A A . 55 LYS HE2 1 1 8 6245 1 1 53 LYS HE3 H -11.490 4.694 5.175 1.00 . A A . 55 LYS HE3 1 1 8 6246 1 1 53 LYS HG2 H -12.381 5.009 1.207 1.00 . A A . 55 LYS HG2 1 1 8 6247 1 1 53 LYS HG3 H -11.316 3.722 1.770 1.00 . A A . 55 LYS HG3 1 1 8 6248 1 1 53 LYS HZ1 H -11.828 1.924 4.804 1.00 . A A . 55 LYS HZ1 1 1 8 6249 1 1 53 LYS HZ2 H -13.321 2.697 4.558 1.00 . A A . 55 LYS HZ2 1 1 8 6250 1 1 53 LYS HZ3 H -12.476 2.916 6.015 1.00 . A A . 55 LYS HZ3 1 1 8 6251 1 1 53 LYS N N -8.698 6.795 1.052 1.00 . A A . 55 LYS N 1 1 8 6252 1 1 53 LYS NZ N -12.378 2.787 4.989 1.00 . A A . 55 LYS NZ 1 1 8 6253 1 1 53 LYS O O -10.905 7.097 -0.628 1.00 . A A . 55 LYS O 1 1 8 6254 1 1 54 CYS C C -13.279 4.702 -1.867 1.00 . A A . 56 CYS C 1 1 8 6255 1 1 54 CYS CA C -11.839 5.107 -2.189 1.00 . A A . 56 CYS CA 1 1 8 6256 1 1 54 CYS CB C -11.304 4.226 -3.321 1.00 . A A . 56 CYS CB 1 1 8 6257 1 1 54 CYS H H -10.726 4.030 -0.692 1.00 . A A . 56 CYS H 1 1 8 6258 1 1 54 CYS HA H -11.817 6.142 -2.496 1.00 . A A . 56 CYS HA 1 1 8 6259 1 1 54 CYS HB2 H -10.664 3.460 -2.909 1.00 . A A . 56 CYS HB2 1 1 8 6260 1 1 54 CYS HB3 H -12.131 3.764 -3.839 1.00 . A A . 56 CYS HB3 1 1 8 6261 1 1 54 CYS N N -10.990 4.930 -0.978 1.00 . A A . 56 CYS N 1 1 8 6262 1 1 54 CYS O O -13.772 5.111 -0.829 1.00 . A A . 56 CYS O 1 1 8 6263 1 1 54 CYS OXT O -13.865 3.988 -2.665 1.00 . A A . 56 CYS OXT 1 1 8 6264 1 1 54 CYS SG S -10.356 5.241 -4.481 1.00 . A A . 56 CYS SG 1 1 9 6265 1 1 1 ALA C C 2.205 7.657 -10.409 1.00 . A A . 3 ALA C 1 1 9 6266 1 1 1 ALA CA C 1.033 7.386 -11.353 1.00 . A A . 3 ALA CA 1 1 9 6267 1 1 1 ALA CB C 1.011 8.448 -12.455 1.00 . A A . 3 ALA CB 1 1 9 6268 1 1 1 ALA H1 H -1.045 7.396 -11.250 1.00 . A A . 3 ALA H1 1 1 9 6269 1 1 1 ALA H2 H -0.287 8.324 -10.046 1.00 . A A . 3 ALA H2 1 1 9 6270 1 1 1 ALA H3 H -0.291 6.630 -9.939 1.00 . A A . 3 ALA H3 1 1 9 6271 1 1 1 ALA HA H 1.148 6.410 -11.798 1.00 . A A . 3 ALA HA 1 1 9 6272 1 1 1 ALA HB1 H 1.686 8.159 -13.248 1.00 . A A . 3 ALA HB1 1 1 9 6273 1 1 1 ALA HB2 H 1.324 9.397 -12.045 1.00 . A A . 3 ALA HB2 1 1 9 6274 1 1 1 ALA HB3 H 0.010 8.538 -12.848 1.00 . A A . 3 ALA HB3 1 1 9 6275 1 1 1 ALA N N -0.244 7.439 -10.589 1.00 . A A . 3 ALA N 1 1 9 6276 1 1 1 ALA O O 3.205 8.229 -10.794 1.00 . A A . 3 ALA O 1 1 9 6277 1 1 2 VAL C C 3.984 6.191 -7.998 1.00 . A A . 4 VAL C 1 1 9 6278 1 1 2 VAL CA C 3.200 7.488 -8.207 1.00 . A A . 4 VAL CA 1 1 9 6279 1 1 2 VAL CB C 2.619 7.952 -6.870 1.00 . A A . 4 VAL CB 1 1 9 6280 1 1 2 VAL CG1 C 3.726 8.588 -6.027 1.00 . A A . 4 VAL CG1 1 1 9 6281 1 1 2 VAL CG2 C 1.517 8.982 -7.126 1.00 . A A . 4 VAL CG2 1 1 9 6282 1 1 2 VAL H H 1.275 6.792 -8.882 1.00 . A A . 4 VAL H 1 1 9 6283 1 1 2 VAL HA H 3.860 8.248 -8.596 1.00 . A A . 4 VAL HA 1 1 9 6284 1 1 2 VAL HB H 2.206 7.104 -6.343 1.00 . A A . 4 VAL HB 1 1 9 6285 1 1 2 VAL HG11 H 3.957 9.568 -6.416 1.00 . A A . 4 VAL HG11 1 1 9 6286 1 1 2 VAL HG12 H 4.610 7.968 -6.067 1.00 . A A . 4 VAL HG12 1 1 9 6287 1 1 2 VAL HG13 H 3.394 8.675 -5.004 1.00 . A A . 4 VAL HG13 1 1 9 6288 1 1 2 VAL HG21 H 1.459 9.663 -6.289 1.00 . A A . 4 VAL HG21 1 1 9 6289 1 1 2 VAL HG22 H 0.572 8.476 -7.246 1.00 . A A . 4 VAL HG22 1 1 9 6290 1 1 2 VAL HG23 H 1.744 9.537 -8.026 1.00 . A A . 4 VAL HG23 1 1 9 6291 1 1 2 VAL N N 2.090 7.251 -9.175 1.00 . A A . 4 VAL N 1 1 9 6292 1 1 2 VAL O O 5.174 6.205 -7.759 1.00 . A A . 4 VAL O 1 1 9 6293 1 1 3 SER C C 4.967 3.877 -6.685 1.00 . A A . 5 SER C 1 1 9 6294 1 1 3 SER CA C 4.031 3.771 -7.892 1.00 . A A . 5 SER CA 1 1 9 6295 1 1 3 SER CB C 4.848 3.444 -9.142 1.00 . A A . 5 SER CB 1 1 9 6296 1 1 3 SER H H 2.364 5.080 -8.281 1.00 . A A . 5 SER H 1 1 9 6297 1 1 3 SER HA H 3.307 2.989 -7.719 1.00 . A A . 5 SER HA 1 1 9 6298 1 1 3 SER HB2 H 5.415 2.542 -8.978 1.00 . A A . 5 SER HB2 1 1 9 6299 1 1 3 SER HB3 H 4.179 3.298 -9.980 1.00 . A A . 5 SER HB3 1 1 9 6300 1 1 3 SER HG H 6.636 4.200 -9.262 1.00 . A A . 5 SER HG 1 1 9 6301 1 1 3 SER N N 3.325 5.069 -8.087 1.00 . A A . 5 SER N 1 1 9 6302 1 1 3 SER O O 6.168 4.004 -6.827 1.00 . A A . 5 SER O 1 1 9 6303 1 1 3 SER OG O 5.743 4.516 -9.413 1.00 . A A . 5 SER OG 1 1 9 6304 1 1 4 VAL C C 6.463 2.952 -4.413 1.00 . A A . 6 VAL C 1 1 9 6305 1 1 4 VAL CA C 5.287 3.922 -4.284 1.00 . A A . 6 VAL CA 1 1 9 6306 1 1 4 VAL CB C 4.466 3.562 -3.045 1.00 . A A . 6 VAL CB 1 1 9 6307 1 1 4 VAL CG1 C 5.388 3.491 -1.826 1.00 . A A . 6 VAL CG1 1 1 9 6308 1 1 4 VAL CG2 C 3.396 4.631 -2.811 1.00 . A A . 6 VAL CG2 1 1 9 6309 1 1 4 VAL H H 3.457 3.722 -5.403 1.00 . A A . 6 VAL H 1 1 9 6310 1 1 4 VAL HA H 5.660 4.931 -4.188 1.00 . A A . 6 VAL HA 1 1 9 6311 1 1 4 VAL HB H 3.993 2.602 -3.192 1.00 . A A . 6 VAL HB 1 1 9 6312 1 1 4 VAL HG11 H 4.798 3.331 -0.937 1.00 . A A . 6 VAL HG11 1 1 9 6313 1 1 4 VAL HG12 H 5.933 4.419 -1.733 1.00 . A A . 6 VAL HG12 1 1 9 6314 1 1 4 VAL HG13 H 6.085 2.675 -1.949 1.00 . A A . 6 VAL HG13 1 1 9 6315 1 1 4 VAL HG21 H 3.686 5.254 -1.976 1.00 . A A . 6 VAL HG21 1 1 9 6316 1 1 4 VAL HG22 H 2.451 4.154 -2.595 1.00 . A A . 6 VAL HG22 1 1 9 6317 1 1 4 VAL HG23 H 3.298 5.240 -3.697 1.00 . A A . 6 VAL HG23 1 1 9 6318 1 1 4 VAL N N 4.427 3.825 -5.497 1.00 . A A . 6 VAL N 1 1 9 6319 1 1 4 VAL O O 6.344 1.893 -4.996 1.00 . A A . 6 VAL O 1 1 9 6320 1 1 5 ASP C C 8.622 1.252 -2.965 1.00 . A A . 7 ASP C 1 1 9 6321 1 1 5 ASP CA C 8.778 2.399 -3.966 1.00 . A A . 7 ASP CA 1 1 9 6322 1 1 5 ASP CB C 10.051 3.185 -3.644 1.00 . A A . 7 ASP CB 1 1 9 6323 1 1 5 ASP CG C 11.233 2.220 -3.532 1.00 . A A . 7 ASP CG 1 1 9 6324 1 1 5 ASP H H 7.673 4.162 -3.406 1.00 . A A . 7 ASP H 1 1 9 6325 1 1 5 ASP HA H 8.846 1.997 -4.966 1.00 . A A . 7 ASP HA 1 1 9 6326 1 1 5 ASP HB2 H 10.242 3.899 -4.433 1.00 . A A . 7 ASP HB2 1 1 9 6327 1 1 5 ASP HB3 H 9.927 3.709 -2.709 1.00 . A A . 7 ASP HB3 1 1 9 6328 1 1 5 ASP N N 7.598 3.303 -3.873 1.00 . A A . 7 ASP N 1 1 9 6329 1 1 5 ASP O O 8.921 1.388 -1.796 1.00 . A A . 7 ASP O 1 1 9 6330 1 1 5 ASP OD1 O 11.280 1.281 -4.311 1.00 . A A . 7 ASP OD1 1 1 9 6331 1 1 5 ASP OD2 O 12.069 2.434 -2.671 1.00 . A A . 7 ASP OD2 1 1 9 6332 1 1 6 CYS C C 9.119 -2.031 -2.706 1.00 . A A . 8 CYS C 1 1 9 6333 1 1 6 CYS CA C 7.978 -1.035 -2.494 1.00 . A A . 8 CYS CA 1 1 9 6334 1 1 6 CYS CB C 6.641 -1.718 -2.783 1.00 . A A . 8 CYS CB 1 1 9 6335 1 1 6 CYS H H 7.918 0.031 -4.363 1.00 . A A . 8 CYS H 1 1 9 6336 1 1 6 CYS HA H 7.990 -0.685 -1.472 1.00 . A A . 8 CYS HA 1 1 9 6337 1 1 6 CYS HB2 H 6.635 -2.084 -3.799 1.00 . A A . 8 CYS HB2 1 1 9 6338 1 1 6 CYS HB3 H 6.502 -2.543 -2.101 1.00 . A A . 8 CYS HB3 1 1 9 6339 1 1 6 CYS N N 8.152 0.121 -3.417 1.00 . A A . 8 CYS N 1 1 9 6340 1 1 6 CYS O O 8.937 -3.228 -2.607 1.00 . A A . 8 CYS O 1 1 9 6341 1 1 6 CYS SG S 5.297 -0.525 -2.565 1.00 . A A . 8 CYS SG 1 1 9 6342 1 1 7 SER C C 11.894 -3.043 -1.878 1.00 . A A . 9 SER C 1 1 9 6343 1 1 7 SER CA C 11.446 -2.460 -3.219 1.00 . A A . 9 SER CA 1 1 9 6344 1 1 7 SER CB C 12.602 -1.681 -3.846 1.00 . A A . 9 SER CB 1 1 9 6345 1 1 7 SER H H 10.417 -0.575 -3.075 1.00 . A A . 9 SER H 1 1 9 6346 1 1 7 SER HA H 11.150 -3.262 -3.879 1.00 . A A . 9 SER HA 1 1 9 6347 1 1 7 SER HB2 H 12.282 -1.250 -4.780 1.00 . A A . 9 SER HB2 1 1 9 6348 1 1 7 SER HB3 H 12.908 -0.890 -3.173 1.00 . A A . 9 SER HB3 1 1 9 6349 1 1 7 SER HG H 13.838 -3.076 -3.287 1.00 . A A . 9 SER HG 1 1 9 6350 1 1 7 SER N N 10.292 -1.544 -3.000 1.00 . A A . 9 SER N 1 1 9 6351 1 1 7 SER O O 12.551 -4.063 -1.820 1.00 . A A . 9 SER O 1 1 9 6352 1 1 7 SER OG O 13.689 -2.565 -4.086 1.00 . A A . 9 SER OG 1 1 9 6353 1 1 8 GLU C C 10.919 -3.923 1.038 1.00 . A A . 10 GLU C 1 1 9 6354 1 1 8 GLU CA C 11.954 -2.911 0.540 1.00 . A A . 10 GLU CA 1 1 9 6355 1 1 8 GLU CB C 12.041 -1.746 1.526 1.00 . A A . 10 GLU CB 1 1 9 6356 1 1 8 GLU CD C 11.282 0.446 0.599 1.00 . A A . 10 GLU CD 1 1 9 6357 1 1 8 GLU CG C 10.839 -0.820 1.334 1.00 . A A . 10 GLU CG 1 1 9 6358 1 1 8 GLU H H 11.017 -1.578 -0.867 1.00 . A A . 10 GLU H 1 1 9 6359 1 1 8 GLU HA H 12.918 -3.392 0.463 1.00 . A A . 10 GLU HA 1 1 9 6360 1 1 8 GLU HB2 H 12.045 -2.128 2.538 1.00 . A A . 10 GLU HB2 1 1 9 6361 1 1 8 GLU HB3 H 12.950 -1.192 1.349 1.00 . A A . 10 GLU HB3 1 1 9 6362 1 1 8 GLU HG2 H 10.084 -1.329 0.752 1.00 . A A . 10 GLU HG2 1 1 9 6363 1 1 8 GLU HG3 H 10.431 -0.553 2.297 1.00 . A A . 10 GLU HG3 1 1 9 6364 1 1 8 GLU N N 11.546 -2.400 -0.799 1.00 . A A . 10 GLU N 1 1 9 6365 1 1 8 GLU O O 10.925 -4.317 2.188 1.00 . A A . 10 GLU O 1 1 9 6366 1 1 8 GLU OE1 O 12.464 0.749 0.642 1.00 . A A . 10 GLU OE1 1 1 9 6367 1 1 8 GLU OE2 O 10.434 1.091 0.006 1.00 . A A . 10 GLU OE2 1 1 9 6368 1 1 9 TYR C C 9.268 -6.681 -0.070 1.00 . A A . 11 TYR C 1 1 9 6369 1 1 9 TYR CA C 8.998 -5.335 0.609 1.00 . A A . 11 TYR CA 1 1 9 6370 1 1 9 TYR CB C 7.613 -4.819 0.213 1.00 . A A . 11 TYR CB 1 1 9 6371 1 1 9 TYR CD1 C 7.797 -2.449 1.039 1.00 . A A . 11 TYR CD1 1 1 9 6372 1 1 9 TYR CD2 C 6.250 -3.950 2.148 1.00 . A A . 11 TYR CD2 1 1 9 6373 1 1 9 TYR CE1 C 7.428 -1.420 1.914 1.00 . A A . 11 TYR CE1 1 1 9 6374 1 1 9 TYR CE2 C 5.880 -2.922 3.023 1.00 . A A . 11 TYR CE2 1 1 9 6375 1 1 9 TYR CG C 7.209 -3.714 1.155 1.00 . A A . 11 TYR CG 1 1 9 6376 1 1 9 TYR CZ C 6.467 -1.656 2.907 1.00 . A A . 11 TYR CZ 1 1 9 6377 1 1 9 TYR H H 10.041 -4.020 -0.740 1.00 . A A . 11 TYR H 1 1 9 6378 1 1 9 TYR HA H 9.042 -5.457 1.681 1.00 . A A . 11 TYR HA 1 1 9 6379 1 1 9 TYR HB2 H 7.645 -4.441 -0.798 1.00 . A A . 11 TYR HB2 1 1 9 6380 1 1 9 TYR HB3 H 6.895 -5.624 0.274 1.00 . A A . 11 TYR HB3 1 1 9 6381 1 1 9 TYR HD1 H 8.537 -2.268 0.275 1.00 . A A . 11 TYR HD1 1 1 9 6382 1 1 9 TYR HD2 H 5.797 -4.925 2.239 1.00 . A A . 11 TYR HD2 1 1 9 6383 1 1 9 TYR HE1 H 7.881 -0.443 1.824 1.00 . A A . 11 TYR HE1 1 1 9 6384 1 1 9 TYR HE2 H 5.140 -3.104 3.790 1.00 . A A . 11 TYR HE2 1 1 9 6385 1 1 9 TYR HH H 6.781 -0.571 4.445 1.00 . A A . 11 TYR HH 1 1 9 6386 1 1 9 TYR N N 10.030 -4.349 0.183 1.00 . A A . 11 TYR N 1 1 9 6387 1 1 9 TYR O O 9.955 -6.741 -1.069 1.00 . A A . 11 TYR O 1 1 9 6388 1 1 9 TYR OH O 6.103 -0.642 3.768 1.00 . A A . 11 TYR OH 1 1 9 6389 1 1 10 PRO C C 8.764 -7.404 2.955 1.00 . A A . 12 PRO C 1 1 9 6390 1 1 10 PRO CA C 7.894 -7.642 1.719 1.00 . A A . 12 PRO CA 1 1 9 6391 1 1 10 PRO CB C 7.205 -9.009 1.780 1.00 . A A . 12 PRO CB 1 1 9 6392 1 1 10 PRO CD C 8.912 -9.099 -0.008 1.00 . A A . 12 PRO CD 1 1 9 6393 1 1 10 PRO CG C 8.081 -9.975 0.949 1.00 . A A . 12 PRO CG 1 1 9 6394 1 1 10 PRO HA H 7.156 -6.865 1.620 1.00 . A A . 12 PRO HA 1 1 9 6395 1 1 10 PRO HB2 H 7.143 -9.347 2.806 1.00 . A A . 12 PRO HB2 1 1 9 6396 1 1 10 PRO HB3 H 6.220 -8.948 1.345 1.00 . A A . 12 PRO HB3 1 1 9 6397 1 1 10 PRO HD2 H 9.955 -9.383 0.030 1.00 . A A . 12 PRO HD2 1 1 9 6398 1 1 10 PRO HD3 H 8.533 -9.174 -1.016 1.00 . A A . 12 PRO HD3 1 1 9 6399 1 1 10 PRO HG2 H 8.734 -10.537 1.604 1.00 . A A . 12 PRO HG2 1 1 9 6400 1 1 10 PRO HG3 H 7.456 -10.646 0.380 1.00 . A A . 12 PRO HG3 1 1 9 6401 1 1 10 PRO N N 8.728 -7.727 0.504 1.00 . A A . 12 PRO N 1 1 9 6402 1 1 10 PRO O O 9.904 -7.820 3.017 1.00 . A A . 12 PRO O 1 1 9 6403 1 1 11 LYS C C 8.704 -7.513 6.219 1.00 . A A . 13 LYS C 1 1 9 6404 1 1 11 LYS CA C 9.022 -6.445 5.166 1.00 . A A . 13 LYS CA 1 1 9 6405 1 1 11 LYS CB C 8.659 -5.054 5.711 1.00 . A A . 13 LYS CB 1 1 9 6406 1 1 11 LYS CD C 9.012 -2.872 4.533 1.00 . A A . 13 LYS CD 1 1 9 6407 1 1 11 LYS CE C 9.001 -2.196 5.905 1.00 . A A . 13 LYS CE 1 1 9 6408 1 1 11 LYS CG C 8.163 -4.142 4.577 1.00 . A A . 13 LYS CG 1 1 9 6409 1 1 11 LYS H H 7.314 -6.394 3.858 1.00 . A A . 13 LYS H 1 1 9 6410 1 1 11 LYS HA H 10.076 -6.475 4.930 1.00 . A A . 13 LYS HA 1 1 9 6411 1 1 11 LYS HB2 H 7.882 -5.154 6.456 1.00 . A A . 13 LYS HB2 1 1 9 6412 1 1 11 LYS HB3 H 9.532 -4.609 6.163 1.00 . A A . 13 LYS HB3 1 1 9 6413 1 1 11 LYS HD2 H 10.025 -3.128 4.262 1.00 . A A . 13 LYS HD2 1 1 9 6414 1 1 11 LYS HD3 H 8.604 -2.193 3.798 1.00 . A A . 13 LYS HD3 1 1 9 6415 1 1 11 LYS HE2 H 8.414 -1.292 5.855 1.00 . A A . 13 LYS HE2 1 1 9 6416 1 1 11 LYS HE3 H 8.569 -2.867 6.633 1.00 . A A . 13 LYS HE3 1 1 9 6417 1 1 11 LYS HG2 H 8.243 -4.654 3.631 1.00 . A A . 13 LYS HG2 1 1 9 6418 1 1 11 LYS HG3 H 7.133 -3.876 4.757 1.00 . A A . 13 LYS HG3 1 1 9 6419 1 1 11 LYS HZ1 H 10.929 -2.740 6.473 1.00 . A A . 13 LYS HZ1 1 1 9 6420 1 1 11 LYS HZ2 H 10.381 -1.294 7.176 1.00 . A A . 13 LYS HZ2 1 1 9 6421 1 1 11 LYS HZ3 H 10.856 -1.322 5.545 1.00 . A A . 13 LYS HZ3 1 1 9 6422 1 1 11 LYS N N 8.233 -6.727 3.936 1.00 . A A . 13 LYS N 1 1 9 6423 1 1 11 LYS NZ N 10.397 -1.863 6.305 1.00 . A A . 13 LYS NZ 1 1 9 6424 1 1 11 LYS O O 7.806 -8.310 6.035 1.00 . A A . 13 LYS O 1 1 9 6425 1 1 12 PRO C C 8.105 -8.080 9.280 1.00 . A A . 14 PRO C 1 1 9 6426 1 1 12 PRO CA C 9.287 -8.472 8.387 1.00 . A A . 14 PRO CA 1 1 9 6427 1 1 12 PRO CB C 10.608 -8.380 9.156 1.00 . A A . 14 PRO CB 1 1 9 6428 1 1 12 PRO CD C 10.551 -6.534 7.505 1.00 . A A . 14 PRO CD 1 1 9 6429 1 1 12 PRO CG C 11.217 -6.998 8.813 1.00 . A A . 14 PRO CG 1 1 9 6430 1 1 12 PRO HA H 9.157 -9.470 7.999 1.00 . A A . 14 PRO HA 1 1 9 6431 1 1 12 PRO HB2 H 10.422 -8.456 10.219 1.00 . A A . 14 PRO HB2 1 1 9 6432 1 1 12 PRO HB3 H 11.279 -9.163 8.838 1.00 . A A . 14 PRO HB3 1 1 9 6433 1 1 12 PRO HD2 H 10.155 -5.535 7.621 1.00 . A A . 14 PRO HD2 1 1 9 6434 1 1 12 PRO HD3 H 11.253 -6.574 6.687 1.00 . A A . 14 PRO HD3 1 1 9 6435 1 1 12 PRO HG2 H 11.008 -6.297 9.610 1.00 . A A . 14 PRO HG2 1 1 9 6436 1 1 12 PRO HG3 H 12.282 -7.090 8.668 1.00 . A A . 14 PRO HG3 1 1 9 6437 1 1 12 PRO N N 9.458 -7.505 7.290 1.00 . A A . 14 PRO N 1 1 9 6438 1 1 12 PRO O O 7.675 -8.845 10.120 1.00 . A A . 14 PRO O 1 1 9 6439 1 1 13 ALA C C 5.836 -5.170 9.424 1.00 . A A . 15 ALA C 1 1 9 6440 1 1 13 ALA CA C 6.424 -6.477 9.959 1.00 . A A . 15 ALA CA 1 1 9 6441 1 1 13 ALA CB C 6.902 -6.266 11.396 1.00 . A A . 15 ALA CB 1 1 9 6442 1 1 13 ALA H H 7.933 -6.293 8.428 1.00 . A A . 15 ALA H 1 1 9 6443 1 1 13 ALA HA H 5.665 -7.244 9.943 1.00 . A A . 15 ALA HA 1 1 9 6444 1 1 13 ALA HB1 H 6.065 -6.357 12.071 1.00 . A A . 15 ALA HB1 1 1 9 6445 1 1 13 ALA HB2 H 7.336 -5.281 11.491 1.00 . A A . 15 ALA HB2 1 1 9 6446 1 1 13 ALA HB3 H 7.644 -7.012 11.642 1.00 . A A . 15 ALA HB3 1 1 9 6447 1 1 13 ALA N N 7.575 -6.900 9.110 1.00 . A A . 15 ALA N 1 1 9 6448 1 1 13 ALA O O 6.284 -4.636 8.428 1.00 . A A . 15 ALA O 1 1 9 6449 1 1 14 CYS C C 4.155 -2.388 10.780 1.00 . A A . 16 CYS C 1 1 9 6450 1 1 14 CYS CA C 4.217 -3.377 9.616 1.00 . A A . 16 CYS CA 1 1 9 6451 1 1 14 CYS CB C 2.796 -3.646 9.111 1.00 . A A . 16 CYS CB 1 1 9 6452 1 1 14 CYS H H 4.491 -5.096 10.882 1.00 . A A . 16 CYS H 1 1 9 6453 1 1 14 CYS HA H 4.812 -2.957 8.821 1.00 . A A . 16 CYS HA 1 1 9 6454 1 1 14 CYS HB2 H 2.323 -4.378 9.748 1.00 . A A . 16 CYS HB2 1 1 9 6455 1 1 14 CYS HB3 H 2.227 -2.728 9.134 1.00 . A A . 16 CYS HB3 1 1 9 6456 1 1 14 CYS N N 4.835 -4.650 10.081 1.00 . A A . 16 CYS N 1 1 9 6457 1 1 14 CYS O O 4.331 -2.748 11.926 1.00 . A A . 16 CYS O 1 1 9 6458 1 1 14 CYS SG S 2.853 -4.277 7.414 1.00 . A A . 16 CYS SG 1 1 9 6459 1 1 15 THR C C 2.352 0.070 11.969 1.00 . A A . 17 THR C 1 1 9 6460 1 1 15 THR CA C 3.816 -0.129 11.582 1.00 . A A . 17 THR CA 1 1 9 6461 1 1 15 THR CB C 4.401 1.197 11.092 1.00 . A A . 17 THR CB 1 1 9 6462 1 1 15 THR CG2 C 5.888 1.262 11.443 1.00 . A A . 17 THR CG2 1 1 9 6463 1 1 15 THR H H 3.753 -0.873 9.563 1.00 . A A . 17 THR H 1 1 9 6464 1 1 15 THR HA H 4.371 -0.477 12.440 1.00 . A A . 17 THR HA 1 1 9 6465 1 1 15 THR HB H 3.887 2.017 11.571 1.00 . A A . 17 THR HB 1 1 9 6466 1 1 15 THR HG1 H 3.308 1.439 9.502 1.00 . A A . 17 THR HG1 1 1 9 6467 1 1 15 THR HG21 H 6.045 0.839 12.425 1.00 . A A . 17 THR HG21 1 1 9 6468 1 1 15 THR HG22 H 6.215 2.292 11.438 1.00 . A A . 17 THR HG22 1 1 9 6469 1 1 15 THR HG23 H 6.454 0.700 10.716 1.00 . A A . 17 THR HG23 1 1 9 6470 1 1 15 THR N N 3.898 -1.142 10.494 1.00 . A A . 17 THR N 1 1 9 6471 1 1 15 THR O O 1.460 -0.503 11.375 1.00 . A A . 17 THR O 1 1 9 6472 1 1 15 THR OG1 O 4.239 1.294 9.685 1.00 . A A . 17 THR OG1 1 1 9 6473 1 1 16 MET C C 0.064 2.203 12.494 1.00 . A A . 18 MET C 1 1 9 6474 1 1 16 MET CA C 0.681 1.112 13.372 1.00 . A A . 18 MET CA 1 1 9 6475 1 1 16 MET CB C 0.646 1.551 14.839 1.00 . A A . 18 MET CB 1 1 9 6476 1 1 16 MET CE C -2.003 -0.414 17.273 1.00 . A A . 18 MET CE 1 1 9 6477 1 1 16 MET CG C 0.031 0.435 15.686 1.00 . A A . 18 MET CG 1 1 9 6478 1 1 16 MET H H 2.824 1.336 13.423 1.00 . A A . 18 MET H 1 1 9 6479 1 1 16 MET HA H 0.119 0.197 13.258 1.00 . A A . 18 MET HA 1 1 9 6480 1 1 16 MET HB2 H 1.651 1.750 15.179 1.00 . A A . 18 MET HB2 1 1 9 6481 1 1 16 MET HB3 H 0.047 2.445 14.932 1.00 . A A . 18 MET HB3 1 1 9 6482 1 1 16 MET HE1 H -2.505 -0.829 16.410 1.00 . A A . 18 MET HE1 1 1 9 6483 1 1 16 MET HE2 H -2.724 -0.231 18.053 1.00 . A A . 18 MET HE2 1 1 9 6484 1 1 16 MET HE3 H -1.256 -1.111 17.631 1.00 . A A . 18 MET HE3 1 1 9 6485 1 1 16 MET HG2 H -0.447 -0.286 15.039 1.00 . A A . 18 MET HG2 1 1 9 6486 1 1 16 MET HG3 H 0.805 -0.052 16.259 1.00 . A A . 18 MET HG3 1 1 9 6487 1 1 16 MET N N 2.092 0.881 12.958 1.00 . A A . 18 MET N 1 1 9 6488 1 1 16 MET O O -0.993 2.725 12.786 1.00 . A A . 18 MET O 1 1 9 6489 1 1 16 MET SD S -1.199 1.141 16.812 1.00 . A A . 18 MET SD 1 1 9 6490 1 1 17 GLU C C -1.267 3.252 10.133 1.00 . A A . 19 GLU C 1 1 9 6491 1 1 17 GLU CA C 0.169 3.606 10.521 1.00 . A A . 19 GLU CA 1 1 9 6492 1 1 17 GLU CB C 1.030 3.699 9.259 1.00 . A A . 19 GLU CB 1 1 9 6493 1 1 17 GLU CD C 2.043 5.619 8.020 1.00 . A A . 19 GLU CD 1 1 9 6494 1 1 17 GLU CG C 0.735 5.012 8.532 1.00 . A A . 19 GLU CG 1 1 9 6495 1 1 17 GLU H H 1.570 2.118 11.199 1.00 . A A . 19 GLU H 1 1 9 6496 1 1 17 GLU HA H 0.179 4.557 11.034 1.00 . A A . 19 GLU HA 1 1 9 6497 1 1 17 GLU HB2 H 2.075 3.665 9.533 1.00 . A A . 19 GLU HB2 1 1 9 6498 1 1 17 GLU HB3 H 0.803 2.870 8.605 1.00 . A A . 19 GLU HB3 1 1 9 6499 1 1 17 GLU HG2 H 0.075 4.821 7.696 1.00 . A A . 19 GLU HG2 1 1 9 6500 1 1 17 GLU HG3 H 0.262 5.704 9.212 1.00 . A A . 19 GLU HG3 1 1 9 6501 1 1 17 GLU N N 0.718 2.552 11.419 1.00 . A A . 19 GLU N 1 1 9 6502 1 1 17 GLU O O -1.669 2.105 10.184 1.00 . A A . 19 GLU O 1 1 9 6503 1 1 17 GLU OE1 O 2.652 6.373 8.761 1.00 . A A . 19 GLU OE1 1 1 9 6504 1 1 17 GLU OE2 O 2.413 5.318 6.897 1.00 . A A . 19 GLU OE2 1 1 9 6505 1 1 18 TYR C C -3.832 4.797 8.149 1.00 . A A . 20 TYR C 1 1 9 6506 1 1 18 TYR CA C -3.455 3.941 9.355 1.00 . A A . 20 TYR CA 1 1 9 6507 1 1 18 TYR CB C -4.380 4.278 10.517 1.00 . A A . 20 TYR CB 1 1 9 6508 1 1 18 TYR CD1 C -5.765 2.231 10.018 1.00 . A A . 20 TYR CD1 1 1 9 6509 1 1 18 TYR CD2 C -6.898 4.338 10.419 1.00 . A A . 20 TYR CD2 1 1 9 6510 1 1 18 TYR CE1 C -7.001 1.603 9.827 1.00 . A A . 20 TYR CE1 1 1 9 6511 1 1 18 TYR CE2 C -8.134 3.708 10.229 1.00 . A A . 20 TYR CE2 1 1 9 6512 1 1 18 TYR CG C -5.713 3.599 10.315 1.00 . A A . 20 TYR CG 1 1 9 6513 1 1 18 TYR CZ C -8.186 2.341 9.931 1.00 . A A . 20 TYR CZ 1 1 9 6514 1 1 18 TYR H H -1.702 5.141 9.710 1.00 . A A . 20 TYR H 1 1 9 6515 1 1 18 TYR HA H -3.556 2.898 9.101 1.00 . A A . 20 TYR HA 1 1 9 6516 1 1 18 TYR HB2 H -3.937 3.938 11.442 1.00 . A A . 20 TYR HB2 1 1 9 6517 1 1 18 TYR HB3 H -4.524 5.347 10.557 1.00 . A A . 20 TYR HB3 1 1 9 6518 1 1 18 TYR HD1 H -4.850 1.662 9.936 1.00 . A A . 20 TYR HD1 1 1 9 6519 1 1 18 TYR HD2 H -6.857 5.392 10.649 1.00 . A A . 20 TYR HD2 1 1 9 6520 1 1 18 TYR HE1 H -7.041 0.548 9.597 1.00 . A A . 20 TYR HE1 1 1 9 6521 1 1 18 TYR HE2 H -9.046 4.278 10.310 1.00 . A A . 20 TYR HE2 1 1 9 6522 1 1 18 TYR HH H -9.584 1.706 8.798 1.00 . A A . 20 TYR HH 1 1 9 6523 1 1 18 TYR N N -2.046 4.224 9.744 1.00 . A A . 20 TYR N 1 1 9 6524 1 1 18 TYR O O -4.948 5.258 8.019 1.00 . A A . 20 TYR O 1 1 9 6525 1 1 18 TYR OH O -9.404 1.723 9.742 1.00 . A A . 20 TYR OH 1 1 9 6526 1 1 19 ARG C C -3.904 4.970 5.018 1.00 . A A . 21 ARG C 1 1 9 6527 1 1 19 ARG CA C -3.183 5.832 6.061 1.00 . A A . 21 ARG CA 1 1 9 6528 1 1 19 ARG CB C -1.863 6.342 5.475 1.00 . A A . 21 ARG CB 1 1 9 6529 1 1 19 ARG CD C -2.295 8.796 5.663 1.00 . A A . 21 ARG CD 1 1 9 6530 1 1 19 ARG CG C -1.453 7.633 6.187 1.00 . A A . 21 ARG CG 1 1 9 6531 1 1 19 ARG CZ C -2.127 10.412 3.867 1.00 . A A . 21 ARG CZ 1 1 9 6532 1 1 19 ARG H H -2.015 4.621 7.405 1.00 . A A . 21 ARG H 1 1 9 6533 1 1 19 ARG HA H -3.800 6.672 6.338 1.00 . A A . 21 ARG HA 1 1 9 6534 1 1 19 ARG HB2 H -1.096 5.592 5.615 1.00 . A A . 21 ARG HB2 1 1 9 6535 1 1 19 ARG HB3 H -1.988 6.537 4.421 1.00 . A A . 21 ARG HB3 1 1 9 6536 1 1 19 ARG HD2 H -3.203 8.413 5.222 1.00 . A A . 21 ARG HD2 1 1 9 6537 1 1 19 ARG HD3 H -2.543 9.458 6.480 1.00 . A A . 21 ARG HD3 1 1 9 6538 1 1 19 ARG HE H -0.559 9.391 4.533 1.00 . A A . 21 ARG HE 1 1 9 6539 1 1 19 ARG HG2 H -1.611 7.523 7.250 1.00 . A A . 21 ARG HG2 1 1 9 6540 1 1 19 ARG HG3 H -0.408 7.834 5.996 1.00 . A A . 21 ARG HG3 1 1 9 6541 1 1 19 ARG HH11 H -3.784 9.305 3.663 1.00 . A A . 21 ARG HH11 1 1 9 6542 1 1 19 ARG HH12 H -3.792 10.826 2.833 1.00 . A A . 21 ARG HH12 1 1 9 6543 1 1 19 ARG HH21 H -0.611 11.720 3.894 1.00 . A A . 21 ARG HH21 1 1 9 6544 1 1 19 ARG HH22 H -1.995 12.194 2.966 1.00 . A A . 21 ARG HH22 1 1 9 6545 1 1 19 ARG N N -2.901 5.008 7.269 1.00 . A A . 21 ARG N 1 1 9 6546 1 1 19 ARG NE N -1.522 9.547 4.633 1.00 . A A . 21 ARG NE 1 1 9 6547 1 1 19 ARG NH1 N -3.327 10.161 3.420 1.00 . A A . 21 ARG NH1 1 1 9 6548 1 1 19 ARG NH2 N -1.531 11.530 3.550 1.00 . A A . 21 ARG NH2 1 1 9 6549 1 1 19 ARG O O -3.437 3.902 4.677 1.00 . A A . 21 ARG O 1 1 9 6550 1 1 20 PRO C C -5.222 4.897 2.145 1.00 . A A . 22 PRO C 1 1 9 6551 1 1 20 PRO CA C -5.832 4.734 3.540 1.00 . A A . 22 PRO CA 1 1 9 6552 1 1 20 PRO CB C -7.199 5.416 3.620 1.00 . A A . 22 PRO CB 1 1 9 6553 1 1 20 PRO CD C -5.598 6.752 4.955 1.00 . A A . 22 PRO CD 1 1 9 6554 1 1 20 PRO CG C -6.951 6.820 4.223 1.00 . A A . 22 PRO CG 1 1 9 6555 1 1 20 PRO HA H -5.924 3.691 3.798 1.00 . A A . 22 PRO HA 1 1 9 6556 1 1 20 PRO HB2 H -7.628 5.503 2.630 1.00 . A A . 22 PRO HB2 1 1 9 6557 1 1 20 PRO HB3 H -7.858 4.857 4.264 1.00 . A A . 22 PRO HB3 1 1 9 6558 1 1 20 PRO HD2 H -4.958 7.565 4.639 1.00 . A A . 22 PRO HD2 1 1 9 6559 1 1 20 PRO HD3 H -5.743 6.774 6.023 1.00 . A A . 22 PRO HD3 1 1 9 6560 1 1 20 PRO HG2 H -6.912 7.558 3.433 1.00 . A A . 22 PRO HG2 1 1 9 6561 1 1 20 PRO HG3 H -7.732 7.066 4.923 1.00 . A A . 22 PRO HG3 1 1 9 6562 1 1 20 PRO N N -5.026 5.453 4.543 1.00 . A A . 22 PRO N 1 1 9 6563 1 1 20 PRO O O -5.141 5.986 1.618 1.00 . A A . 22 PRO O 1 1 9 6564 1 1 21 LEU C C -5.055 3.122 -0.801 1.00 . A A . 23 LEU C 1 1 9 6565 1 1 21 LEU CA C -4.195 3.909 0.184 1.00 . A A . 23 LEU CA 1 1 9 6566 1 1 21 LEU CB C -2.787 3.313 0.209 1.00 . A A . 23 LEU CB 1 1 9 6567 1 1 21 LEU CD1 C -1.019 3.761 1.916 1.00 . A A . 23 LEU CD1 1 1 9 6568 1 1 21 LEU CD2 C -0.829 4.750 -0.370 1.00 . A A . 23 LEU CD2 1 1 9 6569 1 1 21 LEU CG C -1.802 4.354 0.743 1.00 . A A . 23 LEU CG 1 1 9 6570 1 1 21 LEU H H -4.871 2.951 1.989 1.00 . A A . 23 LEU H 1 1 9 6571 1 1 21 LEU HA H -4.144 4.943 -0.121 1.00 . A A . 23 LEU HA 1 1 9 6572 1 1 21 LEU HB2 H -2.777 2.444 0.850 1.00 . A A . 23 LEU HB2 1 1 9 6573 1 1 21 LEU HB3 H -2.500 3.027 -0.795 1.00 . A A . 23 LEU HB3 1 1 9 6574 1 1 21 LEU HD11 H -0.018 4.167 1.921 1.00 . A A . 23 LEU HD11 1 1 9 6575 1 1 21 LEU HD12 H -0.972 2.688 1.811 1.00 . A A . 23 LEU HD12 1 1 9 6576 1 1 21 LEU HD13 H -1.514 4.012 2.842 1.00 . A A . 23 LEU HD13 1 1 9 6577 1 1 21 LEU HD21 H -1.313 5.446 -1.040 1.00 . A A . 23 LEU HD21 1 1 9 6578 1 1 21 LEU HD22 H -0.530 3.870 -0.919 1.00 . A A . 23 LEU HD22 1 1 9 6579 1 1 21 LEU HD23 H 0.042 5.216 0.064 1.00 . A A . 23 LEU HD23 1 1 9 6580 1 1 21 LEU HG H -2.346 5.225 1.078 1.00 . A A . 23 LEU HG 1 1 9 6581 1 1 21 LEU N N -4.796 3.820 1.546 1.00 . A A . 23 LEU N 1 1 9 6582 1 1 21 LEU O O -5.212 1.924 -0.677 1.00 . A A . 23 LEU O 1 1 9 6583 1 1 22 CYS C C -5.564 2.575 -3.931 1.00 . A A . 24 CYS C 1 1 9 6584 1 1 22 CYS CA C -6.446 3.033 -2.770 1.00 . A A . 24 CYS CA 1 1 9 6585 1 1 22 CYS CB C -7.564 3.932 -3.303 1.00 . A A . 24 CYS CB 1 1 9 6586 1 1 22 CYS H H -5.471 4.743 -1.885 1.00 . A A . 24 CYS H 1 1 9 6587 1 1 22 CYS HA H -6.881 2.171 -2.285 1.00 . A A . 24 CYS HA 1 1 9 6588 1 1 22 CYS HB2 H -7.429 4.936 -2.935 1.00 . A A . 24 CYS HB2 1 1 9 6589 1 1 22 CYS HB3 H -7.539 3.938 -4.383 1.00 . A A . 24 CYS HB3 1 1 9 6590 1 1 22 CYS N N -5.609 3.774 -1.787 1.00 . A A . 24 CYS N 1 1 9 6591 1 1 22 CYS O O -5.304 3.325 -4.851 1.00 . A A . 24 CYS O 1 1 9 6592 1 1 22 CYS SG S -9.155 3.283 -2.742 1.00 . A A . 24 CYS SG 1 1 9 6593 1 1 23 GLY C C -5.007 0.898 -6.307 1.00 . A A . 25 GLY C 1 1 9 6594 1 1 23 GLY CA C -4.236 0.845 -4.990 1.00 . A A . 25 GLY CA 1 1 9 6595 1 1 23 GLY H H -5.316 0.775 -3.136 1.00 . A A . 25 GLY H 1 1 9 6596 1 1 23 GLY HA2 H -3.351 1.458 -5.062 1.00 . A A . 25 GLY HA2 1 1 9 6597 1 1 23 GLY HA3 H -3.952 -0.175 -4.783 1.00 . A A . 25 GLY HA3 1 1 9 6598 1 1 23 GLY N N -5.099 1.355 -3.891 1.00 . A A . 25 GLY N 1 1 9 6599 1 1 23 GLY O O -6.222 0.922 -6.322 1.00 . A A . 25 GLY O 1 1 9 6600 1 1 24 SER C C -6.093 -0.085 -8.821 1.00 . A A . 26 SER C 1 1 9 6601 1 1 24 SER CA C -4.981 0.968 -8.745 1.00 . A A . 26 SER CA 1 1 9 6602 1 1 24 SER CB C -3.953 0.697 -9.842 1.00 . A A . 26 SER CB 1 1 9 6603 1 1 24 SER H H -3.325 0.892 -7.370 1.00 . A A . 26 SER H 1 1 9 6604 1 1 24 SER HA H -5.406 1.949 -8.890 1.00 . A A . 26 SER HA 1 1 9 6605 1 1 24 SER HB2 H -3.439 1.612 -10.090 1.00 . A A . 26 SER HB2 1 1 9 6606 1 1 24 SER HB3 H -3.237 -0.033 -9.491 1.00 . A A . 26 SER HB3 1 1 9 6607 1 1 24 SER HG H -4.897 -0.694 -10.821 1.00 . A A . 26 SER HG 1 1 9 6608 1 1 24 SER N N -4.305 0.914 -7.414 1.00 . A A . 26 SER N 1 1 9 6609 1 1 24 SER O O -6.979 0.000 -9.648 1.00 . A A . 26 SER O 1 1 9 6610 1 1 24 SER OG O -4.620 0.208 -10.998 1.00 . A A . 26 SER OG 1 1 9 6611 1 1 25 ASP C C -8.333 -1.655 -7.181 1.00 . A A . 27 ASP C 1 1 9 6612 1 1 25 ASP CA C -7.122 -2.122 -7.995 1.00 . A A . 27 ASP CA 1 1 9 6613 1 1 25 ASP CB C -6.571 -3.413 -7.389 1.00 . A A . 27 ASP CB 1 1 9 6614 1 1 25 ASP CG C -6.338 -3.217 -5.890 1.00 . A A . 27 ASP CG 1 1 9 6615 1 1 25 ASP H H -5.342 -1.124 -7.308 1.00 . A A . 27 ASP H 1 1 9 6616 1 1 25 ASP HA H -7.423 -2.304 -9.016 1.00 . A A . 27 ASP HA 1 1 9 6617 1 1 25 ASP HB2 H -7.280 -4.215 -7.542 1.00 . A A . 27 ASP HB2 1 1 9 6618 1 1 25 ASP HB3 H -5.637 -3.663 -7.866 1.00 . A A . 27 ASP HB3 1 1 9 6619 1 1 25 ASP N N -6.061 -1.073 -7.967 1.00 . A A . 27 ASP N 1 1 9 6620 1 1 25 ASP O O -9.115 -2.452 -6.702 1.00 . A A . 27 ASP O 1 1 9 6621 1 1 25 ASP OD1 O -5.943 -2.126 -5.511 1.00 . A A . 27 ASP OD1 1 1 9 6622 1 1 25 ASP OD2 O -6.558 -4.159 -5.147 1.00 . A A . 27 ASP OD2 1 1 9 6623 1 1 26 ASN C C -9.690 -0.547 -4.881 1.00 . A A . 28 ASN C 1 1 9 6624 1 1 26 ASN CA C -9.643 0.151 -6.237 1.00 . A A . 28 ASN CA 1 1 9 6625 1 1 26 ASN CB C -10.944 -0.121 -6.997 1.00 . A A . 28 ASN CB 1 1 9 6626 1 1 26 ASN CG C -11.845 1.113 -6.915 1.00 . A A . 28 ASN CG 1 1 9 6627 1 1 26 ASN H H -7.848 0.251 -7.409 1.00 . A A . 28 ASN H 1 1 9 6628 1 1 26 ASN HA H -9.527 1.215 -6.090 1.00 . A A . 28 ASN HA 1 1 9 6629 1 1 26 ASN HB2 H -10.718 -0.335 -8.031 1.00 . A A . 28 ASN HB2 1 1 9 6630 1 1 26 ASN HB3 H -11.452 -0.964 -6.555 1.00 . A A . 28 ASN HB3 1 1 9 6631 1 1 26 ASN HD21 H -13.351 0.258 -7.887 1.00 . A A . 28 ASN HD21 1 1 9 6632 1 1 26 ASN HD22 H -13.621 1.860 -7.394 1.00 . A A . 28 ASN HD22 1 1 9 6633 1 1 26 ASN N N -8.490 -0.371 -7.020 1.00 . A A . 28 ASN N 1 1 9 6634 1 1 26 ASN ND2 N -13.038 1.074 -7.442 1.00 . A A . 28 ASN ND2 1 1 9 6635 1 1 26 ASN O O -10.739 -0.927 -4.401 1.00 . A A . 28 ASN O 1 1 9 6636 1 1 26 ASN OD1 O -11.460 2.124 -6.362 1.00 . A A . 28 ASN OD1 1 1 9 6637 1 1 27 LYS C C -7.934 -0.472 -1.878 1.00 . A A . 29 LYS C 1 1 9 6638 1 1 27 LYS CA C -8.543 -1.403 -2.931 1.00 . A A . 29 LYS CA 1 1 9 6639 1 1 27 LYS CB C -7.709 -2.680 -3.029 1.00 . A A . 29 LYS CB 1 1 9 6640 1 1 27 LYS CD C -8.950 -4.502 -1.852 1.00 . A A . 29 LYS CD 1 1 9 6641 1 1 27 LYS CE C -9.143 -5.216 -0.513 1.00 . A A . 29 LYS CE 1 1 9 6642 1 1 27 LYS CG C -7.831 -3.467 -1.724 1.00 . A A . 29 LYS CG 1 1 9 6643 1 1 27 LYS H H -7.717 -0.413 -4.664 1.00 . A A . 29 LYS H 1 1 9 6644 1 1 27 LYS HA H -9.553 -1.655 -2.647 1.00 . A A . 29 LYS HA 1 1 9 6645 1 1 27 LYS HB2 H -8.068 -3.285 -3.850 1.00 . A A . 29 LYS HB2 1 1 9 6646 1 1 27 LYS HB3 H -6.673 -2.424 -3.196 1.00 . A A . 29 LYS HB3 1 1 9 6647 1 1 27 LYS HD2 H -9.868 -4.006 -2.132 1.00 . A A . 29 LYS HD2 1 1 9 6648 1 1 27 LYS HD3 H -8.687 -5.226 -2.609 1.00 . A A . 29 LYS HD3 1 1 9 6649 1 1 27 LYS HE2 H -8.678 -4.640 0.273 1.00 . A A . 29 LYS HE2 1 1 9 6650 1 1 27 LYS HE3 H -10.199 -5.317 -0.308 1.00 . A A . 29 LYS HE3 1 1 9 6651 1 1 27 LYS HG2 H -6.895 -3.966 -1.519 1.00 . A A . 29 LYS HG2 1 1 9 6652 1 1 27 LYS HG3 H -8.062 -2.787 -0.919 1.00 . A A . 29 LYS HG3 1 1 9 6653 1 1 27 LYS HZ1 H -9.214 -7.285 -0.287 1.00 . A A . 29 LYS HZ1 1 1 9 6654 1 1 27 LYS HZ2 H -7.701 -6.600 0.070 1.00 . A A . 29 LYS HZ2 1 1 9 6655 1 1 27 LYS HZ3 H -8.205 -6.762 -1.545 1.00 . A A . 29 LYS HZ3 1 1 9 6656 1 1 27 LYS N N -8.557 -0.723 -4.258 1.00 . A A . 29 LYS N 1 1 9 6657 1 1 27 LYS NZ N -8.519 -6.568 -0.574 1.00 . A A . 29 LYS NZ 1 1 9 6658 1 1 27 LYS O O -6.832 0.005 -2.027 1.00 . A A . 29 LYS O 1 1 9 6659 1 1 28 THR C C -7.101 -0.093 1.115 1.00 . A A . 30 THR C 1 1 9 6660 1 1 28 THR CA C -8.084 0.689 0.242 1.00 . A A . 30 THR CA 1 1 9 6661 1 1 28 THR CB C -9.219 1.231 1.115 1.00 . A A . 30 THR CB 1 1 9 6662 1 1 28 THR CG2 C -8.652 2.260 2.093 1.00 . A A . 30 THR CG2 1 1 9 6663 1 1 28 THR H H -9.531 -0.606 -0.701 1.00 . A A . 30 THR H 1 1 9 6664 1 1 28 THR HA H -7.568 1.514 -0.228 1.00 . A A . 30 THR HA 1 1 9 6665 1 1 28 THR HB H -9.664 0.419 1.669 1.00 . A A . 30 THR HB 1 1 9 6666 1 1 28 THR HG1 H -10.053 1.567 -0.615 1.00 . A A . 30 THR HG1 1 1 9 6667 1 1 28 THR HG21 H -8.061 2.984 1.552 1.00 . A A . 30 THR HG21 1 1 9 6668 1 1 28 THR HG22 H -8.029 1.759 2.820 1.00 . A A . 30 THR HG22 1 1 9 6669 1 1 28 THR HG23 H -9.463 2.761 2.600 1.00 . A A . 30 THR HG23 1 1 9 6670 1 1 28 THR N N -8.640 -0.212 -0.811 1.00 . A A . 30 THR N 1 1 9 6671 1 1 28 THR O O -7.253 -1.279 1.326 1.00 . A A . 30 THR O 1 1 9 6672 1 1 28 THR OG1 O -10.204 1.844 0.292 1.00 . A A . 30 THR OG1 1 1 9 6673 1 1 29 TYR C C -4.965 0.548 3.817 1.00 . A A . 31 TYR C 1 1 9 6674 1 1 29 TYR CA C -5.089 -0.146 2.461 1.00 . A A . 31 TYR CA 1 1 9 6675 1 1 29 TYR CB C -3.745 -0.127 1.744 1.00 . A A . 31 TYR CB 1 1 9 6676 1 1 29 TYR CD1 C -3.727 -2.571 1.137 1.00 . A A . 31 TYR CD1 1 1 9 6677 1 1 29 TYR CD2 C -3.717 -0.925 -0.642 1.00 . A A . 31 TYR CD2 1 1 9 6678 1 1 29 TYR CE1 C -3.722 -3.599 0.188 1.00 . A A . 31 TYR CE1 1 1 9 6679 1 1 29 TYR CE2 C -3.716 -1.952 -1.593 1.00 . A A . 31 TYR CE2 1 1 9 6680 1 1 29 TYR CG C -3.724 -1.235 0.722 1.00 . A A . 31 TYR CG 1 1 9 6681 1 1 29 TYR CZ C -3.717 -3.288 -1.177 1.00 . A A . 31 TYR CZ 1 1 9 6682 1 1 29 TYR H H -5.970 1.511 1.427 1.00 . A A . 31 TYR H 1 1 9 6683 1 1 29 TYR HA H -5.398 -1.167 2.611 1.00 . A A . 31 TYR HA 1 1 9 6684 1 1 29 TYR HB2 H -3.611 0.825 1.251 1.00 . A A . 31 TYR HB2 1 1 9 6685 1 1 29 TYR HB3 H -2.957 -0.276 2.459 1.00 . A A . 31 TYR HB3 1 1 9 6686 1 1 29 TYR HD1 H -3.731 -2.810 2.192 1.00 . A A . 31 TYR HD1 1 1 9 6687 1 1 29 TYR HD2 H -3.714 0.106 -0.961 1.00 . A A . 31 TYR HD2 1 1 9 6688 1 1 29 TYR HE1 H -3.724 -4.630 0.507 1.00 . A A . 31 TYR HE1 1 1 9 6689 1 1 29 TYR HE2 H -3.710 -1.713 -2.645 1.00 . A A . 31 TYR HE2 1 1 9 6690 1 1 29 TYR HH H -4.545 -4.783 -2.028 1.00 . A A . 31 TYR HH 1 1 9 6691 1 1 29 TYR N N -6.085 0.561 1.616 1.00 . A A . 31 TYR N 1 1 9 6692 1 1 29 TYR O O -5.419 1.658 4.005 1.00 . A A . 31 TYR O 1 1 9 6693 1 1 29 TYR OH O -3.719 -4.300 -2.115 1.00 . A A . 31 TYR OH 1 1 9 6694 1 1 30 GLY C C -2.970 1.411 6.118 1.00 . A A . 32 GLY C 1 1 9 6695 1 1 30 GLY CA C -4.194 0.497 6.114 1.00 . A A . 32 GLY CA 1 1 9 6696 1 1 30 GLY H H -3.998 -1.003 4.583 1.00 . A A . 32 GLY H 1 1 9 6697 1 1 30 GLY HA2 H -5.076 1.070 6.358 1.00 . A A . 32 GLY HA2 1 1 9 6698 1 1 30 GLY HA3 H -4.058 -0.285 6.845 1.00 . A A . 32 GLY HA3 1 1 9 6699 1 1 30 GLY N N -4.353 -0.109 4.763 1.00 . A A . 32 GLY N 1 1 9 6700 1 1 30 GLY O O -2.851 2.301 6.938 1.00 . A A . 32 GLY O 1 1 9 6701 1 1 31 ASN C C 0.105 1.551 4.076 1.00 . A A . 33 ASN C 1 1 9 6702 1 1 31 ASN CA C -0.850 2.065 5.155 1.00 . A A . 33 ASN CA 1 1 9 6703 1 1 31 ASN CB C -0.144 2.052 6.515 1.00 . A A . 33 ASN CB 1 1 9 6704 1 1 31 ASN CG C -0.029 0.614 7.022 1.00 . A A . 33 ASN CG 1 1 9 6705 1 1 31 ASN H H -2.181 0.482 4.549 1.00 . A A . 33 ASN H 1 1 9 6706 1 1 31 ASN HA H -1.143 3.076 4.917 1.00 . A A . 33 ASN HA 1 1 9 6707 1 1 31 ASN HB2 H 0.844 2.477 6.411 1.00 . A A . 33 ASN HB2 1 1 9 6708 1 1 31 ASN HB3 H -0.715 2.634 7.222 1.00 . A A . 33 ASN HB3 1 1 9 6709 1 1 31 ASN HD21 H 0.085 1.146 8.932 1.00 . A A . 33 ASN HD21 1 1 9 6710 1 1 31 ASN HD22 H 0.154 -0.525 8.639 1.00 . A A . 33 ASN HD22 1 1 9 6711 1 1 31 ASN N N -2.061 1.203 5.206 1.00 . A A . 33 ASN N 1 1 9 6712 1 1 31 ASN ND2 N 0.078 0.393 8.304 1.00 . A A . 33 ASN ND2 1 1 9 6713 1 1 31 ASN O O -0.108 0.511 3.484 1.00 . A A . 33 ASN O 1 1 9 6714 1 1 31 ASN OD1 O -0.034 -0.319 6.246 1.00 . A A . 33 ASN OD1 1 1 9 6715 1 1 32 LYS C C 2.666 0.466 3.063 1.00 . A A . 34 LYS C 1 1 9 6716 1 1 32 LYS CA C 2.123 1.866 2.763 1.00 . A A . 34 LYS CA 1 1 9 6717 1 1 32 LYS CB C 3.286 2.860 2.722 1.00 . A A . 34 LYS CB 1 1 9 6718 1 1 32 LYS CD C 5.291 3.448 1.351 1.00 . A A . 34 LYS CD 1 1 9 6719 1 1 32 LYS CE C 6.152 3.955 2.509 1.00 . A A . 34 LYS CE 1 1 9 6720 1 1 32 LYS CG C 4.402 2.301 1.837 1.00 . A A . 34 LYS CG 1 1 9 6721 1 1 32 LYS H H 1.284 3.119 4.296 1.00 . A A . 34 LYS H 1 1 9 6722 1 1 32 LYS HA H 1.631 1.857 1.802 1.00 . A A . 34 LYS HA 1 1 9 6723 1 1 32 LYS HB2 H 2.941 3.801 2.318 1.00 . A A . 34 LYS HB2 1 1 9 6724 1 1 32 LYS HB3 H 3.663 3.013 3.723 1.00 . A A . 34 LYS HB3 1 1 9 6725 1 1 32 LYS HD2 H 5.930 3.094 0.554 1.00 . A A . 34 LYS HD2 1 1 9 6726 1 1 32 LYS HD3 H 4.671 4.252 0.985 1.00 . A A . 34 LYS HD3 1 1 9 6727 1 1 32 LYS HE2 H 6.122 5.035 2.533 1.00 . A A . 34 LYS HE2 1 1 9 6728 1 1 32 LYS HE3 H 5.772 3.564 3.440 1.00 . A A . 34 LYS HE3 1 1 9 6729 1 1 32 LYS HG2 H 4.996 1.600 2.406 1.00 . A A . 34 LYS HG2 1 1 9 6730 1 1 32 LYS HG3 H 3.970 1.798 0.986 1.00 . A A . 34 LYS HG3 1 1 9 6731 1 1 32 LYS HZ1 H 8.104 3.688 3.182 1.00 . A A . 34 LYS HZ1 1 1 9 6732 1 1 32 LYS HZ2 H 7.984 4.024 1.521 1.00 . A A . 34 LYS HZ2 1 1 9 6733 1 1 32 LYS HZ3 H 7.572 2.486 2.112 1.00 . A A . 34 LYS HZ3 1 1 9 6734 1 1 32 LYS N N 1.147 2.284 3.810 1.00 . A A . 34 LYS N 1 1 9 6735 1 1 32 LYS NZ N 7.560 3.504 2.317 1.00 . A A . 34 LYS NZ 1 1 9 6736 1 1 32 LYS O O 3.264 -0.163 2.215 1.00 . A A . 34 LYS O 1 1 9 6737 1 1 33 CYS C C 2.011 -2.428 3.987 1.00 . A A . 35 CYS C 1 1 9 6738 1 1 33 CYS CA C 2.981 -1.396 4.561 1.00 . A A . 35 CYS CA 1 1 9 6739 1 1 33 CYS CB C 3.083 -1.563 6.072 1.00 . A A . 35 CYS CB 1 1 9 6740 1 1 33 CYS H H 1.980 0.468 4.936 1.00 . A A . 35 CYS H 1 1 9 6741 1 1 33 CYS HA H 3.954 -1.526 4.115 1.00 . A A . 35 CYS HA 1 1 9 6742 1 1 33 CYS HB2 H 3.542 -0.683 6.500 1.00 . A A . 35 CYS HB2 1 1 9 6743 1 1 33 CYS HB3 H 2.094 -1.686 6.484 1.00 . A A . 35 CYS HB3 1 1 9 6744 1 1 33 CYS N N 2.467 -0.038 4.252 1.00 . A A . 35 CYS N 1 1 9 6745 1 1 33 CYS O O 2.409 -3.444 3.453 1.00 . A A . 35 CYS O 1 1 9 6746 1 1 33 CYS SG S 4.096 -3.016 6.445 1.00 . A A . 35 CYS SG 1 1 9 6747 1 1 34 ASN C C -0.366 -2.854 2.010 1.00 . A A . 36 ASN C 1 1 9 6748 1 1 34 ASN CA C -0.267 -3.100 3.517 1.00 . A A . 36 ASN CA 1 1 9 6749 1 1 34 ASN CB C -1.623 -2.831 4.170 1.00 . A A . 36 ASN CB 1 1 9 6750 1 1 34 ASN CG C -2.270 -4.158 4.574 1.00 . A A . 36 ASN CG 1 1 9 6751 1 1 34 ASN H H 0.441 -1.327 4.493 1.00 . A A . 36 ASN H 1 1 9 6752 1 1 34 ASN HA H 0.039 -4.119 3.705 1.00 . A A . 36 ASN HA 1 1 9 6753 1 1 34 ASN HB2 H -1.484 -2.215 5.048 1.00 . A A . 36 ASN HB2 1 1 9 6754 1 1 34 ASN HB3 H -2.261 -2.318 3.470 1.00 . A A . 36 ASN HB3 1 1 9 6755 1 1 34 ASN HD21 H -0.971 -4.509 6.033 1.00 . A A . 36 ASN HD21 1 1 9 6756 1 1 34 ASN HD22 H -2.167 -5.695 5.826 1.00 . A A . 36 ASN HD22 1 1 9 6757 1 1 34 ASN N N 0.738 -2.160 4.075 1.00 . A A . 36 ASN N 1 1 9 6758 1 1 34 ASN ND2 N -1.761 -4.844 5.559 1.00 . A A . 36 ASN ND2 1 1 9 6759 1 1 34 ASN O O -0.849 -3.679 1.262 1.00 . A A . 36 ASN O 1 1 9 6760 1 1 34 ASN OD1 O -3.249 -4.572 3.987 1.00 . A A . 36 ASN OD1 1 1 9 6761 1 1 35 PHE C C 1.220 -2.055 -0.590 1.00 . A A . 37 PHE C 1 1 9 6762 1 1 35 PHE CA C 0.046 -1.383 0.121 1.00 . A A . 37 PHE CA 1 1 9 6763 1 1 35 PHE CB C 0.154 0.136 -0.040 1.00 . A A . 37 PHE CB 1 1 9 6764 1 1 35 PHE CD1 C -0.958 0.522 -2.270 1.00 . A A . 37 PHE CD1 1 1 9 6765 1 1 35 PHE CD2 C 1.444 0.807 -2.100 1.00 . A A . 37 PHE CD2 1 1 9 6766 1 1 35 PHE CE1 C -0.902 0.860 -3.626 1.00 . A A . 37 PHE CE1 1 1 9 6767 1 1 35 PHE CE2 C 1.500 1.147 -3.456 1.00 . A A . 37 PHE CE2 1 1 9 6768 1 1 35 PHE CG C 0.215 0.495 -1.506 1.00 . A A . 37 PHE CG 1 1 9 6769 1 1 35 PHE CZ C 0.328 1.173 -4.219 1.00 . A A . 37 PHE CZ 1 1 9 6770 1 1 35 PHE H H 0.482 -1.071 2.201 1.00 . A A . 37 PHE H 1 1 9 6771 1 1 35 PHE HA H -0.884 -1.730 -0.303 1.00 . A A . 37 PHE HA 1 1 9 6772 1 1 35 PHE HB2 H -0.705 0.609 0.412 1.00 . A A . 37 PHE HB2 1 1 9 6773 1 1 35 PHE HB3 H 1.053 0.485 0.449 1.00 . A A . 37 PHE HB3 1 1 9 6774 1 1 35 PHE HD1 H -1.906 0.280 -1.812 1.00 . A A . 37 PHE HD1 1 1 9 6775 1 1 35 PHE HD2 H 2.348 0.787 -1.510 1.00 . A A . 37 PHE HD2 1 1 9 6776 1 1 35 PHE HE1 H -1.805 0.879 -4.216 1.00 . A A . 37 PHE HE1 1 1 9 6777 1 1 35 PHE HE2 H 2.448 1.388 -3.913 1.00 . A A . 37 PHE HE2 1 1 9 6778 1 1 35 PHE HZ H 0.372 1.435 -5.266 1.00 . A A . 37 PHE HZ 1 1 9 6779 1 1 35 PHE N N 0.096 -1.715 1.571 1.00 . A A . 37 PHE N 1 1 9 6780 1 1 35 PHE O O 1.074 -2.624 -1.653 1.00 . A A . 37 PHE O 1 1 9 6781 1 1 36 CYS C C 3.506 -4.142 -0.430 1.00 . A A . 38 CYS C 1 1 9 6782 1 1 36 CYS CA C 3.571 -2.630 -0.641 1.00 . A A . 38 CYS CA 1 1 9 6783 1 1 36 CYS CB C 4.848 -2.074 -0.009 1.00 . A A . 38 CYS CB 1 1 9 6784 1 1 36 CYS H H 2.480 -1.533 0.851 1.00 . A A . 38 CYS H 1 1 9 6785 1 1 36 CYS HA H 3.570 -2.416 -1.700 1.00 . A A . 38 CYS HA 1 1 9 6786 1 1 36 CYS HB2 H 4.756 -2.097 1.067 1.00 . A A . 38 CYS HB2 1 1 9 6787 1 1 36 CYS HB3 H 5.690 -2.678 -0.310 1.00 . A A . 38 CYS HB3 1 1 9 6788 1 1 36 CYS N N 2.385 -1.995 -0.006 1.00 . A A . 38 CYS N 1 1 9 6789 1 1 36 CYS O O 3.977 -4.912 -1.243 1.00 . A A . 38 CYS O 1 1 9 6790 1 1 36 CYS SG S 5.097 -0.370 -0.561 1.00 . A A . 38 CYS SG 1 1 9 6791 1 1 37 ASN C C 1.746 -6.622 -0.009 1.00 . A A . 39 ASN C 1 1 9 6792 1 1 37 ASN CA C 2.819 -6.040 0.902 1.00 . A A . 39 ASN CA 1 1 9 6793 1 1 37 ASN CB C 2.451 -6.295 2.364 1.00 . A A . 39 ASN CB 1 1 9 6794 1 1 37 ASN CG C 3.719 -6.606 3.162 1.00 . A A . 39 ASN CG 1 1 9 6795 1 1 37 ASN H H 2.537 -3.940 1.292 1.00 . A A . 39 ASN H 1 1 9 6796 1 1 37 ASN HA H 3.763 -6.507 0.676 1.00 . A A . 39 ASN HA 1 1 9 6797 1 1 37 ASN HB2 H 1.973 -5.416 2.773 1.00 . A A . 39 ASN HB2 1 1 9 6798 1 1 37 ASN HB3 H 1.774 -7.134 2.426 1.00 . A A . 39 ASN HB3 1 1 9 6799 1 1 37 ASN HD21 H 3.015 -5.837 4.852 1.00 . A A . 39 ASN HD21 1 1 9 6800 1 1 37 ASN HD22 H 4.585 -6.474 4.943 1.00 . A A . 39 ASN HD22 1 1 9 6801 1 1 37 ASN N N 2.919 -4.577 0.652 1.00 . A A . 39 ASN N 1 1 9 6802 1 1 37 ASN ND2 N 3.778 -6.279 4.425 1.00 . A A . 39 ASN ND2 1 1 9 6803 1 1 37 ASN O O 1.931 -7.655 -0.621 1.00 . A A . 39 ASN O 1 1 9 6804 1 1 37 ASN OD1 O 4.665 -7.153 2.631 1.00 . A A . 39 ASN OD1 1 1 9 6805 1 1 38 ALA C C 0.186 -6.542 -2.431 1.00 . A A . 40 ALA C 1 1 9 6806 1 1 38 ALA CA C -0.422 -6.464 -1.038 1.00 . A A . 40 ALA CA 1 1 9 6807 1 1 38 ALA CB C -1.612 -5.504 -1.053 1.00 . A A . 40 ALA CB 1 1 9 6808 1 1 38 ALA H H 0.514 -5.111 0.350 1.00 . A A . 40 ALA H 1 1 9 6809 1 1 38 ALA HA H -0.741 -7.446 -0.718 1.00 . A A . 40 ALA HA 1 1 9 6810 1 1 38 ALA HB1 H -1.893 -5.298 -2.076 1.00 . A A . 40 ALA HB1 1 1 9 6811 1 1 38 ALA HB2 H -1.339 -4.582 -0.564 1.00 . A A . 40 ALA HB2 1 1 9 6812 1 1 38 ALA HB3 H -2.447 -5.954 -0.535 1.00 . A A . 40 ALA HB3 1 1 9 6813 1 1 38 ALA N N 0.636 -5.953 -0.131 1.00 . A A . 40 ALA N 1 1 9 6814 1 1 38 ALA O O -0.149 -7.393 -3.233 1.00 . A A . 40 ALA O 1 1 9 6815 1 1 39 VAL C C 2.732 -6.855 -4.085 1.00 . A A . 41 VAL C 1 1 9 6816 1 1 39 VAL CA C 1.781 -5.662 -4.029 1.00 . A A . 41 VAL CA 1 1 9 6817 1 1 39 VAL CB C 2.576 -4.365 -4.197 1.00 . A A . 41 VAL CB 1 1 9 6818 1 1 39 VAL CG1 C 3.467 -4.467 -5.437 1.00 . A A . 41 VAL CG1 1 1 9 6819 1 1 39 VAL CG2 C 1.609 -3.191 -4.361 1.00 . A A . 41 VAL CG2 1 1 9 6820 1 1 39 VAL H H 1.361 -4.997 -2.029 1.00 . A A . 41 VAL H 1 1 9 6821 1 1 39 VAL HA H 1.045 -5.744 -4.816 1.00 . A A . 41 VAL HA 1 1 9 6822 1 1 39 VAL HB H 3.193 -4.208 -3.324 1.00 . A A . 41 VAL HB 1 1 9 6823 1 1 39 VAL HG11 H 4.031 -3.554 -5.552 1.00 . A A . 41 VAL HG11 1 1 9 6824 1 1 39 VAL HG12 H 2.851 -4.622 -6.311 1.00 . A A . 41 VAL HG12 1 1 9 6825 1 1 39 VAL HG13 H 4.147 -5.298 -5.325 1.00 . A A . 41 VAL HG13 1 1 9 6826 1 1 39 VAL HG21 H 1.947 -2.359 -3.761 1.00 . A A . 41 VAL HG21 1 1 9 6827 1 1 39 VAL HG22 H 0.622 -3.489 -4.039 1.00 . A A . 41 VAL HG22 1 1 9 6828 1 1 39 VAL HG23 H 1.574 -2.895 -5.400 1.00 . A A . 41 VAL HG23 1 1 9 6829 1 1 39 VAL N N 1.106 -5.658 -2.708 1.00 . A A . 41 VAL N 1 1 9 6830 1 1 39 VAL O O 2.959 -7.436 -5.127 1.00 . A A . 41 VAL O 1 1 9 6831 1 1 40 VAL C C 3.407 -9.662 -3.253 1.00 . A A . 42 VAL C 1 1 9 6832 1 1 40 VAL CA C 4.208 -8.397 -2.945 1.00 . A A . 42 VAL CA 1 1 9 6833 1 1 40 VAL CB C 4.851 -8.520 -1.560 1.00 . A A . 42 VAL CB 1 1 9 6834 1 1 40 VAL CG1 C 5.528 -9.885 -1.431 1.00 . A A . 42 VAL CG1 1 1 9 6835 1 1 40 VAL CG2 C 5.895 -7.414 -1.382 1.00 . A A . 42 VAL CG2 1 1 9 6836 1 1 40 VAL H H 3.078 -6.756 -2.128 1.00 . A A . 42 VAL H 1 1 9 6837 1 1 40 VAL HA H 4.975 -8.262 -3.693 1.00 . A A . 42 VAL HA 1 1 9 6838 1 1 40 VAL HB H 4.088 -8.425 -0.802 1.00 . A A . 42 VAL HB 1 1 9 6839 1 1 40 VAL HG11 H 6.501 -9.762 -0.979 1.00 . A A . 42 VAL HG11 1 1 9 6840 1 1 40 VAL HG12 H 5.640 -10.326 -2.411 1.00 . A A . 42 VAL HG12 1 1 9 6841 1 1 40 VAL HG13 H 4.922 -10.529 -0.814 1.00 . A A . 42 VAL HG13 1 1 9 6842 1 1 40 VAL HG21 H 6.071 -6.930 -2.330 1.00 . A A . 42 VAL HG21 1 1 9 6843 1 1 40 VAL HG22 H 6.817 -7.846 -1.021 1.00 . A A . 42 VAL HG22 1 1 9 6844 1 1 40 VAL HG23 H 5.532 -6.689 -0.669 1.00 . A A . 42 VAL HG23 1 1 9 6845 1 1 40 VAL N N 3.282 -7.234 -2.961 1.00 . A A . 42 VAL N 1 1 9 6846 1 1 40 VAL O O 3.886 -10.575 -3.896 1.00 . A A . 42 VAL O 1 1 9 6847 1 1 41 GLU C C 0.710 -10.784 -4.455 1.00 . A A . 43 GLU C 1 1 9 6848 1 1 41 GLU CA C 1.343 -10.914 -3.069 1.00 . A A . 43 GLU CA 1 1 9 6849 1 1 41 GLU CB C 0.241 -11.013 -2.010 1.00 . A A . 43 GLU CB 1 1 9 6850 1 1 41 GLU CD C 1.250 -12.544 -0.315 1.00 . A A . 43 GLU CD 1 1 9 6851 1 1 41 GLU CG C 0.874 -11.094 -0.618 1.00 . A A . 43 GLU CG 1 1 9 6852 1 1 41 GLU H H 1.819 -8.961 -2.290 1.00 . A A . 43 GLU H 1 1 9 6853 1 1 41 GLU HA H 1.958 -11.801 -3.034 1.00 . A A . 43 GLU HA 1 1 9 6854 1 1 41 GLU HB2 H -0.392 -10.140 -2.067 1.00 . A A . 43 GLU HB2 1 1 9 6855 1 1 41 GLU HB3 H -0.348 -11.899 -2.186 1.00 . A A . 43 GLU HB3 1 1 9 6856 1 1 41 GLU HG2 H 1.762 -10.476 -0.590 1.00 . A A . 43 GLU HG2 1 1 9 6857 1 1 41 GLU HG3 H 0.168 -10.744 0.120 1.00 . A A . 43 GLU HG3 1 1 9 6858 1 1 41 GLU N N 2.185 -9.715 -2.801 1.00 . A A . 43 GLU N 1 1 9 6859 1 1 41 GLU O O 0.187 -11.735 -5.002 1.00 . A A . 43 GLU O 1 1 9 6860 1 1 41 GLU OE1 O 0.349 -13.332 -0.081 1.00 . A A . 43 GLU OE1 1 1 9 6861 1 1 41 GLU OE2 O 2.433 -12.842 -0.321 1.00 . A A . 43 GLU OE2 1 1 9 6862 1 1 42 SER C C 1.219 -9.721 -7.449 1.00 . A A . 44 SER C 1 1 9 6863 1 1 42 SER CA C 0.165 -9.419 -6.381 1.00 . A A . 44 SER CA 1 1 9 6864 1 1 42 SER CB C -0.305 -7.971 -6.527 1.00 . A A . 44 SER CB 1 1 9 6865 1 1 42 SER H H 1.188 -8.861 -4.570 1.00 . A A . 44 SER H 1 1 9 6866 1 1 42 SER HA H -0.675 -10.086 -6.505 1.00 . A A . 44 SER HA 1 1 9 6867 1 1 42 SER HB2 H -0.720 -7.629 -5.592 1.00 . A A . 44 SER HB2 1 1 9 6868 1 1 42 SER HB3 H 0.536 -7.346 -6.796 1.00 . A A . 44 SER HB3 1 1 9 6869 1 1 42 SER HG H -2.103 -8.310 -7.189 1.00 . A A . 44 SER HG 1 1 9 6870 1 1 42 SER N N 0.758 -9.613 -5.028 1.00 . A A . 44 SER N 1 1 9 6871 1 1 42 SER O O 0.951 -9.659 -8.632 1.00 . A A . 44 SER O 1 1 9 6872 1 1 42 SER OG O -1.306 -7.901 -7.534 1.00 . A A . 44 SER OG 1 1 9 6873 1 1 43 ASN C C 3.999 -9.046 -8.651 1.00 . A A . 45 ASN C 1 1 9 6874 1 1 43 ASN CA C 3.484 -10.351 -8.037 1.00 . A A . 45 ASN CA 1 1 9 6875 1 1 43 ASN CB C 2.915 -11.247 -9.140 1.00 . A A . 45 ASN CB 1 1 9 6876 1 1 43 ASN CG C 4.062 -11.938 -9.881 1.00 . A A . 45 ASN CG 1 1 9 6877 1 1 43 ASN H H 2.615 -10.090 -6.085 1.00 . A A . 45 ASN H 1 1 9 6878 1 1 43 ASN HA H 4.299 -10.860 -7.544 1.00 . A A . 45 ASN HA 1 1 9 6879 1 1 43 ASN HB2 H 2.270 -11.993 -8.700 1.00 . A A . 45 ASN HB2 1 1 9 6880 1 1 43 ASN HB3 H 2.351 -10.647 -9.837 1.00 . A A . 45 ASN HB3 1 1 9 6881 1 1 43 ASN HD21 H 4.980 -12.516 -8.218 1.00 . A A . 45 ASN HD21 1 1 9 6882 1 1 43 ASN HD22 H 5.747 -12.966 -9.662 1.00 . A A . 45 ASN HD22 1 1 9 6883 1 1 43 ASN N N 2.416 -10.047 -7.042 1.00 . A A . 45 ASN N 1 1 9 6884 1 1 43 ASN ND2 N 5.007 -12.522 -9.197 1.00 . A A . 45 ASN ND2 1 1 9 6885 1 1 43 ASN O O 4.811 -9.054 -9.555 1.00 . A A . 45 ASN O 1 1 9 6886 1 1 43 ASN OD1 O 4.097 -11.947 -11.094 1.00 . A A . 45 ASN OD1 1 1 9 6887 1 1 44 GLY C C 2.972 -6.092 -9.722 1.00 . A A . 46 GLY C 1 1 9 6888 1 1 44 GLY CA C 4.001 -6.623 -8.723 1.00 . A A . 46 GLY CA 1 1 9 6889 1 1 44 GLY H H 2.883 -7.940 -7.435 1.00 . A A . 46 GLY H 1 1 9 6890 1 1 44 GLY HA2 H 4.122 -5.911 -7.918 1.00 . A A . 46 GLY HA2 1 1 9 6891 1 1 44 GLY HA3 H 4.947 -6.762 -9.225 1.00 . A A . 46 GLY HA3 1 1 9 6892 1 1 44 GLY N N 3.536 -7.925 -8.167 1.00 . A A . 46 GLY N 1 1 9 6893 1 1 44 GLY O O 3.268 -5.247 -10.543 1.00 . A A . 46 GLY O 1 1 9 6894 1 1 45 THR C C -0.207 -5.116 -9.902 1.00 . A A . 47 THR C 1 1 9 6895 1 1 45 THR CA C 0.717 -6.108 -10.613 1.00 . A A . 47 THR CA 1 1 9 6896 1 1 45 THR CB C -0.105 -7.301 -11.109 1.00 . A A . 47 THR CB 1 1 9 6897 1 1 45 THR CG2 C 0.837 -8.408 -11.589 1.00 . A A . 47 THR CG2 1 1 9 6898 1 1 45 THR H H 1.546 -7.267 -8.995 1.00 . A A . 47 THR H 1 1 9 6899 1 1 45 THR HA H 1.189 -5.622 -11.453 1.00 . A A . 47 THR HA 1 1 9 6900 1 1 45 THR HB H -0.731 -6.988 -11.930 1.00 . A A . 47 THR HB 1 1 9 6901 1 1 45 THR HG1 H -0.504 -8.577 -9.692 1.00 . A A . 47 THR HG1 1 1 9 6902 1 1 45 THR HG21 H 1.176 -8.985 -10.741 1.00 . A A . 47 THR HG21 1 1 9 6903 1 1 45 THR HG22 H 1.688 -7.967 -12.087 1.00 . A A . 47 THR HG22 1 1 9 6904 1 1 45 THR HG23 H 0.313 -9.053 -12.278 1.00 . A A . 47 THR HG23 1 1 9 6905 1 1 45 THR N N 1.764 -6.585 -9.664 1.00 . A A . 47 THR N 1 1 9 6906 1 1 45 THR O O -1.188 -4.665 -10.458 1.00 . A A . 47 THR O 1 1 9 6907 1 1 45 THR OG1 O -0.919 -7.789 -10.050 1.00 . A A . 47 THR OG1 1 1 9 6908 1 1 46 LEU C C -0.042 -2.463 -7.837 1.00 . A A . 48 LEU C 1 1 9 6909 1 1 46 LEU CA C -0.763 -3.807 -7.945 1.00 . A A . 48 LEU CA 1 1 9 6910 1 1 46 LEU CB C -1.052 -4.349 -6.543 1.00 . A A . 48 LEU CB 1 1 9 6911 1 1 46 LEU CD1 C -2.966 -4.361 -4.940 1.00 . A A . 48 LEU CD1 1 1 9 6912 1 1 46 LEU CD2 C -1.462 -2.372 -5.073 1.00 . A A . 48 LEU CD2 1 1 9 6913 1 1 46 LEU CG C -2.128 -3.491 -5.876 1.00 . A A . 48 LEU CG 1 1 9 6914 1 1 46 LEU H H 0.895 -5.145 -8.252 1.00 . A A . 48 LEU H 1 1 9 6915 1 1 46 LEU HA H -1.693 -3.674 -8.478 1.00 . A A . 48 LEU HA 1 1 9 6916 1 1 46 LEU HB2 H -1.398 -5.369 -6.618 1.00 . A A . 48 LEU HB2 1 1 9 6917 1 1 46 LEU HB3 H -0.150 -4.316 -5.952 1.00 . A A . 48 LEU HB3 1 1 9 6918 1 1 46 LEU HD11 H -2.351 -5.154 -4.537 1.00 . A A . 48 LEU HD11 1 1 9 6919 1 1 46 LEU HD12 H -3.791 -4.789 -5.487 1.00 . A A . 48 LEU HD12 1 1 9 6920 1 1 46 LEU HD13 H -3.346 -3.755 -4.129 1.00 . A A . 48 LEU HD13 1 1 9 6921 1 1 46 LEU HD21 H -2.010 -1.453 -5.212 1.00 . A A . 48 LEU HD21 1 1 9 6922 1 1 46 LEU HD22 H -0.445 -2.241 -5.415 1.00 . A A . 48 LEU HD22 1 1 9 6923 1 1 46 LEU HD23 H -1.459 -2.635 -4.026 1.00 . A A . 48 LEU HD23 1 1 9 6924 1 1 46 LEU HG H -2.766 -3.061 -6.635 1.00 . A A . 48 LEU HG 1 1 9 6925 1 1 46 LEU N N 0.099 -4.771 -8.682 1.00 . A A . 48 LEU N 1 1 9 6926 1 1 46 LEU O O 1.122 -2.399 -7.497 1.00 . A A . 48 LEU O 1 1 9 6927 1 1 47 THR C C -0.887 0.869 -7.148 1.00 . A A . 49 THR C 1 1 9 6928 1 1 47 THR CA C -0.071 -0.052 -8.053 1.00 . A A . 49 THR CA 1 1 9 6929 1 1 47 THR CB C 0.011 0.564 -9.453 1.00 . A A . 49 THR CB 1 1 9 6930 1 1 47 THR CG2 C 0.139 -0.546 -10.500 1.00 . A A . 49 THR CG2 1 1 9 6931 1 1 47 THR H H -1.659 -1.463 -8.410 1.00 . A A . 49 THR H 1 1 9 6932 1 1 47 THR HA H 0.924 -0.155 -7.650 1.00 . A A . 49 THR HA 1 1 9 6933 1 1 47 THR HB H 0.875 1.208 -9.513 1.00 . A A . 49 THR HB 1 1 9 6934 1 1 47 THR HG1 H -1.030 1.816 -10.515 1.00 . A A . 49 THR HG1 1 1 9 6935 1 1 47 THR HG21 H 0.346 -0.107 -11.466 1.00 . A A . 49 THR HG21 1 1 9 6936 1 1 47 THR HG22 H -0.785 -1.103 -10.549 1.00 . A A . 49 THR HG22 1 1 9 6937 1 1 47 THR HG23 H 0.946 -1.209 -10.226 1.00 . A A . 49 THR HG23 1 1 9 6938 1 1 47 THR N N -0.723 -1.389 -8.131 1.00 . A A . 49 THR N 1 1 9 6939 1 1 47 THR O O -1.606 0.429 -6.273 1.00 . A A . 49 THR O 1 1 9 6940 1 1 47 THR OG1 O -1.163 1.321 -9.703 1.00 . A A . 49 THR OG1 1 1 9 6941 1 1 48 LEU C C -2.384 4.008 -7.445 1.00 . A A . 50 LEU C 1 1 9 6942 1 1 48 LEU CA C -1.535 3.126 -6.531 1.00 . A A . 50 LEU CA 1 1 9 6943 1 1 48 LEU CB C -0.562 4.010 -5.750 1.00 . A A . 50 LEU CB 1 1 9 6944 1 1 48 LEU CD1 C -1.441 4.447 -3.451 1.00 . A A . 50 LEU CD1 1 1 9 6945 1 1 48 LEU CD2 C -0.651 6.345 -4.869 1.00 . A A . 50 LEU CD2 1 1 9 6946 1 1 48 LEU CG C -1.355 4.987 -4.880 1.00 . A A . 50 LEU CG 1 1 9 6947 1 1 48 LEU H H -0.189 2.468 -8.074 1.00 . A A . 50 LEU H 1 1 9 6948 1 1 48 LEU HA H -2.173 2.598 -5.839 1.00 . A A . 50 LEU HA 1 1 9 6949 1 1 48 LEU HB2 H 0.061 3.393 -5.120 1.00 . A A . 50 LEU HB2 1 1 9 6950 1 1 48 LEU HB3 H 0.055 4.566 -6.438 1.00 . A A . 50 LEU HB3 1 1 9 6951 1 1 48 LEU HD11 H -2.033 3.544 -3.443 1.00 . A A . 50 LEU HD11 1 1 9 6952 1 1 48 LEU HD12 H -1.904 5.186 -2.815 1.00 . A A . 50 LEU HD12 1 1 9 6953 1 1 48 LEU HD13 H -0.448 4.231 -3.088 1.00 . A A . 50 LEU HD13 1 1 9 6954 1 1 48 LEU HD21 H -0.223 6.515 -3.894 1.00 . A A . 50 LEU HD21 1 1 9 6955 1 1 48 LEU HD22 H -1.364 7.123 -5.091 1.00 . A A . 50 LEU HD22 1 1 9 6956 1 1 48 LEU HD23 H 0.134 6.350 -5.612 1.00 . A A . 50 LEU HD23 1 1 9 6957 1 1 48 LEU HG H -2.351 5.101 -5.284 1.00 . A A . 50 LEU HG 1 1 9 6958 1 1 48 LEU N N -0.776 2.149 -7.361 1.00 . A A . 50 LEU N 1 1 9 6959 1 1 48 LEU O O -1.961 4.403 -8.513 1.00 . A A . 50 LEU O 1 1 9 6960 1 1 49 SER C C -4.634 6.540 -7.159 1.00 . A A . 51 SER C 1 1 9 6961 1 1 49 SER CA C -4.445 5.199 -7.867 1.00 . A A . 51 SER CA 1 1 9 6962 1 1 49 SER CB C -5.804 4.532 -8.077 1.00 . A A . 51 SER CB 1 1 9 6963 1 1 49 SER H H -3.891 4.013 -6.161 1.00 . A A . 51 SER H 1 1 9 6964 1 1 49 SER HA H -3.970 5.363 -8.824 1.00 . A A . 51 SER HA 1 1 9 6965 1 1 49 SER HB2 H -6.574 5.284 -8.109 1.00 . A A . 51 SER HB2 1 1 9 6966 1 1 49 SER HB3 H -5.794 3.989 -9.014 1.00 . A A . 51 SER HB3 1 1 9 6967 1 1 49 SER HG H -6.075 2.748 -7.352 1.00 . A A . 51 SER HG 1 1 9 6968 1 1 49 SER N N -3.575 4.332 -7.029 1.00 . A A . 51 SER N 1 1 9 6969 1 1 49 SER O O -4.817 7.562 -7.789 1.00 . A A . 51 SER O 1 1 9 6970 1 1 49 SER OG O -6.066 3.642 -7.003 1.00 . A A . 51 SER OG 1 1 9 6971 1 1 50 HIS C C -4.667 7.589 -3.615 1.00 . A A . 52 HIS C 1 1 9 6972 1 1 50 HIS CA C -4.742 7.832 -5.122 1.00 . A A . 52 HIS CA 1 1 9 6973 1 1 50 HIS CB C -6.095 8.457 -5.472 1.00 . A A . 52 HIS CB 1 1 9 6974 1 1 50 HIS CD2 C -7.789 6.463 -5.681 1.00 . A A . 52 HIS CD2 1 1 9 6975 1 1 50 HIS CE1 C -8.771 6.680 -3.761 1.00 . A A . 52 HIS CE1 1 1 9 6976 1 1 50 HIS CG C -7.200 7.531 -5.051 1.00 . A A . 52 HIS CG 1 1 9 6977 1 1 50 HIS H H -4.418 5.717 -5.357 1.00 . A A . 52 HIS H 1 1 9 6978 1 1 50 HIS HA H -3.951 8.507 -5.412 1.00 . A A . 52 HIS HA 1 1 9 6979 1 1 50 HIS HB2 H -6.200 9.401 -4.958 1.00 . A A . 52 HIS HB2 1 1 9 6980 1 1 50 HIS HB3 H -6.150 8.621 -6.538 1.00 . A A . 52 HIS HB3 1 1 9 6981 1 1 50 HIS HD1 H -7.655 8.323 -3.139 1.00 . A A . 52 HIS HD1 1 1 9 6982 1 1 50 HIS HD2 H -7.522 6.096 -6.661 1.00 . A A . 52 HIS HD2 1 1 9 6983 1 1 50 HIS HE1 H -9.426 6.526 -2.917 1.00 . A A . 52 HIS HE1 1 1 9 6984 1 1 50 HIS N N -4.577 6.551 -5.852 1.00 . A A . 52 HIS N 1 1 9 6985 1 1 50 HIS ND1 N -7.842 7.652 -3.828 1.00 . A A . 52 HIS ND1 1 1 9 6986 1 1 50 HIS NE2 N -8.779 5.927 -4.865 1.00 . A A . 52 HIS NE2 1 1 9 6987 1 1 50 HIS O O -5.568 7.037 -3.010 1.00 . A A . 52 HIS O 1 1 9 6988 1 1 51 PHE C C -4.752 8.191 -0.837 1.00 . A A . 53 PHE C 1 1 9 6989 1 1 51 PHE CA C -3.441 7.823 -1.538 1.00 . A A . 53 PHE CA 1 1 9 6990 1 1 51 PHE CB C -2.333 8.750 -1.034 1.00 . A A . 53 PHE CB 1 1 9 6991 1 1 51 PHE CD1 C -0.658 8.995 -2.907 1.00 . A A . 53 PHE CD1 1 1 9 6992 1 1 51 PHE CD2 C -0.146 7.493 -1.073 1.00 . A A . 53 PHE CD2 1 1 9 6993 1 1 51 PHE CE1 C 0.568 8.680 -3.506 1.00 . A A . 53 PHE CE1 1 1 9 6994 1 1 51 PHE CE2 C 1.078 7.178 -1.673 1.00 . A A . 53 PHE CE2 1 1 9 6995 1 1 51 PHE CG C -1.016 8.400 -1.689 1.00 . A A . 53 PHE CG 1 1 9 6996 1 1 51 PHE CZ C 1.437 7.771 -2.889 1.00 . A A . 53 PHE CZ 1 1 9 6997 1 1 51 PHE H H -2.889 8.446 -3.515 1.00 . A A . 53 PHE H 1 1 9 6998 1 1 51 PHE HA H -3.184 6.798 -1.322 1.00 . A A . 53 PHE HA 1 1 9 6999 1 1 51 PHE HB2 H -2.588 9.773 -1.266 1.00 . A A . 53 PHE HB2 1 1 9 7000 1 1 51 PHE HB3 H -2.239 8.640 0.032 1.00 . A A . 53 PHE HB3 1 1 9 7001 1 1 51 PHE HD1 H -1.329 9.695 -3.384 1.00 . A A . 53 PHE HD1 1 1 9 7002 1 1 51 PHE HD2 H -0.422 7.036 -0.135 1.00 . A A . 53 PHE HD2 1 1 9 7003 1 1 51 PHE HE1 H 0.845 9.138 -4.445 1.00 . A A . 53 PHE HE1 1 1 9 7004 1 1 51 PHE HE2 H 1.748 6.475 -1.198 1.00 . A A . 53 PHE HE2 1 1 9 7005 1 1 51 PHE HZ H 2.383 7.529 -3.351 1.00 . A A . 53 PHE HZ 1 1 9 7006 1 1 51 PHE N N -3.595 8.006 -3.005 1.00 . A A . 53 PHE N 1 1 9 7007 1 1 51 PHE O O -5.041 9.349 -0.615 1.00 . A A . 53 PHE O 1 1 9 7008 1 1 52 GLY C C -7.840 6.408 -0.064 1.00 . A A . 54 GLY C 1 1 9 7009 1 1 52 GLY CA C -6.831 7.524 0.211 1.00 . A A . 54 GLY CA 1 1 9 7010 1 1 52 GLY H H -5.297 6.291 -0.666 1.00 . A A . 54 GLY H 1 1 9 7011 1 1 52 GLY HA2 H -6.656 7.599 1.274 1.00 . A A . 54 GLY HA2 1 1 9 7012 1 1 52 GLY HA3 H -7.225 8.460 -0.157 1.00 . A A . 54 GLY HA3 1 1 9 7013 1 1 52 GLY N N -5.545 7.219 -0.482 1.00 . A A . 54 GLY N 1 1 9 7014 1 1 52 GLY O O -7.814 5.780 -1.101 1.00 . A A . 54 GLY O 1 1 9 7015 1 1 53 LYS C C -10.664 5.502 -0.518 1.00 . A A . 55 LYS C 1 1 9 7016 1 1 53 LYS CA C -9.741 5.084 0.630 1.00 . A A . 55 LYS CA 1 1 9 7017 1 1 53 LYS CB C -10.560 4.884 1.910 1.00 . A A . 55 LYS CB 1 1 9 7018 1 1 53 LYS CD C -12.963 4.227 2.120 1.00 . A A . 55 LYS CD 1 1 9 7019 1 1 53 LYS CE C -12.918 4.769 3.550 1.00 . A A . 55 LYS CE 1 1 9 7020 1 1 53 LYS CG C -11.570 3.748 1.710 1.00 . A A . 55 LYS CG 1 1 9 7021 1 1 53 LYS H H -8.742 6.678 1.684 1.00 . A A . 55 LYS H 1 1 9 7022 1 1 53 LYS HA H -9.237 4.161 0.371 1.00 . A A . 55 LYS HA 1 1 9 7023 1 1 53 LYS HB2 H -9.897 4.638 2.726 1.00 . A A . 55 LYS HB2 1 1 9 7024 1 1 53 LYS HB3 H -11.090 5.796 2.141 1.00 . A A . 55 LYS HB3 1 1 9 7025 1 1 53 LYS HD2 H -13.288 5.009 1.448 1.00 . A A . 55 LYS HD2 1 1 9 7026 1 1 53 LYS HD3 H -13.657 3.401 2.073 1.00 . A A . 55 LYS HD3 1 1 9 7027 1 1 53 LYS HE2 H -12.247 5.612 3.595 1.00 . A A . 55 LYS HE2 1 1 9 7028 1 1 53 LYS HE3 H -13.907 5.081 3.849 1.00 . A A . 55 LYS HE3 1 1 9 7029 1 1 53 LYS HG2 H -11.582 3.453 0.674 1.00 . A A . 55 LYS HG2 1 1 9 7030 1 1 53 LYS HG3 H -11.289 2.905 2.323 1.00 . A A . 55 LYS HG3 1 1 9 7031 1 1 53 LYS HZ1 H -11.520 3.340 4.135 1.00 . A A . 55 LYS HZ1 1 1 9 7032 1 1 53 LYS HZ2 H -13.127 2.923 4.492 1.00 . A A . 55 LYS HZ2 1 1 9 7033 1 1 53 LYS HZ3 H -12.322 4.090 5.427 1.00 . A A . 55 LYS HZ3 1 1 9 7034 1 1 53 LYS N N -8.733 6.158 0.853 1.00 . A A . 55 LYS N 1 1 9 7035 1 1 53 LYS NZ N -12.436 3.700 4.471 1.00 . A A . 55 LYS NZ 1 1 9 7036 1 1 53 LYS O O -10.897 6.673 -0.741 1.00 . A A . 55 LYS O 1 1 9 7037 1 1 54 CYS C C -13.507 5.106 -1.869 1.00 . A A . 56 CYS C 1 1 9 7038 1 1 54 CYS CA C -12.080 4.909 -2.387 1.00 . A A . 56 CYS CA 1 1 9 7039 1 1 54 CYS CB C -12.061 3.780 -3.419 1.00 . A A . 56 CYS CB 1 1 9 7040 1 1 54 CYS H H -10.979 3.619 -1.062 1.00 . A A . 56 CYS H 1 1 9 7041 1 1 54 CYS HA H -11.733 5.823 -2.847 1.00 . A A . 56 CYS HA 1 1 9 7042 1 1 54 CYS HB2 H -12.245 2.838 -2.923 1.00 . A A . 56 CYS HB2 1 1 9 7043 1 1 54 CYS HB3 H -12.830 3.956 -4.157 1.00 . A A . 56 CYS HB3 1 1 9 7044 1 1 54 CYS N N -11.184 4.558 -1.251 1.00 . A A . 56 CYS N 1 1 9 7045 1 1 54 CYS O O -14.321 5.625 -2.615 1.00 . A A . 56 CYS O 1 1 9 7046 1 1 54 CYS OXT O -13.760 4.734 -0.736 1.00 . A A . 56 CYS OXT 1 1 9 7047 1 1 54 CYS SG S -10.444 3.729 -4.232 1.00 . A A . 56 CYS SG 1 1 10 7048 1 1 1 ALA C C 5.296 0.251 -8.072 1.00 . A A . 3 ALA C 1 1 10 7049 1 1 1 ALA CA C 6.390 -0.812 -7.972 1.00 . A A . 3 ALA CA 1 1 10 7050 1 1 1 ALA CB C 6.461 -1.336 -6.536 1.00 . A A . 3 ALA CB 1 1 10 7051 1 1 1 ALA H1 H 8.408 -0.442 -7.622 1.00 . A A . 3 ALA H1 1 1 10 7052 1 1 1 ALA H2 H 7.601 0.820 -8.423 1.00 . A A . 3 ALA H2 1 1 10 7053 1 1 1 ALA H3 H 8.008 -0.600 -9.264 1.00 . A A . 3 ALA H3 1 1 10 7054 1 1 1 ALA HA H 6.162 -1.628 -8.642 1.00 . A A . 3 ALA HA 1 1 10 7055 1 1 1 ALA HB1 H 5.463 -1.510 -6.165 1.00 . A A . 3 ALA HB1 1 1 10 7056 1 1 1 ALA HB2 H 6.957 -0.609 -5.912 1.00 . A A . 3 ALA HB2 1 1 10 7057 1 1 1 ALA HB3 H 7.018 -2.263 -6.519 1.00 . A A . 3 ALA HB3 1 1 10 7058 1 1 1 ALA N N 7.701 -0.214 -8.349 1.00 . A A . 3 ALA N 1 1 10 7059 1 1 1 ALA O O 4.563 0.310 -9.041 1.00 . A A . 3 ALA O 1 1 10 7060 1 1 2 VAL C C 4.702 3.474 -6.635 1.00 . A A . 4 VAL C 1 1 10 7061 1 1 2 VAL CA C 4.123 2.149 -7.129 1.00 . A A . 4 VAL CA 1 1 10 7062 1 1 2 VAL CB C 2.935 1.762 -6.237 1.00 . A A . 4 VAL CB 1 1 10 7063 1 1 2 VAL CG1 C 1.729 1.436 -7.117 1.00 . A A . 4 VAL CG1 1 1 10 7064 1 1 2 VAL CG2 C 3.283 0.540 -5.380 1.00 . A A . 4 VAL CG2 1 1 10 7065 1 1 2 VAL H H 5.773 1.030 -6.309 1.00 . A A . 4 VAL H 1 1 10 7066 1 1 2 VAL HA H 3.783 2.267 -8.146 1.00 . A A . 4 VAL HA 1 1 10 7067 1 1 2 VAL HB H 2.691 2.594 -5.593 1.00 . A A . 4 VAL HB 1 1 10 7068 1 1 2 VAL HG11 H 1.054 2.279 -7.129 1.00 . A A . 4 VAL HG11 1 1 10 7069 1 1 2 VAL HG12 H 1.218 0.570 -6.721 1.00 . A A . 4 VAL HG12 1 1 10 7070 1 1 2 VAL HG13 H 2.064 1.228 -8.122 1.00 . A A . 4 VAL HG13 1 1 10 7071 1 1 2 VAL HG21 H 2.455 0.312 -4.725 1.00 . A A . 4 VAL HG21 1 1 10 7072 1 1 2 VAL HG22 H 4.160 0.753 -4.788 1.00 . A A . 4 VAL HG22 1 1 10 7073 1 1 2 VAL HG23 H 3.477 -0.308 -6.021 1.00 . A A . 4 VAL HG23 1 1 10 7074 1 1 2 VAL N N 5.176 1.092 -7.082 1.00 . A A . 4 VAL N 1 1 10 7075 1 1 2 VAL O O 5.901 3.641 -6.526 1.00 . A A . 4 VAL O 1 1 10 7076 1 1 3 SER C C 4.444 5.692 -4.314 1.00 . A A . 5 SER C 1 1 10 7077 1 1 3 SER CA C 4.337 5.733 -5.841 1.00 . A A . 5 SER CA 1 1 10 7078 1 1 3 SER CB C 3.345 6.820 -6.258 1.00 . A A . 5 SER CB 1 1 10 7079 1 1 3 SER H H 2.890 4.254 -6.428 1.00 . A A . 5 SER H 1 1 10 7080 1 1 3 SER HA H 5.307 5.945 -6.266 1.00 . A A . 5 SER HA 1 1 10 7081 1 1 3 SER HB2 H 2.931 6.578 -7.224 1.00 . A A . 5 SER HB2 1 1 10 7082 1 1 3 SER HB3 H 2.545 6.873 -5.530 1.00 . A A . 5 SER HB3 1 1 10 7083 1 1 3 SER HG H 4.234 8.233 -7.258 1.00 . A A . 5 SER HG 1 1 10 7084 1 1 3 SER N N 3.852 4.416 -6.333 1.00 . A A . 5 SER N 1 1 10 7085 1 1 3 SER O O 4.255 6.685 -3.639 1.00 . A A . 5 SER O 1 1 10 7086 1 1 3 SER OG O 4.019 8.069 -6.337 1.00 . A A . 5 SER OG 1 1 10 7087 1 1 4 VAL C C 6.323 4.176 -1.910 1.00 . A A . 6 VAL C 1 1 10 7088 1 1 4 VAL CA C 4.860 4.428 -2.285 1.00 . A A . 6 VAL CA 1 1 10 7089 1 1 4 VAL CB C 3.998 3.256 -1.810 1.00 . A A . 6 VAL CB 1 1 10 7090 1 1 4 VAL CG1 C 4.250 2.045 -2.707 1.00 . A A . 6 VAL CG1 1 1 10 7091 1 1 4 VAL CG2 C 4.356 2.899 -0.364 1.00 . A A . 6 VAL CG2 1 1 10 7092 1 1 4 VAL H H 4.890 3.759 -4.330 1.00 . A A . 6 VAL H 1 1 10 7093 1 1 4 VAL HA H 4.519 5.340 -1.821 1.00 . A A . 6 VAL HA 1 1 10 7094 1 1 4 VAL HB H 2.954 3.533 -1.866 1.00 . A A . 6 VAL HB 1 1 10 7095 1 1 4 VAL HG11 H 5.310 1.949 -2.892 1.00 . A A . 6 VAL HG11 1 1 10 7096 1 1 4 VAL HG12 H 3.732 2.177 -3.646 1.00 . A A . 6 VAL HG12 1 1 10 7097 1 1 4 VAL HG13 H 3.888 1.152 -2.219 1.00 . A A . 6 VAL HG13 1 1 10 7098 1 1 4 VAL HG21 H 4.253 3.774 0.261 1.00 . A A . 6 VAL HG21 1 1 10 7099 1 1 4 VAL HG22 H 5.375 2.545 -0.323 1.00 . A A . 6 VAL HG22 1 1 10 7100 1 1 4 VAL HG23 H 3.692 2.125 -0.011 1.00 . A A . 6 VAL HG23 1 1 10 7101 1 1 4 VAL N N 4.743 4.546 -3.765 1.00 . A A . 6 VAL N 1 1 10 7102 1 1 4 VAL O O 7.146 3.875 -2.752 1.00 . A A . 6 VAL O 1 1 10 7103 1 1 5 ASP C C 8.250 2.615 0.187 1.00 . A A . 7 ASP C 1 1 10 7104 1 1 5 ASP CA C 8.067 4.071 -0.234 1.00 . A A . 7 ASP CA 1 1 10 7105 1 1 5 ASP CB C 8.404 4.980 0.949 1.00 . A A . 7 ASP CB 1 1 10 7106 1 1 5 ASP CG C 9.807 5.561 0.766 1.00 . A A . 7 ASP CG 1 1 10 7107 1 1 5 ASP H H 5.982 4.546 0.012 1.00 . A A . 7 ASP H 1 1 10 7108 1 1 5 ASP HA H 8.730 4.294 -1.057 1.00 . A A . 7 ASP HA 1 1 10 7109 1 1 5 ASP HB2 H 7.686 5.781 0.999 1.00 . A A . 7 ASP HB2 1 1 10 7110 1 1 5 ASP HB3 H 8.368 4.407 1.862 1.00 . A A . 7 ASP HB3 1 1 10 7111 1 1 5 ASP N N 6.657 4.301 -0.654 1.00 . A A . 7 ASP N 1 1 10 7112 1 1 5 ASP O O 8.362 2.309 1.357 1.00 . A A . 7 ASP O 1 1 10 7113 1 1 5 ASP OD1 O 10.334 5.453 -0.328 1.00 . A A . 7 ASP OD1 1 1 10 7114 1 1 5 ASP OD2 O 10.331 6.104 1.726 1.00 . A A . 7 ASP OD2 1 1 10 7115 1 1 6 CYS C C 9.982 -0.006 -0.305 1.00 . A A . 8 CYS C 1 1 10 7116 1 1 6 CYS CA C 8.483 0.281 -0.399 1.00 . A A . 8 CYS CA 1 1 10 7117 1 1 6 CYS CB C 7.856 -0.607 -1.477 1.00 . A A . 8 CYS CB 1 1 10 7118 1 1 6 CYS H H 8.208 1.980 -1.693 1.00 . A A . 8 CYS H 1 1 10 7119 1 1 6 CYS HA H 8.014 0.080 0.554 1.00 . A A . 8 CYS HA 1 1 10 7120 1 1 6 CYS HB2 H 8.393 -0.479 -2.405 1.00 . A A . 8 CYS HB2 1 1 10 7121 1 1 6 CYS HB3 H 7.912 -1.640 -1.167 1.00 . A A . 8 CYS HB3 1 1 10 7122 1 1 6 CYS N N 8.291 1.713 -0.754 1.00 . A A . 8 CYS N 1 1 10 7123 1 1 6 CYS O O 10.505 -0.843 -1.014 1.00 . A A . 8 CYS O 1 1 10 7124 1 1 6 CYS SG S 6.123 -0.142 -1.717 1.00 . A A . 8 CYS SG 1 1 10 7125 1 1 7 SER C C 12.512 -0.975 0.503 1.00 . A A . 9 SER C 1 1 10 7126 1 1 7 SER CA C 12.147 0.499 0.708 1.00 . A A . 9 SER CA 1 1 10 7127 1 1 7 SER CB C 12.577 0.938 2.110 1.00 . A A . 9 SER CB 1 1 10 7128 1 1 7 SER H H 10.217 1.379 1.101 1.00 . A A . 9 SER H 1 1 10 7129 1 1 7 SER HA H 12.665 1.099 -0.025 1.00 . A A . 9 SER HA 1 1 10 7130 1 1 7 SER HB2 H 12.152 0.273 2.843 1.00 . A A . 9 SER HB2 1 1 10 7131 1 1 7 SER HB3 H 13.656 0.906 2.181 1.00 . A A . 9 SER HB3 1 1 10 7132 1 1 7 SER HG H 12.367 2.803 1.599 1.00 . A A . 9 SER HG 1 1 10 7133 1 1 7 SER N N 10.672 0.700 0.556 1.00 . A A . 9 SER N 1 1 10 7134 1 1 7 SER O O 13.034 -1.354 -0.526 1.00 . A A . 9 SER O 1 1 10 7135 1 1 7 SER OG O 12.114 2.260 2.349 1.00 . A A . 9 SER OG 1 1 10 7136 1 1 8 GLU C C 11.400 -4.116 1.751 1.00 . A A . 10 GLU C 1 1 10 7137 1 1 8 GLU CA C 12.589 -3.251 1.318 1.00 . A A . 10 GLU CA 1 1 10 7138 1 1 8 GLU CB C 13.805 -3.583 2.185 1.00 . A A . 10 GLU CB 1 1 10 7139 1 1 8 GLU CD C 13.952 -3.980 4.648 1.00 . A A . 10 GLU CD 1 1 10 7140 1 1 8 GLU CG C 13.640 -2.945 3.566 1.00 . A A . 10 GLU CG 1 1 10 7141 1 1 8 GLU H H 11.828 -1.489 2.296 1.00 . A A . 10 GLU H 1 1 10 7142 1 1 8 GLU HA H 12.820 -3.456 0.283 1.00 . A A . 10 GLU HA 1 1 10 7143 1 1 8 GLU HB2 H 13.888 -4.655 2.292 1.00 . A A . 10 GLU HB2 1 1 10 7144 1 1 8 GLU HB3 H 14.697 -3.196 1.717 1.00 . A A . 10 GLU HB3 1 1 10 7145 1 1 8 GLU HG2 H 14.318 -2.109 3.659 1.00 . A A . 10 GLU HG2 1 1 10 7146 1 1 8 GLU HG3 H 12.622 -2.601 3.684 1.00 . A A . 10 GLU HG3 1 1 10 7147 1 1 8 GLU N N 12.247 -1.808 1.471 1.00 . A A . 10 GLU N 1 1 10 7148 1 1 8 GLU O O 11.380 -4.663 2.834 1.00 . A A . 10 GLU O 1 1 10 7149 1 1 8 GLU OE1 O 13.497 -5.104 4.515 1.00 . A A . 10 GLU OE1 1 1 10 7150 1 1 8 GLU OE2 O 14.643 -3.631 5.592 1.00 . A A . 10 GLU OE2 1 1 10 7151 1 1 9 TYR C C 9.405 -6.482 0.660 1.00 . A A . 11 TYR C 1 1 10 7152 1 1 9 TYR CA C 9.230 -5.084 1.262 1.00 . A A . 11 TYR CA 1 1 10 7153 1 1 9 TYR CB C 7.962 -4.431 0.708 1.00 . A A . 11 TYR CB 1 1 10 7154 1 1 9 TYR CD1 C 7.927 -2.327 2.092 1.00 . A A . 11 TYR CD1 1 1 10 7155 1 1 9 TYR CD2 C 6.195 -3.986 2.454 1.00 . A A . 11 TYR CD2 1 1 10 7156 1 1 9 TYR CE1 C 7.361 -1.519 3.086 1.00 . A A . 11 TYR CE1 1 1 10 7157 1 1 9 TYR CE2 C 5.629 -3.178 3.449 1.00 . A A . 11 TYR CE2 1 1 10 7158 1 1 9 TYR CG C 7.343 -3.560 1.775 1.00 . A A . 11 TYR CG 1 1 10 7159 1 1 9 TYR CZ C 6.213 -1.944 3.764 1.00 . A A . 11 TYR CZ 1 1 10 7160 1 1 9 TYR H H 10.454 -3.801 0.035 1.00 . A A . 11 TYR H 1 1 10 7161 1 1 9 TYR HA H 9.157 -5.164 2.336 1.00 . A A . 11 TYR HA 1 1 10 7162 1 1 9 TYR HB2 H 8.214 -3.825 -0.151 1.00 . A A . 11 TYR HB2 1 1 10 7163 1 1 9 TYR HB3 H 7.257 -5.195 0.413 1.00 . A A . 11 TYR HB3 1 1 10 7164 1 1 9 TYR HD1 H 8.812 -1.998 1.570 1.00 . A A . 11 TYR HD1 1 1 10 7165 1 1 9 TYR HD2 H 5.743 -4.936 2.210 1.00 . A A . 11 TYR HD2 1 1 10 7166 1 1 9 TYR HE1 H 7.811 -0.567 3.329 1.00 . A A . 11 TYR HE1 1 1 10 7167 1 1 9 TYR HE2 H 4.743 -3.506 3.972 1.00 . A A . 11 TYR HE2 1 1 10 7168 1 1 9 TYR HH H 6.356 -0.903 5.360 1.00 . A A . 11 TYR HH 1 1 10 7169 1 1 9 TYR N N 10.414 -4.249 0.907 1.00 . A A . 11 TYR N 1 1 10 7170 1 1 9 TYR O O 10.261 -6.688 -0.179 1.00 . A A . 11 TYR O 1 1 10 7171 1 1 9 TYR OH O 5.658 -1.146 4.745 1.00 . A A . 11 TYR OH 1 1 10 7172 1 1 10 PRO C C 8.172 -7.086 3.527 1.00 . A A . 12 PRO C 1 1 10 7173 1 1 10 PRO CA C 7.554 -7.148 2.126 1.00 . A A . 12 PRO CA 1 1 10 7174 1 1 10 PRO CB C 6.620 -8.355 1.995 1.00 . A A . 12 PRO CB 1 1 10 7175 1 1 10 PRO CD C 8.640 -8.802 0.635 1.00 . A A . 12 PRO CD 1 1 10 7176 1 1 10 PRO CG C 7.452 -9.484 1.343 1.00 . A A . 12 PRO CG 1 1 10 7177 1 1 10 PRO HA H 7.020 -6.242 1.906 1.00 . A A . 12 PRO HA 1 1 10 7178 1 1 10 PRO HB2 H 6.273 -8.662 2.973 1.00 . A A . 12 PRO HB2 1 1 10 7179 1 1 10 PRO HB3 H 5.783 -8.108 1.363 1.00 . A A . 12 PRO HB3 1 1 10 7180 1 1 10 PRO HD2 H 9.570 -9.271 0.927 1.00 . A A . 12 PRO HD2 1 1 10 7181 1 1 10 PRO HD3 H 8.517 -8.838 -0.435 1.00 . A A . 12 PRO HD3 1 1 10 7182 1 1 10 PRO HG2 H 7.810 -10.165 2.101 1.00 . A A . 12 PRO HG2 1 1 10 7183 1 1 10 PRO HG3 H 6.855 -10.015 0.617 1.00 . A A . 12 PRO HG3 1 1 10 7184 1 1 10 PRO N N 8.593 -7.405 1.108 1.00 . A A . 12 PRO N 1 1 10 7185 1 1 10 PRO O O 9.355 -7.296 3.705 1.00 . A A . 12 PRO O 1 1 10 7186 1 1 11 LYS C C 7.211 -7.769 6.782 1.00 . A A . 13 LYS C 1 1 10 7187 1 1 11 LYS CA C 7.905 -6.720 5.907 1.00 . A A . 13 LYS CA 1 1 10 7188 1 1 11 LYS CB C 7.636 -5.325 6.472 1.00 . A A . 13 LYS CB 1 1 10 7189 1 1 11 LYS CD C 8.274 -2.914 6.320 1.00 . A A . 13 LYS CD 1 1 10 7190 1 1 11 LYS CE C 9.527 -2.164 6.772 1.00 . A A . 13 LYS CE 1 1 10 7191 1 1 11 LYS CG C 8.652 -4.336 5.899 1.00 . A A . 13 LYS CG 1 1 10 7192 1 1 11 LYS H H 6.423 -6.633 4.348 1.00 . A A . 13 LYS H 1 1 10 7193 1 1 11 LYS HA H 8.969 -6.906 5.897 1.00 . A A . 13 LYS HA 1 1 10 7194 1 1 11 LYS HB2 H 6.637 -5.014 6.200 1.00 . A A . 13 LYS HB2 1 1 10 7195 1 1 11 LYS HB3 H 7.724 -5.346 7.547 1.00 . A A . 13 LYS HB3 1 1 10 7196 1 1 11 LYS HD2 H 7.826 -2.400 5.482 1.00 . A A . 13 LYS HD2 1 1 10 7197 1 1 11 LYS HD3 H 7.569 -2.957 7.135 1.00 . A A . 13 LYS HD3 1 1 10 7198 1 1 11 LYS HE2 H 9.344 -1.702 7.730 1.00 . A A . 13 LYS HE2 1 1 10 7199 1 1 11 LYS HE3 H 10.351 -2.858 6.859 1.00 . A A . 13 LYS HE3 1 1 10 7200 1 1 11 LYS HG2 H 9.637 -4.574 6.276 1.00 . A A . 13 LYS HG2 1 1 10 7201 1 1 11 LYS HG3 H 8.652 -4.402 4.821 1.00 . A A . 13 LYS HG3 1 1 10 7202 1 1 11 LYS HZ1 H 9.964 -1.551 4.830 1.00 . A A . 13 LYS HZ1 1 1 10 7203 1 1 11 LYS HZ2 H 10.760 -0.655 6.035 1.00 . A A . 13 LYS HZ2 1 1 10 7204 1 1 11 LYS HZ3 H 9.106 -0.406 5.739 1.00 . A A . 13 LYS HZ3 1 1 10 7205 1 1 11 LYS N N 7.373 -6.799 4.518 1.00 . A A . 13 LYS N 1 1 10 7206 1 1 11 LYS NZ N 9.864 -1.114 5.767 1.00 . A A . 13 LYS NZ 1 1 10 7207 1 1 11 LYS O O 6.167 -8.277 6.426 1.00 . A A . 13 LYS O 1 1 10 7208 1 1 12 PRO C C 6.141 -8.458 9.676 1.00 . A A . 14 PRO C 1 1 10 7209 1 1 12 PRO CA C 7.290 -9.053 8.859 1.00 . A A . 14 PRO CA 1 1 10 7210 1 1 12 PRO CB C 8.491 -9.366 9.755 1.00 . A A . 14 PRO CB 1 1 10 7211 1 1 12 PRO CD C 9.090 -7.438 8.324 1.00 . A A . 14 PRO CD 1 1 10 7212 1 1 12 PRO CG C 9.449 -8.157 9.637 1.00 . A A . 14 PRO CG 1 1 10 7213 1 1 12 PRO HA H 6.972 -9.945 8.345 1.00 . A A . 14 PRO HA 1 1 10 7214 1 1 12 PRO HB2 H 8.166 -9.489 10.779 1.00 . A A . 14 PRO HB2 1 1 10 7215 1 1 12 PRO HB3 H 8.989 -10.260 9.413 1.00 . A A . 14 PRO HB3 1 1 10 7216 1 1 12 PRO HD2 H 8.955 -6.380 8.498 1.00 . A A . 14 PRO HD2 1 1 10 7217 1 1 12 PRO HD3 H 9.852 -7.607 7.579 1.00 . A A . 14 PRO HD3 1 1 10 7218 1 1 12 PRO HG2 H 9.308 -7.493 10.479 1.00 . A A . 14 PRO HG2 1 1 10 7219 1 1 12 PRO HG3 H 10.472 -8.498 9.599 1.00 . A A . 14 PRO HG3 1 1 10 7220 1 1 12 PRO N N 7.819 -8.064 7.904 1.00 . A A . 14 PRO N 1 1 10 7221 1 1 12 PRO O O 5.402 -9.168 10.330 1.00 . A A . 14 PRO O 1 1 10 7222 1 1 13 ALA C C 4.518 -5.179 9.826 1.00 . A A . 15 ALA C 1 1 10 7223 1 1 13 ALA CA C 4.877 -6.537 10.433 1.00 . A A . 15 ALA CA 1 1 10 7224 1 1 13 ALA CB C 5.328 -6.343 11.884 1.00 . A A . 15 ALA CB 1 1 10 7225 1 1 13 ALA H H 6.587 -6.604 9.121 1.00 . A A . 15 ALA H 1 1 10 7226 1 1 13 ALA HA H 4.011 -7.181 10.410 1.00 . A A . 15 ALA HA 1 1 10 7227 1 1 13 ALA HB1 H 6.404 -6.419 11.939 1.00 . A A . 15 ALA HB1 1 1 10 7228 1 1 13 ALA HB2 H 4.880 -7.107 12.502 1.00 . A A . 15 ALA HB2 1 1 10 7229 1 1 13 ALA HB3 H 5.016 -5.370 12.231 1.00 . A A . 15 ALA HB3 1 1 10 7230 1 1 13 ALA N N 5.982 -7.162 9.652 1.00 . A A . 15 ALA N 1 1 10 7231 1 1 13 ALA O O 5.121 -4.736 8.869 1.00 . A A . 15 ALA O 1 1 10 7232 1 1 14 CYS C C 3.354 -2.111 10.908 1.00 . A A . 16 CYS C 1 1 10 7233 1 1 14 CYS CA C 3.145 -3.183 9.836 1.00 . A A . 16 CYS CA 1 1 10 7234 1 1 14 CYS CB C 1.672 -3.214 9.419 1.00 . A A . 16 CYS CB 1 1 10 7235 1 1 14 CYS H H 3.068 -4.887 11.154 1.00 . A A . 16 CYS H 1 1 10 7236 1 1 14 CYS HA H 3.757 -2.951 8.980 1.00 . A A . 16 CYS HA 1 1 10 7237 1 1 14 CYS HB2 H 1.079 -3.621 10.223 1.00 . A A . 16 CYS HB2 1 1 10 7238 1 1 14 CYS HB3 H 1.339 -2.209 9.201 1.00 . A A . 16 CYS HB3 1 1 10 7239 1 1 14 CYS N N 3.541 -4.513 10.380 1.00 . A A . 16 CYS N 1 1 10 7240 1 1 14 CYS O O 3.648 -2.408 12.050 1.00 . A A . 16 CYS O 1 1 10 7241 1 1 14 CYS SG S 1.480 -4.247 7.946 1.00 . A A . 16 CYS SG 1 1 10 7242 1 1 15 THR C C 2.057 0.747 12.015 1.00 . A A . 17 THR C 1 1 10 7243 1 1 15 THR CA C 3.414 0.227 11.534 1.00 . A A . 17 THR CA 1 1 10 7244 1 1 15 THR CB C 4.189 1.366 10.864 1.00 . A A . 17 THR CB 1 1 10 7245 1 1 15 THR CG2 C 5.573 0.864 10.452 1.00 . A A . 17 THR CG2 1 1 10 7246 1 1 15 THR H H 2.984 -0.655 9.616 1.00 . A A . 17 THR H 1 1 10 7247 1 1 15 THR HA H 3.978 -0.145 12.375 1.00 . A A . 17 THR HA 1 1 10 7248 1 1 15 THR HB H 4.300 2.182 11.560 1.00 . A A . 17 THR HB 1 1 10 7249 1 1 15 THR HG1 H 2.771 1.196 9.535 1.00 . A A . 17 THR HG1 1 1 10 7250 1 1 15 THR HG21 H 6.308 1.631 10.648 1.00 . A A . 17 THR HG21 1 1 10 7251 1 1 15 THR HG22 H 5.572 0.628 9.398 1.00 . A A . 17 THR HG22 1 1 10 7252 1 1 15 THR HG23 H 5.819 -0.023 11.018 1.00 . A A . 17 THR HG23 1 1 10 7253 1 1 15 THR N N 3.214 -0.869 10.544 1.00 . A A . 17 THR N 1 1 10 7254 1 1 15 THR O O 1.023 0.394 11.488 1.00 . A A . 17 THR O 1 1 10 7255 1 1 15 THR OG1 O 3.483 1.816 9.715 1.00 . A A . 17 THR OG1 1 1 10 7256 1 1 16 MET C C 0.425 3.412 12.774 1.00 . A A . 18 MET C 1 1 10 7257 1 1 16 MET CA C 0.774 2.132 13.534 1.00 . A A . 18 MET CA 1 1 10 7258 1 1 16 MET CB C 0.918 2.444 15.025 1.00 . A A . 18 MET CB 1 1 10 7259 1 1 16 MET CE C -2.316 0.724 16.610 1.00 . A A . 18 MET CE 1 1 10 7260 1 1 16 MET CG C 0.207 1.365 15.843 1.00 . A A . 18 MET CG 1 1 10 7261 1 1 16 MET H H 2.906 1.856 13.426 1.00 . A A . 18 MET H 1 1 10 7262 1 1 16 MET HA H -0.012 1.403 13.394 1.00 . A A . 18 MET HA 1 1 10 7263 1 1 16 MET HB2 H 1.966 2.465 15.288 1.00 . A A . 18 MET HB2 1 1 10 7264 1 1 16 MET HB3 H 0.474 3.405 15.237 1.00 . A A . 18 MET HB3 1 1 10 7265 1 1 16 MET HE1 H -3.182 0.907 17.230 1.00 . A A . 18 MET HE1 1 1 10 7266 1 1 16 MET HE2 H -1.834 -0.186 16.930 1.00 . A A . 18 MET HE2 1 1 10 7267 1 1 16 MET HE3 H -2.621 0.622 15.577 1.00 . A A . 18 MET HE3 1 1 10 7268 1 1 16 MET HG2 H -0.177 0.605 15.178 1.00 . A A . 18 MET HG2 1 1 10 7269 1 1 16 MET HG3 H 0.906 0.918 16.535 1.00 . A A . 18 MET HG3 1 1 10 7270 1 1 16 MET N N 2.058 1.584 13.016 1.00 . A A . 18 MET N 1 1 10 7271 1 1 16 MET O O -0.437 4.169 13.172 1.00 . A A . 18 MET O 1 1 10 7272 1 1 16 MET SD S -1.162 2.109 16.763 1.00 . A A . 18 MET SD 1 1 10 7273 1 1 17 GLU C C -0.512 4.693 10.124 1.00 . A A . 19 GLU C 1 1 10 7274 1 1 17 GLU CA C 0.800 4.885 10.888 1.00 . A A . 19 GLU CA 1 1 10 7275 1 1 17 GLU CB C 1.943 5.132 9.895 1.00 . A A . 19 GLU CB 1 1 10 7276 1 1 17 GLU CD C 2.708 6.572 8.003 1.00 . A A . 19 GLU CD 1 1 10 7277 1 1 17 GLU CG C 1.498 6.137 8.829 1.00 . A A . 19 GLU CG 1 1 10 7278 1 1 17 GLU H H 1.781 3.031 11.374 1.00 . A A . 19 GLU H 1 1 10 7279 1 1 17 GLU HA H 0.710 5.731 11.552 1.00 . A A . 19 GLU HA 1 1 10 7280 1 1 17 GLU HB2 H 2.798 5.525 10.425 1.00 . A A . 19 GLU HB2 1 1 10 7281 1 1 17 GLU HB3 H 2.212 4.201 9.419 1.00 . A A . 19 GLU HB3 1 1 10 7282 1 1 17 GLU HG2 H 0.766 5.674 8.182 1.00 . A A . 19 GLU HG2 1 1 10 7283 1 1 17 GLU HG3 H 1.061 6.999 9.308 1.00 . A A . 19 GLU HG3 1 1 10 7284 1 1 17 GLU N N 1.090 3.657 11.679 1.00 . A A . 19 GLU N 1 1 10 7285 1 1 17 GLU O O -0.620 3.841 9.265 1.00 . A A . 19 GLU O 1 1 10 7286 1 1 17 GLU OE1 O 3.483 7.374 8.499 1.00 . A A . 19 GLU OE1 1 1 10 7287 1 1 17 GLU OE2 O 2.841 6.097 6.885 1.00 . A A . 19 GLU OE2 1 1 10 7288 1 1 18 TYR C C -2.720 6.050 8.365 1.00 . A A . 20 TYR C 1 1 10 7289 1 1 18 TYR CA C -2.805 5.339 9.713 1.00 . A A . 20 TYR CA 1 1 10 7290 1 1 18 TYR CB C -3.920 5.962 10.550 1.00 . A A . 20 TYR CB 1 1 10 7291 1 1 18 TYR CD1 C -5.574 4.750 9.083 1.00 . A A . 20 TYR CD1 1 1 10 7292 1 1 18 TYR CD2 C -6.000 4.873 11.466 1.00 . A A . 20 TYR CD2 1 1 10 7293 1 1 18 TYR CE1 C -6.758 4.024 8.909 1.00 . A A . 20 TYR CE1 1 1 10 7294 1 1 18 TYR CE2 C -7.185 4.147 11.292 1.00 . A A . 20 TYR CE2 1 1 10 7295 1 1 18 TYR CG C -5.195 5.176 10.363 1.00 . A A . 20 TYR CG 1 1 10 7296 1 1 18 TYR CZ C -7.563 3.723 10.013 1.00 . A A . 20 TYR CZ 1 1 10 7297 1 1 18 TYR H H -1.400 6.163 11.121 1.00 . A A . 20 TYR H 1 1 10 7298 1 1 18 TYR HA H -3.017 4.291 9.555 1.00 . A A . 20 TYR HA 1 1 10 7299 1 1 18 TYR HB2 H -3.636 5.946 11.590 1.00 . A A . 20 TYR HB2 1 1 10 7300 1 1 18 TYR HB3 H -4.077 6.982 10.235 1.00 . A A . 20 TYR HB3 1 1 10 7301 1 1 18 TYR HD1 H -4.952 4.983 8.231 1.00 . A A . 20 TYR HD1 1 1 10 7302 1 1 18 TYR HD2 H -5.709 5.202 12.453 1.00 . A A . 20 TYR HD2 1 1 10 7303 1 1 18 TYR HE1 H -7.050 3.697 7.922 1.00 . A A . 20 TYR HE1 1 1 10 7304 1 1 18 TYR HE2 H -7.805 3.915 12.144 1.00 . A A . 20 TYR HE2 1 1 10 7305 1 1 18 TYR HH H -8.788 2.358 10.544 1.00 . A A . 20 TYR HH 1 1 10 7306 1 1 18 TYR N N -1.507 5.480 10.428 1.00 . A A . 20 TYR N 1 1 10 7307 1 1 18 TYR O O -2.545 7.251 8.290 1.00 . A A . 20 TYR O 1 1 10 7308 1 1 18 TYR OH O -8.731 3.008 9.840 1.00 . A A . 20 TYR OH 1 1 10 7309 1 1 19 ARG C C -3.567 5.082 4.955 1.00 . A A . 21 ARG C 1 1 10 7310 1 1 19 ARG CA C -2.759 5.930 5.947 1.00 . A A . 21 ARG CA 1 1 10 7311 1 1 19 ARG CB C -1.297 5.978 5.496 1.00 . A A . 21 ARG CB 1 1 10 7312 1 1 19 ARG CD C -0.069 8.151 5.625 1.00 . A A . 21 ARG CD 1 1 10 7313 1 1 19 ARG CG C -1.026 7.305 4.783 1.00 . A A . 21 ARG CG 1 1 10 7314 1 1 19 ARG CZ C 1.733 9.722 5.229 1.00 . A A . 21 ARG CZ 1 1 10 7315 1 1 19 ARG H H -2.973 4.348 7.391 1.00 . A A . 21 ARG H 1 1 10 7316 1 1 19 ARG HA H -3.156 6.932 5.983 1.00 . A A . 21 ARG HA 1 1 10 7317 1 1 19 ARG HB2 H -0.653 5.895 6.360 1.00 . A A . 21 ARG HB2 1 1 10 7318 1 1 19 ARG HB3 H -1.100 5.161 4.819 1.00 . A A . 21 ARG HB3 1 1 10 7319 1 1 19 ARG HD2 H -0.635 8.852 6.219 1.00 . A A . 21 ARG HD2 1 1 10 7320 1 1 19 ARG HD3 H 0.505 7.507 6.275 1.00 . A A . 21 ARG HD3 1 1 10 7321 1 1 19 ARG HE H 0.803 8.771 3.755 1.00 . A A . 21 ARG HE 1 1 10 7322 1 1 19 ARG HG2 H -0.583 7.110 3.818 1.00 . A A . 21 ARG HG2 1 1 10 7323 1 1 19 ARG HG3 H -1.955 7.839 4.652 1.00 . A A . 21 ARG HG3 1 1 10 7324 1 1 19 ARG HH11 H 2.900 8.271 5.965 1.00 . A A . 21 ARG HH11 1 1 10 7325 1 1 19 ARG HH12 H 3.447 9.889 6.251 1.00 . A A . 21 ARG HH12 1 1 10 7326 1 1 19 ARG HH21 H 0.774 11.366 4.608 1.00 . A A . 21 ARG HH21 1 1 10 7327 1 1 19 ARG HH22 H 2.244 11.640 5.482 1.00 . A A . 21 ARG HH22 1 1 10 7328 1 1 19 ARG N N -2.836 5.312 7.299 1.00 . A A . 21 ARG N 1 1 10 7329 1 1 19 ARG NE N 0.855 8.898 4.725 1.00 . A A . 21 ARG NE 1 1 10 7330 1 1 19 ARG NH1 N 2.775 9.257 5.864 1.00 . A A . 21 ARG NH1 1 1 10 7331 1 1 19 ARG NH2 N 1.571 11.011 5.096 1.00 . A A . 21 ARG NH2 1 1 10 7332 1 1 19 ARG O O -3.143 4.007 4.582 1.00 . A A . 21 ARG O 1 1 10 7333 1 1 20 PRO C C -5.077 5.024 2.182 1.00 . A A . 22 PRO C 1 1 10 7334 1 1 20 PRO CA C -5.599 4.888 3.619 1.00 . A A . 22 PRO CA 1 1 10 7335 1 1 20 PRO CB C -6.939 5.611 3.787 1.00 . A A . 22 PRO CB 1 1 10 7336 1 1 20 PRO CD C -5.221 6.897 5.018 1.00 . A A . 22 PRO CD 1 1 10 7337 1 1 20 PRO CG C -6.615 7.006 4.371 1.00 . A A . 22 PRO CG 1 1 10 7338 1 1 20 PRO HA H -5.703 3.851 3.890 1.00 . A A . 22 PRO HA 1 1 10 7339 1 1 20 PRO HB2 H -7.428 5.711 2.830 1.00 . A A . 22 PRO HB2 1 1 10 7340 1 1 20 PRO HB3 H -7.570 5.067 4.473 1.00 . A A . 22 PRO HB3 1 1 10 7341 1 1 20 PRO HD2 H -4.581 7.698 4.671 1.00 . A A . 22 PRO HD2 1 1 10 7342 1 1 20 PRO HD3 H -5.300 6.912 6.094 1.00 . A A . 22 PRO HD3 1 1 10 7343 1 1 20 PRO HG2 H -6.603 7.744 3.582 1.00 . A A . 22 PRO HG2 1 1 10 7344 1 1 20 PRO HG3 H -7.344 7.273 5.121 1.00 . A A . 22 PRO HG3 1 1 10 7345 1 1 20 PRO N N -4.710 5.588 4.562 1.00 . A A . 22 PRO N 1 1 10 7346 1 1 20 PRO O O -4.992 6.108 1.641 1.00 . A A . 22 PRO O 1 1 10 7347 1 1 21 LEU C C -5.196 3.277 -0.776 1.00 . A A . 23 LEU C 1 1 10 7348 1 1 21 LEU CA C -4.217 3.991 0.160 1.00 . A A . 23 LEU CA 1 1 10 7349 1 1 21 LEU CB C -2.848 3.306 0.077 1.00 . A A . 23 LEU CB 1 1 10 7350 1 1 21 LEU CD1 C -0.526 3.252 0.990 1.00 . A A . 23 LEU CD1 1 1 10 7351 1 1 21 LEU CD2 C -1.754 5.423 0.836 1.00 . A A . 23 LEU CD2 1 1 10 7352 1 1 21 LEU CG C -1.896 3.922 1.104 1.00 . A A . 23 LEU CG 1 1 10 7353 1 1 21 LEU H H -4.809 3.060 2.017 1.00 . A A . 23 LEU H 1 1 10 7354 1 1 21 LEU HA H -4.120 5.025 -0.140 1.00 . A A . 23 LEU HA 1 1 10 7355 1 1 21 LEU HB2 H -2.959 2.254 0.281 1.00 . A A . 23 LEU HB2 1 1 10 7356 1 1 21 LEU HB3 H -2.440 3.438 -0.913 1.00 . A A . 23 LEU HB3 1 1 10 7357 1 1 21 LEU HD11 H 0.247 3.975 1.205 1.00 . A A . 23 LEU HD11 1 1 10 7358 1 1 21 LEU HD12 H -0.395 2.870 -0.012 1.00 . A A . 23 LEU HD12 1 1 10 7359 1 1 21 LEU HD13 H -0.463 2.439 1.697 1.00 . A A . 23 LEU HD13 1 1 10 7360 1 1 21 LEU HD21 H -0.706 5.678 0.767 1.00 . A A . 23 LEU HD21 1 1 10 7361 1 1 21 LEU HD22 H -2.206 5.977 1.645 1.00 . A A . 23 LEU HD22 1 1 10 7362 1 1 21 LEU HD23 H -2.247 5.672 -0.092 1.00 . A A . 23 LEU HD23 1 1 10 7363 1 1 21 LEU HG H -2.290 3.767 2.098 1.00 . A A . 23 LEU HG 1 1 10 7364 1 1 21 LEU N N -4.730 3.926 1.563 1.00 . A A . 23 LEU N 1 1 10 7365 1 1 21 LEU O O -5.570 2.143 -0.548 1.00 . A A . 23 LEU O 1 1 10 7366 1 1 22 CYS C C -5.777 2.514 -3.843 1.00 . A A . 24 CYS C 1 1 10 7367 1 1 22 CYS CA C -6.561 3.270 -2.774 1.00 . A A . 24 CYS CA 1 1 10 7368 1 1 22 CYS CB C -7.416 4.330 -3.469 1.00 . A A . 24 CYS CB 1 1 10 7369 1 1 22 CYS H H -5.296 4.836 -2.003 1.00 . A A . 24 CYS H 1 1 10 7370 1 1 22 CYS HA H -7.200 2.589 -2.230 1.00 . A A . 24 CYS HA 1 1 10 7371 1 1 22 CYS HB2 H -7.800 5.020 -2.742 1.00 . A A . 24 CYS HB2 1 1 10 7372 1 1 22 CYS HB3 H -6.810 4.864 -4.189 1.00 . A A . 24 CYS HB3 1 1 10 7373 1 1 22 CYS N N -5.610 3.924 -1.831 1.00 . A A . 24 CYS N 1 1 10 7374 1 1 22 CYS O O -5.460 3.063 -4.876 1.00 . A A . 24 CYS O 1 1 10 7375 1 1 22 CYS SG S -8.793 3.526 -4.325 1.00 . A A . 24 CYS SG 1 1 10 7376 1 1 23 GLY C C -5.329 0.757 -6.020 1.00 . A A . 25 GLY C 1 1 10 7377 1 1 23 GLY CA C -4.704 0.499 -4.646 1.00 . A A . 25 GLY CA 1 1 10 7378 1 1 23 GLY H H -5.730 0.835 -2.779 1.00 . A A . 25 GLY H 1 1 10 7379 1 1 23 GLY HA2 H -3.673 0.825 -4.650 1.00 . A A . 25 GLY HA2 1 1 10 7380 1 1 23 GLY HA3 H -4.752 -0.555 -4.423 1.00 . A A . 25 GLY HA3 1 1 10 7381 1 1 23 GLY N N -5.464 1.266 -3.616 1.00 . A A . 25 GLY N 1 1 10 7382 1 1 23 GLY O O -6.524 0.945 -6.135 1.00 . A A . 25 GLY O 1 1 10 7383 1 1 24 SER C C -6.254 0.069 -8.717 1.00 . A A . 26 SER C 1 1 10 7384 1 1 24 SER CA C -5.098 1.031 -8.420 1.00 . A A . 26 SER CA 1 1 10 7385 1 1 24 SER CB C -3.999 0.826 -9.460 1.00 . A A . 26 SER CB 1 1 10 7386 1 1 24 SER H H -3.571 0.623 -6.951 1.00 . A A . 26 SER H 1 1 10 7387 1 1 24 SER HA H -5.455 2.048 -8.474 1.00 . A A . 26 SER HA 1 1 10 7388 1 1 24 SER HB2 H -3.509 1.764 -9.661 1.00 . A A . 26 SER HB2 1 1 10 7389 1 1 24 SER HB3 H -3.277 0.119 -9.077 1.00 . A A . 26 SER HB3 1 1 10 7390 1 1 24 SER HG H -4.411 -0.614 -10.703 1.00 . A A . 26 SER HG 1 1 10 7391 1 1 24 SER N N -4.539 0.774 -7.061 1.00 . A A . 26 SER N 1 1 10 7392 1 1 24 SER O O -7.035 0.290 -9.621 1.00 . A A . 26 SER O 1 1 10 7393 1 1 24 SER OG O -4.576 0.332 -10.661 1.00 . A A . 26 SER OG 1 1 10 7394 1 1 25 ASP C C -8.727 -1.561 -7.455 1.00 . A A . 27 ASP C 1 1 10 7395 1 1 25 ASP CA C -7.479 -1.964 -8.246 1.00 . A A . 27 ASP CA 1 1 10 7396 1 1 25 ASP CB C -7.044 -3.374 -7.842 1.00 . A A . 27 ASP CB 1 1 10 7397 1 1 25 ASP CG C -7.079 -3.514 -6.319 1.00 . A A . 27 ASP CG 1 1 10 7398 1 1 25 ASP H H -5.731 -1.172 -7.256 1.00 . A A . 27 ASP H 1 1 10 7399 1 1 25 ASP HA H -7.709 -1.952 -9.301 1.00 . A A . 27 ASP HA 1 1 10 7400 1 1 25 ASP HB2 H -7.718 -4.093 -8.282 1.00 . A A . 27 ASP HB2 1 1 10 7401 1 1 25 ASP HB3 H -6.042 -3.556 -8.195 1.00 . A A . 27 ASP HB3 1 1 10 7402 1 1 25 ASP N N -6.371 -1.000 -7.978 1.00 . A A . 27 ASP N 1 1 10 7403 1 1 25 ASP O O -9.591 -2.369 -7.184 1.00 . A A . 27 ASP O 1 1 10 7404 1 1 25 ASP OD1 O -6.585 -2.620 -5.653 1.00 . A A . 27 ASP OD1 1 1 10 7405 1 1 25 ASP OD2 O -7.599 -4.511 -5.848 1.00 . A A . 27 ASP OD2 1 1 10 7406 1 1 26 ASN C C -10.071 -0.544 -4.959 1.00 . A A . 28 ASN C 1 1 10 7407 1 1 26 ASN CA C -10.023 0.147 -6.324 1.00 . A A . 28 ASN CA 1 1 10 7408 1 1 26 ASN CB C -11.293 -0.194 -7.107 1.00 . A A . 28 ASN CB 1 1 10 7409 1 1 26 ASN CG C -12.396 0.806 -6.751 1.00 . A A . 28 ASN CG 1 1 10 7410 1 1 26 ASN H H -8.122 0.320 -7.324 1.00 . A A . 28 ASN H 1 1 10 7411 1 1 26 ASN HA H -9.967 1.216 -6.182 1.00 . A A . 28 ASN HA 1 1 10 7412 1 1 26 ASN HB2 H -11.086 -0.142 -8.167 1.00 . A A . 28 ASN HB2 1 1 10 7413 1 1 26 ASN HB3 H -11.617 -1.192 -6.852 1.00 . A A . 28 ASN HB3 1 1 10 7414 1 1 26 ASN HD21 H -11.650 1.209 -4.955 1.00 . A A . 28 ASN HD21 1 1 10 7415 1 1 26 ASN HD22 H -13.072 2.042 -5.352 1.00 . A A . 28 ASN HD22 1 1 10 7416 1 1 26 ASN N N -8.829 -0.314 -7.089 1.00 . A A . 28 ASN N 1 1 10 7417 1 1 26 ASN ND2 N -12.370 1.401 -5.589 1.00 . A A . 28 ASN ND2 1 1 10 7418 1 1 26 ASN O O -11.128 -0.856 -4.449 1.00 . A A . 28 ASN O 1 1 10 7419 1 1 26 ASN OD1 O -13.291 1.047 -7.537 1.00 . A A . 28 ASN OD1 1 1 10 7420 1 1 27 LYS C C -8.478 -0.457 -1.954 1.00 . A A . 29 LYS C 1 1 10 7421 1 1 27 LYS CA C -8.935 -1.450 -3.022 1.00 . A A . 29 LYS CA 1 1 10 7422 1 1 27 LYS CB C -7.978 -2.642 -3.040 1.00 . A A . 29 LYS CB 1 1 10 7423 1 1 27 LYS CD C -9.753 -4.348 -2.611 1.00 . A A . 29 LYS CD 1 1 10 7424 1 1 27 LYS CE C -10.951 -4.923 -3.370 1.00 . A A . 29 LYS CE 1 1 10 7425 1 1 27 LYS CG C -8.697 -3.867 -3.609 1.00 . A A . 29 LYS CG 1 1 10 7426 1 1 27 LYS H H -8.091 -0.523 -4.781 1.00 . A A . 29 LYS H 1 1 10 7427 1 1 27 LYS HA H -9.931 -1.794 -2.791 1.00 . A A . 29 LYS HA 1 1 10 7428 1 1 27 LYS HB2 H -7.123 -2.408 -3.654 1.00 . A A . 29 LYS HB2 1 1 10 7429 1 1 27 LYS HB3 H -7.652 -2.855 -2.034 1.00 . A A . 29 LYS HB3 1 1 10 7430 1 1 27 LYS HD2 H -9.328 -5.111 -1.976 1.00 . A A . 29 LYS HD2 1 1 10 7431 1 1 27 LYS HD3 H -10.081 -3.516 -2.005 1.00 . A A . 29 LYS HD3 1 1 10 7432 1 1 27 LYS HE2 H -11.845 -4.386 -3.094 1.00 . A A . 29 LYS HE2 1 1 10 7433 1 1 27 LYS HE3 H -10.785 -4.826 -4.432 1.00 . A A . 29 LYS HE3 1 1 10 7434 1 1 27 LYS HG2 H -9.174 -3.605 -4.542 1.00 . A A . 29 LYS HG2 1 1 10 7435 1 1 27 LYS HG3 H -7.981 -4.658 -3.779 1.00 . A A . 29 LYS HG3 1 1 10 7436 1 1 27 LYS HZ1 H -11.527 -6.448 -2.073 1.00 . A A . 29 LYS HZ1 1 1 10 7437 1 1 27 LYS HZ2 H -10.182 -6.832 -3.038 1.00 . A A . 29 LYS HZ2 1 1 10 7438 1 1 27 LYS HZ3 H -11.739 -6.820 -3.715 1.00 . A A . 29 LYS HZ3 1 1 10 7439 1 1 27 LYS N N -8.937 -0.783 -4.357 1.00 . A A . 29 LYS N 1 1 10 7440 1 1 27 LYS NZ N -11.112 -6.364 -3.022 1.00 . A A . 29 LYS NZ 1 1 10 7441 1 1 27 LYS O O -7.712 0.447 -2.221 1.00 . A A . 29 LYS O 1 1 10 7442 1 1 28 THR C C -7.413 -0.332 1.162 1.00 . A A . 30 THR C 1 1 10 7443 1 1 28 THR CA C -8.528 0.312 0.339 1.00 . A A . 30 THR CA 1 1 10 7444 1 1 28 THR CB C -9.724 0.616 1.244 1.00 . A A . 30 THR CB 1 1 10 7445 1 1 28 THR CG2 C -9.239 1.338 2.501 1.00 . A A . 30 THR CG2 1 1 10 7446 1 1 28 THR H H -9.556 -1.357 -0.550 1.00 . A A . 30 THR H 1 1 10 7447 1 1 28 THR HA H -8.166 1.231 -0.097 1.00 . A A . 30 THR HA 1 1 10 7448 1 1 28 THR HB H -10.210 -0.306 1.525 1.00 . A A . 30 THR HB 1 1 10 7449 1 1 28 THR HG1 H -11.503 1.350 0.959 1.00 . A A . 30 THR HG1 1 1 10 7450 1 1 28 THR HG21 H -9.968 2.080 2.795 1.00 . A A . 30 THR HG21 1 1 10 7451 1 1 28 THR HG22 H -8.296 1.821 2.296 1.00 . A A . 30 THR HG22 1 1 10 7452 1 1 28 THR HG23 H -9.112 0.623 3.301 1.00 . A A . 30 THR HG23 1 1 10 7453 1 1 28 THR N N -8.941 -0.620 -0.745 1.00 . A A . 30 THR N 1 1 10 7454 1 1 28 THR O O -7.463 -1.501 1.489 1.00 . A A . 30 THR O 1 1 10 7455 1 1 28 THR OG1 O -10.643 1.444 0.544 1.00 . A A . 30 THR OG1 1 1 10 7456 1 1 29 TYR C C -5.208 0.550 3.638 1.00 . A A . 31 TYR C 1 1 10 7457 1 1 29 TYR CA C -5.274 -0.138 2.278 1.00 . A A . 31 TYR CA 1 1 10 7458 1 1 29 TYR CB C -3.983 0.099 1.513 1.00 . A A . 31 TYR CB 1 1 10 7459 1 1 29 TYR CD1 C -3.686 -2.303 0.808 1.00 . A A . 31 TYR CD1 1 1 10 7460 1 1 29 TYR CD2 C -3.856 -0.595 -0.906 1.00 . A A . 31 TYR CD2 1 1 10 7461 1 1 29 TYR CE1 C -3.558 -3.285 -0.182 1.00 . A A . 31 TYR CE1 1 1 10 7462 1 1 29 TYR CE2 C -3.730 -1.577 -1.895 1.00 . A A . 31 TYR CE2 1 1 10 7463 1 1 29 TYR CG C -3.835 -0.959 0.446 1.00 . A A . 31 TYR CG 1 1 10 7464 1 1 29 TYR CZ C -3.581 -2.921 -1.533 1.00 . A A . 31 TYR CZ 1 1 10 7465 1 1 29 TYR H H -6.375 1.355 1.211 1.00 . A A . 31 TYR H 1 1 10 7466 1 1 29 TYR HA H -5.414 -1.196 2.421 1.00 . A A . 31 TYR HA 1 1 10 7467 1 1 29 TYR HB2 H -4.021 1.072 1.053 1.00 . A A . 31 TYR HB2 1 1 10 7468 1 1 29 TYR HB3 H -3.150 0.053 2.188 1.00 . A A . 31 TYR HB3 1 1 10 7469 1 1 29 TYR HD1 H -3.668 -2.584 1.850 1.00 . A A . 31 TYR HD1 1 1 10 7470 1 1 29 TYR HD2 H -3.972 0.441 -1.186 1.00 . A A . 31 TYR HD2 1 1 10 7471 1 1 29 TYR HE1 H -3.442 -4.320 0.095 1.00 . A A . 31 TYR HE1 1 1 10 7472 1 1 29 TYR HE2 H -3.746 -1.297 -2.939 1.00 . A A . 31 TYR HE2 1 1 10 7473 1 1 29 TYR HH H -3.710 -3.498 -3.348 1.00 . A A . 31 TYR HH 1 1 10 7474 1 1 29 TYR N N -6.400 0.420 1.490 1.00 . A A . 31 TYR N 1 1 10 7475 1 1 29 TYR O O -5.805 1.587 3.853 1.00 . A A . 31 TYR O 1 1 10 7476 1 1 29 TYR OH O -3.461 -3.890 -2.506 1.00 . A A . 31 TYR OH 1 1 10 7477 1 1 30 GLY C C -3.146 1.462 5.993 1.00 . A A . 32 GLY C 1 1 10 7478 1 1 30 GLY CA C -4.383 0.571 5.915 1.00 . A A . 32 GLY CA 1 1 10 7479 1 1 30 GLY H H -4.019 -0.863 4.352 1.00 . A A . 32 GLY H 1 1 10 7480 1 1 30 GLY HA2 H -5.265 1.164 6.115 1.00 . A A . 32 GLY HA2 1 1 10 7481 1 1 30 GLY HA3 H -4.304 -0.214 6.651 1.00 . A A . 32 GLY HA3 1 1 10 7482 1 1 30 GLY N N -4.490 -0.028 4.558 1.00 . A A . 32 GLY N 1 1 10 7483 1 1 30 GLY O O -3.063 2.341 6.824 1.00 . A A . 32 GLY O 1 1 10 7484 1 1 31 ASN C C 0.077 1.567 4.186 1.00 . A A . 33 ASN C 1 1 10 7485 1 1 31 ASN CA C -0.964 2.097 5.174 1.00 . A A . 33 ASN CA 1 1 10 7486 1 1 31 ASN CB C -0.366 2.092 6.586 1.00 . A A . 33 ASN CB 1 1 10 7487 1 1 31 ASN CG C -0.108 0.652 7.039 1.00 . A A . 33 ASN CG 1 1 10 7488 1 1 31 ASN H H -2.276 0.536 4.463 1.00 . A A . 33 ASN H 1 1 10 7489 1 1 31 ASN HA H -1.226 3.109 4.904 1.00 . A A . 33 ASN HA 1 1 10 7490 1 1 31 ASN HB2 H 0.566 2.638 6.582 1.00 . A A . 33 ASN HB2 1 1 10 7491 1 1 31 ASN HB3 H -1.052 2.565 7.271 1.00 . A A . 33 ASN HB3 1 1 10 7492 1 1 31 ASN HD21 H 0.645 1.194 8.797 1.00 . A A . 33 ASN HD21 1 1 10 7493 1 1 31 ASN HD22 H 0.582 -0.479 8.520 1.00 . A A . 33 ASN HD22 1 1 10 7494 1 1 31 ASN N N -2.188 1.248 5.135 1.00 . A A . 33 ASN N 1 1 10 7495 1 1 31 ASN ND2 N 0.418 0.438 8.216 1.00 . A A . 33 ASN ND2 1 1 10 7496 1 1 31 ASN O O -0.146 0.608 3.475 1.00 . A A . 33 ASN O 1 1 10 7497 1 1 31 ASN OD1 O -0.383 -0.284 6.315 1.00 . A A . 33 ASN OD1 1 1 10 7498 1 1 32 LYS C C 2.664 0.312 3.476 1.00 . A A . 34 LYS C 1 1 10 7499 1 1 32 LYS CA C 2.293 1.772 3.211 1.00 . A A . 34 LYS CA 1 1 10 7500 1 1 32 LYS CB C 3.527 2.650 3.430 1.00 . A A . 34 LYS CB 1 1 10 7501 1 1 32 LYS CD C 4.750 4.632 2.529 1.00 . A A . 34 LYS CD 1 1 10 7502 1 1 32 LYS CE C 4.896 5.674 3.640 1.00 . A A . 34 LYS CE 1 1 10 7503 1 1 32 LYS CG C 3.383 3.953 2.641 1.00 . A A . 34 LYS CG 1 1 10 7504 1 1 32 LYS H H 1.354 2.972 4.722 1.00 . A A . 34 LYS H 1 1 10 7505 1 1 32 LYS HA H 1.954 1.878 2.191 1.00 . A A . 34 LYS HA 1 1 10 7506 1 1 32 LYS HB2 H 3.623 2.876 4.482 1.00 . A A . 34 LYS HB2 1 1 10 7507 1 1 32 LYS HB3 H 4.407 2.124 3.093 1.00 . A A . 34 LYS HB3 1 1 10 7508 1 1 32 LYS HD2 H 5.530 3.889 2.625 1.00 . A A . 34 LYS HD2 1 1 10 7509 1 1 32 LYS HD3 H 4.832 5.118 1.568 1.00 . A A . 34 LYS HD3 1 1 10 7510 1 1 32 LYS HE2 H 4.328 6.555 3.383 1.00 . A A . 34 LYS HE2 1 1 10 7511 1 1 32 LYS HE3 H 4.527 5.266 4.568 1.00 . A A . 34 LYS HE3 1 1 10 7512 1 1 32 LYS HG2 H 3.005 3.735 1.652 1.00 . A A . 34 LYS HG2 1 1 10 7513 1 1 32 LYS HG3 H 2.697 4.612 3.152 1.00 . A A . 34 LYS HG3 1 1 10 7514 1 1 32 LYS HZ1 H 6.430 7.073 3.800 1.00 . A A . 34 LYS HZ1 1 1 10 7515 1 1 32 LYS HZ2 H 6.878 5.644 2.998 1.00 . A A . 34 LYS HZ2 1 1 10 7516 1 1 32 LYS HZ3 H 6.697 5.652 4.687 1.00 . A A . 34 LYS HZ3 1 1 10 7517 1 1 32 LYS N N 1.212 2.202 4.141 1.00 . A A . 34 LYS N 1 1 10 7518 1 1 32 LYS NZ N 6.335 6.039 3.793 1.00 . A A . 34 LYS NZ 1 1 10 7519 1 1 32 LYS O O 3.257 -0.343 2.644 1.00 . A A . 34 LYS O 1 1 10 7520 1 1 33 CYS C C 1.705 -2.547 4.186 1.00 . A A . 35 CYS C 1 1 10 7521 1 1 33 CYS CA C 2.686 -1.629 4.910 1.00 . A A . 35 CYS CA 1 1 10 7522 1 1 33 CYS CB C 2.618 -1.895 6.413 1.00 . A A . 35 CYS CB 1 1 10 7523 1 1 33 CYS H H 1.854 0.326 5.295 1.00 . A A . 35 CYS H 1 1 10 7524 1 1 33 CYS HA H 3.687 -1.826 4.555 1.00 . A A . 35 CYS HA 1 1 10 7525 1 1 33 CYS HB2 H 3.350 -1.285 6.922 1.00 . A A . 35 CYS HB2 1 1 10 7526 1 1 33 CYS HB3 H 1.630 -1.655 6.778 1.00 . A A . 35 CYS HB3 1 1 10 7527 1 1 33 CYS N N 2.332 -0.210 4.625 1.00 . A A . 35 CYS N 1 1 10 7528 1 1 33 CYS O O 2.073 -3.582 3.667 1.00 . A A . 35 CYS O 1 1 10 7529 1 1 33 CYS SG S 2.967 -3.645 6.720 1.00 . A A . 35 CYS SG 1 1 10 7530 1 1 34 ASN C C -0.500 -2.717 1.949 1.00 . A A . 36 ASN C 1 1 10 7531 1 1 34 ASN CA C -0.548 -3.014 3.451 1.00 . A A . 36 ASN CA 1 1 10 7532 1 1 34 ASN CB C -1.931 -2.675 4.000 1.00 . A A . 36 ASN CB 1 1 10 7533 1 1 34 ASN CG C -2.670 -3.965 4.363 1.00 . A A . 36 ASN CG 1 1 10 7534 1 1 34 ASN H H 0.182 -1.334 4.564 1.00 . A A . 36 ASN H 1 1 10 7535 1 1 34 ASN HA H -0.334 -4.057 3.623 1.00 . A A . 36 ASN HA 1 1 10 7536 1 1 34 ASN HB2 H -1.826 -2.061 4.884 1.00 . A A . 36 ASN HB2 1 1 10 7537 1 1 34 ASN HB3 H -2.491 -2.136 3.255 1.00 . A A . 36 ASN HB3 1 1 10 7538 1 1 34 ASN HD21 H -1.576 -4.293 5.988 1.00 . A A . 36 ASN HD21 1 1 10 7539 1 1 34 ASN HD22 H -2.774 -5.454 5.673 1.00 . A A . 36 ASN HD22 1 1 10 7540 1 1 34 ASN N N 0.458 -2.173 4.143 1.00 . A A . 36 ASN N 1 1 10 7541 1 1 34 ASN ND2 N -2.311 -4.627 5.430 1.00 . A A . 36 ASN ND2 1 1 10 7542 1 1 34 ASN O O -1.078 -3.423 1.146 1.00 . A A . 36 ASN O 1 1 10 7543 1 1 34 ASN OD1 O -3.581 -4.374 3.671 1.00 . A A . 36 ASN OD1 1 1 10 7544 1 1 35 PHE C C 1.489 -2.014 -0.507 1.00 . A A . 37 PHE C 1 1 10 7545 1 1 35 PHE CA C 0.277 -1.321 0.123 1.00 . A A . 37 PHE CA 1 1 10 7546 1 1 35 PHE CB C 0.428 0.195 -0.016 1.00 . A A . 37 PHE CB 1 1 10 7547 1 1 35 PHE CD1 C -0.798 0.081 -2.213 1.00 . A A . 37 PHE CD1 1 1 10 7548 1 1 35 PHE CD2 C 1.206 1.439 -2.066 1.00 . A A . 37 PHE CD2 1 1 10 7549 1 1 35 PHE CE1 C -0.940 0.437 -3.559 1.00 . A A . 37 PHE CE1 1 1 10 7550 1 1 35 PHE CE2 C 1.064 1.793 -3.413 1.00 . A A . 37 PHE CE2 1 1 10 7551 1 1 35 PHE CG C 0.275 0.583 -1.467 1.00 . A A . 37 PHE CG 1 1 10 7552 1 1 35 PHE CZ C -0.009 1.294 -4.159 1.00 . A A . 37 PHE CZ 1 1 10 7553 1 1 35 PHE H H 0.644 -1.118 2.234 1.00 . A A . 37 PHE H 1 1 10 7554 1 1 35 PHE HA H -0.620 -1.642 -0.383 1.00 . A A . 37 PHE HA 1 1 10 7555 1 1 35 PHE HB2 H -0.331 0.689 0.573 1.00 . A A . 37 PHE HB2 1 1 10 7556 1 1 35 PHE HB3 H 1.406 0.494 0.334 1.00 . A A . 37 PHE HB3 1 1 10 7557 1 1 35 PHE HD1 H -1.516 -0.579 -1.749 1.00 . A A . 37 PHE HD1 1 1 10 7558 1 1 35 PHE HD2 H 2.034 1.826 -1.490 1.00 . A A . 37 PHE HD2 1 1 10 7559 1 1 35 PHE HE1 H -1.769 0.051 -4.135 1.00 . A A . 37 PHE HE1 1 1 10 7560 1 1 35 PHE HE2 H 1.782 2.453 -3.876 1.00 . A A . 37 PHE HE2 1 1 10 7561 1 1 35 PHE HZ H -0.119 1.567 -5.198 1.00 . A A . 37 PHE HZ 1 1 10 7562 1 1 35 PHE N N 0.187 -1.674 1.568 1.00 . A A . 37 PHE N 1 1 10 7563 1 1 35 PHE O O 1.396 -2.620 -1.556 1.00 . A A . 37 PHE O 1 1 10 7564 1 1 36 CYS C C 3.703 -4.095 -0.322 1.00 . A A . 38 CYS C 1 1 10 7565 1 1 36 CYS CA C 3.843 -2.576 -0.440 1.00 . A A . 38 CYS CA 1 1 10 7566 1 1 36 CYS CB C 5.075 -2.111 0.337 1.00 . A A . 38 CYS CB 1 1 10 7567 1 1 36 CYS H H 2.682 -1.435 0.967 1.00 . A A . 38 CYS H 1 1 10 7568 1 1 36 CYS HA H 3.947 -2.306 -1.479 1.00 . A A . 38 CYS HA 1 1 10 7569 1 1 36 CYS HB2 H 4.941 -2.329 1.385 1.00 . A A . 38 CYS HB2 1 1 10 7570 1 1 36 CYS HB3 H 5.949 -2.630 -0.030 1.00 . A A . 38 CYS HB3 1 1 10 7571 1 1 36 CYS N N 2.627 -1.927 0.123 1.00 . A A . 38 CYS N 1 1 10 7572 1 1 36 CYS O O 4.242 -4.841 -1.115 1.00 . A A . 38 CYS O 1 1 10 7573 1 1 36 CYS SG S 5.296 -0.327 0.116 1.00 . A A . 38 CYS SG 1 1 10 7574 1 1 37 ASN C C 1.772 -6.513 -0.201 1.00 . A A . 39 ASN C 1 1 10 7575 1 1 37 ASN CA C 2.798 -6.029 0.817 1.00 . A A . 39 ASN CA 1 1 10 7576 1 1 37 ASN CB C 2.312 -6.349 2.233 1.00 . A A . 39 ASN CB 1 1 10 7577 1 1 37 ASN CG C 3.485 -6.855 3.075 1.00 . A A . 39 ASN CG 1 1 10 7578 1 1 37 ASN H H 2.543 -3.939 1.284 1.00 . A A . 39 ASN H 1 1 10 7579 1 1 37 ASN HA H 3.737 -6.525 0.631 1.00 . A A . 39 ASN HA 1 1 10 7580 1 1 37 ASN HB2 H 1.903 -5.456 2.683 1.00 . A A . 39 ASN HB2 1 1 10 7581 1 1 37 ASN HB3 H 1.549 -7.112 2.189 1.00 . A A . 39 ASN HB3 1 1 10 7582 1 1 37 ASN HD21 H 2.715 -8.669 3.319 1.00 . A A . 39 ASN HD21 1 1 10 7583 1 1 37 ASN HD22 H 4.221 -8.413 4.060 1.00 . A A . 39 ASN HD22 1 1 10 7584 1 1 37 ASN N N 2.976 -4.559 0.659 1.00 . A A . 39 ASN N 1 1 10 7585 1 1 37 ASN ND2 N 3.473 -8.081 3.522 1.00 . A A . 39 ASN ND2 1 1 10 7586 1 1 37 ASN O O 1.975 -7.497 -0.882 1.00 . A A . 39 ASN O 1 1 10 7587 1 1 37 ASN OD1 O 4.424 -6.126 3.329 1.00 . A A . 39 ASN OD1 1 1 10 7588 1 1 38 ALA C C 0.363 -6.262 -2.689 1.00 . A A . 40 ALA C 1 1 10 7589 1 1 38 ALA CA C -0.333 -6.228 -1.335 1.00 . A A . 40 ALA CA 1 1 10 7590 1 1 38 ALA CB C -1.479 -5.215 -1.365 1.00 . A A . 40 ALA CB 1 1 10 7591 1 1 38 ALA H H 0.545 -5.011 0.209 1.00 . A A . 40 ALA H 1 1 10 7592 1 1 38 ALA HA H -0.713 -7.211 -1.092 1.00 . A A . 40 ALA HA 1 1 10 7593 1 1 38 ALA HB1 H -1.176 -4.345 -1.928 1.00 . A A . 40 ALA HB1 1 1 10 7594 1 1 38 ALA HB2 H -1.726 -4.922 -0.355 1.00 . A A . 40 ALA HB2 1 1 10 7595 1 1 38 ALA HB3 H -2.345 -5.663 -1.832 1.00 . A A . 40 ALA HB3 1 1 10 7596 1 1 38 ALA N N 0.680 -5.815 -0.332 1.00 . A A . 40 ALA N 1 1 10 7597 1 1 38 ALA O O -0.015 -6.989 -3.587 1.00 . A A . 40 ALA O 1 1 10 7598 1 1 39 VAL C C 3.005 -6.713 -4.210 1.00 . A A . 41 VAL C 1 1 10 7599 1 1 39 VAL CA C 2.158 -5.442 -4.098 1.00 . A A . 41 VAL CA 1 1 10 7600 1 1 39 VAL CB C 3.071 -4.211 -4.104 1.00 . A A . 41 VAL CB 1 1 10 7601 1 1 39 VAL CG1 C 4.141 -4.357 -5.188 1.00 . A A . 41 VAL CG1 1 1 10 7602 1 1 39 VAL CG2 C 2.233 -2.960 -4.381 1.00 . A A . 41 VAL CG2 1 1 10 7603 1 1 39 VAL H H 1.674 -4.911 -2.071 1.00 . A A . 41 VAL H 1 1 10 7604 1 1 39 VAL HA H 1.474 -5.389 -4.929 1.00 . A A . 41 VAL HA 1 1 10 7605 1 1 39 VAL HB H 3.549 -4.116 -3.139 1.00 . A A . 41 VAL HB 1 1 10 7606 1 1 39 VAL HG11 H 5.061 -4.702 -4.740 1.00 . A A . 41 VAL HG11 1 1 10 7607 1 1 39 VAL HG12 H 4.308 -3.401 -5.660 1.00 . A A . 41 VAL HG12 1 1 10 7608 1 1 39 VAL HG13 H 3.809 -5.072 -5.927 1.00 . A A . 41 VAL HG13 1 1 10 7609 1 1 39 VAL HG21 H 2.247 -2.747 -5.439 1.00 . A A . 41 VAL HG21 1 1 10 7610 1 1 39 VAL HG22 H 2.647 -2.123 -3.839 1.00 . A A . 41 VAL HG22 1 1 10 7611 1 1 39 VAL HG23 H 1.216 -3.130 -4.061 1.00 . A A . 41 VAL HG23 1 1 10 7612 1 1 39 VAL N N 1.395 -5.477 -2.822 1.00 . A A . 41 VAL N 1 1 10 7613 1 1 39 VAL O O 3.187 -7.255 -5.282 1.00 . A A . 41 VAL O 1 1 10 7614 1 1 40 VAL C C 3.450 -9.658 -3.216 1.00 . A A . 42 VAL C 1 1 10 7615 1 1 40 VAL CA C 4.358 -8.427 -3.161 1.00 . A A . 42 VAL CA 1 1 10 7616 1 1 40 VAL CB C 5.237 -8.499 -1.912 1.00 . A A . 42 VAL CB 1 1 10 7617 1 1 40 VAL CG1 C 6.060 -9.788 -1.943 1.00 . A A . 42 VAL CG1 1 1 10 7618 1 1 40 VAL CG2 C 6.182 -7.296 -1.880 1.00 . A A . 42 VAL CG2 1 1 10 7619 1 1 40 VAL H H 3.367 -6.738 -2.252 1.00 . A A . 42 VAL H 1 1 10 7620 1 1 40 VAL HA H 4.984 -8.402 -4.041 1.00 . A A . 42 VAL HA 1 1 10 7621 1 1 40 VAL HB H 4.611 -8.493 -1.031 1.00 . A A . 42 VAL HB 1 1 10 7622 1 1 40 VAL HG11 H 6.188 -10.110 -2.966 1.00 . A A . 42 VAL HG11 1 1 10 7623 1 1 40 VAL HG12 H 5.546 -10.558 -1.387 1.00 . A A . 42 VAL HG12 1 1 10 7624 1 1 40 VAL HG13 H 7.029 -9.609 -1.498 1.00 . A A . 42 VAL HG13 1 1 10 7625 1 1 40 VAL HG21 H 5.758 -6.522 -1.256 1.00 . A A . 42 VAL HG21 1 1 10 7626 1 1 40 VAL HG22 H 6.316 -6.917 -2.883 1.00 . A A . 42 VAL HG22 1 1 10 7627 1 1 40 VAL HG23 H 7.137 -7.599 -1.478 1.00 . A A . 42 VAL HG23 1 1 10 7628 1 1 40 VAL N N 3.524 -7.191 -3.111 1.00 . A A . 42 VAL N 1 1 10 7629 1 1 40 VAL O O 3.900 -10.763 -3.441 1.00 . A A . 42 VAL O 1 1 10 7630 1 1 41 GLU C C 0.525 -10.688 -4.394 1.00 . A A . 43 GLU C 1 1 10 7631 1 1 41 GLU CA C 1.241 -10.642 -3.042 1.00 . A A . 43 GLU CA 1 1 10 7632 1 1 41 GLU CB C 0.206 -10.500 -1.925 1.00 . A A . 43 GLU CB 1 1 10 7633 1 1 41 GLU CD C 0.604 -11.527 0.318 1.00 . A A . 43 GLU CD 1 1 10 7634 1 1 41 GLU CG C 0.922 -10.332 -0.583 1.00 . A A . 43 GLU CG 1 1 10 7635 1 1 41 GLU H H 1.829 -8.578 -2.824 1.00 . A A . 43 GLU H 1 1 10 7636 1 1 41 GLU HA H 1.801 -11.553 -2.899 1.00 . A A . 43 GLU HA 1 1 10 7637 1 1 41 GLU HB2 H -0.414 -9.635 -2.113 1.00 . A A . 43 GLU HB2 1 1 10 7638 1 1 41 GLU HB3 H -0.411 -11.385 -1.891 1.00 . A A . 43 GLU HB3 1 1 10 7639 1 1 41 GLU HG2 H 1.989 -10.277 -0.749 1.00 . A A . 43 GLU HG2 1 1 10 7640 1 1 41 GLU HG3 H 0.585 -9.423 -0.105 1.00 . A A . 43 GLU HG3 1 1 10 7641 1 1 41 GLU N N 2.174 -9.477 -3.006 1.00 . A A . 43 GLU N 1 1 10 7642 1 1 41 GLU O O 0.053 -11.723 -4.820 1.00 . A A . 43 GLU O 1 1 10 7643 1 1 41 GLU OE1 O -0.567 -11.781 0.540 1.00 . A A . 43 GLU OE1 1 1 10 7644 1 1 41 GLU OE2 O 1.539 -12.167 0.770 1.00 . A A . 43 GLU OE2 1 1 10 7645 1 1 42 SER C C 0.751 -9.905 -7.498 1.00 . A A . 44 SER C 1 1 10 7646 1 1 42 SER CA C -0.249 -9.562 -6.390 1.00 . A A . 44 SER CA 1 1 10 7647 1 1 42 SER CB C -0.832 -8.172 -6.643 1.00 . A A . 44 SER CB 1 1 10 7648 1 1 42 SER H H 0.825 -8.751 -4.710 1.00 . A A . 44 SER H 1 1 10 7649 1 1 42 SER HA H -1.047 -10.291 -6.390 1.00 . A A . 44 SER HA 1 1 10 7650 1 1 42 SER HB2 H -1.081 -7.706 -5.706 1.00 . A A . 44 SER HB2 1 1 10 7651 1 1 42 SER HB3 H -0.101 -7.565 -7.160 1.00 . A A . 44 SER HB3 1 1 10 7652 1 1 42 SER HG H -1.957 -9.117 -7.920 1.00 . A A . 44 SER HG 1 1 10 7653 1 1 42 SER N N 0.439 -9.577 -5.070 1.00 . A A . 44 SER N 1 1 10 7654 1 1 42 SER O O 0.424 -9.893 -8.666 1.00 . A A . 44 SER O 1 1 10 7655 1 1 42 SER OG O -2.009 -8.291 -7.432 1.00 . A A . 44 SER OG 1 1 10 7656 1 1 43 ASN C C 3.481 -9.267 -8.848 1.00 . A A . 45 ASN C 1 1 10 7657 1 1 43 ASN CA C 2.990 -10.549 -8.174 1.00 . A A . 45 ASN CA 1 1 10 7658 1 1 43 ASN CB C 2.369 -11.469 -9.226 1.00 . A A . 45 ASN CB 1 1 10 7659 1 1 43 ASN CG C 3.277 -12.679 -9.447 1.00 . A A . 45 ASN CG 1 1 10 7660 1 1 43 ASN H H 2.215 -10.212 -6.193 1.00 . A A . 45 ASN H 1 1 10 7661 1 1 43 ASN HA H 3.822 -11.050 -7.705 1.00 . A A . 45 ASN HA 1 1 10 7662 1 1 43 ASN HB2 H 1.399 -11.802 -8.887 1.00 . A A . 45 ASN HB2 1 1 10 7663 1 1 43 ASN HB3 H 2.260 -10.929 -10.154 1.00 . A A . 45 ASN HB3 1 1 10 7664 1 1 43 ASN HD21 H 4.797 -11.594 -10.125 1.00 . A A . 45 ASN HD21 1 1 10 7665 1 1 43 ASN HD22 H 5.072 -13.270 -10.062 1.00 . A A . 45 ASN HD22 1 1 10 7666 1 1 43 ASN N N 1.969 -10.208 -7.141 1.00 . A A . 45 ASN N 1 1 10 7667 1 1 43 ASN ND2 N 4.482 -12.500 -9.917 1.00 . A A . 45 ASN ND2 1 1 10 7668 1 1 43 ASN O O 4.199 -9.304 -9.828 1.00 . A A . 45 ASN O 1 1 10 7669 1 1 43 ASN OD1 O 2.888 -13.800 -9.188 1.00 . A A . 45 ASN OD1 1 1 10 7670 1 1 44 GLY C C 2.448 -6.275 -9.834 1.00 . A A . 46 GLY C 1 1 10 7671 1 1 44 GLY CA C 3.554 -6.846 -8.942 1.00 . A A . 46 GLY CA 1 1 10 7672 1 1 44 GLY H H 2.527 -8.117 -7.539 1.00 . A A . 46 GLY H 1 1 10 7673 1 1 44 GLY HA2 H 3.787 -6.138 -8.159 1.00 . A A . 46 GLY HA2 1 1 10 7674 1 1 44 GLY HA3 H 4.436 -7.023 -9.539 1.00 . A A . 46 GLY HA3 1 1 10 7675 1 1 44 GLY N N 3.104 -8.128 -8.331 1.00 . A A . 46 GLY N 1 1 10 7676 1 1 44 GLY O O 2.617 -5.251 -10.465 1.00 . A A . 46 GLY O 1 1 10 7677 1 1 45 THR C C -0.598 -5.367 -9.962 1.00 . A A . 47 THR C 1 1 10 7678 1 1 45 THR CA C 0.208 -6.403 -10.749 1.00 . A A . 47 THR CA 1 1 10 7679 1 1 45 THR CB C -0.711 -7.553 -11.171 1.00 . A A . 47 THR CB 1 1 10 7680 1 1 45 THR CG2 C -0.655 -7.722 -12.691 1.00 . A A . 47 THR CG2 1 1 10 7681 1 1 45 THR H H 1.191 -7.748 -9.378 1.00 . A A . 47 THR H 1 1 10 7682 1 1 45 THR HA H 0.625 -5.935 -11.628 1.00 . A A . 47 THR HA 1 1 10 7683 1 1 45 THR HB H -1.725 -7.332 -10.876 1.00 . A A . 47 THR HB 1 1 10 7684 1 1 45 THR HG1 H -0.916 -9.441 -10.762 1.00 . A A . 47 THR HG1 1 1 10 7685 1 1 45 THR HG21 H 0.308 -7.399 -13.055 1.00 . A A . 47 THR HG21 1 1 10 7686 1 1 45 THR HG22 H -1.431 -7.125 -13.148 1.00 . A A . 47 THR HG22 1 1 10 7687 1 1 45 THR HG23 H -0.805 -8.762 -12.942 1.00 . A A . 47 THR HG23 1 1 10 7688 1 1 45 THR N N 1.314 -6.924 -9.894 1.00 . A A . 47 THR N 1 1 10 7689 1 1 45 THR O O -1.661 -4.950 -10.373 1.00 . A A . 47 THR O 1 1 10 7690 1 1 45 THR OG1 O -0.284 -8.753 -10.547 1.00 . A A . 47 THR OG1 1 1 10 7691 1 1 46 LEU C C -0.298 -2.544 -8.352 1.00 . A A . 48 LEU C 1 1 10 7692 1 1 46 LEU CA C -0.832 -3.935 -8.024 1.00 . A A . 48 LEU CA 1 1 10 7693 1 1 46 LEU CB C -0.626 -4.222 -6.537 1.00 . A A . 48 LEU CB 1 1 10 7694 1 1 46 LEU CD1 C -2.832 -5.380 -6.385 1.00 . A A . 48 LEU CD1 1 1 10 7695 1 1 46 LEU CD2 C -1.772 -4.432 -4.332 1.00 . A A . 48 LEU CD2 1 1 10 7696 1 1 46 LEU CG C -1.981 -4.234 -5.833 1.00 . A A . 48 LEU CG 1 1 10 7697 1 1 46 LEU H H 0.765 -5.294 -8.520 1.00 . A A . 48 LEU H 1 1 10 7698 1 1 46 LEU HA H -1.886 -3.977 -8.255 1.00 . A A . 48 LEU HA 1 1 10 7699 1 1 46 LEU HB2 H -0.148 -5.184 -6.417 1.00 . A A . 48 LEU HB2 1 1 10 7700 1 1 46 LEU HB3 H -0.003 -3.454 -6.102 1.00 . A A . 48 LEU HB3 1 1 10 7701 1 1 46 LEU HD11 H -3.034 -5.207 -7.431 1.00 . A A . 48 LEU HD11 1 1 10 7702 1 1 46 LEU HD12 H -3.763 -5.430 -5.841 1.00 . A A . 48 LEU HD12 1 1 10 7703 1 1 46 LEU HD13 H -2.298 -6.311 -6.270 1.00 . A A . 48 LEU HD13 1 1 10 7704 1 1 46 LEU HD21 H -0.791 -4.848 -4.155 1.00 . A A . 48 LEU HD21 1 1 10 7705 1 1 46 LEU HD22 H -2.523 -5.108 -3.950 1.00 . A A . 48 LEU HD22 1 1 10 7706 1 1 46 LEU HD23 H -1.855 -3.481 -3.829 1.00 . A A . 48 LEU HD23 1 1 10 7707 1 1 46 LEU HG H -2.485 -3.295 -6.007 1.00 . A A . 48 LEU HG 1 1 10 7708 1 1 46 LEU N N -0.097 -4.947 -8.833 1.00 . A A . 48 LEU N 1 1 10 7709 1 1 46 LEU O O 0.787 -2.392 -8.878 1.00 . A A . 48 LEU O 1 1 10 7710 1 1 47 THR C C -1.152 0.837 -7.333 1.00 . A A . 49 THR C 1 1 10 7711 1 1 47 THR CA C -0.582 -0.150 -8.354 1.00 . A A . 49 THR CA 1 1 10 7712 1 1 47 THR CB C -1.024 0.237 -9.757 1.00 . A A . 49 THR CB 1 1 10 7713 1 1 47 THR CG2 C 0.205 0.409 -10.651 1.00 . A A . 49 THR CG2 1 1 10 7714 1 1 47 THR H H -1.925 -1.666 -7.630 1.00 . A A . 49 THR H 1 1 10 7715 1 1 47 THR HA H 0.487 -0.117 -8.312 1.00 . A A . 49 THR HA 1 1 10 7716 1 1 47 THR HB H -1.556 1.161 -9.709 1.00 . A A . 49 THR HB 1 1 10 7717 1 1 47 THR HG1 H -1.350 -1.589 -10.345 1.00 . A A . 49 THR HG1 1 1 10 7718 1 1 47 THR HG21 H 0.288 1.443 -10.954 1.00 . A A . 49 THR HG21 1 1 10 7719 1 1 47 THR HG22 H 0.104 -0.215 -11.527 1.00 . A A . 49 THR HG22 1 1 10 7720 1 1 47 THR HG23 H 1.091 0.122 -10.105 1.00 . A A . 49 THR HG23 1 1 10 7721 1 1 47 THR N N -1.051 -1.525 -8.052 1.00 . A A . 49 THR N 1 1 10 7722 1 1 47 THR O O -1.567 0.463 -6.254 1.00 . A A . 49 THR O 1 1 10 7723 1 1 47 THR OG1 O -1.862 -0.780 -10.291 1.00 . A A . 49 THR OG1 1 1 10 7724 1 1 48 LEU C C -2.681 4.023 -7.470 1.00 . A A . 50 LEU C 1 1 10 7725 1 1 48 LEU CA C -1.691 3.123 -6.725 1.00 . A A . 50 LEU CA 1 1 10 7726 1 1 48 LEU CB C -0.526 3.968 -6.198 1.00 . A A . 50 LEU CB 1 1 10 7727 1 1 48 LEU CD1 C -1.985 4.996 -4.451 1.00 . A A . 50 LEU CD1 1 1 10 7728 1 1 48 LEU CD2 C 0.121 6.145 -5.159 1.00 . A A . 50 LEU CD2 1 1 10 7729 1 1 48 LEU CG C -1.055 5.286 -5.630 1.00 . A A . 50 LEU CG 1 1 10 7730 1 1 48 LEU H H -0.819 2.370 -8.536 1.00 . A A . 50 LEU H 1 1 10 7731 1 1 48 LEU HA H -2.191 2.639 -5.896 1.00 . A A . 50 LEU HA 1 1 10 7732 1 1 48 LEU HB2 H -0.011 3.424 -5.420 1.00 . A A . 50 LEU HB2 1 1 10 7733 1 1 48 LEU HB3 H 0.161 4.178 -7.004 1.00 . A A . 50 LEU HB3 1 1 10 7734 1 1 48 LEU HD11 H -2.446 5.915 -4.120 1.00 . A A . 50 LEU HD11 1 1 10 7735 1 1 48 LEU HD12 H -1.414 4.569 -3.640 1.00 . A A . 50 LEU HD12 1 1 10 7736 1 1 48 LEU HD13 H -2.750 4.300 -4.759 1.00 . A A . 50 LEU HD13 1 1 10 7737 1 1 48 LEU HD21 H 0.438 6.794 -5.961 1.00 . A A . 50 LEU HD21 1 1 10 7738 1 1 48 LEU HD22 H 0.941 5.503 -4.870 1.00 . A A . 50 LEU HD22 1 1 10 7739 1 1 48 LEU HD23 H -0.184 6.740 -4.311 1.00 . A A . 50 LEU HD23 1 1 10 7740 1 1 48 LEU HG H -1.605 5.815 -6.399 1.00 . A A . 50 LEU HG 1 1 10 7741 1 1 48 LEU N N -1.164 2.097 -7.665 1.00 . A A . 50 LEU N 1 1 10 7742 1 1 48 LEU O O -2.314 4.773 -8.351 1.00 . A A . 50 LEU O 1 1 10 7743 1 1 49 SER C C -4.948 6.197 -7.169 1.00 . A A . 51 SER C 1 1 10 7744 1 1 49 SER CA C -4.941 4.801 -7.801 1.00 . A A . 51 SER CA 1 1 10 7745 1 1 49 SER CB C -6.323 4.155 -7.663 1.00 . A A . 51 SER CB 1 1 10 7746 1 1 49 SER H H -4.203 3.343 -6.407 1.00 . A A . 51 SER H 1 1 10 7747 1 1 49 SER HA H -4.688 4.886 -8.846 1.00 . A A . 51 SER HA 1 1 10 7748 1 1 49 SER HB2 H -6.691 3.881 -8.638 1.00 . A A . 51 SER HB2 1 1 10 7749 1 1 49 SER HB3 H -6.242 3.265 -7.053 1.00 . A A . 51 SER HB3 1 1 10 7750 1 1 49 SER HG H -7.465 5.729 -7.724 1.00 . A A . 51 SER HG 1 1 10 7751 1 1 49 SER N N -3.932 3.953 -7.118 1.00 . A A . 51 SER N 1 1 10 7752 1 1 49 SER O O -5.093 7.191 -7.852 1.00 . A A . 51 SER O 1 1 10 7753 1 1 49 SER OG O -7.228 5.074 -7.064 1.00 . A A . 51 SER OG 1 1 10 7754 1 1 50 HIS C C -4.615 7.456 -3.700 1.00 . A A . 52 HIS C 1 1 10 7755 1 1 50 HIS CA C -4.766 7.623 -5.222 1.00 . A A . 52 HIS CA 1 1 10 7756 1 1 50 HIS CB C -6.059 8.389 -5.588 1.00 . A A . 52 HIS CB 1 1 10 7757 1 1 50 HIS CD2 C -7.272 9.063 -3.352 1.00 . A A . 52 HIS CD2 1 1 10 7758 1 1 50 HIS CE1 C -8.810 7.538 -3.352 1.00 . A A . 52 HIS CE1 1 1 10 7759 1 1 50 HIS CG C -7.082 8.308 -4.483 1.00 . A A . 52 HIS CG 1 1 10 7760 1 1 50 HIS H H -4.651 5.475 -5.336 1.00 . A A . 52 HIS H 1 1 10 7761 1 1 50 HIS HA H -3.915 8.178 -5.592 1.00 . A A . 52 HIS HA 1 1 10 7762 1 1 50 HIS HB2 H -5.817 9.426 -5.767 1.00 . A A . 52 HIS HB2 1 1 10 7763 1 1 50 HIS HB3 H -6.477 7.965 -6.489 1.00 . A A . 52 HIS HB3 1 1 10 7764 1 1 50 HIS HD1 H -8.217 6.643 -5.135 1.00 . A A . 52 HIS HD1 1 1 10 7765 1 1 50 HIS HD2 H -6.664 9.907 -3.060 1.00 . A A . 52 HIS HD2 1 1 10 7766 1 1 50 HIS HE1 H -9.655 6.928 -3.069 1.00 . A A . 52 HIS HE1 1 1 10 7767 1 1 50 HIS N N -4.779 6.285 -5.874 1.00 . A A . 52 HIS N 1 1 10 7768 1 1 50 HIS ND1 N -8.075 7.341 -4.463 1.00 . A A . 52 HIS ND1 1 1 10 7769 1 1 50 HIS NE2 N -8.362 8.575 -2.640 1.00 . A A . 52 HIS NE2 1 1 10 7770 1 1 50 HIS O O -5.513 7.013 -3.010 1.00 . A A . 52 HIS O 1 1 10 7771 1 1 51 PHE C C -4.467 8.206 -0.959 1.00 . A A . 53 PHE C 1 1 10 7772 1 1 51 PHE CA C -3.243 7.677 -1.713 1.00 . A A . 53 PHE CA 1 1 10 7773 1 1 51 PHE CB C -2.012 8.501 -1.327 1.00 . A A . 53 PHE CB 1 1 10 7774 1 1 51 PHE CD1 C -0.787 6.404 -2.072 1.00 . A A . 53 PHE CD1 1 1 10 7775 1 1 51 PHE CD2 C 0.489 8.241 -1.136 1.00 . A A . 53 PHE CD2 1 1 10 7776 1 1 51 PHE CE1 C 0.394 5.671 -2.242 1.00 . A A . 53 PHE CE1 1 1 10 7777 1 1 51 PHE CE2 C 1.669 7.508 -1.307 1.00 . A A . 53 PHE CE2 1 1 10 7778 1 1 51 PHE CG C -0.742 7.693 -1.518 1.00 . A A . 53 PHE CG 1 1 10 7779 1 1 51 PHE CZ C 1.621 6.224 -1.861 1.00 . A A . 53 PHE CZ 1 1 10 7780 1 1 51 PHE H H -2.764 8.148 -3.754 1.00 . A A . 53 PHE H 1 1 10 7781 1 1 51 PHE HA H -3.086 6.644 -1.454 1.00 . A A . 53 PHE HA 1 1 10 7782 1 1 51 PHE HB2 H -1.965 9.385 -1.948 1.00 . A A . 53 PHE HB2 1 1 10 7783 1 1 51 PHE HB3 H -2.093 8.798 -0.296 1.00 . A A . 53 PHE HB3 1 1 10 7784 1 1 51 PHE HD1 H -1.731 5.976 -2.369 1.00 . A A . 53 PHE HD1 1 1 10 7785 1 1 51 PHE HD2 H 0.529 9.233 -0.709 1.00 . A A . 53 PHE HD2 1 1 10 7786 1 1 51 PHE HE1 H 0.357 4.680 -2.669 1.00 . A A . 53 PHE HE1 1 1 10 7787 1 1 51 PHE HE2 H 2.617 7.933 -1.012 1.00 . A A . 53 PHE HE2 1 1 10 7788 1 1 51 PHE HZ H 2.532 5.657 -1.992 1.00 . A A . 53 PHE HZ 1 1 10 7789 1 1 51 PHE N N -3.474 7.804 -3.179 1.00 . A A . 53 PHE N 1 1 10 7790 1 1 51 PHE O O -4.604 9.392 -0.728 1.00 . A A . 53 PHE O 1 1 10 7791 1 1 52 GLY C C -7.636 6.681 0.040 1.00 . A A . 54 GLY C 1 1 10 7792 1 1 52 GLY CA C -6.572 7.769 0.161 1.00 . A A . 54 GLY CA 1 1 10 7793 1 1 52 GLY H H -5.223 6.384 -0.779 1.00 . A A . 54 GLY H 1 1 10 7794 1 1 52 GLY HA2 H -6.327 7.926 1.202 1.00 . A A . 54 GLY HA2 1 1 10 7795 1 1 52 GLY HA3 H -6.949 8.686 -0.267 1.00 . A A . 54 GLY HA3 1 1 10 7796 1 1 52 GLY N N -5.355 7.333 -0.578 1.00 . A A . 54 GLY N 1 1 10 7797 1 1 52 GLY O O -7.731 6.011 -0.965 1.00 . A A . 54 GLY O 1 1 10 7798 1 1 53 LYS C C -10.309 5.626 -0.294 1.00 . A A . 55 LYS C 1 1 10 7799 1 1 53 LYS CA C -9.476 5.427 0.972 1.00 . A A . 55 LYS CA 1 1 10 7800 1 1 53 LYS CB C -10.380 5.510 2.204 1.00 . A A . 55 LYS CB 1 1 10 7801 1 1 53 LYS CD C -12.153 6.878 3.313 1.00 . A A . 55 LYS CD 1 1 10 7802 1 1 53 LYS CE C -12.689 8.298 3.504 1.00 . A A . 55 LYS CE 1 1 10 7803 1 1 53 LYS CG C -11.043 6.887 2.258 1.00 . A A . 55 LYS CG 1 1 10 7804 1 1 53 LYS H H -8.341 7.031 1.861 1.00 . A A . 55 LYS H 1 1 10 7805 1 1 53 LYS HA H -8.998 4.456 0.936 1.00 . A A . 55 LYS HA 1 1 10 7806 1 1 53 LYS HB2 H -11.142 4.746 2.142 1.00 . A A . 55 LYS HB2 1 1 10 7807 1 1 53 LYS HB3 H -9.790 5.362 3.095 1.00 . A A . 55 LYS HB3 1 1 10 7808 1 1 53 LYS HD2 H -12.954 6.232 2.984 1.00 . A A . 55 LYS HD2 1 1 10 7809 1 1 53 LYS HD3 H -11.757 6.515 4.249 1.00 . A A . 55 LYS HD3 1 1 10 7810 1 1 53 LYS HE2 H -11.946 8.898 4.009 1.00 . A A . 55 LYS HE2 1 1 10 7811 1 1 53 LYS HE3 H -12.910 8.732 2.540 1.00 . A A . 55 LYS HE3 1 1 10 7812 1 1 53 LYS HG2 H -10.305 7.634 2.518 1.00 . A A . 55 LYS HG2 1 1 10 7813 1 1 53 LYS HG3 H -11.469 7.122 1.294 1.00 . A A . 55 LYS HG3 1 1 10 7814 1 1 53 LYS HZ1 H -14.527 7.460 4.009 1.00 . A A . 55 LYS HZ1 1 1 10 7815 1 1 53 LYS HZ2 H -14.454 9.146 4.213 1.00 . A A . 55 LYS HZ2 1 1 10 7816 1 1 53 LYS HZ3 H -13.683 8.118 5.325 1.00 . A A . 55 LYS HZ3 1 1 10 7817 1 1 53 LYS N N -8.432 6.486 1.051 1.00 . A A . 55 LYS N 1 1 10 7818 1 1 53 LYS NZ N -13.932 8.252 4.325 1.00 . A A . 55 LYS NZ 1 1 10 7819 1 1 53 LYS O O -10.623 6.736 -0.675 1.00 . A A . 55 LYS O 1 1 10 7820 1 1 54 CYS C C -12.920 5.053 -1.826 1.00 . A A . 56 CYS C 1 1 10 7821 1 1 54 CYS CA C -11.482 4.682 -2.192 1.00 . A A . 56 CYS CA 1 1 10 7822 1 1 54 CYS CB C -11.476 3.349 -2.943 1.00 . A A . 56 CYS CB 1 1 10 7823 1 1 54 CYS H H -10.406 3.668 -0.623 1.00 . A A . 56 CYS H 1 1 10 7824 1 1 54 CYS HA H -11.061 5.451 -2.821 1.00 . A A . 56 CYS HA 1 1 10 7825 1 1 54 CYS HB2 H -12.194 2.678 -2.494 1.00 . A A . 56 CYS HB2 1 1 10 7826 1 1 54 CYS HB3 H -11.735 3.518 -3.977 1.00 . A A . 56 CYS HB3 1 1 10 7827 1 1 54 CYS N N -10.670 4.556 -0.949 1.00 . A A . 56 CYS N 1 1 10 7828 1 1 54 CYS O O -13.488 5.884 -2.516 1.00 . A A . 56 CYS O 1 1 10 7829 1 1 54 CYS OXT O -13.429 4.501 -0.866 1.00 . A A . 56 CYS OXT 1 1 10 7830 1 1 54 CYS SG S -9.825 2.611 -2.850 1.00 . A A . 56 CYS SG 1 1 11 7831 1 1 1 ALA C C 3.784 2.712 -1.425 1.00 . A A . 3 ALA C 1 1 11 7832 1 1 1 ALA CA C 3.823 3.039 0.068 1.00 . A A . 3 ALA CA 1 1 11 7833 1 1 1 ALA CB C 3.589 4.537 0.269 1.00 . A A . 3 ALA CB 1 1 11 7834 1 1 1 ALA H1 H 5.135 1.680 0.944 1.00 . A A . 3 ALA H1 1 1 11 7835 1 1 1 ALA H2 H 5.388 3.291 1.418 1.00 . A A . 3 ALA H2 1 1 11 7836 1 1 1 ALA H3 H 5.880 2.770 -0.121 1.00 . A A . 3 ALA H3 1 1 11 7837 1 1 1 ALA HA H 3.053 2.482 0.579 1.00 . A A . 3 ALA HA 1 1 11 7838 1 1 1 ALA HB1 H 3.976 4.835 1.232 1.00 . A A . 3 ALA HB1 1 1 11 7839 1 1 1 ALA HB2 H 2.531 4.746 0.225 1.00 . A A . 3 ALA HB2 1 1 11 7840 1 1 1 ALA HB3 H 4.098 5.089 -0.509 1.00 . A A . 3 ALA HB3 1 1 11 7841 1 1 1 ALA N N 5.157 2.667 0.619 1.00 . A A . 3 ALA N 1 1 11 7842 1 1 1 ALA O O 4.585 1.947 -1.923 1.00 . A A . 3 ALA O 1 1 11 7843 1 1 2 VAL C C 3.662 4.023 -4.355 1.00 . A A . 4 VAL C 1 1 11 7844 1 1 2 VAL CA C 2.790 3.013 -3.610 1.00 . A A . 4 VAL CA 1 1 11 7845 1 1 2 VAL CB C 1.344 3.136 -4.090 1.00 . A A . 4 VAL CB 1 1 11 7846 1 1 2 VAL CG1 C 0.888 4.590 -3.966 1.00 . A A . 4 VAL CG1 1 1 11 7847 1 1 2 VAL CG2 C 1.260 2.697 -5.554 1.00 . A A . 4 VAL CG2 1 1 11 7848 1 1 2 VAL H H 2.230 3.911 -1.732 1.00 . A A . 4 VAL H 1 1 11 7849 1 1 2 VAL HA H 3.151 2.013 -3.804 1.00 . A A . 4 VAL HA 1 1 11 7850 1 1 2 VAL HB H 0.708 2.509 -3.485 1.00 . A A . 4 VAL HB 1 1 11 7851 1 1 2 VAL HG11 H 0.882 5.049 -4.943 1.00 . A A . 4 VAL HG11 1 1 11 7852 1 1 2 VAL HG12 H 1.568 5.126 -3.320 1.00 . A A . 4 VAL HG12 1 1 11 7853 1 1 2 VAL HG13 H -0.107 4.622 -3.547 1.00 . A A . 4 VAL HG13 1 1 11 7854 1 1 2 VAL HG21 H 2.036 1.976 -5.759 1.00 . A A . 4 VAL HG21 1 1 11 7855 1 1 2 VAL HG22 H 1.389 3.556 -6.196 1.00 . A A . 4 VAL HG22 1 1 11 7856 1 1 2 VAL HG23 H 0.296 2.250 -5.743 1.00 . A A . 4 VAL HG23 1 1 11 7857 1 1 2 VAL N N 2.865 3.291 -2.148 1.00 . A A . 4 VAL N 1 1 11 7858 1 1 2 VAL O O 4.123 4.992 -3.785 1.00 . A A . 4 VAL O 1 1 11 7859 1 1 3 SER C C 6.044 4.983 -5.595 1.00 . A A . 5 SER C 1 1 11 7860 1 1 3 SER CA C 4.752 4.760 -6.379 1.00 . A A . 5 SER CA 1 1 11 7861 1 1 3 SER CB C 4.007 6.085 -6.544 1.00 . A A . 5 SER CB 1 1 11 7862 1 1 3 SER H H 3.527 3.018 -6.063 1.00 . A A . 5 SER H 1 1 11 7863 1 1 3 SER HA H 4.981 4.346 -7.351 1.00 . A A . 5 SER HA 1 1 11 7864 1 1 3 SER HB2 H 3.138 5.938 -7.163 1.00 . A A . 5 SER HB2 1 1 11 7865 1 1 3 SER HB3 H 3.696 6.445 -5.571 1.00 . A A . 5 SER HB3 1 1 11 7866 1 1 3 SER HG H 4.321 7.681 -7.609 1.00 . A A . 5 SER HG 1 1 11 7867 1 1 3 SER N N 3.900 3.806 -5.619 1.00 . A A . 5 SER N 1 1 11 7868 1 1 3 SER O O 6.706 5.992 -5.734 1.00 . A A . 5 SER O 1 1 11 7869 1 1 3 SER OG O 4.868 7.033 -7.161 1.00 . A A . 5 SER OG 1 1 11 7870 1 1 4 VAL C C 8.396 2.840 -3.983 1.00 . A A . 6 VAL C 1 1 11 7871 1 1 4 VAL CA C 7.639 4.175 -3.956 1.00 . A A . 6 VAL CA 1 1 11 7872 1 1 4 VAL CB C 7.253 4.543 -2.515 1.00 . A A . 6 VAL CB 1 1 11 7873 1 1 4 VAL CG1 C 8.364 4.137 -1.544 1.00 . A A . 6 VAL CG1 1 1 11 7874 1 1 4 VAL CG2 C 7.033 6.054 -2.425 1.00 . A A . 6 VAL CG2 1 1 11 7875 1 1 4 VAL H H 5.842 3.241 -4.673 1.00 . A A . 6 VAL H 1 1 11 7876 1 1 4 VAL HA H 8.262 4.952 -4.375 1.00 . A A . 6 VAL HA 1 1 11 7877 1 1 4 VAL HB H 6.340 4.032 -2.248 1.00 . A A . 6 VAL HB 1 1 11 7878 1 1 4 VAL HG11 H 8.070 4.386 -0.536 1.00 . A A . 6 VAL HG11 1 1 11 7879 1 1 4 VAL HG12 H 9.273 4.667 -1.794 1.00 . A A . 6 VAL HG12 1 1 11 7880 1 1 4 VAL HG13 H 8.537 3.073 -1.618 1.00 . A A . 6 VAL HG13 1 1 11 7881 1 1 4 VAL HG21 H 6.020 6.288 -2.716 1.00 . A A . 6 VAL HG21 1 1 11 7882 1 1 4 VAL HG22 H 7.724 6.560 -3.082 1.00 . A A . 6 VAL HG22 1 1 11 7883 1 1 4 VAL HG23 H 7.198 6.381 -1.408 1.00 . A A . 6 VAL HG23 1 1 11 7884 1 1 4 VAL N N 6.399 4.041 -4.766 1.00 . A A . 6 VAL N 1 1 11 7885 1 1 4 VAL O O 7.879 1.833 -4.421 1.00 . A A . 6 VAL O 1 1 11 7886 1 1 5 ASP C C 9.907 0.647 -2.402 1.00 . A A . 7 ASP C 1 1 11 7887 1 1 5 ASP CA C 10.402 1.565 -3.522 1.00 . A A . 7 ASP CA 1 1 11 7888 1 1 5 ASP CB C 11.880 1.891 -3.296 1.00 . A A . 7 ASP CB 1 1 11 7889 1 1 5 ASP CG C 12.744 1.000 -4.191 1.00 . A A . 7 ASP CG 1 1 11 7890 1 1 5 ASP H H 10.015 3.654 -3.172 1.00 . A A . 7 ASP H 1 1 11 7891 1 1 5 ASP HA H 10.285 1.069 -4.474 1.00 . A A . 7 ASP HA 1 1 11 7892 1 1 5 ASP HB2 H 12.061 2.928 -3.536 1.00 . A A . 7 ASP HB2 1 1 11 7893 1 1 5 ASP HB3 H 12.133 1.712 -2.262 1.00 . A A . 7 ASP HB3 1 1 11 7894 1 1 5 ASP N N 9.615 2.830 -3.520 1.00 . A A . 7 ASP N 1 1 11 7895 1 1 5 ASP O O 10.202 0.854 -1.242 1.00 . A A . 7 ASP O 1 1 11 7896 1 1 5 ASP OD1 O 12.476 -0.187 -4.248 1.00 . A A . 7 ASP OD1 1 1 11 7897 1 1 5 ASP OD2 O 13.659 1.523 -4.807 1.00 . A A . 7 ASP OD2 1 1 11 7898 1 1 6 CYS C C 9.704 -2.404 -1.451 1.00 . A A . 8 CYS C 1 1 11 7899 1 1 6 CYS CA C 8.661 -1.308 -1.691 1.00 . A A . 8 CYS CA 1 1 11 7900 1 1 6 CYS CB C 7.351 -1.955 -2.151 1.00 . A A . 8 CYS CB 1 1 11 7901 1 1 6 CYS H H 8.941 -0.528 -3.682 1.00 . A A . 8 CYS H 1 1 11 7902 1 1 6 CYS HA H 8.492 -0.764 -0.774 1.00 . A A . 8 CYS HA 1 1 11 7903 1 1 6 CYS HB2 H 7.489 -2.386 -3.131 1.00 . A A . 8 CYS HB2 1 1 11 7904 1 1 6 CYS HB3 H 7.072 -2.731 -1.455 1.00 . A A . 8 CYS HB3 1 1 11 7905 1 1 6 CYS N N 9.163 -0.374 -2.740 1.00 . A A . 8 CYS N 1 1 11 7906 1 1 6 CYS O O 9.393 -3.470 -0.959 1.00 . A A . 8 CYS O 1 1 11 7907 1 1 6 CYS SG S 6.036 -0.710 -2.225 1.00 . A A . 8 CYS SG 1 1 11 7908 1 1 7 SER C C 12.113 -3.521 -0.106 1.00 . A A . 9 SER C 1 1 11 7909 1 1 7 SER CA C 11.998 -3.179 -1.594 1.00 . A A . 9 SER CA 1 1 11 7910 1 1 7 SER CB C 13.338 -2.639 -2.098 1.00 . A A . 9 SER CB 1 1 11 7911 1 1 7 SER H H 11.168 -1.287 -2.195 1.00 . A A . 9 SER H 1 1 11 7912 1 1 7 SER HA H 11.743 -4.073 -2.146 1.00 . A A . 9 SER HA 1 1 11 7913 1 1 7 SER HB2 H 14.114 -3.360 -1.905 1.00 . A A . 9 SER HB2 1 1 11 7914 1 1 7 SER HB3 H 13.272 -2.459 -3.163 1.00 . A A . 9 SER HB3 1 1 11 7915 1 1 7 SER HG H 14.223 -1.641 -0.683 1.00 . A A . 9 SER HG 1 1 11 7916 1 1 7 SER N N 10.939 -2.152 -1.798 1.00 . A A . 9 SER N 1 1 11 7917 1 1 7 SER O O 12.750 -4.484 0.269 1.00 . A A . 9 SER O 1 1 11 7918 1 1 7 SER OG O 13.643 -1.429 -1.417 1.00 . A A . 9 SER OG 1 1 11 7919 1 1 8 GLU C C 10.464 -4.023 2.585 1.00 . A A . 10 GLU C 1 1 11 7920 1 1 8 GLU CA C 11.572 -3.037 2.205 1.00 . A A . 10 GLU CA 1 1 11 7921 1 1 8 GLU CB C 11.391 -1.739 2.998 1.00 . A A . 10 GLU CB 1 1 11 7922 1 1 8 GLU CD C 12.500 -0.360 4.763 1.00 . A A . 10 GLU CD 1 1 11 7923 1 1 8 GLU CG C 12.735 -1.309 3.586 1.00 . A A . 10 GLU CG 1 1 11 7924 1 1 8 GLU H H 10.986 -1.972 0.427 1.00 . A A . 10 GLU H 1 1 11 7925 1 1 8 GLU HA H 12.534 -3.470 2.436 1.00 . A A . 10 GLU HA 1 1 11 7926 1 1 8 GLU HB2 H 11.020 -0.965 2.343 1.00 . A A . 10 GLU HB2 1 1 11 7927 1 1 8 GLU HB3 H 10.686 -1.901 3.799 1.00 . A A . 10 GLU HB3 1 1 11 7928 1 1 8 GLU HG2 H 13.273 -2.181 3.930 1.00 . A A . 10 GLU HG2 1 1 11 7929 1 1 8 GLU HG3 H 13.315 -0.803 2.828 1.00 . A A . 10 GLU HG3 1 1 11 7930 1 1 8 GLU N N 11.497 -2.744 0.746 1.00 . A A . 10 GLU N 1 1 11 7931 1 1 8 GLU O O 9.892 -3.948 3.655 1.00 . A A . 10 GLU O 1 1 11 7932 1 1 8 GLU OE1 O 11.360 0.019 4.976 1.00 . A A . 10 GLU OE1 1 1 11 7933 1 1 8 GLU OE2 O 13.465 -0.026 5.431 1.00 . A A . 10 GLU OE2 1 1 11 7934 1 1 9 TYR C C 9.526 -7.327 1.559 1.00 . A A . 11 TYR C 1 1 11 7935 1 1 9 TYR CA C 9.083 -5.936 2.021 1.00 . A A . 11 TYR CA 1 1 11 7936 1 1 9 TYR CB C 7.803 -5.534 1.287 1.00 . A A . 11 TYR CB 1 1 11 7937 1 1 9 TYR CD1 C 7.783 -3.082 1.850 1.00 . A A . 11 TYR CD1 1 1 11 7938 1 1 9 TYR CD2 C 6.037 -4.500 2.759 1.00 . A A . 11 TYR CD2 1 1 11 7939 1 1 9 TYR CE1 C 7.221 -1.975 2.494 1.00 . A A . 11 TYR CE1 1 1 11 7940 1 1 9 TYR CE2 C 5.475 -3.390 3.406 1.00 . A A . 11 TYR CE2 1 1 11 7941 1 1 9 TYR CG C 7.191 -4.343 1.982 1.00 . A A . 11 TYR CG 1 1 11 7942 1 1 9 TYR CZ C 6.068 -2.128 3.272 1.00 . A A . 11 TYR CZ 1 1 11 7943 1 1 9 TYR H H 10.625 -4.991 0.858 1.00 . A A . 11 TYR H 1 1 11 7944 1 1 9 TYR HA H 8.900 -5.950 3.085 1.00 . A A . 11 TYR HA 1 1 11 7945 1 1 9 TYR HB2 H 8.040 -5.273 0.267 1.00 . A A . 11 TYR HB2 1 1 11 7946 1 1 9 TYR HB3 H 7.105 -6.355 1.297 1.00 . A A . 11 TYR HB3 1 1 11 7947 1 1 9 TYR HD1 H 8.672 -2.964 1.251 1.00 . A A . 11 TYR HD1 1 1 11 7948 1 1 9 TYR HD2 H 5.580 -5.476 2.861 1.00 . A A . 11 TYR HD2 1 1 11 7949 1 1 9 TYR HE1 H 7.678 -1.003 2.391 1.00 . A A . 11 TYR HE1 1 1 11 7950 1 1 9 TYR HE2 H 4.584 -3.509 4.007 1.00 . A A . 11 TYR HE2 1 1 11 7951 1 1 9 TYR HH H 5.518 -0.300 3.286 1.00 . A A . 11 TYR HH 1 1 11 7952 1 1 9 TYR N N 10.154 -4.948 1.715 1.00 . A A . 11 TYR N 1 1 11 7953 1 1 9 TYR O O 10.414 -7.451 0.738 1.00 . A A . 11 TYR O 1 1 11 7954 1 1 9 TYR OH O 5.517 -1.034 3.906 1.00 . A A . 11 TYR OH 1 1 11 7955 1 1 10 PRO C C 8.403 -7.851 4.476 1.00 . A A . 12 PRO C 1 1 11 7956 1 1 10 PRO CA C 7.818 -8.170 3.100 1.00 . A A . 12 PRO CA 1 1 11 7957 1 1 10 PRO CB C 7.123 -9.532 3.107 1.00 . A A . 12 PRO CB 1 1 11 7958 1 1 10 PRO CD C 9.200 -9.739 1.772 1.00 . A A . 12 PRO CD 1 1 11 7959 1 1 10 PRO CG C 8.156 -10.550 2.563 1.00 . A A . 12 PRO CG 1 1 11 7960 1 1 10 PRO HA H 7.126 -7.406 2.794 1.00 . A A . 12 PRO HA 1 1 11 7961 1 1 10 PRO HB2 H 6.835 -9.794 4.115 1.00 . A A . 12 PRO HB2 1 1 11 7962 1 1 10 PRO HB3 H 6.258 -9.512 2.463 1.00 . A A . 12 PRO HB3 1 1 11 7963 1 1 10 PRO HD2 H 10.200 -9.996 2.093 1.00 . A A . 12 PRO HD2 1 1 11 7964 1 1 10 PRO HD3 H 9.088 -9.903 0.712 1.00 . A A . 12 PRO HD3 1 1 11 7965 1 1 10 PRO HG2 H 8.630 -11.071 3.384 1.00 . A A . 12 PRO HG2 1 1 11 7966 1 1 10 PRO HG3 H 7.671 -11.255 1.906 1.00 . A A . 12 PRO HG3 1 1 11 7967 1 1 10 PRO N N 8.894 -8.334 2.105 1.00 . A A . 12 PRO N 1 1 11 7968 1 1 10 PRO O O 9.521 -8.214 4.788 1.00 . A A . 12 PRO O 1 1 11 7969 1 1 11 LYS C C 7.526 -7.759 7.696 1.00 . A A . 13 LYS C 1 1 11 7970 1 1 11 LYS CA C 8.168 -6.829 6.655 1.00 . A A . 13 LYS CA 1 1 11 7971 1 1 11 LYS CB C 7.810 -5.376 6.970 1.00 . A A . 13 LYS CB 1 1 11 7972 1 1 11 LYS CD C 8.142 -3.008 6.242 1.00 . A A . 13 LYS CD 1 1 11 7973 1 1 11 LYS CE C 9.481 -2.411 6.675 1.00 . A A . 13 LYS CE 1 1 11 7974 1 1 11 LYS CG C 8.343 -4.473 5.856 1.00 . A A . 13 LYS CG 1 1 11 7975 1 1 11 LYS H H 6.758 -6.888 5.027 1.00 . A A . 13 LYS H 1 1 11 7976 1 1 11 LYS HA H 9.239 -6.946 6.670 1.00 . A A . 13 LYS HA 1 1 11 7977 1 1 11 LYS HB2 H 6.735 -5.275 7.036 1.00 . A A . 13 LYS HB2 1 1 11 7978 1 1 11 LYS HB3 H 8.257 -5.088 7.910 1.00 . A A . 13 LYS HB3 1 1 11 7979 1 1 11 LYS HD2 H 7.760 -2.460 5.393 1.00 . A A . 13 LYS HD2 1 1 11 7980 1 1 11 LYS HD3 H 7.441 -2.943 7.060 1.00 . A A . 13 LYS HD3 1 1 11 7981 1 1 11 LYS HE2 H 10.155 -3.205 6.962 1.00 . A A . 13 LYS HE2 1 1 11 7982 1 1 11 LYS HE3 H 9.909 -1.855 5.853 1.00 . A A . 13 LYS HE3 1 1 11 7983 1 1 11 LYS HG2 H 9.395 -4.668 5.710 1.00 . A A . 13 LYS HG2 1 1 11 7984 1 1 11 LYS HG3 H 7.809 -4.678 4.941 1.00 . A A . 13 LYS HG3 1 1 11 7985 1 1 11 LYS HZ1 H 10.183 -1.157 8.183 1.00 . A A . 13 LYS HZ1 1 1 11 7986 1 1 11 LYS HZ2 H 8.772 -2.012 8.590 1.00 . A A . 13 LYS HZ2 1 1 11 7987 1 1 11 LYS HZ3 H 8.690 -0.687 7.531 1.00 . A A . 13 LYS HZ3 1 1 11 7988 1 1 11 LYS N N 7.656 -7.173 5.300 1.00 . A A . 13 LYS N 1 1 11 7989 1 1 11 LYS NZ N 9.265 -1.498 7.832 1.00 . A A . 13 LYS NZ 1 1 11 7990 1 1 11 LYS O O 6.327 -7.959 7.684 1.00 . A A . 13 LYS O 1 1 11 7991 1 1 12 PRO C C 7.248 -8.438 10.770 1.00 . A A . 14 PRO C 1 1 11 7992 1 1 12 PRO CA C 7.880 -9.224 9.619 1.00 . A A . 14 PRO CA 1 1 11 7993 1 1 12 PRO CB C 9.161 -9.924 10.078 1.00 . A A . 14 PRO CB 1 1 11 7994 1 1 12 PRO CD C 9.801 -8.060 8.577 1.00 . A A . 14 PRO CD 1 1 11 7995 1 1 12 PRO CG C 10.331 -8.992 9.685 1.00 . A A . 14 PRO CG 1 1 11 7996 1 1 12 PRO HA H 7.186 -9.947 9.221 1.00 . A A . 14 PRO HA 1 1 11 7997 1 1 12 PRO HB2 H 9.140 -10.068 11.150 1.00 . A A . 14 PRO HB2 1 1 11 7998 1 1 12 PRO HB3 H 9.268 -10.873 9.577 1.00 . A A . 14 PRO HB3 1 1 11 7999 1 1 12 PRO HD2 H 10.010 -7.027 8.821 1.00 . A A . 14 PRO HD2 1 1 11 8000 1 1 12 PRO HD3 H 10.231 -8.321 7.625 1.00 . A A . 14 PRO HD3 1 1 11 8001 1 1 12 PRO HG2 H 10.644 -8.412 10.542 1.00 . A A . 14 PRO HG2 1 1 11 8002 1 1 12 PRO HG3 H 11.158 -9.573 9.307 1.00 . A A . 14 PRO HG3 1 1 11 8003 1 1 12 PRO N N 8.344 -8.306 8.563 1.00 . A A . 14 PRO N 1 1 11 8004 1 1 12 PRO O O 6.861 -8.993 11.780 1.00 . A A . 14 PRO O 1 1 11 8005 1 1 13 ALA C C 6.156 -4.954 11.127 1.00 . A A . 15 ALA C 1 1 11 8006 1 1 13 ALA CA C 6.535 -6.318 11.701 1.00 . A A . 15 ALA CA 1 1 11 8007 1 1 13 ALA CB C 7.547 -6.131 12.834 1.00 . A A . 15 ALA CB 1 1 11 8008 1 1 13 ALA H H 7.460 -6.721 9.800 1.00 . A A . 15 ALA H 1 1 11 8009 1 1 13 ALA HA H 5.652 -6.809 12.082 1.00 . A A . 15 ALA HA 1 1 11 8010 1 1 13 ALA HB1 H 7.855 -7.097 13.203 1.00 . A A . 15 ALA HB1 1 1 11 8011 1 1 13 ALA HB2 H 7.089 -5.567 13.634 1.00 . A A . 15 ALA HB2 1 1 11 8012 1 1 13 ALA HB3 H 8.407 -5.596 12.462 1.00 . A A . 15 ALA HB3 1 1 11 8013 1 1 13 ALA N N 7.141 -7.147 10.623 1.00 . A A . 15 ALA N 1 1 11 8014 1 1 13 ALA O O 6.890 -4.372 10.353 1.00 . A A . 15 ALA O 1 1 11 8015 1 1 14 CYS C C 4.099 -2.228 12.097 1.00 . A A . 16 CYS C 1 1 11 8016 1 1 14 CYS CA C 4.600 -3.115 10.956 1.00 . A A . 16 CYS CA 1 1 11 8017 1 1 14 CYS CB C 3.489 -3.308 9.922 1.00 . A A . 16 CYS CB 1 1 11 8018 1 1 14 CYS H H 4.433 -4.923 12.115 1.00 . A A . 16 CYS H 1 1 11 8019 1 1 14 CYS HA H 5.448 -2.641 10.482 1.00 . A A . 16 CYS HA 1 1 11 8020 1 1 14 CYS HB2 H 2.890 -4.168 10.187 1.00 . A A . 16 CYS HB2 1 1 11 8021 1 1 14 CYS HB3 H 2.861 -2.428 9.892 1.00 . A A . 16 CYS HB3 1 1 11 8022 1 1 14 CYS N N 5.016 -4.439 11.492 1.00 . A A . 16 CYS N 1 1 11 8023 1 1 14 CYS O O 4.171 -2.589 13.255 1.00 . A A . 16 CYS O 1 1 11 8024 1 1 14 CYS SG S 4.235 -3.570 8.298 1.00 . A A . 16 CYS SG 1 1 11 8025 1 1 15 THR C C 1.647 0.208 12.579 1.00 . A A . 17 THR C 1 1 11 8026 1 1 15 THR CA C 3.111 -0.146 12.841 1.00 . A A . 17 THR CA 1 1 11 8027 1 1 15 THR CB C 3.949 1.132 12.822 1.00 . A A . 17 THR CB 1 1 11 8028 1 1 15 THR CG2 C 4.809 1.206 14.084 1.00 . A A . 17 THR CG2 1 1 11 8029 1 1 15 THR H H 3.564 -0.789 10.838 1.00 . A A . 17 THR H 1 1 11 8030 1 1 15 THR HA H 3.203 -0.623 13.805 1.00 . A A . 17 THR HA 1 1 11 8031 1 1 15 THR HB H 3.296 1.990 12.784 1.00 . A A . 17 THR HB 1 1 11 8032 1 1 15 THR HG1 H 4.250 1.343 10.913 1.00 . A A . 17 THR HG1 1 1 11 8033 1 1 15 THR HG21 H 5.846 1.068 13.821 1.00 . A A . 17 THR HG21 1 1 11 8034 1 1 15 THR HG22 H 4.506 0.432 14.773 1.00 . A A . 17 THR HG22 1 1 11 8035 1 1 15 THR HG23 H 4.682 2.173 14.549 1.00 . A A . 17 THR HG23 1 1 11 8036 1 1 15 THR N N 3.603 -1.064 11.778 1.00 . A A . 17 THR N 1 1 11 8037 1 1 15 THR O O 1.073 -0.171 11.578 1.00 . A A . 17 THR O 1 1 11 8038 1 1 15 THR OG1 O 4.789 1.126 11.676 1.00 . A A . 17 THR OG1 1 1 11 8039 1 1 16 MET C C -0.425 2.647 12.476 1.00 . A A . 18 MET C 1 1 11 8040 1 1 16 MET CA C -0.379 1.342 13.275 1.00 . A A . 18 MET CA 1 1 11 8041 1 1 16 MET CB C -1.041 1.552 14.641 1.00 . A A . 18 MET CB 1 1 11 8042 1 1 16 MET CE C -4.287 2.461 16.403 1.00 . A A . 18 MET CE 1 1 11 8043 1 1 16 MET CG C -2.558 1.658 14.467 1.00 . A A . 18 MET CG 1 1 11 8044 1 1 16 MET H H 1.528 1.247 14.267 1.00 . A A . 18 MET H 1 1 11 8045 1 1 16 MET HA H -0.902 0.566 12.734 1.00 . A A . 18 MET HA 1 1 11 8046 1 1 16 MET HB2 H -0.809 0.716 15.283 1.00 . A A . 18 MET HB2 1 1 11 8047 1 1 16 MET HB3 H -0.667 2.462 15.086 1.00 . A A . 18 MET HB3 1 1 11 8048 1 1 16 MET HE1 H -4.608 3.214 17.109 1.00 . A A . 18 MET HE1 1 1 11 8049 1 1 16 MET HE2 H -3.793 1.662 16.932 1.00 . A A . 18 MET HE2 1 1 11 8050 1 1 16 MET HE3 H -5.145 2.065 15.877 1.00 . A A . 18 MET HE3 1 1 11 8051 1 1 16 MET HG2 H -2.801 1.650 13.415 1.00 . A A . 18 MET HG2 1 1 11 8052 1 1 16 MET HG3 H -3.034 0.820 14.954 1.00 . A A . 18 MET HG3 1 1 11 8053 1 1 16 MET N N 1.042 0.946 13.472 1.00 . A A . 18 MET N 1 1 11 8054 1 1 16 MET O O -1.409 3.360 12.484 1.00 . A A . 18 MET O 1 1 11 8055 1 1 16 MET SD S -3.142 3.201 15.212 1.00 . A A . 18 MET SD 1 1 11 8056 1 1 17 GLU C C -0.657 4.393 10.253 1.00 . A A . 19 GLU C 1 1 11 8057 1 1 17 GLU CA C 0.674 4.211 10.980 1.00 . A A . 19 GLU CA 1 1 11 8058 1 1 17 GLU CB C 1.803 4.114 9.952 1.00 . A A . 19 GLU CB 1 1 11 8059 1 1 17 GLU CD C 3.044 6.259 10.252 1.00 . A A . 19 GLU CD 1 1 11 8060 1 1 17 GLU CG C 2.072 5.494 9.352 1.00 . A A . 19 GLU CG 1 1 11 8061 1 1 17 GLU H H 1.418 2.369 11.795 1.00 . A A . 19 GLU H 1 1 11 8062 1 1 17 GLU HA H 0.850 5.056 11.629 1.00 . A A . 19 GLU HA 1 1 11 8063 1 1 17 GLU HB2 H 2.697 3.749 10.433 1.00 . A A . 19 GLU HB2 1 1 11 8064 1 1 17 GLU HB3 H 1.514 3.433 9.166 1.00 . A A . 19 GLU HB3 1 1 11 8065 1 1 17 GLU HG2 H 2.504 5.380 8.368 1.00 . A A . 19 GLU HG2 1 1 11 8066 1 1 17 GLU HG3 H 1.145 6.042 9.277 1.00 . A A . 19 GLU HG3 1 1 11 8067 1 1 17 GLU N N 0.638 2.960 11.785 1.00 . A A . 19 GLU N 1 1 11 8068 1 1 17 GLU O O -1.116 3.514 9.551 1.00 . A A . 19 GLU O 1 1 11 8069 1 1 17 GLU OE1 O 4.239 6.117 10.055 1.00 . A A . 19 GLU OE1 1 1 11 8070 1 1 17 GLU OE2 O 2.575 6.971 11.124 1.00 . A A . 19 GLU OE2 1 1 11 8071 1 1 18 TYR C C -2.303 6.399 8.352 1.00 . A A . 20 TYR C 1 1 11 8072 1 1 18 TYR CA C -2.572 5.762 9.710 1.00 . A A . 20 TYR CA 1 1 11 8073 1 1 18 TYR CB C -3.448 6.691 10.539 1.00 . A A . 20 TYR CB 1 1 11 8074 1 1 18 TYR CD1 C -5.710 6.642 9.428 1.00 . A A . 20 TYR CD1 1 1 11 8075 1 1 18 TYR CD2 C -5.387 5.379 11.473 1.00 . A A . 20 TYR CD2 1 1 11 8076 1 1 18 TYR CE1 C -7.041 6.213 9.372 1.00 . A A . 20 TYR CE1 1 1 11 8077 1 1 18 TYR CE2 C -6.720 4.949 11.417 1.00 . A A . 20 TYR CE2 1 1 11 8078 1 1 18 TYR CG C -4.882 6.225 10.478 1.00 . A A . 20 TYR CG 1 1 11 8079 1 1 18 TYR CZ C -7.546 5.367 10.367 1.00 . A A . 20 TYR CZ 1 1 11 8080 1 1 18 TYR H H -0.891 6.231 10.968 1.00 . A A . 20 TYR H 1 1 11 8081 1 1 18 TYR HA H -3.080 4.817 9.569 1.00 . A A . 20 TYR HA 1 1 11 8082 1 1 18 TYR HB2 H -3.109 6.682 11.560 1.00 . A A . 20 TYR HB2 1 1 11 8083 1 1 18 TYR HB3 H -3.378 7.691 10.142 1.00 . A A . 20 TYR HB3 1 1 11 8084 1 1 18 TYR HD1 H -5.319 7.295 8.660 1.00 . A A . 20 TYR HD1 1 1 11 8085 1 1 18 TYR HD2 H -4.749 5.056 12.282 1.00 . A A . 20 TYR HD2 1 1 11 8086 1 1 18 TYR HE1 H -7.679 6.536 8.562 1.00 . A A . 20 TYR HE1 1 1 11 8087 1 1 18 TYR HE2 H -7.109 4.298 12.185 1.00 . A A . 20 TYR HE2 1 1 11 8088 1 1 18 TYR HH H -9.414 5.712 10.161 1.00 . A A . 20 TYR HH 1 1 11 8089 1 1 18 TYR N N -1.279 5.530 10.405 1.00 . A A . 20 TYR N 1 1 11 8090 1 1 18 TYR O O -1.944 7.556 8.250 1.00 . A A . 20 TYR O 1 1 11 8091 1 1 18 TYR OH O -8.860 4.944 10.313 1.00 . A A . 20 TYR OH 1 1 11 8092 1 1 19 ARG C C -3.161 5.443 4.964 1.00 . A A . 21 ARG C 1 1 11 8093 1 1 19 ARG CA C -2.244 6.183 5.941 1.00 . A A . 21 ARG CA 1 1 11 8094 1 1 19 ARG CB C -0.782 5.953 5.549 1.00 . A A . 21 ARG CB 1 1 11 8095 1 1 19 ARG CD C 1.588 6.492 6.122 1.00 . A A . 21 ARG CD 1 1 11 8096 1 1 19 ARG CG C 0.127 6.741 6.493 1.00 . A A . 21 ARG CG 1 1 11 8097 1 1 19 ARG CZ C 2.967 6.775 4.150 1.00 . A A . 21 ARG CZ 1 1 11 8098 1 1 19 ARG H H -2.773 4.725 7.431 1.00 . A A . 21 ARG H 1 1 11 8099 1 1 19 ARG HA H -2.461 7.240 5.922 1.00 . A A . 21 ARG HA 1 1 11 8100 1 1 19 ARG HB2 H -0.552 4.899 5.623 1.00 . A A . 21 ARG HB2 1 1 11 8101 1 1 19 ARG HB3 H -0.623 6.287 4.536 1.00 . A A . 21 ARG HB3 1 1 11 8102 1 1 19 ARG HD2 H 2.231 6.954 6.857 1.00 . A A . 21 ARG HD2 1 1 11 8103 1 1 19 ARG HD3 H 1.777 5.429 6.098 1.00 . A A . 21 ARG HD3 1 1 11 8104 1 1 19 ARG HE H 1.221 7.692 4.371 1.00 . A A . 21 ARG HE 1 1 11 8105 1 1 19 ARG HG2 H -0.093 7.796 6.405 1.00 . A A . 21 ARG HG2 1 1 11 8106 1 1 19 ARG HG3 H -0.045 6.421 7.510 1.00 . A A . 21 ARG HG3 1 1 11 8107 1 1 19 ARG HH11 H 2.337 4.952 3.615 1.00 . A A . 21 ARG HH11 1 1 11 8108 1 1 19 ARG HH12 H 3.930 5.378 3.090 1.00 . A A . 21 ARG HH12 1 1 11 8109 1 1 19 ARG HH21 H 3.853 8.528 4.539 1.00 . A A . 21 ARG HH21 1 1 11 8110 1 1 19 ARG HH22 H 4.792 7.403 3.615 1.00 . A A . 21 ARG HH22 1 1 11 8111 1 1 19 ARG N N -2.480 5.649 7.311 1.00 . A A . 21 ARG N 1 1 11 8112 1 1 19 ARG NE N 1.866 7.079 4.781 1.00 . A A . 21 ARG NE 1 1 11 8113 1 1 19 ARG NH1 N 3.089 5.611 3.574 1.00 . A A . 21 ARG NH1 1 1 11 8114 1 1 19 ARG NH2 N 3.948 7.637 4.097 1.00 . A A . 21 ARG NH2 1 1 11 8115 1 1 19 ARG O O -2.896 4.310 4.614 1.00 . A A . 21 ARG O 1 1 11 8116 1 1 20 PRO C C -4.664 5.486 2.208 1.00 . A A . 22 PRO C 1 1 11 8117 1 1 20 PRO CA C -5.203 5.506 3.639 1.00 . A A . 22 PRO CA 1 1 11 8118 1 1 20 PRO CB C -6.416 6.434 3.761 1.00 . A A . 22 PRO CB 1 1 11 8119 1 1 20 PRO CD C -4.537 7.475 4.985 1.00 . A A . 22 PRO CD 1 1 11 8120 1 1 20 PRO CG C -5.880 7.782 4.299 1.00 . A A . 22 PRO CG 1 1 11 8121 1 1 20 PRO HA H -5.470 4.513 3.956 1.00 . A A . 22 PRO HA 1 1 11 8122 1 1 20 PRO HB2 H -6.876 6.570 2.792 1.00 . A A . 22 PRO HB2 1 1 11 8123 1 1 20 PRO HB3 H -7.129 6.022 4.459 1.00 . A A . 22 PRO HB3 1 1 11 8124 1 1 20 PRO HD2 H -3.775 8.162 4.645 1.00 . A A . 22 PRO HD2 1 1 11 8125 1 1 20 PRO HD3 H -4.641 7.522 6.058 1.00 . A A . 22 PRO HD3 1 1 11 8126 1 1 20 PRO HG2 H -5.734 8.474 3.480 1.00 . A A . 22 PRO HG2 1 1 11 8127 1 1 20 PRO HG3 H -6.571 8.195 5.016 1.00 . A A . 22 PRO HG3 1 1 11 8128 1 1 20 PRO N N -4.221 6.095 4.563 1.00 . A A . 22 PRO N 1 1 11 8129 1 1 20 PRO O O -4.506 6.511 1.575 1.00 . A A . 22 PRO O 1 1 11 8130 1 1 21 LEU C C -4.891 3.443 -0.535 1.00 . A A . 23 LEU C 1 1 11 8131 1 1 21 LEU CA C -3.879 4.219 0.302 1.00 . A A . 23 LEU CA 1 1 11 8132 1 1 21 LEU CB C -2.546 3.467 0.292 1.00 . A A . 23 LEU CB 1 1 11 8133 1 1 21 LEU CD1 C -0.257 3.557 1.284 1.00 . A A . 23 LEU CD1 1 1 11 8134 1 1 21 LEU CD2 C -0.945 5.245 -0.424 1.00 . A A . 23 LEU CD2 1 1 11 8135 1 1 21 LEU CG C -1.422 4.396 0.756 1.00 . A A . 23 LEU CG 1 1 11 8136 1 1 21 LEU H H -4.537 3.508 2.222 1.00 . A A . 23 LEU H 1 1 11 8137 1 1 21 LEU HA H -3.745 5.208 -0.112 1.00 . A A . 23 LEU HA 1 1 11 8138 1 1 21 LEU HB2 H -2.608 2.617 0.956 1.00 . A A . 23 LEU HB2 1 1 11 8139 1 1 21 LEU HB3 H -2.334 3.124 -0.712 1.00 . A A . 23 LEU HB3 1 1 11 8140 1 1 21 LEU HD11 H -0.459 2.511 1.110 1.00 . A A . 23 LEU HD11 1 1 11 8141 1 1 21 LEU HD12 H -0.140 3.731 2.344 1.00 . A A . 23 LEU HD12 1 1 11 8142 1 1 21 LEU HD13 H 0.651 3.840 0.771 1.00 . A A . 23 LEU HD13 1 1 11 8143 1 1 21 LEU HD21 H -1.759 5.861 -0.777 1.00 . A A . 23 LEU HD21 1 1 11 8144 1 1 21 LEU HD22 H -0.611 4.598 -1.221 1.00 . A A . 23 LEU HD22 1 1 11 8145 1 1 21 LEU HD23 H -0.128 5.875 -0.106 1.00 . A A . 23 LEU HD23 1 1 11 8146 1 1 21 LEU HG H -1.789 5.040 1.542 1.00 . A A . 23 LEU HG 1 1 11 8147 1 1 21 LEU N N -4.394 4.321 1.693 1.00 . A A . 23 LEU N 1 1 11 8148 1 1 21 LEU O O -5.135 2.277 -0.297 1.00 . A A . 23 LEU O 1 1 11 8149 1 1 22 CYS C C -5.723 2.654 -3.494 1.00 . A A . 24 CYS C 1 1 11 8150 1 1 22 CYS CA C -6.465 3.320 -2.343 1.00 . A A . 24 CYS CA 1 1 11 8151 1 1 22 CYS CB C -7.526 4.279 -2.887 1.00 . A A . 24 CYS CB 1 1 11 8152 1 1 22 CYS H H -5.280 5.004 -1.707 1.00 . A A . 24 CYS H 1 1 11 8153 1 1 22 CYS HA H -6.942 2.564 -1.737 1.00 . A A . 24 CYS HA 1 1 11 8154 1 1 22 CYS HB2 H -7.256 5.295 -2.643 1.00 . A A . 24 CYS HB2 1 1 11 8155 1 1 22 CYS HB3 H -7.598 4.172 -3.959 1.00 . A A . 24 CYS HB3 1 1 11 8156 1 1 22 CYS N N -5.484 4.062 -1.515 1.00 . A A . 24 CYS N 1 1 11 8157 1 1 22 CYS O O -5.181 3.311 -4.357 1.00 . A A . 24 CYS O 1 1 11 8158 1 1 22 CYS SG S -9.118 3.875 -2.133 1.00 . A A . 24 CYS SG 1 1 11 8159 1 1 23 GLY C C -5.686 0.803 -5.909 1.00 . A A . 25 GLY C 1 1 11 8160 1 1 23 GLY CA C -4.953 0.625 -4.581 1.00 . A A . 25 GLY CA 1 1 11 8161 1 1 23 GLY H H -6.111 0.843 -2.780 1.00 . A A . 25 GLY H 1 1 11 8162 1 1 23 GLY HA2 H -3.950 1.016 -4.666 1.00 . A A . 25 GLY HA2 1 1 11 8163 1 1 23 GLY HA3 H -4.909 -0.427 -4.341 1.00 . A A . 25 GLY HA3 1 1 11 8164 1 1 23 GLY N N -5.677 1.348 -3.499 1.00 . A A . 25 GLY N 1 1 11 8165 1 1 23 GLY O O -6.888 0.972 -5.946 1.00 . A A . 25 GLY O 1 1 11 8166 1 1 24 SER C C -6.711 -0.136 -8.518 1.00 . A A . 26 SER C 1 1 11 8167 1 1 24 SER CA C -5.617 0.923 -8.334 1.00 . A A . 26 SER CA 1 1 11 8168 1 1 24 SER CB C -4.568 0.764 -9.435 1.00 . A A . 26 SER CB 1 1 11 8169 1 1 24 SER H H -3.997 0.620 -6.943 1.00 . A A . 26 SER H 1 1 11 8170 1 1 24 SER HA H -6.056 1.907 -8.400 1.00 . A A . 26 SER HA 1 1 11 8171 1 1 24 SER HB2 H -3.724 0.212 -9.056 1.00 . A A . 26 SER HB2 1 1 11 8172 1 1 24 SER HB3 H -5.001 0.227 -10.269 1.00 . A A . 26 SER HB3 1 1 11 8173 1 1 24 SER HG H -4.013 2.025 -10.810 1.00 . A A . 26 SER HG 1 1 11 8174 1 1 24 SER N N -4.967 0.761 -7.001 1.00 . A A . 26 SER N 1 1 11 8175 1 1 24 SER O O -7.522 -0.048 -9.418 1.00 . A A . 26 SER O 1 1 11 8176 1 1 24 SER OG O -4.133 2.049 -9.857 1.00 . A A . 26 SER OG 1 1 11 8177 1 1 25 ASP C C -9.109 -1.703 -7.192 1.00 . A A . 27 ASP C 1 1 11 8178 1 1 25 ASP CA C -7.790 -2.189 -7.806 1.00 . A A . 27 ASP CA 1 1 11 8179 1 1 25 ASP CB C -7.330 -3.453 -7.075 1.00 . A A . 27 ASP CB 1 1 11 8180 1 1 25 ASP CG C -7.430 -3.238 -5.564 1.00 . A A . 27 ASP CG 1 1 11 8181 1 1 25 ASP H H -6.086 -1.191 -6.955 1.00 . A A . 27 ASP H 1 1 11 8182 1 1 25 ASP HA H -7.943 -2.416 -8.852 1.00 . A A . 27 ASP HA 1 1 11 8183 1 1 25 ASP HB2 H -7.956 -4.283 -7.366 1.00 . A A . 27 ASP HB2 1 1 11 8184 1 1 25 ASP HB3 H -6.305 -3.666 -7.338 1.00 . A A . 27 ASP HB3 1 1 11 8185 1 1 25 ASP N N -6.745 -1.134 -7.674 1.00 . A A . 27 ASP N 1 1 11 8186 1 1 25 ASP O O -10.029 -2.470 -6.992 1.00 . A A . 27 ASP O 1 1 11 8187 1 1 25 ASP OD1 O -7.025 -2.183 -5.105 1.00 . A A . 27 ASP OD1 1 1 11 8188 1 1 25 ASP OD2 O -7.913 -4.133 -4.889 1.00 . A A . 27 ASP OD2 1 1 11 8189 1 1 26 ASN C C -10.586 -0.409 -4.847 1.00 . A A . 28 ASN C 1 1 11 8190 1 1 26 ASN CA C -10.461 0.090 -6.289 1.00 . A A . 28 ASN CA 1 1 11 8191 1 1 26 ASN CB C -11.657 -0.397 -7.108 1.00 . A A . 28 ASN CB 1 1 11 8192 1 1 26 ASN CG C -12.456 0.808 -7.609 1.00 . A A . 28 ASN CG 1 1 11 8193 1 1 26 ASN H H -8.461 0.166 -7.057 1.00 . A A . 28 ASN H 1 1 11 8194 1 1 26 ASN HA H -10.437 1.169 -6.297 1.00 . A A . 28 ASN HA 1 1 11 8195 1 1 26 ASN HB2 H -11.306 -0.972 -7.952 1.00 . A A . 28 ASN HB2 1 1 11 8196 1 1 26 ASN HB3 H -12.289 -1.013 -6.491 1.00 . A A . 28 ASN HB3 1 1 11 8197 1 1 26 ASN HD21 H -12.644 0.095 -9.453 1.00 . A A . 28 ASN HD21 1 1 11 8198 1 1 26 ASN HD22 H -13.369 1.606 -9.183 1.00 . A A . 28 ASN HD22 1 1 11 8199 1 1 26 ASN N N -9.208 -0.437 -6.890 1.00 . A A . 28 ASN N 1 1 11 8200 1 1 26 ASN ND2 N -12.856 0.839 -8.852 1.00 . A A . 28 ASN ND2 1 1 11 8201 1 1 26 ASN O O -11.662 -0.729 -4.383 1.00 . A A . 28 ASN O 1 1 11 8202 1 1 26 ASN OD1 O -12.718 1.730 -6.864 1.00 . A A . 28 ASN OD1 1 1 11 8203 1 1 27 LYS C C -8.904 0.064 -1.790 1.00 . A A . 29 LYS C 1 1 11 8204 1 1 27 LYS CA C -9.561 -0.959 -2.722 1.00 . A A . 29 LYS CA 1 1 11 8205 1 1 27 LYS CB C -8.833 -2.298 -2.597 1.00 . A A . 29 LYS CB 1 1 11 8206 1 1 27 LYS CD C -8.299 -4.174 -1.033 1.00 . A A . 29 LYS CD 1 1 11 8207 1 1 27 LYS CE C -8.613 -4.744 0.352 1.00 . A A . 29 LYS CE 1 1 11 8208 1 1 27 LYS CG C -8.865 -2.757 -1.139 1.00 . A A . 29 LYS CG 1 1 11 8209 1 1 27 LYS H H -8.632 -0.217 -4.525 1.00 . A A . 29 LYS H 1 1 11 8210 1 1 27 LYS HA H -10.596 -1.087 -2.437 1.00 . A A . 29 LYS HA 1 1 11 8211 1 1 27 LYS HB2 H -9.323 -3.033 -3.220 1.00 . A A . 29 LYS HB2 1 1 11 8212 1 1 27 LYS HB3 H -7.808 -2.182 -2.915 1.00 . A A . 29 LYS HB3 1 1 11 8213 1 1 27 LYS HD2 H -8.748 -4.800 -1.791 1.00 . A A . 29 LYS HD2 1 1 11 8214 1 1 27 LYS HD3 H -7.229 -4.147 -1.176 1.00 . A A . 29 LYS HD3 1 1 11 8215 1 1 27 LYS HE2 H -7.737 -4.664 0.980 1.00 . A A . 29 LYS HE2 1 1 11 8216 1 1 27 LYS HE3 H -9.425 -4.188 0.794 1.00 . A A . 29 LYS HE3 1 1 11 8217 1 1 27 LYS HG2 H -8.269 -2.085 -0.538 1.00 . A A . 29 LYS HG2 1 1 11 8218 1 1 27 LYS HG3 H -9.883 -2.750 -0.782 1.00 . A A . 29 LYS HG3 1 1 11 8219 1 1 27 LYS HZ1 H -9.164 -6.578 1.167 1.00 . A A . 29 LYS HZ1 1 1 11 8220 1 1 27 LYS HZ2 H -8.239 -6.701 -0.252 1.00 . A A . 29 LYS HZ2 1 1 11 8221 1 1 27 LYS HZ3 H -9.875 -6.250 -0.337 1.00 . A A . 29 LYS HZ3 1 1 11 8222 1 1 27 LYS N N -9.494 -0.479 -4.132 1.00 . A A . 29 LYS N 1 1 11 8223 1 1 27 LYS NZ N -9.002 -6.177 0.223 1.00 . A A . 29 LYS NZ 1 1 11 8224 1 1 27 LYS O O -8.165 0.928 -2.220 1.00 . A A . 29 LYS O 1 1 11 8225 1 1 28 THR C C -7.511 0.200 1.299 1.00 . A A . 30 THR C 1 1 11 8226 1 1 28 THR CA C -8.565 0.926 0.457 1.00 . A A . 30 THR CA 1 1 11 8227 1 1 28 THR CB C -9.663 1.478 1.371 1.00 . A A . 30 THR CB 1 1 11 8228 1 1 28 THR CG2 C -9.034 2.279 2.511 1.00 . A A . 30 THR CG2 1 1 11 8229 1 1 28 THR H H -9.766 -0.739 -0.193 1.00 . A A . 30 THR H 1 1 11 8230 1 1 28 THR HA H -8.099 1.740 -0.080 1.00 . A A . 30 THR HA 1 1 11 8231 1 1 28 THR HB H -10.233 0.661 1.784 1.00 . A A . 30 THR HB 1 1 11 8232 1 1 28 THR HG1 H -10.146 3.204 0.616 1.00 . A A . 30 THR HG1 1 1 11 8233 1 1 28 THR HG21 H -8.512 3.134 2.106 1.00 . A A . 30 THR HG21 1 1 11 8234 1 1 28 THR HG22 H -8.337 1.656 3.050 1.00 . A A . 30 THR HG22 1 1 11 8235 1 1 28 THR HG23 H -9.810 2.617 3.184 1.00 . A A . 30 THR HG23 1 1 11 8236 1 1 28 THR N N -9.168 -0.033 -0.514 1.00 . A A . 30 THR N 1 1 11 8237 1 1 28 THR O O -7.656 -0.962 1.622 1.00 . A A . 30 THR O 1 1 11 8238 1 1 28 THR OG1 O -10.522 2.322 0.617 1.00 . A A . 30 THR OG1 1 1 11 8239 1 1 29 TYR C C -5.238 0.941 3.803 1.00 . A A . 31 TYR C 1 1 11 8240 1 1 29 TYR CA C -5.382 0.224 2.462 1.00 . A A . 31 TYR CA 1 1 11 8241 1 1 29 TYR CB C -4.065 0.296 1.696 1.00 . A A . 31 TYR CB 1 1 11 8242 1 1 29 TYR CD1 C -3.819 -2.173 1.256 1.00 . A A . 31 TYR CD1 1 1 11 8243 1 1 29 TYR CD2 C -4.057 -0.670 -0.632 1.00 . A A . 31 TYR CD2 1 1 11 8244 1 1 29 TYR CE1 C -3.742 -3.263 0.379 1.00 . A A . 31 TYR CE1 1 1 11 8245 1 1 29 TYR CE2 C -3.982 -1.759 -1.508 1.00 . A A . 31 TYR CE2 1 1 11 8246 1 1 29 TYR CG C -3.975 -0.877 0.751 1.00 . A A . 31 TYR CG 1 1 11 8247 1 1 29 TYR CZ C -3.824 -3.055 -1.003 1.00 . A A . 31 TYR CZ 1 1 11 8248 1 1 29 TYR H H -6.343 1.805 1.375 1.00 . A A . 31 TYR H 1 1 11 8249 1 1 29 TYR HA H -5.636 -0.810 2.638 1.00 . A A . 31 TYR HA 1 1 11 8250 1 1 29 TYR HB2 H -4.026 1.218 1.134 1.00 . A A . 31 TYR HB2 1 1 11 8251 1 1 29 TYR HB3 H -3.246 0.263 2.391 1.00 . A A . 31 TYR HB3 1 1 11 8252 1 1 29 TYR HD1 H -3.755 -2.333 2.322 1.00 . A A . 31 TYR HD1 1 1 11 8253 1 1 29 TYR HD2 H -4.179 0.330 -1.022 1.00 . A A . 31 TYR HD2 1 1 11 8254 1 1 29 TYR HE1 H -3.620 -4.262 0.770 1.00 . A A . 31 TYR HE1 1 1 11 8255 1 1 29 TYR HE2 H -4.044 -1.599 -2.574 1.00 . A A . 31 TYR HE2 1 1 11 8256 1 1 29 TYR HH H -4.592 -4.196 -2.329 1.00 . A A . 31 TYR HH 1 1 11 8257 1 1 29 TYR N N -6.448 0.873 1.651 1.00 . A A . 31 TYR N 1 1 11 8258 1 1 29 TYR O O -5.625 2.082 3.956 1.00 . A A . 31 TYR O 1 1 11 8259 1 1 29 TYR OH O -3.750 -4.128 -1.869 1.00 . A A . 31 TYR OH 1 1 11 8260 1 1 30 GLY C C -3.211 1.707 6.129 1.00 . A A . 32 GLY C 1 1 11 8261 1 1 30 GLY CA C -4.510 0.903 6.112 1.00 . A A . 32 GLY CA 1 1 11 8262 1 1 30 GLY H H -4.381 -0.646 4.625 1.00 . A A . 32 GLY H 1 1 11 8263 1 1 30 GLY HA2 H -5.345 1.558 6.313 1.00 . A A . 32 GLY HA2 1 1 11 8264 1 1 30 GLY HA3 H -4.462 0.136 6.870 1.00 . A A . 32 GLY HA3 1 1 11 8265 1 1 30 GLY N N -4.684 0.273 4.777 1.00 . A A . 32 GLY N 1 1 11 8266 1 1 30 GLY O O -3.075 2.668 6.862 1.00 . A A . 32 GLY O 1 1 11 8267 1 1 31 ASN C C -0.002 1.459 4.300 1.00 . A A . 33 ASN C 1 1 11 8268 1 1 31 ASN CA C -0.973 2.091 5.301 1.00 . A A . 33 ASN CA 1 1 11 8269 1 1 31 ASN CB C -0.345 2.098 6.702 1.00 . A A . 33 ASN CB 1 1 11 8270 1 1 31 ASN CG C -0.022 0.668 7.137 1.00 . A A . 33 ASN CG 1 1 11 8271 1 1 31 ASN H H -2.381 0.557 4.733 1.00 . A A . 33 ASN H 1 1 11 8272 1 1 31 ASN HA H -1.174 3.111 5.001 1.00 . A A . 33 ASN HA 1 1 11 8273 1 1 31 ASN HB2 H 0.564 2.681 6.683 1.00 . A A . 33 ASN HB2 1 1 11 8274 1 1 31 ASN HB3 H -1.037 2.537 7.406 1.00 . A A . 33 ASN HB3 1 1 11 8275 1 1 31 ASN HD21 H 0.844 1.233 8.835 1.00 . A A . 33 ASN HD21 1 1 11 8276 1 1 31 ASN HD22 H 0.809 -0.442 8.562 1.00 . A A . 33 ASN HD22 1 1 11 8277 1 1 31 ASN N N -2.254 1.333 5.325 1.00 . A A . 33 ASN N 1 1 11 8278 1 1 31 ASN ND2 N 0.594 0.469 8.273 1.00 . A A . 33 ASN ND2 1 1 11 8279 1 1 31 ASN O O -0.228 0.381 3.788 1.00 . A A . 33 ASN O 1 1 11 8280 1 1 31 ASN OD1 O -0.331 -0.276 6.441 1.00 . A A . 33 ASN OD1 1 1 11 8281 1 1 32 LYS C C 2.538 0.223 3.438 1.00 . A A . 34 LYS C 1 1 11 8282 1 1 32 LYS CA C 2.074 1.626 3.042 1.00 . A A . 34 LYS CA 1 1 11 8283 1 1 32 LYS CB C 3.280 2.566 3.022 1.00 . A A . 34 LYS CB 1 1 11 8284 1 1 32 LYS CD C 5.228 3.243 4.437 1.00 . A A . 34 LYS CD 1 1 11 8285 1 1 32 LYS CE C 5.709 3.476 5.869 1.00 . A A . 34 LYS CE 1 1 11 8286 1 1 32 LYS CG C 3.758 2.813 4.454 1.00 . A A . 34 LYS CG 1 1 11 8287 1 1 32 LYS H H 1.210 3.007 4.437 1.00 . A A . 34 LYS H 1 1 11 8288 1 1 32 LYS HA H 1.634 1.592 2.057 1.00 . A A . 34 LYS HA 1 1 11 8289 1 1 32 LYS HB2 H 4.076 2.116 2.447 1.00 . A A . 34 LYS HB2 1 1 11 8290 1 1 32 LYS HB3 H 2.995 3.504 2.572 1.00 . A A . 34 LYS HB3 1 1 11 8291 1 1 32 LYS HD2 H 5.823 2.466 3.979 1.00 . A A . 34 LYS HD2 1 1 11 8292 1 1 32 LYS HD3 H 5.329 4.156 3.871 1.00 . A A . 34 LYS HD3 1 1 11 8293 1 1 32 LYS HE2 H 5.039 4.163 6.368 1.00 . A A . 34 LYS HE2 1 1 11 8294 1 1 32 LYS HE3 H 5.725 2.538 6.404 1.00 . A A . 34 LYS HE3 1 1 11 8295 1 1 32 LYS HG2 H 3.159 3.592 4.904 1.00 . A A . 34 LYS HG2 1 1 11 8296 1 1 32 LYS HG3 H 3.658 1.905 5.030 1.00 . A A . 34 LYS HG3 1 1 11 8297 1 1 32 LYS HZ1 H 7.568 3.757 4.974 1.00 . A A . 34 LYS HZ1 1 1 11 8298 1 1 32 LYS HZ2 H 7.615 3.724 6.671 1.00 . A A . 34 LYS HZ2 1 1 11 8299 1 1 32 LYS HZ3 H 7.021 5.094 5.861 1.00 . A A . 34 LYS HZ3 1 1 11 8300 1 1 32 LYS N N 1.070 2.142 4.015 1.00 . A A . 34 LYS N 1 1 11 8301 1 1 32 LYS NZ N 7.083 4.058 5.841 1.00 . A A . 34 LYS NZ 1 1 11 8302 1 1 32 LYS O O 3.128 -0.484 2.650 1.00 . A A . 34 LYS O 1 1 11 8303 1 1 33 CYS C C 1.812 -2.579 4.369 1.00 . A A . 35 CYS C 1 1 11 8304 1 1 33 CYS CA C 2.716 -1.559 5.052 1.00 . A A . 35 CYS CA 1 1 11 8305 1 1 33 CYS CB C 2.595 -1.702 6.571 1.00 . A A . 35 CYS CB 1 1 11 8306 1 1 33 CYS H H 1.805 0.377 5.279 1.00 . A A . 35 CYS H 1 1 11 8307 1 1 33 CYS HA H 3.739 -1.721 4.750 1.00 . A A . 35 CYS HA 1 1 11 8308 1 1 33 CYS HB2 H 3.406 -1.169 7.045 1.00 . A A . 35 CYS HB2 1 1 11 8309 1 1 33 CYS HB3 H 1.654 -1.287 6.897 1.00 . A A . 35 CYS HB3 1 1 11 8310 1 1 33 CYS N N 2.282 -0.196 4.646 1.00 . A A . 35 CYS N 1 1 11 8311 1 1 33 CYS O O 2.265 -3.553 3.800 1.00 . A A . 35 CYS O 1 1 11 8312 1 1 33 CYS SG S 2.674 -3.455 7.029 1.00 . A A . 35 CYS SG 1 1 11 8313 1 1 34 ASN C C -0.469 -3.053 2.301 1.00 . A A . 36 ASN C 1 1 11 8314 1 1 34 ASN CA C -0.419 -3.295 3.813 1.00 . A A . 36 ASN CA 1 1 11 8315 1 1 34 ASN CB C -1.787 -3.037 4.432 1.00 . A A . 36 ASN CB 1 1 11 8316 1 1 34 ASN CG C -2.225 -4.261 5.238 1.00 . A A . 36 ASN CG 1 1 11 8317 1 1 34 ASN H H 0.196 -1.572 4.902 1.00 . A A . 36 ASN H 1 1 11 8318 1 1 34 ASN HA H -0.118 -4.312 4.012 1.00 . A A . 36 ASN HA 1 1 11 8319 1 1 34 ASN HB2 H -1.726 -2.178 5.086 1.00 . A A . 36 ASN HB2 1 1 11 8320 1 1 34 ASN HB3 H -2.496 -2.840 3.654 1.00 . A A . 36 ASN HB3 1 1 11 8321 1 1 34 ASN HD21 H -0.797 -4.039 6.603 1.00 . A A . 36 ASN HD21 1 1 11 8322 1 1 34 ASN HD22 H -1.832 -5.362 6.846 1.00 . A A . 36 ASN HD22 1 1 11 8323 1 1 34 ASN N N 0.535 -2.359 4.434 1.00 . A A . 36 ASN N 1 1 11 8324 1 1 34 ASN ND2 N -1.564 -4.582 6.318 1.00 . A A . 36 ASN ND2 1 1 11 8325 1 1 34 ASN O O -1.053 -3.821 1.561 1.00 . A A . 36 ASN O 1 1 11 8326 1 1 34 ASN OD1 O -3.176 -4.930 4.885 1.00 . A A . 36 ASN OD1 1 1 11 8327 1 1 35 PHE C C 1.333 -2.360 -0.304 1.00 . A A . 37 PHE C 1 1 11 8328 1 1 35 PHE CA C 0.120 -1.715 0.370 1.00 . A A . 37 PHE CA 1 1 11 8329 1 1 35 PHE CB C 0.165 -0.209 0.115 1.00 . A A . 37 PHE CB 1 1 11 8330 1 1 35 PHE CD1 C 1.318 0.052 -2.107 1.00 . A A . 37 PHE CD1 1 1 11 8331 1 1 35 PHE CD2 C -1.105 0.158 -2.036 1.00 . A A . 37 PHE CD2 1 1 11 8332 1 1 35 PHE CE1 C 1.285 0.230 -3.493 1.00 . A A . 37 PHE CE1 1 1 11 8333 1 1 35 PHE CE2 C -1.136 0.342 -3.425 1.00 . A A . 37 PHE CE2 1 1 11 8334 1 1 35 PHE CG C 0.124 0.015 -1.377 1.00 . A A . 37 PHE CG 1 1 11 8335 1 1 35 PHE CZ C 0.060 0.378 -4.151 1.00 . A A . 37 PHE CZ 1 1 11 8336 1 1 35 PHE H H 0.607 -1.385 2.444 1.00 . A A . 37 PHE H 1 1 11 8337 1 1 35 PHE HA H -0.783 -2.123 -0.059 1.00 . A A . 37 PHE HA 1 1 11 8338 1 1 35 PHE HB2 H -0.681 0.272 0.589 1.00 . A A . 37 PHE HB2 1 1 11 8339 1 1 35 PHE HB3 H 1.082 0.199 0.513 1.00 . A A . 37 PHE HB3 1 1 11 8340 1 1 35 PHE HD1 H 2.263 -0.061 -1.599 1.00 . A A . 37 PHE HD1 1 1 11 8341 1 1 35 PHE HD2 H -2.027 0.133 -1.474 1.00 . A A . 37 PHE HD2 1 1 11 8342 1 1 35 PHE HE1 H 2.208 0.258 -4.055 1.00 . A A . 37 PHE HE1 1 1 11 8343 1 1 35 PHE HE2 H -2.084 0.456 -3.936 1.00 . A A . 37 PHE HE2 1 1 11 8344 1 1 35 PHE HZ H 0.038 0.511 -5.221 1.00 . A A . 37 PHE HZ 1 1 11 8345 1 1 35 PHE N N 0.139 -1.993 1.835 1.00 . A A . 37 PHE N 1 1 11 8346 1 1 35 PHE O O 1.200 -3.145 -1.222 1.00 . A A . 37 PHE O 1 1 11 8347 1 1 36 CYS C C 3.634 -4.139 -0.364 1.00 . A A . 38 CYS C 1 1 11 8348 1 1 36 CYS CA C 3.734 -2.625 -0.478 1.00 . A A . 38 CYS CA 1 1 11 8349 1 1 36 CYS CB C 4.988 -2.139 0.255 1.00 . A A . 38 CYS CB 1 1 11 8350 1 1 36 CYS H H 2.601 -1.407 0.884 1.00 . A A . 38 CYS H 1 1 11 8351 1 1 36 CYS HA H 3.786 -2.343 -1.521 1.00 . A A . 38 CYS HA 1 1 11 8352 1 1 36 CYS HB2 H 4.794 -2.118 1.316 1.00 . A A . 38 CYS HB2 1 1 11 8353 1 1 36 CYS HB3 H 5.805 -2.817 0.053 1.00 . A A . 38 CYS HB3 1 1 11 8354 1 1 36 CYS N N 2.517 -2.034 0.142 1.00 . A A . 38 CYS N 1 1 11 8355 1 1 36 CYS O O 4.088 -4.874 -1.219 1.00 . A A . 38 CYS O 1 1 11 8356 1 1 36 CYS SG S 5.429 -0.476 -0.308 1.00 . A A . 38 CYS SG 1 1 11 8357 1 1 37 ASN C C 1.810 -6.569 -0.117 1.00 . A A . 39 ASN C 1 1 11 8358 1 1 37 ASN CA C 2.875 -6.078 0.858 1.00 . A A . 39 ASN CA 1 1 11 8359 1 1 37 ASN CB C 2.452 -6.399 2.293 1.00 . A A . 39 ASN CB 1 1 11 8360 1 1 37 ASN CG C 3.676 -6.848 3.096 1.00 . A A . 39 ASN CG 1 1 11 8361 1 1 37 ASN H H 2.656 -3.988 1.357 1.00 . A A . 39 ASN H 1 1 11 8362 1 1 37 ASN HA H 3.813 -6.562 0.634 1.00 . A A . 39 ASN HA 1 1 11 8363 1 1 37 ASN HB2 H 2.025 -5.517 2.749 1.00 . A A . 39 ASN HB2 1 1 11 8364 1 1 37 ASN HB3 H 1.721 -7.192 2.285 1.00 . A A . 39 ASN HB3 1 1 11 8365 1 1 37 ASN HD21 H 3.320 -5.606 4.603 1.00 . A A . 39 ASN HD21 1 1 11 8366 1 1 37 ASN HD22 H 4.700 -6.580 4.776 1.00 . A A . 39 ASN HD22 1 1 11 8367 1 1 37 ASN N N 3.024 -4.609 0.686 1.00 . A A . 39 ASN N 1 1 11 8368 1 1 37 ASN ND2 N 3.919 -6.299 4.255 1.00 . A A . 39 ASN ND2 1 1 11 8369 1 1 37 ASN O O 1.970 -7.576 -0.777 1.00 . A A . 39 ASN O 1 1 11 8370 1 1 37 ASN OD1 O 4.419 -7.707 2.663 1.00 . A A . 39 ASN OD1 1 1 11 8371 1 1 38 ALA C C 0.293 -6.273 -2.583 1.00 . A A . 40 ALA C 1 1 11 8372 1 1 38 ALA CA C -0.327 -6.253 -1.191 1.00 . A A . 40 ALA CA 1 1 11 8373 1 1 38 ALA CB C -1.480 -5.246 -1.149 1.00 . A A . 40 ALA CB 1 1 11 8374 1 1 38 ALA H H 0.636 -5.024 0.290 1.00 . A A . 40 ALA H 1 1 11 8375 1 1 38 ALA HA H -0.689 -7.239 -0.938 1.00 . A A . 40 ALA HA 1 1 11 8376 1 1 38 ALA HB1 H -1.738 -5.035 -0.122 1.00 . A A . 40 ALA HB1 1 1 11 8377 1 1 38 ALA HB2 H -2.337 -5.660 -1.657 1.00 . A A . 40 ALA HB2 1 1 11 8378 1 1 38 ALA HB3 H -1.177 -4.332 -1.640 1.00 . A A . 40 ALA HB3 1 1 11 8379 1 1 38 ALA N N 0.732 -5.845 -0.233 1.00 . A A . 40 ALA N 1 1 11 8380 1 1 38 ALA O O -0.181 -6.937 -3.484 1.00 . A A . 40 ALA O 1 1 11 8381 1 1 39 VAL C C 2.968 -6.750 -4.168 1.00 . A A . 41 VAL C 1 1 11 8382 1 1 39 VAL CA C 2.053 -5.530 -4.073 1.00 . A A . 41 VAL CA 1 1 11 8383 1 1 39 VAL CB C 2.880 -4.248 -4.200 1.00 . A A . 41 VAL CB 1 1 11 8384 1 1 39 VAL CG1 C 3.882 -4.388 -5.349 1.00 . A A . 41 VAL CG1 1 1 11 8385 1 1 39 VAL CG2 C 1.947 -3.068 -4.487 1.00 . A A . 41 VAL CG2 1 1 11 8386 1 1 39 VAL H H 1.734 -5.038 -2.004 1.00 . A A . 41 VAL H 1 1 11 8387 1 1 39 VAL HA H 1.317 -5.568 -4.862 1.00 . A A . 41 VAL HA 1 1 11 8388 1 1 39 VAL HB H 3.413 -4.071 -3.277 1.00 . A A . 41 VAL HB 1 1 11 8389 1 1 39 VAL HG11 H 4.819 -4.766 -4.966 1.00 . A A . 41 VAL HG11 1 1 11 8390 1 1 39 VAL HG12 H 4.044 -3.423 -5.805 1.00 . A A . 41 VAL HG12 1 1 11 8391 1 1 39 VAL HG13 H 3.492 -5.073 -6.086 1.00 . A A . 41 VAL HG13 1 1 11 8392 1 1 39 VAL HG21 H 1.997 -2.363 -3.670 1.00 . A A . 41 VAL HG21 1 1 11 8393 1 1 39 VAL HG22 H 0.935 -3.428 -4.591 1.00 . A A . 41 VAL HG22 1 1 11 8394 1 1 39 VAL HG23 H 2.252 -2.582 -5.402 1.00 . A A . 41 VAL HG23 1 1 11 8395 1 1 39 VAL N N 1.369 -5.554 -2.753 1.00 . A A . 41 VAL N 1 1 11 8396 1 1 39 VAL O O 3.145 -7.326 -5.225 1.00 . A A . 41 VAL O 1 1 11 8397 1 1 40 VAL C C 3.579 -9.605 -3.284 1.00 . A A . 42 VAL C 1 1 11 8398 1 1 40 VAL CA C 4.435 -8.350 -3.097 1.00 . A A . 42 VAL CA 1 1 11 8399 1 1 40 VAL CB C 5.212 -8.447 -1.784 1.00 . A A . 42 VAL CB 1 1 11 8400 1 1 40 VAL CG1 C 6.347 -9.461 -1.936 1.00 . A A . 42 VAL CG1 1 1 11 8401 1 1 40 VAL CG2 C 5.800 -7.079 -1.436 1.00 . A A . 42 VAL CG2 1 1 11 8402 1 1 40 VAL H H 3.381 -6.685 -2.222 1.00 . A A . 42 VAL H 1 1 11 8403 1 1 40 VAL HA H 5.127 -8.261 -3.922 1.00 . A A . 42 VAL HA 1 1 11 8404 1 1 40 VAL HB H 4.548 -8.768 -0.995 1.00 . A A . 42 VAL HB 1 1 11 8405 1 1 40 VAL HG11 H 6.756 -9.395 -2.934 1.00 . A A . 42 VAL HG11 1 1 11 8406 1 1 40 VAL HG12 H 5.967 -10.457 -1.767 1.00 . A A . 42 VAL HG12 1 1 11 8407 1 1 40 VAL HG13 H 7.122 -9.245 -1.216 1.00 . A A . 42 VAL HG13 1 1 11 8408 1 1 40 VAL HG21 H 5.415 -6.336 -2.120 1.00 . A A . 42 VAL HG21 1 1 11 8409 1 1 40 VAL HG22 H 6.876 -7.118 -1.516 1.00 . A A . 42 VAL HG22 1 1 11 8410 1 1 40 VAL HG23 H 5.523 -6.814 -0.426 1.00 . A A . 42 VAL HG23 1 1 11 8411 1 1 40 VAL N N 3.543 -7.158 -3.068 1.00 . A A . 42 VAL N 1 1 11 8412 1 1 40 VAL O O 4.080 -10.674 -3.571 1.00 . A A . 42 VAL O 1 1 11 8413 1 1 41 GLU C C 0.819 -10.668 -4.709 1.00 . A A . 43 GLU C 1 1 11 8414 1 1 41 GLU CA C 1.395 -10.659 -3.291 1.00 . A A . 43 GLU CA 1 1 11 8415 1 1 41 GLU CB C 0.249 -10.578 -2.281 1.00 . A A . 43 GLU CB 1 1 11 8416 1 1 41 GLU CD C 0.129 -12.335 -0.509 1.00 . A A . 43 GLU CD 1 1 11 8417 1 1 41 GLU CG C 0.754 -10.994 -0.898 1.00 . A A . 43 GLU CG 1 1 11 8418 1 1 41 GLU H H 1.907 -8.606 -2.892 1.00 . A A . 43 GLU H 1 1 11 8419 1 1 41 GLU HA H 1.958 -11.565 -3.125 1.00 . A A . 43 GLU HA 1 1 11 8420 1 1 41 GLU HB2 H -0.122 -9.564 -2.239 1.00 . A A . 43 GLU HB2 1 1 11 8421 1 1 41 GLU HB3 H -0.547 -11.240 -2.585 1.00 . A A . 43 GLU HB3 1 1 11 8422 1 1 41 GLU HG2 H 1.830 -11.091 -0.922 1.00 . A A . 43 GLU HG2 1 1 11 8423 1 1 41 GLU HG3 H 0.474 -10.245 -0.171 1.00 . A A . 43 GLU HG3 1 1 11 8424 1 1 41 GLU N N 2.289 -9.479 -3.122 1.00 . A A . 43 GLU N 1 1 11 8425 1 1 41 GLU O O 0.692 -11.704 -5.331 1.00 . A A . 43 GLU O 1 1 11 8426 1 1 41 GLU OE1 O 0.138 -13.232 -1.338 1.00 . A A . 43 GLU OE1 1 1 11 8427 1 1 41 GLU OE2 O -0.347 -12.442 0.607 1.00 . A A . 43 GLU OE2 1 1 11 8428 1 1 42 SER C C 1.004 -9.717 -7.626 1.00 . A A . 44 SER C 1 1 11 8429 1 1 42 SER CA C -0.104 -9.462 -6.599 1.00 . A A . 44 SER CA 1 1 11 8430 1 1 42 SER CB C -0.719 -8.081 -6.837 1.00 . A A . 44 SER CB 1 1 11 8431 1 1 42 SER H H 0.574 -8.697 -4.703 1.00 . A A . 44 SER H 1 1 11 8432 1 1 42 SER HA H -0.868 -10.217 -6.702 1.00 . A A . 44 SER HA 1 1 11 8433 1 1 42 SER HB2 H -0.774 -7.545 -5.904 1.00 . A A . 44 SER HB2 1 1 11 8434 1 1 42 SER HB3 H -0.100 -7.527 -7.530 1.00 . A A . 44 SER HB3 1 1 11 8435 1 1 42 SER HG H -1.956 -8.674 -8.217 1.00 . A A . 44 SER HG 1 1 11 8436 1 1 42 SER N N 0.467 -9.520 -5.223 1.00 . A A . 44 SER N 1 1 11 8437 1 1 42 SER O O 0.753 -9.801 -8.812 1.00 . A A . 44 SER O 1 1 11 8438 1 1 42 SER OG O -2.028 -8.234 -7.366 1.00 . A A . 44 SER OG 1 1 11 8439 1 1 43 ASN C C 3.707 -8.800 -8.857 1.00 . A A . 45 ASN C 1 1 11 8440 1 1 43 ASN CA C 3.344 -10.099 -8.133 1.00 . A A . 45 ASN CA 1 1 11 8441 1 1 43 ASN CB C 2.913 -11.149 -9.159 1.00 . A A . 45 ASN CB 1 1 11 8442 1 1 43 ASN CG C 4.109 -12.028 -9.527 1.00 . A A . 45 ASN CG 1 1 11 8443 1 1 43 ASN H H 2.406 -9.777 -6.220 1.00 . A A . 45 ASN H 1 1 11 8444 1 1 43 ASN HA H 4.204 -10.460 -7.588 1.00 . A A . 45 ASN HA 1 1 11 8445 1 1 43 ASN HB2 H 2.131 -11.763 -8.738 1.00 . A A . 45 ASN HB2 1 1 11 8446 1 1 43 ASN HB3 H 2.546 -10.655 -10.045 1.00 . A A . 45 ASN HB3 1 1 11 8447 1 1 43 ASN HD21 H 3.600 -12.168 -11.441 1.00 . A A . 45 ASN HD21 1 1 11 8448 1 1 43 ASN HD22 H 5.018 -12.992 -11.005 1.00 . A A . 45 ASN HD22 1 1 11 8449 1 1 43 ASN N N 2.224 -9.846 -7.181 1.00 . A A . 45 ASN N 1 1 11 8450 1 1 43 ASN ND2 N 4.255 -12.429 -10.761 1.00 . A A . 45 ASN ND2 1 1 11 8451 1 1 43 ASN O O 4.431 -8.806 -9.833 1.00 . A A . 45 ASN O 1 1 11 8452 1 1 43 ASN OD1 O 4.923 -12.351 -8.684 1.00 . A A . 45 ASN OD1 1 1 11 8453 1 1 44 GLY C C 2.343 -5.930 -9.888 1.00 . A A . 46 GLY C 1 1 11 8454 1 1 44 GLY CA C 3.536 -6.393 -9.049 1.00 . A A . 46 GLY CA 1 1 11 8455 1 1 44 GLY H H 2.634 -7.705 -7.596 1.00 . A A . 46 GLY H 1 1 11 8456 1 1 44 GLY HA2 H 3.757 -5.650 -8.296 1.00 . A A . 46 GLY HA2 1 1 11 8457 1 1 44 GLY HA3 H 4.395 -6.520 -9.691 1.00 . A A . 46 GLY HA3 1 1 11 8458 1 1 44 GLY N N 3.215 -7.689 -8.386 1.00 . A A . 46 GLY N 1 1 11 8459 1 1 44 GLY O O 2.387 -4.899 -10.529 1.00 . A A . 46 GLY O 1 1 11 8460 1 1 45 THR C C -0.845 -5.417 -9.835 1.00 . A A . 47 THR C 1 1 11 8461 1 1 45 THR CA C 0.084 -6.277 -10.696 1.00 . A A . 47 THR CA 1 1 11 8462 1 1 45 THR CB C -0.666 -7.529 -11.165 1.00 . A A . 47 THR CB 1 1 11 8463 1 1 45 THR CG2 C 0.043 -8.124 -12.383 1.00 . A A . 47 THR CG2 1 1 11 8464 1 1 45 THR H H 1.256 -7.512 -9.372 1.00 . A A . 47 THR H 1 1 11 8465 1 1 45 THR HA H 0.406 -5.708 -11.555 1.00 . A A . 47 THR HA 1 1 11 8466 1 1 45 THR HB H -1.675 -7.264 -11.434 1.00 . A A . 47 THR HB 1 1 11 8467 1 1 45 THR HG1 H -0.635 -9.359 -10.509 1.00 . A A . 47 THR HG1 1 1 11 8468 1 1 45 THR HG21 H -0.694 -8.507 -13.075 1.00 . A A . 47 THR HG21 1 1 11 8469 1 1 45 THR HG22 H 0.690 -8.927 -12.065 1.00 . A A . 47 THR HG22 1 1 11 8470 1 1 45 THR HG23 H 0.630 -7.359 -12.869 1.00 . A A . 47 THR HG23 1 1 11 8471 1 1 45 THR N N 1.275 -6.681 -9.894 1.00 . A A . 47 THR N 1 1 11 8472 1 1 45 THR O O -2.029 -5.312 -10.095 1.00 . A A . 47 THR O 1 1 11 8473 1 1 45 THR OG1 O -0.687 -8.485 -10.115 1.00 . A A . 47 THR OG1 1 1 11 8474 1 1 46 LEU C C -0.514 -2.575 -7.753 1.00 . A A . 48 LEU C 1 1 11 8475 1 1 46 LEU CA C -1.173 -3.948 -7.930 1.00 . A A . 48 LEU CA 1 1 11 8476 1 1 46 LEU CB C -1.325 -4.626 -6.567 1.00 . A A . 48 LEU CB 1 1 11 8477 1 1 46 LEU CD1 C -3.714 -4.919 -5.896 1.00 . A A . 48 LEU CD1 1 1 11 8478 1 1 46 LEU CD2 C -2.104 -3.817 -4.339 1.00 . A A . 48 LEU CD2 1 1 11 8479 1 1 46 LEU CG C -2.495 -4.000 -5.807 1.00 . A A . 48 LEU CG 1 1 11 8480 1 1 46 LEU H H 0.636 -4.898 -8.618 1.00 . A A . 48 LEU H 1 1 11 8481 1 1 46 LEU HA H -2.146 -3.822 -8.380 1.00 . A A . 48 LEU HA 1 1 11 8482 1 1 46 LEU HB2 H -1.512 -5.680 -6.710 1.00 . A A . 48 LEU HB2 1 1 11 8483 1 1 46 LEU HB3 H -0.417 -4.497 -5.998 1.00 . A A . 48 LEU HB3 1 1 11 8484 1 1 46 LEU HD11 H -3.505 -5.726 -6.581 1.00 . A A . 48 LEU HD11 1 1 11 8485 1 1 46 LEU HD12 H -4.564 -4.355 -6.251 1.00 . A A . 48 LEU HD12 1 1 11 8486 1 1 46 LEU HD13 H -3.933 -5.322 -4.919 1.00 . A A . 48 LEU HD13 1 1 11 8487 1 1 46 LEU HD21 H -1.963 -4.785 -3.881 1.00 . A A . 48 LEU HD21 1 1 11 8488 1 1 46 LEU HD22 H -2.888 -3.286 -3.822 1.00 . A A . 48 LEU HD22 1 1 11 8489 1 1 46 LEU HD23 H -1.185 -3.253 -4.279 1.00 . A A . 48 LEU HD23 1 1 11 8490 1 1 46 LEU HG H -2.734 -3.039 -6.240 1.00 . A A . 48 LEU HG 1 1 11 8491 1 1 46 LEU N N -0.321 -4.799 -8.810 1.00 . A A . 48 LEU N 1 1 11 8492 1 1 46 LEU O O 0.655 -2.475 -7.436 1.00 . A A . 48 LEU O 1 1 11 8493 1 1 47 THR C C -1.551 0.693 -6.889 1.00 . A A . 49 THR C 1 1 11 8494 1 1 47 THR CA C -0.669 -0.155 -7.806 1.00 . A A . 49 THR CA 1 1 11 8495 1 1 47 THR CB C -0.575 0.515 -9.180 1.00 . A A . 49 THR CB 1 1 11 8496 1 1 47 THR CG2 C -0.134 -0.512 -10.225 1.00 . A A . 49 THR CG2 1 1 11 8497 1 1 47 THR H H -2.194 -1.622 -8.216 1.00 . A A . 49 THR H 1 1 11 8498 1 1 47 THR HA H 0.316 -0.228 -7.379 1.00 . A A . 49 THR HA 1 1 11 8499 1 1 47 THR HB H 0.148 1.315 -9.141 1.00 . A A . 49 THR HB 1 1 11 8500 1 1 47 THR HG1 H -1.722 1.952 -9.815 1.00 . A A . 49 THR HG1 1 1 11 8501 1 1 47 THR HG21 H 0.279 0.001 -11.082 1.00 . A A . 49 THR HG21 1 1 11 8502 1 1 47 THR HG22 H -0.985 -1.099 -10.533 1.00 . A A . 49 THR HG22 1 1 11 8503 1 1 47 THR HG23 H 0.617 -1.160 -9.799 1.00 . A A . 49 THR HG23 1 1 11 8504 1 1 47 THR N N -1.255 -1.518 -7.959 1.00 . A A . 49 THR N 1 1 11 8505 1 1 47 THR O O -2.218 0.189 -6.008 1.00 . A A . 49 THR O 1 1 11 8506 1 1 47 THR OG1 O -1.845 1.040 -9.537 1.00 . A A . 49 THR OG1 1 1 11 8507 1 1 48 LEU C C -3.133 3.861 -7.152 1.00 . A A . 50 LEU C 1 1 11 8508 1 1 48 LEU CA C -2.364 2.892 -6.248 1.00 . A A . 50 LEU CA 1 1 11 8509 1 1 48 LEU CB C -1.450 3.694 -5.321 1.00 . A A . 50 LEU CB 1 1 11 8510 1 1 48 LEU CD1 C -2.463 4.356 -3.138 1.00 . A A . 50 LEU CD1 1 1 11 8511 1 1 48 LEU CD2 C -1.538 6.101 -4.661 1.00 . A A . 50 LEU CD2 1 1 11 8512 1 1 48 LEU CG C -2.271 4.761 -4.599 1.00 . A A . 50 LEU CG 1 1 11 8513 1 1 48 LEU H H -0.985 2.346 -7.804 1.00 . A A . 50 LEU H 1 1 11 8514 1 1 48 LEU HA H -3.061 2.315 -5.657 1.00 . A A . 50 LEU HA 1 1 11 8515 1 1 48 LEU HB2 H -1.001 3.029 -4.595 1.00 . A A . 50 LEU HB2 1 1 11 8516 1 1 48 LEU HB3 H -0.675 4.170 -5.902 1.00 . A A . 50 LEU HB3 1 1 11 8517 1 1 48 LEU HD11 H -2.000 5.091 -2.498 1.00 . A A . 50 LEU HD11 1 1 11 8518 1 1 48 LEU HD12 H -2.009 3.392 -2.967 1.00 . A A . 50 LEU HD12 1 1 11 8519 1 1 48 LEU HD13 H -3.520 4.300 -2.915 1.00 . A A . 50 LEU HD13 1 1 11 8520 1 1 48 LEU HD21 H -0.784 6.061 -5.434 1.00 . A A . 50 LEU HD21 1 1 11 8521 1 1 48 LEU HD22 H -1.066 6.297 -3.710 1.00 . A A . 50 LEU HD22 1 1 11 8522 1 1 48 LEU HD23 H -2.243 6.888 -4.885 1.00 . A A . 50 LEU HD23 1 1 11 8523 1 1 48 LEU HG H -3.236 4.855 -5.075 1.00 . A A . 50 LEU HG 1 1 11 8524 1 1 48 LEU N N -1.541 1.979 -7.093 1.00 . A A . 50 LEU N 1 1 11 8525 1 1 48 LEU O O -2.557 4.546 -7.974 1.00 . A A . 50 LEU O 1 1 11 8526 1 1 49 SER C C -5.236 6.254 -7.266 1.00 . A A . 51 SER C 1 1 11 8527 1 1 49 SER CA C -5.228 4.842 -7.864 1.00 . A A . 51 SER CA 1 1 11 8528 1 1 49 SER CB C -6.662 4.323 -7.964 1.00 . A A . 51 SER CB 1 1 11 8529 1 1 49 SER H H -4.874 3.358 -6.351 1.00 . A A . 51 SER H 1 1 11 8530 1 1 49 SER HA H -4.791 4.877 -8.848 1.00 . A A . 51 SER HA 1 1 11 8531 1 1 49 SER HB2 H -6.849 3.618 -7.173 1.00 . A A . 51 SER HB2 1 1 11 8532 1 1 49 SER HB3 H -7.351 5.154 -7.875 1.00 . A A . 51 SER HB3 1 1 11 8533 1 1 49 SER HG H -7.186 4.324 -9.839 1.00 . A A . 51 SER HG 1 1 11 8534 1 1 49 SER N N -4.428 3.922 -7.011 1.00 . A A . 51 SER N 1 1 11 8535 1 1 49 SER O O -5.433 7.224 -7.969 1.00 . A A . 51 SER O 1 1 11 8536 1 1 49 SER OG O -6.841 3.678 -9.218 1.00 . A A . 51 SER OG 1 1 11 8537 1 1 50 HIS C C -4.677 7.649 -3.891 1.00 . A A . 52 HIS C 1 1 11 8538 1 1 50 HIS CA C -5.024 7.744 -5.382 1.00 . A A . 52 HIS CA 1 1 11 8539 1 1 50 HIS CB C -6.400 8.411 -5.594 1.00 . A A . 52 HIS CB 1 1 11 8540 1 1 50 HIS CD2 C -7.638 8.871 -3.324 1.00 . A A . 52 HIS CD2 1 1 11 8541 1 1 50 HIS CE1 C -8.768 7.028 -3.196 1.00 . A A . 52 HIS CE1 1 1 11 8542 1 1 50 HIS CG C -7.323 8.133 -4.437 1.00 . A A . 52 HIS CG 1 1 11 8543 1 1 50 HIS H H -4.862 5.606 -5.420 1.00 . A A . 52 HIS H 1 1 11 8544 1 1 50 HIS HA H -4.269 8.339 -5.872 1.00 . A A . 52 HIS HA 1 1 11 8545 1 1 50 HIS HB2 H -6.266 9.478 -5.689 1.00 . A A . 52 HIS HB2 1 1 11 8546 1 1 50 HIS HB3 H -6.841 8.029 -6.503 1.00 . A A . 52 HIS HB3 1 1 11 8547 1 1 50 HIS HD1 H -8.054 6.218 -4.974 1.00 . A A . 52 HIS HD1 1 1 11 8548 1 1 50 HIS HD2 H -7.238 9.846 -3.090 1.00 . A A . 52 HIS HD2 1 1 11 8549 1 1 50 HIS HE1 H -9.437 6.253 -2.852 1.00 . A A . 52 HIS HE1 1 1 11 8550 1 1 50 HIS N N -5.026 6.387 -5.983 1.00 . A A . 52 HIS N 1 1 11 8551 1 1 50 HIS ND1 N -8.056 6.961 -4.335 1.00 . A A . 52 HIS ND1 1 1 11 8552 1 1 50 HIS NE2 N -8.551 8.171 -2.542 1.00 . A A . 52 HIS NE2 1 1 11 8553 1 1 50 HIS O O -5.435 7.146 -3.082 1.00 . A A . 52 HIS O 1 1 11 8554 1 1 51 PHE C C -4.262 8.526 -1.220 1.00 . A A . 53 PHE C 1 1 11 8555 1 1 51 PHE CA C -3.098 8.084 -2.110 1.00 . A A . 53 PHE CA 1 1 11 8556 1 1 51 PHE CB C -1.927 9.048 -1.913 1.00 . A A . 53 PHE CB 1 1 11 8557 1 1 51 PHE CD1 C -0.454 8.621 -3.911 1.00 . A A . 53 PHE CD1 1 1 11 8558 1 1 51 PHE CD2 C 0.262 7.808 -1.742 1.00 . A A . 53 PHE CD2 1 1 11 8559 1 1 51 PHE CE1 C 0.706 8.099 -4.491 1.00 . A A . 53 PHE CE1 1 1 11 8560 1 1 51 PHE CE2 C 1.424 7.284 -2.323 1.00 . A A . 53 PHE CE2 1 1 11 8561 1 1 51 PHE CG C -0.677 8.477 -2.537 1.00 . A A . 53 PHE CG 1 1 11 8562 1 1 51 PHE CZ C 1.646 7.430 -3.698 1.00 . A A . 53 PHE CZ 1 1 11 8563 1 1 51 PHE H H -2.933 8.510 -4.204 1.00 . A A . 53 PHE H 1 1 11 8564 1 1 51 PHE HA H -2.793 7.081 -1.846 1.00 . A A . 53 PHE HA 1 1 11 8565 1 1 51 PHE HB2 H -2.161 9.993 -2.381 1.00 . A A . 53 PHE HB2 1 1 11 8566 1 1 51 PHE HB3 H -1.765 9.200 -0.863 1.00 . A A . 53 PHE HB3 1 1 11 8567 1 1 51 PHE HD1 H -1.180 9.137 -4.524 1.00 . A A . 53 PHE HD1 1 1 11 8568 1 1 51 PHE HD2 H 0.090 7.697 -0.682 1.00 . A A . 53 PHE HD2 1 1 11 8569 1 1 51 PHE HE1 H 0.878 8.212 -5.552 1.00 . A A . 53 PHE HE1 1 1 11 8570 1 1 51 PHE HE2 H 2.150 6.767 -1.711 1.00 . A A . 53 PHE HE2 1 1 11 8571 1 1 51 PHE HZ H 2.541 7.025 -4.145 1.00 . A A . 53 PHE HZ 1 1 11 8572 1 1 51 PHE N N -3.523 8.125 -3.532 1.00 . A A . 53 PHE N 1 1 11 8573 1 1 51 PHE O O -4.468 9.704 -0.998 1.00 . A A . 53 PHE O 1 1 11 8574 1 1 52 GLY C C -7.256 6.914 0.084 1.00 . A A . 54 GLY C 1 1 11 8575 1 1 52 GLY CA C -6.172 7.987 0.163 1.00 . A A . 54 GLY CA 1 1 11 8576 1 1 52 GLY H H -4.847 6.656 -0.898 1.00 . A A . 54 GLY H 1 1 11 8577 1 1 52 GLY HA2 H -5.833 8.085 1.184 1.00 . A A . 54 GLY HA2 1 1 11 8578 1 1 52 GLY HA3 H -6.578 8.929 -0.173 1.00 . A A . 54 GLY HA3 1 1 11 8579 1 1 52 GLY N N -5.025 7.602 -0.709 1.00 . A A . 54 GLY N 1 1 11 8580 1 1 52 GLY O O -7.149 5.965 -0.666 1.00 . A A . 54 GLY O 1 1 11 8581 1 1 53 LYS C C -10.286 6.309 -0.404 1.00 . A A . 55 LYS C 1 1 11 8582 1 1 53 LYS CA C -9.393 6.038 0.808 1.00 . A A . 55 LYS CA 1 1 11 8583 1 1 53 LYS CB C -10.225 6.122 2.089 1.00 . A A . 55 LYS CB 1 1 11 8584 1 1 53 LYS CD C -11.917 7.467 3.343 1.00 . A A . 55 LYS CD 1 1 11 8585 1 1 53 LYS CE C -13.377 7.696 2.945 1.00 . A A . 55 LYS CE 1 1 11 8586 1 1 53 LYS CG C -11.046 7.414 2.085 1.00 . A A . 55 LYS CG 1 1 11 8587 1 1 53 LYS H H -8.377 7.827 1.446 1.00 . A A . 55 LYS H 1 1 11 8588 1 1 53 LYS HA H -8.959 5.051 0.721 1.00 . A A . 55 LYS HA 1 1 11 8589 1 1 53 LYS HB2 H -10.890 5.273 2.142 1.00 . A A . 55 LYS HB2 1 1 11 8590 1 1 53 LYS HB3 H -9.567 6.117 2.945 1.00 . A A . 55 LYS HB3 1 1 11 8591 1 1 53 LYS HD2 H -11.833 6.533 3.879 1.00 . A A . 55 LYS HD2 1 1 11 8592 1 1 53 LYS HD3 H -11.589 8.278 3.977 1.00 . A A . 55 LYS HD3 1 1 11 8593 1 1 53 LYS HE2 H -13.768 8.547 3.484 1.00 . A A . 55 LYS HE2 1 1 11 8594 1 1 53 LYS HE3 H -13.437 7.883 1.883 1.00 . A A . 55 LYS HE3 1 1 11 8595 1 1 53 LYS HG2 H -10.377 8.265 2.074 1.00 . A A . 55 LYS HG2 1 1 11 8596 1 1 53 LYS HG3 H -11.675 7.439 1.210 1.00 . A A . 55 LYS HG3 1 1 11 8597 1 1 53 LYS HZ1 H -13.548 5.661 3.347 1.00 . A A . 55 LYS HZ1 1 1 11 8598 1 1 53 LYS HZ2 H -14.888 6.322 2.540 1.00 . A A . 55 LYS HZ2 1 1 11 8599 1 1 53 LYS HZ3 H -14.654 6.626 4.196 1.00 . A A . 55 LYS HZ3 1 1 11 8600 1 1 53 LYS N N -8.305 7.055 0.849 1.00 . A A . 55 LYS N 1 1 11 8601 1 1 53 LYS NZ N -14.177 6.486 3.282 1.00 . A A . 55 LYS NZ 1 1 11 8602 1 1 53 LYS O O -10.231 7.364 -1.003 1.00 . A A . 55 LYS O 1 1 11 8603 1 1 54 CYS C C -13.401 5.927 -1.482 1.00 . A A . 56 CYS C 1 1 11 8604 1 1 54 CYS CA C -11.990 5.572 -1.956 1.00 . A A . 56 CYS CA 1 1 11 8605 1 1 54 CYS CB C -12.037 4.290 -2.789 1.00 . A A . 56 CYS CB 1 1 11 8606 1 1 54 CYS H H -11.133 4.517 -0.284 1.00 . A A . 56 CYS H 1 1 11 8607 1 1 54 CYS HA H -11.596 6.377 -2.559 1.00 . A A . 56 CYS HA 1 1 11 8608 1 1 54 CYS HB2 H -12.220 3.446 -2.140 1.00 . A A . 56 CYS HB2 1 1 11 8609 1 1 54 CYS HB3 H -12.830 4.362 -3.519 1.00 . A A . 56 CYS HB3 1 1 11 8610 1 1 54 CYS N N -11.104 5.364 -0.776 1.00 . A A . 56 CYS N 1 1 11 8611 1 1 54 CYS O O -13.586 7.041 -1.018 1.00 . A A . 56 CYS O 1 1 11 8612 1 1 54 CYS OXT O -14.272 5.081 -1.594 1.00 . A A . 56 CYS OXT 1 1 11 8613 1 1 54 CYS SG S -10.453 4.064 -3.637 1.00 . A A . 56 CYS SG 1 1 12 8614 1 1 1 ALA C C 5.337 2.107 -9.600 1.00 . A A . 3 ALA C 1 1 12 8615 1 1 1 ALA CA C 6.644 1.320 -9.506 1.00 . A A . 3 ALA CA 1 1 12 8616 1 1 1 ALA CB C 6.350 -0.103 -9.027 1.00 . A A . 3 ALA CB 1 1 12 8617 1 1 1 ALA H1 H 8.460 2.214 -9.013 1.00 . A A . 3 ALA H1 1 1 12 8618 1 1 1 ALA H2 H 7.739 1.359 -7.734 1.00 . A A . 3 ALA H2 1 1 12 8619 1 1 1 ALA H3 H 7.124 2.872 -8.202 1.00 . A A . 3 ALA H3 1 1 12 8620 1 1 1 ALA HA H 7.111 1.282 -10.479 1.00 . A A . 3 ALA HA 1 1 12 8621 1 1 1 ALA HB1 H 5.687 -0.588 -9.728 1.00 . A A . 3 ALA HB1 1 1 12 8622 1 1 1 ALA HB2 H 5.882 -0.066 -8.055 1.00 . A A . 3 ALA HB2 1 1 12 8623 1 1 1 ALA HB3 H 7.274 -0.659 -8.962 1.00 . A A . 3 ALA HB3 1 1 12 8624 1 1 1 ALA N N 7.561 1.992 -8.541 1.00 . A A . 3 ALA N 1 1 12 8625 1 1 1 ALA O O 4.932 2.533 -10.662 1.00 . A A . 3 ALA O 1 1 12 8626 1 1 2 VAL C C 3.647 4.502 -8.061 1.00 . A A . 4 VAL C 1 1 12 8627 1 1 2 VAL CA C 3.392 3.068 -8.523 1.00 . A A . 4 VAL CA 1 1 12 8628 1 1 2 VAL CB C 2.355 2.419 -7.593 1.00 . A A . 4 VAL CB 1 1 12 8629 1 1 2 VAL CG1 C 1.090 2.105 -8.390 1.00 . A A . 4 VAL CG1 1 1 12 8630 1 1 2 VAL CG2 C 2.906 1.122 -6.990 1.00 . A A . 4 VAL CG2 1 1 12 8631 1 1 2 VAL H H 5.016 1.955 -7.644 1.00 . A A . 4 VAL H 1 1 12 8632 1 1 2 VAL HA H 3.007 3.083 -9.530 1.00 . A A . 4 VAL HA 1 1 12 8633 1 1 2 VAL HB H 2.108 3.109 -6.798 1.00 . A A . 4 VAL HB 1 1 12 8634 1 1 2 VAL HG11 H 0.909 1.040 -8.376 1.00 . A A . 4 VAL HG11 1 1 12 8635 1 1 2 VAL HG12 H 1.216 2.435 -9.411 1.00 . A A . 4 VAL HG12 1 1 12 8636 1 1 2 VAL HG13 H 0.251 2.619 -7.948 1.00 . A A . 4 VAL HG13 1 1 12 8637 1 1 2 VAL HG21 H 2.129 0.626 -6.429 1.00 . A A . 4 VAL HG21 1 1 12 8638 1 1 2 VAL HG22 H 3.733 1.354 -6.333 1.00 . A A . 4 VAL HG22 1 1 12 8639 1 1 2 VAL HG23 H 3.250 0.473 -7.782 1.00 . A A . 4 VAL HG23 1 1 12 8640 1 1 2 VAL N N 4.673 2.305 -8.493 1.00 . A A . 4 VAL N 1 1 12 8641 1 1 2 VAL O O 3.763 5.411 -8.858 1.00 . A A . 4 VAL O 1 1 12 8642 1 1 3 SER C C 4.874 6.006 -5.022 1.00 . A A . 5 SER C 1 1 12 8643 1 1 3 SER CA C 3.972 6.081 -6.256 1.00 . A A . 5 SER CA 1 1 12 8644 1 1 3 SER CB C 2.631 6.715 -5.879 1.00 . A A . 5 SER CB 1 1 12 8645 1 1 3 SER H H 3.627 3.959 -6.156 1.00 . A A . 5 SER H 1 1 12 8646 1 1 3 SER HA H 4.449 6.678 -7.018 1.00 . A A . 5 SER HA 1 1 12 8647 1 1 3 SER HB2 H 2.166 7.132 -6.757 1.00 . A A . 5 SER HB2 1 1 12 8648 1 1 3 SER HB3 H 1.983 5.955 -5.462 1.00 . A A . 5 SER HB3 1 1 12 8649 1 1 3 SER HG H 2.105 7.752 -4.320 1.00 . A A . 5 SER HG 1 1 12 8650 1 1 3 SER N N 3.730 4.708 -6.779 1.00 . A A . 5 SER N 1 1 12 8651 1 1 3 SER O O 5.048 6.974 -4.308 1.00 . A A . 5 SER O 1 1 12 8652 1 1 3 SER OG O 2.849 7.746 -4.926 1.00 . A A . 5 SER OG 1 1 12 8653 1 1 4 VAL C C 7.222 3.475 -3.765 1.00 . A A . 6 VAL C 1 1 12 8654 1 1 4 VAL CA C 6.344 4.716 -3.583 1.00 . A A . 6 VAL CA 1 1 12 8655 1 1 4 VAL CB C 5.493 4.552 -2.320 1.00 . A A . 6 VAL CB 1 1 12 8656 1 1 4 VAL CG1 C 4.914 5.907 -1.911 1.00 . A A . 6 VAL CG1 1 1 12 8657 1 1 4 VAL CG2 C 4.349 3.576 -2.604 1.00 . A A . 6 VAL CG2 1 1 12 8658 1 1 4 VAL H H 5.297 4.096 -5.358 1.00 . A A . 6 VAL H 1 1 12 8659 1 1 4 VAL HA H 6.967 5.592 -3.486 1.00 . A A . 6 VAL HA 1 1 12 8660 1 1 4 VAL HB H 6.107 4.167 -1.519 1.00 . A A . 6 VAL HB 1 1 12 8661 1 1 4 VAL HG11 H 4.132 6.188 -2.599 1.00 . A A . 6 VAL HG11 1 1 12 8662 1 1 4 VAL HG12 H 5.696 6.654 -1.933 1.00 . A A . 6 VAL HG12 1 1 12 8663 1 1 4 VAL HG13 H 4.509 5.840 -0.913 1.00 . A A . 6 VAL HG13 1 1 12 8664 1 1 4 VAL HG21 H 3.596 3.669 -1.836 1.00 . A A . 6 VAL HG21 1 1 12 8665 1 1 4 VAL HG22 H 4.733 2.565 -2.609 1.00 . A A . 6 VAL HG22 1 1 12 8666 1 1 4 VAL HG23 H 3.913 3.801 -3.566 1.00 . A A . 6 VAL HG23 1 1 12 8667 1 1 4 VAL N N 5.451 4.862 -4.767 1.00 . A A . 6 VAL N 1 1 12 8668 1 1 4 VAL O O 6.923 2.605 -4.559 1.00 . A A . 6 VAL O 1 1 12 8669 1 1 5 ASP C C 8.755 1.105 -2.206 1.00 . A A . 7 ASP C 1 1 12 8670 1 1 5 ASP CA C 9.196 2.198 -3.182 1.00 . A A . 7 ASP CA 1 1 12 8671 1 1 5 ASP CB C 10.641 2.600 -2.878 1.00 . A A . 7 ASP CB 1 1 12 8672 1 1 5 ASP CG C 11.598 1.615 -3.552 1.00 . A A . 7 ASP CG 1 1 12 8673 1 1 5 ASP H H 8.531 4.098 -2.407 1.00 . A A . 7 ASP H 1 1 12 8674 1 1 5 ASP HA H 9.133 1.823 -4.193 1.00 . A A . 7 ASP HA 1 1 12 8675 1 1 5 ASP HB2 H 10.825 3.597 -3.255 1.00 . A A . 7 ASP HB2 1 1 12 8676 1 1 5 ASP HB3 H 10.803 2.582 -1.811 1.00 . A A . 7 ASP HB3 1 1 12 8677 1 1 5 ASP N N 8.305 3.386 -3.041 1.00 . A A . 7 ASP N 1 1 12 8678 1 1 5 ASP O O 8.633 1.329 -1.018 1.00 . A A . 7 ASP O 1 1 12 8679 1 1 5 ASP OD1 O 11.523 1.481 -4.762 1.00 . A A . 7 ASP OD1 1 1 12 8680 1 1 5 ASP OD2 O 12.389 1.012 -2.846 1.00 . A A . 7 ASP OD2 1 1 12 8681 1 1 6 CYS C C 9.161 -2.286 -1.813 1.00 . A A . 8 CYS C 1 1 12 8682 1 1 6 CYS CA C 8.091 -1.194 -1.808 1.00 . A A . 8 CYS CA 1 1 12 8683 1 1 6 CYS CB C 6.771 -1.772 -2.317 1.00 . A A . 8 CYS CB 1 1 12 8684 1 1 6 CYS H H 8.628 -0.238 -3.660 1.00 . A A . 8 CYS H 1 1 12 8685 1 1 6 CYS HA H 7.960 -0.823 -0.802 1.00 . A A . 8 CYS HA 1 1 12 8686 1 1 6 CYS HB2 H 6.864 -2.013 -3.366 1.00 . A A . 8 CYS HB2 1 1 12 8687 1 1 6 CYS HB3 H 6.531 -2.667 -1.761 1.00 . A A . 8 CYS HB3 1 1 12 8688 1 1 6 CYS N N 8.521 -0.080 -2.700 1.00 . A A . 8 CYS N 1 1 12 8689 1 1 6 CYS O O 8.869 -3.456 -1.667 1.00 . A A . 8 CYS O 1 1 12 8690 1 1 6 CYS SG S 5.452 -0.550 -2.094 1.00 . A A . 8 CYS SG 1 1 12 8691 1 1 7 SER C C 11.789 -3.377 -0.565 1.00 . A A . 9 SER C 1 1 12 8692 1 1 7 SER CA C 11.489 -2.928 -1.997 1.00 . A A . 9 SER CA 1 1 12 8693 1 1 7 SER CB C 12.746 -2.316 -2.614 1.00 . A A . 9 SER CB 1 1 12 8694 1 1 7 SER H H 10.613 -0.963 -2.098 1.00 . A A . 9 SER H 1 1 12 8695 1 1 7 SER HA H 11.177 -3.780 -2.583 1.00 . A A . 9 SER HA 1 1 12 8696 1 1 7 SER HB2 H 13.392 -3.100 -2.973 1.00 . A A . 9 SER HB2 1 1 12 8697 1 1 7 SER HB3 H 12.463 -1.678 -3.442 1.00 . A A . 9 SER HB3 1 1 12 8698 1 1 7 SER HG H 14.374 -1.694 -1.752 1.00 . A A . 9 SER HG 1 1 12 8699 1 1 7 SER N N 10.400 -1.913 -1.982 1.00 . A A . 9 SER N 1 1 12 8700 1 1 7 SER O O 12.527 -4.316 -0.340 1.00 . A A . 9 SER O 1 1 12 8701 1 1 7 SER OG O 13.432 -1.559 -1.628 1.00 . A A . 9 SER OG 1 1 12 8702 1 1 8 GLU C C 10.370 -4.064 2.278 1.00 . A A . 10 GLU C 1 1 12 8703 1 1 8 GLU CA C 11.471 -3.107 1.822 1.00 . A A . 10 GLU CA 1 1 12 8704 1 1 8 GLU CB C 11.464 -1.856 2.706 1.00 . A A . 10 GLU CB 1 1 12 8705 1 1 8 GLU CD C 10.050 0.140 3.239 1.00 . A A . 10 GLU CD 1 1 12 8706 1 1 8 GLU CG C 10.029 -1.341 2.850 1.00 . A A . 10 GLU CG 1 1 12 8707 1 1 8 GLU H H 10.627 -1.963 0.205 1.00 . A A . 10 GLU H 1 1 12 8708 1 1 8 GLU HA H 12.430 -3.596 1.896 1.00 . A A . 10 GLU HA 1 1 12 8709 1 1 8 GLU HB2 H 11.859 -2.103 3.680 1.00 . A A . 10 GLU HB2 1 1 12 8710 1 1 8 GLU HB3 H 12.074 -1.090 2.253 1.00 . A A . 10 GLU HB3 1 1 12 8711 1 1 8 GLU HG2 H 9.509 -1.461 1.911 1.00 . A A . 10 GLU HG2 1 1 12 8712 1 1 8 GLU HG3 H 9.522 -1.905 3.619 1.00 . A A . 10 GLU HG3 1 1 12 8713 1 1 8 GLU N N 11.221 -2.715 0.406 1.00 . A A . 10 GLU N 1 1 12 8714 1 1 8 GLU O O 9.873 -3.975 3.383 1.00 . A A . 10 GLU O 1 1 12 8715 1 1 8 GLU OE1 O 10.448 0.942 2.411 1.00 . A A . 10 GLU OE1 1 1 12 8716 1 1 8 GLU OE2 O 9.669 0.444 4.355 1.00 . A A . 10 GLU OE2 1 1 12 8717 1 1 9 TYR C C 9.271 -7.337 1.336 1.00 . A A . 11 TYR C 1 1 12 8718 1 1 9 TYR CA C 8.895 -5.927 1.804 1.00 . A A . 11 TYR CA 1 1 12 8719 1 1 9 TYR CB C 7.595 -5.480 1.130 1.00 . A A . 11 TYR CB 1 1 12 8720 1 1 9 TYR CD1 C 7.619 -3.040 1.759 1.00 . A A . 11 TYR CD1 1 1 12 8721 1 1 9 TYR CD2 C 5.918 -4.473 2.725 1.00 . A A . 11 TYR CD2 1 1 12 8722 1 1 9 TYR CE1 C 7.100 -1.948 2.464 1.00 . A A . 11 TYR CE1 1 1 12 8723 1 1 9 TYR CE2 C 5.399 -3.380 3.431 1.00 . A A . 11 TYR CE2 1 1 12 8724 1 1 9 TYR CG C 7.028 -4.303 1.887 1.00 . A A . 11 TYR CG 1 1 12 8725 1 1 9 TYR CZ C 5.991 -2.118 3.301 1.00 . A A . 11 TYR CZ 1 1 12 8726 1 1 9 TYR H H 10.381 -5.017 0.538 1.00 . A A . 11 TYR H 1 1 12 8727 1 1 9 TYR HA H 8.766 -5.923 2.877 1.00 . A A . 11 TYR HA 1 1 12 8728 1 1 9 TYR HB2 H 7.802 -5.187 0.111 1.00 . A A . 11 TYR HB2 1 1 12 8729 1 1 9 TYR HB3 H 6.883 -6.290 1.133 1.00 . A A . 11 TYR HB3 1 1 12 8730 1 1 9 TYR HD1 H 8.475 -2.909 1.112 1.00 . A A . 11 TYR HD1 1 1 12 8731 1 1 9 TYR HD2 H 5.462 -5.447 2.824 1.00 . A A . 11 TYR HD2 1 1 12 8732 1 1 9 TYR HE1 H 7.557 -0.975 2.363 1.00 . A A . 11 TYR HE1 1 1 12 8733 1 1 9 TYR HE2 H 4.543 -3.512 4.076 1.00 . A A . 11 TYR HE2 1 1 12 8734 1 1 9 TYR HH H 5.927 -0.248 3.688 1.00 . A A . 11 TYR HH 1 1 12 8735 1 1 9 TYR N N 9.975 -4.971 1.428 1.00 . A A . 11 TYR N 1 1 12 8736 1 1 9 TYR O O 10.144 -7.497 0.508 1.00 . A A . 11 TYR O 1 1 12 8737 1 1 9 TYR OH O 5.484 -1.041 3.997 1.00 . A A . 11 TYR OH 1 1 12 8738 1 1 10 PRO C C 8.143 -7.894 4.282 1.00 . A A . 12 PRO C 1 1 12 8739 1 1 10 PRO CA C 7.538 -8.122 2.893 1.00 . A A . 12 PRO CA 1 1 12 8740 1 1 10 PRO CB C 6.760 -9.440 2.852 1.00 . A A . 12 PRO CB 1 1 12 8741 1 1 10 PRO CD C 8.840 -9.735 1.534 1.00 . A A . 12 PRO CD 1 1 12 8742 1 1 10 PRO CG C 7.728 -10.504 2.276 1.00 . A A . 12 PRO CG 1 1 12 8743 1 1 10 PRO HA H 6.893 -7.308 2.619 1.00 . A A . 12 PRO HA 1 1 12 8744 1 1 10 PRO HB2 H 6.450 -9.718 3.851 1.00 . A A . 12 PRO HB2 1 1 12 8745 1 1 10 PRO HB3 H 5.901 -9.346 2.208 1.00 . A A . 12 PRO HB3 1 1 12 8746 1 1 10 PRO HD2 H 9.813 -10.053 1.882 1.00 . A A . 12 PRO HD2 1 1 12 8747 1 1 10 PRO HD3 H 8.751 -9.875 0.469 1.00 . A A . 12 PRO HD3 1 1 12 8748 1 1 10 PRO HG2 H 8.151 -11.089 3.079 1.00 . A A . 12 PRO HG2 1 1 12 8749 1 1 10 PRO HG3 H 7.204 -11.144 1.584 1.00 . A A . 12 PRO HG3 1 1 12 8750 1 1 10 PRO N N 8.599 -8.320 1.884 1.00 . A A . 12 PRO N 1 1 12 8751 1 1 10 PRO O O 9.265 -8.269 4.552 1.00 . A A . 12 PRO O 1 1 12 8752 1 1 11 LYS C C 7.466 -8.165 7.466 1.00 . A A . 13 LYS C 1 1 12 8753 1 1 11 LYS CA C 7.916 -7.031 6.537 1.00 . A A . 13 LYS CA 1 1 12 8754 1 1 11 LYS CB C 7.359 -5.701 7.048 1.00 . A A . 13 LYS CB 1 1 12 8755 1 1 11 LYS CD C 7.188 -3.336 6.266 1.00 . A A . 13 LYS CD 1 1 12 8756 1 1 11 LYS CE C 6.722 -2.897 7.656 1.00 . A A . 13 LYS CE 1 1 12 8757 1 1 11 LYS CG C 8.119 -4.542 6.401 1.00 . A A . 13 LYS CG 1 1 12 8758 1 1 11 LYS H H 6.494 -6.995 4.921 1.00 . A A . 13 LYS H 1 1 12 8759 1 1 11 LYS HA H 8.995 -6.987 6.515 1.00 . A A . 13 LYS HA 1 1 12 8760 1 1 11 LYS HB2 H 6.310 -5.630 6.793 1.00 . A A . 13 LYS HB2 1 1 12 8761 1 1 11 LYS HB3 H 7.471 -5.650 8.120 1.00 . A A . 13 LYS HB3 1 1 12 8762 1 1 11 LYS HD2 H 7.717 -2.524 5.787 1.00 . A A . 13 LYS HD2 1 1 12 8763 1 1 11 LYS HD3 H 6.330 -3.609 5.670 1.00 . A A . 13 LYS HD3 1 1 12 8764 1 1 11 LYS HE2 H 5.653 -2.739 7.642 1.00 . A A . 13 LYS HE2 1 1 12 8765 1 1 11 LYS HE3 H 6.964 -3.665 8.375 1.00 . A A . 13 LYS HE3 1 1 12 8766 1 1 11 LYS HG2 H 8.966 -4.278 7.019 1.00 . A A . 13 LYS HG2 1 1 12 8767 1 1 11 LYS HG3 H 8.465 -4.839 5.422 1.00 . A A . 13 LYS HG3 1 1 12 8768 1 1 11 LYS HZ1 H 7.245 -0.914 7.295 1.00 . A A . 13 LYS HZ1 1 1 12 8769 1 1 11 LYS HZ2 H 8.430 -1.803 8.125 1.00 . A A . 13 LYS HZ2 1 1 12 8770 1 1 11 LYS HZ3 H 7.030 -1.285 8.935 1.00 . A A . 13 LYS HZ3 1 1 12 8771 1 1 11 LYS N N 7.397 -7.285 5.163 1.00 . A A . 13 LYS N 1 1 12 8772 1 1 11 LYS NZ N 7.409 -1.629 8.031 1.00 . A A . 13 LYS NZ 1 1 12 8773 1 1 11 LYS O O 6.557 -8.902 7.144 1.00 . A A . 13 LYS O 1 1 12 8774 1 1 12 PRO C C 6.561 -8.914 10.395 1.00 . A A . 14 PRO C 1 1 12 8775 1 1 12 PRO CA C 7.811 -9.301 9.599 1.00 . A A . 14 PRO CA 1 1 12 8776 1 1 12 PRO CB C 9.053 -9.312 10.496 1.00 . A A . 14 PRO CB 1 1 12 8777 1 1 12 PRO CD C 9.227 -7.363 8.979 1.00 . A A . 14 PRO CD 1 1 12 8778 1 1 12 PRO CG C 9.736 -7.936 10.315 1.00 . A A . 14 PRO CG 1 1 12 8779 1 1 12 PRO HA H 7.685 -10.262 9.132 1.00 . A A . 14 PRO HA 1 1 12 8780 1 1 12 PRO HB2 H 8.762 -9.454 11.529 1.00 . A A . 14 PRO HB2 1 1 12 8781 1 1 12 PRO HB3 H 9.727 -10.094 10.188 1.00 . A A . 14 PRO HB3 1 1 12 8782 1 1 12 PRO HD2 H 8.865 -6.353 9.116 1.00 . A A . 14 PRO HD2 1 1 12 8783 1 1 12 PRO HD3 H 10.005 -7.391 8.233 1.00 . A A . 14 PRO HD3 1 1 12 8784 1 1 12 PRO HG2 H 9.464 -7.277 11.131 1.00 . A A . 14 PRO HG2 1 1 12 8785 1 1 12 PRO HG3 H 10.807 -8.054 10.275 1.00 . A A . 14 PRO HG3 1 1 12 8786 1 1 12 PRO N N 8.120 -8.266 8.597 1.00 . A A . 14 PRO N 1 1 12 8787 1 1 12 PRO O O 5.980 -9.721 11.090 1.00 . A A . 14 PRO O 1 1 12 8788 1 1 13 ALA C C 4.445 -5.909 10.469 1.00 . A A . 15 ALA C 1 1 12 8789 1 1 13 ALA CA C 4.933 -7.241 11.038 1.00 . A A . 15 ALA CA 1 1 12 8790 1 1 13 ALA CB C 5.278 -7.067 12.518 1.00 . A A . 15 ALA CB 1 1 12 8791 1 1 13 ALA H H 6.628 -7.046 9.725 1.00 . A A . 15 ALA H 1 1 12 8792 1 1 13 ALA HA H 4.155 -7.984 10.934 1.00 . A A . 15 ALA HA 1 1 12 8793 1 1 13 ALA HB1 H 4.662 -7.726 13.110 1.00 . A A . 15 ALA HB1 1 1 12 8794 1 1 13 ALA HB2 H 5.098 -6.043 12.812 1.00 . A A . 15 ALA HB2 1 1 12 8795 1 1 13 ALA HB3 H 6.319 -7.308 12.674 1.00 . A A . 15 ALA HB3 1 1 12 8796 1 1 13 ALA N N 6.143 -7.681 10.294 1.00 . A A . 15 ALA N 1 1 12 8797 1 1 13 ALA O O 5.227 -5.092 10.023 1.00 . A A . 15 ALA O 1 1 12 8798 1 1 14 CYS C C 2.717 -3.314 11.010 1.00 . A A . 16 CYS C 1 1 12 8799 1 1 14 CYS CA C 2.638 -4.395 9.931 1.00 . A A . 16 CYS CA 1 1 12 8800 1 1 14 CYS CB C 1.185 -4.578 9.482 1.00 . A A . 16 CYS CB 1 1 12 8801 1 1 14 CYS H H 2.544 -6.347 10.839 1.00 . A A . 16 CYS H 1 1 12 8802 1 1 14 CYS HA H 3.242 -4.099 9.089 1.00 . A A . 16 CYS HA 1 1 12 8803 1 1 14 CYS HB2 H 1.062 -5.560 9.050 1.00 . A A . 16 CYS HB2 1 1 12 8804 1 1 14 CYS HB3 H 0.528 -4.475 10.332 1.00 . A A . 16 CYS HB3 1 1 12 8805 1 1 14 CYS N N 3.161 -5.678 10.476 1.00 . A A . 16 CYS N 1 1 12 8806 1 1 14 CYS O O 2.321 -3.519 12.141 1.00 . A A . 16 CYS O 1 1 12 8807 1 1 14 CYS SG S 0.766 -3.326 8.245 1.00 . A A . 16 CYS SG 1 1 12 8808 1 1 15 THR C C 1.984 -0.399 11.847 1.00 . A A . 17 THR C 1 1 12 8809 1 1 15 THR CA C 3.347 -1.066 11.668 1.00 . A A . 17 THR CA 1 1 12 8810 1 1 15 THR CB C 4.360 -0.028 11.180 1.00 . A A . 17 THR CB 1 1 12 8811 1 1 15 THR CG2 C 5.562 -0.003 12.123 1.00 . A A . 17 THR CG2 1 1 12 8812 1 1 15 THR H H 3.547 -2.028 9.750 1.00 . A A . 17 THR H 1 1 12 8813 1 1 15 THR HA H 3.675 -1.472 12.614 1.00 . A A . 17 THR HA 1 1 12 8814 1 1 15 THR HB H 3.899 0.948 11.169 1.00 . A A . 17 THR HB 1 1 12 8815 1 1 15 THR HG1 H 4.890 0.455 9.372 1.00 . A A . 17 THR HG1 1 1 12 8816 1 1 15 THR HG21 H 6.172 0.862 11.908 1.00 . A A . 17 THR HG21 1 1 12 8817 1 1 15 THR HG22 H 6.149 -0.899 11.982 1.00 . A A . 17 THR HG22 1 1 12 8818 1 1 15 THR HG23 H 5.218 0.043 13.145 1.00 . A A . 17 THR HG23 1 1 12 8819 1 1 15 THR N N 3.232 -2.165 10.667 1.00 . A A . 17 THR N 1 1 12 8820 1 1 15 THR O O 1.087 -0.571 11.046 1.00 . A A . 17 THR O 1 1 12 8821 1 1 15 THR OG1 O 4.791 -0.362 9.868 1.00 . A A . 17 THR OG1 1 1 12 8822 1 1 16 MET C C 0.549 2.434 12.486 1.00 . A A . 18 MET C 1 1 12 8823 1 1 16 MET CA C 0.513 1.041 13.119 1.00 . A A . 18 MET CA 1 1 12 8824 1 1 16 MET CB C 0.256 1.167 14.622 1.00 . A A . 18 MET CB 1 1 12 8825 1 1 16 MET CE C -2.339 -1.578 14.425 1.00 . A A . 18 MET CE 1 1 12 8826 1 1 16 MET CG C -0.127 -0.201 15.191 1.00 . A A . 18 MET CG 1 1 12 8827 1 1 16 MET H H 2.555 0.491 13.527 1.00 . A A . 18 MET H 1 1 12 8828 1 1 16 MET HA H -0.277 0.461 12.666 1.00 . A A . 18 MET HA 1 1 12 8829 1 1 16 MET HB2 H 1.150 1.524 15.112 1.00 . A A . 18 MET HB2 1 1 12 8830 1 1 16 MET HB3 H -0.551 1.863 14.792 1.00 . A A . 18 MET HB3 1 1 12 8831 1 1 16 MET HE1 H -2.668 -1.163 13.483 1.00 . A A . 18 MET HE1 1 1 12 8832 1 1 16 MET HE2 H -3.134 -2.165 14.855 1.00 . A A . 18 MET HE2 1 1 12 8833 1 1 16 MET HE3 H -1.474 -2.208 14.265 1.00 . A A . 18 MET HE3 1 1 12 8834 1 1 16 MET HG2 H 0.106 -0.970 14.471 1.00 . A A . 18 MET HG2 1 1 12 8835 1 1 16 MET HG3 H 0.429 -0.381 16.101 1.00 . A A . 18 MET HG3 1 1 12 8836 1 1 16 MET N N 1.819 0.362 12.893 1.00 . A A . 18 MET N 1 1 12 8837 1 1 16 MET O O -0.241 3.296 12.817 1.00 . A A . 18 MET O 1 1 12 8838 1 1 16 MET SD S -1.901 -0.232 15.555 1.00 . A A . 18 MET SD 1 1 12 8839 1 1 17 GLU C C 0.203 4.296 10.231 1.00 . A A . 19 GLU C 1 1 12 8840 1 1 17 GLU CA C 1.536 3.996 10.918 1.00 . A A . 19 GLU CA 1 1 12 8841 1 1 17 GLU CB C 2.659 3.990 9.878 1.00 . A A . 19 GLU CB 1 1 12 8842 1 1 17 GLU CD C 3.468 2.931 7.763 1.00 . A A . 19 GLU CD 1 1 12 8843 1 1 17 GLU CG C 2.428 2.852 8.883 1.00 . A A . 19 GLU CG 1 1 12 8844 1 1 17 GLU H H 2.081 1.950 11.317 1.00 . A A . 19 GLU H 1 1 12 8845 1 1 17 GLU HA H 1.736 4.752 11.661 1.00 . A A . 19 GLU HA 1 1 12 8846 1 1 17 GLU HB2 H 2.667 4.934 9.351 1.00 . A A . 19 GLU HB2 1 1 12 8847 1 1 17 GLU HB3 H 3.608 3.846 10.374 1.00 . A A . 19 GLU HB3 1 1 12 8848 1 1 17 GLU HG2 H 2.520 1.905 9.393 1.00 . A A . 19 GLU HG2 1 1 12 8849 1 1 17 GLU HG3 H 1.441 2.939 8.458 1.00 . A A . 19 GLU HG3 1 1 12 8850 1 1 17 GLU N N 1.456 2.659 11.572 1.00 . A A . 19 GLU N 1 1 12 8851 1 1 17 GLU O O -0.535 3.400 9.873 1.00 . A A . 19 GLU O 1 1 12 8852 1 1 17 GLU OE1 O 4.647 2.954 8.076 1.00 . A A . 19 GLU OE1 1 1 12 8853 1 1 17 GLU OE2 O 3.069 2.964 6.611 1.00 . A A . 19 GLU OE2 1 1 12 8854 1 1 18 TYR C C -1.146 6.368 7.955 1.00 . A A . 20 TYR C 1 1 12 8855 1 1 18 TYR CA C -1.405 5.893 9.384 1.00 . A A . 20 TYR CA 1 1 12 8856 1 1 18 TYR CB C -2.101 7.003 10.171 1.00 . A A . 20 TYR CB 1 1 12 8857 1 1 18 TYR CD1 C -4.420 7.002 9.182 1.00 . A A . 20 TYR CD1 1 1 12 8858 1 1 18 TYR CD2 C -4.107 6.129 11.422 1.00 . A A . 20 TYR CD2 1 1 12 8859 1 1 18 TYR CE1 C -5.789 6.726 9.266 1.00 . A A . 20 TYR CE1 1 1 12 8860 1 1 18 TYR CE2 C -5.477 5.853 11.506 1.00 . A A . 20 TYR CE2 1 1 12 8861 1 1 18 TYR CG C -3.578 6.704 10.261 1.00 . A A . 20 TYR CG 1 1 12 8862 1 1 18 TYR CZ C -6.318 6.151 10.428 1.00 . A A . 20 TYR CZ 1 1 12 8863 1 1 18 TYR H H 0.491 6.258 10.342 1.00 . A A . 20 TYR H 1 1 12 8864 1 1 18 TYR HA H -2.039 5.019 9.362 1.00 . A A . 20 TYR HA 1 1 12 8865 1 1 18 TYR HB2 H -1.684 7.055 11.163 1.00 . A A . 20 TYR HB2 1 1 12 8866 1 1 18 TYR HB3 H -1.957 7.946 9.667 1.00 . A A . 20 TYR HB3 1 1 12 8867 1 1 18 TYR HD1 H -4.012 7.445 8.286 1.00 . A A . 20 TYR HD1 1 1 12 8868 1 1 18 TYR HD2 H -3.458 5.899 12.255 1.00 . A A . 20 TYR HD2 1 1 12 8869 1 1 18 TYR HE1 H -6.439 6.956 8.434 1.00 . A A . 20 TYR HE1 1 1 12 8870 1 1 18 TYR HE2 H -5.884 5.408 12.403 1.00 . A A . 20 TYR HE2 1 1 12 8871 1 1 18 TYR HH H -7.777 5.051 10.983 1.00 . A A . 20 TYR HH 1 1 12 8872 1 1 18 TYR N N -0.115 5.547 10.045 1.00 . A A . 20 TYR N 1 1 12 8873 1 1 18 TYR O O -0.443 7.332 7.726 1.00 . A A . 20 TYR O 1 1 12 8874 1 1 18 TYR OH O -7.669 5.879 10.509 1.00 . A A . 20 TYR OH 1 1 12 8875 1 1 19 ARG C C -2.648 5.508 4.725 1.00 . A A . 21 ARG C 1 1 12 8876 1 1 19 ARG CA C -1.517 6.098 5.575 1.00 . A A . 21 ARG CA 1 1 12 8877 1 1 19 ARG CB C -0.172 5.566 5.078 1.00 . A A . 21 ARG CB 1 1 12 8878 1 1 19 ARG CD C 0.455 7.872 4.345 1.00 . A A . 21 ARG CD 1 1 12 8879 1 1 19 ARG CG C 0.883 6.668 5.188 1.00 . A A . 21 ARG CG 1 1 12 8880 1 1 19 ARG CZ C 0.545 10.260 4.740 1.00 . A A . 21 ARG CZ 1 1 12 8881 1 1 19 ARG H H -2.281 4.925 7.209 1.00 . A A . 21 ARG H 1 1 12 8882 1 1 19 ARG HA H -1.526 7.176 5.501 1.00 . A A . 21 ARG HA 1 1 12 8883 1 1 19 ARG HB2 H 0.126 4.720 5.683 1.00 . A A . 21 ARG HB2 1 1 12 8884 1 1 19 ARG HB3 H -0.263 5.257 4.048 1.00 . A A . 21 ARG HB3 1 1 12 8885 1 1 19 ARG HD2 H 1.202 8.066 3.591 1.00 . A A . 21 ARG HD2 1 1 12 8886 1 1 19 ARG HD3 H -0.491 7.658 3.868 1.00 . A A . 21 ARG HD3 1 1 12 8887 1 1 19 ARG HE H 0.041 8.961 6.157 1.00 . A A . 21 ARG HE 1 1 12 8888 1 1 19 ARG HG2 H 0.980 6.969 6.221 1.00 . A A . 21 ARG HG2 1 1 12 8889 1 1 19 ARG HG3 H 1.830 6.298 4.828 1.00 . A A . 21 ARG HG3 1 1 12 8890 1 1 19 ARG HH11 H -0.188 9.835 2.926 1.00 . A A . 21 ARG HH11 1 1 12 8891 1 1 19 ARG HH12 H 0.411 11.446 3.134 1.00 . A A . 21 ARG HH12 1 1 12 8892 1 1 19 ARG HH21 H 1.335 10.964 6.440 1.00 . A A . 21 ARG HH21 1 1 12 8893 1 1 19 ARG HH22 H 1.271 12.085 5.121 1.00 . A A . 21 ARG HH22 1 1 12 8894 1 1 19 ARG N N -1.715 5.696 6.995 1.00 . A A . 21 ARG N 1 1 12 8895 1 1 19 ARG NE N 0.311 9.069 5.221 1.00 . A A . 21 ARG NE 1 1 12 8896 1 1 19 ARG NH1 N 0.232 10.536 3.504 1.00 . A A . 21 ARG NH1 1 1 12 8897 1 1 19 ARG NH2 N 1.092 11.174 5.493 1.00 . A A . 21 ARG NH2 1 1 12 8898 1 1 19 ARG O O -2.663 4.324 4.454 1.00 . A A . 21 ARG O 1 1 12 8899 1 1 20 PRO C C -4.296 5.700 2.062 1.00 . A A . 22 PRO C 1 1 12 8900 1 1 20 PRO CA C -4.719 5.914 3.517 1.00 . A A . 22 PRO CA 1 1 12 8901 1 1 20 PRO CB C -5.703 7.080 3.636 1.00 . A A . 22 PRO CB 1 1 12 8902 1 1 20 PRO CD C -3.562 7.788 4.652 1.00 . A A . 22 PRO CD 1 1 12 8903 1 1 20 PRO CG C -4.864 8.320 4.028 1.00 . A A . 22 PRO CG 1 1 12 8904 1 1 20 PRO HA H -5.158 5.018 3.922 1.00 . A A . 22 PRO HA 1 1 12 8905 1 1 20 PRO HB2 H -6.196 7.244 2.689 1.00 . A A . 22 PRO HB2 1 1 12 8906 1 1 20 PRO HB3 H -6.430 6.875 4.407 1.00 . A A . 22 PRO HB3 1 1 12 8907 1 1 20 PRO HD2 H -2.703 8.272 4.206 1.00 . A A . 22 PRO HD2 1 1 12 8908 1 1 20 PRO HD3 H -3.567 7.931 5.721 1.00 . A A . 22 PRO HD3 1 1 12 8909 1 1 20 PRO HG2 H -4.644 8.909 3.146 1.00 . A A . 22 PRO HG2 1 1 12 8910 1 1 20 PRO HG3 H -5.398 8.918 4.749 1.00 . A A . 22 PRO HG3 1 1 12 8911 1 1 20 PRO N N -3.571 6.345 4.331 1.00 . A A . 22 PRO N 1 1 12 8912 1 1 20 PRO O O -4.036 6.640 1.338 1.00 . A A . 22 PRO O 1 1 12 8913 1 1 21 LEU C C -4.989 3.496 -0.495 1.00 . A A . 23 LEU C 1 1 12 8914 1 1 21 LEU CA C -3.839 4.201 0.216 1.00 . A A . 23 LEU CA 1 1 12 8915 1 1 21 LEU CB C -2.607 3.292 0.174 1.00 . A A . 23 LEU CB 1 1 12 8916 1 1 21 LEU CD1 C -0.385 3.219 1.312 1.00 . A A . 23 LEU CD1 1 1 12 8917 1 1 21 LEU CD2 C -0.679 4.573 -0.763 1.00 . A A . 23 LEU CD2 1 1 12 8918 1 1 21 LEU CG C -1.357 4.100 0.523 1.00 . A A . 23 LEU CG 1 1 12 8919 1 1 21 LEU H H -4.453 3.725 2.227 1.00 . A A . 23 LEU H 1 1 12 8920 1 1 21 LEU HA H -3.620 5.133 -0.286 1.00 . A A . 23 LEU HA 1 1 12 8921 1 1 21 LEU HB2 H -2.730 2.490 0.890 1.00 . A A . 23 LEU HB2 1 1 12 8922 1 1 21 LEU HB3 H -2.501 2.875 -0.824 1.00 . A A . 23 LEU HB3 1 1 12 8923 1 1 21 LEU HD11 H 0.521 3.078 0.741 1.00 . A A . 23 LEU HD11 1 1 12 8924 1 1 21 LEU HD12 H -0.842 2.259 1.504 1.00 . A A . 23 LEU HD12 1 1 12 8925 1 1 21 LEU HD13 H -0.147 3.697 2.252 1.00 . A A . 23 LEU HD13 1 1 12 8926 1 1 21 LEU HD21 H -1.081 5.534 -1.049 1.00 . A A . 23 LEU HD21 1 1 12 8927 1 1 21 LEU HD22 H -0.859 3.857 -1.550 1.00 . A A . 23 LEU HD22 1 1 12 8928 1 1 21 LEU HD23 H 0.383 4.663 -0.597 1.00 . A A . 23 LEU HD23 1 1 12 8929 1 1 21 LEU HG H -1.635 4.954 1.123 1.00 . A A . 23 LEU HG 1 1 12 8930 1 1 21 LEU N N -4.233 4.470 1.627 1.00 . A A . 23 LEU N 1 1 12 8931 1 1 21 LEU O O -5.305 2.362 -0.200 1.00 . A A . 23 LEU O 1 1 12 8932 1 1 22 CYS C C -6.138 2.706 -3.338 1.00 . A A . 24 CYS C 1 1 12 8933 1 1 22 CYS CA C -6.725 3.468 -2.154 1.00 . A A . 24 CYS CA 1 1 12 8934 1 1 22 CYS CB C -7.737 4.498 -2.657 1.00 . A A . 24 CYS CB 1 1 12 8935 1 1 22 CYS H H -5.345 5.054 -1.681 1.00 . A A . 24 CYS H 1 1 12 8936 1 1 22 CYS HA H -7.215 2.783 -1.480 1.00 . A A . 24 CYS HA 1 1 12 8937 1 1 22 CYS HB2 H -7.333 5.493 -2.541 1.00 . A A . 24 CYS HB2 1 1 12 8938 1 1 22 CYS HB3 H -7.955 4.314 -3.698 1.00 . A A . 24 CYS HB3 1 1 12 8939 1 1 22 CYS N N -5.613 4.141 -1.438 1.00 . A A . 24 CYS N 1 1 12 8940 1 1 22 CYS O O -5.866 3.275 -4.368 1.00 . A A . 24 CYS O 1 1 12 8941 1 1 22 CYS SG S -9.252 4.341 -1.687 1.00 . A A . 24 CYS SG 1 1 12 8942 1 1 23 GLY C C -6.035 0.905 -5.606 1.00 . A A . 25 GLY C 1 1 12 8943 1 1 23 GLY CA C -5.322 0.615 -4.284 1.00 . A A . 25 GLY CA 1 1 12 8944 1 1 23 GLY H H -6.133 0.999 -2.326 1.00 . A A . 25 GLY H 1 1 12 8945 1 1 23 GLY HA2 H -4.274 0.860 -4.382 1.00 . A A . 25 GLY HA2 1 1 12 8946 1 1 23 GLY HA3 H -5.423 -0.435 -4.051 1.00 . A A . 25 GLY HA3 1 1 12 8947 1 1 23 GLY N N -5.918 1.426 -3.180 1.00 . A A . 25 GLY N 1 1 12 8948 1 1 23 GLY O O -7.204 1.235 -5.636 1.00 . A A . 25 GLY O 1 1 12 8949 1 1 24 SER C C -7.141 0.051 -8.238 1.00 . A A . 26 SER C 1 1 12 8950 1 1 24 SER CA C -5.974 1.016 -8.034 1.00 . A A . 26 SER CA 1 1 12 8951 1 1 24 SER CB C -4.940 0.806 -9.137 1.00 . A A . 26 SER CB 1 1 12 8952 1 1 24 SER H H -4.397 0.475 -6.664 1.00 . A A . 26 SER H 1 1 12 8953 1 1 24 SER HA H -6.337 2.032 -8.071 1.00 . A A . 26 SER HA 1 1 12 8954 1 1 24 SER HB2 H -3.970 1.113 -8.787 1.00 . A A . 26 SER HB2 1 1 12 8955 1 1 24 SER HB3 H -4.908 -0.242 -9.406 1.00 . A A . 26 SER HB3 1 1 12 8956 1 1 24 SER HG H -4.536 1.625 -10.854 1.00 . A A . 26 SER HG 1 1 12 8957 1 1 24 SER N N -5.339 0.762 -6.708 1.00 . A A . 26 SER N 1 1 12 8958 1 1 24 SER O O -7.928 0.197 -9.153 1.00 . A A . 26 SER O 1 1 12 8959 1 1 24 SER OG O -5.295 1.588 -10.270 1.00 . A A . 26 SER OG 1 1 12 8960 1 1 25 ASP C C -9.614 -1.374 -6.812 1.00 . A A . 27 ASP C 1 1 12 8961 1 1 25 ASP CA C -8.375 -1.910 -7.533 1.00 . A A . 27 ASP CA 1 1 12 8962 1 1 25 ASP CB C -7.955 -3.244 -6.914 1.00 . A A . 27 ASP CB 1 1 12 8963 1 1 25 ASP CG C -7.900 -3.108 -5.393 1.00 . A A . 27 ASP CG 1 1 12 8964 1 1 25 ASP H H -6.617 -1.035 -6.664 1.00 . A A . 27 ASP H 1 1 12 8965 1 1 25 ASP HA H -8.599 -2.052 -8.580 1.00 . A A . 27 ASP HA 1 1 12 8966 1 1 25 ASP HB2 H -8.672 -4.006 -7.184 1.00 . A A . 27 ASP HB2 1 1 12 8967 1 1 25 ASP HB3 H -6.978 -3.521 -7.285 1.00 . A A . 27 ASP HB3 1 1 12 8968 1 1 25 ASP N N -7.260 -0.934 -7.392 1.00 . A A . 27 ASP N 1 1 12 8969 1 1 25 ASP O O -10.542 -2.105 -6.527 1.00 . A A . 27 ASP O 1 1 12 8970 1 1 25 ASP OD1 O -7.967 -1.988 -4.913 1.00 . A A . 27 ASP OD1 1 1 12 8971 1 1 25 ASP OD2 O -7.793 -4.127 -4.730 1.00 . A A . 27 ASP OD2 1 1 12 8972 1 1 26 ASN C C -10.873 -0.061 -4.383 1.00 . A A . 28 ASN C 1 1 12 8973 1 1 26 ASN CA C -10.815 0.477 -5.810 1.00 . A A . 28 ASN CA 1 1 12 8974 1 1 26 ASN CB C -12.096 0.088 -6.552 1.00 . A A . 28 ASN CB 1 1 12 8975 1 1 26 ASN CG C -12.961 1.331 -6.760 1.00 . A A . 28 ASN CG 1 1 12 8976 1 1 26 ASN H H -8.879 0.470 -6.749 1.00 . A A . 28 ASN H 1 1 12 8977 1 1 26 ASN HA H -10.726 1.554 -5.785 1.00 . A A . 28 ASN HA 1 1 12 8978 1 1 26 ASN HB2 H -11.840 -0.338 -7.512 1.00 . A A . 28 ASN HB2 1 1 12 8979 1 1 26 ASN HB3 H -12.643 -0.637 -5.970 1.00 . A A . 28 ASN HB3 1 1 12 8980 1 1 26 ASN HD21 H -11.438 2.475 -7.321 1.00 . A A . 28 ASN HD21 1 1 12 8981 1 1 26 ASN HD22 H -12.950 3.244 -7.291 1.00 . A A . 28 ASN HD22 1 1 12 8982 1 1 26 ASN N N -9.637 -0.103 -6.512 1.00 . A A . 28 ASN N 1 1 12 8983 1 1 26 ASN ND2 N -12.403 2.443 -7.156 1.00 . A A . 28 ASN ND2 1 1 12 8984 1 1 26 ASN O O -11.933 -0.298 -3.839 1.00 . A A . 28 ASN O 1 1 12 8985 1 1 26 ASN OD1 O -14.158 1.293 -6.557 1.00 . A A . 28 ASN OD1 1 1 12 8986 1 1 27 LYS C C -9.003 0.217 -1.470 1.00 . A A . 29 LYS C 1 1 12 8987 1 1 27 LYS CA C -9.733 -0.776 -2.374 1.00 . A A . 29 LYS CA 1 1 12 8988 1 1 27 LYS CB C -9.015 -2.126 -2.336 1.00 . A A . 29 LYS CB 1 1 12 8989 1 1 27 LYS CD C -9.541 -4.308 -1.235 1.00 . A A . 29 LYS CD 1 1 12 8990 1 1 27 LYS CE C -10.647 -4.803 -0.299 1.00 . A A . 29 LYS CE 1 1 12 8991 1 1 27 LYS CG C -9.305 -2.815 -1.003 1.00 . A A . 29 LYS CG 1 1 12 8992 1 1 27 LYS H H -8.891 -0.055 -4.222 1.00 . A A . 29 LYS H 1 1 12 8993 1 1 27 LYS HA H -10.750 -0.897 -2.029 1.00 . A A . 29 LYS HA 1 1 12 8994 1 1 27 LYS HB2 H -9.369 -2.747 -3.149 1.00 . A A . 29 LYS HB2 1 1 12 8995 1 1 27 LYS HB3 H -7.951 -1.974 -2.435 1.00 . A A . 29 LYS HB3 1 1 12 8996 1 1 27 LYS HD2 H -9.835 -4.470 -2.260 1.00 . A A . 29 LYS HD2 1 1 12 8997 1 1 27 LYS HD3 H -8.632 -4.850 -1.030 1.00 . A A . 29 LYS HD3 1 1 12 8998 1 1 27 LYS HE2 H -10.394 -5.788 0.068 1.00 . A A . 29 LYS HE2 1 1 12 8999 1 1 27 LYS HE3 H -10.745 -4.123 0.534 1.00 . A A . 29 LYS HE3 1 1 12 9000 1 1 27 LYS HG2 H -8.463 -2.682 -0.339 1.00 . A A . 29 LYS HG2 1 1 12 9001 1 1 27 LYS HG3 H -10.186 -2.378 -0.557 1.00 . A A . 29 LYS HG3 1 1 12 9002 1 1 27 LYS HZ1 H -11.747 -4.920 -2.064 1.00 . A A . 29 LYS HZ1 1 1 12 9003 1 1 27 LYS HZ2 H -12.497 -4.014 -0.839 1.00 . A A . 29 LYS HZ2 1 1 12 9004 1 1 27 LYS HZ3 H -12.467 -5.710 -0.748 1.00 . A A . 29 LYS HZ3 1 1 12 9005 1 1 27 LYS N N -9.739 -0.254 -3.768 1.00 . A A . 29 LYS N 1 1 12 9006 1 1 27 LYS NZ N -11.936 -4.867 -1.044 1.00 . A A . 29 LYS NZ 1 1 12 9007 1 1 27 LYS O O -8.251 1.048 -1.932 1.00 . A A . 29 LYS O 1 1 12 9008 1 1 28 THR C C -7.480 0.320 1.553 1.00 . A A . 30 THR C 1 1 12 9009 1 1 28 THR CA C -8.534 1.081 0.745 1.00 . A A . 30 THR CA 1 1 12 9010 1 1 28 THR CB C -9.563 1.708 1.691 1.00 . A A . 30 THR CB 1 1 12 9011 1 1 28 THR CG2 C -8.846 2.384 2.863 1.00 . A A . 30 THR CG2 1 1 12 9012 1 1 28 THR H H -9.831 -0.543 0.166 1.00 . A A . 30 THR H 1 1 12 9013 1 1 28 THR HA H -8.053 1.860 0.171 1.00 . A A . 30 THR HA 1 1 12 9014 1 1 28 THR HB H -10.220 0.941 2.072 1.00 . A A . 30 THR HB 1 1 12 9015 1 1 28 THR HG1 H -10.462 2.353 0.089 1.00 . A A . 30 THR HG1 1 1 12 9016 1 1 28 THR HG21 H -8.148 3.116 2.482 1.00 . A A . 30 THR HG21 1 1 12 9017 1 1 28 THR HG22 H -8.310 1.638 3.434 1.00 . A A . 30 THR HG22 1 1 12 9018 1 1 28 THR HG23 H -9.570 2.872 3.497 1.00 . A A . 30 THR HG23 1 1 12 9019 1 1 28 THR N N -9.220 0.138 -0.186 1.00 . A A . 30 THR N 1 1 12 9020 1 1 28 THR O O -7.651 -0.839 1.878 1.00 . A A . 30 THR O 1 1 12 9021 1 1 28 THR OG1 O -10.328 2.677 0.982 1.00 . A A . 30 THR OG1 1 1 12 9022 1 1 29 TYR C C -5.065 1.038 3.945 1.00 . A A . 31 TYR C 1 1 12 9023 1 1 29 TYR CA C -5.323 0.276 2.648 1.00 . A A . 31 TYR CA 1 1 12 9024 1 1 29 TYR CB C -4.056 0.234 1.806 1.00 . A A . 31 TYR CB 1 1 12 9025 1 1 29 TYR CD1 C -4.534 -2.183 1.280 1.00 . A A . 31 TYR CD1 1 1 12 9026 1 1 29 TYR CD2 C -3.882 -0.703 -0.524 1.00 . A A . 31 TYR CD2 1 1 12 9027 1 1 29 TYR CE1 C -4.636 -3.244 0.374 1.00 . A A . 31 TYR CE1 1 1 12 9028 1 1 29 TYR CE2 C -3.986 -1.762 -1.431 1.00 . A A . 31 TYR CE2 1 1 12 9029 1 1 29 TYR CG C -4.155 -0.913 0.831 1.00 . A A . 31 TYR CG 1 1 12 9030 1 1 29 TYR CZ C -4.363 -3.034 -0.982 1.00 . A A . 31 TYR CZ 1 1 12 9031 1 1 29 TYR H H -6.262 1.887 1.596 1.00 . A A . 31 TYR H 1 1 12 9032 1 1 29 TYR HA H -5.629 -0.731 2.881 1.00 . A A . 31 TYR HA 1 1 12 9033 1 1 29 TYR HB2 H -3.954 1.162 1.264 1.00 . A A . 31 TYR HB2 1 1 12 9034 1 1 29 TYR HB3 H -3.205 0.094 2.445 1.00 . A A . 31 TYR HB3 1 1 12 9035 1 1 29 TYR HD1 H -4.745 -2.346 2.327 1.00 . A A . 31 TYR HD1 1 1 12 9036 1 1 29 TYR HD2 H -3.590 0.278 -0.869 1.00 . A A . 31 TYR HD2 1 1 12 9037 1 1 29 TYR HE1 H -4.927 -4.226 0.720 1.00 . A A . 31 TYR HE1 1 1 12 9038 1 1 29 TYR HE2 H -3.773 -1.600 -2.477 1.00 . A A . 31 TYR HE2 1 1 12 9039 1 1 29 TYR HH H -3.844 -4.757 -1.618 1.00 . A A . 31 TYR HH 1 1 12 9040 1 1 29 TYR N N -6.387 0.958 1.872 1.00 . A A . 31 TYR N 1 1 12 9041 1 1 29 TYR O O -5.343 2.217 4.054 1.00 . A A . 31 TYR O 1 1 12 9042 1 1 29 TYR OH O -4.471 -4.079 -1.877 1.00 . A A . 31 TYR OH 1 1 12 9043 1 1 30 GLY C C -2.983 1.836 6.163 1.00 . A A . 32 GLY C 1 1 12 9044 1 1 30 GLY CA C -4.286 1.041 6.235 1.00 . A A . 32 GLY CA 1 1 12 9045 1 1 30 GLY H H -4.340 -0.583 4.824 1.00 . A A . 32 GLY H 1 1 12 9046 1 1 30 GLY HA2 H -5.102 1.711 6.460 1.00 . A A . 32 GLY HA2 1 1 12 9047 1 1 30 GLY HA3 H -4.206 0.297 7.013 1.00 . A A . 32 GLY HA3 1 1 12 9048 1 1 30 GLY N N -4.548 0.368 4.935 1.00 . A A . 32 GLY N 1 1 12 9049 1 1 30 GLY O O -2.792 2.785 6.895 1.00 . A A . 32 GLY O 1 1 12 9050 1 1 31 ASN C C 0.127 1.596 4.173 1.00 . A A . 33 ASN C 1 1 12 9051 1 1 31 ASN CA C -0.800 2.222 5.218 1.00 . A A . 33 ASN CA 1 1 12 9052 1 1 31 ASN CB C -0.117 2.202 6.588 1.00 . A A . 33 ASN CB 1 1 12 9053 1 1 31 ASN CG C -0.105 0.773 7.135 1.00 . A A . 33 ASN CG 1 1 12 9054 1 1 31 ASN H H -2.238 0.690 4.714 1.00 . A A . 33 ASN H 1 1 12 9055 1 1 31 ASN HA H -1.005 3.241 4.943 1.00 . A A . 33 ASN HA 1 1 12 9056 1 1 31 ASN HB2 H 0.896 2.561 6.490 1.00 . A A . 33 ASN HB2 1 1 12 9057 1 1 31 ASN HB3 H -0.661 2.839 7.268 1.00 . A A . 33 ASN HB3 1 1 12 9058 1 1 31 ASN HD21 H 0.193 1.343 9.012 1.00 . A A . 33 ASN HD21 1 1 12 9059 1 1 31 ASN HD22 H 0.078 -0.333 8.773 1.00 . A A . 33 ASN HD22 1 1 12 9060 1 1 31 ASN N N -2.078 1.462 5.299 1.00 . A A . 33 ASN N 1 1 12 9061 1 1 31 ASN ND2 N 0.070 0.578 8.412 1.00 . A A . 33 ASN ND2 1 1 12 9062 1 1 31 ASN O O -0.169 0.573 3.588 1.00 . A A . 33 ASN O 1 1 12 9063 1 1 31 ASN OD1 O -0.260 -0.175 6.393 1.00 . A A . 33 ASN OD1 1 1 12 9064 1 1 32 LYS C C 2.611 0.256 3.305 1.00 . A A . 34 LYS C 1 1 12 9065 1 1 32 LYS CA C 2.228 1.691 2.944 1.00 . A A . 34 LYS CA 1 1 12 9066 1 1 32 LYS CB C 3.484 2.569 2.945 1.00 . A A . 34 LYS CB 1 1 12 9067 1 1 32 LYS CD C 5.058 3.752 1.401 1.00 . A A . 34 LYS CD 1 1 12 9068 1 1 32 LYS CE C 5.463 4.634 2.584 1.00 . A A . 34 LYS CE 1 1 12 9069 1 1 32 LYS CG C 3.619 3.269 1.589 1.00 . A A . 34 LYS CG 1 1 12 9070 1 1 32 LYS H H 1.453 3.038 4.430 1.00 . A A . 34 LYS H 1 1 12 9071 1 1 32 LYS HA H 1.780 1.707 1.961 1.00 . A A . 34 LYS HA 1 1 12 9072 1 1 32 LYS HB2 H 3.405 3.309 3.728 1.00 . A A . 34 LYS HB2 1 1 12 9073 1 1 32 LYS HB3 H 4.353 1.952 3.116 1.00 . A A . 34 LYS HB3 1 1 12 9074 1 1 32 LYS HD2 H 5.721 2.900 1.343 1.00 . A A . 34 LYS HD2 1 1 12 9075 1 1 32 LYS HD3 H 5.128 4.326 0.488 1.00 . A A . 34 LYS HD3 1 1 12 9076 1 1 32 LYS HE2 H 4.949 5.582 2.518 1.00 . A A . 34 LYS HE2 1 1 12 9077 1 1 32 LYS HE3 H 5.194 4.143 3.507 1.00 . A A . 34 LYS HE3 1 1 12 9078 1 1 32 LYS HG2 H 3.364 2.577 0.801 1.00 . A A . 34 LYS HG2 1 1 12 9079 1 1 32 LYS HG3 H 2.950 4.116 1.554 1.00 . A A . 34 LYS HG3 1 1 12 9080 1 1 32 LYS HZ1 H 7.345 4.382 1.728 1.00 . A A . 34 LYS HZ1 1 1 12 9081 1 1 32 LYS HZ2 H 7.362 4.486 3.423 1.00 . A A . 34 LYS HZ2 1 1 12 9082 1 1 32 LYS HZ3 H 7.127 5.882 2.486 1.00 . A A . 34 LYS HZ3 1 1 12 9083 1 1 32 LYS N N 1.252 2.218 3.943 1.00 . A A . 34 LYS N 1 1 12 9084 1 1 32 LYS NZ N 6.936 4.863 2.553 1.00 . A A . 34 LYS NZ 1 1 12 9085 1 1 32 LYS O O 3.187 -0.457 2.513 1.00 . A A . 34 LYS O 1 1 12 9086 1 1 33 CYS C C 1.659 -2.517 4.197 1.00 . A A . 35 CYS C 1 1 12 9087 1 1 33 CYS CA C 2.631 -1.563 4.896 1.00 . A A . 35 CYS CA 1 1 12 9088 1 1 33 CYS CB C 2.485 -1.669 6.417 1.00 . A A . 35 CYS CB 1 1 12 9089 1 1 33 CYS H H 1.832 0.408 5.125 1.00 . A A . 35 CYS H 1 1 12 9090 1 1 33 CYS HA H 3.644 -1.796 4.609 1.00 . A A . 35 CYS HA 1 1 12 9091 1 1 33 CYS HB2 H 3.363 -1.258 6.887 1.00 . A A . 35 CYS HB2 1 1 12 9092 1 1 33 CYS HB3 H 1.618 -1.105 6.729 1.00 . A A . 35 CYS HB3 1 1 12 9093 1 1 33 CYS N N 2.295 -0.177 4.494 1.00 . A A . 35 CYS N 1 1 12 9094 1 1 33 CYS O O 2.054 -3.482 3.574 1.00 . A A . 35 CYS O 1 1 12 9095 1 1 33 CYS SG S 2.286 -3.396 6.918 1.00 . A A . 35 CYS SG 1 1 12 9096 1 1 34 ASN C C -0.626 -2.859 2.140 1.00 . A A . 36 ASN C 1 1 12 9097 1 1 34 ASN CA C -0.624 -3.110 3.652 1.00 . A A . 36 ASN CA 1 1 12 9098 1 1 34 ASN CB C -2.001 -2.764 4.220 1.00 . A A . 36 ASN CB 1 1 12 9099 1 1 34 ASN CG C -2.722 -4.048 4.628 1.00 . A A . 36 ASN CG 1 1 12 9100 1 1 34 ASN H H 0.103 -1.458 4.808 1.00 . A A . 36 ASN H 1 1 12 9101 1 1 34 ASN HA H -0.401 -4.147 3.848 1.00 . A A . 36 ASN HA 1 1 12 9102 1 1 34 ASN HB2 H -1.882 -2.122 5.082 1.00 . A A . 36 ASN HB2 1 1 12 9103 1 1 34 ASN HB3 H -2.576 -2.250 3.469 1.00 . A A . 36 ASN HB3 1 1 12 9104 1 1 34 ASN HD21 H -1.628 -4.315 6.264 1.00 . A A . 36 ASN HD21 1 1 12 9105 1 1 34 ASN HD22 H -2.816 -5.496 5.985 1.00 . A A . 36 ASN HD22 1 1 12 9106 1 1 34 ASN N N 0.391 -2.243 4.299 1.00 . A A . 36 ASN N 1 1 12 9107 1 1 34 ASN ND2 N -2.359 -4.671 5.716 1.00 . A A . 36 ASN ND2 1 1 12 9108 1 1 34 ASN O O -1.213 -3.602 1.379 1.00 . A A . 36 ASN O 1 1 12 9109 1 1 34 ASN OD1 O -3.629 -4.491 3.950 1.00 . A A . 36 ASN OD1 1 1 12 9110 1 1 35 PHE C C 1.231 -2.205 -0.421 1.00 . A A . 37 PHE C 1 1 12 9111 1 1 35 PHE CA C 0.044 -1.503 0.243 1.00 . A A . 37 PHE CA 1 1 12 9112 1 1 35 PHE CB C 0.188 0.008 0.043 1.00 . A A . 37 PHE CB 1 1 12 9113 1 1 35 PHE CD1 C -1.027 0.036 -2.167 1.00 . A A . 37 PHE CD1 1 1 12 9114 1 1 35 PHE CD2 C 1.242 0.883 -2.073 1.00 . A A . 37 PHE CD2 1 1 12 9115 1 1 35 PHE CE1 C -1.078 0.319 -3.536 1.00 . A A . 37 PHE CE1 1 1 12 9116 1 1 35 PHE CE2 C 1.193 1.165 -3.444 1.00 . A A . 37 PHE CE2 1 1 12 9117 1 1 35 PHE CG C 0.131 0.319 -1.435 1.00 . A A . 37 PHE CG 1 1 12 9118 1 1 35 PHE CZ C 0.034 0.882 -4.174 1.00 . A A . 37 PHE CZ 1 1 12 9119 1 1 35 PHE H H 0.477 -1.219 2.334 1.00 . A A . 37 PHE H 1 1 12 9120 1 1 35 PHE HA H -0.875 -1.841 -0.215 1.00 . A A . 37 PHE HA 1 1 12 9121 1 1 35 PHE HB2 H -0.613 0.521 0.556 1.00 . A A . 37 PHE HB2 1 1 12 9122 1 1 35 PHE HB3 H 1.137 0.333 0.442 1.00 . A A . 37 PHE HB3 1 1 12 9123 1 1 35 PHE HD1 H -1.882 -0.400 -1.675 1.00 . A A . 37 PHE HD1 1 1 12 9124 1 1 35 PHE HD2 H 2.138 1.101 -1.508 1.00 . A A . 37 PHE HD2 1 1 12 9125 1 1 35 PHE HE1 H -1.974 0.101 -4.103 1.00 . A A . 37 PHE HE1 1 1 12 9126 1 1 35 PHE HE2 H 2.050 1.600 -3.936 1.00 . A A . 37 PHE HE2 1 1 12 9127 1 1 35 PHE HZ H -0.005 1.100 -5.231 1.00 . A A . 37 PHE HZ 1 1 12 9128 1 1 35 PHE N N 0.018 -1.809 1.701 1.00 . A A . 37 PHE N 1 1 12 9129 1 1 35 PHE O O 1.107 -2.797 -1.474 1.00 . A A . 37 PHE O 1 1 12 9130 1 1 36 CYS C C 3.473 -4.294 -0.260 1.00 . A A . 38 CYS C 1 1 12 9131 1 1 36 CYS CA C 3.582 -2.780 -0.412 1.00 . A A . 38 CYS CA 1 1 12 9132 1 1 36 CYS CB C 4.836 -2.282 0.309 1.00 . A A . 38 CYS CB 1 1 12 9133 1 1 36 CYS H H 2.457 -1.644 1.024 1.00 . A A . 38 CYS H 1 1 12 9134 1 1 36 CYS HA H 3.647 -2.527 -1.460 1.00 . A A . 38 CYS HA 1 1 12 9135 1 1 36 CYS HB2 H 4.699 -2.383 1.375 1.00 . A A . 38 CYS HB2 1 1 12 9136 1 1 36 CYS HB3 H 5.687 -2.869 -0.002 1.00 . A A . 38 CYS HB3 1 1 12 9137 1 1 36 CYS N N 2.382 -2.131 0.182 1.00 . A A . 38 CYS N 1 1 12 9138 1 1 36 CYS O O 3.931 -5.045 -1.098 1.00 . A A . 38 CYS O 1 1 12 9139 1 1 36 CYS SG S 5.119 -0.543 -0.102 1.00 . A A . 38 CYS SG 1 1 12 9140 1 1 37 ASN C C 1.674 -6.734 0.018 1.00 . A A . 39 ASN C 1 1 12 9141 1 1 37 ASN CA C 2.722 -6.219 0.989 1.00 . A A . 39 ASN CA 1 1 12 9142 1 1 37 ASN CB C 2.290 -6.513 2.428 1.00 . A A . 39 ASN CB 1 1 12 9143 1 1 37 ASN CG C 3.526 -6.781 3.288 1.00 . A A . 39 ASN CG 1 1 12 9144 1 1 37 ASN H H 2.494 -4.128 1.458 1.00 . A A . 39 ASN H 1 1 12 9145 1 1 37 ASN HA H 3.664 -6.700 0.782 1.00 . A A . 39 ASN HA 1 1 12 9146 1 1 37 ASN HB2 H 1.753 -5.663 2.821 1.00 . A A . 39 ASN HB2 1 1 12 9147 1 1 37 ASN HB3 H 1.650 -7.383 2.440 1.00 . A A . 39 ASN HB3 1 1 12 9148 1 1 37 ASN HD21 H 3.085 -5.366 4.611 1.00 . A A . 39 ASN HD21 1 1 12 9149 1 1 37 ASN HD22 H 4.513 -6.228 4.921 1.00 . A A . 39 ASN HD22 1 1 12 9150 1 1 37 ASN N N 2.864 -4.750 0.798 1.00 . A A . 39 ASN N 1 1 12 9151 1 1 37 ASN ND2 N 3.725 -6.066 4.363 1.00 . A A . 39 ASN ND2 1 1 12 9152 1 1 37 ASN O O 1.867 -7.729 -0.653 1.00 . A A . 39 ASN O 1 1 12 9153 1 1 37 ASN OD1 O 4.319 -7.648 2.981 1.00 . A A . 39 ASN OD1 1 1 12 9154 1 1 38 ALA C C 0.162 -6.459 -2.443 1.00 . A A . 40 ALA C 1 1 12 9155 1 1 38 ALA CA C -0.465 -6.491 -1.053 1.00 . A A . 40 ALA CA 1 1 12 9156 1 1 38 ALA CB C -1.663 -5.543 -1.001 1.00 . A A . 40 ALA CB 1 1 12 9157 1 1 38 ALA H H 0.446 -5.235 0.439 1.00 . A A . 40 ALA H 1 1 12 9158 1 1 38 ALA HA H -0.780 -7.498 -0.816 1.00 . A A . 40 ALA HA 1 1 12 9159 1 1 38 ALA HB1 H -1.448 -4.659 -1.582 1.00 . A A . 40 ALA HB1 1 1 12 9160 1 1 38 ALA HB2 H -1.857 -5.263 0.024 1.00 . A A . 40 ALA HB2 1 1 12 9161 1 1 38 ALA HB3 H -2.530 -6.038 -1.410 1.00 . A A . 40 ALA HB3 1 1 12 9162 1 1 38 ALA N N 0.574 -6.049 -0.092 1.00 . A A . 40 ALA N 1 1 12 9163 1 1 38 ALA O O -0.237 -7.171 -3.344 1.00 . A A . 40 ALA O 1 1 12 9164 1 1 39 VAL C C 2.830 -6.717 -4.047 1.00 . A A . 41 VAL C 1 1 12 9165 1 1 39 VAL CA C 1.856 -5.546 -3.919 1.00 . A A . 41 VAL CA 1 1 12 9166 1 1 39 VAL CB C 2.634 -4.232 -3.999 1.00 . A A . 41 VAL CB 1 1 12 9167 1 1 39 VAL CG1 C 3.561 -4.261 -5.217 1.00 . A A . 41 VAL CG1 1 1 12 9168 1 1 39 VAL CG2 C 1.652 -3.065 -4.135 1.00 . A A . 41 VAL CG2 1 1 12 9169 1 1 39 VAL H H 1.470 -5.085 -1.855 1.00 . A A . 41 VAL H 1 1 12 9170 1 1 39 VAL HA H 1.131 -5.589 -4.716 1.00 . A A . 41 VAL HA 1 1 12 9171 1 1 39 VAL HB H 3.222 -4.109 -3.101 1.00 . A A . 41 VAL HB 1 1 12 9172 1 1 39 VAL HG11 H 2.972 -4.360 -6.116 1.00 . A A . 41 VAL HG11 1 1 12 9173 1 1 39 VAL HG12 H 4.236 -5.101 -5.135 1.00 . A A . 41 VAL HG12 1 1 12 9174 1 1 39 VAL HG13 H 4.130 -3.345 -5.259 1.00 . A A . 41 VAL HG13 1 1 12 9175 1 1 39 VAL HG21 H 0.717 -3.326 -3.663 1.00 . A A . 41 VAL HG21 1 1 12 9176 1 1 39 VAL HG22 H 1.482 -2.859 -5.182 1.00 . A A . 41 VAL HG22 1 1 12 9177 1 1 39 VAL HG23 H 2.065 -2.189 -3.658 1.00 . A A . 41 VAL HG23 1 1 12 9178 1 1 39 VAL N N 1.165 -5.637 -2.607 1.00 . A A . 41 VAL N 1 1 12 9179 1 1 39 VAL O O 3.071 -7.220 -5.127 1.00 . A A . 41 VAL O 1 1 12 9180 1 1 40 VAL C C 3.567 -9.561 -3.419 1.00 . A A . 42 VAL C 1 1 12 9181 1 1 40 VAL CA C 4.341 -8.303 -3.025 1.00 . A A . 42 VAL CA 1 1 12 9182 1 1 40 VAL CB C 5.000 -8.517 -1.662 1.00 . A A . 42 VAL CB 1 1 12 9183 1 1 40 VAL CG1 C 5.810 -9.814 -1.689 1.00 . A A . 42 VAL CG1 1 1 12 9184 1 1 40 VAL CG2 C 5.932 -7.342 -1.354 1.00 . A A . 42 VAL CG2 1 1 12 9185 1 1 40 VAL H H 3.180 -6.747 -2.086 1.00 . A A . 42 VAL H 1 1 12 9186 1 1 40 VAL HA H 5.098 -8.098 -3.766 1.00 . A A . 42 VAL HA 1 1 12 9187 1 1 40 VAL HB H 4.237 -8.584 -0.898 1.00 . A A . 42 VAL HB 1 1 12 9188 1 1 40 VAL HG11 H 6.382 -9.862 -2.604 1.00 . A A . 42 VAL HG11 1 1 12 9189 1 1 40 VAL HG12 H 5.138 -10.658 -1.641 1.00 . A A . 42 VAL HG12 1 1 12 9190 1 1 40 VAL HG13 H 6.480 -9.838 -0.843 1.00 . A A . 42 VAL HG13 1 1 12 9191 1 1 40 VAL HG21 H 5.618 -6.863 -0.438 1.00 . A A . 42 VAL HG21 1 1 12 9192 1 1 40 VAL HG22 H 5.895 -6.629 -2.164 1.00 . A A . 42 VAL HG22 1 1 12 9193 1 1 40 VAL HG23 H 6.944 -7.705 -1.241 1.00 . A A . 42 VAL HG23 1 1 12 9194 1 1 40 VAL N N 3.390 -7.160 -2.953 1.00 . A A . 42 VAL N 1 1 12 9195 1 1 40 VAL O O 4.096 -10.463 -4.038 1.00 . A A . 42 VAL O 1 1 12 9196 1 1 41 GLU C C 1.036 -10.688 -4.880 1.00 . A A . 43 GLU C 1 1 12 9197 1 1 41 GLU CA C 1.492 -10.813 -3.425 1.00 . A A . 43 GLU CA 1 1 12 9198 1 1 41 GLU CB C 0.269 -10.888 -2.507 1.00 . A A . 43 GLU CB 1 1 12 9199 1 1 41 GLU CD C -2.055 -9.976 -2.391 1.00 . A A . 43 GLU CD 1 1 12 9200 1 1 41 GLU CG C -0.595 -9.638 -2.697 1.00 . A A . 43 GLU CG 1 1 12 9201 1 1 41 GLU H H 1.907 -8.878 -2.574 1.00 . A A . 43 GLU H 1 1 12 9202 1 1 41 GLU HA H 2.087 -11.708 -3.310 1.00 . A A . 43 GLU HA 1 1 12 9203 1 1 41 GLU HB2 H -0.309 -11.767 -2.751 1.00 . A A . 43 GLU HB2 1 1 12 9204 1 1 41 GLU HB3 H 0.595 -10.946 -1.480 1.00 . A A . 43 GLU HB3 1 1 12 9205 1 1 41 GLU HG2 H -0.257 -8.862 -2.026 1.00 . A A . 43 GLU HG2 1 1 12 9206 1 1 41 GLU HG3 H -0.513 -9.294 -3.716 1.00 . A A . 43 GLU HG3 1 1 12 9207 1 1 41 GLU N N 2.312 -9.622 -3.069 1.00 . A A . 43 GLU N 1 1 12 9208 1 1 41 GLU O O 0.801 -11.669 -5.556 1.00 . A A . 43 GLU O 1 1 12 9209 1 1 41 GLU OE1 O -2.318 -11.115 -2.040 1.00 . A A . 43 GLU OE1 1 1 12 9210 1 1 41 GLU OE2 O -2.886 -9.092 -2.513 1.00 . A A . 43 GLU OE2 1 1 12 9211 1 1 42 SER C C 1.713 -9.228 -7.684 1.00 . A A . 44 SER C 1 1 12 9212 1 1 42 SER CA C 0.481 -9.284 -6.776 1.00 . A A . 44 SER CA 1 1 12 9213 1 1 42 SER CB C -0.293 -7.972 -6.887 1.00 . A A . 44 SER CB 1 1 12 9214 1 1 42 SER H H 1.114 -8.705 -4.801 1.00 . A A . 44 SER H 1 1 12 9215 1 1 42 SER HA H -0.153 -10.105 -7.078 1.00 . A A . 44 SER HA 1 1 12 9216 1 1 42 SER HB2 H -0.183 -7.410 -5.974 1.00 . A A . 44 SER HB2 1 1 12 9217 1 1 42 SER HB3 H 0.102 -7.392 -7.710 1.00 . A A . 44 SER HB3 1 1 12 9218 1 1 42 SER HG H -1.760 -9.176 -7.334 1.00 . A A . 44 SER HG 1 1 12 9219 1 1 42 SER N N 0.916 -9.482 -5.365 1.00 . A A . 44 SER N 1 1 12 9220 1 1 42 SER O O 1.603 -9.136 -8.890 1.00 . A A . 44 SER O 1 1 12 9221 1 1 42 SER OG O -1.674 -8.247 -7.101 1.00 . A A . 44 SER OG 1 1 12 9222 1 1 43 ASN C C 4.206 -7.881 -8.652 1.00 . A A . 45 ASN C 1 1 12 9223 1 1 43 ASN CA C 4.121 -9.233 -7.940 1.00 . A A . 45 ASN CA 1 1 12 9224 1 1 43 ASN CB C 4.083 -10.357 -8.974 1.00 . A A . 45 ASN CB 1 1 12 9225 1 1 43 ASN CG C 5.227 -11.338 -8.705 1.00 . A A . 45 ASN CG 1 1 12 9226 1 1 43 ASN H H 2.954 -9.356 -6.140 1.00 . A A . 45 ASN H 1 1 12 9227 1 1 43 ASN HA H 4.985 -9.358 -7.302 1.00 . A A . 45 ASN HA 1 1 12 9228 1 1 43 ASN HB2 H 3.138 -10.877 -8.905 1.00 . A A . 45 ASN HB2 1 1 12 9229 1 1 43 ASN HB3 H 4.192 -9.939 -9.960 1.00 . A A . 45 ASN HB3 1 1 12 9230 1 1 43 ASN HD21 H 5.577 -11.681 -10.631 1.00 . A A . 45 ASN HD21 1 1 12 9231 1 1 43 ASN HD22 H 6.580 -12.521 -9.549 1.00 . A A . 45 ASN HD22 1 1 12 9232 1 1 43 ASN N N 2.885 -9.282 -7.112 1.00 . A A . 45 ASN N 1 1 12 9233 1 1 43 ASN ND2 N 5.847 -11.892 -9.712 1.00 . A A . 45 ASN ND2 1 1 12 9234 1 1 43 ASN O O 4.944 -7.716 -9.603 1.00 . A A . 45 ASN O 1 1 12 9235 1 1 43 ASN OD1 O 5.561 -11.603 -7.567 1.00 . A A . 45 ASN OD1 1 1 12 9236 1 1 44 GLY C C 2.259 -5.368 -9.715 1.00 . A A . 46 GLY C 1 1 12 9237 1 1 44 GLY CA C 3.506 -5.571 -8.848 1.00 . A A . 46 GLY CA 1 1 12 9238 1 1 44 GLY H H 2.875 -7.063 -7.427 1.00 . A A . 46 GLY H 1 1 12 9239 1 1 44 GLY HA2 H 3.543 -4.805 -8.086 1.00 . A A . 46 GLY HA2 1 1 12 9240 1 1 44 GLY HA3 H 4.386 -5.502 -9.468 1.00 . A A . 46 GLY HA3 1 1 12 9241 1 1 44 GLY N N 3.460 -6.911 -8.197 1.00 . A A . 46 GLY N 1 1 12 9242 1 1 44 GLY O O 2.159 -4.408 -10.453 1.00 . A A . 46 GLY O 1 1 12 9243 1 1 45 THR C C -0.916 -5.195 -9.732 1.00 . A A . 47 THR C 1 1 12 9244 1 1 45 THR CA C 0.076 -6.103 -10.464 1.00 . A A . 47 THR CA 1 1 12 9245 1 1 45 THR CB C -0.570 -7.474 -10.702 1.00 . A A . 47 THR CB 1 1 12 9246 1 1 45 THR CG2 C 0.378 -8.353 -11.517 1.00 . A A . 47 THR CG2 1 1 12 9247 1 1 45 THR H H 1.403 -7.030 -9.036 1.00 . A A . 47 THR H 1 1 12 9248 1 1 45 THR HA H 0.336 -5.658 -11.412 1.00 . A A . 47 THR HA 1 1 12 9249 1 1 45 THR HB H -1.493 -7.347 -11.247 1.00 . A A . 47 THR HB 1 1 12 9250 1 1 45 THR HG1 H -1.790 -8.117 -9.332 1.00 . A A . 47 THR HG1 1 1 12 9251 1 1 45 THR HG21 H 1.389 -8.218 -11.164 1.00 . A A . 47 THR HG21 1 1 12 9252 1 1 45 THR HG22 H 0.320 -8.076 -12.560 1.00 . A A . 47 THR HG22 1 1 12 9253 1 1 45 THR HG23 H 0.092 -9.390 -11.405 1.00 . A A . 47 THR HG23 1 1 12 9254 1 1 45 THR N N 1.308 -6.261 -9.636 1.00 . A A . 47 THR N 1 1 12 9255 1 1 45 THR O O -1.819 -4.638 -10.325 1.00 . A A . 47 THR O 1 1 12 9256 1 1 45 THR OG1 O -0.838 -8.095 -9.454 1.00 . A A . 47 THR OG1 1 1 12 9257 1 1 46 LEU C C -1.062 -2.772 -7.538 1.00 . A A . 48 LEU C 1 1 12 9258 1 1 46 LEU CA C -1.676 -4.164 -7.668 1.00 . A A . 48 LEU CA 1 1 12 9259 1 1 46 LEU CB C -1.892 -4.765 -6.278 1.00 . A A . 48 LEU CB 1 1 12 9260 1 1 46 LEU CD1 C -4.177 -4.301 -5.386 1.00 . A A . 48 LEU CD1 1 1 12 9261 1 1 46 LEU CD2 C -2.163 -3.760 -4.011 1.00 . A A . 48 LEU CD2 1 1 12 9262 1 1 46 LEU CG C -2.730 -3.810 -5.431 1.00 . A A . 48 LEU CG 1 1 12 9263 1 1 46 LEU H H -0.013 -5.496 -7.992 1.00 . A A . 48 LEU H 1 1 12 9264 1 1 46 LEU HA H -2.626 -4.085 -8.179 1.00 . A A . 48 LEU HA 1 1 12 9265 1 1 46 LEU HB2 H -2.408 -5.711 -6.371 1.00 . A A . 48 LEU HB2 1 1 12 9266 1 1 46 LEU HB3 H -0.937 -4.923 -5.800 1.00 . A A . 48 LEU HB3 1 1 12 9267 1 1 46 LEU HD11 H -4.810 -3.524 -4.982 1.00 . A A . 48 LEU HD11 1 1 12 9268 1 1 46 LEU HD12 H -4.239 -5.178 -4.758 1.00 . A A . 48 LEU HD12 1 1 12 9269 1 1 46 LEU HD13 H -4.505 -4.551 -6.384 1.00 . A A . 48 LEU HD13 1 1 12 9270 1 1 46 LEU HD21 H -2.959 -3.926 -3.302 1.00 . A A . 48 LEU HD21 1 1 12 9271 1 1 46 LEU HD22 H -1.720 -2.793 -3.833 1.00 . A A . 48 LEU HD22 1 1 12 9272 1 1 46 LEU HD23 H -1.413 -4.528 -3.895 1.00 . A A . 48 LEU HD23 1 1 12 9273 1 1 46 LEU HG H -2.700 -2.821 -5.867 1.00 . A A . 48 LEU HG 1 1 12 9274 1 1 46 LEU N N -0.751 -5.038 -8.446 1.00 . A A . 48 LEU N 1 1 12 9275 1 1 46 LEU O O -0.089 -2.572 -6.838 1.00 . A A . 48 LEU O 1 1 12 9276 1 1 47 THR C C -1.919 0.377 -7.127 1.00 . A A . 49 THR C 1 1 12 9277 1 1 47 THR CA C -1.090 -0.427 -8.128 1.00 . A A . 49 THR CA 1 1 12 9278 1 1 47 THR CB C -1.158 0.219 -9.518 1.00 . A A . 49 THR CB 1 1 12 9279 1 1 47 THR CG2 C -0.291 -0.576 -10.495 1.00 . A A . 49 THR CG2 1 1 12 9280 1 1 47 THR H H -2.414 -1.999 -8.763 1.00 . A A . 49 THR H 1 1 12 9281 1 1 47 THR HA H -0.065 -0.453 -7.798 1.00 . A A . 49 THR HA 1 1 12 9282 1 1 47 THR HB H -0.793 1.232 -9.469 1.00 . A A . 49 THR HB 1 1 12 9283 1 1 47 THR HG1 H -2.636 -0.570 -10.505 1.00 . A A . 49 THR HG1 1 1 12 9284 1 1 47 THR HG21 H 0.276 0.106 -11.112 1.00 . A A . 49 THR HG21 1 1 12 9285 1 1 47 THR HG22 H -0.922 -1.189 -11.122 1.00 . A A . 49 THR HG22 1 1 12 9286 1 1 47 THR HG23 H 0.388 -1.207 -9.941 1.00 . A A . 49 THR HG23 1 1 12 9287 1 1 47 THR N N -1.629 -1.810 -8.207 1.00 . A A . 49 THR N 1 1 12 9288 1 1 47 THR O O -2.491 -0.166 -6.203 1.00 . A A . 49 THR O 1 1 12 9289 1 1 47 THR OG1 O -2.503 0.220 -9.975 1.00 . A A . 49 THR OG1 1 1 12 9290 1 1 48 LEU C C -3.540 3.561 -7.186 1.00 . A A . 50 LEU C 1 1 12 9291 1 1 48 LEU CA C -2.766 2.518 -6.370 1.00 . A A . 50 LEU CA 1 1 12 9292 1 1 48 LEU CB C -1.810 3.227 -5.409 1.00 . A A . 50 LEU CB 1 1 12 9293 1 1 48 LEU CD1 C -2.314 4.433 -3.281 1.00 . A A . 50 LEU CD1 1 1 12 9294 1 1 48 LEU CD2 C -1.902 5.714 -5.387 1.00 . A A . 50 LEU CD2 1 1 12 9295 1 1 48 LEU CG C -2.506 4.441 -4.797 1.00 . A A . 50 LEU CG 1 1 12 9296 1 1 48 LEU H H -1.508 2.071 -8.047 1.00 . A A . 50 LEU H 1 1 12 9297 1 1 48 LEU HA H -3.456 1.908 -5.800 1.00 . A A . 50 LEU HA 1 1 12 9298 1 1 48 LEU HB2 H -1.523 2.546 -4.621 1.00 . A A . 50 LEU HB2 1 1 12 9299 1 1 48 LEU HB3 H -0.931 3.550 -5.946 1.00 . A A . 50 LEU HB3 1 1 12 9300 1 1 48 LEU HD11 H -2.124 3.424 -2.949 1.00 . A A . 50 LEU HD11 1 1 12 9301 1 1 48 LEU HD12 H -3.209 4.809 -2.804 1.00 . A A . 50 LEU HD12 1 1 12 9302 1 1 48 LEU HD13 H -1.478 5.062 -3.021 1.00 . A A . 50 LEU HD13 1 1 12 9303 1 1 48 LEU HD21 H -2.054 5.722 -6.457 1.00 . A A . 50 LEU HD21 1 1 12 9304 1 1 48 LEU HD22 H -0.844 5.742 -5.173 1.00 . A A . 50 LEU HD22 1 1 12 9305 1 1 48 LEU HD23 H -2.381 6.574 -4.950 1.00 . A A . 50 LEU HD23 1 1 12 9306 1 1 48 LEU HG H -3.562 4.402 -5.028 1.00 . A A . 50 LEU HG 1 1 12 9307 1 1 48 LEU N N -1.983 1.663 -7.302 1.00 . A A . 50 LEU N 1 1 12 9308 1 1 48 LEU O O -3.000 4.208 -8.059 1.00 . A A . 50 LEU O 1 1 12 9309 1 1 49 SER C C -5.357 6.134 -7.131 1.00 . A A . 51 SER C 1 1 12 9310 1 1 49 SER CA C -5.616 4.718 -7.655 1.00 . A A . 51 SER CA 1 1 12 9311 1 1 49 SER CB C -7.099 4.388 -7.487 1.00 . A A . 51 SER CB 1 1 12 9312 1 1 49 SER H H -5.213 3.188 -6.205 1.00 . A A . 51 SER H 1 1 12 9313 1 1 49 SER HA H -5.354 4.672 -8.698 1.00 . A A . 51 SER HA 1 1 12 9314 1 1 49 SER HB2 H -7.209 3.375 -7.144 1.00 . A A . 51 SER HB2 1 1 12 9315 1 1 49 SER HB3 H -7.533 5.062 -6.759 1.00 . A A . 51 SER HB3 1 1 12 9316 1 1 49 SER HG H -8.453 5.189 -8.632 1.00 . A A . 51 SER HG 1 1 12 9317 1 1 49 SER N N -4.801 3.725 -6.904 1.00 . A A . 51 SER N 1 1 12 9318 1 1 49 SER O O -5.421 7.092 -7.873 1.00 . A A . 51 SER O 1 1 12 9319 1 1 49 SER OG O -7.756 4.536 -8.738 1.00 . A A . 51 SER OG 1 1 12 9320 1 1 50 HIS C C -4.519 7.567 -3.829 1.00 . A A . 52 HIS C 1 1 12 9321 1 1 50 HIS CA C -4.817 7.651 -5.328 1.00 . A A . 52 HIS CA 1 1 12 9322 1 1 50 HIS CB C -6.045 8.546 -5.592 1.00 . A A . 52 HIS CB 1 1 12 9323 1 1 50 HIS CD2 C -7.297 9.230 -3.381 1.00 . A A . 52 HIS CD2 1 1 12 9324 1 1 50 HIS CE1 C -8.684 7.570 -3.274 1.00 . A A . 52 HIS CE1 1 1 12 9325 1 1 50 HIS CG C -7.045 8.432 -4.470 1.00 . A A . 52 HIS CG 1 1 12 9326 1 1 50 HIS H H -5.013 5.516 -5.267 1.00 . A A . 52 HIS H 1 1 12 9327 1 1 50 HIS HA H -3.959 8.073 -5.832 1.00 . A A . 52 HIS HA 1 1 12 9328 1 1 50 HIS HB2 H -5.724 9.574 -5.677 1.00 . A A . 52 HIS HB2 1 1 12 9329 1 1 50 HIS HB3 H -6.513 8.244 -6.518 1.00 . A A . 52 HIS HB3 1 1 12 9330 1 1 50 HIS HD1 H -8.023 6.631 -5.009 1.00 . A A . 52 HIS HD1 1 1 12 9331 1 1 50 HIS HD2 H -6.772 10.144 -3.146 1.00 . A A . 52 HIS HD2 1 1 12 9332 1 1 50 HIS HE1 H -9.468 6.905 -2.946 1.00 . A A . 52 HIS HE1 1 1 12 9333 1 1 50 HIS N N -5.068 6.288 -5.863 1.00 . A A . 52 HIS N 1 1 12 9334 1 1 50 HIS ND1 N -7.943 7.379 -4.381 1.00 . A A . 52 HIS ND1 1 1 12 9335 1 1 50 HIS NE2 N -8.331 8.684 -2.628 1.00 . A A . 52 HIS NE2 1 1 12 9336 1 1 50 HIS O O -5.356 7.197 -3.028 1.00 . A A . 52 HIS O 1 1 12 9337 1 1 51 PHE C C -4.060 8.473 -1.170 1.00 . A A . 53 PHE C 1 1 12 9338 1 1 51 PHE CA C -2.938 7.862 -2.014 1.00 . A A . 53 PHE CA 1 1 12 9339 1 1 51 PHE CB C -1.658 8.679 -1.812 1.00 . A A . 53 PHE CB 1 1 12 9340 1 1 51 PHE CD1 C -0.185 6.993 -2.964 1.00 . A A . 53 PHE CD1 1 1 12 9341 1 1 51 PHE CD2 C 0.378 7.678 -0.709 1.00 . A A . 53 PHE CD2 1 1 12 9342 1 1 51 PHE CE1 C 0.924 6.138 -2.983 1.00 . A A . 53 PHE CE1 1 1 12 9343 1 1 51 PHE CE2 C 1.489 6.824 -0.727 1.00 . A A . 53 PHE CE2 1 1 12 9344 1 1 51 PHE CG C -0.460 7.761 -1.828 1.00 . A A . 53 PHE CG 1 1 12 9345 1 1 51 PHE CZ C 1.760 6.055 -1.865 1.00 . A A . 53 PHE CZ 1 1 12 9346 1 1 51 PHE H H -2.676 8.190 -4.122 1.00 . A A . 53 PHE H 1 1 12 9347 1 1 51 PHE HA H -2.770 6.841 -1.712 1.00 . A A . 53 PHE HA 1 1 12 9348 1 1 51 PHE HB2 H -1.566 9.404 -2.607 1.00 . A A . 53 PHE HB2 1 1 12 9349 1 1 51 PHE HB3 H -1.705 9.189 -0.864 1.00 . A A . 53 PHE HB3 1 1 12 9350 1 1 51 PHE HD1 H -0.830 7.058 -3.828 1.00 . A A . 53 PHE HD1 1 1 12 9351 1 1 51 PHE HD2 H 0.168 8.272 0.167 1.00 . A A . 53 PHE HD2 1 1 12 9352 1 1 51 PHE HE1 H 1.134 5.545 -3.861 1.00 . A A . 53 PHE HE1 1 1 12 9353 1 1 51 PHE HE2 H 2.135 6.760 0.135 1.00 . A A . 53 PHE HE2 1 1 12 9354 1 1 51 PHE HZ H 2.615 5.396 -1.879 1.00 . A A . 53 PHE HZ 1 1 12 9355 1 1 51 PHE N N -3.324 7.907 -3.453 1.00 . A A . 53 PHE N 1 1 12 9356 1 1 51 PHE O O -4.103 9.668 -0.952 1.00 . A A . 53 PHE O 1 1 12 9357 1 1 52 GLY C C -7.228 7.205 0.182 1.00 . A A . 54 GLY C 1 1 12 9358 1 1 52 GLY CA C -6.080 8.213 0.136 1.00 . A A . 54 GLY CA 1 1 12 9359 1 1 52 GLY H H -4.920 6.706 -0.878 1.00 . A A . 54 GLY H 1 1 12 9360 1 1 52 GLY HA2 H -5.723 8.400 1.137 1.00 . A A . 54 GLY HA2 1 1 12 9361 1 1 52 GLY HA3 H -6.434 9.135 -0.300 1.00 . A A . 54 GLY HA3 1 1 12 9362 1 1 52 GLY N N -4.968 7.667 -0.692 1.00 . A A . 54 GLY N 1 1 12 9363 1 1 52 GLY O O -7.296 6.288 -0.611 1.00 . A A . 54 GLY O 1 1 12 9364 1 1 53 LYS C C -10.218 6.659 0.015 1.00 . A A . 55 LYS C 1 1 12 9365 1 1 53 LYS CA C -9.280 6.424 1.202 1.00 . A A . 55 LYS CA 1 1 12 9366 1 1 53 LYS CB C -10.029 6.676 2.520 1.00 . A A . 55 LYS CB 1 1 12 9367 1 1 53 LYS CD C -12.170 6.344 3.768 1.00 . A A . 55 LYS CD 1 1 12 9368 1 1 53 LYS CE C -13.393 5.430 3.862 1.00 . A A . 55 LYS CE 1 1 12 9369 1 1 53 LYS CG C -11.443 6.090 2.447 1.00 . A A . 55 LYS CG 1 1 12 9370 1 1 53 LYS H H -8.061 8.118 1.733 1.00 . A A . 55 LYS H 1 1 12 9371 1 1 53 LYS HA H -8.914 5.406 1.177 1.00 . A A . 55 LYS HA 1 1 12 9372 1 1 53 LYS HB2 H -9.491 6.209 3.331 1.00 . A A . 55 LYS HB2 1 1 12 9373 1 1 53 LYS HB3 H -10.093 7.739 2.698 1.00 . A A . 55 LYS HB3 1 1 12 9374 1 1 53 LYS HD2 H -11.501 6.139 4.591 1.00 . A A . 55 LYS HD2 1 1 12 9375 1 1 53 LYS HD3 H -12.489 7.374 3.811 1.00 . A A . 55 LYS HD3 1 1 12 9376 1 1 53 LYS HE2 H -13.514 4.892 2.932 1.00 . A A . 55 LYS HE2 1 1 12 9377 1 1 53 LYS HE3 H -13.258 4.727 4.669 1.00 . A A . 55 LYS HE3 1 1 12 9378 1 1 53 LYS HG2 H -11.987 6.562 1.641 1.00 . A A . 55 LYS HG2 1 1 12 9379 1 1 53 LYS HG3 H -11.386 5.027 2.269 1.00 . A A . 55 LYS HG3 1 1 12 9380 1 1 53 LYS HZ1 H -15.455 5.721 3.835 1.00 . A A . 55 LYS HZ1 1 1 12 9381 1 1 53 LYS HZ2 H -14.552 7.136 3.573 1.00 . A A . 55 LYS HZ2 1 1 12 9382 1 1 53 LYS HZ3 H -14.669 6.475 5.134 1.00 . A A . 55 LYS HZ3 1 1 12 9383 1 1 53 LYS N N -8.135 7.369 1.105 1.00 . A A . 55 LYS N 1 1 12 9384 1 1 53 LYS NZ N -14.609 6.253 4.120 1.00 . A A . 55 LYS NZ 1 1 12 9385 1 1 53 LYS O O -10.094 7.632 -0.703 1.00 . A A . 55 LYS O 1 1 12 9386 1 1 54 CYS C C -13.443 6.408 -0.835 1.00 . A A . 56 CYS C 1 1 12 9387 1 1 54 CYS CA C -12.080 5.944 -1.351 1.00 . A A . 56 CYS CA 1 1 12 9388 1 1 54 CYS CB C -12.231 4.611 -2.085 1.00 . A A . 56 CYS CB 1 1 12 9389 1 1 54 CYS H H -11.226 4.987 0.382 1.00 . A A . 56 CYS H 1 1 12 9390 1 1 54 CYS HA H -11.678 6.684 -2.030 1.00 . A A . 56 CYS HA 1 1 12 9391 1 1 54 CYS HB2 H -12.370 3.817 -1.367 1.00 . A A . 56 CYS HB2 1 1 12 9392 1 1 54 CYS HB3 H -13.087 4.656 -2.743 1.00 . A A . 56 CYS HB3 1 1 12 9393 1 1 54 CYS N N -11.147 5.772 -0.204 1.00 . A A . 56 CYS N 1 1 12 9394 1 1 54 CYS O O -13.728 6.169 0.326 1.00 . A A . 56 CYS O 1 1 12 9395 1 1 54 CYS OXT O -14.180 6.997 -1.611 1.00 . A A . 56 CYS OXT 1 1 12 9396 1 1 54 CYS SG S -10.737 4.291 -3.056 1.00 . A A . 56 CYS SG 1 1 13 9397 1 1 1 ALA C C 2.842 7.959 -10.356 1.00 . A A . 3 ALA C 1 1 13 9398 1 1 1 ALA CA C 2.060 7.473 -11.576 1.00 . A A . 3 ALA CA 1 1 13 9399 1 1 1 ALA CB C 0.607 7.212 -11.174 1.00 . A A . 3 ALA CB 1 1 13 9400 1 1 1 ALA H1 H 2.583 5.468 -11.364 1.00 . A A . 3 ALA H1 1 1 13 9401 1 1 1 ALA H2 H 3.675 6.374 -12.299 1.00 . A A . 3 ALA H2 1 1 13 9402 1 1 1 ALA H3 H 2.175 5.912 -12.950 1.00 . A A . 3 ALA H3 1 1 13 9403 1 1 1 ALA HA H 2.091 8.226 -12.348 1.00 . A A . 3 ALA HA 1 1 13 9404 1 1 1 ALA HB1 H 0.507 7.305 -10.103 1.00 . A A . 3 ALA HB1 1 1 13 9405 1 1 1 ALA HB2 H 0.323 6.216 -11.478 1.00 . A A . 3 ALA HB2 1 1 13 9406 1 1 1 ALA HB3 H -0.035 7.933 -11.659 1.00 . A A . 3 ALA HB3 1 1 13 9407 1 1 1 ALA N N 2.670 6.211 -12.085 1.00 . A A . 3 ALA N 1 1 13 9408 1 1 1 ALA O O 3.594 8.910 -10.427 1.00 . A A . 3 ALA O 1 1 13 9409 1 1 2 VAL C C 3.961 6.519 -7.290 1.00 . A A . 4 VAL C 1 1 13 9410 1 1 2 VAL CA C 3.396 7.748 -8.008 1.00 . A A . 4 VAL CA 1 1 13 9411 1 1 2 VAL CB C 2.438 8.493 -7.074 1.00 . A A . 4 VAL CB 1 1 13 9412 1 1 2 VAL CG1 C 3.210 9.560 -6.295 1.00 . A A . 4 VAL CG1 1 1 13 9413 1 1 2 VAL CG2 C 1.332 9.166 -7.895 1.00 . A A . 4 VAL CG2 1 1 13 9414 1 1 2 VAL H H 2.051 6.555 -9.196 1.00 . A A . 4 VAL H 1 1 13 9415 1 1 2 VAL HA H 4.206 8.400 -8.286 1.00 . A A . 4 VAL HA 1 1 13 9416 1 1 2 VAL HB H 1.996 7.793 -6.378 1.00 . A A . 4 VAL HB 1 1 13 9417 1 1 2 VAL HG11 H 4.107 9.823 -6.837 1.00 . A A . 4 VAL HG11 1 1 13 9418 1 1 2 VAL HG12 H 3.478 9.176 -5.323 1.00 . A A . 4 VAL HG12 1 1 13 9419 1 1 2 VAL HG13 H 2.591 10.437 -6.178 1.00 . A A . 4 VAL HG13 1 1 13 9420 1 1 2 VAL HG21 H 1.760 9.596 -8.789 1.00 . A A . 4 VAL HG21 1 1 13 9421 1 1 2 VAL HG22 H 0.870 9.944 -7.307 1.00 . A A . 4 VAL HG22 1 1 13 9422 1 1 2 VAL HG23 H 0.589 8.431 -8.169 1.00 . A A . 4 VAL HG23 1 1 13 9423 1 1 2 VAL N N 2.666 7.317 -9.233 1.00 . A A . 4 VAL N 1 1 13 9424 1 1 2 VAL O O 5.141 6.436 -7.014 1.00 . A A . 4 VAL O 1 1 13 9425 1 1 3 SER C C 4.298 4.735 -4.978 1.00 . A A . 5 SER C 1 1 13 9426 1 1 3 SER CA C 3.605 4.342 -6.286 1.00 . A A . 5 SER CA 1 1 13 9427 1 1 3 SER CB C 4.593 3.595 -7.182 1.00 . A A . 5 SER CB 1 1 13 9428 1 1 3 SER H H 2.179 5.660 -7.220 1.00 . A A . 5 SER H 1 1 13 9429 1 1 3 SER HA H 2.764 3.700 -6.067 1.00 . A A . 5 SER HA 1 1 13 9430 1 1 3 SER HB2 H 4.596 2.548 -6.926 1.00 . A A . 5 SER HB2 1 1 13 9431 1 1 3 SER HB3 H 4.295 3.709 -8.216 1.00 . A A . 5 SER HB3 1 1 13 9432 1 1 3 SER HG H 6.222 3.810 -6.143 1.00 . A A . 5 SER HG 1 1 13 9433 1 1 3 SER N N 3.125 5.568 -6.986 1.00 . A A . 5 SER N 1 1 13 9434 1 1 3 SER O O 4.691 5.869 -4.789 1.00 . A A . 5 SER O 1 1 13 9435 1 1 3 SER OG O 5.897 4.127 -6.988 1.00 . A A . 5 SER OG 1 1 13 9436 1 1 4 VAL C C 6.518 3.513 -2.758 1.00 . A A . 6 VAL C 1 1 13 9437 1 1 4 VAL CA C 5.118 4.126 -2.779 1.00 . A A . 6 VAL CA 1 1 13 9438 1 1 4 VAL CB C 4.292 3.562 -1.622 1.00 . A A . 6 VAL CB 1 1 13 9439 1 1 4 VAL CG1 C 3.075 4.457 -1.377 1.00 . A A . 6 VAL CG1 1 1 13 9440 1 1 4 VAL CG2 C 3.820 2.149 -1.974 1.00 . A A . 6 VAL CG2 1 1 13 9441 1 1 4 VAL H H 4.127 2.896 -4.245 1.00 . A A . 6 VAL H 1 1 13 9442 1 1 4 VAL HA H 5.197 5.197 -2.671 1.00 . A A . 6 VAL HA 1 1 13 9443 1 1 4 VAL HB H 4.900 3.528 -0.730 1.00 . A A . 6 VAL HB 1 1 13 9444 1 1 4 VAL HG11 H 2.639 4.740 -2.323 1.00 . A A . 6 VAL HG11 1 1 13 9445 1 1 4 VAL HG12 H 3.384 5.345 -0.845 1.00 . A A . 6 VAL HG12 1 1 13 9446 1 1 4 VAL HG13 H 2.346 3.922 -0.788 1.00 . A A . 6 VAL HG13 1 1 13 9447 1 1 4 VAL HG21 H 4.654 1.573 -2.350 1.00 . A A . 6 VAL HG21 1 1 13 9448 1 1 4 VAL HG22 H 3.051 2.204 -2.730 1.00 . A A . 6 VAL HG22 1 1 13 9449 1 1 4 VAL HG23 H 3.422 1.672 -1.091 1.00 . A A . 6 VAL HG23 1 1 13 9450 1 1 4 VAL N N 4.451 3.804 -4.074 1.00 . A A . 6 VAL N 1 1 13 9451 1 1 4 VAL O O 6.911 2.803 -3.662 1.00 . A A . 6 VAL O 1 1 13 9452 1 1 5 ASP C C 8.646 1.900 -0.908 1.00 . A A . 7 ASP C 1 1 13 9453 1 1 5 ASP CA C 8.660 3.233 -1.659 1.00 . A A . 7 ASP CA 1 1 13 9454 1 1 5 ASP CB C 9.570 4.219 -0.919 1.00 . A A . 7 ASP CB 1 1 13 9455 1 1 5 ASP CG C 11.033 3.849 -1.168 1.00 . A A . 7 ASP CG 1 1 13 9456 1 1 5 ASP H H 6.944 4.374 -1.021 1.00 . A A . 7 ASP H 1 1 13 9457 1 1 5 ASP HA H 9.039 3.078 -2.658 1.00 . A A . 7 ASP HA 1 1 13 9458 1 1 5 ASP HB2 H 9.384 5.219 -1.280 1.00 . A A . 7 ASP HB2 1 1 13 9459 1 1 5 ASP HB3 H 9.362 4.174 0.138 1.00 . A A . 7 ASP HB3 1 1 13 9460 1 1 5 ASP N N 7.278 3.791 -1.735 1.00 . A A . 7 ASP N 1 1 13 9461 1 1 5 ASP O O 8.548 1.858 0.302 1.00 . A A . 7 ASP O 1 1 13 9462 1 1 5 ASP OD1 O 11.325 2.666 -1.218 1.00 . A A . 7 ASP OD1 1 1 13 9463 1 1 5 ASP OD2 O 11.838 4.757 -1.301 1.00 . A A . 7 ASP OD2 1 1 13 9464 1 1 6 CYS C C 10.231 -0.901 -0.655 1.00 . A A . 8 CYS C 1 1 13 9465 1 1 6 CYS CA C 8.779 -0.521 -0.949 1.00 . A A . 8 CYS CA 1 1 13 9466 1 1 6 CYS CB C 8.149 -1.566 -1.876 1.00 . A A . 8 CYS CB 1 1 13 9467 1 1 6 CYS H H 8.856 0.869 -2.590 1.00 . A A . 8 CYS H 1 1 13 9468 1 1 6 CYS HA H 8.221 -0.473 -0.025 1.00 . A A . 8 CYS HA 1 1 13 9469 1 1 6 CYS HB2 H 8.642 -1.538 -2.836 1.00 . A A . 8 CYS HB2 1 1 13 9470 1 1 6 CYS HB3 H 8.265 -2.548 -1.441 1.00 . A A . 8 CYS HB3 1 1 13 9471 1 1 6 CYS N N 8.763 0.811 -1.618 1.00 . A A . 8 CYS N 1 1 13 9472 1 1 6 CYS O O 10.746 -1.873 -1.173 1.00 . A A . 8 CYS O 1 1 13 9473 1 1 6 CYS SG S 6.387 -1.207 -2.093 1.00 . A A . 8 CYS SG 1 1 13 9474 1 1 7 SER C C 12.587 -1.905 0.577 1.00 . A A . 9 SER C 1 1 13 9475 1 1 7 SER CA C 12.327 -0.398 0.492 1.00 . A A . 9 SER CA 1 1 13 9476 1 1 7 SER CB C 12.666 0.244 1.837 1.00 . A A . 9 SER CB 1 1 13 9477 1 1 7 SER H H 10.451 0.662 0.544 1.00 . A A . 9 SER H 1 1 13 9478 1 1 7 SER HA H 12.958 0.029 -0.273 1.00 . A A . 9 SER HA 1 1 13 9479 1 1 7 SER HB2 H 12.547 -0.480 2.625 1.00 . A A . 9 SER HB2 1 1 13 9480 1 1 7 SER HB3 H 13.692 0.591 1.821 1.00 . A A . 9 SER HB3 1 1 13 9481 1 1 7 SER HG H 11.870 1.948 1.335 1.00 . A A . 9 SER HG 1 1 13 9482 1 1 7 SER N N 10.894 -0.123 0.158 1.00 . A A . 9 SER N 1 1 13 9483 1 1 7 SER O O 13.265 -2.472 -0.260 1.00 . A A . 9 SER O 1 1 13 9484 1 1 7 SER OG O 11.787 1.338 2.072 1.00 . A A . 9 SER OG 1 1 13 9485 1 1 8 GLU C C 11.031 -4.730 2.162 1.00 . A A . 10 GLU C 1 1 13 9486 1 1 8 GLU CA C 12.312 -4.029 1.712 1.00 . A A . 10 GLU CA 1 1 13 9487 1 1 8 GLU CB C 13.418 -4.297 2.743 1.00 . A A . 10 GLU CB 1 1 13 9488 1 1 8 GLU CD C 14.715 -3.361 4.661 1.00 . A A . 10 GLU CD 1 1 13 9489 1 1 8 GLU CG C 13.610 -3.073 3.643 1.00 . A A . 10 GLU CG 1 1 13 9490 1 1 8 GLU H H 11.534 -2.092 2.252 1.00 . A A . 10 GLU H 1 1 13 9491 1 1 8 GLU HA H 12.614 -4.425 0.755 1.00 . A A . 10 GLU HA 1 1 13 9492 1 1 8 GLU HB2 H 13.142 -5.148 3.349 1.00 . A A . 10 GLU HB2 1 1 13 9493 1 1 8 GLU HB3 H 14.343 -4.510 2.227 1.00 . A A . 10 GLU HB3 1 1 13 9494 1 1 8 GLU HG2 H 13.888 -2.221 3.039 1.00 . A A . 10 GLU HG2 1 1 13 9495 1 1 8 GLU HG3 H 12.689 -2.862 4.165 1.00 . A A . 10 GLU HG3 1 1 13 9496 1 1 8 GLU N N 12.071 -2.561 1.581 1.00 . A A . 10 GLU N 1 1 13 9497 1 1 8 GLU O O 10.833 -4.998 3.330 1.00 . A A . 10 GLU O 1 1 13 9498 1 1 8 GLU OE1 O 15.763 -3.831 4.250 1.00 . A A . 10 GLU OE1 1 1 13 9499 1 1 8 GLU OE2 O 14.494 -3.108 5.834 1.00 . A A . 10 GLU OE2 1 1 13 9500 1 1 9 TYR C C 8.926 -7.149 1.012 1.00 . A A . 11 TYR C 1 1 13 9501 1 1 9 TYR CA C 8.902 -5.735 1.602 1.00 . A A . 11 TYR CA 1 1 13 9502 1 1 9 TYR CB C 7.708 -4.964 1.032 1.00 . A A . 11 TYR CB 1 1 13 9503 1 1 9 TYR CD1 C 7.926 -2.778 2.267 1.00 . A A . 11 TYR CD1 1 1 13 9504 1 1 9 TYR CD2 C 6.050 -4.227 2.787 1.00 . A A . 11 TYR CD2 1 1 13 9505 1 1 9 TYR CE1 C 7.472 -1.850 3.213 1.00 . A A . 11 TYR CE1 1 1 13 9506 1 1 9 TYR CE2 C 5.595 -3.297 3.732 1.00 . A A . 11 TYR CE2 1 1 13 9507 1 1 9 TYR CG C 7.217 -3.967 2.055 1.00 . A A . 11 TYR CG 1 1 13 9508 1 1 9 TYR CZ C 6.305 -2.110 3.944 1.00 . A A . 11 TYR CZ 1 1 13 9509 1 1 9 TYR H H 10.352 -4.818 0.304 1.00 . A A . 11 TYR H 1 1 13 9510 1 1 9 TYR HA H 8.816 -5.793 2.677 1.00 . A A . 11 TYR HA 1 1 13 9511 1 1 9 TYR HB2 H 8.013 -4.441 0.137 1.00 . A A . 11 TYR HB2 1 1 13 9512 1 1 9 TYR HB3 H 6.915 -5.655 0.793 1.00 . A A . 11 TYR HB3 1 1 13 9513 1 1 9 TYR HD1 H 8.826 -2.577 1.704 1.00 . A A . 11 TYR HD1 1 1 13 9514 1 1 9 TYR HD2 H 5.502 -5.143 2.624 1.00 . A A . 11 TYR HD2 1 1 13 9515 1 1 9 TYR HE1 H 8.020 -0.934 3.377 1.00 . A A . 11 TYR HE1 1 1 13 9516 1 1 9 TYR HE2 H 4.695 -3.497 4.297 1.00 . A A . 11 TYR HE2 1 1 13 9517 1 1 9 TYR HH H 6.561 -0.561 5.032 1.00 . A A . 11 TYR HH 1 1 13 9518 1 1 9 TYR N N 10.167 -5.037 1.239 1.00 . A A . 11 TYR N 1 1 13 9519 1 1 9 TYR O O 9.726 -7.440 0.144 1.00 . A A . 11 TYR O 1 1 13 9520 1 1 9 TYR OH O 5.856 -1.195 4.873 1.00 . A A . 11 TYR OH 1 1 13 9521 1 1 10 PRO C C 7.758 -7.610 3.931 1.00 . A A . 12 PRO C 1 1 13 9522 1 1 10 PRO CA C 7.082 -7.622 2.555 1.00 . A A . 12 PRO CA 1 1 13 9523 1 1 10 PRO CB C 6.032 -8.734 2.475 1.00 . A A . 12 PRO CB 1 1 13 9524 1 1 10 PRO CD C 7.943 -9.385 1.040 1.00 . A A . 12 PRO CD 1 1 13 9525 1 1 10 PRO CG C 6.723 -9.942 1.798 1.00 . A A . 12 PRO CG 1 1 13 9526 1 1 10 PRO HA H 6.627 -6.668 2.343 1.00 . A A . 12 PRO HA 1 1 13 9527 1 1 10 PRO HB2 H 5.702 -9.000 3.470 1.00 . A A . 12 PRO HB2 1 1 13 9528 1 1 10 PRO HB3 H 5.195 -8.412 1.877 1.00 . A A . 12 PRO HB3 1 1 13 9529 1 1 10 PRO HD2 H 8.834 -9.940 1.297 1.00 . A A . 12 PRO HD2 1 1 13 9530 1 1 10 PRO HD3 H 7.772 -9.412 -0.025 1.00 . A A . 12 PRO HD3 1 1 13 9531 1 1 10 PRO HG2 H 7.042 -10.653 2.548 1.00 . A A . 12 PRO HG2 1 1 13 9532 1 1 10 PRO HG3 H 6.047 -10.414 1.102 1.00 . A A . 12 PRO HG3 1 1 13 9533 1 1 10 PRO N N 8.048 -7.986 1.501 1.00 . A A . 12 PRO N 1 1 13 9534 1 1 10 PRO O O 8.877 -8.059 4.091 1.00 . A A . 12 PRO O 1 1 13 9535 1 1 11 LYS C C 6.753 -7.799 7.270 1.00 . A A . 13 LYS C 1 1 13 9536 1 1 11 LYS CA C 7.676 -7.057 6.293 1.00 . A A . 13 LYS CA 1 1 13 9537 1 1 11 LYS CB C 7.823 -5.598 6.731 1.00 . A A . 13 LYS CB 1 1 13 9538 1 1 11 LYS CD C 8.889 -3.406 6.184 1.00 . A A . 13 LYS CD 1 1 13 9539 1 1 11 LYS CE C 10.145 -2.803 5.550 1.00 . A A . 13 LYS CE 1 1 13 9540 1 1 11 LYS CG C 8.757 -4.870 5.763 1.00 . A A . 13 LYS CG 1 1 13 9541 1 1 11 LYS H H 6.183 -6.745 4.773 1.00 . A A . 13 LYS H 1 1 13 9542 1 1 11 LYS HA H 8.647 -7.529 6.279 1.00 . A A . 13 LYS HA 1 1 13 9543 1 1 11 LYS HB2 H 6.854 -5.122 6.726 1.00 . A A . 13 LYS HB2 1 1 13 9544 1 1 11 LYS HB3 H 8.239 -5.561 7.726 1.00 . A A . 13 LYS HB3 1 1 13 9545 1 1 11 LYS HD2 H 8.020 -2.857 5.854 1.00 . A A . 13 LYS HD2 1 1 13 9546 1 1 11 LYS HD3 H 8.968 -3.346 7.259 1.00 . A A . 13 LYS HD3 1 1 13 9547 1 1 11 LYS HE2 H 10.881 -2.615 6.318 1.00 . A A . 13 LYS HE2 1 1 13 9548 1 1 11 LYS HE3 H 10.548 -3.494 4.824 1.00 . A A . 13 LYS HE3 1 1 13 9549 1 1 11 LYS HG2 H 9.730 -5.340 5.780 1.00 . A A . 13 LYS HG2 1 1 13 9550 1 1 11 LYS HG3 H 8.352 -4.919 4.764 1.00 . A A . 13 LYS HG3 1 1 13 9551 1 1 11 LYS HZ1 H 8.827 -1.244 5.142 1.00 . A A . 13 LYS HZ1 1 1 13 9552 1 1 11 LYS HZ2 H 9.846 -1.647 3.843 1.00 . A A . 13 LYS HZ2 1 1 13 9553 1 1 11 LYS HZ3 H 10.459 -0.781 5.171 1.00 . A A . 13 LYS HZ3 1 1 13 9554 1 1 11 LYS N N 7.084 -7.100 4.927 1.00 . A A . 13 LYS N 1 1 13 9555 1 1 11 LYS NZ N 9.792 -1.522 4.876 1.00 . A A . 13 LYS NZ 1 1 13 9556 1 1 11 LYS O O 5.548 -7.750 7.135 1.00 . A A . 13 LYS O 1 1 13 9557 1 1 12 PRO C C 6.061 -8.327 10.336 1.00 . A A . 14 PRO C 1 1 13 9558 1 1 12 PRO CA C 6.612 -9.243 9.238 1.00 . A A . 14 PRO CA 1 1 13 9559 1 1 12 PRO CB C 7.673 -10.190 9.807 1.00 . A A . 14 PRO CB 1 1 13 9560 1 1 12 PRO CD C 8.821 -8.525 8.374 1.00 . A A . 14 PRO CD 1 1 13 9561 1 1 12 PRO CG C 9.046 -9.536 9.514 1.00 . A A . 14 PRO CG 1 1 13 9562 1 1 12 PRO HA H 5.820 -9.814 8.780 1.00 . A A . 14 PRO HA 1 1 13 9563 1 1 12 PRO HB2 H 7.532 -10.303 10.873 1.00 . A A . 14 PRO HB2 1 1 13 9564 1 1 12 PRO HB3 H 7.616 -11.150 9.319 1.00 . A A . 14 PRO HB3 1 1 13 9565 1 1 12 PRO HD2 H 9.215 -7.556 8.649 1.00 . A A . 14 PRO HD2 1 1 13 9566 1 1 12 PRO HD3 H 9.278 -8.875 7.462 1.00 . A A . 14 PRO HD3 1 1 13 9567 1 1 12 PRO HG2 H 9.411 -9.030 10.399 1.00 . A A . 14 PRO HG2 1 1 13 9568 1 1 12 PRO HG3 H 9.754 -10.288 9.199 1.00 . A A . 14 PRO HG3 1 1 13 9569 1 1 12 PRO N N 7.352 -8.470 8.222 1.00 . A A . 14 PRO N 1 1 13 9570 1 1 12 PRO O O 5.576 -8.785 11.353 1.00 . A A . 14 PRO O 1 1 13 9571 1 1 13 ALA C C 5.126 -4.807 10.530 1.00 . A A . 15 ALA C 1 1 13 9572 1 1 13 ALA CA C 5.606 -6.104 11.187 1.00 . A A . 15 ALA CA 1 1 13 9573 1 1 13 ALA CB C 6.720 -5.780 12.187 1.00 . A A . 15 ALA CB 1 1 13 9574 1 1 13 ALA H H 6.523 -6.681 9.321 1.00 . A A . 15 ALA H 1 1 13 9575 1 1 13 ALA HA H 4.782 -6.570 11.705 1.00 . A A . 15 ALA HA 1 1 13 9576 1 1 13 ALA HB1 H 6.332 -5.137 12.964 1.00 . A A . 15 ALA HB1 1 1 13 9577 1 1 13 ALA HB2 H 7.529 -5.280 11.677 1.00 . A A . 15 ALA HB2 1 1 13 9578 1 1 13 ALA HB3 H 7.085 -6.697 12.629 1.00 . A A . 15 ALA HB3 1 1 13 9579 1 1 13 ALA N N 6.128 -7.036 10.144 1.00 . A A . 15 ALA N 1 1 13 9580 1 1 13 ALA O O 5.864 -4.144 9.830 1.00 . A A . 15 ALA O 1 1 13 9581 1 1 14 CYS C C 3.322 -2.088 11.214 1.00 . A A . 16 CYS C 1 1 13 9582 1 1 14 CYS CA C 3.370 -3.182 10.146 1.00 . A A . 16 CYS CA 1 1 13 9583 1 1 14 CYS CB C 1.958 -3.418 9.597 1.00 . A A . 16 CYS CB 1 1 13 9584 1 1 14 CYS H H 3.313 -4.986 11.324 1.00 . A A . 16 CYS H 1 1 13 9585 1 1 14 CYS HA H 4.023 -2.872 9.348 1.00 . A A . 16 CYS HA 1 1 13 9586 1 1 14 CYS HB2 H 1.412 -4.052 10.278 1.00 . A A . 16 CYS HB2 1 1 13 9587 1 1 14 CYS HB3 H 1.448 -2.470 9.504 1.00 . A A . 16 CYS HB3 1 1 13 9588 1 1 14 CYS N N 3.893 -4.440 10.753 1.00 . A A . 16 CYS N 1 1 13 9589 1 1 14 CYS O O 3.865 -2.234 12.292 1.00 . A A . 16 CYS O 1 1 13 9590 1 1 14 CYS SG S 2.041 -4.219 7.972 1.00 . A A . 16 CYS SG 1 1 13 9591 1 1 15 THR C C 1.173 0.660 11.985 1.00 . A A . 17 THR C 1 1 13 9592 1 1 15 THR CA C 2.601 0.112 11.928 1.00 . A A . 17 THR CA 1 1 13 9593 1 1 15 THR CB C 3.561 1.233 11.523 1.00 . A A . 17 THR CB 1 1 13 9594 1 1 15 THR CG2 C 4.822 1.155 12.381 1.00 . A A . 17 THR CG2 1 1 13 9595 1 1 15 THR H H 2.249 -0.885 10.053 1.00 . A A . 17 THR H 1 1 13 9596 1 1 15 THR HA H 2.881 -0.265 12.900 1.00 . A A . 17 THR HA 1 1 13 9597 1 1 15 THR HB H 3.087 2.189 11.673 1.00 . A A . 17 THR HB 1 1 13 9598 1 1 15 THR HG1 H 3.188 1.433 9.625 1.00 . A A . 17 THR HG1 1 1 13 9599 1 1 15 THR HG21 H 5.421 0.314 12.065 1.00 . A A . 17 THR HG21 1 1 13 9600 1 1 15 THR HG22 H 4.544 1.030 13.418 1.00 . A A . 17 THR HG22 1 1 13 9601 1 1 15 THR HG23 H 5.392 2.066 12.270 1.00 . A A . 17 THR HG23 1 1 13 9602 1 1 15 THR N N 2.679 -0.988 10.928 1.00 . A A . 17 THR N 1 1 13 9603 1 1 15 THR O O 0.376 0.433 11.095 1.00 . A A . 17 THR O 1 1 13 9604 1 1 15 THR OG1 O 3.909 1.083 10.154 1.00 . A A . 17 THR OG1 1 1 13 9605 1 1 16 MET C C -0.622 3.250 12.342 1.00 . A A . 18 MET C 1 1 13 9606 1 1 16 MET CA C -0.534 1.946 13.138 1.00 . A A . 18 MET CA 1 1 13 9607 1 1 16 MET CB C -0.849 2.225 14.611 1.00 . A A . 18 MET CB 1 1 13 9608 1 1 16 MET CE C -4.530 3.589 14.322 1.00 . A A . 18 MET CE 1 1 13 9609 1 1 16 MET CG C -2.351 2.055 14.856 1.00 . A A . 18 MET CG 1 1 13 9610 1 1 16 MET H H 1.501 1.553 13.730 1.00 . A A . 18 MET H 1 1 13 9611 1 1 16 MET HA H -1.248 1.235 12.746 1.00 . A A . 18 MET HA 1 1 13 9612 1 1 16 MET HB2 H -0.302 1.533 15.232 1.00 . A A . 18 MET HB2 1 1 13 9613 1 1 16 MET HB3 H -0.559 3.236 14.856 1.00 . A A . 18 MET HB3 1 1 13 9614 1 1 16 MET HE1 H -4.309 4.073 13.382 1.00 . A A . 18 MET HE1 1 1 13 9615 1 1 16 MET HE2 H -5.342 4.106 14.807 1.00 . A A . 18 MET HE2 1 1 13 9616 1 1 16 MET HE3 H -4.814 2.561 14.145 1.00 . A A . 18 MET HE3 1 1 13 9617 1 1 16 MET HG2 H -2.831 1.731 13.944 1.00 . A A . 18 MET HG2 1 1 13 9618 1 1 16 MET HG3 H -2.509 1.316 15.628 1.00 . A A . 18 MET HG3 1 1 13 9619 1 1 16 MET N N 0.842 1.382 13.024 1.00 . A A . 18 MET N 1 1 13 9620 1 1 16 MET O O -1.574 3.997 12.459 1.00 . A A . 18 MET O 1 1 13 9621 1 1 16 MET SD S -3.064 3.634 15.380 1.00 . A A . 18 MET SD 1 1 13 9622 1 1 17 GLU C C -0.989 4.885 9.974 1.00 . A A . 19 GLU C 1 1 13 9623 1 1 17 GLU CA C 0.336 4.787 10.728 1.00 . A A . 19 GLU CA 1 1 13 9624 1 1 17 GLU CB C 1.488 4.768 9.721 1.00 . A A . 19 GLU CB 1 1 13 9625 1 1 17 GLU CD C 2.805 6.764 8.991 1.00 . A A . 19 GLU CD 1 1 13 9626 1 1 17 GLU CG C 1.456 6.049 8.885 1.00 . A A . 19 GLU CG 1 1 13 9627 1 1 17 GLU H H 1.121 2.918 11.452 1.00 . A A . 19 GLU H 1 1 13 9628 1 1 17 GLU HA H 0.444 5.638 11.385 1.00 . A A . 19 GLU HA 1 1 13 9629 1 1 17 GLU HB2 H 2.429 4.706 10.249 1.00 . A A . 19 GLU HB2 1 1 13 9630 1 1 17 GLU HB3 H 1.383 3.913 9.070 1.00 . A A . 19 GLU HB3 1 1 13 9631 1 1 17 GLU HG2 H 1.261 5.800 7.851 1.00 . A A . 19 GLU HG2 1 1 13 9632 1 1 17 GLU HG3 H 0.677 6.700 9.251 1.00 . A A . 19 GLU HG3 1 1 13 9633 1 1 17 GLU N N 0.363 3.532 11.532 1.00 . A A . 19 GLU N 1 1 13 9634 1 1 17 GLU O O -1.308 4.050 9.149 1.00 . A A . 19 GLU O 1 1 13 9635 1 1 17 GLU OE1 O 3.114 7.245 10.067 1.00 . A A . 19 GLU OE1 1 1 13 9636 1 1 17 GLU OE2 O 3.504 6.818 7.993 1.00 . A A . 19 GLU OE2 1 1 13 9637 1 1 18 TYR C C -2.813 6.634 8.141 1.00 . A A . 20 TYR C 1 1 13 9638 1 1 18 TYR CA C -3.061 6.045 9.523 1.00 . A A . 20 TYR CA 1 1 13 9639 1 1 18 TYR CB C -3.980 6.978 10.292 1.00 . A A . 20 TYR CB 1 1 13 9640 1 1 18 TYR CD1 C -5.577 5.104 10.834 1.00 . A A . 20 TYR CD1 1 1 13 9641 1 1 18 TYR CD2 C -6.455 7.147 9.867 1.00 . A A . 20 TYR CD2 1 1 13 9642 1 1 18 TYR CE1 C -6.869 4.566 10.869 1.00 . A A . 20 TYR CE1 1 1 13 9643 1 1 18 TYR CE2 C -7.746 6.609 9.901 1.00 . A A . 20 TYR CE2 1 1 13 9644 1 1 18 TYR CG C -5.370 6.395 10.333 1.00 . A A . 20 TYR CG 1 1 13 9645 1 1 18 TYR CZ C -7.954 5.319 10.402 1.00 . A A . 20 TYR CZ 1 1 13 9646 1 1 18 TYR H H -1.490 6.568 10.902 1.00 . A A . 20 TYR H 1 1 13 9647 1 1 18 TYR HA H -3.529 5.076 9.424 1.00 . A A . 20 TYR HA 1 1 13 9648 1 1 18 TYR HB2 H -3.605 7.098 11.293 1.00 . A A . 20 TYR HB2 1 1 13 9649 1 1 18 TYR HB3 H -4.006 7.932 9.794 1.00 . A A . 20 TYR HB3 1 1 13 9650 1 1 18 TYR HD1 H -4.740 4.524 11.193 1.00 . A A . 20 TYR HD1 1 1 13 9651 1 1 18 TYR HD2 H -6.295 8.144 9.481 1.00 . A A . 20 TYR HD2 1 1 13 9652 1 1 18 TYR HE1 H -7.028 3.571 11.254 1.00 . A A . 20 TYR HE1 1 1 13 9653 1 1 18 TYR HE2 H -8.583 7.190 9.542 1.00 . A A . 20 TYR HE2 1 1 13 9654 1 1 18 TYR HH H -9.729 5.176 9.713 1.00 . A A . 20 TYR HH 1 1 13 9655 1 1 18 TYR N N -1.764 5.900 10.238 1.00 . A A . 20 TYR N 1 1 13 9656 1 1 18 TYR O O -2.697 7.832 7.969 1.00 . A A . 20 TYR O 1 1 13 9657 1 1 18 TYR OH O -9.228 4.789 10.434 1.00 . A A . 20 TYR OH 1 1 13 9658 1 1 19 ARG C C -3.417 5.534 4.812 1.00 . A A . 21 ARG C 1 1 13 9659 1 1 19 ARG CA C -2.497 6.289 5.776 1.00 . A A . 21 ARG CA 1 1 13 9660 1 1 19 ARG CB C -1.035 6.033 5.398 1.00 . A A . 21 ARG CB 1 1 13 9661 1 1 19 ARG CD C -0.271 8.407 5.577 1.00 . A A . 21 ARG CD 1 1 13 9662 1 1 19 ARG CG C -0.486 7.232 4.621 1.00 . A A . 21 ARG CG 1 1 13 9663 1 1 19 ARG CZ C -1.690 10.328 5.976 1.00 . A A . 21 ARG CZ 1 1 13 9664 1 1 19 ARG H H -2.835 4.844 7.335 1.00 . A A . 21 ARG H 1 1 13 9665 1 1 19 ARG HA H -2.700 7.347 5.729 1.00 . A A . 21 ARG HA 1 1 13 9666 1 1 19 ARG HB2 H -0.453 5.889 6.297 1.00 . A A . 21 ARG HB2 1 1 13 9667 1 1 19 ARG HB3 H -0.972 5.148 4.783 1.00 . A A . 21 ARG HB3 1 1 13 9668 1 1 19 ARG HD2 H -0.589 8.129 6.571 1.00 . A A . 21 ARG HD2 1 1 13 9669 1 1 19 ARG HD3 H 0.777 8.669 5.594 1.00 . A A . 21 ARG HD3 1 1 13 9670 1 1 19 ARG HE H -1.119 9.785 4.155 1.00 . A A . 21 ARG HE 1 1 13 9671 1 1 19 ARG HG2 H 0.456 6.962 4.164 1.00 . A A . 21 ARG HG2 1 1 13 9672 1 1 19 ARG HG3 H -1.190 7.518 3.854 1.00 . A A . 21 ARG HG3 1 1 13 9673 1 1 19 ARG HH11 H -0.014 10.962 6.869 1.00 . A A . 21 ARG HH11 1 1 13 9674 1 1 19 ARG HH12 H -1.492 11.587 7.519 1.00 . A A . 21 ARG HH12 1 1 13 9675 1 1 19 ARG HH21 H -3.512 9.868 5.284 1.00 . A A . 21 ARG HH21 1 1 13 9676 1 1 19 ARG HH22 H -3.475 10.968 6.622 1.00 . A A . 21 ARG HH22 1 1 13 9677 1 1 19 ARG N N -2.735 5.799 7.160 1.00 . A A . 21 ARG N 1 1 13 9678 1 1 19 ARG NE N -1.066 9.578 5.110 1.00 . A A . 21 ARG NE 1 1 13 9679 1 1 19 ARG NH1 N -1.013 11.012 6.857 1.00 . A A . 21 ARG NH1 1 1 13 9680 1 1 19 ARG NH2 N -2.994 10.393 5.958 1.00 . A A . 21 ARG NH2 1 1 13 9681 1 1 19 ARG O O -3.196 4.371 4.540 1.00 . A A . 21 ARG O 1 1 13 9682 1 1 20 PRO C C -4.777 5.494 1.998 1.00 . A A . 22 PRO C 1 1 13 9683 1 1 20 PRO CA C -5.393 5.612 3.392 1.00 . A A . 22 PRO CA 1 1 13 9684 1 1 20 PRO CB C -6.564 6.595 3.402 1.00 . A A . 22 PRO CB 1 1 13 9685 1 1 20 PRO CD C -4.693 7.629 4.645 1.00 . A A . 22 PRO CD 1 1 13 9686 1 1 20 PRO CG C -5.991 7.949 3.882 1.00 . A A . 22 PRO CG 1 1 13 9687 1 1 20 PRO HA H -5.717 4.649 3.749 1.00 . A A . 22 PRO HA 1 1 13 9688 1 1 20 PRO HB2 H -6.970 6.693 2.405 1.00 . A A . 22 PRO HB2 1 1 13 9689 1 1 20 PRO HB3 H -7.328 6.260 4.085 1.00 . A A . 22 PRO HB3 1 1 13 9690 1 1 20 PRO HD2 H -3.886 8.259 4.297 1.00 . A A . 22 PRO HD2 1 1 13 9691 1 1 20 PRO HD3 H -4.838 7.750 5.708 1.00 . A A . 22 PRO HD3 1 1 13 9692 1 1 20 PRO HG2 H -5.780 8.583 3.031 1.00 . A A . 22 PRO HG2 1 1 13 9693 1 1 20 PRO HG3 H -6.692 8.436 4.542 1.00 . A A . 22 PRO HG3 1 1 13 9694 1 1 20 PRO N N -4.426 6.212 4.325 1.00 . A A . 22 PRO N 1 1 13 9695 1 1 20 PRO O O -4.261 6.447 1.450 1.00 . A A . 22 PRO O 1 1 13 9696 1 1 21 LEU C C -5.237 3.407 -0.822 1.00 . A A . 23 LEU C 1 1 13 9697 1 1 21 LEU CA C -4.231 4.134 0.073 1.00 . A A . 23 LEU CA 1 1 13 9698 1 1 21 LEU CB C -2.958 3.295 0.196 1.00 . A A . 23 LEU CB 1 1 13 9699 1 1 21 LEU CD1 C -0.652 3.252 1.156 1.00 . A A . 23 LEU CD1 1 1 13 9700 1 1 21 LEU CD2 C -1.385 5.184 -0.247 1.00 . A A . 23 LEU CD2 1 1 13 9701 1 1 21 LEU CG C -1.836 4.149 0.785 1.00 . A A . 23 LEU CG 1 1 13 9702 1 1 21 LEU H H -5.237 3.568 1.888 1.00 . A A . 23 LEU H 1 1 13 9703 1 1 21 LEU HA H -3.992 5.095 -0.357 1.00 . A A . 23 LEU HA 1 1 13 9704 1 1 21 LEU HB2 H -3.146 2.455 0.846 1.00 . A A . 23 LEU HB2 1 1 13 9705 1 1 21 LEU HB3 H -2.663 2.938 -0.778 1.00 . A A . 23 LEU HB3 1 1 13 9706 1 1 21 LEU HD11 H -0.087 3.714 1.952 1.00 . A A . 23 LEU HD11 1 1 13 9707 1 1 21 LEU HD12 H -0.016 3.120 0.294 1.00 . A A . 23 LEU HD12 1 1 13 9708 1 1 21 LEU HD13 H -1.019 2.290 1.485 1.00 . A A . 23 LEU HD13 1 1 13 9709 1 1 21 LEU HD21 H -1.388 4.737 -1.230 1.00 . A A . 23 LEU HD21 1 1 13 9710 1 1 21 LEU HD22 H -0.388 5.519 -0.006 1.00 . A A . 23 LEU HD22 1 1 13 9711 1 1 21 LEU HD23 H -2.063 6.025 -0.233 1.00 . A A . 23 LEU HD23 1 1 13 9712 1 1 21 LEU HG H -2.197 4.654 1.670 1.00 . A A . 23 LEU HG 1 1 13 9713 1 1 21 LEU N N -4.820 4.324 1.425 1.00 . A A . 23 LEU N 1 1 13 9714 1 1 21 LEU O O -5.555 2.255 -0.605 1.00 . A A . 23 LEU O 1 1 13 9715 1 1 22 CYS C C -5.950 2.694 -3.854 1.00 . A A . 24 CYS C 1 1 13 9716 1 1 22 CYS CA C -6.714 3.398 -2.733 1.00 . A A . 24 CYS CA 1 1 13 9717 1 1 22 CYS CB C -7.656 4.442 -3.338 1.00 . A A . 24 CYS CB 1 1 13 9718 1 1 22 CYS H H -5.466 4.992 -1.996 1.00 . A A . 24 CYS H 1 1 13 9719 1 1 22 CYS HA H -7.287 2.675 -2.169 1.00 . A A . 24 CYS HA 1 1 13 9720 1 1 22 CYS HB2 H -8.014 5.102 -2.561 1.00 . A A . 24 CYS HB2 1 1 13 9721 1 1 22 CYS HB3 H -7.125 5.017 -4.082 1.00 . A A . 24 CYS HB3 1 1 13 9722 1 1 22 CYS N N -5.736 4.065 -1.830 1.00 . A A . 24 CYS N 1 1 13 9723 1 1 22 CYS O O -5.792 3.224 -4.936 1.00 . A A . 24 CYS O 1 1 13 9724 1 1 22 CYS SG S -9.061 3.604 -4.111 1.00 . A A . 24 CYS SG 1 1 13 9725 1 1 23 GLY C C -5.420 0.856 -5.979 1.00 . A A . 25 GLY C 1 1 13 9726 1 1 23 GLY CA C -4.703 0.754 -4.634 1.00 . A A . 25 GLY CA 1 1 13 9727 1 1 23 GLY H H -5.606 1.104 -2.712 1.00 . A A . 25 GLY H 1 1 13 9728 1 1 23 GLY HA2 H -3.710 1.173 -4.721 1.00 . A A . 25 GLY HA2 1 1 13 9729 1 1 23 GLY HA3 H -4.631 -0.284 -4.347 1.00 . A A . 25 GLY HA3 1 1 13 9730 1 1 23 GLY N N -5.469 1.503 -3.595 1.00 . A A . 25 GLY N 1 1 13 9731 1 1 23 GLY O O -6.622 1.034 -6.036 1.00 . A A . 25 GLY O 1 1 13 9732 1 1 24 SER C C -6.501 -0.141 -8.515 1.00 . A A . 26 SER C 1 1 13 9733 1 1 24 SER CA C -5.326 0.835 -8.411 1.00 . A A . 26 SER CA 1 1 13 9734 1 1 24 SER CB C -4.293 0.491 -9.482 1.00 . A A . 26 SER CB 1 1 13 9735 1 1 24 SER H H -3.718 0.596 -6.989 1.00 . A A . 26 SER H 1 1 13 9736 1 1 24 SER HA H -5.683 1.841 -8.570 1.00 . A A . 26 SER HA 1 1 13 9737 1 1 24 SER HB2 H -4.535 1.003 -10.399 1.00 . A A . 26 SER HB2 1 1 13 9738 1 1 24 SER HB3 H -3.316 0.803 -9.147 1.00 . A A . 26 SER HB3 1 1 13 9739 1 1 24 SER HG H -4.504 -1.347 -8.884 1.00 . A A . 26 SER HG 1 1 13 9740 1 1 24 SER N N -4.691 0.741 -7.062 1.00 . A A . 26 SER N 1 1 13 9741 1 1 24 SER O O -7.338 -0.025 -9.388 1.00 . A A . 26 SER O 1 1 13 9742 1 1 24 SER OG O -4.305 -0.911 -9.714 1.00 . A A . 26 SER OG 1 1 13 9743 1 1 25 ASP C C -8.915 -1.532 -6.949 1.00 . A A . 27 ASP C 1 1 13 9744 1 1 25 ASP CA C -7.700 -2.083 -7.702 1.00 . A A . 27 ASP CA 1 1 13 9745 1 1 25 ASP CB C -7.259 -3.404 -7.070 1.00 . A A . 27 ASP CB 1 1 13 9746 1 1 25 ASP CG C -7.221 -3.264 -5.549 1.00 . A A . 27 ASP CG 1 1 13 9747 1 1 25 ASP H H -5.893 -1.188 -6.941 1.00 . A A . 27 ASP H 1 1 13 9748 1 1 25 ASP HA H -7.965 -2.252 -8.735 1.00 . A A . 27 ASP HA 1 1 13 9749 1 1 25 ASP HB2 H -7.957 -4.181 -7.343 1.00 . A A . 27 ASP HB2 1 1 13 9750 1 1 25 ASP HB3 H -6.275 -3.663 -7.429 1.00 . A A . 27 ASP HB3 1 1 13 9751 1 1 25 ASP N N -6.576 -1.104 -7.637 1.00 . A A . 27 ASP N 1 1 13 9752 1 1 25 ASP O O -9.792 -2.269 -6.545 1.00 . A A . 27 ASP O 1 1 13 9753 1 1 25 ASP OD1 O -6.470 -2.430 -5.068 1.00 . A A . 27 ASP OD1 1 1 13 9754 1 1 25 ASP OD2 O -7.944 -3.992 -4.888 1.00 . A A . 27 ASP OD2 1 1 13 9755 1 1 26 ASN C C -10.216 -0.214 -4.626 1.00 . A A . 28 ASN C 1 1 13 9756 1 1 26 ASN CA C -10.140 0.352 -6.044 1.00 . A A . 28 ASN CA 1 1 13 9757 1 1 26 ASN CB C -11.431 0.012 -6.794 1.00 . A A . 28 ASN CB 1 1 13 9758 1 1 26 ASN CG C -12.255 1.286 -7.000 1.00 . A A . 28 ASN CG 1 1 13 9759 1 1 26 ASN H H -8.265 0.334 -7.101 1.00 . A A . 28 ASN H 1 1 13 9760 1 1 26 ASN HA H -10.024 1.425 -5.998 1.00 . A A . 28 ASN HA 1 1 13 9761 1 1 26 ASN HB2 H -11.185 -0.418 -7.754 1.00 . A A . 28 ASN HB2 1 1 13 9762 1 1 26 ASN HB3 H -12.005 -0.695 -6.217 1.00 . A A . 28 ASN HB3 1 1 13 9763 1 1 26 ASN HD21 H -10.717 2.346 -7.675 1.00 . A A . 28 ASN HD21 1 1 13 9764 1 1 26 ASN HD22 H -12.195 3.177 -7.599 1.00 . A A . 28 ASN HD22 1 1 13 9765 1 1 26 ASN N N -8.979 -0.242 -6.764 1.00 . A A . 28 ASN N 1 1 13 9766 1 1 26 ASN ND2 N -11.675 2.358 -7.463 1.00 . A A . 28 ASN ND2 1 1 13 9767 1 1 26 ASN O O -11.284 -0.496 -4.121 1.00 . A A . 28 ASN O 1 1 13 9768 1 1 26 ASN OD1 O -13.442 1.302 -6.736 1.00 . A A . 28 ASN OD1 1 1 13 9769 1 1 27 LYS C C -8.457 0.022 -1.615 1.00 . A A . 29 LYS C 1 1 13 9770 1 1 27 LYS CA C -9.133 -0.941 -2.590 1.00 . A A . 29 LYS CA 1 1 13 9771 1 1 27 LYS CB C -8.409 -2.288 -2.552 1.00 . A A . 29 LYS CB 1 1 13 9772 1 1 27 LYS CD C -9.845 -3.486 -0.894 1.00 . A A . 29 LYS CD 1 1 13 9773 1 1 27 LYS CE C -11.358 -3.693 -0.804 1.00 . A A . 29 LYS CE 1 1 13 9774 1 1 27 LYS CG C -9.428 -3.415 -2.364 1.00 . A A . 29 LYS CG 1 1 13 9775 1 1 27 LYS H H -8.238 -0.156 -4.399 1.00 . A A . 29 LYS H 1 1 13 9776 1 1 27 LYS HA H -10.159 -1.082 -2.290 1.00 . A A . 29 LYS HA 1 1 13 9777 1 1 27 LYS HB2 H -7.875 -2.433 -3.479 1.00 . A A . 29 LYS HB2 1 1 13 9778 1 1 27 LYS HB3 H -7.710 -2.297 -1.729 1.00 . A A . 29 LYS HB3 1 1 13 9779 1 1 27 LYS HD2 H -9.338 -4.311 -0.415 1.00 . A A . 29 LYS HD2 1 1 13 9780 1 1 27 LYS HD3 H -9.580 -2.564 -0.399 1.00 . A A . 29 LYS HD3 1 1 13 9781 1 1 27 LYS HE2 H -11.665 -3.661 0.232 1.00 . A A . 29 LYS HE2 1 1 13 9782 1 1 27 LYS HE3 H -11.863 -2.913 -1.352 1.00 . A A . 29 LYS HE3 1 1 13 9783 1 1 27 LYS HG2 H -10.296 -3.220 -2.977 1.00 . A A . 29 LYS HG2 1 1 13 9784 1 1 27 LYS HG3 H -8.983 -4.353 -2.656 1.00 . A A . 29 LYS HG3 1 1 13 9785 1 1 27 LYS HZ1 H -11.151 -5.185 -2.242 1.00 . A A . 29 LYS HZ1 1 1 13 9786 1 1 27 LYS HZ2 H -12.726 -5.032 -1.623 1.00 . A A . 29 LYS HZ2 1 1 13 9787 1 1 27 LYS HZ3 H -11.513 -5.767 -0.690 1.00 . A A . 29 LYS HZ3 1 1 13 9788 1 1 27 LYS N N -9.096 -0.387 -3.976 1.00 . A A . 29 LYS N 1 1 13 9789 1 1 27 LYS NZ N -11.714 -5.020 -1.384 1.00 . A A . 29 LYS NZ 1 1 13 9790 1 1 27 LYS O O -7.429 0.594 -1.904 1.00 . A A . 29 LYS O 1 1 13 9791 1 1 28 THR C C -7.431 0.315 1.408 1.00 . A A . 30 THR C 1 1 13 9792 1 1 28 THR CA C -8.411 1.112 0.546 1.00 . A A . 30 THR CA 1 1 13 9793 1 1 28 THR CB C -9.503 1.717 1.429 1.00 . A A . 30 THR CB 1 1 13 9794 1 1 28 THR CG2 C -8.864 2.615 2.490 1.00 . A A . 30 THR CG2 1 1 13 9795 1 1 28 THR H H -9.854 -0.282 -0.237 1.00 . A A . 30 THR H 1 1 13 9796 1 1 28 THR HA H -7.881 1.901 0.034 1.00 . A A . 30 THR HA 1 1 13 9797 1 1 28 THR HB H -10.053 0.927 1.917 1.00 . A A . 30 THR HB 1 1 13 9798 1 1 28 THR HG1 H -10.855 1.884 0.042 1.00 . A A . 30 THR HG1 1 1 13 9799 1 1 28 THR HG21 H -9.124 3.645 2.292 1.00 . A A . 30 THR HG21 1 1 13 9800 1 1 28 THR HG22 H -7.790 2.502 2.456 1.00 . A A . 30 THR HG22 1 1 13 9801 1 1 28 THR HG23 H -9.226 2.332 3.467 1.00 . A A . 30 THR HG23 1 1 13 9802 1 1 28 THR N N -9.026 0.195 -0.454 1.00 . A A . 30 THR N 1 1 13 9803 1 1 28 THR O O -7.707 -0.799 1.808 1.00 . A A . 30 THR O 1 1 13 9804 1 1 28 THR OG1 O -10.387 2.485 0.623 1.00 . A A . 30 THR OG1 1 1 13 9805 1 1 29 TYR C C -5.029 0.908 3.805 1.00 . A A . 31 TYR C 1 1 13 9806 1 1 29 TYR CA C -5.288 0.137 2.513 1.00 . A A . 31 TYR CA 1 1 13 9807 1 1 29 TYR CB C -3.996 -0.006 1.714 1.00 . A A . 31 TYR CB 1 1 13 9808 1 1 29 TYR CD1 C -4.107 -2.524 1.601 1.00 . A A . 31 TYR CD1 1 1 13 9809 1 1 29 TYR CD2 C -4.016 -1.265 -0.469 1.00 . A A . 31 TYR CD2 1 1 13 9810 1 1 29 TYR CE1 C -4.152 -3.718 0.872 1.00 . A A . 31 TYR CE1 1 1 13 9811 1 1 29 TYR CE2 C -4.062 -2.460 -1.198 1.00 . A A . 31 TYR CE2 1 1 13 9812 1 1 29 TYR CG C -4.038 -1.297 0.931 1.00 . A A . 31 TYR CG 1 1 13 9813 1 1 29 TYR CZ C -4.130 -3.686 -0.528 1.00 . A A . 31 TYR CZ 1 1 13 9814 1 1 29 TYR H H -6.075 1.763 1.354 1.00 . A A . 31 TYR H 1 1 13 9815 1 1 29 TYR HA H -5.666 -0.841 2.757 1.00 . A A . 31 TYR HA 1 1 13 9816 1 1 29 TYR HB2 H -3.903 0.823 1.031 1.00 . A A . 31 TYR HB2 1 1 13 9817 1 1 29 TYR HB3 H -3.155 -0.018 2.387 1.00 . A A . 31 TYR HB3 1 1 13 9818 1 1 29 TYR HD1 H -4.124 -2.548 2.681 1.00 . A A . 31 TYR HD1 1 1 13 9819 1 1 29 TYR HD2 H -3.963 -0.320 -0.987 1.00 . A A . 31 TYR HD2 1 1 13 9820 1 1 29 TYR HE1 H -4.206 -4.666 1.390 1.00 . A A . 31 TYR HE1 1 1 13 9821 1 1 29 TYR HE2 H -4.046 -2.435 -2.277 1.00 . A A . 31 TYR HE2 1 1 13 9822 1 1 29 TYR HH H -4.624 -5.521 -0.708 1.00 . A A . 31 TYR HH 1 1 13 9823 1 1 29 TYR N N -6.285 0.867 1.689 1.00 . A A . 31 TYR N 1 1 13 9824 1 1 29 TYR O O -5.211 2.107 3.877 1.00 . A A . 31 TYR O 1 1 13 9825 1 1 29 TYR OH O -4.177 -4.863 -1.246 1.00 . A A . 31 TYR OH 1 1 13 9826 1 1 30 GLY C C -3.129 1.802 6.009 1.00 . A A . 32 GLY C 1 1 13 9827 1 1 30 GLY CA C -4.356 0.903 6.128 1.00 . A A . 32 GLY CA 1 1 13 9828 1 1 30 GLY H H -4.483 -0.744 4.749 1.00 . A A . 32 GLY H 1 1 13 9829 1 1 30 GLY HA2 H -5.215 1.501 6.396 1.00 . A A . 32 GLY HA2 1 1 13 9830 1 1 30 GLY HA3 H -4.182 0.163 6.894 1.00 . A A . 32 GLY HA3 1 1 13 9831 1 1 30 GLY N N -4.616 0.222 4.831 1.00 . A A . 32 GLY N 1 1 13 9832 1 1 30 GLY O O -3.016 2.799 6.692 1.00 . A A . 32 GLY O 1 1 13 9833 1 1 31 ASN C C -0.014 1.706 4.006 1.00 . A A . 33 ASN C 1 1 13 9834 1 1 31 ASN CA C -0.995 2.323 5.008 1.00 . A A . 33 ASN CA 1 1 13 9835 1 1 31 ASN CB C -0.307 2.462 6.369 1.00 . A A . 33 ASN CB 1 1 13 9836 1 1 31 ASN CG C 0.027 1.073 6.918 1.00 . A A . 33 ASN CG 1 1 13 9837 1 1 31 ASN H H -2.310 0.662 4.599 1.00 . A A . 33 ASN H 1 1 13 9838 1 1 31 ASN HA H -1.290 3.302 4.660 1.00 . A A . 33 ASN HA 1 1 13 9839 1 1 31 ASN HB2 H 0.601 3.034 6.255 1.00 . A A . 33 ASN HB2 1 1 13 9840 1 1 31 ASN HB3 H -0.966 2.970 7.056 1.00 . A A . 33 ASN HB3 1 1 13 9841 1 1 31 ASN HD21 H 0.385 1.728 8.757 1.00 . A A . 33 ASN HD21 1 1 13 9842 1 1 31 ASN HD22 H 0.567 0.055 8.535 1.00 . A A . 33 ASN HD22 1 1 13 9843 1 1 31 ASN N N -2.205 1.467 5.149 1.00 . A A . 33 ASN N 1 1 13 9844 1 1 31 ASN ND2 N 0.354 0.941 8.175 1.00 . A A . 33 ASN ND2 1 1 13 9845 1 1 31 ASN O O -0.331 0.776 3.291 1.00 . A A . 33 ASN O 1 1 13 9846 1 1 31 ASN OD1 O -0.011 0.096 6.194 1.00 . A A . 33 ASN OD1 1 1 13 9847 1 1 32 LYS C C 2.639 0.311 3.370 1.00 . A A . 34 LYS C 1 1 13 9848 1 1 32 LYS CA C 2.208 1.734 2.998 1.00 . A A . 34 LYS CA 1 1 13 9849 1 1 32 LYS CB C 3.428 2.659 3.047 1.00 . A A . 34 LYS CB 1 1 13 9850 1 1 32 LYS CD C 5.813 2.852 2.319 1.00 . A A . 34 LYS CD 1 1 13 9851 1 1 32 LYS CE C 5.832 4.290 1.798 1.00 . A A . 34 LYS CE 1 1 13 9852 1 1 32 LYS CG C 4.458 2.214 2.005 1.00 . A A . 34 LYS CG 1 1 13 9853 1 1 32 LYS H H 1.383 2.994 4.531 1.00 . A A . 34 LYS H 1 1 13 9854 1 1 32 LYS HA H 1.801 1.735 1.998 1.00 . A A . 34 LYS HA 1 1 13 9855 1 1 32 LYS HB2 H 3.118 3.673 2.836 1.00 . A A . 34 LYS HB2 1 1 13 9856 1 1 32 LYS HB3 H 3.872 2.617 4.032 1.00 . A A . 34 LYS HB3 1 1 13 9857 1 1 32 LYS HD2 H 5.971 2.853 3.388 1.00 . A A . 34 LYS HD2 1 1 13 9858 1 1 32 LYS HD3 H 6.597 2.287 1.838 1.00 . A A . 34 LYS HD3 1 1 13 9859 1 1 32 LYS HE2 H 6.043 4.286 0.739 1.00 . A A . 34 LYS HE2 1 1 13 9860 1 1 32 LYS HE3 H 4.869 4.750 1.972 1.00 . A A . 34 LYS HE3 1 1 13 9861 1 1 32 LYS HG2 H 4.554 1.139 2.031 1.00 . A A . 34 LYS HG2 1 1 13 9862 1 1 32 LYS HG3 H 4.135 2.524 1.023 1.00 . A A . 34 LYS HG3 1 1 13 9863 1 1 32 LYS HZ1 H 7.623 4.412 2.854 1.00 . A A . 34 LYS HZ1 1 1 13 9864 1 1 32 LYS HZ2 H 6.462 5.561 3.322 1.00 . A A . 34 LYS HZ2 1 1 13 9865 1 1 32 LYS HZ3 H 7.312 5.753 1.862 1.00 . A A . 34 LYS HZ3 1 1 13 9866 1 1 32 LYS N N 1.174 2.240 3.949 1.00 . A A . 34 LYS N 1 1 13 9867 1 1 32 LYS NZ N 6.887 5.062 2.513 1.00 . A A . 34 LYS NZ 1 1 13 9868 1 1 32 LYS O O 3.227 -0.388 2.572 1.00 . A A . 34 LYS O 1 1 13 9869 1 1 33 CYS C C 1.816 -2.505 4.280 1.00 . A A . 35 CYS C 1 1 13 9870 1 1 33 CYS CA C 2.766 -1.510 4.946 1.00 . A A . 35 CYS CA 1 1 13 9871 1 1 33 CYS CB C 2.695 -1.656 6.464 1.00 . A A . 35 CYS CB 1 1 13 9872 1 1 33 CYS H H 1.882 0.433 5.208 1.00 . A A . 35 CYS H 1 1 13 9873 1 1 33 CYS HA H 3.776 -1.694 4.610 1.00 . A A . 35 CYS HA 1 1 13 9874 1 1 33 CYS HB2 H 3.219 -0.832 6.927 1.00 . A A . 35 CYS HB2 1 1 13 9875 1 1 33 CYS HB3 H 1.663 -1.646 6.777 1.00 . A A . 35 CYS HB3 1 1 13 9876 1 1 33 CYS N N 2.358 -0.132 4.565 1.00 . A A . 35 CYS N 1 1 13 9877 1 1 33 CYS O O 2.215 -3.566 3.840 1.00 . A A . 35 CYS O 1 1 13 9878 1 1 33 CYS SG S 3.475 -3.216 6.959 1.00 . A A . 35 CYS SG 1 1 13 9879 1 1 34 ASN C C -0.376 -2.850 2.030 1.00 . A A . 36 ASN C 1 1 13 9880 1 1 34 ASN CA C -0.422 -3.066 3.545 1.00 . A A . 36 ASN CA 1 1 13 9881 1 1 34 ASN CB C -1.820 -2.735 4.067 1.00 . A A . 36 ASN CB 1 1 13 9882 1 1 34 ASN CG C -2.537 -4.024 4.469 1.00 . A A . 36 ASN CG 1 1 13 9883 1 1 34 ASN H H 0.263 -1.296 4.543 1.00 . A A . 36 ASN H 1 1 13 9884 1 1 34 ASN HA H -0.181 -4.092 3.777 1.00 . A A . 36 ASN HA 1 1 13 9885 1 1 34 ASN HB2 H -1.736 -2.084 4.927 1.00 . A A . 36 ASN HB2 1 1 13 9886 1 1 34 ASN HB3 H -2.381 -2.234 3.295 1.00 . A A . 36 ASN HB3 1 1 13 9887 1 1 34 ASN HD21 H -1.644 -4.133 6.238 1.00 . A A . 36 ASN HD21 1 1 13 9888 1 1 34 ASN HD22 H -2.739 -5.385 5.899 1.00 . A A . 36 ASN HD22 1 1 13 9889 1 1 34 ASN N N 0.561 -2.160 4.192 1.00 . A A . 36 ASN N 1 1 13 9890 1 1 34 ASN ND2 N -2.285 -4.558 5.632 1.00 . A A . 36 ASN ND2 1 1 13 9891 1 1 34 ASN O O -0.919 -3.623 1.264 1.00 . A A . 36 ASN O 1 1 13 9892 1 1 34 ASN OD1 O -3.331 -4.550 3.715 1.00 . A A . 36 ASN OD1 1 1 13 9893 1 1 35 PHE C C 1.558 -2.263 -0.464 1.00 . A A . 37 PHE C 1 1 13 9894 1 1 35 PHE CA C 0.356 -1.523 0.135 1.00 . A A . 37 PHE CA 1 1 13 9895 1 1 35 PHE CB C 0.529 -0.018 -0.085 1.00 . A A . 37 PHE CB 1 1 13 9896 1 1 35 PHE CD1 C -0.749 0.501 -2.203 1.00 . A A . 37 PHE CD1 1 1 13 9897 1 1 35 PHE CD2 C 1.669 0.325 -2.303 1.00 . A A . 37 PHE CD2 1 1 13 9898 1 1 35 PHE CE1 C -0.785 0.771 -3.578 1.00 . A A . 37 PHE CE1 1 1 13 9899 1 1 35 PHE CE2 C 1.633 0.595 -3.674 1.00 . A A . 37 PHE CE2 1 1 13 9900 1 1 35 PHE CG C 0.480 0.277 -1.566 1.00 . A A . 37 PHE CG 1 1 13 9901 1 1 35 PHE CZ C 0.408 0.818 -4.312 1.00 . A A . 37 PHE CZ 1 1 13 9902 1 1 35 PHE H H 0.697 -1.192 2.232 1.00 . A A . 37 PHE H 1 1 13 9903 1 1 35 PHE HA H -0.550 -1.856 -0.351 1.00 . A A . 37 PHE HA 1 1 13 9904 1 1 35 PHE HB2 H -0.263 0.517 0.422 1.00 . A A . 37 PHE HB2 1 1 13 9905 1 1 35 PHE HB3 H 1.483 0.295 0.312 1.00 . A A . 37 PHE HB3 1 1 13 9906 1 1 35 PHE HD1 H -1.667 0.464 -1.635 1.00 . A A . 37 PHE HD1 1 1 13 9907 1 1 35 PHE HD2 H 2.615 0.152 -1.811 1.00 . A A . 37 PHE HD2 1 1 13 9908 1 1 35 PHE HE1 H -1.732 0.943 -4.073 1.00 . A A . 37 PHE HE1 1 1 13 9909 1 1 35 PHE HE2 H 2.551 0.631 -4.242 1.00 . A A . 37 PHE HE2 1 1 13 9910 1 1 35 PHE HZ H 0.382 1.026 -5.370 1.00 . A A . 37 PHE HZ 1 1 13 9911 1 1 35 PHE N N 0.270 -1.801 1.596 1.00 . A A . 37 PHE N 1 1 13 9912 1 1 35 PHE O O 1.449 -2.928 -1.475 1.00 . A A . 37 PHE O 1 1 13 9913 1 1 36 CYS C C 3.717 -4.360 -0.227 1.00 . A A . 38 CYS C 1 1 13 9914 1 1 36 CYS CA C 3.906 -2.855 -0.382 1.00 . A A . 38 CYS CA 1 1 13 9915 1 1 36 CYS CB C 5.151 -2.413 0.393 1.00 . A A . 38 CYS CB 1 1 13 9916 1 1 36 CYS H H 2.773 -1.619 0.967 1.00 . A A . 38 CYS H 1 1 13 9917 1 1 36 CYS HA H 4.028 -2.613 -1.427 1.00 . A A . 38 CYS HA 1 1 13 9918 1 1 36 CYS HB2 H 4.910 -2.327 1.442 1.00 . A A . 38 CYS HB2 1 1 13 9919 1 1 36 CYS HB3 H 5.935 -3.144 0.265 1.00 . A A . 38 CYS HB3 1 1 13 9920 1 1 36 CYS N N 2.703 -2.156 0.153 1.00 . A A . 38 CYS N 1 1 13 9921 1 1 36 CYS O O 4.192 -5.143 -1.025 1.00 . A A . 38 CYS O 1 1 13 9922 1 1 36 CYS SG S 5.715 -0.809 -0.229 1.00 . A A . 38 CYS SG 1 1 13 9923 1 1 37 ASN C C 1.720 -6.693 0.012 1.00 . A A . 39 ASN C 1 1 13 9924 1 1 37 ASN CA C 2.785 -6.228 0.994 1.00 . A A . 39 ASN CA 1 1 13 9925 1 1 37 ASN CB C 2.315 -6.486 2.425 1.00 . A A . 39 ASN CB 1 1 13 9926 1 1 37 ASN CG C 3.335 -7.368 3.146 1.00 . A A . 39 ASN CG 1 1 13 9927 1 1 37 ASN H H 2.633 -4.120 1.419 1.00 . A A . 39 ASN H 1 1 13 9928 1 1 37 ASN HA H 3.701 -6.765 0.804 1.00 . A A . 39 ASN HA 1 1 13 9929 1 1 37 ASN HB2 H 2.217 -5.544 2.946 1.00 . A A . 39 ASN HB2 1 1 13 9930 1 1 37 ASN HB3 H 1.359 -6.986 2.405 1.00 . A A . 39 ASN HB3 1 1 13 9931 1 1 37 ASN HD21 H 2.456 -9.066 2.612 1.00 . A A . 39 ASN HD21 1 1 13 9932 1 1 37 ASN HD22 H 3.851 -9.240 3.561 1.00 . A A . 39 ASN HD22 1 1 13 9933 1 1 37 ASN N N 3.015 -4.771 0.792 1.00 . A A . 39 ASN N 1 1 13 9934 1 1 37 ASN ND2 N 3.202 -8.666 3.104 1.00 . A A . 39 ASN ND2 1 1 13 9935 1 1 37 ASN O O 1.879 -7.684 -0.672 1.00 . A A . 39 ASN O 1 1 13 9936 1 1 37 ASN OD1 O 4.260 -6.872 3.756 1.00 . A A . 39 ASN OD1 1 1 13 9937 1 1 38 ALA C C 0.218 -6.338 -2.444 1.00 . A A . 40 ALA C 1 1 13 9938 1 1 38 ALA CA C -0.412 -6.354 -1.054 1.00 . A A . 40 ALA CA 1 1 13 9939 1 1 38 ALA CB C -1.560 -5.347 -0.993 1.00 . A A . 40 ALA CB 1 1 13 9940 1 1 38 ALA H H 0.550 -5.161 0.459 1.00 . A A . 40 ALA H 1 1 13 9941 1 1 38 ALA HA H -0.775 -7.347 -0.827 1.00 . A A . 40 ALA HA 1 1 13 9942 1 1 38 ALA HB1 H -1.163 -4.360 -0.801 1.00 . A A . 40 ALA HB1 1 1 13 9943 1 1 38 ALA HB2 H -2.238 -5.621 -0.198 1.00 . A A . 40 ALA HB2 1 1 13 9944 1 1 38 ALA HB3 H -2.089 -5.345 -1.934 1.00 . A A . 40 ALA HB3 1 1 13 9945 1 1 38 ALA N N 0.646 -5.969 -0.086 1.00 . A A . 40 ALA N 1 1 13 9946 1 1 38 ALA O O -0.256 -6.967 -3.370 1.00 . A A . 40 ALA O 1 1 13 9947 1 1 39 VAL C C 2.881 -6.805 -4.044 1.00 . A A . 41 VAL C 1 1 13 9948 1 1 39 VAL CA C 2.005 -5.561 -3.890 1.00 . A A . 41 VAL CA 1 1 13 9949 1 1 39 VAL CB C 2.888 -4.312 -3.937 1.00 . A A . 41 VAL CB 1 1 13 9950 1 1 39 VAL CG1 C 3.809 -4.381 -5.155 1.00 . A A . 41 VAL CG1 1 1 13 9951 1 1 39 VAL CG2 C 2.008 -3.064 -4.033 1.00 . A A . 41 VAL CG2 1 1 13 9952 1 1 39 VAL H H 1.671 -5.139 -1.812 1.00 . A A . 41 VAL H 1 1 13 9953 1 1 39 VAL HA H 1.281 -5.524 -4.688 1.00 . A A . 41 VAL HA 1 1 13 9954 1 1 39 VAL HB H 3.486 -4.265 -3.038 1.00 . A A . 41 VAL HB 1 1 13 9955 1 1 39 VAL HG11 H 3.215 -4.330 -6.057 1.00 . A A . 41 VAL HG11 1 1 13 9956 1 1 39 VAL HG12 H 4.359 -5.311 -5.138 1.00 . A A . 41 VAL HG12 1 1 13 9957 1 1 39 VAL HG13 H 4.500 -3.553 -5.133 1.00 . A A . 41 VAL HG13 1 1 13 9958 1 1 39 VAL HG21 H 1.986 -2.717 -5.056 1.00 . A A . 41 VAL HG21 1 1 13 9959 1 1 39 VAL HG22 H 2.412 -2.288 -3.400 1.00 . A A . 41 VAL HG22 1 1 13 9960 1 1 39 VAL HG23 H 1.006 -3.304 -3.712 1.00 . A A . 41 VAL HG23 1 1 13 9961 1 1 39 VAL N N 1.306 -5.626 -2.581 1.00 . A A . 41 VAL N 1 1 13 9962 1 1 39 VAL O O 3.084 -7.302 -5.135 1.00 . A A . 41 VAL O 1 1 13 9963 1 1 40 VAL C C 3.399 -9.734 -3.429 1.00 . A A . 42 VAL C 1 1 13 9964 1 1 40 VAL CA C 4.259 -8.532 -3.050 1.00 . A A . 42 VAL CA 1 1 13 9965 1 1 40 VAL CB C 4.929 -8.795 -1.700 1.00 . A A . 42 VAL CB 1 1 13 9966 1 1 40 VAL CG1 C 5.623 -10.158 -1.735 1.00 . A A . 42 VAL CG1 1 1 13 9967 1 1 40 VAL CG2 C 5.964 -7.704 -1.426 1.00 . A A . 42 VAL CG2 1 1 13 9968 1 1 40 VAL H H 3.222 -6.904 -2.083 1.00 . A A . 42 VAL H 1 1 13 9969 1 1 40 VAL HA H 5.017 -8.378 -3.803 1.00 . A A . 42 VAL HA 1 1 13 9970 1 1 40 VAL HB H 4.182 -8.791 -0.920 1.00 . A A . 42 VAL HB 1 1 13 9971 1 1 40 VAL HG11 H 5.683 -10.505 -2.757 1.00 . A A . 42 VAL HG11 1 1 13 9972 1 1 40 VAL HG12 H 5.059 -10.866 -1.148 1.00 . A A . 42 VAL HG12 1 1 13 9973 1 1 40 VAL HG13 H 6.620 -10.064 -1.330 1.00 . A A . 42 VAL HG13 1 1 13 9974 1 1 40 VAL HG21 H 5.887 -7.384 -0.398 1.00 . A A . 42 VAL HG21 1 1 13 9975 1 1 40 VAL HG22 H 5.782 -6.863 -2.080 1.00 . A A . 42 VAL HG22 1 1 13 9976 1 1 40 VAL HG23 H 6.954 -8.094 -1.609 1.00 . A A . 42 VAL HG23 1 1 13 9977 1 1 40 VAL N N 3.400 -7.317 -2.957 1.00 . A A . 42 VAL N 1 1 13 9978 1 1 40 VAL O O 3.859 -10.667 -4.056 1.00 . A A . 42 VAL O 1 1 13 9979 1 1 41 GLU C C 0.746 -10.722 -4.818 1.00 . A A . 43 GLU C 1 1 13 9980 1 1 41 GLU CA C 1.265 -10.871 -3.385 1.00 . A A . 43 GLU CA 1 1 13 9981 1 1 41 GLU CB C 0.084 -10.904 -2.413 1.00 . A A . 43 GLU CB 1 1 13 9982 1 1 41 GLU CD C -2.168 -9.925 -1.946 1.00 . A A . 43 GLU CD 1 1 13 9983 1 1 41 GLU CG C -0.847 -9.721 -2.690 1.00 . A A . 43 GLU CG 1 1 13 9984 1 1 41 GLU H H 1.803 -8.961 -2.541 1.00 . A A . 43 GLU H 1 1 13 9985 1 1 41 GLU HA H 1.822 -11.792 -3.303 1.00 . A A . 43 GLU HA 1 1 13 9986 1 1 41 GLU HB2 H -0.461 -11.828 -2.542 1.00 . A A . 43 GLU HB2 1 1 13 9987 1 1 41 GLU HB3 H 0.451 -10.840 -1.400 1.00 . A A . 43 GLU HB3 1 1 13 9988 1 1 41 GLU HG2 H -0.379 -8.808 -2.351 1.00 . A A . 43 GLU HG2 1 1 13 9989 1 1 41 GLU HG3 H -1.041 -9.654 -3.749 1.00 . A A . 43 GLU HG3 1 1 13 9990 1 1 41 GLU N N 2.154 -9.723 -3.050 1.00 . A A . 43 GLU N 1 1 13 9991 1 1 41 GLU O O 0.454 -11.693 -5.485 1.00 . A A . 43 GLU O 1 1 13 9992 1 1 41 GLU OE1 O -2.256 -9.496 -0.806 1.00 . A A . 43 GLU OE1 1 1 13 9993 1 1 41 GLU OE2 O -3.068 -10.507 -2.526 1.00 . A A . 43 GLU OE2 1 1 13 9994 1 1 42 SER C C 1.260 -9.571 -7.684 1.00 . A A . 44 SER C 1 1 13 9995 1 1 42 SER CA C 0.123 -9.317 -6.688 1.00 . A A . 44 SER CA 1 1 13 9996 1 1 42 SER CB C -0.395 -7.888 -6.852 1.00 . A A . 44 SER CB 1 1 13 9997 1 1 42 SER H H 0.865 -8.741 -4.745 1.00 . A A . 44 SER H 1 1 13 9998 1 1 42 SER HA H -0.680 -10.013 -6.877 1.00 . A A . 44 SER HA 1 1 13 9999 1 1 42 SER HB2 H 0.061 -7.436 -7.718 1.00 . A A . 44 SER HB2 1 1 13 10000 1 1 42 SER HB3 H -1.468 -7.909 -6.985 1.00 . A A . 44 SER HB3 1 1 13 10001 1 1 42 SER HG H 0.894 -7.076 -5.643 1.00 . A A . 44 SER HG 1 1 13 10002 1 1 42 SER N N 0.627 -9.514 -5.298 1.00 . A A . 44 SER N 1 1 13 10003 1 1 42 SER O O 1.037 -9.698 -8.872 1.00 . A A . 44 SER O 1 1 13 10004 1 1 42 SER OG O -0.062 -7.128 -5.698 1.00 . A A . 44 SER OG 1 1 13 10005 1 1 43 ASN C C 3.912 -8.636 -8.948 1.00 . A A . 45 ASN C 1 1 13 10006 1 1 43 ASN CA C 3.620 -9.898 -8.133 1.00 . A A . 45 ASN CA 1 1 13 10007 1 1 43 ASN CB C 3.269 -11.049 -9.080 1.00 . A A . 45 ASN CB 1 1 13 10008 1 1 43 ASN CG C 4.548 -11.603 -9.710 1.00 . A A . 45 ASN CG 1 1 13 10009 1 1 43 ASN H H 2.632 -9.545 -6.249 1.00 . A A . 45 ASN H 1 1 13 10010 1 1 43 ASN HA H 4.494 -10.163 -7.555 1.00 . A A . 45 ASN HA 1 1 13 10011 1 1 43 ASN HB2 H 2.772 -11.830 -8.526 1.00 . A A . 45 ASN HB2 1 1 13 10012 1 1 43 ASN HB3 H 2.615 -10.686 -9.858 1.00 . A A . 45 ASN HB3 1 1 13 10013 1 1 43 ASN HD21 H 4.563 -13.239 -8.584 1.00 . A A . 45 ASN HD21 1 1 13 10014 1 1 43 ASN HD22 H 5.843 -13.108 -9.692 1.00 . A A . 45 ASN HD22 1 1 13 10015 1 1 43 ASN N N 2.474 -9.649 -7.212 1.00 . A A . 45 ASN N 1 1 13 10016 1 1 43 ASN ND2 N 5.024 -12.745 -9.294 1.00 . A A . 45 ASN ND2 1 1 13 10017 1 1 43 ASN O O 4.483 -8.696 -10.019 1.00 . A A . 45 ASN O 1 1 13 10018 1 1 43 ASN OD1 O 5.118 -10.993 -10.593 1.00 . A A . 45 ASN OD1 1 1 13 10019 1 1 44 GLY C C 2.546 -5.832 -9.995 1.00 . A A . 46 GLY C 1 1 13 10020 1 1 44 GLY CA C 3.792 -6.231 -9.199 1.00 . A A . 46 GLY CA 1 1 13 10021 1 1 44 GLY H H 3.074 -7.463 -7.583 1.00 . A A . 46 GLY H 1 1 13 10022 1 1 44 GLY HA2 H 4.040 -5.444 -8.500 1.00 . A A . 46 GLY HA2 1 1 13 10023 1 1 44 GLY HA3 H 4.617 -6.382 -9.881 1.00 . A A . 46 GLY HA3 1 1 13 10024 1 1 44 GLY N N 3.530 -7.492 -8.450 1.00 . A A . 46 GLY N 1 1 13 10025 1 1 44 GLY O O 2.508 -4.797 -10.629 1.00 . A A . 46 GLY O 1 1 13 10026 1 1 45 THR C C -0.581 -5.361 -9.886 1.00 . A A . 47 THR C 1 1 13 10027 1 1 45 THR CA C 0.284 -6.311 -10.720 1.00 . A A . 47 THR CA 1 1 13 10028 1 1 45 THR CB C -0.501 -7.595 -11.007 1.00 . A A . 47 THR CB 1 1 13 10029 1 1 45 THR CG2 C 0.366 -8.555 -11.824 1.00 . A A . 47 THR CG2 1 1 13 10030 1 1 45 THR H H 1.575 -7.475 -9.447 1.00 . A A . 47 THR H 1 1 13 10031 1 1 45 THR HA H 0.547 -5.833 -11.652 1.00 . A A . 47 THR HA 1 1 13 10032 1 1 45 THR HB H -1.392 -7.355 -11.568 1.00 . A A . 47 THR HB 1 1 13 10033 1 1 45 THR HG1 H -1.088 -9.125 -9.962 1.00 . A A . 47 THR HG1 1 1 13 10034 1 1 45 THR HG21 H -0.197 -9.453 -12.038 1.00 . A A . 47 THR HG21 1 1 13 10035 1 1 45 THR HG22 H 1.251 -8.810 -11.261 1.00 . A A . 47 THR HG22 1 1 13 10036 1 1 45 THR HG23 H 0.652 -8.081 -12.750 1.00 . A A . 47 THR HG23 1 1 13 10037 1 1 45 THR N N 1.526 -6.645 -9.967 1.00 . A A . 47 THR N 1 1 13 10038 1 1 45 THR O O -1.632 -4.925 -10.312 1.00 . A A . 47 THR O 1 1 13 10039 1 1 45 THR OG1 O -0.862 -8.210 -9.780 1.00 . A A . 47 THR OG1 1 1 13 10040 1 1 46 LEU C C -0.232 -2.776 -7.721 1.00 . A A . 48 LEU C 1 1 13 10041 1 1 46 LEU CA C -0.943 -4.122 -7.833 1.00 . A A . 48 LEU CA 1 1 13 10042 1 1 46 LEU CB C -1.092 -4.742 -6.442 1.00 . A A . 48 LEU CB 1 1 13 10043 1 1 46 LEU CD1 C -3.416 -3.934 -6.020 1.00 . A A . 48 LEU CD1 1 1 13 10044 1 1 46 LEU CD2 C -1.848 -4.288 -4.109 1.00 . A A . 48 LEU CD2 1 1 13 10045 1 1 46 LEU CG C -1.958 -3.838 -5.566 1.00 . A A . 48 LEU CG 1 1 13 10046 1 1 46 LEU H H 0.702 -5.403 -8.369 1.00 . A A . 48 LEU H 1 1 13 10047 1 1 46 LEU HA H -1.922 -3.972 -8.267 1.00 . A A . 48 LEU HA 1 1 13 10048 1 1 46 LEU HB2 H -1.560 -5.712 -6.530 1.00 . A A . 48 LEU HB2 1 1 13 10049 1 1 46 LEU HB3 H -0.119 -4.852 -5.989 1.00 . A A . 48 LEU HB3 1 1 13 10050 1 1 46 LEU HD11 H -3.624 -4.940 -6.351 1.00 . A A . 48 LEU HD11 1 1 13 10051 1 1 46 LEU HD12 H -3.585 -3.245 -6.835 1.00 . A A . 48 LEU HD12 1 1 13 10052 1 1 46 LEU HD13 H -4.067 -3.683 -5.197 1.00 . A A . 48 LEU HD13 1 1 13 10053 1 1 46 LEU HD21 H -1.508 -3.463 -3.500 1.00 . A A . 48 LEU HD21 1 1 13 10054 1 1 46 LEU HD22 H -1.143 -5.103 -4.036 1.00 . A A . 48 LEU HD22 1 1 13 10055 1 1 46 LEU HD23 H -2.815 -4.617 -3.759 1.00 . A A . 48 LEU HD23 1 1 13 10056 1 1 46 LEU HG H -1.619 -2.815 -5.659 1.00 . A A . 48 LEU HG 1 1 13 10057 1 1 46 LEU N N -0.148 -5.039 -8.696 1.00 . A A . 48 LEU N 1 1 13 10058 1 1 46 LEU O O 0.945 -2.702 -7.428 1.00 . A A . 48 LEU O 1 1 13 10059 1 1 47 THR C C -1.197 0.546 -7.004 1.00 . A A . 49 THR C 1 1 13 10060 1 1 47 THR CA C -0.317 -0.360 -7.860 1.00 . A A . 49 THR CA 1 1 13 10061 1 1 47 THR CB C -0.161 0.240 -9.264 1.00 . A A . 49 THR CB 1 1 13 10062 1 1 47 THR CG2 C 0.014 -0.883 -10.290 1.00 . A A . 49 THR CG2 1 1 13 10063 1 1 47 THR H H -1.889 -1.792 -8.188 1.00 . A A . 49 THR H 1 1 13 10064 1 1 47 THR HA H 0.654 -0.441 -7.400 1.00 . A A . 49 THR HA 1 1 13 10065 1 1 47 THR HB H 0.708 0.877 -9.287 1.00 . A A . 49 THR HB 1 1 13 10066 1 1 47 THR HG1 H -1.265 1.230 -10.519 1.00 . A A . 49 THR HG1 1 1 13 10067 1 1 47 THR HG21 H 0.007 -0.466 -11.285 1.00 . A A . 49 THR HG21 1 1 13 10068 1 1 47 THR HG22 H -0.796 -1.592 -10.189 1.00 . A A . 49 THR HG22 1 1 13 10069 1 1 47 THR HG23 H 0.954 -1.386 -10.117 1.00 . A A . 49 THR HG23 1 1 13 10070 1 1 47 THR N N -0.941 -1.706 -7.954 1.00 . A A . 49 THR N 1 1 13 10071 1 1 47 THR O O -1.890 0.097 -6.112 1.00 . A A . 49 THR O 1 1 13 10072 1 1 47 THR OG1 O -1.313 1.002 -9.587 1.00 . A A . 49 THR OG1 1 1 13 10073 1 1 48 LEU C C -2.932 3.529 -7.397 1.00 . A A . 50 LEU C 1 1 13 10074 1 1 48 LEU CA C -1.985 2.772 -6.466 1.00 . A A . 50 LEU CA 1 1 13 10075 1 1 48 LEU CB C -1.062 3.767 -5.756 1.00 . A A . 50 LEU CB 1 1 13 10076 1 1 48 LEU CD1 C -2.243 3.690 -3.554 1.00 . A A . 50 LEU CD1 1 1 13 10077 1 1 48 LEU CD2 C -1.016 5.751 -4.239 1.00 . A A . 50 LEU CD2 1 1 13 10078 1 1 48 LEU CG C -1.864 4.580 -4.739 1.00 . A A . 50 LEU CG 1 1 13 10079 1 1 48 LEU H H -0.591 2.146 -7.979 1.00 . A A . 50 LEU H 1 1 13 10080 1 1 48 LEU HA H -2.559 2.229 -5.733 1.00 . A A . 50 LEU HA 1 1 13 10081 1 1 48 LEU HB2 H -0.277 3.227 -5.247 1.00 . A A . 50 LEU HB2 1 1 13 10082 1 1 48 LEU HB3 H -0.625 4.434 -6.483 1.00 . A A . 50 LEU HB3 1 1 13 10083 1 1 48 LEU HD11 H -1.423 3.658 -2.852 1.00 . A A . 50 LEU HD11 1 1 13 10084 1 1 48 LEU HD12 H -2.453 2.692 -3.907 1.00 . A A . 50 LEU HD12 1 1 13 10085 1 1 48 LEU HD13 H -3.119 4.093 -3.066 1.00 . A A . 50 LEU HD13 1 1 13 10086 1 1 48 LEU HD21 H -0.219 5.944 -4.943 1.00 . A A . 50 LEU HD21 1 1 13 10087 1 1 48 LEU HD22 H -0.596 5.507 -3.276 1.00 . A A . 50 LEU HD22 1 1 13 10088 1 1 48 LEU HD23 H -1.636 6.632 -4.149 1.00 . A A . 50 LEU HD23 1 1 13 10089 1 1 48 LEU HG H -2.761 4.958 -5.206 1.00 . A A . 50 LEU HG 1 1 13 10090 1 1 48 LEU N N -1.164 1.818 -7.262 1.00 . A A . 50 LEU N 1 1 13 10091 1 1 48 LEU O O -2.704 3.633 -8.586 1.00 . A A . 50 LEU O 1 1 13 10092 1 1 49 SER C C -5.087 6.240 -7.158 1.00 . A A . 51 SER C 1 1 13 10093 1 1 49 SER CA C -4.958 4.819 -7.704 1.00 . A A . 51 SER CA 1 1 13 10094 1 1 49 SER CB C -6.323 4.127 -7.666 1.00 . A A . 51 SER CB 1 1 13 10095 1 1 49 SER H H -4.151 3.968 -5.901 1.00 . A A . 51 SER H 1 1 13 10096 1 1 49 SER HA H -4.599 4.854 -8.720 1.00 . A A . 51 SER HA 1 1 13 10097 1 1 49 SER HB2 H -6.223 3.152 -7.223 1.00 . A A . 51 SER HB2 1 1 13 10098 1 1 49 SER HB3 H -7.010 4.721 -7.075 1.00 . A A . 51 SER HB3 1 1 13 10099 1 1 49 SER HG H -7.323 3.178 -9.040 1.00 . A A . 51 SER HG 1 1 13 10100 1 1 49 SER N N -3.993 4.063 -6.861 1.00 . A A . 51 SER N 1 1 13 10101 1 1 49 SER O O -5.292 7.184 -7.896 1.00 . A A . 51 SER O 1 1 13 10102 1 1 49 SER OG O -6.815 3.993 -8.994 1.00 . A A . 51 SER OG 1 1 13 10103 1 1 50 HIS C C -4.805 7.671 -3.770 1.00 . A A . 52 HIS C 1 1 13 10104 1 1 50 HIS CA C -5.067 7.762 -5.281 1.00 . A A . 52 HIS CA 1 1 13 10105 1 1 50 HIS CB C -6.465 8.347 -5.598 1.00 . A A . 52 HIS CB 1 1 13 10106 1 1 50 HIS CD2 C -7.097 9.549 -3.343 1.00 . A A . 52 HIS CD2 1 1 13 10107 1 1 50 HIS CE1 C -8.834 8.359 -2.826 1.00 . A A . 52 HIS CE1 1 1 13 10108 1 1 50 HIS CG C -7.255 8.620 -4.341 1.00 . A A . 52 HIS CG 1 1 13 10109 1 1 50 HIS H H -4.790 5.627 -5.291 1.00 . A A . 52 HIS H 1 1 13 10110 1 1 50 HIS HA H -4.310 8.394 -5.725 1.00 . A A . 52 HIS HA 1 1 13 10111 1 1 50 HIS HB2 H -6.346 9.272 -6.141 1.00 . A A . 52 HIS HB2 1 1 13 10112 1 1 50 HIS HB3 H -7.009 7.646 -6.214 1.00 . A A . 52 HIS HB3 1 1 13 10113 1 1 50 HIS HD1 H -8.745 7.121 -4.497 1.00 . A A . 52 HIS HD1 1 1 13 10114 1 1 50 HIS HD2 H -6.318 10.293 -3.305 1.00 . A A . 52 HIS HD2 1 1 13 10115 1 1 50 HIS HE1 H -9.698 7.970 -2.310 1.00 . A A . 52 HIS HE1 1 1 13 10116 1 1 50 HIS N N -4.960 6.402 -5.871 1.00 . A A . 52 HIS N 1 1 13 10117 1 1 50 HIS ND1 N -8.368 7.871 -3.991 1.00 . A A . 52 HIS ND1 1 1 13 10118 1 1 50 HIS NE2 N -8.097 9.384 -2.387 1.00 . A A . 52 HIS NE2 1 1 13 10119 1 1 50 HIS O O -5.632 7.216 -3.005 1.00 . A A . 52 HIS O 1 1 13 10120 1 1 51 PHE C C -4.526 8.494 -1.078 1.00 . A A . 53 PHE C 1 1 13 10121 1 1 51 PHE CA C -3.317 8.030 -1.895 1.00 . A A . 53 PHE CA 1 1 13 10122 1 1 51 PHE CB C -2.130 8.951 -1.614 1.00 . A A . 53 PHE CB 1 1 13 10123 1 1 51 PHE CD1 C -0.062 7.546 -1.932 1.00 . A A . 53 PHE CD1 1 1 13 10124 1 1 51 PHE CD2 C -0.707 9.087 -3.690 1.00 . A A . 53 PHE CD2 1 1 13 10125 1 1 51 PHE CE1 C 1.045 7.145 -2.690 1.00 . A A . 53 PHE CE1 1 1 13 10126 1 1 51 PHE CE2 C 0.401 8.688 -4.446 1.00 . A A . 53 PHE CE2 1 1 13 10127 1 1 51 PHE CG C -0.939 8.515 -2.433 1.00 . A A . 53 PHE CG 1 1 13 10128 1 1 51 PHE CZ C 1.277 7.716 -3.945 1.00 . A A . 53 PHE CZ 1 1 13 10129 1 1 51 PHE H H -2.991 8.441 -3.975 1.00 . A A . 53 PHE H 1 1 13 10130 1 1 51 PHE HA H -3.061 7.017 -1.622 1.00 . A A . 53 PHE HA 1 1 13 10131 1 1 51 PHE HB2 H -2.394 9.965 -1.873 1.00 . A A . 53 PHE HB2 1 1 13 10132 1 1 51 PHE HB3 H -1.881 8.902 -0.569 1.00 . A A . 53 PHE HB3 1 1 13 10133 1 1 51 PHE HD1 H -0.240 7.105 -0.964 1.00 . A A . 53 PHE HD1 1 1 13 10134 1 1 51 PHE HD2 H -1.383 9.836 -4.075 1.00 . A A . 53 PHE HD2 1 1 13 10135 1 1 51 PHE HE1 H 1.721 6.395 -2.304 1.00 . A A . 53 PHE HE1 1 1 13 10136 1 1 51 PHE HE2 H 0.580 9.129 -5.416 1.00 . A A . 53 PHE HE2 1 1 13 10137 1 1 51 PHE HZ H 2.132 7.407 -4.530 1.00 . A A . 53 PHE HZ 1 1 13 10138 1 1 51 PHE N N -3.647 8.090 -3.341 1.00 . A A . 53 PHE N 1 1 13 10139 1 1 51 PHE O O -4.739 9.674 -0.885 1.00 . A A . 53 PHE O 1 1 13 10140 1 1 52 GLY C C -7.568 6.858 0.097 1.00 . A A . 54 GLY C 1 1 13 10141 1 1 52 GLY CA C -6.516 7.963 0.196 1.00 . A A . 54 GLY CA 1 1 13 10142 1 1 52 GLY H H -5.131 6.629 -0.775 1.00 . A A . 54 GLY H 1 1 13 10143 1 1 52 GLY HA2 H -6.230 8.101 1.229 1.00 . A A . 54 GLY HA2 1 1 13 10144 1 1 52 GLY HA3 H -6.926 8.883 -0.192 1.00 . A A . 54 GLY HA3 1 1 13 10145 1 1 52 GLY N N -5.320 7.575 -0.603 1.00 . A A . 54 GLY N 1 1 13 10146 1 1 52 GLY O O -7.475 5.974 -0.730 1.00 . A A . 54 GLY O 1 1 13 10147 1 1 53 LYS C C -10.641 6.213 -0.203 1.00 . A A . 55 LYS C 1 1 13 10148 1 1 53 LYS CA C -9.622 5.847 0.878 1.00 . A A . 55 LYS CA 1 1 13 10149 1 1 53 LYS CB C -10.316 5.759 2.238 1.00 . A A . 55 LYS CB 1 1 13 10150 1 1 53 LYS CD C -12.582 5.203 3.124 1.00 . A A . 55 LYS CD 1 1 13 10151 1 1 53 LYS CE C -12.021 5.256 4.545 1.00 . A A . 55 LYS CE 1 1 13 10152 1 1 53 LYS CG C -11.480 4.770 2.157 1.00 . A A . 55 LYS CG 1 1 13 10153 1 1 53 LYS H H -8.628 7.618 1.595 1.00 . A A . 55 LYS H 1 1 13 10154 1 1 53 LYS HA H -9.170 4.893 0.639 1.00 . A A . 55 LYS HA 1 1 13 10155 1 1 53 LYS HB2 H -9.609 5.424 2.983 1.00 . A A . 55 LYS HB2 1 1 13 10156 1 1 53 LYS HB3 H -10.694 6.733 2.513 1.00 . A A . 55 LYS HB3 1 1 13 10157 1 1 53 LYS HD2 H -12.947 6.180 2.841 1.00 . A A . 55 LYS HD2 1 1 13 10158 1 1 53 LYS HD3 H -13.394 4.491 3.085 1.00 . A A . 55 LYS HD3 1 1 13 10159 1 1 53 LYS HE2 H -12.475 4.478 5.140 1.00 . A A . 55 LYS HE2 1 1 13 10160 1 1 53 LYS HE3 H -10.952 5.108 4.515 1.00 . A A . 55 LYS HE3 1 1 13 10161 1 1 53 LYS HG2 H -11.868 4.753 1.149 1.00 . A A . 55 LYS HG2 1 1 13 10162 1 1 53 LYS HG3 H -11.134 3.785 2.427 1.00 . A A . 55 LYS HG3 1 1 13 10163 1 1 53 LYS HZ1 H -13.243 6.547 5.629 1.00 . A A . 55 LYS HZ1 1 1 13 10164 1 1 53 LYS HZ2 H -12.348 7.308 4.401 1.00 . A A . 55 LYS HZ2 1 1 13 10165 1 1 53 LYS HZ3 H -11.584 6.827 5.841 1.00 . A A . 55 LYS HZ3 1 1 13 10166 1 1 53 LYS N N -8.568 6.898 0.931 1.00 . A A . 55 LYS N 1 1 13 10167 1 1 53 LYS NZ N -12.321 6.585 5.149 1.00 . A A . 55 LYS NZ 1 1 13 10168 1 1 53 LYS O O -11.129 7.325 -0.256 1.00 . A A . 55 LYS O 1 1 13 10169 1 1 54 CYS C C -13.368 5.535 -1.588 1.00 . A A . 56 CYS C 1 1 13 10170 1 1 54 CYS CA C -11.945 5.597 -2.150 1.00 . A A . 56 CYS CA 1 1 13 10171 1 1 54 CYS CB C -11.801 4.576 -3.280 1.00 . A A . 56 CYS CB 1 1 13 10172 1 1 54 CYS H H -10.556 4.400 -1.014 1.00 . A A . 56 CYS H 1 1 13 10173 1 1 54 CYS HA H -11.754 6.587 -2.537 1.00 . A A . 56 CYS HA 1 1 13 10174 1 1 54 CYS HB2 H -11.600 3.601 -2.859 1.00 . A A . 56 CYS HB2 1 1 13 10175 1 1 54 CYS HB3 H -12.717 4.540 -3.850 1.00 . A A . 56 CYS HB3 1 1 13 10176 1 1 54 CYS N N -10.963 5.291 -1.070 1.00 . A A . 56 CYS N 1 1 13 10177 1 1 54 CYS O O -13.652 4.605 -0.853 1.00 . A A . 56 CYS O 1 1 13 10178 1 1 54 CYS OXT O -14.148 6.418 -1.904 1.00 . A A . 56 CYS OXT 1 1 13 10179 1 1 54 CYS SG S -10.435 5.062 -4.363 1.00 . A A . 56 CYS SG 1 1 14 10180 1 1 1 ALA C C 3.278 9.334 -8.510 1.00 . A A . 3 ALA C 1 1 14 10181 1 1 1 ALA CA C 3.785 10.282 -9.601 1.00 . A A . 3 ALA CA 1 1 14 10182 1 1 1 ALA CB C 2.878 10.179 -10.830 1.00 . A A . 3 ALA CB 1 1 14 10183 1 1 1 ALA H1 H 5.495 9.119 -9.380 1.00 . A A . 3 ALA H1 1 1 14 10184 1 1 1 ALA H2 H 5.804 10.725 -9.840 1.00 . A A . 3 ALA H2 1 1 14 10185 1 1 1 ALA H3 H 5.199 9.615 -10.974 1.00 . A A . 3 ALA H3 1 1 14 10186 1 1 1 ALA HA H 3.773 11.297 -9.229 1.00 . A A . 3 ALA HA 1 1 14 10187 1 1 1 ALA HB1 H 3.222 9.376 -11.465 1.00 . A A . 3 ALA HB1 1 1 14 10188 1 1 1 ALA HB2 H 2.907 11.108 -11.378 1.00 . A A . 3 ALA HB2 1 1 14 10189 1 1 1 ALA HB3 H 1.864 9.979 -10.514 1.00 . A A . 3 ALA HB3 1 1 14 10190 1 1 1 ALA N N 5.176 9.907 -9.976 1.00 . A A . 3 ALA N 1 1 14 10191 1 1 1 ALA O O 2.686 9.751 -7.535 1.00 . A A . 3 ALA O 1 1 14 10192 1 1 2 VAL C C 4.216 6.196 -7.217 1.00 . A A . 4 VAL C 1 1 14 10193 1 1 2 VAL CA C 3.043 7.085 -7.638 1.00 . A A . 4 VAL CA 1 1 14 10194 1 1 2 VAL CB C 1.913 6.206 -8.203 1.00 . A A . 4 VAL CB 1 1 14 10195 1 1 2 VAL CG1 C 0.661 6.372 -7.340 1.00 . A A . 4 VAL CG1 1 1 14 10196 1 1 2 VAL CG2 C 1.583 6.614 -9.646 1.00 . A A . 4 VAL CG2 1 1 14 10197 1 1 2 VAL H H 3.992 7.743 -9.460 1.00 . A A . 4 VAL H 1 1 14 10198 1 1 2 VAL HA H 2.679 7.625 -6.776 1.00 . A A . 4 VAL HA 1 1 14 10199 1 1 2 VAL HB H 2.223 5.171 -8.183 1.00 . A A . 4 VAL HB 1 1 14 10200 1 1 2 VAL HG11 H 0.375 7.413 -7.315 1.00 . A A . 4 VAL HG11 1 1 14 10201 1 1 2 VAL HG12 H 0.868 6.032 -6.335 1.00 . A A . 4 VAL HG12 1 1 14 10202 1 1 2 VAL HG13 H -0.145 5.787 -7.758 1.00 . A A . 4 VAL HG13 1 1 14 10203 1 1 2 VAL HG21 H 2.354 6.250 -10.309 1.00 . A A . 4 VAL HG21 1 1 14 10204 1 1 2 VAL HG22 H 1.534 7.691 -9.713 1.00 . A A . 4 VAL HG22 1 1 14 10205 1 1 2 VAL HG23 H 0.632 6.192 -9.932 1.00 . A A . 4 VAL HG23 1 1 14 10206 1 1 2 VAL N N 3.511 8.059 -8.667 1.00 . A A . 4 VAL N 1 1 14 10207 1 1 2 VAL O O 5.348 6.425 -7.595 1.00 . A A . 4 VAL O 1 1 14 10208 1 1 3 SER C C 5.972 5.037 -5.019 1.00 . A A . 5 SER C 1 1 14 10209 1 1 3 SER CA C 5.056 4.284 -5.987 1.00 . A A . 5 SER CA 1 1 14 10210 1 1 3 SER CB C 5.858 3.816 -7.207 1.00 . A A . 5 SER CB 1 1 14 10211 1 1 3 SER H H 3.037 5.019 -6.138 1.00 . A A . 5 SER H 1 1 14 10212 1 1 3 SER HA H 4.633 3.426 -5.486 1.00 . A A . 5 SER HA 1 1 14 10213 1 1 3 SER HB2 H 5.886 2.739 -7.228 1.00 . A A . 5 SER HB2 1 1 14 10214 1 1 3 SER HB3 H 5.380 4.176 -8.108 1.00 . A A . 5 SER HB3 1 1 14 10215 1 1 3 SER HG H 7.561 4.308 -8.015 1.00 . A A . 5 SER HG 1 1 14 10216 1 1 3 SER N N 3.956 5.185 -6.433 1.00 . A A . 5 SER N 1 1 14 10217 1 1 3 SER O O 6.530 6.065 -5.348 1.00 . A A . 5 SER O 1 1 14 10218 1 1 3 SER OG O 7.188 4.316 -7.130 1.00 . A A . 5 SER OG 1 1 14 10219 1 1 4 VAL C C 7.549 4.189 -1.842 1.00 . A A . 6 VAL C 1 1 14 10220 1 1 4 VAL CA C 7.013 5.217 -2.837 1.00 . A A . 6 VAL CA 1 1 14 10221 1 1 4 VAL CB C 6.223 6.287 -2.074 1.00 . A A . 6 VAL CB 1 1 14 10222 1 1 4 VAL CG1 C 7.118 7.505 -1.837 1.00 . A A . 6 VAL CG1 1 1 14 10223 1 1 4 VAL CG2 C 4.996 6.712 -2.889 1.00 . A A . 6 VAL CG2 1 1 14 10224 1 1 4 VAL H H 5.674 3.702 -3.580 1.00 . A A . 6 VAL H 1 1 14 10225 1 1 4 VAL HA H 7.843 5.681 -3.346 1.00 . A A . 6 VAL HA 1 1 14 10226 1 1 4 VAL HB H 5.904 5.886 -1.121 1.00 . A A . 6 VAL HB 1 1 14 10227 1 1 4 VAL HG11 H 8.152 7.197 -1.833 1.00 . A A . 6 VAL HG11 1 1 14 10228 1 1 4 VAL HG12 H 6.871 7.954 -0.887 1.00 . A A . 6 VAL HG12 1 1 14 10229 1 1 4 VAL HG13 H 6.960 8.226 -2.627 1.00 . A A . 6 VAL HG13 1 1 14 10230 1 1 4 VAL HG21 H 4.468 7.493 -2.361 1.00 . A A . 6 VAL HG21 1 1 14 10231 1 1 4 VAL HG22 H 4.344 5.863 -3.026 1.00 . A A . 6 VAL HG22 1 1 14 10232 1 1 4 VAL HG23 H 5.315 7.081 -3.852 1.00 . A A . 6 VAL HG23 1 1 14 10233 1 1 4 VAL N N 6.131 4.532 -3.827 1.00 . A A . 6 VAL N 1 1 14 10234 1 1 4 VAL O O 7.235 3.018 -1.919 1.00 . A A . 6 VAL O 1 1 14 10235 1 1 5 ASP C C 9.165 2.352 -0.467 1.00 . A A . 7 ASP C 1 1 14 10236 1 1 5 ASP CA C 8.890 3.732 0.135 1.00 . A A . 7 ASP CA 1 1 14 10237 1 1 5 ASP CB C 7.874 3.672 1.265 1.00 . A A . 7 ASP CB 1 1 14 10238 1 1 5 ASP CG C 8.509 3.081 2.527 1.00 . A A . 7 ASP CG 1 1 14 10239 1 1 5 ASP H H 8.529 5.579 -0.853 1.00 . A A . 7 ASP H 1 1 14 10240 1 1 5 ASP HA H 9.809 4.126 0.515 1.00 . A A . 7 ASP HA 1 1 14 10241 1 1 5 ASP HB2 H 7.527 4.674 1.477 1.00 . A A . 7 ASP HB2 1 1 14 10242 1 1 5 ASP HB3 H 7.048 3.076 0.947 1.00 . A A . 7 ASP HB3 1 1 14 10243 1 1 5 ASP N N 8.332 4.637 -0.898 1.00 . A A . 7 ASP N 1 1 14 10244 1 1 5 ASP O O 9.750 2.237 -1.527 1.00 . A A . 7 ASP O 1 1 14 10245 1 1 5 ASP OD1 O 9.726 3.054 2.598 1.00 . A A . 7 ASP OD1 1 1 14 10246 1 1 5 ASP OD2 O 7.764 2.669 3.402 1.00 . A A . 7 ASP OD2 1 1 14 10247 1 1 6 CYS C C 10.532 -0.329 -0.268 1.00 . A A . 8 CYS C 1 1 14 10248 1 1 6 CYS CA C 9.030 -0.055 -0.344 1.00 . A A . 8 CYS CA 1 1 14 10249 1 1 6 CYS CB C 8.565 -0.129 -1.800 1.00 . A A . 8 CYS CB 1 1 14 10250 1 1 6 CYS H H 8.319 1.424 1.043 1.00 . A A . 8 CYS H 1 1 14 10251 1 1 6 CYS HA H 8.496 -0.786 0.247 1.00 . A A . 8 CYS HA 1 1 14 10252 1 1 6 CYS HB2 H 8.303 0.859 -2.146 1.00 . A A . 8 CYS HB2 1 1 14 10253 1 1 6 CYS HB3 H 9.360 -0.527 -2.413 1.00 . A A . 8 CYS HB3 1 1 14 10254 1 1 6 CYS N N 8.771 1.310 0.193 1.00 . A A . 8 CYS N 1 1 14 10255 1 1 6 CYS O O 11.098 -1.010 -1.100 1.00 . A A . 8 CYS O 1 1 14 10256 1 1 6 CYS SG S 7.118 -1.208 -1.916 1.00 . A A . 8 CYS SG 1 1 14 10257 1 1 7 SER C C 12.995 -1.466 0.948 1.00 . A A . 9 SER C 1 1 14 10258 1 1 7 SER CA C 12.651 0.025 0.869 1.00 . A A . 9 SER CA 1 1 14 10259 1 1 7 SER CB C 13.122 0.718 2.148 1.00 . A A . 9 SER CB 1 1 14 10260 1 1 7 SER H H 10.696 0.775 1.369 1.00 . A A . 9 SER H 1 1 14 10261 1 1 7 SER HA H 13.156 0.464 0.020 1.00 . A A . 9 SER HA 1 1 14 10262 1 1 7 SER HB2 H 12.522 0.389 2.980 1.00 . A A . 9 SER HB2 1 1 14 10263 1 1 7 SER HB3 H 14.158 0.467 2.330 1.00 . A A . 9 SER HB3 1 1 14 10264 1 1 7 SER HG H 13.829 2.480 1.724 1.00 . A A . 9 SER HG 1 1 14 10265 1 1 7 SER N N 11.180 0.220 0.722 1.00 . A A . 9 SER N 1 1 14 10266 1 1 7 SER O O 13.832 -1.955 0.215 1.00 . A A . 9 SER O 1 1 14 10267 1 1 7 SER OG O 12.980 2.126 1.998 1.00 . A A . 9 SER OG 1 1 14 10268 1 1 8 GLU C C 11.429 -4.455 2.223 1.00 . A A . 10 GLU C 1 1 14 10269 1 1 8 GLU CA C 12.703 -3.642 1.966 1.00 . A A . 10 GLU CA 1 1 14 10270 1 1 8 GLU CB C 13.672 -3.843 3.135 1.00 . A A . 10 GLU CB 1 1 14 10271 1 1 8 GLU CD C 14.012 -2.943 5.446 1.00 . A A . 10 GLU CD 1 1 14 10272 1 1 8 GLU CG C 12.976 -3.462 4.446 1.00 . A A . 10 GLU CG 1 1 14 10273 1 1 8 GLU H H 11.716 -1.782 2.438 1.00 . A A . 10 GLU H 1 1 14 10274 1 1 8 GLU HA H 13.168 -3.985 1.054 1.00 . A A . 10 GLU HA 1 1 14 10275 1 1 8 GLU HB2 H 13.977 -4.876 3.176 1.00 . A A . 10 GLU HB2 1 1 14 10276 1 1 8 GLU HB3 H 14.539 -3.215 2.996 1.00 . A A . 10 GLU HB3 1 1 14 10277 1 1 8 GLU HG2 H 12.244 -2.691 4.255 1.00 . A A . 10 GLU HG2 1 1 14 10278 1 1 8 GLU HG3 H 12.486 -4.330 4.857 1.00 . A A . 10 GLU HG3 1 1 14 10279 1 1 8 GLU N N 12.378 -2.192 1.842 1.00 . A A . 10 GLU N 1 1 14 10280 1 1 8 GLU O O 11.211 -4.952 3.310 1.00 . A A . 10 GLU O 1 1 14 10281 1 1 8 GLU OE1 O 15.022 -2.419 5.006 1.00 . A A . 10 GLU OE1 1 1 14 10282 1 1 8 GLU OE2 O 13.775 -3.077 6.635 1.00 . A A . 10 GLU OE2 1 1 14 10283 1 1 9 TYR C C 9.545 -6.798 0.813 1.00 . A A . 11 TYR C 1 1 14 10284 1 1 9 TYR CA C 9.350 -5.411 1.437 1.00 . A A . 11 TYR CA 1 1 14 10285 1 1 9 TYR CB C 8.161 -4.696 0.789 1.00 . A A . 11 TYR CB 1 1 14 10286 1 1 9 TYR CD1 C 8.139 -2.481 1.993 1.00 . A A . 11 TYR CD1 1 1 14 10287 1 1 9 TYR CD2 C 6.414 -4.102 2.519 1.00 . A A . 11 TYR CD2 1 1 14 10288 1 1 9 TYR CE1 C 7.586 -1.590 2.919 1.00 . A A . 11 TYR CE1 1 1 14 10289 1 1 9 TYR CE2 C 5.861 -3.209 3.448 1.00 . A A . 11 TYR CE2 1 1 14 10290 1 1 9 TYR CG C 7.555 -3.737 1.789 1.00 . A A . 11 TYR CG 1 1 14 10291 1 1 9 TYR CZ C 6.447 -1.955 3.647 1.00 . A A . 11 TYR CZ 1 1 14 10292 1 1 9 TYR H H 10.785 -4.216 0.359 1.00 . A A . 11 TYR H 1 1 14 10293 1 1 9 TYR HA H 9.169 -5.518 2.496 1.00 . A A . 11 TYR HA 1 1 14 10294 1 1 9 TYR HB2 H 8.500 -4.148 -0.078 1.00 . A A . 11 TYR HB2 1 1 14 10295 1 1 9 TYR HB3 H 7.419 -5.421 0.491 1.00 . A A . 11 TYR HB3 1 1 14 10296 1 1 9 TYR HD1 H 9.017 -2.196 1.430 1.00 . A A . 11 TYR HD1 1 1 14 10297 1 1 9 TYR HD2 H 5.961 -5.071 2.363 1.00 . A A . 11 TYR HD2 1 1 14 10298 1 1 9 TYR HE1 H 8.037 -0.621 3.074 1.00 . A A . 11 TYR HE1 1 1 14 10299 1 1 9 TYR HE2 H 4.981 -3.489 4.009 1.00 . A A . 11 TYR HE2 1 1 14 10300 1 1 9 TYR HH H 6.580 -0.441 4.803 1.00 . A A . 11 TYR HH 1 1 14 10301 1 1 9 TYR N N 10.593 -4.612 1.235 1.00 . A A . 11 TYR N 1 1 14 10302 1 1 9 TYR O O 10.351 -6.961 -0.081 1.00 . A A . 11 TYR O 1 1 14 10303 1 1 9 TYR OH O 5.902 -1.078 4.563 1.00 . A A . 11 TYR OH 1 1 14 10304 1 1 10 PRO C C 8.551 -7.366 3.753 1.00 . A A . 12 PRO C 1 1 14 10305 1 1 10 PRO CA C 7.845 -7.560 2.407 1.00 . A A . 12 PRO CA 1 1 14 10306 1 1 10 PRO CB C 7.017 -8.850 2.390 1.00 . A A . 12 PRO CB 1 1 14 10307 1 1 10 PRO CD C 8.933 -9.163 0.861 1.00 . A A . 12 PRO CD 1 1 14 10308 1 1 10 PRO CG C 7.897 -9.923 1.708 1.00 . A A . 12 PRO CG 1 1 14 10309 1 1 10 PRO HA H 7.209 -6.716 2.189 1.00 . A A . 12 PRO HA 1 1 14 10310 1 1 10 PRO HB2 H 6.774 -9.148 3.400 1.00 . A A . 12 PRO HB2 1 1 14 10311 1 1 10 PRO HB3 H 6.116 -8.705 1.817 1.00 . A A . 12 PRO HB3 1 1 14 10312 1 1 10 PRO HD2 H 9.928 -9.547 1.049 1.00 . A A . 12 PRO HD2 1 1 14 10313 1 1 10 PRO HD3 H 8.690 -9.231 -0.186 1.00 . A A . 12 PRO HD3 1 1 14 10314 1 1 10 PRO HG2 H 8.393 -10.524 2.458 1.00 . A A . 12 PRO HG2 1 1 14 10315 1 1 10 PRO HG3 H 7.293 -10.549 1.070 1.00 . A A . 12 PRO HG3 1 1 14 10316 1 1 10 PRO N N 8.822 -7.765 1.322 1.00 . A A . 12 PRO N 1 1 14 10317 1 1 10 PRO O O 9.665 -7.809 3.954 1.00 . A A . 12 PRO O 1 1 14 10318 1 1 11 LYS C C 8.168 -7.576 6.966 1.00 . A A . 13 LYS C 1 1 14 10319 1 1 11 LYS CA C 8.541 -6.448 6.000 1.00 . A A . 13 LYS CA 1 1 14 10320 1 1 11 LYS CB C 8.041 -5.111 6.551 1.00 . A A . 13 LYS CB 1 1 14 10321 1 1 11 LYS CD C 8.471 -2.654 6.344 1.00 . A A . 13 LYS CD 1 1 14 10322 1 1 11 LYS CE C 9.877 -2.057 6.276 1.00 . A A . 13 LYS CE 1 1 14 10323 1 1 11 LYS CG C 8.452 -3.988 5.596 1.00 . A A . 13 LYS CG 1 1 14 10324 1 1 11 LYS H H 7.019 -6.334 4.481 1.00 . A A . 13 LYS H 1 1 14 10325 1 1 11 LYS HA H 9.615 -6.410 5.889 1.00 . A A . 13 LYS HA 1 1 14 10326 1 1 11 LYS HB2 H 6.962 -5.136 6.636 1.00 . A A . 13 LYS HB2 1 1 14 10327 1 1 11 LYS HB3 H 8.476 -4.935 7.522 1.00 . A A . 13 LYS HB3 1 1 14 10328 1 1 11 LYS HD2 H 7.768 -1.976 5.882 1.00 . A A . 13 LYS HD2 1 1 14 10329 1 1 11 LYS HD3 H 8.197 -2.813 7.376 1.00 . A A . 13 LYS HD3 1 1 14 10330 1 1 11 LYS HE2 H 10.087 -1.523 7.191 1.00 . A A . 13 LYS HE2 1 1 14 10331 1 1 11 LYS HE3 H 10.599 -2.850 6.147 1.00 . A A . 13 LYS HE3 1 1 14 10332 1 1 11 LYS HG2 H 9.436 -4.194 5.203 1.00 . A A . 13 LYS HG2 1 1 14 10333 1 1 11 LYS HG3 H 7.744 -3.932 4.784 1.00 . A A . 13 LYS HG3 1 1 14 10334 1 1 11 LYS HZ1 H 9.504 -1.550 4.293 1.00 . A A . 13 LYS HZ1 1 1 14 10335 1 1 11 LYS HZ2 H 10.956 -0.918 4.907 1.00 . A A . 13 LYS HZ2 1 1 14 10336 1 1 11 LYS HZ3 H 9.470 -0.233 5.359 1.00 . A A . 13 LYS HZ3 1 1 14 10337 1 1 11 LYS N N 7.912 -6.690 4.671 1.00 . A A . 13 LYS N 1 1 14 10338 1 1 11 LYS NZ N 9.958 -1.118 5.122 1.00 . A A . 13 LYS NZ 1 1 14 10339 1 1 11 LYS O O 7.181 -8.259 6.770 1.00 . A A . 13 LYS O 1 1 14 10340 1 1 12 PRO C C 7.704 -8.368 10.009 1.00 . A A . 14 PRO C 1 1 14 10341 1 1 12 PRO CA C 8.778 -8.787 8.998 1.00 . A A . 14 PRO CA 1 1 14 10342 1 1 12 PRO CB C 10.147 -8.898 9.674 1.00 . A A . 14 PRO CB 1 1 14 10343 1 1 12 PRO CD C 10.182 -6.908 8.199 1.00 . A A . 14 PRO CD 1 1 14 10344 1 1 12 PRO CG C 10.877 -7.558 9.409 1.00 . A A . 14 PRO CG 1 1 14 10345 1 1 12 PRO HA H 8.521 -9.725 8.535 1.00 . A A . 14 PRO HA 1 1 14 10346 1 1 12 PRO HB2 H 10.022 -9.053 10.738 1.00 . A A . 14 PRO HB2 1 1 14 10347 1 1 12 PRO HB3 H 10.711 -9.711 9.243 1.00 . A A . 14 PRO HB3 1 1 14 10348 1 1 12 PRO HD2 H 9.900 -5.890 8.427 1.00 . A A . 14 PRO HD2 1 1 14 10349 1 1 12 PRO HD3 H 10.821 -6.940 7.331 1.00 . A A . 14 PRO HD3 1 1 14 10350 1 1 12 PRO HG2 H 10.796 -6.917 10.277 1.00 . A A . 14 PRO HG2 1 1 14 10351 1 1 12 PRO HG3 H 11.916 -7.742 9.178 1.00 . A A . 14 PRO HG3 1 1 14 10352 1 1 12 PRO N N 8.982 -7.744 7.978 1.00 . A A . 14 PRO N 1 1 14 10353 1 1 12 PRO O O 7.517 -9.012 11.022 1.00 . A A . 14 PRO O 1 1 14 10354 1 1 13 ALA C C 5.426 -5.475 10.338 1.00 . A A . 15 ALA C 1 1 14 10355 1 1 13 ALA CA C 5.945 -6.867 10.713 1.00 . A A . 15 ALA CA 1 1 14 10356 1 1 13 ALA CB C 6.536 -6.823 12.123 1.00 . A A . 15 ALA CB 1 1 14 10357 1 1 13 ALA H H 7.158 -6.788 8.930 1.00 . A A . 15 ALA H 1 1 14 10358 1 1 13 ALA HA H 5.125 -7.571 10.692 1.00 . A A . 15 ALA HA 1 1 14 10359 1 1 13 ALA HB1 H 7.576 -6.535 12.068 1.00 . A A . 15 ALA HB1 1 1 14 10360 1 1 13 ALA HB2 H 6.456 -7.800 12.577 1.00 . A A . 15 ALA HB2 1 1 14 10361 1 1 13 ALA HB3 H 5.995 -6.104 12.720 1.00 . A A . 15 ALA HB3 1 1 14 10362 1 1 13 ALA N N 6.998 -7.300 9.750 1.00 . A A . 15 ALA N 1 1 14 10363 1 1 13 ALA O O 6.185 -4.538 10.190 1.00 . A A . 15 ALA O 1 1 14 10364 1 1 14 CYS C C 3.272 -3.229 11.134 1.00 . A A . 16 CYS C 1 1 14 10365 1 1 14 CYS CA C 3.554 -4.008 9.847 1.00 . A A . 16 CYS CA 1 1 14 10366 1 1 14 CYS CB C 2.242 -4.210 9.081 1.00 . A A . 16 CYS CB 1 1 14 10367 1 1 14 CYS H H 3.543 -6.106 10.331 1.00 . A A . 16 CYS H 1 1 14 10368 1 1 14 CYS HA H 4.253 -3.457 9.234 1.00 . A A . 16 CYS HA 1 1 14 10369 1 1 14 CYS HB2 H 1.625 -4.923 9.606 1.00 . A A . 16 CYS HB2 1 1 14 10370 1 1 14 CYS HB3 H 1.719 -3.268 9.009 1.00 . A A . 16 CYS HB3 1 1 14 10371 1 1 14 CYS N N 4.134 -5.336 10.198 1.00 . A A . 16 CYS N 1 1 14 10372 1 1 14 CYS O O 3.745 -3.579 12.197 1.00 . A A . 16 CYS O 1 1 14 10373 1 1 14 CYS SG S 2.591 -4.829 7.417 1.00 . A A . 16 CYS SG 1 1 14 10374 1 1 15 THR C C 0.706 -0.988 12.243 1.00 . A A . 17 THR C 1 1 14 10375 1 1 15 THR CA C 2.182 -1.387 12.271 1.00 . A A . 17 THR CA 1 1 14 10376 1 1 15 THR CB C 3.051 -0.127 12.300 1.00 . A A . 17 THR CB 1 1 14 10377 1 1 15 THR CG2 C 4.379 -0.437 12.994 1.00 . A A . 17 THR CG2 1 1 14 10378 1 1 15 THR H H 2.125 -1.917 10.185 1.00 . A A . 17 THR H 1 1 14 10379 1 1 15 THR HA H 2.380 -1.982 13.150 1.00 . A A . 17 THR HA 1 1 14 10380 1 1 15 THR HB H 2.539 0.652 12.843 1.00 . A A . 17 THR HB 1 1 14 10381 1 1 15 THR HG1 H 2.753 1.075 10.802 1.00 . A A . 17 THR HG1 1 1 14 10382 1 1 15 THR HG21 H 5.194 -0.035 12.410 1.00 . A A . 17 THR HG21 1 1 14 10383 1 1 15 THR HG22 H 4.496 -1.507 13.088 1.00 . A A . 17 THR HG22 1 1 14 10384 1 1 15 THR HG23 H 4.386 0.013 13.976 1.00 . A A . 17 THR HG23 1 1 14 10385 1 1 15 THR N N 2.500 -2.181 11.051 1.00 . A A . 17 THR N 1 1 14 10386 1 1 15 THR O O 0.023 -1.167 11.253 1.00 . A A . 17 THR O 1 1 14 10387 1 1 15 THR OG1 O 3.300 0.305 10.970 1.00 . A A . 17 THR OG1 1 1 14 10388 1 1 16 MET C C -1.368 1.373 12.774 1.00 . A A . 18 MET C 1 1 14 10389 1 1 16 MET CA C -1.230 -0.040 13.348 1.00 . A A . 18 MET CA 1 1 14 10390 1 1 16 MET CB C -1.744 -0.057 14.791 1.00 . A A . 18 MET CB 1 1 14 10391 1 1 16 MET CE C -3.762 -2.066 16.966 1.00 . A A . 18 MET CE 1 1 14 10392 1 1 16 MET CG C -1.669 -1.481 15.343 1.00 . A A . 18 MET CG 1 1 14 10393 1 1 16 MET H H 0.768 -0.311 14.109 1.00 . A A . 18 MET H 1 1 14 10394 1 1 16 MET HA H -1.811 -0.727 12.751 1.00 . A A . 18 MET HA 1 1 14 10395 1 1 16 MET HB2 H -1.136 0.598 15.398 1.00 . A A . 18 MET HB2 1 1 14 10396 1 1 16 MET HB3 H -2.769 0.280 14.812 1.00 . A A . 18 MET HB3 1 1 14 10397 1 1 16 MET HE1 H -3.765 -3.014 16.446 1.00 . A A . 18 MET HE1 1 1 14 10398 1 1 16 MET HE2 H -4.351 -1.353 16.412 1.00 . A A . 18 MET HE2 1 1 14 10399 1 1 16 MET HE3 H -4.184 -2.191 17.954 1.00 . A A . 18 MET HE3 1 1 14 10400 1 1 16 MET HG2 H -2.379 -2.108 14.823 1.00 . A A . 18 MET HG2 1 1 14 10401 1 1 16 MET HG3 H -0.672 -1.873 15.199 1.00 . A A . 18 MET HG3 1 1 14 10402 1 1 16 MET N N 0.203 -0.448 13.321 1.00 . A A . 18 MET N 1 1 14 10403 1 1 16 MET O O -2.377 2.028 12.949 1.00 . A A . 18 MET O 1 1 14 10404 1 1 16 MET SD S -2.062 -1.465 17.110 1.00 . A A . 18 MET SD 1 1 14 10405 1 1 17 GLU C C -1.710 3.338 10.666 1.00 . A A . 19 GLU C 1 1 14 10406 1 1 17 GLU CA C -0.437 3.216 11.506 1.00 . A A . 19 GLU CA 1 1 14 10407 1 1 17 GLU CB C 0.787 3.453 10.618 1.00 . A A . 19 GLU CB 1 1 14 10408 1 1 17 GLU CD C 2.128 5.310 9.622 1.00 . A A . 19 GLU CD 1 1 14 10409 1 1 17 GLU CG C 0.720 4.857 10.013 1.00 . A A . 19 GLU CG 1 1 14 10410 1 1 17 GLU H H 0.442 1.307 11.960 1.00 . A A . 19 GLU H 1 1 14 10411 1 1 17 GLU HA H -0.456 3.950 12.299 1.00 . A A . 19 GLU HA 1 1 14 10412 1 1 17 GLU HB2 H 1.685 3.358 11.212 1.00 . A A . 19 GLU HB2 1 1 14 10413 1 1 17 GLU HB3 H 0.801 2.722 9.824 1.00 . A A . 19 GLU HB3 1 1 14 10414 1 1 17 GLU HG2 H 0.090 4.841 9.136 1.00 . A A . 19 GLU HG2 1 1 14 10415 1 1 17 GLU HG3 H 0.310 5.543 10.739 1.00 . A A . 19 GLU HG3 1 1 14 10416 1 1 17 GLU N N -0.363 1.850 12.092 1.00 . A A . 19 GLU N 1 1 14 10417 1 1 17 GLU O O -2.272 2.351 10.233 1.00 . A A . 19 GLU O 1 1 14 10418 1 1 17 GLU OE1 O 2.745 4.633 8.818 1.00 . A A . 19 GLU OE1 1 1 14 10419 1 1 17 GLU OE2 O 2.563 6.329 10.134 1.00 . A A . 19 GLU OE2 1 1 14 10420 1 1 18 TYR C C -3.086 5.440 8.325 1.00 . A A . 20 TYR C 1 1 14 10421 1 1 18 TYR CA C -3.409 4.697 9.617 1.00 . A A . 20 TYR CA 1 1 14 10422 1 1 18 TYR CB C -4.458 5.481 10.401 1.00 . A A . 20 TYR CB 1 1 14 10423 1 1 18 TYR CD1 C -6.268 3.744 10.636 1.00 . A A . 20 TYR CD1 1 1 14 10424 1 1 18 TYR CD2 C -6.657 5.643 9.177 1.00 . A A . 20 TYR CD2 1 1 14 10425 1 1 18 TYR CE1 C -7.536 3.241 10.318 1.00 . A A . 20 TYR CE1 1 1 14 10426 1 1 18 TYR CE2 C -7.926 5.140 8.861 1.00 . A A . 20 TYR CE2 1 1 14 10427 1 1 18 TYR CG C -5.829 4.945 10.066 1.00 . A A . 20 TYR CG 1 1 14 10428 1 1 18 TYR CZ C -8.364 3.939 9.432 1.00 . A A . 20 TYR CZ 1 1 14 10429 1 1 18 TYR H H -1.710 5.322 10.784 1.00 . A A . 20 TYR H 1 1 14 10430 1 1 18 TYR HA H -3.804 3.721 9.373 1.00 . A A . 20 TYR HA 1 1 14 10431 1 1 18 TYR HB2 H -4.273 5.368 11.458 1.00 . A A . 20 TYR HB2 1 1 14 10432 1 1 18 TYR HB3 H -4.403 6.524 10.132 1.00 . A A . 20 TYR HB3 1 1 14 10433 1 1 18 TYR HD1 H -5.630 3.206 11.319 1.00 . A A . 20 TYR HD1 1 1 14 10434 1 1 18 TYR HD2 H -6.318 6.568 8.737 1.00 . A A . 20 TYR HD2 1 1 14 10435 1 1 18 TYR HE1 H -7.875 2.315 10.759 1.00 . A A . 20 TYR HE1 1 1 14 10436 1 1 18 TYR HE2 H -8.565 5.678 8.178 1.00 . A A . 20 TYR HE2 1 1 14 10437 1 1 18 TYR HH H -9.534 2.940 8.302 1.00 . A A . 20 TYR HH 1 1 14 10438 1 1 18 TYR N N -2.173 4.535 10.429 1.00 . A A . 20 TYR N 1 1 14 10439 1 1 18 TYR O O -2.732 6.603 8.328 1.00 . A A . 20 TYR O 1 1 14 10440 1 1 18 TYR OH O -9.612 3.441 9.116 1.00 . A A . 20 TYR OH 1 1 14 10441 1 1 19 ARG C C -3.777 4.712 4.837 1.00 . A A . 21 ARG C 1 1 14 10442 1 1 19 ARG CA C -2.934 5.411 5.908 1.00 . A A . 21 ARG CA 1 1 14 10443 1 1 19 ARG CB C -1.447 5.263 5.575 1.00 . A A . 21 ARG CB 1 1 14 10444 1 1 19 ARG CD C 0.651 6.624 5.587 1.00 . A A . 21 ARG CD 1 1 14 10445 1 1 19 ARG CG C -0.647 6.320 6.339 1.00 . A A . 21 ARG CG 1 1 14 10446 1 1 19 ARG CZ C 1.663 8.632 6.493 1.00 . A A . 21 ARG CZ 1 1 14 10447 1 1 19 ARG H H -3.511 3.837 7.254 1.00 . A A . 21 ARG H 1 1 14 10448 1 1 19 ARG HA H -3.192 6.457 5.953 1.00 . A A . 21 ARG HA 1 1 14 10449 1 1 19 ARG HB2 H -1.111 4.277 5.862 1.00 . A A . 21 ARG HB2 1 1 14 10450 1 1 19 ARG HB3 H -1.301 5.400 4.515 1.00 . A A . 21 ARG HB3 1 1 14 10451 1 1 19 ARG HD2 H 1.475 6.125 6.074 1.00 . A A . 21 ARG HD2 1 1 14 10452 1 1 19 ARG HD3 H 0.566 6.272 4.569 1.00 . A A . 21 ARG HD3 1 1 14 10453 1 1 19 ARG HE H 0.473 8.659 4.902 1.00 . A A . 21 ARG HE 1 1 14 10454 1 1 19 ARG HG2 H -1.234 7.223 6.429 1.00 . A A . 21 ARG HG2 1 1 14 10455 1 1 19 ARG HG3 H -0.409 5.946 7.325 1.00 . A A . 21 ARG HG3 1 1 14 10456 1 1 19 ARG HH11 H 0.282 8.530 7.940 1.00 . A A . 21 ARG HH11 1 1 14 10457 1 1 19 ARG HH12 H 1.806 9.216 8.402 1.00 . A A . 21 ARG HH12 1 1 14 10458 1 1 19 ARG HH21 H 3.222 8.858 5.257 1.00 . A A . 21 ARG HH21 1 1 14 10459 1 1 19 ARG HH22 H 3.468 9.402 6.883 1.00 . A A . 21 ARG HH22 1 1 14 10460 1 1 19 ARG N N -3.216 4.770 7.220 1.00 . A A . 21 ARG N 1 1 14 10461 1 1 19 ARG NE N 0.892 8.095 5.584 1.00 . A A . 21 ARG NE 1 1 14 10462 1 1 19 ARG NH1 N 1.216 8.807 7.706 1.00 . A A . 21 ARG NH1 1 1 14 10463 1 1 19 ARG NH2 N 2.879 8.992 6.187 1.00 . A A . 21 ARG NH2 1 1 14 10464 1 1 19 ARG O O -3.418 3.649 4.368 1.00 . A A . 21 ARG O 1 1 14 10465 1 1 20 PRO C C -5.235 4.963 2.080 1.00 . A A . 22 PRO C 1 1 14 10466 1 1 20 PRO CA C -5.805 4.773 3.485 1.00 . A A . 22 PRO CA 1 1 14 10467 1 1 20 PRO CB C -7.084 5.588 3.685 1.00 . A A . 22 PRO CB 1 1 14 10468 1 1 20 PRO CD C -5.305 6.619 5.059 1.00 . A A . 22 PRO CD 1 1 14 10469 1 1 20 PRO CG C -6.658 6.902 4.380 1.00 . A A . 22 PRO CG 1 1 14 10470 1 1 20 PRO HA H -5.997 3.730 3.679 1.00 . A A . 22 PRO HA 1 1 14 10471 1 1 20 PRO HB2 H -7.541 5.799 2.728 1.00 . A A . 22 PRO HB2 1 1 14 10472 1 1 20 PRO HB3 H -7.772 5.050 4.318 1.00 . A A . 22 PRO HB3 1 1 14 10473 1 1 20 PRO HD2 H -4.591 7.396 4.816 1.00 . A A . 22 PRO HD2 1 1 14 10474 1 1 20 PRO HD3 H -5.428 6.535 6.127 1.00 . A A . 22 PRO HD3 1 1 14 10475 1 1 20 PRO HG2 H -6.550 7.690 3.645 1.00 . A A . 22 PRO HG2 1 1 14 10476 1 1 20 PRO HG3 H -7.387 7.183 5.123 1.00 . A A . 22 PRO HG3 1 1 14 10477 1 1 20 PRO N N -4.880 5.324 4.490 1.00 . A A . 22 PRO N 1 1 14 10478 1 1 20 PRO O O -5.158 6.064 1.571 1.00 . A A . 22 PRO O 1 1 14 10479 1 1 21 LEU C C -5.202 3.323 -0.916 1.00 . A A . 23 LEU C 1 1 14 10480 1 1 21 LEU CA C -4.262 4.006 0.083 1.00 . A A . 23 LEU CA 1 1 14 10481 1 1 21 LEU CB C -2.893 3.321 0.057 1.00 . A A . 23 LEU CB 1 1 14 10482 1 1 21 LEU CD1 C -0.697 3.590 1.209 1.00 . A A . 23 LEU CD1 1 1 14 10483 1 1 21 LEU CD2 C -1.232 4.984 -0.792 1.00 . A A . 23 LEU CD2 1 1 14 10484 1 1 21 LEU CG C -1.810 4.322 0.461 1.00 . A A . 23 LEU CG 1 1 14 10485 1 1 21 LEU H H -4.901 3.019 1.884 1.00 . A A . 23 LEU H 1 1 14 10486 1 1 21 LEU HA H -4.151 5.047 -0.180 1.00 . A A . 23 LEU HA 1 1 14 10487 1 1 21 LEU HB2 H -2.892 2.497 0.754 1.00 . A A . 23 LEU HB2 1 1 14 10488 1 1 21 LEU HB3 H -2.691 2.952 -0.936 1.00 . A A . 23 LEU HB3 1 1 14 10489 1 1 21 LEU HD11 H 0.130 4.264 1.375 1.00 . A A . 23 LEU HD11 1 1 14 10490 1 1 21 LEU HD12 H -0.362 2.747 0.623 1.00 . A A . 23 LEU HD12 1 1 14 10491 1 1 21 LEU HD13 H -1.071 3.240 2.160 1.00 . A A . 23 LEU HD13 1 1 14 10492 1 1 21 LEU HD21 H -1.986 5.602 -1.254 1.00 . A A . 23 LEU HD21 1 1 14 10493 1 1 21 LEU HD22 H -0.915 4.221 -1.487 1.00 . A A . 23 LEU HD22 1 1 14 10494 1 1 21 LEU HD23 H -0.385 5.594 -0.517 1.00 . A A . 23 LEU HD23 1 1 14 10495 1 1 21 LEU HG H -2.241 5.077 1.104 1.00 . A A . 23 LEU HG 1 1 14 10496 1 1 21 LEU N N -4.832 3.896 1.452 1.00 . A A . 23 LEU N 1 1 14 10497 1 1 21 LEU O O -5.571 2.178 -0.750 1.00 . A A . 23 LEU O 1 1 14 10498 1 1 22 CYS C C -5.689 2.697 -4.036 1.00 . A A . 24 CYS C 1 1 14 10499 1 1 22 CYS CA C -6.513 3.397 -2.951 1.00 . A A . 24 CYS CA 1 1 14 10500 1 1 22 CYS CB C -7.380 4.481 -3.595 1.00 . A A . 24 CYS CB 1 1 14 10501 1 1 22 CYS H H -5.289 4.941 -2.072 1.00 . A A . 24 CYS H 1 1 14 10502 1 1 22 CYS HA H -7.147 2.677 -2.457 1.00 . A A . 24 CYS HA 1 1 14 10503 1 1 22 CYS HB2 H -7.926 5.008 -2.828 1.00 . A A . 24 CYS HB2 1 1 14 10504 1 1 22 CYS HB3 H -6.749 5.175 -4.131 1.00 . A A . 24 CYS HB3 1 1 14 10505 1 1 22 CYS N N -5.594 4.016 -1.952 1.00 . A A . 24 CYS N 1 1 14 10506 1 1 22 CYS O O -5.434 3.249 -5.086 1.00 . A A . 24 CYS O 1 1 14 10507 1 1 22 CYS SG S -8.545 3.713 -4.747 1.00 . A A . 24 CYS SG 1 1 14 10508 1 1 23 GLY C C -5.066 0.926 -6.182 1.00 . A A . 25 GLY C 1 1 14 10509 1 1 23 GLY CA C -4.459 0.745 -4.791 1.00 . A A . 25 GLY CA 1 1 14 10510 1 1 23 GLY H H -5.487 1.062 -2.928 1.00 . A A . 25 GLY H 1 1 14 10511 1 1 23 GLY HA2 H -3.447 1.125 -4.787 1.00 . A A . 25 GLY HA2 1 1 14 10512 1 1 23 GLY HA3 H -4.449 -0.306 -4.542 1.00 . A A . 25 GLY HA3 1 1 14 10513 1 1 23 GLY N N -5.270 1.486 -3.783 1.00 . A A . 25 GLY N 1 1 14 10514 1 1 23 GLY O O -6.254 1.147 -6.327 1.00 . A A . 25 GLY O 1 1 14 10515 1 1 24 SER C C -6.004 0.113 -8.824 1.00 . A A . 26 SER C 1 1 14 10516 1 1 24 SER CA C -4.769 0.992 -8.602 1.00 . A A . 26 SER CA 1 1 14 10517 1 1 24 SER CB C -3.676 0.582 -9.592 1.00 . A A . 26 SER CB 1 1 14 10518 1 1 24 SER H H -3.306 0.644 -7.062 1.00 . A A . 26 SER H 1 1 14 10519 1 1 24 SER HA H -5.030 2.024 -8.769 1.00 . A A . 26 SER HA 1 1 14 10520 1 1 24 SER HB2 H -2.730 0.524 -9.080 1.00 . A A . 26 SER HB2 1 1 14 10521 1 1 24 SER HB3 H -3.916 -0.385 -10.013 1.00 . A A . 26 SER HB3 1 1 14 10522 1 1 24 SER HG H -2.705 1.929 -10.608 1.00 . A A . 26 SER HG 1 1 14 10523 1 1 24 SER N N -4.257 0.828 -7.209 1.00 . A A . 26 SER N 1 1 14 10524 1 1 24 SER O O -6.760 0.320 -9.752 1.00 . A A . 26 SER O 1 1 14 10525 1 1 24 SER OG O -3.590 1.555 -10.624 1.00 . A A . 26 SER OG 1 1 14 10526 1 1 25 ASP C C -8.639 -1.101 -7.509 1.00 . A A . 27 ASP C 1 1 14 10527 1 1 25 ASP CA C -7.410 -1.746 -8.161 1.00 . A A . 27 ASP CA 1 1 14 10528 1 1 25 ASP CB C -7.138 -3.096 -7.499 1.00 . A A . 27 ASP CB 1 1 14 10529 1 1 25 ASP CG C -7.163 -2.935 -5.978 1.00 . A A . 27 ASP CG 1 1 14 10530 1 1 25 ASP H H -5.603 -1.018 -7.245 1.00 . A A . 27 ASP H 1 1 14 10531 1 1 25 ASP HA H -7.598 -1.892 -9.214 1.00 . A A . 27 ASP HA 1 1 14 10532 1 1 25 ASP HB2 H -7.898 -3.803 -7.800 1.00 . A A . 27 ASP HB2 1 1 14 10533 1 1 25 ASP HB3 H -6.167 -3.459 -7.804 1.00 . A A . 27 ASP HB3 1 1 14 10534 1 1 25 ASP N N -6.221 -0.863 -7.987 1.00 . A A . 27 ASP N 1 1 14 10535 1 1 25 ASP O O -9.597 -1.770 -7.177 1.00 . A A . 27 ASP O 1 1 14 10536 1 1 25 ASP OD1 O -7.065 -1.809 -5.519 1.00 . A A . 27 ASP OD1 1 1 14 10537 1 1 25 ASP OD2 O -7.279 -3.941 -5.297 1.00 . A A . 27 ASP OD2 1 1 14 10538 1 1 26 ASN C C -10.057 0.247 -5.324 1.00 . A A . 28 ASN C 1 1 14 10539 1 1 26 ASN CA C -9.787 0.869 -6.694 1.00 . A A . 28 ASN CA 1 1 14 10540 1 1 26 ASN CB C -11.021 0.698 -7.585 1.00 . A A . 28 ASN CB 1 1 14 10541 1 1 26 ASN CG C -11.708 2.051 -7.771 1.00 . A A . 28 ASN CG 1 1 14 10542 1 1 26 ASN H H -7.842 0.712 -7.596 1.00 . A A . 28 ASN H 1 1 14 10543 1 1 26 ASN HA H -9.572 1.920 -6.576 1.00 . A A . 28 ASN HA 1 1 14 10544 1 1 26 ASN HB2 H -10.718 0.311 -8.547 1.00 . A A . 28 ASN HB2 1 1 14 10545 1 1 26 ASN HB3 H -11.709 0.008 -7.118 1.00 . A A . 28 ASN HB3 1 1 14 10546 1 1 26 ASN HD21 H -11.269 2.164 -9.704 1.00 . A A . 28 ASN HD21 1 1 14 10547 1 1 26 ASN HD22 H -12.145 3.478 -9.081 1.00 . A A . 28 ASN HD22 1 1 14 10548 1 1 26 ASN N N -8.621 0.190 -7.323 1.00 . A A . 28 ASN N 1 1 14 10549 1 1 26 ASN ND2 N -11.708 2.611 -8.950 1.00 . A A . 28 ASN ND2 1 1 14 10550 1 1 26 ASN O O -11.190 0.058 -4.928 1.00 . A A . 28 ASN O 1 1 14 10551 1 1 26 ASN OD1 O -12.250 2.605 -6.836 1.00 . A A . 28 ASN OD1 1 1 14 10552 1 1 27 LYS C C -8.483 0.122 -2.197 1.00 . A A . 29 LYS C 1 1 14 10553 1 1 27 LYS CA C -9.227 -0.689 -3.253 1.00 . A A . 29 LYS CA 1 1 14 10554 1 1 27 LYS CB C -8.696 -2.123 -3.262 1.00 . A A . 29 LYS CB 1 1 14 10555 1 1 27 LYS CD C -8.656 -3.597 -1.245 1.00 . A A . 29 LYS CD 1 1 14 10556 1 1 27 LYS CE C -9.528 -4.149 -0.115 1.00 . A A . 29 LYS CE 1 1 14 10557 1 1 27 LYS CG C -9.545 -2.985 -2.329 1.00 . A A . 29 LYS CG 1 1 14 10558 1 1 27 LYS H H -8.114 0.080 -4.930 1.00 . A A . 29 LYS H 1 1 14 10559 1 1 27 LYS HA H -10.276 -0.697 -3.019 1.00 . A A . 29 LYS HA 1 1 14 10560 1 1 27 LYS HB2 H -8.747 -2.517 -4.267 1.00 . A A . 29 LYS HB2 1 1 14 10561 1 1 27 LYS HB3 H -7.670 -2.130 -2.923 1.00 . A A . 29 LYS HB3 1 1 14 10562 1 1 27 LYS HD2 H -8.068 -4.398 -1.671 1.00 . A A . 29 LYS HD2 1 1 14 10563 1 1 27 LYS HD3 H -7.997 -2.839 -0.850 1.00 . A A . 29 LYS HD3 1 1 14 10564 1 1 27 LYS HE2 H -10.056 -3.335 0.363 1.00 . A A . 29 LYS HE2 1 1 14 10565 1 1 27 LYS HE3 H -10.241 -4.850 -0.520 1.00 . A A . 29 LYS HE3 1 1 14 10566 1 1 27 LYS HG2 H -10.306 -2.371 -1.868 1.00 . A A . 29 LYS HG2 1 1 14 10567 1 1 27 LYS HG3 H -10.013 -3.774 -2.896 1.00 . A A . 29 LYS HG3 1 1 14 10568 1 1 27 LYS HZ1 H -8.698 -4.320 1.787 1.00 . A A . 29 LYS HZ1 1 1 14 10569 1 1 27 LYS HZ2 H -7.686 -4.866 0.537 1.00 . A A . 29 LYS HZ2 1 1 14 10570 1 1 27 LYS HZ3 H -9.011 -5.808 1.032 1.00 . A A . 29 LYS HZ3 1 1 14 10571 1 1 27 LYS N N -9.023 -0.077 -4.594 1.00 . A A . 29 LYS N 1 1 14 10572 1 1 27 LYS NZ N -8.665 -4.837 0.886 1.00 . A A . 29 LYS NZ 1 1 14 10573 1 1 27 LYS O O -7.398 0.604 -2.427 1.00 . A A . 29 LYS O 1 1 14 10574 1 1 28 THR C C -7.372 0.158 0.757 1.00 . A A . 30 THR C 1 1 14 10575 1 1 28 THR CA C -8.371 1.060 0.029 1.00 . A A . 30 THR CA 1 1 14 10576 1 1 28 THR CB C -9.407 1.587 1.024 1.00 . A A . 30 THR CB 1 1 14 10577 1 1 28 THR CG2 C -8.700 2.377 2.127 1.00 . A A . 30 THR CG2 1 1 14 10578 1 1 28 THR H H -9.936 -0.122 -0.866 1.00 . A A . 30 THR H 1 1 14 10579 1 1 28 THR HA H -7.846 1.890 -0.419 1.00 . A A . 30 THR HA 1 1 14 10580 1 1 28 THR HB H -9.938 0.757 1.465 1.00 . A A . 30 THR HB 1 1 14 10581 1 1 28 THR HG1 H -9.887 2.785 -0.435 1.00 . A A . 30 THR HG1 1 1 14 10582 1 1 28 THR HG21 H -7.813 2.846 1.723 1.00 . A A . 30 THR HG21 1 1 14 10583 1 1 28 THR HG22 H -8.420 1.707 2.926 1.00 . A A . 30 THR HG22 1 1 14 10584 1 1 28 THR HG23 H -9.365 3.135 2.510 1.00 . A A . 30 THR HG23 1 1 14 10585 1 1 28 THR N N -9.057 0.277 -1.037 1.00 . A A . 30 THR N 1 1 14 10586 1 1 28 THR O O -7.541 -1.042 0.831 1.00 . A A . 30 THR O 1 1 14 10587 1 1 28 THR OG1 O -10.325 2.432 0.344 1.00 . A A . 30 THR OG1 1 1 14 10588 1 1 29 TYR C C -5.200 0.370 3.452 1.00 . A A . 31 TYR C 1 1 14 10589 1 1 29 TYR CA C -5.311 -0.092 2.001 1.00 . A A . 31 TYR CA 1 1 14 10590 1 1 29 TYR CB C -3.966 0.060 1.294 1.00 . A A . 31 TYR CB 1 1 14 10591 1 1 29 TYR CD1 C -3.983 -2.375 0.637 1.00 . A A . 31 TYR CD1 1 1 14 10592 1 1 29 TYR CD2 C -3.532 -0.708 -1.066 1.00 . A A . 31 TYR CD2 1 1 14 10593 1 1 29 TYR CE1 C -3.859 -3.387 -0.322 1.00 . A A . 31 TYR CE1 1 1 14 10594 1 1 29 TYR CE2 C -3.411 -1.719 -2.025 1.00 . A A . 31 TYR CE2 1 1 14 10595 1 1 29 TYR CG C -3.820 -1.034 0.265 1.00 . A A . 31 TYR CG 1 1 14 10596 1 1 29 TYR CZ C -3.574 -3.059 -1.654 1.00 . A A . 31 TYR CZ 1 1 14 10597 1 1 29 TYR H H -6.201 1.696 1.211 1.00 . A A . 31 TYR H 1 1 14 10598 1 1 29 TYR HA H -5.605 -1.129 1.984 1.00 . A A . 31 TYR HA 1 1 14 10599 1 1 29 TYR HB2 H -3.929 1.019 0.806 1.00 . A A . 31 TYR HB2 1 1 14 10600 1 1 29 TYR HB3 H -3.170 -0.010 2.016 1.00 . A A . 31 TYR HB3 1 1 14 10601 1 1 29 TYR HD1 H -4.203 -2.628 1.664 1.00 . A A . 31 TYR HD1 1 1 14 10602 1 1 29 TYR HD2 H -3.407 0.326 -1.353 1.00 . A A . 31 TYR HD2 1 1 14 10603 1 1 29 TYR HE1 H -3.983 -4.421 -0.036 1.00 . A A . 31 TYR HE1 1 1 14 10604 1 1 29 TYR HE2 H -3.189 -1.468 -3.053 1.00 . A A . 31 TYR HE2 1 1 14 10605 1 1 29 TYR HH H -3.763 -4.875 -2.207 1.00 . A A . 31 TYR HH 1 1 14 10606 1 1 29 TYR N N -6.324 0.728 1.288 1.00 . A A . 31 TYR N 1 1 14 10607 1 1 29 TYR O O -5.522 1.495 3.786 1.00 . A A . 31 TYR O 1 1 14 10608 1 1 29 TYR OH O -3.457 -4.054 -2.601 1.00 . A A . 31 TYR OH 1 1 14 10609 1 1 30 GLY C C -3.463 0.847 5.931 1.00 . A A . 32 GLY C 1 1 14 10610 1 1 30 GLY CA C -4.627 -0.125 5.752 1.00 . A A . 32 GLY CA 1 1 14 10611 1 1 30 GLY H H -4.507 -1.395 4.019 1.00 . A A . 32 GLY H 1 1 14 10612 1 1 30 GLY HA2 H -5.543 0.346 6.084 1.00 . A A . 32 GLY HA2 1 1 14 10613 1 1 30 GLY HA3 H -4.444 -1.011 6.340 1.00 . A A . 32 GLY HA3 1 1 14 10614 1 1 30 GLY N N -4.754 -0.496 4.316 1.00 . A A . 32 GLY N 1 1 14 10615 1 1 30 GLY O O -3.467 1.675 6.821 1.00 . A A . 32 GLY O 1 1 14 10616 1 1 31 ASN C C -0.234 1.326 4.191 1.00 . A A . 33 ASN C 1 1 14 10617 1 1 31 ASN CA C -1.311 1.691 5.218 1.00 . A A . 33 ASN CA 1 1 14 10618 1 1 31 ASN CB C -0.722 1.602 6.633 1.00 . A A . 33 ASN CB 1 1 14 10619 1 1 31 ASN CG C -0.281 0.167 6.924 1.00 . A A . 33 ASN CG 1 1 14 10620 1 1 31 ASN H H -2.487 0.093 4.372 1.00 . A A . 33 ASN H 1 1 14 10621 1 1 31 ASN HA H -1.647 2.700 5.035 1.00 . A A . 33 ASN HA 1 1 14 10622 1 1 31 ASN HB2 H 0.130 2.261 6.708 1.00 . A A . 33 ASN HB2 1 1 14 10623 1 1 31 ASN HB3 H -1.468 1.899 7.354 1.00 . A A . 33 ASN HB3 1 1 14 10624 1 1 31 ASN HD21 H 0.445 0.603 8.719 1.00 . A A . 33 ASN HD21 1 1 14 10625 1 1 31 ASN HD22 H 0.584 -1.023 8.256 1.00 . A A . 33 ASN HD22 1 1 14 10626 1 1 31 ASN N N -2.468 0.762 5.091 1.00 . A A . 33 ASN N 1 1 14 10627 1 1 31 ASN ND2 N 0.298 -0.107 8.062 1.00 . A A . 33 ASN ND2 1 1 14 10628 1 1 31 ASN O O -0.434 0.494 3.329 1.00 . A A . 33 ASN O 1 1 14 10629 1 1 31 ASN OD1 O -0.464 -0.711 6.110 1.00 . A A . 33 ASN OD1 1 1 14 10630 1 1 32 LYS C C 2.564 0.273 3.517 1.00 . A A . 34 LYS C 1 1 14 10631 1 1 32 LYS CA C 2.006 1.685 3.313 1.00 . A A . 34 LYS CA 1 1 14 10632 1 1 32 LYS CB C 3.125 2.703 3.526 1.00 . A A . 34 LYS CB 1 1 14 10633 1 1 32 LYS CD C 5.253 2.706 4.839 1.00 . A A . 34 LYS CD 1 1 14 10634 1 1 32 LYS CE C 5.617 4.075 5.417 1.00 . A A . 34 LYS CE 1 1 14 10635 1 1 32 LYS CG C 3.738 2.507 4.915 1.00 . A A . 34 LYS CG 1 1 14 10636 1 1 32 LYS H H 1.024 2.629 4.977 1.00 . A A . 34 LYS H 1 1 14 10637 1 1 32 LYS HA H 1.629 1.777 2.306 1.00 . A A . 34 LYS HA 1 1 14 10638 1 1 32 LYS HB2 H 3.888 2.565 2.771 1.00 . A A . 34 LYS HB2 1 1 14 10639 1 1 32 LYS HB3 H 2.722 3.703 3.452 1.00 . A A . 34 LYS HB3 1 1 14 10640 1 1 32 LYS HD2 H 5.745 1.931 5.408 1.00 . A A . 34 LYS HD2 1 1 14 10641 1 1 32 LYS HD3 H 5.570 2.655 3.809 1.00 . A A . 34 LYS HD3 1 1 14 10642 1 1 32 LYS HE2 H 4.793 4.448 6.005 1.00 . A A . 34 LYS HE2 1 1 14 10643 1 1 32 LYS HE3 H 6.493 3.980 6.041 1.00 . A A . 34 LYS HE3 1 1 14 10644 1 1 32 LYS HG2 H 3.312 3.226 5.601 1.00 . A A . 34 LYS HG2 1 1 14 10645 1 1 32 LYS HG3 H 3.525 1.506 5.262 1.00 . A A . 34 LYS HG3 1 1 14 10646 1 1 32 LYS HZ1 H 5.063 5.614 4.128 1.00 . A A . 34 LYS HZ1 1 1 14 10647 1 1 32 LYS HZ2 H 6.136 4.487 3.443 1.00 . A A . 34 LYS HZ2 1 1 14 10648 1 1 32 LYS HZ3 H 6.702 5.633 4.563 1.00 . A A . 34 LYS HZ3 1 1 14 10649 1 1 32 LYS N N 0.901 1.959 4.279 1.00 . A A . 34 LYS N 1 1 14 10650 1 1 32 LYS NZ N 5.901 5.024 4.304 1.00 . A A . 34 LYS NZ 1 1 14 10651 1 1 32 LYS O O 3.193 -0.278 2.635 1.00 . A A . 34 LYS O 1 1 14 10652 1 1 33 CYS C C 1.965 -2.690 4.155 1.00 . A A . 35 CYS C 1 1 14 10653 1 1 33 CYS CA C 2.881 -1.698 4.869 1.00 . A A . 35 CYS CA 1 1 14 10654 1 1 33 CYS CB C 2.916 -2.002 6.362 1.00 . A A . 35 CYS CB 1 1 14 10655 1 1 33 CYS H H 1.839 0.114 5.369 1.00 . A A . 35 CYS H 1 1 14 10656 1 1 33 CYS HA H 3.879 -1.769 4.460 1.00 . A A . 35 CYS HA 1 1 14 10657 1 1 33 CYS HB2 H 3.365 -1.169 6.885 1.00 . A A . 35 CYS HB2 1 1 14 10658 1 1 33 CYS HB3 H 1.910 -2.148 6.716 1.00 . A A . 35 CYS HB3 1 1 14 10659 1 1 33 CYS N N 2.349 -0.328 4.657 1.00 . A A . 35 CYS N 1 1 14 10660 1 1 33 CYS O O 2.392 -3.723 3.679 1.00 . A A . 35 CYS O 1 1 14 10661 1 1 33 CYS SG S 3.901 -3.494 6.653 1.00 . A A . 35 CYS SG 1 1 14 10662 1 1 34 ASN C C -0.199 -2.919 1.867 1.00 . A A . 36 ASN C 1 1 14 10663 1 1 34 ASN CA C -0.250 -3.247 3.357 1.00 . A A . 36 ASN CA 1 1 14 10664 1 1 34 ASN CB C -1.652 -2.970 3.893 1.00 . A A . 36 ASN CB 1 1 14 10665 1 1 34 ASN CG C -2.314 -4.282 4.301 1.00 . A A . 36 ASN CG 1 1 14 10666 1 1 34 ASN H H 0.395 -1.516 4.432 1.00 . A A . 36 ASN H 1 1 14 10667 1 1 34 ASN HA H 0.011 -4.282 3.522 1.00 . A A . 36 ASN HA 1 1 14 10668 1 1 34 ASN HB2 H -1.584 -2.319 4.753 1.00 . A A . 36 ASN HB2 1 1 14 10669 1 1 34 ASN HB3 H -2.239 -2.490 3.129 1.00 . A A . 36 ASN HB3 1 1 14 10670 1 1 34 ASN HD21 H -1.970 -4.001 6.232 1.00 . A A . 36 ASN HD21 1 1 14 10671 1 1 34 ASN HD22 H -2.783 -5.438 5.841 1.00 . A A . 36 ASN HD22 1 1 14 10672 1 1 34 ASN N N 0.708 -2.361 4.058 1.00 . A A . 36 ASN N 1 1 14 10673 1 1 34 ASN ND2 N -2.360 -4.602 5.563 1.00 . A A . 36 ASN ND2 1 1 14 10674 1 1 34 ASN O O -0.668 -3.669 1.031 1.00 . A A . 36 ASN O 1 1 14 10675 1 1 34 ASN OD1 O -2.793 -5.024 3.466 1.00 . A A . 36 ASN OD1 1 1 14 10676 1 1 35 PHE C C 1.687 -2.038 -0.533 1.00 . A A . 37 PHE C 1 1 14 10677 1 1 35 PHE CA C 0.466 -1.379 0.109 1.00 . A A . 37 PHE CA 1 1 14 10678 1 1 35 PHE CB C 0.619 0.142 0.041 1.00 . A A . 37 PHE CB 1 1 14 10679 1 1 35 PHE CD1 C -0.417 0.460 -2.234 1.00 . A A . 37 PHE CD1 1 1 14 10680 1 1 35 PHE CD2 C 1.903 1.087 -1.909 1.00 . A A . 37 PHE CD2 1 1 14 10681 1 1 35 PHE CE1 C -0.338 0.859 -3.574 1.00 . A A . 37 PHE CE1 1 1 14 10682 1 1 35 PHE CE2 C 1.985 1.485 -3.248 1.00 . A A . 37 PHE CE2 1 1 14 10683 1 1 35 PHE CG C 0.703 0.574 -1.402 1.00 . A A . 37 PHE CG 1 1 14 10684 1 1 35 PHE CZ C 0.863 1.371 -4.080 1.00 . A A . 37 PHE CZ 1 1 14 10685 1 1 35 PHE H H 0.732 -1.208 2.232 1.00 . A A . 37 PHE H 1 1 14 10686 1 1 35 PHE HA H -0.427 -1.678 -0.417 1.00 . A A . 37 PHE HA 1 1 14 10687 1 1 35 PHE HB2 H -0.231 0.613 0.515 1.00 . A A . 37 PHE HB2 1 1 14 10688 1 1 35 PHE HB3 H 1.523 0.433 0.555 1.00 . A A . 37 PHE HB3 1 1 14 10689 1 1 35 PHE HD1 H -1.344 0.065 -1.843 1.00 . A A . 37 PHE HD1 1 1 14 10690 1 1 35 PHE HD2 H 2.767 1.175 -1.266 1.00 . A A . 37 PHE HD2 1 1 14 10691 1 1 35 PHE HE1 H -1.202 0.771 -4.217 1.00 . A A . 37 PHE HE1 1 1 14 10692 1 1 35 PHE HE2 H 2.910 1.880 -3.638 1.00 . A A . 37 PHE HE2 1 1 14 10693 1 1 35 PHE HZ H 0.927 1.675 -5.115 1.00 . A A . 37 PHE HZ 1 1 14 10694 1 1 35 PHE N N 0.369 -1.791 1.535 1.00 . A A . 37 PHE N 1 1 14 10695 1 1 35 PHE O O 1.603 -2.620 -1.596 1.00 . A A . 37 PHE O 1 1 14 10696 1 1 36 CYS C C 3.922 -4.082 -0.396 1.00 . A A . 38 CYS C 1 1 14 10697 1 1 36 CYS CA C 4.046 -2.566 -0.475 1.00 . A A . 38 CYS CA 1 1 14 10698 1 1 36 CYS CB C 5.279 -2.110 0.304 1.00 . A A . 38 CYS CB 1 1 14 10699 1 1 36 CYS H H 2.870 -1.475 0.958 1.00 . A A . 38 CYS H 1 1 14 10700 1 1 36 CYS HA H 4.142 -2.269 -1.508 1.00 . A A . 38 CYS HA 1 1 14 10701 1 1 36 CYS HB2 H 5.015 -1.938 1.336 1.00 . A A . 38 CYS HB2 1 1 14 10702 1 1 36 CYS HB3 H 6.040 -2.874 0.248 1.00 . A A . 38 CYS HB3 1 1 14 10703 1 1 36 CYS N N 2.824 -1.947 0.102 1.00 . A A . 38 CYS N 1 1 14 10704 1 1 36 CYS O O 4.374 -4.798 -1.266 1.00 . A A . 38 CYS O 1 1 14 10705 1 1 36 CYS SG S 5.914 -0.578 -0.422 1.00 . A A . 38 CYS SG 1 1 14 10706 1 1 37 ASN C C 2.041 -6.500 -0.198 1.00 . A A . 39 ASN C 1 1 14 10707 1 1 37 ASN CA C 3.143 -6.053 0.753 1.00 . A A . 39 ASN CA 1 1 14 10708 1 1 37 ASN CB C 2.767 -6.421 2.187 1.00 . A A . 39 ASN CB 1 1 14 10709 1 1 37 ASN CG C 4.025 -6.454 3.053 1.00 . A A . 39 ASN CG 1 1 14 10710 1 1 37 ASN H H 2.938 -3.984 1.324 1.00 . A A . 39 ASN H 1 1 14 10711 1 1 37 ASN HA H 4.067 -6.536 0.476 1.00 . A A . 39 ASN HA 1 1 14 10712 1 1 37 ASN HB2 H 2.078 -5.686 2.578 1.00 . A A . 39 ASN HB2 1 1 14 10713 1 1 37 ASN HB3 H 2.299 -7.394 2.197 1.00 . A A . 39 ASN HB3 1 1 14 10714 1 1 37 ASN HD21 H 4.467 -8.331 2.581 1.00 . A A . 39 ASN HD21 1 1 14 10715 1 1 37 ASN HD22 H 5.541 -7.579 3.659 1.00 . A A . 39 ASN HD22 1 1 14 10716 1 1 37 ASN N N 3.304 -4.580 0.635 1.00 . A A . 39 ASN N 1 1 14 10717 1 1 37 ASN ND2 N 4.739 -7.544 3.100 1.00 . A A . 39 ASN ND2 1 1 14 10718 1 1 37 ASN O O 2.175 -7.478 -0.903 1.00 . A A . 39 ASN O 1 1 14 10719 1 1 37 ASN OD1 O 4.363 -5.478 3.692 1.00 . A A . 39 ASN OD1 1 1 14 10720 1 1 38 ALA C C 0.481 -6.155 -2.588 1.00 . A A . 40 ALA C 1 1 14 10721 1 1 38 ALA CA C -0.120 -6.151 -1.187 1.00 . A A . 40 ALA CA 1 1 14 10722 1 1 38 ALA CB C -1.253 -5.130 -1.113 1.00 . A A . 40 ALA CB 1 1 14 10723 1 1 38 ALA H H 0.881 -4.975 0.309 1.00 . A A . 40 ALA H 1 1 14 10724 1 1 38 ALA HA H -0.493 -7.135 -0.941 1.00 . A A . 40 ALA HA 1 1 14 10725 1 1 38 ALA HB1 H -1.928 -5.285 -1.940 1.00 . A A . 40 ALA HB1 1 1 14 10726 1 1 38 ALA HB2 H -0.843 -4.132 -1.164 1.00 . A A . 40 ALA HB2 1 1 14 10727 1 1 38 ALA HB3 H -1.789 -5.252 -0.182 1.00 . A A . 40 ALA HB3 1 1 14 10728 1 1 38 ALA N N 0.963 -5.774 -0.247 1.00 . A A . 40 ALA N 1 1 14 10729 1 1 38 ALA O O -0.004 -6.810 -3.489 1.00 . A A . 40 ALA O 1 1 14 10730 1 1 39 VAL C C 2.952 -6.718 -4.310 1.00 . A A . 41 VAL C 1 1 14 10731 1 1 39 VAL CA C 2.227 -5.389 -4.088 1.00 . A A . 41 VAL CA 1 1 14 10732 1 1 39 VAL CB C 3.234 -4.227 -4.115 1.00 . A A . 41 VAL CB 1 1 14 10733 1 1 39 VAL CG1 C 4.311 -4.481 -5.176 1.00 . A A . 41 VAL CG1 1 1 14 10734 1 1 39 VAL CG2 C 2.498 -2.928 -4.448 1.00 . A A . 41 VAL CG2 1 1 14 10735 1 1 39 VAL H H 1.930 -4.926 -2.010 1.00 . A A . 41 VAL H 1 1 14 10736 1 1 39 VAL HA H 1.489 -5.247 -4.862 1.00 . A A . 41 VAL HA 1 1 14 10737 1 1 39 VAL HB H 3.701 -4.137 -3.145 1.00 . A A . 41 VAL HB 1 1 14 10738 1 1 39 VAL HG11 H 4.807 -3.551 -5.411 1.00 . A A . 41 VAL HG11 1 1 14 10739 1 1 39 VAL HG12 H 3.852 -4.881 -6.067 1.00 . A A . 41 VAL HG12 1 1 14 10740 1 1 39 VAL HG13 H 5.032 -5.187 -4.793 1.00 . A A . 41 VAL HG13 1 1 14 10741 1 1 39 VAL HG21 H 3.082 -2.353 -5.153 1.00 . A A . 41 VAL HG21 1 1 14 10742 1 1 39 VAL HG22 H 2.354 -2.352 -3.547 1.00 . A A . 41 VAL HG22 1 1 14 10743 1 1 39 VAL HG23 H 1.536 -3.161 -4.884 1.00 . A A . 41 VAL HG23 1 1 14 10744 1 1 39 VAL N N 1.556 -5.432 -2.762 1.00 . A A . 41 VAL N 1 1 14 10745 1 1 39 VAL O O 2.986 -7.241 -5.406 1.00 . A A . 41 VAL O 1 1 14 10746 1 1 40 VAL C C 3.223 -9.715 -3.315 1.00 . A A . 42 VAL C 1 1 14 10747 1 1 40 VAL CA C 4.234 -8.573 -3.440 1.00 . A A . 42 VAL CA 1 1 14 10748 1 1 40 VAL CB C 5.314 -8.712 -2.366 1.00 . A A . 42 VAL CB 1 1 14 10749 1 1 40 VAL CG1 C 6.072 -10.026 -2.570 1.00 . A A . 42 VAL CG1 1 1 14 10750 1 1 40 VAL CG2 C 6.292 -7.539 -2.481 1.00 . A A . 42 VAL CG2 1 1 14 10751 1 1 40 VAL H H 3.485 -6.837 -2.394 1.00 . A A . 42 VAL H 1 1 14 10752 1 1 40 VAL HA H 4.691 -8.611 -4.419 1.00 . A A . 42 VAL HA 1 1 14 10753 1 1 40 VAL HB H 4.856 -8.707 -1.389 1.00 . A A . 42 VAL HB 1 1 14 10754 1 1 40 VAL HG11 H 5.381 -10.854 -2.507 1.00 . A A . 42 VAL HG11 1 1 14 10755 1 1 40 VAL HG12 H 6.827 -10.129 -1.805 1.00 . A A . 42 VAL HG12 1 1 14 10756 1 1 40 VAL HG13 H 6.542 -10.024 -3.542 1.00 . A A . 42 VAL HG13 1 1 14 10757 1 1 40 VAL HG21 H 5.740 -6.610 -2.487 1.00 . A A . 42 VAL HG21 1 1 14 10758 1 1 40 VAL HG22 H 6.855 -7.629 -3.397 1.00 . A A . 42 VAL HG22 1 1 14 10759 1 1 40 VAL HG23 H 6.969 -7.549 -1.639 1.00 . A A . 42 VAL HG23 1 1 14 10760 1 1 40 VAL N N 3.527 -7.274 -3.278 1.00 . A A . 42 VAL N 1 1 14 10761 1 1 40 VAL O O 3.525 -10.858 -3.592 1.00 . A A . 42 VAL O 1 1 14 10762 1 1 41 GLU C C 0.112 -10.472 -4.036 1.00 . A A . 43 GLU C 1 1 14 10763 1 1 41 GLU CA C 0.981 -10.470 -2.777 1.00 . A A . 43 GLU CA 1 1 14 10764 1 1 41 GLU CB C 0.106 -10.182 -1.554 1.00 . A A . 43 GLU CB 1 1 14 10765 1 1 41 GLU CD C 0.504 -10.946 0.793 1.00 . A A . 43 GLU CD 1 1 14 10766 1 1 41 GLU CG C 0.990 -10.009 -0.317 1.00 . A A . 43 GLU CG 1 1 14 10767 1 1 41 GLU H H 1.795 -8.480 -2.700 1.00 . A A . 43 GLU H 1 1 14 10768 1 1 41 GLU HA H 1.459 -11.434 -2.664 1.00 . A A . 43 GLU HA 1 1 14 10769 1 1 41 GLU HB2 H -0.460 -9.278 -1.723 1.00 . A A . 43 GLU HB2 1 1 14 10770 1 1 41 GLU HB3 H -0.574 -11.007 -1.397 1.00 . A A . 43 GLU HB3 1 1 14 10771 1 1 41 GLU HG2 H 2.012 -10.249 -0.569 1.00 . A A . 43 GLU HG2 1 1 14 10772 1 1 41 GLU HG3 H 0.933 -8.988 0.027 1.00 . A A . 43 GLU HG3 1 1 14 10773 1 1 41 GLU N N 2.020 -9.410 -2.908 1.00 . A A . 43 GLU N 1 1 14 10774 1 1 41 GLU O O -0.702 -11.350 -4.240 1.00 . A A . 43 GLU O 1 1 14 10775 1 1 41 GLU OE1 O 0.479 -12.144 0.563 1.00 . A A . 43 GLU OE1 1 1 14 10776 1 1 41 GLU OE2 O 0.164 -10.449 1.854 1.00 . A A . 43 GLU OE2 1 1 14 10777 1 1 42 SER C C 0.362 -9.700 -7.338 1.00 . A A . 44 SER C 1 1 14 10778 1 1 42 SER CA C -0.535 -9.431 -6.127 1.00 . A A . 44 SER CA 1 1 14 10779 1 1 42 SER CB C -1.167 -8.045 -6.261 1.00 . A A . 44 SER CB 1 1 14 10780 1 1 42 SER H H 0.939 -8.792 -4.698 1.00 . A A . 44 SER H 1 1 14 10781 1 1 42 SER HA H -1.313 -10.179 -6.083 1.00 . A A . 44 SER HA 1 1 14 10782 1 1 42 SER HB2 H -0.918 -7.448 -5.400 1.00 . A A . 44 SER HB2 1 1 14 10783 1 1 42 SER HB3 H -0.788 -7.564 -7.153 1.00 . A A . 44 SER HB3 1 1 14 10784 1 1 42 SER HG H -2.774 -8.905 -6.943 1.00 . A A . 44 SER HG 1 1 14 10785 1 1 42 SER N N 0.279 -9.490 -4.881 1.00 . A A . 44 SER N 1 1 14 10786 1 1 42 SER O O 0.042 -9.335 -8.449 1.00 . A A . 44 SER O 1 1 14 10787 1 1 42 SER OG O -2.581 -8.180 -6.345 1.00 . A A . 44 SER OG 1 1 14 10788 1 1 43 ASN C C 3.147 -9.394 -8.679 1.00 . A A . 45 ASN C 1 1 14 10789 1 1 43 ASN CA C 2.396 -10.656 -8.247 1.00 . A A . 45 ASN CA 1 1 14 10790 1 1 43 ASN CB C 1.575 -11.192 -9.408 1.00 . A A . 45 ASN CB 1 1 14 10791 1 1 43 ASN CG C 0.522 -12.168 -8.880 1.00 . A A . 45 ASN CG 1 1 14 10792 1 1 43 ASN H H 1.706 -10.632 -6.230 1.00 . A A . 45 ASN H 1 1 14 10793 1 1 43 ASN HA H 3.104 -11.408 -7.933 1.00 . A A . 45 ASN HA 1 1 14 10794 1 1 43 ASN HB2 H 1.088 -10.370 -9.899 1.00 . A A . 45 ASN HB2 1 1 14 10795 1 1 43 ASN HB3 H 2.222 -11.701 -10.104 1.00 . A A . 45 ASN HB3 1 1 14 10796 1 1 43 ASN HD21 H 1.744 -13.733 -8.913 1.00 . A A . 45 ASN HD21 1 1 14 10797 1 1 43 ASN HD22 H 0.169 -14.053 -8.365 1.00 . A A . 45 ASN HD22 1 1 14 10798 1 1 43 ASN N N 1.478 -10.345 -7.125 1.00 . A A . 45 ASN N 1 1 14 10799 1 1 43 ASN ND2 N 0.838 -13.423 -8.706 1.00 . A A . 45 ASN ND2 1 1 14 10800 1 1 43 ASN O O 3.815 -9.377 -9.693 1.00 . A A . 45 ASN O 1 1 14 10801 1 1 43 ASN OD1 O -0.601 -11.784 -8.619 1.00 . A A . 45 ASN OD1 1 1 14 10802 1 1 44 GLY C C 2.954 -6.321 -9.342 1.00 . A A . 46 GLY C 1 1 14 10803 1 1 44 GLY CA C 3.763 -7.084 -8.293 1.00 . A A . 46 GLY CA 1 1 14 10804 1 1 44 GLY H H 2.505 -8.370 -7.103 1.00 . A A . 46 GLY H 1 1 14 10805 1 1 44 GLY HA2 H 3.889 -6.467 -7.414 1.00 . A A . 46 GLY HA2 1 1 14 10806 1 1 44 GLY HA3 H 4.731 -7.332 -8.701 1.00 . A A . 46 GLY HA3 1 1 14 10807 1 1 44 GLY N N 3.048 -8.338 -7.919 1.00 . A A . 46 GLY N 1 1 14 10808 1 1 44 GLY O O 3.380 -5.299 -9.845 1.00 . A A . 46 GLY O 1 1 14 10809 1 1 45 THR C C 0.039 -5.098 -9.994 1.00 . A A . 47 THR C 1 1 14 10810 1 1 45 THR CA C 0.956 -6.106 -10.693 1.00 . A A . 47 THR CA 1 1 14 10811 1 1 45 THR CB C 0.106 -7.133 -11.446 1.00 . A A . 47 THR CB 1 1 14 10812 1 1 45 THR CG2 C 0.605 -7.248 -12.887 1.00 . A A . 47 THR CG2 1 1 14 10813 1 1 45 THR H H 1.463 -7.631 -9.261 1.00 . A A . 47 THR H 1 1 14 10814 1 1 45 THR HA H 1.595 -5.587 -11.391 1.00 . A A . 47 THR HA 1 1 14 10815 1 1 45 THR HB H -0.925 -6.815 -11.450 1.00 . A A . 47 THR HB 1 1 14 10816 1 1 45 THR HG1 H -0.546 -8.925 -11.061 1.00 . A A . 47 THR HG1 1 1 14 10817 1 1 45 THR HG21 H 0.036 -6.581 -13.519 1.00 . A A . 47 THR HG21 1 1 14 10818 1 1 45 THR HG22 H 0.479 -8.264 -13.231 1.00 . A A . 47 THR HG22 1 1 14 10819 1 1 45 THR HG23 H 1.650 -6.979 -12.929 1.00 . A A . 47 THR HG23 1 1 14 10820 1 1 45 THR N N 1.790 -6.807 -9.678 1.00 . A A . 47 THR N 1 1 14 10821 1 1 45 THR O O -0.633 -4.312 -10.630 1.00 . A A . 47 THR O 1 1 14 10822 1 1 45 THR OG1 O 0.212 -8.396 -10.804 1.00 . A A . 47 THR OG1 1 1 14 10823 1 1 46 LEU C C -0.072 -2.885 -7.640 1.00 . A A . 48 LEU C 1 1 14 10824 1 1 46 LEU CA C -0.861 -4.160 -7.948 1.00 . A A . 48 LEU CA 1 1 14 10825 1 1 46 LEU CB C -1.325 -4.801 -6.639 1.00 . A A . 48 LEU CB 1 1 14 10826 1 1 46 LEU CD1 C -3.548 -4.669 -5.509 1.00 . A A . 48 LEU CD1 1 1 14 10827 1 1 46 LEU CD2 C -1.648 -3.266 -4.697 1.00 . A A . 48 LEU CD2 1 1 14 10828 1 1 46 LEU CG C -2.315 -3.872 -5.935 1.00 . A A . 48 LEU CG 1 1 14 10829 1 1 46 LEU H H 0.561 -5.758 -8.193 1.00 . A A . 48 LEU H 1 1 14 10830 1 1 46 LEU HA H -1.722 -3.910 -8.552 1.00 . A A . 48 LEU HA 1 1 14 10831 1 1 46 LEU HB2 H -1.806 -5.744 -6.853 1.00 . A A . 48 LEU HB2 1 1 14 10832 1 1 46 LEU HB3 H -0.472 -4.969 -5.998 1.00 . A A . 48 LEU HB3 1 1 14 10833 1 1 46 LEU HD11 H -3.237 -5.598 -5.054 1.00 . A A . 48 LEU HD11 1 1 14 10834 1 1 46 LEU HD12 H -4.159 -4.878 -6.374 1.00 . A A . 48 LEU HD12 1 1 14 10835 1 1 46 LEU HD13 H -4.120 -4.094 -4.795 1.00 . A A . 48 LEU HD13 1 1 14 10836 1 1 46 LEU HD21 H -0.607 -3.067 -4.908 1.00 . A A . 48 LEU HD21 1 1 14 10837 1 1 46 LEU HD22 H -1.720 -3.960 -3.872 1.00 . A A . 48 LEU HD22 1 1 14 10838 1 1 46 LEU HD23 H -2.145 -2.343 -4.436 1.00 . A A . 48 LEU HD23 1 1 14 10839 1 1 46 LEU HG H -2.610 -3.082 -6.610 1.00 . A A . 48 LEU HG 1 1 14 10840 1 1 46 LEU N N 0.010 -5.116 -8.689 1.00 . A A . 48 LEU N 1 1 14 10841 1 1 46 LEU O O 1.016 -2.928 -7.101 1.00 . A A . 48 LEU O 1 1 14 10842 1 1 47 THR C C -0.833 0.451 -6.905 1.00 . A A . 49 THR C 1 1 14 10843 1 1 47 THR CA C 0.085 -0.465 -7.709 1.00 . A A . 49 THR CA 1 1 14 10844 1 1 47 THR CB C 0.450 0.202 -9.038 1.00 . A A . 49 THR CB 1 1 14 10845 1 1 47 THR CG2 C 1.201 -0.794 -9.924 1.00 . A A . 49 THR CG2 1 1 14 10846 1 1 47 THR H H -1.500 -1.744 -8.409 1.00 . A A . 49 THR H 1 1 14 10847 1 1 47 THR HA H 0.983 -0.650 -7.144 1.00 . A A . 49 THR HA 1 1 14 10848 1 1 47 THR HB H 1.080 1.056 -8.850 1.00 . A A . 49 THR HB 1 1 14 10849 1 1 47 THR HG1 H -0.512 0.828 -10.607 1.00 . A A . 49 THR HG1 1 1 14 10850 1 1 47 THR HG21 H 0.609 -1.012 -10.800 1.00 . A A . 49 THR HG21 1 1 14 10851 1 1 47 THR HG22 H 1.379 -1.704 -9.373 1.00 . A A . 49 THR HG22 1 1 14 10852 1 1 47 THR HG23 H 2.145 -0.364 -10.227 1.00 . A A . 49 THR HG23 1 1 14 10853 1 1 47 THR N N -0.619 -1.751 -7.978 1.00 . A A . 49 THR N 1 1 14 10854 1 1 47 THR O O -1.627 0.003 -6.104 1.00 . A A . 49 THR O 1 1 14 10855 1 1 47 THR OG1 O -0.735 0.622 -9.696 1.00 . A A . 49 THR OG1 1 1 14 10856 1 1 48 LEU C C -2.560 3.358 -7.350 1.00 . A A . 50 LEU C 1 1 14 10857 1 1 48 LEU CA C -1.587 2.693 -6.374 1.00 . A A . 50 LEU CA 1 1 14 10858 1 1 48 LEU CB C -0.718 3.772 -5.721 1.00 . A A . 50 LEU CB 1 1 14 10859 1 1 48 LEU CD1 C -2.319 3.776 -3.799 1.00 . A A . 50 LEU CD1 1 1 14 10860 1 1 48 LEU CD2 C -0.695 5.652 -4.081 1.00 . A A . 50 LEU CD2 1 1 14 10861 1 1 48 LEU CG C -1.586 4.651 -4.819 1.00 . A A . 50 LEU CG 1 1 14 10862 1 1 48 LEU H H -0.074 2.056 -7.762 1.00 . A A . 50 LEU H 1 1 14 10863 1 1 48 LEU HA H -2.141 2.167 -5.613 1.00 . A A . 50 LEU HA 1 1 14 10864 1 1 48 LEU HB2 H 0.055 3.304 -5.130 1.00 . A A . 50 LEU HB2 1 1 14 10865 1 1 48 LEU HB3 H -0.268 4.383 -6.487 1.00 . A A . 50 LEU HB3 1 1 14 10866 1 1 48 LEU HD11 H -1.894 2.782 -3.804 1.00 . A A . 50 LEU HD11 1 1 14 10867 1 1 48 LEU HD12 H -3.366 3.721 -4.058 1.00 . A A . 50 LEU HD12 1 1 14 10868 1 1 48 LEU HD13 H -2.214 4.207 -2.815 1.00 . A A . 50 LEU HD13 1 1 14 10869 1 1 48 LEU HD21 H -0.814 5.523 -3.017 1.00 . A A . 50 LEU HD21 1 1 14 10870 1 1 48 LEU HD22 H -0.979 6.657 -4.357 1.00 . A A . 50 LEU HD22 1 1 14 10871 1 1 48 LEU HD23 H 0.337 5.483 -4.351 1.00 . A A . 50 LEU HD23 1 1 14 10872 1 1 48 LEU HG H -2.305 5.184 -5.422 1.00 . A A . 50 LEU HG 1 1 14 10873 1 1 48 LEU N N -0.724 1.730 -7.115 1.00 . A A . 50 LEU N 1 1 14 10874 1 1 48 LEU O O -2.392 3.296 -8.551 1.00 . A A . 50 LEU O 1 1 14 10875 1 1 49 SER C C -4.785 6.105 -7.237 1.00 . A A . 51 SER C 1 1 14 10876 1 1 49 SER CA C -4.559 4.674 -7.730 1.00 . A A . 51 SER CA 1 1 14 10877 1 1 49 SER CB C -5.882 3.901 -7.708 1.00 . A A . 51 SER CB 1 1 14 10878 1 1 49 SER H H -3.686 4.034 -5.869 1.00 . A A . 51 SER H 1 1 14 10879 1 1 49 SER HA H -4.173 4.697 -8.739 1.00 . A A . 51 SER HA 1 1 14 10880 1 1 49 SER HB2 H -6.199 3.700 -8.718 1.00 . A A . 51 SER HB2 1 1 14 10881 1 1 49 SER HB3 H -5.737 2.965 -7.189 1.00 . A A . 51 SER HB3 1 1 14 10882 1 1 49 SER HG H -7.346 5.182 -7.719 1.00 . A A . 51 SER HG 1 1 14 10883 1 1 49 SER N N -3.574 3.997 -6.839 1.00 . A A . 51 SER N 1 1 14 10884 1 1 49 SER O O -5.045 7.004 -8.012 1.00 . A A . 51 SER O 1 1 14 10885 1 1 49 SER OG O -6.879 4.675 -7.052 1.00 . A A . 51 SER OG 1 1 14 10886 1 1 50 HIS C C -4.790 7.646 -3.886 1.00 . A A . 52 HIS C 1 1 14 10887 1 1 50 HIS CA C -4.900 7.693 -5.417 1.00 . A A . 52 HIS CA 1 1 14 10888 1 1 50 HIS CB C -6.284 8.208 -5.879 1.00 . A A . 52 HIS CB 1 1 14 10889 1 1 50 HIS CD2 C -7.276 9.793 -4.023 1.00 . A A . 52 HIS CD2 1 1 14 10890 1 1 50 HIS CE1 C -8.640 8.383 -3.103 1.00 . A A . 52 HIS CE1 1 1 14 10891 1 1 50 HIS CG C -7.148 8.609 -4.708 1.00 . A A . 52 HIS CG 1 1 14 10892 1 1 50 HIS H H -4.482 5.590 -5.342 1.00 . A A . 52 HIS H 1 1 14 10893 1 1 50 HIS HA H -4.131 8.343 -5.804 1.00 . A A . 52 HIS HA 1 1 14 10894 1 1 50 HIS HB2 H -6.145 9.062 -6.523 1.00 . A A . 52 HIS HB2 1 1 14 10895 1 1 50 HIS HB3 H -6.783 7.426 -6.434 1.00 . A A . 52 HIS HB3 1 1 14 10896 1 1 50 HIS HD1 H -8.177 6.790 -4.362 1.00 . A A . 52 HIS HD1 1 1 14 10897 1 1 50 HIS HD2 H -6.729 10.698 -4.238 1.00 . A A . 52 HIS HD2 1 1 14 10898 1 1 50 HIS HE1 H -9.383 7.942 -2.454 1.00 . A A . 52 HIS HE1 1 1 14 10899 1 1 50 HIS N N -4.691 6.325 -5.953 1.00 . A A . 52 HIS N 1 1 14 10900 1 1 50 HIS ND1 N -8.027 7.726 -4.104 1.00 . A A . 52 HIS ND1 1 1 14 10901 1 1 50 HIS NE2 N -8.218 9.647 -3.008 1.00 . A A . 52 HIS NE2 1 1 14 10902 1 1 50 HIS O O -5.667 7.152 -3.205 1.00 . A A . 52 HIS O 1 1 14 10903 1 1 51 PHE C C -4.849 8.524 -1.199 1.00 . A A . 53 PHE C 1 1 14 10904 1 1 51 PHE CA C -3.532 8.144 -1.878 1.00 . A A . 53 PHE CA 1 1 14 10905 1 1 51 PHE CB C -2.453 9.158 -1.505 1.00 . A A . 53 PHE CB 1 1 14 10906 1 1 51 PHE CD1 C -0.579 8.813 -3.153 1.00 . A A . 53 PHE CD1 1 1 14 10907 1 1 51 PHE CD2 C -0.346 7.905 -0.917 1.00 . A A . 53 PHE CD2 1 1 14 10908 1 1 51 PHE CE1 C 0.683 8.310 -3.488 1.00 . A A . 53 PHE CE1 1 1 14 10909 1 1 51 PHE CE2 C 0.917 7.402 -1.253 1.00 . A A . 53 PHE CE2 1 1 14 10910 1 1 51 PHE CG C -1.095 8.610 -1.867 1.00 . A A . 53 PHE CG 1 1 14 10911 1 1 51 PHE CZ C 1.431 7.605 -2.539 1.00 . A A . 53 PHE CZ 1 1 14 10912 1 1 51 PHE H H -3.024 8.538 -3.924 1.00 . A A . 53 PHE H 1 1 14 10913 1 1 51 PHE HA H -3.231 7.158 -1.556 1.00 . A A . 53 PHE HA 1 1 14 10914 1 1 51 PHE HB2 H -2.625 10.080 -2.039 1.00 . A A . 53 PHE HB2 1 1 14 10915 1 1 51 PHE HB3 H -2.493 9.344 -0.446 1.00 . A A . 53 PHE HB3 1 1 14 10916 1 1 51 PHE HD1 H -1.156 9.357 -3.886 1.00 . A A . 53 PHE HD1 1 1 14 10917 1 1 51 PHE HD2 H -0.744 7.748 0.075 1.00 . A A . 53 PHE HD2 1 1 14 10918 1 1 51 PHE HE1 H 1.081 8.466 -4.481 1.00 . A A . 53 PHE HE1 1 1 14 10919 1 1 51 PHE HE2 H 1.494 6.858 -0.519 1.00 . A A . 53 PHE HE2 1 1 14 10920 1 1 51 PHE HZ H 2.406 7.218 -2.798 1.00 . A A . 53 PHE HZ 1 1 14 10921 1 1 51 PHE N N -3.715 8.152 -3.352 1.00 . A A . 53 PHE N 1 1 14 10922 1 1 51 PHE O O -5.315 9.640 -1.307 1.00 . A A . 53 PHE O 1 1 14 10923 1 1 52 GLY C C -7.739 6.789 -0.098 1.00 . A A . 54 GLY C 1 1 14 10924 1 1 52 GLY CA C -6.737 7.908 0.187 1.00 . A A . 54 GLY CA 1 1 14 10925 1 1 52 GLY H H -5.058 6.709 -0.427 1.00 . A A . 54 GLY H 1 1 14 10926 1 1 52 GLY HA2 H -6.570 7.980 1.252 1.00 . A A . 54 GLY HA2 1 1 14 10927 1 1 52 GLY HA3 H -7.132 8.844 -0.182 1.00 . A A . 54 GLY HA3 1 1 14 10928 1 1 52 GLY N N -5.451 7.602 -0.500 1.00 . A A . 54 GLY N 1 1 14 10929 1 1 52 GLY O O -7.545 5.977 -0.981 1.00 . A A . 54 GLY O 1 1 14 10930 1 1 53 LYS C C -10.661 6.027 -0.819 1.00 . A A . 55 LYS C 1 1 14 10931 1 1 53 LYS CA C -9.824 5.671 0.412 1.00 . A A . 55 LYS CA 1 1 14 10932 1 1 53 LYS CB C -10.733 5.557 1.636 1.00 . A A . 55 LYS CB 1 1 14 10933 1 1 53 LYS CD C -13.130 4.943 1.994 1.00 . A A . 55 LYS CD 1 1 14 10934 1 1 53 LYS CE C -14.084 5.384 0.881 1.00 . A A . 55 LYS CE 1 1 14 10935 1 1 53 LYS CG C -11.802 4.492 1.384 1.00 . A A . 55 LYS CG 1 1 14 10936 1 1 53 LYS H H -8.952 7.403 1.349 1.00 . A A . 55 LYS H 1 1 14 10937 1 1 53 LYS HA H -9.320 4.729 0.244 1.00 . A A . 55 LYS HA 1 1 14 10938 1 1 53 LYS HB2 H -10.143 5.278 2.499 1.00 . A A . 55 LYS HB2 1 1 14 10939 1 1 53 LYS HB3 H -11.212 6.508 1.821 1.00 . A A . 55 LYS HB3 1 1 14 10940 1 1 53 LYS HD2 H -13.571 4.124 2.543 1.00 . A A . 55 LYS HD2 1 1 14 10941 1 1 53 LYS HD3 H -12.956 5.772 2.665 1.00 . A A . 55 LYS HD3 1 1 14 10942 1 1 53 LYS HE2 H -14.654 6.240 1.215 1.00 . A A . 55 LYS HE2 1 1 14 10943 1 1 53 LYS HE3 H -13.515 5.651 0.003 1.00 . A A . 55 LYS HE3 1 1 14 10944 1 1 53 LYS HG2 H -11.923 4.351 0.319 1.00 . A A . 55 LYS HG2 1 1 14 10945 1 1 53 LYS HG3 H -11.498 3.560 1.837 1.00 . A A . 55 LYS HG3 1 1 14 10946 1 1 53 LYS HZ1 H -15.130 3.654 1.383 1.00 . A A . 55 LYS HZ1 1 1 14 10947 1 1 53 LYS HZ2 H -14.622 3.713 -0.238 1.00 . A A . 55 LYS HZ2 1 1 14 10948 1 1 53 LYS HZ3 H -15.939 4.656 0.277 1.00 . A A . 55 LYS HZ3 1 1 14 10949 1 1 53 LYS N N -8.812 6.739 0.642 1.00 . A A . 55 LYS N 1 1 14 10950 1 1 53 LYS NZ N -15.014 4.268 0.550 1.00 . A A . 55 LYS NZ 1 1 14 10951 1 1 53 LYS O O -11.031 7.166 -1.021 1.00 . A A . 55 LYS O 1 1 14 10952 1 1 54 CYS C C -13.261 5.193 -2.527 1.00 . A A . 56 CYS C 1 1 14 10953 1 1 54 CYS CA C -11.776 5.352 -2.858 1.00 . A A . 56 CYS CA 1 1 14 10954 1 1 54 CYS CB C -11.393 4.378 -3.974 1.00 . A A . 56 CYS CB 1 1 14 10955 1 1 54 CYS H H -10.657 4.148 -1.466 1.00 . A A . 56 CYS H 1 1 14 10956 1 1 54 CYS HA H -11.587 6.365 -3.185 1.00 . A A . 56 CYS HA 1 1 14 10957 1 1 54 CYS HB2 H -11.087 3.437 -3.541 1.00 . A A . 56 CYS HB2 1 1 14 10958 1 1 54 CYS HB3 H -12.245 4.219 -4.620 1.00 . A A . 56 CYS HB3 1 1 14 10959 1 1 54 CYS N N -10.964 5.061 -1.644 1.00 . A A . 56 CYS N 1 1 14 10960 1 1 54 CYS O O -13.851 6.155 -2.062 1.00 . A A . 56 CYS O 1 1 14 10961 1 1 54 CYS OXT O -13.784 4.112 -2.744 1.00 . A A . 56 CYS OXT 1 1 14 10962 1 1 54 CYS SG S -10.027 5.072 -4.937 1.00 . A A . 56 CYS SG 1 1 15 10963 1 1 1 ALA C C 7.675 8.803 -8.939 1.00 . A A . 3 ALA C 1 1 15 10964 1 1 1 ALA CA C 8.518 8.613 -10.201 1.00 . A A . 3 ALA CA 1 1 15 10965 1 1 1 ALA CB C 9.556 7.514 -9.961 1.00 . A A . 3 ALA CB 1 1 15 10966 1 1 1 ALA H1 H 9.096 10.093 -11.549 1.00 . A A . 3 ALA H1 1 1 15 10967 1 1 1 ALA H2 H 10.226 9.800 -10.315 1.00 . A A . 3 ALA H2 1 1 15 10968 1 1 1 ALA H3 H 8.802 10.665 -9.979 1.00 . A A . 3 ALA H3 1 1 15 10969 1 1 1 ALA HA H 7.877 8.327 -11.023 1.00 . A A . 3 ALA HA 1 1 15 10970 1 1 1 ALA HB1 H 9.053 6.566 -9.837 1.00 . A A . 3 ALA HB1 1 1 15 10971 1 1 1 ALA HB2 H 10.121 7.741 -9.068 1.00 . A A . 3 ALA HB2 1 1 15 10972 1 1 1 ALA HB3 H 10.226 7.459 -10.806 1.00 . A A . 3 ALA HB3 1 1 15 10973 1 1 1 ALA N N 9.213 9.889 -10.537 1.00 . A A . 3 ALA N 1 1 15 10974 1 1 1 ALA O O 8.091 9.443 -7.993 1.00 . A A . 3 ALA O 1 1 15 10975 1 1 2 VAL C C 5.426 7.010 -7.070 1.00 . A A . 4 VAL C 1 1 15 10976 1 1 2 VAL CA C 5.622 8.396 -7.715 1.00 . A A . 4 VAL CA 1 1 15 10977 1 1 2 VAL CB C 4.284 9.018 -8.145 1.00 . A A . 4 VAL CB 1 1 15 10978 1 1 2 VAL CG1 C 3.478 8.011 -8.969 1.00 . A A . 4 VAL CG1 1 1 15 10979 1 1 2 VAL CG2 C 3.485 9.446 -6.909 1.00 . A A . 4 VAL CG2 1 1 15 10980 1 1 2 VAL H H 6.176 7.739 -9.690 1.00 . A A . 4 VAL H 1 1 15 10981 1 1 2 VAL HA H 6.108 9.050 -7.005 1.00 . A A . 4 VAL HA 1 1 15 10982 1 1 2 VAL HB H 4.482 9.887 -8.754 1.00 . A A . 4 VAL HB 1 1 15 10983 1 1 2 VAL HG11 H 4.060 7.116 -9.114 1.00 . A A . 4 VAL HG11 1 1 15 10984 1 1 2 VAL HG12 H 3.238 8.444 -9.931 1.00 . A A . 4 VAL HG12 1 1 15 10985 1 1 2 VAL HG13 H 2.564 7.768 -8.447 1.00 . A A . 4 VAL HG13 1 1 15 10986 1 1 2 VAL HG21 H 3.328 10.514 -6.932 1.00 . A A . 4 VAL HG21 1 1 15 10987 1 1 2 VAL HG22 H 4.034 9.182 -6.017 1.00 . A A . 4 VAL HG22 1 1 15 10988 1 1 2 VAL HG23 H 2.531 8.941 -6.906 1.00 . A A . 4 VAL HG23 1 1 15 10989 1 1 2 VAL N N 6.492 8.252 -8.916 1.00 . A A . 4 VAL N 1 1 15 10990 1 1 2 VAL O O 6.379 6.278 -6.891 1.00 . A A . 4 VAL O 1 1 15 10991 1 1 3 SER C C 4.487 5.352 -4.619 1.00 . A A . 5 SER C 1 1 15 10992 1 1 3 SER CA C 4.017 5.299 -6.076 1.00 . A A . 5 SER CA 1 1 15 10993 1 1 3 SER CB C 4.810 4.239 -6.849 1.00 . A A . 5 SER CB 1 1 15 10994 1 1 3 SER H H 3.459 7.222 -6.844 1.00 . A A . 5 SER H 1 1 15 10995 1 1 3 SER HA H 2.967 5.050 -6.105 1.00 . A A . 5 SER HA 1 1 15 10996 1 1 3 SER HB2 H 4.141 3.468 -7.191 1.00 . A A . 5 SER HB2 1 1 15 10997 1 1 3 SER HB3 H 5.288 4.699 -7.704 1.00 . A A . 5 SER HB3 1 1 15 10998 1 1 3 SER HG H 6.379 4.356 -5.701 1.00 . A A . 5 SER HG 1 1 15 10999 1 1 3 SER N N 4.222 6.634 -6.709 1.00 . A A . 5 SER N 1 1 15 11000 1 1 3 SER O O 5.204 6.248 -4.220 1.00 . A A . 5 SER O 1 1 15 11001 1 1 3 SER OG O 5.792 3.658 -5.997 1.00 . A A . 5 SER OG 1 1 15 11002 1 1 4 VAL C C 5.884 3.745 -2.263 1.00 . A A . 6 VAL C 1 1 15 11003 1 1 4 VAL CA C 4.508 4.401 -2.390 1.00 . A A . 6 VAL CA 1 1 15 11004 1 1 4 VAL CB C 3.494 3.611 -1.561 1.00 . A A . 6 VAL CB 1 1 15 11005 1 1 4 VAL CG1 C 3.563 4.058 -0.098 1.00 . A A . 6 VAL CG1 1 1 15 11006 1 1 4 VAL CG2 C 2.088 3.873 -2.102 1.00 . A A . 6 VAL CG2 1 1 15 11007 1 1 4 VAL H H 3.506 3.688 -4.159 1.00 . A A . 6 VAL H 1 1 15 11008 1 1 4 VAL HA H 4.558 5.417 -2.027 1.00 . A A . 6 VAL HA 1 1 15 11009 1 1 4 VAL HB H 3.718 2.556 -1.627 1.00 . A A . 6 VAL HB 1 1 15 11010 1 1 4 VAL HG11 H 2.707 3.670 0.437 1.00 . A A . 6 VAL HG11 1 1 15 11011 1 1 4 VAL HG12 H 3.558 5.136 -0.051 1.00 . A A . 6 VAL HG12 1 1 15 11012 1 1 4 VAL HG13 H 4.469 3.680 0.352 1.00 . A A . 6 VAL HG13 1 1 15 11013 1 1 4 VAL HG21 H 1.373 3.808 -1.295 1.00 . A A . 6 VAL HG21 1 1 15 11014 1 1 4 VAL HG22 H 1.848 3.138 -2.853 1.00 . A A . 6 VAL HG22 1 1 15 11015 1 1 4 VAL HG23 H 2.049 4.859 -2.539 1.00 . A A . 6 VAL HG23 1 1 15 11016 1 1 4 VAL N N 4.085 4.401 -3.820 1.00 . A A . 6 VAL N 1 1 15 11017 1 1 4 VAL O O 6.321 3.025 -3.139 1.00 . A A . 6 VAL O 1 1 15 11018 1 1 5 ASP C C 7.739 1.904 -0.588 1.00 . A A . 7 ASP C 1 1 15 11019 1 1 5 ASP CA C 7.910 3.369 -0.998 1.00 . A A . 7 ASP CA 1 1 15 11020 1 1 5 ASP CB C 8.673 4.124 0.095 1.00 . A A . 7 ASP CB 1 1 15 11021 1 1 5 ASP CG C 9.887 3.305 0.537 1.00 . A A . 7 ASP CG 1 1 15 11022 1 1 5 ASP H H 6.196 4.564 -0.483 1.00 . A A . 7 ASP H 1 1 15 11023 1 1 5 ASP HA H 8.460 3.422 -1.925 1.00 . A A . 7 ASP HA 1 1 15 11024 1 1 5 ASP HB2 H 9.004 5.075 -0.292 1.00 . A A . 7 ASP HB2 1 1 15 11025 1 1 5 ASP HB3 H 8.023 4.286 0.943 1.00 . A A . 7 ASP HB3 1 1 15 11026 1 1 5 ASP N N 6.567 3.984 -1.179 1.00 . A A . 7 ASP N 1 1 15 11027 1 1 5 ASP O O 6.983 1.586 0.308 1.00 . A A . 7 ASP O 1 1 15 11028 1 1 5 ASP OD1 O 10.350 2.496 -0.249 1.00 . A A . 7 ASP OD1 1 1 15 11029 1 1 5 ASP OD2 O 10.334 3.501 1.656 1.00 . A A . 7 ASP OD2 1 1 15 11030 1 1 6 CYS C C 9.690 -0.972 -0.499 1.00 . A A . 8 CYS C 1 1 15 11031 1 1 6 CYS CA C 8.316 -0.428 -0.879 1.00 . A A . 8 CYS CA 1 1 15 11032 1 1 6 CYS CB C 7.773 -1.208 -2.078 1.00 . A A . 8 CYS CB 1 1 15 11033 1 1 6 CYS H H 9.042 1.293 -1.952 1.00 . A A . 8 CYS H 1 1 15 11034 1 1 6 CYS HA H 7.640 -0.540 -0.043 1.00 . A A . 8 CYS HA 1 1 15 11035 1 1 6 CYS HB2 H 8.392 -1.016 -2.943 1.00 . A A . 8 CYS HB2 1 1 15 11036 1 1 6 CYS HB3 H 7.787 -2.264 -1.854 1.00 . A A . 8 CYS HB3 1 1 15 11037 1 1 6 CYS N N 8.437 1.013 -1.234 1.00 . A A . 8 CYS N 1 1 15 11038 1 1 6 CYS O O 10.199 -1.865 -1.137 1.00 . A A . 8 CYS O 1 1 15 11039 1 1 6 CYS SG S 6.075 -0.687 -2.425 1.00 . A A . 8 CYS SG 1 1 15 11040 1 1 7 SER C C 11.704 -2.434 0.984 1.00 . A A . 9 SER C 1 1 15 11041 1 1 7 SER CA C 11.630 -0.902 0.987 1.00 . A A . 9 SER CA 1 1 15 11042 1 1 7 SER CB C 11.894 -0.391 2.402 1.00 . A A . 9 SER CB 1 1 15 11043 1 1 7 SER H H 9.838 0.290 1.025 1.00 . A A . 9 SER H 1 1 15 11044 1 1 7 SER HA H 12.384 -0.507 0.321 1.00 . A A . 9 SER HA 1 1 15 11045 1 1 7 SER HB2 H 11.591 0.641 2.477 1.00 . A A . 9 SER HB2 1 1 15 11046 1 1 7 SER HB3 H 11.324 -0.981 3.108 1.00 . A A . 9 SER HB3 1 1 15 11047 1 1 7 SER HG H 13.565 0.331 3.088 1.00 . A A . 9 SER HG 1 1 15 11048 1 1 7 SER N N 10.283 -0.433 0.537 1.00 . A A . 9 SER N 1 1 15 11049 1 1 7 SER O O 11.501 -3.084 1.991 1.00 . A A . 9 SER O 1 1 15 11050 1 1 7 SER OG O 13.283 -0.494 2.688 1.00 . A A . 9 SER OG 1 1 15 11051 1 1 8 GLU C C 11.019 -5.174 0.541 1.00 . A A . 10 GLU C 1 1 15 11052 1 1 8 GLU CA C 12.122 -4.491 -0.265 1.00 . A A . 10 GLU CA 1 1 15 11053 1 1 8 GLU CB C 13.490 -4.953 0.249 1.00 . A A . 10 GLU CB 1 1 15 11054 1 1 8 GLU CD C 15.478 -4.313 1.617 1.00 . A A . 10 GLU CD 1 1 15 11055 1 1 8 GLU CG C 14.028 -3.960 1.281 1.00 . A A . 10 GLU CG 1 1 15 11056 1 1 8 GLU H H 12.161 -2.445 -0.927 1.00 . A A . 10 GLU H 1 1 15 11057 1 1 8 GLU HA H 12.023 -4.770 -1.305 1.00 . A A . 10 GLU HA 1 1 15 11058 1 1 8 GLU HB2 H 13.388 -5.927 0.707 1.00 . A A . 10 GLU HB2 1 1 15 11059 1 1 8 GLU HB3 H 14.180 -5.018 -0.578 1.00 . A A . 10 GLU HB3 1 1 15 11060 1 1 8 GLU HG2 H 13.984 -2.959 0.874 1.00 . A A . 10 GLU HG2 1 1 15 11061 1 1 8 GLU HG3 H 13.430 -4.012 2.179 1.00 . A A . 10 GLU HG3 1 1 15 11062 1 1 8 GLU N N 12.007 -3.004 -0.147 1.00 . A A . 10 GLU N 1 1 15 11063 1 1 8 GLU O O 11.212 -5.558 1.674 1.00 . A A . 10 GLU O 1 1 15 11064 1 1 8 GLU OE1 O 15.763 -5.490 1.751 1.00 . A A . 10 GLU OE1 1 1 15 11065 1 1 8 GLU OE2 O 16.277 -3.399 1.731 1.00 . A A . 10 GLU OE2 1 1 15 11066 1 1 9 TYR C C 8.705 -7.476 0.357 1.00 . A A . 11 TYR C 1 1 15 11067 1 1 9 TYR CA C 8.739 -5.983 0.684 1.00 . A A . 11 TYR CA 1 1 15 11068 1 1 9 TYR CB C 7.444 -5.299 0.256 1.00 . A A . 11 TYR CB 1 1 15 11069 1 1 9 TYR CD1 C 8.145 -3.025 1.004 1.00 . A A . 11 TYR CD1 1 1 15 11070 1 1 9 TYR CD2 C 6.247 -4.061 2.097 1.00 . A A . 11 TYR CD2 1 1 15 11071 1 1 9 TYR CE1 C 8.013 -1.907 1.823 1.00 . A A . 11 TYR CE1 1 1 15 11072 1 1 9 TYR CE2 C 6.111 -2.937 2.922 1.00 . A A . 11 TYR CE2 1 1 15 11073 1 1 9 TYR CG C 7.266 -4.099 1.139 1.00 . A A . 11 TYR CG 1 1 15 11074 1 1 9 TYR CZ C 6.994 -1.859 2.784 1.00 . A A . 11 TYR CZ 1 1 15 11075 1 1 9 TYR H H 9.735 -5.009 -0.957 1.00 . A A . 11 TYR H 1 1 15 11076 1 1 9 TYR HA H 8.874 -5.854 1.748 1.00 . A A . 11 TYR HA 1 1 15 11077 1 1 9 TYR HB2 H 7.530 -4.983 -0.774 1.00 . A A . 11 TYR HB2 1 1 15 11078 1 1 9 TYR HB3 H 6.606 -5.966 0.360 1.00 . A A . 11 TYR HB3 1 1 15 11079 1 1 9 TYR HD1 H 8.930 -3.061 0.265 1.00 . A A . 11 TYR HD1 1 1 15 11080 1 1 9 TYR HD2 H 5.571 -4.894 2.199 1.00 . A A . 11 TYR HD2 1 1 15 11081 1 1 9 TYR HE1 H 8.698 -1.085 1.715 1.00 . A A . 11 TYR HE1 1 1 15 11082 1 1 9 TYR HE2 H 5.326 -2.902 3.664 1.00 . A A . 11 TYR HE2 1 1 15 11083 1 1 9 TYR HH H 7.735 -0.384 3.739 1.00 . A A . 11 TYR HH 1 1 15 11084 1 1 9 TYR N N 9.865 -5.328 -0.039 1.00 . A A . 11 TYR N 1 1 15 11085 1 1 9 TYR O O 9.429 -7.929 -0.508 1.00 . A A . 11 TYR O 1 1 15 11086 1 1 9 TYR OH O 6.861 -0.752 3.594 1.00 . A A . 11 TYR OH 1 1 15 11087 1 1 10 PRO C C 7.736 -7.442 3.439 1.00 . A A . 12 PRO C 1 1 15 11088 1 1 10 PRO CA C 6.988 -7.672 2.123 1.00 . A A . 12 PRO CA 1 1 15 11089 1 1 10 PRO CB C 5.941 -8.776 2.295 1.00 . A A . 12 PRO CB 1 1 15 11090 1 1 10 PRO CD C 7.759 -9.666 0.867 1.00 . A A . 12 PRO CD 1 1 15 11091 1 1 10 PRO CG C 6.587 -10.082 1.774 1.00 . A A . 12 PRO CG 1 1 15 11092 1 1 10 PRO HA H 6.506 -6.770 1.806 1.00 . A A . 12 PRO HA 1 1 15 11093 1 1 10 PRO HB2 H 5.680 -8.880 3.339 1.00 . A A . 12 PRO HB2 1 1 15 11094 1 1 10 PRO HB3 H 5.061 -8.550 1.712 1.00 . A A . 12 PRO HB3 1 1 15 11095 1 1 10 PRO HD2 H 8.668 -10.166 1.172 1.00 . A A . 12 PRO HD2 1 1 15 11096 1 1 10 PRO HD3 H 7.535 -9.883 -0.166 1.00 . A A . 12 PRO HD3 1 1 15 11097 1 1 10 PRO HG2 H 6.950 -10.672 2.604 1.00 . A A . 12 PRO HG2 1 1 15 11098 1 1 10 PRO HG3 H 5.870 -10.648 1.202 1.00 . A A . 12 PRO HG3 1 1 15 11099 1 1 10 PRO N N 7.878 -8.208 1.065 1.00 . A A . 12 PRO N 1 1 15 11100 1 1 10 PRO O O 8.813 -7.960 3.658 1.00 . A A . 12 PRO O 1 1 15 11101 1 1 11 LYS C C 6.723 -6.447 6.733 1.00 . A A . 13 LYS C 1 1 15 11102 1 1 11 LYS CA C 7.797 -6.402 5.639 1.00 . A A . 13 LYS CA 1 1 15 11103 1 1 11 LYS CB C 8.435 -5.008 5.642 1.00 . A A . 13 LYS CB 1 1 15 11104 1 1 11 LYS CD C 10.411 -5.505 4.108 1.00 . A A . 13 LYS CD 1 1 15 11105 1 1 11 LYS CE C 10.996 -5.959 5.454 1.00 . A A . 13 LYS CE 1 1 15 11106 1 1 11 LYS CG C 9.094 -4.721 4.286 1.00 . A A . 13 LYS CG 1 1 15 11107 1 1 11 LYS H H 6.280 -6.277 4.118 1.00 . A A . 13 LYS H 1 1 15 11108 1 1 11 LYS HA H 8.551 -7.147 5.827 1.00 . A A . 13 LYS HA 1 1 15 11109 1 1 11 LYS HB2 H 7.667 -4.270 5.826 1.00 . A A . 13 LYS HB2 1 1 15 11110 1 1 11 LYS HB3 H 9.176 -4.952 6.424 1.00 . A A . 13 LYS HB3 1 1 15 11111 1 1 11 LYS HD2 H 10.226 -6.370 3.492 1.00 . A A . 13 LYS HD2 1 1 15 11112 1 1 11 LYS HD3 H 11.131 -4.867 3.614 1.00 . A A . 13 LYS HD3 1 1 15 11113 1 1 11 LYS HE2 H 10.231 -6.449 6.036 1.00 . A A . 13 LYS HE2 1 1 15 11114 1 1 11 LYS HE3 H 11.808 -6.649 5.277 1.00 . A A . 13 LYS HE3 1 1 15 11115 1 1 11 LYS HG2 H 8.412 -5.003 3.498 1.00 . A A . 13 LYS HG2 1 1 15 11116 1 1 11 LYS HG3 H 9.299 -3.665 4.213 1.00 . A A . 13 LYS HG3 1 1 15 11117 1 1 11 LYS HZ1 H 12.507 -4.925 6.443 1.00 . A A . 13 LYS HZ1 1 1 15 11118 1 1 11 LYS HZ2 H 10.953 -4.651 7.071 1.00 . A A . 13 LYS HZ2 1 1 15 11119 1 1 11 LYS HZ3 H 11.419 -3.928 5.608 1.00 . A A . 13 LYS HZ3 1 1 15 11120 1 1 11 LYS N N 7.154 -6.670 4.321 1.00 . A A . 13 LYS N 1 1 15 11121 1 1 11 LYS NZ N 11.508 -4.776 6.201 1.00 . A A . 13 LYS NZ 1 1 15 11122 1 1 11 LYS O O 5.780 -5.682 6.696 1.00 . A A . 13 LYS O 1 1 15 11123 1 1 12 PRO C C 6.192 -6.412 9.859 1.00 . A A . 14 PRO C 1 1 15 11124 1 1 12 PRO CA C 5.948 -7.488 8.795 1.00 . A A . 14 PRO CA 1 1 15 11125 1 1 12 PRO CB C 6.268 -8.879 9.345 1.00 . A A . 14 PRO CB 1 1 15 11126 1 1 12 PRO CD C 8.039 -8.266 7.724 1.00 . A A . 14 PRO CD 1 1 15 11127 1 1 12 PRO CG C 7.717 -9.200 8.905 1.00 . A A . 14 PRO CG 1 1 15 11128 1 1 12 PRO HA H 4.931 -7.455 8.442 1.00 . A A . 14 PRO HA 1 1 15 11129 1 1 12 PRO HB2 H 6.196 -8.876 10.424 1.00 . A A . 14 PRO HB2 1 1 15 11130 1 1 12 PRO HB3 H 5.591 -9.609 8.928 1.00 . A A . 14 PRO HB3 1 1 15 11131 1 1 12 PRO HD2 H 8.960 -7.731 7.907 1.00 . A A . 14 PRO HD2 1 1 15 11132 1 1 12 PRO HD3 H 8.100 -8.825 6.803 1.00 . A A . 14 PRO HD3 1 1 15 11133 1 1 12 PRO HG2 H 8.401 -9.018 9.723 1.00 . A A . 14 PRO HG2 1 1 15 11134 1 1 12 PRO HG3 H 7.788 -10.228 8.585 1.00 . A A . 14 PRO HG3 1 1 15 11135 1 1 12 PRO N N 6.894 -7.334 7.679 1.00 . A A . 14 PRO N 1 1 15 11136 1 1 12 PRO O O 5.642 -6.462 10.940 1.00 . A A . 14 PRO O 1 1 15 11137 1 1 13 ALA C C 6.499 -3.110 10.185 1.00 . A A . 15 ALA C 1 1 15 11138 1 1 13 ALA CA C 7.288 -4.368 10.557 1.00 . A A . 15 ALA CA 1 1 15 11139 1 1 13 ALA CB C 8.784 -4.048 10.564 1.00 . A A . 15 ALA CB 1 1 15 11140 1 1 13 ALA H H 7.447 -5.416 8.684 1.00 . A A . 15 ALA H 1 1 15 11141 1 1 13 ALA HA H 6.987 -4.703 11.539 1.00 . A A . 15 ALA HA 1 1 15 11142 1 1 13 ALA HB1 H 9.281 -4.676 11.290 1.00 . A A . 15 ALA HB1 1 1 15 11143 1 1 13 ALA HB2 H 8.930 -3.011 10.825 1.00 . A A . 15 ALA HB2 1 1 15 11144 1 1 13 ALA HB3 H 9.197 -4.236 9.584 1.00 . A A . 15 ALA HB3 1 1 15 11145 1 1 13 ALA N N 7.012 -5.441 9.561 1.00 . A A . 15 ALA N 1 1 15 11146 1 1 13 ALA O O 6.997 -2.230 9.508 1.00 . A A . 15 ALA O 1 1 15 11147 1 1 14 CYS C C 3.498 -1.539 11.470 1.00 . A A . 16 CYS C 1 1 15 11148 1 1 14 CYS CA C 4.455 -1.809 10.309 1.00 . A A . 16 CYS CA 1 1 15 11149 1 1 14 CYS CB C 3.629 -2.028 9.032 1.00 . A A . 16 CYS CB 1 1 15 11150 1 1 14 CYS H H 4.899 -3.734 11.176 1.00 . A A . 16 CYS H 1 1 15 11151 1 1 14 CYS HA H 5.105 -0.957 10.175 1.00 . A A . 16 CYS HA 1 1 15 11152 1 1 14 CYS HB2 H 2.611 -2.263 9.304 1.00 . A A . 16 CYS HB2 1 1 15 11153 1 1 14 CYS HB3 H 3.638 -1.122 8.445 1.00 . A A . 16 CYS HB3 1 1 15 11154 1 1 14 CYS N N 5.277 -3.015 10.627 1.00 . A A . 16 CYS N 1 1 15 11155 1 1 14 CYS O O 3.273 -2.385 12.312 1.00 . A A . 16 CYS O 1 1 15 11156 1 1 14 CYS SG S 4.308 -3.390 8.048 1.00 . A A . 16 CYS SG 1 1 15 11157 1 1 15 THR C C 0.547 -0.198 12.093 1.00 . A A . 17 THR C 1 1 15 11158 1 1 15 THR CA C 1.973 -0.053 12.615 1.00 . A A . 17 THR CA 1 1 15 11159 1 1 15 THR CB C 2.198 1.383 13.096 1.00 . A A . 17 THR CB 1 1 15 11160 1 1 15 THR CG2 C 2.624 1.369 14.565 1.00 . A A . 17 THR CG2 1 1 15 11161 1 1 15 THR H H 3.111 0.297 10.822 1.00 . A A . 17 THR H 1 1 15 11162 1 1 15 THR HA H 2.126 -0.735 13.433 1.00 . A A . 17 THR HA 1 1 15 11163 1 1 15 THR HB H 1.283 1.946 12.997 1.00 . A A . 17 THR HB 1 1 15 11164 1 1 15 THR HG1 H 4.064 1.769 12.703 1.00 . A A . 17 THR HG1 1 1 15 11165 1 1 15 THR HG21 H 3.227 0.494 14.755 1.00 . A A . 17 THR HG21 1 1 15 11166 1 1 15 THR HG22 H 1.745 1.342 15.195 1.00 . A A . 17 THR HG22 1 1 15 11167 1 1 15 THR HG23 H 3.198 2.256 14.784 1.00 . A A . 17 THR HG23 1 1 15 11168 1 1 15 THR N N 2.923 -0.369 11.515 1.00 . A A . 17 THR N 1 1 15 11169 1 1 15 THR O O 0.326 -0.527 10.945 1.00 . A A . 17 THR O 1 1 15 11170 1 1 15 THR OG1 O 3.215 1.990 12.311 1.00 . A A . 17 THR OG1 1 1 15 11171 1 1 16 MET C C -2.272 1.264 11.844 1.00 . A A . 18 MET C 1 1 15 11172 1 1 16 MET CA C -1.835 -0.064 12.460 1.00 . A A . 18 MET CA 1 1 15 11173 1 1 16 MET CB C -2.737 -0.403 13.647 1.00 . A A . 18 MET CB 1 1 15 11174 1 1 16 MET CE C -3.594 -1.616 16.361 1.00 . A A . 18 MET CE 1 1 15 11175 1 1 16 MET CG C -2.863 -1.921 13.769 1.00 . A A . 18 MET CG 1 1 15 11176 1 1 16 MET H H -0.233 0.324 13.843 1.00 . A A . 18 MET H 1 1 15 11177 1 1 16 MET HA H -1.906 -0.847 11.718 1.00 . A A . 18 MET HA 1 1 15 11178 1 1 16 MET HB2 H -2.306 -0.001 14.553 1.00 . A A . 18 MET HB2 1 1 15 11179 1 1 16 MET HB3 H -3.714 0.028 13.491 1.00 . A A . 18 MET HB3 1 1 15 11180 1 1 16 MET HE1 H -4.401 -1.419 17.052 1.00 . A A . 18 MET HE1 1 1 15 11181 1 1 16 MET HE2 H -3.084 -0.692 16.136 1.00 . A A . 18 MET HE2 1 1 15 11182 1 1 16 MET HE3 H -2.894 -2.312 16.802 1.00 . A A . 18 MET HE3 1 1 15 11183 1 1 16 MET HG2 H -3.021 -2.349 12.789 1.00 . A A . 18 MET HG2 1 1 15 11184 1 1 16 MET HG3 H -1.958 -2.325 14.196 1.00 . A A . 18 MET HG3 1 1 15 11185 1 1 16 MET N N -0.427 0.052 12.922 1.00 . A A . 18 MET N 1 1 15 11186 1 1 16 MET O O -3.447 1.560 11.756 1.00 . A A . 18 MET O 1 1 15 11187 1 1 16 MET SD S -4.266 -2.324 14.837 1.00 . A A . 18 MET SD 1 1 15 11188 1 1 17 GLU C C -2.887 3.200 9.882 1.00 . A A . 19 GLU C 1 1 15 11189 1 1 17 GLU CA C -1.679 3.376 10.805 1.00 . A A . 19 GLU CA 1 1 15 11190 1 1 17 GLU CB C -0.479 3.896 10.005 1.00 . A A . 19 GLU CB 1 1 15 11191 1 1 17 GLU CD C 0.015 6.192 9.153 1.00 . A A . 19 GLU CD 1 1 15 11192 1 1 17 GLU CG C -0.933 4.997 9.047 1.00 . A A . 19 GLU CG 1 1 15 11193 1 1 17 GLU H H -0.390 1.802 11.501 1.00 . A A . 19 GLU H 1 1 15 11194 1 1 17 GLU HA H -1.923 4.082 11.584 1.00 . A A . 19 GLU HA 1 1 15 11195 1 1 17 GLU HB2 H 0.258 4.295 10.686 1.00 . A A . 19 GLU HB2 1 1 15 11196 1 1 17 GLU HB3 H -0.044 3.085 9.440 1.00 . A A . 19 GLU HB3 1 1 15 11197 1 1 17 GLU HG2 H -0.926 4.618 8.035 1.00 . A A . 19 GLU HG2 1 1 15 11198 1 1 17 GLU HG3 H -1.935 5.309 9.306 1.00 . A A . 19 GLU HG3 1 1 15 11199 1 1 17 GLU N N -1.329 2.065 11.417 1.00 . A A . 19 GLU N 1 1 15 11200 1 1 17 GLU O O -2.930 2.312 9.057 1.00 . A A . 19 GLU O 1 1 15 11201 1 1 17 GLU OE1 O 1.010 6.197 8.447 1.00 . A A . 19 GLU OE1 1 1 15 11202 1 1 17 GLU OE2 O -0.270 7.078 9.939 1.00 . A A . 19 GLU OE2 1 1 15 11203 1 1 18 TYR C C -4.919 4.773 7.916 1.00 . A A . 20 TYR C 1 1 15 11204 1 1 18 TYR CA C -5.084 3.923 9.172 1.00 . A A . 20 TYR CA 1 1 15 11205 1 1 18 TYR CB C -6.290 4.422 9.946 1.00 . A A . 20 TYR CB 1 1 15 11206 1 1 18 TYR CD1 C -7.666 2.432 9.236 1.00 . A A . 20 TYR CD1 1 1 15 11207 1 1 18 TYR CD2 C -8.602 4.652 8.968 1.00 . A A . 20 TYR CD2 1 1 15 11208 1 1 18 TYR CE1 C -8.835 1.875 8.702 1.00 . A A . 20 TYR CE1 1 1 15 11209 1 1 18 TYR CE2 C -9.771 4.096 8.433 1.00 . A A . 20 TYR CE2 1 1 15 11210 1 1 18 TYR CG C -7.550 3.821 9.369 1.00 . A A . 20 TYR CG 1 1 15 11211 1 1 18 TYR CZ C -9.886 2.706 8.300 1.00 . A A . 20 TYR CZ 1 1 15 11212 1 1 18 TYR H H -3.817 4.745 10.705 1.00 . A A . 20 TYR H 1 1 15 11213 1 1 18 TYR HA H -5.233 2.891 8.896 1.00 . A A . 20 TYR HA 1 1 15 11214 1 1 18 TYR HB2 H -6.193 4.141 10.981 1.00 . A A . 20 TYR HB2 1 1 15 11215 1 1 18 TYR HB3 H -6.332 5.496 9.862 1.00 . A A . 20 TYR HB3 1 1 15 11216 1 1 18 TYR HD1 H -6.853 1.790 9.546 1.00 . A A . 20 TYR HD1 1 1 15 11217 1 1 18 TYR HD2 H -8.513 5.723 9.071 1.00 . A A . 20 TYR HD2 1 1 15 11218 1 1 18 TYR HE1 H -8.923 0.803 8.600 1.00 . A A . 20 TYR HE1 1 1 15 11219 1 1 18 TYR HE2 H -10.583 4.738 8.124 1.00 . A A . 20 TYR HE2 1 1 15 11220 1 1 18 TYR HH H -11.788 2.541 8.232 1.00 . A A . 20 TYR HH 1 1 15 11221 1 1 18 TYR N N -3.871 4.040 10.027 1.00 . A A . 20 TYR N 1 1 15 11222 1 1 18 TYR O O -5.825 5.467 7.503 1.00 . A A . 20 TYR O 1 1 15 11223 1 1 18 TYR OH O -11.038 2.156 7.774 1.00 . A A . 20 TYR OH 1 1 15 11224 1 1 19 ARG C C -4.246 4.761 4.902 1.00 . A A . 21 ARG C 1 1 15 11225 1 1 19 ARG CA C -3.575 5.509 6.059 1.00 . A A . 21 ARG CA 1 1 15 11226 1 1 19 ARG CB C -2.078 5.663 5.776 1.00 . A A . 21 ARG CB 1 1 15 11227 1 1 19 ARG CD C -0.622 7.665 5.429 1.00 . A A . 21 ARG CD 1 1 15 11228 1 1 19 ARG CG C -1.846 6.906 4.916 1.00 . A A . 21 ARG CG 1 1 15 11229 1 1 19 ARG CZ C -0.132 9.011 7.383 1.00 . A A . 21 ARG CZ 1 1 15 11230 1 1 19 ARG H H -3.072 4.139 7.644 1.00 . A A . 21 ARG H 1 1 15 11231 1 1 19 ARG HA H -4.021 6.484 6.181 1.00 . A A . 21 ARG HA 1 1 15 11232 1 1 19 ARG HB2 H -1.545 5.767 6.709 1.00 . A A . 21 ARG HB2 1 1 15 11233 1 1 19 ARG HB3 H -1.719 4.792 5.252 1.00 . A A . 21 ARG HB3 1 1 15 11234 1 1 19 ARG HD2 H 0.116 6.960 5.783 1.00 . A A . 21 ARG HD2 1 1 15 11235 1 1 19 ARG HD3 H -0.203 8.255 4.628 1.00 . A A . 21 ARG HD3 1 1 15 11236 1 1 19 ARG HE H -1.968 8.817 6.655 1.00 . A A . 21 ARG HE 1 1 15 11237 1 1 19 ARG HG2 H -1.681 6.608 3.889 1.00 . A A . 21 ARG HG2 1 1 15 11238 1 1 19 ARG HG3 H -2.713 7.547 4.969 1.00 . A A . 21 ARG HG3 1 1 15 11239 1 1 19 ARG HH11 H 1.406 8.700 6.138 1.00 . A A . 21 ARG HH11 1 1 15 11240 1 1 19 ARG HH12 H 1.816 9.371 7.683 1.00 . A A . 21 ARG HH12 1 1 15 11241 1 1 19 ARG HH21 H -1.458 9.426 8.822 1.00 . A A . 21 ARG HH21 1 1 15 11242 1 1 19 ARG HH22 H 0.193 9.782 9.201 1.00 . A A . 21 ARG HH22 1 1 15 11243 1 1 19 ARG N N -3.781 4.713 7.299 1.00 . A A . 21 ARG N 1 1 15 11244 1 1 19 ARG NE N -1.028 8.563 6.548 1.00 . A A . 21 ARG NE 1 1 15 11245 1 1 19 ARG NH1 N 1.129 9.029 7.041 1.00 . A A . 21 ARG NH1 1 1 15 11246 1 1 19 ARG NH2 N -0.493 9.440 8.561 1.00 . A A . 21 ARG NH2 1 1 15 11247 1 1 19 ARG O O -3.834 3.670 4.557 1.00 . A A . 21 ARG O 1 1 15 11248 1 1 20 PRO C C -5.287 4.876 1.928 1.00 . A A . 22 PRO C 1 1 15 11249 1 1 20 PRO CA C -6.041 4.745 3.250 1.00 . A A . 22 PRO CA 1 1 15 11250 1 1 20 PRO CB C -7.342 5.550 3.226 1.00 . A A . 22 PRO CB 1 1 15 11251 1 1 20 PRO CD C -5.769 6.682 4.764 1.00 . A A . 22 PRO CD 1 1 15 11252 1 1 20 PRO CG C -7.031 6.903 3.909 1.00 . A A . 22 PRO CG 1 1 15 11253 1 1 20 PRO HA H -6.255 3.710 3.465 1.00 . A A . 22 PRO HA 1 1 15 11254 1 1 20 PRO HB2 H -7.661 5.709 2.204 1.00 . A A . 22 PRO HB2 1 1 15 11255 1 1 20 PRO HB3 H -8.109 5.032 3.779 1.00 . A A . 22 PRO HB3 1 1 15 11256 1 1 20 PRO HD2 H -5.032 7.443 4.548 1.00 . A A . 22 PRO HD2 1 1 15 11257 1 1 20 PRO HD3 H -6.019 6.679 5.812 1.00 . A A . 22 PRO HD3 1 1 15 11258 1 1 20 PRO HG2 H -6.847 7.662 3.160 1.00 . A A . 22 PRO HG2 1 1 15 11259 1 1 20 PRO HG3 H -7.853 7.195 4.542 1.00 . A A . 22 PRO HG3 1 1 15 11260 1 1 20 PRO N N -5.277 5.352 4.351 1.00 . A A . 22 PRO N 1 1 15 11261 1 1 20 PRO O O -5.008 5.963 1.464 1.00 . A A . 22 PRO O 1 1 15 11262 1 1 21 LEU C C -5.039 3.077 -1.032 1.00 . A A . 23 LEU C 1 1 15 11263 1 1 21 LEU CA C -4.230 3.818 0.026 1.00 . A A . 23 LEU CA 1 1 15 11264 1 1 21 LEU CB C -2.864 3.153 0.187 1.00 . A A . 23 LEU CB 1 1 15 11265 1 1 21 LEU CD1 C -1.074 3.543 1.886 1.00 . A A . 23 LEU CD1 1 1 15 11266 1 1 21 LEU CD2 C -0.930 4.621 -0.365 1.00 . A A . 23 LEU CD2 1 1 15 11267 1 1 21 LEU CG C -1.878 4.173 0.748 1.00 . A A . 23 LEU CG 1 1 15 11268 1 1 21 LEU H H -5.198 2.908 1.715 1.00 . A A . 23 LEU H 1 1 15 11269 1 1 21 LEU HA H -4.096 4.847 -0.275 1.00 . A A . 23 LEU HA 1 1 15 11270 1 1 21 LEU HB2 H -2.946 2.316 0.865 1.00 . A A . 23 LEU HB2 1 1 15 11271 1 1 21 LEU HB3 H -2.513 2.806 -0.776 1.00 . A A . 23 LEU HB3 1 1 15 11272 1 1 21 LEU HD11 H -1.045 4.222 2.725 1.00 . A A . 23 LEU HD11 1 1 15 11273 1 1 21 LEU HD12 H -0.066 3.344 1.549 1.00 . A A . 23 LEU HD12 1 1 15 11274 1 1 21 LEU HD13 H -1.540 2.617 2.188 1.00 . A A . 23 LEU HD13 1 1 15 11275 1 1 21 LEU HD21 H -0.066 5.102 0.068 1.00 . A A . 23 LEU HD21 1 1 15 11276 1 1 21 LEU HD22 H -1.441 5.317 -1.015 1.00 . A A . 23 LEU HD22 1 1 15 11277 1 1 21 LEU HD23 H -0.614 3.760 -0.937 1.00 . A A . 23 LEU HD23 1 1 15 11278 1 1 21 LEU HG H -2.424 5.025 1.124 1.00 . A A . 23 LEU HG 1 1 15 11279 1 1 21 LEU N N -4.960 3.771 1.320 1.00 . A A . 23 LEU N 1 1 15 11280 1 1 21 LEU O O -5.255 1.885 -0.940 1.00 . A A . 23 LEU O 1 1 15 11281 1 1 22 CYS C C -5.325 2.570 -4.163 1.00 . A A . 24 CYS C 1 1 15 11282 1 1 22 CYS CA C -6.282 3.095 -3.095 1.00 . A A . 24 CYS CA 1 1 15 11283 1 1 22 CYS CB C -7.258 4.096 -3.719 1.00 . A A . 24 CYS CB 1 1 15 11284 1 1 22 CYS H H -5.304 4.730 -2.096 1.00 . A A . 24 CYS H 1 1 15 11285 1 1 22 CYS HA H -6.832 2.271 -2.658 1.00 . A A . 24 CYS HA 1 1 15 11286 1 1 22 CYS HB2 H -7.799 4.606 -2.936 1.00 . A A . 24 CYS HB2 1 1 15 11287 1 1 22 CYS HB3 H -6.708 4.818 -4.303 1.00 . A A . 24 CYS HB3 1 1 15 11288 1 1 22 CYS N N -5.489 3.768 -2.037 1.00 . A A . 24 CYS N 1 1 15 11289 1 1 22 CYS O O -5.037 3.244 -5.133 1.00 . A A . 24 CYS O 1 1 15 11290 1 1 22 CYS SG S -8.428 3.221 -4.789 1.00 . A A . 24 CYS SG 1 1 15 11291 1 1 23 GLY C C -4.476 0.893 -6.376 1.00 . A A . 25 GLY C 1 1 15 11292 1 1 23 GLY CA C -3.873 0.798 -4.976 1.00 . A A . 25 GLY CA 1 1 15 11293 1 1 23 GLY H H -5.071 0.860 -3.186 1.00 . A A . 25 GLY H 1 1 15 11294 1 1 23 GLY HA2 H -2.942 1.346 -4.944 1.00 . A A . 25 GLY HA2 1 1 15 11295 1 1 23 GLY HA3 H -3.690 -0.238 -4.736 1.00 . A A . 25 GLY HA3 1 1 15 11296 1 1 23 GLY N N -4.824 1.375 -3.981 1.00 . A A . 25 GLY N 1 1 15 11297 1 1 23 GLY O O -5.683 0.911 -6.537 1.00 . A A . 25 GLY O 1 1 15 11298 1 1 24 SER C C -5.128 -0.117 -9.063 1.00 . A A . 26 SER C 1 1 15 11299 1 1 24 SER CA C -4.171 1.045 -8.784 1.00 . A A . 26 SER CA 1 1 15 11300 1 1 24 SER CB C -3.005 0.996 -9.769 1.00 . A A . 26 SER CB 1 1 15 11301 1 1 24 SER H H -2.672 0.929 -7.236 1.00 . A A . 26 SER H 1 1 15 11302 1 1 24 SER HA H -4.699 1.979 -8.901 1.00 . A A . 26 SER HA 1 1 15 11303 1 1 24 SER HB2 H -3.382 0.906 -10.775 1.00 . A A . 26 SER HB2 1 1 15 11304 1 1 24 SER HB3 H -2.426 1.907 -9.684 1.00 . A A . 26 SER HB3 1 1 15 11305 1 1 24 SER HG H -2.311 -0.775 -10.170 1.00 . A A . 26 SER HG 1 1 15 11306 1 1 24 SER N N -3.645 0.951 -7.390 1.00 . A A . 26 SER N 1 1 15 11307 1 1 24 SER O O -5.872 -0.098 -10.026 1.00 . A A . 26 SER O 1 1 15 11308 1 1 24 SER OG O -2.187 -0.128 -9.472 1.00 . A A . 26 SER OG 1 1 15 11309 1 1 25 ASP C C -7.419 -1.966 -7.864 1.00 . A A . 27 ASP C 1 1 15 11310 1 1 25 ASP CA C -6.042 -2.281 -8.458 1.00 . A A . 27 ASP CA 1 1 15 11311 1 1 25 ASP CB C -5.471 -3.527 -7.776 1.00 . A A . 27 ASP CB 1 1 15 11312 1 1 25 ASP CG C -5.640 -3.410 -6.257 1.00 . A A . 27 ASP CG 1 1 15 11313 1 1 25 ASP H H -4.522 -1.127 -7.463 1.00 . A A . 27 ASP H 1 1 15 11314 1 1 25 ASP HA H -6.140 -2.463 -9.517 1.00 . A A . 27 ASP HA 1 1 15 11315 1 1 25 ASP HB2 H -5.995 -4.401 -8.130 1.00 . A A . 27 ASP HB2 1 1 15 11316 1 1 25 ASP HB3 H -4.423 -3.616 -8.012 1.00 . A A . 27 ASP HB3 1 1 15 11317 1 1 25 ASP N N -5.125 -1.126 -8.234 1.00 . A A . 27 ASP N 1 1 15 11318 1 1 25 ASP O O -8.216 -2.851 -7.621 1.00 . A A . 27 ASP O 1 1 15 11319 1 1 25 ASP OD1 O -5.581 -2.300 -5.757 1.00 . A A . 27 ASP OD1 1 1 15 11320 1 1 25 ASP OD2 O -5.829 -4.435 -5.622 1.00 . A A . 27 ASP OD2 1 1 15 11321 1 1 26 ASN C C -9.169 -1.026 -5.677 1.00 . A A . 28 ASN C 1 1 15 11322 1 1 26 ASN CA C -9.022 -0.352 -7.041 1.00 . A A . 28 ASN CA 1 1 15 11323 1 1 26 ASN CB C -10.140 -0.830 -7.972 1.00 . A A . 28 ASN CB 1 1 15 11324 1 1 26 ASN CG C -11.376 0.049 -7.782 1.00 . A A . 28 ASN CG 1 1 15 11325 1 1 26 ASN H H -7.050 -0.018 -7.819 1.00 . A A . 28 ASN H 1 1 15 11326 1 1 26 ASN HA H -9.082 0.720 -6.924 1.00 . A A . 28 ASN HA 1 1 15 11327 1 1 26 ASN HB2 H -9.807 -0.765 -8.998 1.00 . A A . 28 ASN HB2 1 1 15 11328 1 1 26 ASN HB3 H -10.390 -1.855 -7.739 1.00 . A A . 28 ASN HB3 1 1 15 11329 1 1 26 ASN HD21 H -12.574 -1.178 -8.782 1.00 . A A . 28 ASN HD21 1 1 15 11330 1 1 26 ASN HD22 H -13.316 0.221 -8.172 1.00 . A A . 28 ASN HD22 1 1 15 11331 1 1 26 ASN N N -7.704 -0.716 -7.625 1.00 . A A . 28 ASN N 1 1 15 11332 1 1 26 ASN ND2 N -12.517 -0.335 -8.287 1.00 . A A . 28 ASN ND2 1 1 15 11333 1 1 26 ASN O O -10.213 -1.551 -5.343 1.00 . A A . 28 ASN O 1 1 15 11334 1 1 26 ASN OD1 O -11.305 1.095 -7.166 1.00 . A A . 28 ASN OD1 1 1 15 11335 1 1 27 LYS C C -7.799 -0.701 -2.449 1.00 . A A . 29 LYS C 1 1 15 11336 1 1 27 LYS CA C -8.217 -1.680 -3.550 1.00 . A A . 29 LYS CA 1 1 15 11337 1 1 27 LYS CB C -7.299 -2.904 -3.521 1.00 . A A . 29 LYS CB 1 1 15 11338 1 1 27 LYS CD C -7.436 -5.075 -2.288 1.00 . A A . 29 LYS CD 1 1 15 11339 1 1 27 LYS CE C -7.403 -5.728 -0.905 1.00 . A A . 29 LYS CE 1 1 15 11340 1 1 27 LYS CG C -7.356 -3.555 -2.139 1.00 . A A . 29 LYS CG 1 1 15 11341 1 1 27 LYS H H -7.287 -0.605 -5.181 1.00 . A A . 29 LYS H 1 1 15 11342 1 1 27 LYS HA H -9.233 -1.994 -3.377 1.00 . A A . 29 LYS HA 1 1 15 11343 1 1 27 LYS HB2 H -7.625 -3.614 -4.269 1.00 . A A . 29 LYS HB2 1 1 15 11344 1 1 27 LYS HB3 H -6.285 -2.599 -3.732 1.00 . A A . 29 LYS HB3 1 1 15 11345 1 1 27 LYS HD2 H -8.354 -5.339 -2.793 1.00 . A A . 29 LYS HD2 1 1 15 11346 1 1 27 LYS HD3 H -6.593 -5.423 -2.868 1.00 . A A . 29 LYS HD3 1 1 15 11347 1 1 27 LYS HE2 H -6.409 -5.643 -0.490 1.00 . A A . 29 LYS HE2 1 1 15 11348 1 1 27 LYS HE3 H -8.108 -5.229 -0.254 1.00 . A A . 29 LYS HE3 1 1 15 11349 1 1 27 LYS HG2 H -6.467 -3.292 -1.582 1.00 . A A . 29 LYS HG2 1 1 15 11350 1 1 27 LYS HG3 H -8.229 -3.201 -1.611 1.00 . A A . 29 LYS HG3 1 1 15 11351 1 1 27 LYS HZ1 H -7.353 -7.558 -1.892 1.00 . A A . 29 LYS HZ1 1 1 15 11352 1 1 27 LYS HZ2 H -8.807 -7.256 -1.065 1.00 . A A . 29 LYS HZ2 1 1 15 11353 1 1 27 LYS HZ3 H -7.407 -7.686 -0.201 1.00 . A A . 29 LYS HZ3 1 1 15 11354 1 1 27 LYS N N -8.126 -1.026 -4.890 1.00 . A A . 29 LYS N 1 1 15 11355 1 1 27 LYS NZ N -7.771 -7.165 -1.025 1.00 . A A . 29 LYS NZ 1 1 15 11356 1 1 27 LYS O O -6.984 0.176 -2.655 1.00 . A A . 29 LYS O 1 1 15 11357 1 1 28 THR C C -6.943 -0.618 0.730 1.00 . A A . 30 THR C 1 1 15 11358 1 1 28 THR CA C -7.996 0.059 -0.148 1.00 . A A . 30 THR CA 1 1 15 11359 1 1 28 THR CB C -9.244 0.358 0.689 1.00 . A A . 30 THR CB 1 1 15 11360 1 1 28 THR CG2 C -8.933 1.469 1.692 1.00 . A A . 30 THR CG2 1 1 15 11361 1 1 28 THR H H -9.007 -1.570 -1.132 1.00 . A A . 30 THR H 1 1 15 11362 1 1 28 THR HA H -7.596 0.982 -0.543 1.00 . A A . 30 THR HA 1 1 15 11363 1 1 28 THR HB H -9.539 -0.532 1.223 1.00 . A A . 30 THR HB 1 1 15 11364 1 1 28 THR HG1 H -10.696 -0.017 -0.551 1.00 . A A . 30 THR HG1 1 1 15 11365 1 1 28 THR HG21 H -8.712 1.032 2.654 1.00 . A A . 30 THR HG21 1 1 15 11366 1 1 28 THR HG22 H -9.786 2.123 1.779 1.00 . A A . 30 THR HG22 1 1 15 11367 1 1 28 THR HG23 H -8.079 2.034 1.349 1.00 . A A . 30 THR HG23 1 1 15 11368 1 1 28 THR N N -8.355 -0.852 -1.273 1.00 . A A . 30 THR N 1 1 15 11369 1 1 28 THR O O -6.935 -1.823 0.888 1.00 . A A . 30 THR O 1 1 15 11370 1 1 28 THR OG1 O -10.300 0.770 -0.167 1.00 . A A . 30 THR OG1 1 1 15 11371 1 1 29 TYR C C -4.870 0.283 3.458 1.00 . A A . 31 TYR C 1 1 15 11372 1 1 29 TYR CA C -4.980 -0.463 2.127 1.00 . A A . 31 TYR CA 1 1 15 11373 1 1 29 TYR CB C -3.670 -0.365 1.362 1.00 . A A . 31 TYR CB 1 1 15 11374 1 1 29 TYR CD1 C -3.826 -2.798 0.725 1.00 . A A . 31 TYR CD1 1 1 15 11375 1 1 29 TYR CD2 C -3.404 -1.159 -1.007 1.00 . A A . 31 TYR CD2 1 1 15 11376 1 1 29 TYR CE1 C -3.799 -3.817 -0.231 1.00 . A A . 31 TYR CE1 1 1 15 11377 1 1 29 TYR CE2 C -3.379 -2.177 -1.966 1.00 . A A . 31 TYR CE2 1 1 15 11378 1 1 29 TYR CG C -3.627 -1.468 0.336 1.00 . A A . 31 TYR CG 1 1 15 11379 1 1 29 TYR CZ C -3.576 -3.506 -1.579 1.00 . A A . 31 TYR CZ 1 1 15 11380 1 1 29 TYR H H -6.044 1.105 1.137 1.00 . A A . 31 TYR H 1 1 15 11381 1 1 29 TYR HA H -5.207 -1.499 2.317 1.00 . A A . 31 TYR HA 1 1 15 11382 1 1 29 TYR HB2 H -3.618 0.593 0.864 1.00 . A A . 31 TYR HB2 1 1 15 11383 1 1 29 TYR HB3 H -2.848 -0.465 2.043 1.00 . A A . 31 TYR HB3 1 1 15 11384 1 1 29 TYR HD1 H -3.999 -3.036 1.764 1.00 . A A . 31 TYR HD1 1 1 15 11385 1 1 29 TYR HD2 H -3.251 -0.132 -1.307 1.00 . A A . 31 TYR HD2 1 1 15 11386 1 1 29 TYR HE1 H -3.953 -4.843 0.068 1.00 . A A . 31 TYR HE1 1 1 15 11387 1 1 29 TYR HE2 H -3.204 -1.937 -3.004 1.00 . A A . 31 TYR HE2 1 1 15 11388 1 1 29 TYR HH H -4.209 -4.304 -3.191 1.00 . A A . 31 TYR HH 1 1 15 11389 1 1 29 TYR N N -6.039 0.141 1.287 1.00 . A A . 31 TYR N 1 1 15 11390 1 1 29 TYR O O -5.173 1.456 3.554 1.00 . A A . 31 TYR O 1 1 15 11391 1 1 29 TYR OH O -3.551 -4.510 -2.523 1.00 . A A . 31 TYR OH 1 1 15 11392 1 1 30 GLY C C -3.234 1.348 5.746 1.00 . A A . 32 GLY C 1 1 15 11393 1 1 30 GLY CA C -4.309 0.265 5.814 1.00 . A A . 32 GLY CA 1 1 15 11394 1 1 30 GLY H H -4.201 -1.340 4.384 1.00 . A A . 32 GLY H 1 1 15 11395 1 1 30 GLY HA2 H -5.256 0.714 6.085 1.00 . A A . 32 GLY HA2 1 1 15 11396 1 1 30 GLY HA3 H -4.031 -0.468 6.557 1.00 . A A . 32 GLY HA3 1 1 15 11397 1 1 30 GLY N N -4.438 -0.395 4.486 1.00 . A A . 32 GLY N 1 1 15 11398 1 1 30 GLY O O -3.309 2.351 6.427 1.00 . A A . 32 GLY O 1 1 15 11399 1 1 31 ASN C C -0.093 1.756 3.822 1.00 . A A . 33 ASN C 1 1 15 11400 1 1 31 ASN CA C -1.171 2.194 4.821 1.00 . A A . 33 ASN CA 1 1 15 11401 1 1 31 ASN CB C -0.543 2.433 6.199 1.00 . A A . 33 ASN CB 1 1 15 11402 1 1 31 ASN CG C -0.234 1.096 6.872 1.00 . A A . 33 ASN CG 1 1 15 11403 1 1 31 ASN H H -2.194 0.352 4.379 1.00 . A A . 33 ASN H 1 1 15 11404 1 1 31 ASN HA H -1.612 3.115 4.473 1.00 . A A . 33 ASN HA 1 1 15 11405 1 1 31 ASN HB2 H 0.369 2.997 6.085 1.00 . A A . 33 ASN HB2 1 1 15 11406 1 1 31 ASN HB3 H -1.235 2.989 6.815 1.00 . A A . 33 ASN HB3 1 1 15 11407 1 1 31 ASN HD21 H -0.982 1.645 8.627 1.00 . A A . 33 ASN HD21 1 1 15 11408 1 1 31 ASN HD22 H -0.353 0.070 8.568 1.00 . A A . 33 ASN HD22 1 1 15 11409 1 1 31 ASN N N -2.237 1.161 4.926 1.00 . A A . 33 ASN N 1 1 15 11410 1 1 31 ASN ND2 N -0.549 0.922 8.126 1.00 . A A . 33 ASN ND2 1 1 15 11411 1 1 31 ASN O O -0.263 0.819 3.067 1.00 . A A . 33 ASN O 1 1 15 11412 1 1 31 ASN OD1 O 0.308 0.206 6.257 1.00 . A A . 33 ASN OD1 1 1 15 11413 1 1 32 LYS C C 2.724 0.771 3.116 1.00 . A A . 34 LYS C 1 1 15 11414 1 1 32 LYS CA C 2.111 2.157 2.850 1.00 . A A . 34 LYS CA 1 1 15 11415 1 1 32 LYS CB C 3.184 3.250 2.997 1.00 . A A . 34 LYS CB 1 1 15 11416 1 1 32 LYS CD C 5.252 2.104 3.811 1.00 . A A . 34 LYS CD 1 1 15 11417 1 1 32 LYS CE C 6.259 3.102 4.385 1.00 . A A . 34 LYS CE 1 1 15 11418 1 1 32 LYS CG C 4.563 2.718 2.591 1.00 . A A . 34 LYS CG 1 1 15 11419 1 1 32 LYS H H 1.090 3.220 4.408 1.00 . A A . 34 LYS H 1 1 15 11420 1 1 32 LYS HA H 1.724 2.183 1.842 1.00 . A A . 34 LYS HA 1 1 15 11421 1 1 32 LYS HB2 H 2.926 4.087 2.365 1.00 . A A . 34 LYS HB2 1 1 15 11422 1 1 32 LYS HB3 H 3.219 3.579 4.025 1.00 . A A . 34 LYS HB3 1 1 15 11423 1 1 32 LYS HD2 H 4.511 1.866 4.562 1.00 . A A . 34 LYS HD2 1 1 15 11424 1 1 32 LYS HD3 H 5.769 1.204 3.519 1.00 . A A . 34 LYS HD3 1 1 15 11425 1 1 32 LYS HE2 H 5.821 4.090 4.395 1.00 . A A . 34 LYS HE2 1 1 15 11426 1 1 32 LYS HE3 H 6.519 2.814 5.392 1.00 . A A . 34 LYS HE3 1 1 15 11427 1 1 32 LYS HG2 H 4.449 1.967 1.823 1.00 . A A . 34 LYS HG2 1 1 15 11428 1 1 32 LYS HG3 H 5.164 3.531 2.211 1.00 . A A . 34 LYS HG3 1 1 15 11429 1 1 32 LYS HZ1 H 7.718 4.088 3.273 1.00 . A A . 34 LYS HZ1 1 1 15 11430 1 1 32 LYS HZ2 H 7.316 2.549 2.680 1.00 . A A . 34 LYS HZ2 1 1 15 11431 1 1 32 LYS HZ3 H 8.278 2.701 4.071 1.00 . A A . 34 LYS HZ3 1 1 15 11432 1 1 32 LYS N N 1.003 2.462 3.803 1.00 . A A . 34 LYS N 1 1 15 11433 1 1 32 LYS NZ N 7.485 3.111 3.539 1.00 . A A . 34 LYS NZ 1 1 15 11434 1 1 32 LYS O O 3.158 0.105 2.197 1.00 . A A . 34 LYS O 1 1 15 11435 1 1 33 CYS C C 2.438 -2.103 4.164 1.00 . A A . 35 CYS C 1 1 15 11436 1 1 33 CYS CA C 3.406 -1.002 4.596 1.00 . A A . 35 CYS CA 1 1 15 11437 1 1 33 CYS CB C 3.733 -1.135 6.079 1.00 . A A . 35 CYS CB 1 1 15 11438 1 1 33 CYS H H 2.453 0.861 5.092 1.00 . A A . 35 CYS H 1 1 15 11439 1 1 33 CYS HA H 4.316 -1.085 4.020 1.00 . A A . 35 CYS HA 1 1 15 11440 1 1 33 CYS HB2 H 4.199 -0.225 6.427 1.00 . A A . 35 CYS HB2 1 1 15 11441 1 1 33 CYS HB3 H 2.824 -1.305 6.631 1.00 . A A . 35 CYS HB3 1 1 15 11442 1 1 33 CYS N N 2.792 0.327 4.343 1.00 . A A . 35 CYS N 1 1 15 11443 1 1 33 CYS O O 2.834 -3.124 3.638 1.00 . A A . 35 CYS O 1 1 15 11444 1 1 33 CYS SG S 4.875 -2.523 6.314 1.00 . A A . 35 CYS SG 1 1 15 11445 1 1 34 ASN C C -0.062 -2.781 2.442 1.00 . A A . 36 ASN C 1 1 15 11446 1 1 34 ASN CA C 0.169 -2.910 3.949 1.00 . A A . 36 ASN CA 1 1 15 11447 1 1 34 ASN CB C -1.139 -2.656 4.696 1.00 . A A . 36 ASN CB 1 1 15 11448 1 1 34 ASN CG C -1.650 -3.969 5.295 1.00 . A A . 36 ASN CG 1 1 15 11449 1 1 34 ASN H H 0.867 -1.059 4.767 1.00 . A A . 36 ASN H 1 1 15 11450 1 1 34 ASN HA H 0.537 -3.900 4.179 1.00 . A A . 36 ASN HA 1 1 15 11451 1 1 34 ASN HB2 H -0.969 -1.939 5.486 1.00 . A A . 36 ASN HB2 1 1 15 11452 1 1 34 ASN HB3 H -1.872 -2.264 4.011 1.00 . A A . 36 ASN HB3 1 1 15 11453 1 1 34 ASN HD21 H -0.457 -3.871 6.879 1.00 . A A . 36 ASN HD21 1 1 15 11454 1 1 34 ASN HD22 H -1.470 -5.231 6.816 1.00 . A A . 36 ASN HD22 1 1 15 11455 1 1 34 ASN N N 1.167 -1.893 4.361 1.00 . A A . 36 ASN N 1 1 15 11456 1 1 34 ASN ND2 N -1.151 -4.392 6.425 1.00 . A A . 36 ASN ND2 1 1 15 11457 1 1 34 ASN O O -0.648 -3.637 1.812 1.00 . A A . 36 ASN O 1 1 15 11458 1 1 34 ASN OD1 O -2.510 -4.613 4.730 1.00 . A A . 36 ASN OD1 1 1 15 11459 1 1 35 PHE C C 1.307 -2.289 -0.350 1.00 . A A . 37 PHE C 1 1 15 11460 1 1 35 PHE CA C 0.237 -1.498 0.403 1.00 . A A . 37 PHE CA 1 1 15 11461 1 1 35 PHE CB C 0.404 -0.007 0.103 1.00 . A A . 37 PHE CB 1 1 15 11462 1 1 35 PHE CD1 C -0.430 -0.126 -2.272 1.00 . A A . 37 PHE CD1 1 1 15 11463 1 1 35 PHE CD2 C 1.814 0.689 -1.864 1.00 . A A . 37 PHE CD2 1 1 15 11464 1 1 35 PHE CE1 C -0.245 0.051 -3.646 1.00 . A A . 37 PHE CE1 1 1 15 11465 1 1 35 PHE CE2 C 2.001 0.864 -3.239 1.00 . A A . 37 PHE CE2 1 1 15 11466 1 1 35 PHE CG C 0.598 0.193 -1.380 1.00 . A A . 37 PHE CG 1 1 15 11467 1 1 35 PHE CZ C 0.971 0.546 -4.132 1.00 . A A . 37 PHE CZ 1 1 15 11468 1 1 35 PHE H H 0.879 -1.035 2.392 1.00 . A A . 37 PHE H 1 1 15 11469 1 1 35 PHE HA H -0.743 -1.827 0.096 1.00 . A A . 37 PHE HA 1 1 15 11470 1 1 35 PHE HB2 H -0.476 0.527 0.434 1.00 . A A . 37 PHE HB2 1 1 15 11471 1 1 35 PHE HB3 H 1.268 0.369 0.629 1.00 . A A . 37 PHE HB3 1 1 15 11472 1 1 35 PHE HD1 H -1.367 -0.508 -1.900 1.00 . A A . 37 PHE HD1 1 1 15 11473 1 1 35 PHE HD2 H 2.607 0.936 -1.176 1.00 . A A . 37 PHE HD2 1 1 15 11474 1 1 35 PHE HE1 H -1.041 -0.197 -4.332 1.00 . A A . 37 PHE HE1 1 1 15 11475 1 1 35 PHE HE2 H 2.940 1.248 -3.612 1.00 . A A . 37 PHE HE2 1 1 15 11476 1 1 35 PHE HZ H 1.113 0.682 -5.193 1.00 . A A . 37 PHE HZ 1 1 15 11477 1 1 35 PHE N N 0.408 -1.708 1.863 1.00 . A A . 37 PHE N 1 1 15 11478 1 1 35 PHE O O 1.016 -3.032 -1.267 1.00 . A A . 37 PHE O 1 1 15 11479 1 1 36 CYS C C 3.482 -4.361 -0.375 1.00 . A A . 38 CYS C 1 1 15 11480 1 1 36 CYS CA C 3.631 -2.870 -0.665 1.00 . A A . 38 CYS CA 1 1 15 11481 1 1 36 CYS CB C 4.987 -2.372 -0.160 1.00 . A A . 38 CYS CB 1 1 15 11482 1 1 36 CYS H H 2.755 -1.530 0.773 1.00 . A A . 38 CYS H 1 1 15 11483 1 1 36 CYS HA H 3.558 -2.701 -1.729 1.00 . A A . 38 CYS HA 1 1 15 11484 1 1 36 CYS HB2 H 5.027 -2.473 0.913 1.00 . A A . 38 CYS HB2 1 1 15 11485 1 1 36 CYS HB3 H 5.777 -2.957 -0.608 1.00 . A A . 38 CYS HB3 1 1 15 11486 1 1 36 CYS N N 2.543 -2.133 0.030 1.00 . A A . 38 CYS N 1 1 15 11487 1 1 36 CYS O O 3.934 -5.199 -1.128 1.00 . A A . 38 CYS O 1 1 15 11488 1 1 36 CYS SG S 5.195 -0.631 -0.608 1.00 . A A . 38 CYS SG 1 1 15 11489 1 1 37 ASN C C 1.580 -6.710 0.114 1.00 . A A . 39 ASN C 1 1 15 11490 1 1 37 ASN CA C 2.642 -6.139 1.035 1.00 . A A . 39 ASN CA 1 1 15 11491 1 1 37 ASN CB C 2.198 -6.288 2.491 1.00 . A A . 39 ASN CB 1 1 15 11492 1 1 37 ASN CG C 3.427 -6.460 3.381 1.00 . A A . 39 ASN CG 1 1 15 11493 1 1 37 ASN H H 2.467 -4.005 1.298 1.00 . A A . 39 ASN H 1 1 15 11494 1 1 37 ASN HA H 3.567 -6.667 0.876 1.00 . A A . 39 ASN HA 1 1 15 11495 1 1 37 ASN HB2 H 1.650 -5.407 2.793 1.00 . A A . 39 ASN HB2 1 1 15 11496 1 1 37 ASN HB3 H 1.565 -7.157 2.586 1.00 . A A . 39 ASN HB3 1 1 15 11497 1 1 37 ASN HD21 H 3.149 -8.409 3.623 1.00 . A A . 39 ASN HD21 1 1 15 11498 1 1 37 ASN HD22 H 4.505 -7.767 4.416 1.00 . A A . 39 ASN HD22 1 1 15 11499 1 1 37 ASN N N 2.834 -4.699 0.708 1.00 . A A . 39 ASN N 1 1 15 11500 1 1 37 ASN ND2 N 3.718 -7.643 3.846 1.00 . A A . 39 ASN ND2 1 1 15 11501 1 1 37 ASN O O 1.753 -7.756 -0.481 1.00 . A A . 39 ASN O 1 1 15 11502 1 1 37 ASN OD1 O 4.132 -5.509 3.656 1.00 . A A . 39 ASN OD1 1 1 15 11503 1 1 38 ALA C C 0.066 -6.575 -2.340 1.00 . A A . 40 ALA C 1 1 15 11504 1 1 38 ALA CA C -0.563 -6.515 -0.956 1.00 . A A . 40 ALA CA 1 1 15 11505 1 1 38 ALA CB C -1.747 -5.552 -0.964 1.00 . A A . 40 ALA CB 1 1 15 11506 1 1 38 ALA H H 0.381 -5.166 0.434 1.00 . A A . 40 ALA H 1 1 15 11507 1 1 38 ALA HA H -0.883 -7.502 -0.652 1.00 . A A . 40 ALA HA 1 1 15 11508 1 1 38 ALA HB1 H -2.661 -6.107 -1.113 1.00 . A A . 40 ALA HB1 1 1 15 11509 1 1 38 ALA HB2 H -1.625 -4.835 -1.763 1.00 . A A . 40 ALA HB2 1 1 15 11510 1 1 38 ALA HB3 H -1.794 -5.031 -0.018 1.00 . A A . 40 ALA HB3 1 1 15 11511 1 1 38 ALA N N 0.490 -6.019 -0.037 1.00 . A A . 40 ALA N 1 1 15 11512 1 1 38 ALA O O -0.289 -7.388 -3.172 1.00 . A A . 40 ALA O 1 1 15 11513 1 1 39 VAL C C 2.586 -6.986 -3.962 1.00 . A A . 41 VAL C 1 1 15 11514 1 1 39 VAL CA C 1.725 -5.728 -3.881 1.00 . A A . 41 VAL CA 1 1 15 11515 1 1 39 VAL CB C 2.612 -4.485 -3.995 1.00 . A A . 41 VAL CB 1 1 15 11516 1 1 39 VAL CG1 C 3.340 -4.508 -5.338 1.00 . A A . 41 VAL CG1 1 1 15 11517 1 1 39 VAL CG2 C 1.742 -3.229 -3.908 1.00 . A A . 41 VAL CG2 1 1 15 11518 1 1 39 VAL H H 1.305 -5.097 -1.871 1.00 . A A . 41 VAL H 1 1 15 11519 1 1 39 VAL HA H 0.999 -5.733 -4.678 1.00 . A A . 41 VAL HA 1 1 15 11520 1 1 39 VAL HB H 3.334 -4.484 -3.193 1.00 . A A . 41 VAL HB 1 1 15 11521 1 1 39 VAL HG11 H 3.213 -5.477 -5.798 1.00 . A A . 41 VAL HG11 1 1 15 11522 1 1 39 VAL HG12 H 4.391 -4.319 -5.181 1.00 . A A . 41 VAL HG12 1 1 15 11523 1 1 39 VAL HG13 H 2.929 -3.746 -5.984 1.00 . A A . 41 VAL HG13 1 1 15 11524 1 1 39 VAL HG21 H 2.053 -2.634 -3.061 1.00 . A A . 41 VAL HG21 1 1 15 11525 1 1 39 VAL HG22 H 0.708 -3.514 -3.787 1.00 . A A . 41 VAL HG22 1 1 15 11526 1 1 39 VAL HG23 H 1.853 -2.650 -4.813 1.00 . A A . 41 VAL HG23 1 1 15 11527 1 1 39 VAL N N 1.029 -5.727 -2.572 1.00 . A A . 41 VAL N 1 1 15 11528 1 1 39 VAL O O 2.767 -7.559 -5.018 1.00 . A A . 41 VAL O 1 1 15 11529 1 1 40 VAL C C 3.040 -9.829 -3.317 1.00 . A A . 42 VAL C 1 1 15 11530 1 1 40 VAL CA C 3.931 -8.672 -2.876 1.00 . A A . 42 VAL CA 1 1 15 11531 1 1 40 VAL CB C 4.488 -8.960 -1.482 1.00 . A A . 42 VAL CB 1 1 15 11532 1 1 40 VAL CG1 C 5.084 -10.369 -1.462 1.00 . A A . 42 VAL CG1 1 1 15 11533 1 1 40 VAL CG2 C 5.575 -7.936 -1.146 1.00 . A A . 42 VAL CG2 1 1 15 11534 1 1 40 VAL H H 2.939 -6.972 -1.998 1.00 . A A . 42 VAL H 1 1 15 11535 1 1 40 VAL HA H 4.745 -8.552 -3.578 1.00 . A A . 42 VAL HA 1 1 15 11536 1 1 40 VAL HB H 3.689 -8.896 -0.756 1.00 . A A . 42 VAL HB 1 1 15 11537 1 1 40 VAL HG11 H 4.302 -11.090 -1.278 1.00 . A A . 42 VAL HG11 1 1 15 11538 1 1 40 VAL HG12 H 5.825 -10.434 -0.680 1.00 . A A . 42 VAL HG12 1 1 15 11539 1 1 40 VAL HG13 H 5.548 -10.575 -2.415 1.00 . A A . 42 VAL HG13 1 1 15 11540 1 1 40 VAL HG21 H 6.521 -8.443 -1.019 1.00 . A A . 42 VAL HG21 1 1 15 11541 1 1 40 VAL HG22 H 5.316 -7.424 -0.232 1.00 . A A . 42 VAL HG22 1 1 15 11542 1 1 40 VAL HG23 H 5.657 -7.221 -1.950 1.00 . A A . 42 VAL HG23 1 1 15 11543 1 1 40 VAL N N 3.105 -7.436 -2.849 1.00 . A A . 42 VAL N 1 1 15 11544 1 1 40 VAL O O 3.495 -10.800 -3.885 1.00 . A A . 42 VAL O 1 1 15 11545 1 1 41 GLU C C 0.698 -10.773 -5.000 1.00 . A A . 43 GLU C 1 1 15 11546 1 1 41 GLU CA C 0.828 -10.800 -3.480 1.00 . A A . 43 GLU CA 1 1 15 11547 1 1 41 GLU CB C -0.544 -10.562 -2.847 1.00 . A A . 43 GLU CB 1 1 15 11548 1 1 41 GLU CD C -0.296 -11.762 -0.675 1.00 . A A . 43 GLU CD 1 1 15 11549 1 1 41 GLU CG C -0.393 -10.388 -1.336 1.00 . A A . 43 GLU CG 1 1 15 11550 1 1 41 GLU H H 1.420 -8.918 -2.616 1.00 . A A . 43 GLU H 1 1 15 11551 1 1 41 GLU HA H 1.217 -11.757 -3.164 1.00 . A A . 43 GLU HA 1 1 15 11552 1 1 41 GLU HB2 H -0.987 -9.672 -3.271 1.00 . A A . 43 GLU HB2 1 1 15 11553 1 1 41 GLU HB3 H -1.183 -11.409 -3.046 1.00 . A A . 43 GLU HB3 1 1 15 11554 1 1 41 GLU HG2 H 0.505 -9.822 -1.127 1.00 . A A . 43 GLU HG2 1 1 15 11555 1 1 41 GLU HG3 H -1.250 -9.861 -0.945 1.00 . A A . 43 GLU HG3 1 1 15 11556 1 1 41 GLU N N 1.764 -9.719 -3.066 1.00 . A A . 43 GLU N 1 1 15 11557 1 1 41 GLU O O 0.644 -11.797 -5.652 1.00 . A A . 43 GLU O 1 1 15 11558 1 1 41 GLU OE1 O 0.725 -12.406 -0.842 1.00 . A A . 43 GLU OE1 1 1 15 11559 1 1 41 GLU OE2 O -1.248 -12.148 -0.016 1.00 . A A . 43 GLU OE2 1 1 15 11560 1 1 42 SER C C 1.919 -9.712 -7.686 1.00 . A A . 44 SER C 1 1 15 11561 1 1 42 SER CA C 0.541 -9.494 -7.050 1.00 . A A . 44 SER CA 1 1 15 11562 1 1 42 SER CB C 0.022 -8.104 -7.420 1.00 . A A . 44 SER CB 1 1 15 11563 1 1 42 SER H H 0.709 -8.788 -5.022 1.00 . A A . 44 SER H 1 1 15 11564 1 1 42 SER HA H -0.147 -10.245 -7.412 1.00 . A A . 44 SER HA 1 1 15 11565 1 1 42 SER HB2 H -0.467 -8.145 -8.379 1.00 . A A . 44 SER HB2 1 1 15 11566 1 1 42 SER HB3 H -0.688 -7.773 -6.672 1.00 . A A . 44 SER HB3 1 1 15 11567 1 1 42 SER HG H 1.006 -6.665 -8.280 1.00 . A A . 44 SER HG 1 1 15 11568 1 1 42 SER N N 0.657 -9.600 -5.570 1.00 . A A . 44 SER N 1 1 15 11569 1 1 42 SER O O 2.089 -9.563 -8.879 1.00 . A A . 44 SER O 1 1 15 11570 1 1 42 SER OG O 1.114 -7.198 -7.490 1.00 . A A . 44 SER OG 1 1 15 11571 1 1 43 ASN C C 4.984 -8.948 -7.616 1.00 . A A . 45 ASN C 1 1 15 11572 1 1 43 ASN CA C 4.272 -10.290 -7.433 1.00 . A A . 45 ASN CA 1 1 15 11573 1 1 43 ASN CB C 4.182 -11.009 -8.782 1.00 . A A . 45 ASN CB 1 1 15 11574 1 1 43 ASN CG C 5.186 -12.162 -8.815 1.00 . A A . 45 ASN CG 1 1 15 11575 1 1 43 ASN H H 2.737 -10.169 -5.933 1.00 . A A . 45 ASN H 1 1 15 11576 1 1 43 ASN HA H 4.833 -10.899 -6.739 1.00 . A A . 45 ASN HA 1 1 15 11577 1 1 43 ASN HB2 H 3.183 -11.396 -8.917 1.00 . A A . 45 ASN HB2 1 1 15 11578 1 1 43 ASN HB3 H 4.409 -10.312 -9.575 1.00 . A A . 45 ASN HB3 1 1 15 11579 1 1 43 ASN HD21 H 4.348 -13.122 -7.292 1.00 . A A . 45 ASN HD21 1 1 15 11580 1 1 43 ASN HD22 H 5.711 -13.878 -7.966 1.00 . A A . 45 ASN HD22 1 1 15 11581 1 1 43 ASN N N 2.901 -10.059 -6.890 1.00 . A A . 45 ASN N 1 1 15 11582 1 1 43 ASN ND2 N 5.073 -13.135 -7.952 1.00 . A A . 45 ASN ND2 1 1 15 11583 1 1 43 ASN O O 6.145 -8.895 -7.974 1.00 . A A . 45 ASN O 1 1 15 11584 1 1 43 ASN OD1 O 6.084 -12.178 -9.635 1.00 . A A . 45 ASN OD1 1 1 15 11585 1 1 44 GLY C C 4.293 -5.791 -8.707 1.00 . A A . 46 GLY C 1 1 15 11586 1 1 44 GLY CA C 4.940 -6.528 -7.533 1.00 . A A . 46 GLY CA 1 1 15 11587 1 1 44 GLY H H 3.367 -7.927 -7.086 1.00 . A A . 46 GLY H 1 1 15 11588 1 1 44 GLY HA2 H 4.804 -5.955 -6.627 1.00 . A A . 46 GLY HA2 1 1 15 11589 1 1 44 GLY HA3 H 5.995 -6.652 -7.725 1.00 . A A . 46 GLY HA3 1 1 15 11590 1 1 44 GLY N N 4.302 -7.864 -7.372 1.00 . A A . 46 GLY N 1 1 15 11591 1 1 44 GLY O O 4.745 -4.742 -9.118 1.00 . A A . 46 GLY O 1 1 15 11592 1 1 45 THR C C 1.429 -4.774 -9.880 1.00 . A A . 47 THR C 1 1 15 11593 1 1 45 THR CA C 2.562 -5.664 -10.400 1.00 . A A . 47 THR CA 1 1 15 11594 1 1 45 THR CB C 1.988 -6.724 -11.344 1.00 . A A . 47 THR CB 1 1 15 11595 1 1 45 THR CG2 C 3.135 -7.459 -12.042 1.00 . A A . 47 THR CG2 1 1 15 11596 1 1 45 THR H H 2.886 -7.183 -8.906 1.00 . A A . 47 THR H 1 1 15 11597 1 1 45 THR HA H 3.278 -5.057 -10.934 1.00 . A A . 47 THR HA 1 1 15 11598 1 1 45 THR HB H 1.366 -6.249 -12.086 1.00 . A A . 47 THR HB 1 1 15 11599 1 1 45 THR HG1 H 1.056 -8.420 -11.152 1.00 . A A . 47 THR HG1 1 1 15 11600 1 1 45 THR HG21 H 3.615 -6.793 -12.746 1.00 . A A . 47 THR HG21 1 1 15 11601 1 1 45 THR HG22 H 2.745 -8.317 -12.567 1.00 . A A . 47 THR HG22 1 1 15 11602 1 1 45 THR HG23 H 3.856 -7.784 -11.306 1.00 . A A . 47 THR HG23 1 1 15 11603 1 1 45 THR N N 3.236 -6.334 -9.252 1.00 . A A . 47 THR N 1 1 15 11604 1 1 45 THR O O 0.447 -4.539 -10.556 1.00 . A A . 47 THR O 1 1 15 11605 1 1 45 THR OG1 O 1.215 -7.652 -10.597 1.00 . A A . 47 THR OG1 1 1 15 11606 1 1 46 LEU C C 1.073 -1.983 -7.929 1.00 . A A . 48 LEU C 1 1 15 11607 1 1 46 LEU CA C 0.505 -3.389 -8.109 1.00 . A A . 48 LEU CA 1 1 15 11608 1 1 46 LEU CB C 0.064 -3.941 -6.754 1.00 . A A . 48 LEU CB 1 1 15 11609 1 1 46 LEU CD1 C -2.332 -4.411 -7.275 1.00 . A A . 48 LEU CD1 1 1 15 11610 1 1 46 LEU CD2 C -1.671 -3.673 -4.979 1.00 . A A . 48 LEU CD2 1 1 15 11611 1 1 46 LEU CG C -1.379 -3.521 -6.475 1.00 . A A . 48 LEU CG 1 1 15 11612 1 1 46 LEU H H 2.367 -4.471 -8.159 1.00 . A A . 48 LEU H 1 1 15 11613 1 1 46 LEU HA H -0.344 -3.348 -8.777 1.00 . A A . 48 LEU HA 1 1 15 11614 1 1 46 LEU HB2 H 0.129 -5.019 -6.765 1.00 . A A . 48 LEU HB2 1 1 15 11615 1 1 46 LEU HB3 H 0.707 -3.550 -5.980 1.00 . A A . 48 LEU HB3 1 1 15 11616 1 1 46 LEU HD11 H -3.292 -4.447 -6.781 1.00 . A A . 48 LEU HD11 1 1 15 11617 1 1 46 LEU HD12 H -1.922 -5.408 -7.339 1.00 . A A . 48 LEU HD12 1 1 15 11618 1 1 46 LEU HD13 H -2.453 -4.007 -8.269 1.00 . A A . 48 LEU HD13 1 1 15 11619 1 1 46 LEU HD21 H -1.015 -4.423 -4.560 1.00 . A A . 48 LEU HD21 1 1 15 11620 1 1 46 LEU HD22 H -2.698 -3.978 -4.843 1.00 . A A . 48 LEU HD22 1 1 15 11621 1 1 46 LEU HD23 H -1.503 -2.729 -4.483 1.00 . A A . 48 LEU HD23 1 1 15 11622 1 1 46 LEU HG H -1.518 -2.489 -6.769 1.00 . A A . 48 LEU HG 1 1 15 11623 1 1 46 LEU N N 1.563 -4.272 -8.682 1.00 . A A . 48 LEU N 1 1 15 11624 1 1 46 LEU O O 2.248 -1.806 -7.673 1.00 . A A . 48 LEU O 1 1 15 11625 1 1 47 THR C C -0.210 1.211 -7.045 1.00 . A A . 49 THR C 1 1 15 11626 1 1 47 THR CA C 0.756 0.409 -7.909 1.00 . A A . 49 THR CA 1 1 15 11627 1 1 47 THR CB C 0.885 1.062 -9.287 1.00 . A A . 49 THR CB 1 1 15 11628 1 1 47 THR CG2 C 1.598 0.101 -10.240 1.00 . A A . 49 THR CG2 1 1 15 11629 1 1 47 THR H H -0.690 -1.144 -8.278 1.00 . A A . 49 THR H 1 1 15 11630 1 1 47 THR HA H 1.721 0.393 -7.432 1.00 . A A . 49 THR HA 1 1 15 11631 1 1 47 THR HB H 1.462 1.970 -9.202 1.00 . A A . 49 THR HB 1 1 15 11632 1 1 47 THR HG1 H -0.313 2.068 -10.443 1.00 . A A . 49 THR HG1 1 1 15 11633 1 1 47 THR HG21 H 2.595 -0.095 -9.875 1.00 . A A . 49 THR HG21 1 1 15 11634 1 1 47 THR HG22 H 1.655 0.544 -11.224 1.00 . A A . 49 THR HG22 1 1 15 11635 1 1 47 THR HG23 H 1.046 -0.827 -10.295 1.00 . A A . 49 THR HG23 1 1 15 11636 1 1 47 THR N N 0.253 -0.982 -8.066 1.00 . A A . 49 THR N 1 1 15 11637 1 1 47 THR O O -0.893 0.683 -6.193 1.00 . A A . 49 THR O 1 1 15 11638 1 1 47 THR OG1 O -0.407 1.366 -9.793 1.00 . A A . 49 THR OG1 1 1 15 11639 1 1 48 LEU C C -2.141 4.053 -7.401 1.00 . A A . 50 LEU C 1 1 15 11640 1 1 48 LEU CA C -1.160 3.355 -6.458 1.00 . A A . 50 LEU CA 1 1 15 11641 1 1 48 LEU CB C -0.308 4.390 -5.703 1.00 . A A . 50 LEU CB 1 1 15 11642 1 1 48 LEU CD1 C -1.927 5.353 -4.050 1.00 . A A . 50 LEU CD1 1 1 15 11643 1 1 48 LEU CD2 C -0.182 6.807 -5.088 1.00 . A A . 50 LEU CD2 1 1 15 11644 1 1 48 LEU CG C -1.132 5.630 -5.327 1.00 . A A . 50 LEU CG 1 1 15 11645 1 1 48 LEU H H 0.310 2.881 -7.945 1.00 . A A . 50 LEU H 1 1 15 11646 1 1 48 LEU HA H -1.708 2.752 -5.747 1.00 . A A . 50 LEU HA 1 1 15 11647 1 1 48 LEU HB2 H 0.078 3.939 -4.801 1.00 . A A . 50 LEU HB2 1 1 15 11648 1 1 48 LEU HB3 H 0.521 4.693 -6.328 1.00 . A A . 50 LEU HB3 1 1 15 11649 1 1 48 LEU HD11 H -2.684 6.116 -3.924 1.00 . A A . 50 LEU HD11 1 1 15 11650 1 1 48 LEU HD12 H -1.260 5.367 -3.200 1.00 . A A . 50 LEU HD12 1 1 15 11651 1 1 48 LEU HD13 H -2.402 4.386 -4.123 1.00 . A A . 50 LEU HD13 1 1 15 11652 1 1 48 LEU HD21 H 0.402 6.982 -5.979 1.00 . A A . 50 LEU HD21 1 1 15 11653 1 1 48 LEU HD22 H 0.478 6.575 -4.265 1.00 . A A . 50 LEU HD22 1 1 15 11654 1 1 48 LEU HD23 H -0.754 7.691 -4.852 1.00 . A A . 50 LEU HD23 1 1 15 11655 1 1 48 LEU HG H -1.812 5.877 -6.127 1.00 . A A . 50 LEU HG 1 1 15 11656 1 1 48 LEU N N -0.258 2.489 -7.256 1.00 . A A . 50 LEU N 1 1 15 11657 1 1 48 LEU O O -1.865 4.255 -8.567 1.00 . A A . 50 LEU O 1 1 15 11658 1 1 49 SER C C -4.566 6.489 -7.113 1.00 . A A . 51 SER C 1 1 15 11659 1 1 49 SER CA C -4.289 5.122 -7.737 1.00 . A A . 51 SER CA 1 1 15 11660 1 1 49 SER CB C -5.576 4.291 -7.790 1.00 . A A . 51 SER CB 1 1 15 11661 1 1 49 SER H H -3.466 4.259 -5.952 1.00 . A A . 51 SER H 1 1 15 11662 1 1 49 SER HA H -3.899 5.254 -8.737 1.00 . A A . 51 SER HA 1 1 15 11663 1 1 49 SER HB2 H -5.865 4.136 -8.815 1.00 . A A . 51 SER HB2 1 1 15 11664 1 1 49 SER HB3 H -5.399 3.330 -7.323 1.00 . A A . 51 SER HB3 1 1 15 11665 1 1 49 SER HG H -6.770 5.810 -7.563 1.00 . A A . 51 SER HG 1 1 15 11666 1 1 49 SER N N -3.279 4.428 -6.896 1.00 . A A . 51 SER N 1 1 15 11667 1 1 49 SER O O -4.783 7.469 -7.798 1.00 . A A . 51 SER O 1 1 15 11668 1 1 49 SER OG O -6.620 4.976 -7.110 1.00 . A A . 51 SER OG 1 1 15 11669 1 1 50 HIS C C -4.738 7.629 -3.606 1.00 . A A . 52 HIS C 1 1 15 11670 1 1 50 HIS CA C -4.780 7.854 -5.123 1.00 . A A . 52 HIS CA 1 1 15 11671 1 1 50 HIS CB C -6.135 8.446 -5.561 1.00 . A A . 52 HIS CB 1 1 15 11672 1 1 50 HIS CD2 C -7.947 8.502 -3.658 1.00 . A A . 52 HIS CD2 1 1 15 11673 1 1 50 HIS CE1 C -8.760 6.513 -3.933 1.00 . A A . 52 HIS CE1 1 1 15 11674 1 1 50 HIS CG C -7.256 7.930 -4.697 1.00 . A A . 52 HIS CG 1 1 15 11675 1 1 50 HIS H H -4.350 5.755 -5.279 1.00 . A A . 52 HIS H 1 1 15 11676 1 1 50 HIS HA H -3.990 8.540 -5.396 1.00 . A A . 52 HIS HA 1 1 15 11677 1 1 50 HIS HB2 H -6.094 9.520 -5.483 1.00 . A A . 52 HIS HB2 1 1 15 11678 1 1 50 HIS HB3 H -6.326 8.175 -6.590 1.00 . A A . 52 HIS HB3 1 1 15 11679 1 1 50 HIS HD1 H -7.512 5.994 -5.516 1.00 . A A . 52 HIS HD1 1 1 15 11680 1 1 50 HIS HD2 H -7.780 9.496 -3.273 1.00 . A A . 52 HIS HD2 1 1 15 11681 1 1 50 HIS HE1 H -9.356 5.622 -3.820 1.00 . A A . 52 HIS HE1 1 1 15 11682 1 1 50 HIS N N -4.542 6.558 -5.809 1.00 . A A . 52 HIS N 1 1 15 11683 1 1 50 HIS ND1 N -7.790 6.662 -4.855 1.00 . A A . 52 HIS ND1 1 1 15 11684 1 1 50 HIS NE2 N -8.896 7.607 -3.176 1.00 . A A . 52 HIS NE2 1 1 15 11685 1 1 50 HIS O O -5.618 7.025 -3.028 1.00 . A A . 52 HIS O 1 1 15 11686 1 1 51 PHE C C -4.952 8.177 -0.842 1.00 . A A . 53 PHE C 1 1 15 11687 1 1 51 PHE CA C -3.593 7.920 -1.496 1.00 . A A . 53 PHE CA 1 1 15 11688 1 1 51 PHE CB C -2.565 8.909 -0.950 1.00 . A A . 53 PHE CB 1 1 15 11689 1 1 51 PHE CD1 C -0.710 9.001 -2.657 1.00 . A A . 53 PHE CD1 1 1 15 11690 1 1 51 PHE CD2 C -0.379 7.692 -0.643 1.00 . A A . 53 PHE CD2 1 1 15 11691 1 1 51 PHE CE1 C 0.570 8.646 -3.097 1.00 . A A . 53 PHE CE1 1 1 15 11692 1 1 51 PHE CE2 C 0.901 7.338 -1.083 1.00 . A A . 53 PHE CE2 1 1 15 11693 1 1 51 PHE CG C -1.185 8.524 -1.429 1.00 . A A . 53 PHE CG 1 1 15 11694 1 1 51 PHE CZ C 1.376 7.813 -2.310 1.00 . A A . 53 PHE CZ 1 1 15 11695 1 1 51 PHE H H -3.007 8.573 -3.452 1.00 . A A . 53 PHE H 1 1 15 11696 1 1 51 PHE HA H -3.273 6.911 -1.279 1.00 . A A . 53 PHE HA 1 1 15 11697 1 1 51 PHE HB2 H -2.802 9.903 -1.297 1.00 . A A . 53 PHE HB2 1 1 15 11698 1 1 51 PHE HB3 H -2.588 8.890 0.124 1.00 . A A . 53 PHE HB3 1 1 15 11699 1 1 51 PHE HD1 H -1.331 9.643 -3.264 1.00 . A A . 53 PHE HD1 1 1 15 11700 1 1 51 PHE HD2 H -0.745 7.325 0.305 1.00 . A A . 53 PHE HD2 1 1 15 11701 1 1 51 PHE HE1 H 0.937 9.013 -4.044 1.00 . A A . 53 PHE HE1 1 1 15 11702 1 1 51 PHE HE2 H 1.522 6.696 -0.477 1.00 . A A . 53 PHE HE2 1 1 15 11703 1 1 51 PHE HZ H 2.362 7.540 -2.651 1.00 . A A . 53 PHE HZ 1 1 15 11704 1 1 51 PHE N N -3.709 8.102 -2.965 1.00 . A A . 53 PHE N 1 1 15 11705 1 1 51 PHE O O -5.315 9.300 -0.554 1.00 . A A . 53 PHE O 1 1 15 11706 1 1 52 GLY C C -7.871 6.043 -0.211 1.00 . A A . 54 GLY C 1 1 15 11707 1 1 52 GLY CA C -7.047 7.312 0.014 1.00 . A A . 54 GLY CA 1 1 15 11708 1 1 52 GLY H H -5.396 6.245 -0.858 1.00 . A A . 54 GLY H 1 1 15 11709 1 1 52 GLY HA2 H -6.929 7.486 1.075 1.00 . A A . 54 GLY HA2 1 1 15 11710 1 1 52 GLY HA3 H -7.553 8.151 -0.436 1.00 . A A . 54 GLY HA3 1 1 15 11711 1 1 52 GLY N N -5.707 7.140 -0.612 1.00 . A A . 54 GLY N 1 1 15 11712 1 1 52 GLY O O -7.447 5.133 -0.896 1.00 . A A . 54 GLY O 1 1 15 11713 1 1 53 LYS C C -10.583 4.828 -1.189 1.00 . A A . 55 LYS C 1 1 15 11714 1 1 53 LYS CA C -9.879 4.754 0.167 1.00 . A A . 55 LYS CA 1 1 15 11715 1 1 53 LYS CB C -10.923 4.673 1.283 1.00 . A A . 55 LYS CB 1 1 15 11716 1 1 53 LYS CD C -12.991 5.734 2.200 1.00 . A A . 55 LYS CD 1 1 15 11717 1 1 53 LYS CE C -13.102 6.951 3.121 1.00 . A A . 55 LYS CE 1 1 15 11718 1 1 53 LYS CG C -11.811 5.917 1.244 1.00 . A A . 55 LYS CG 1 1 15 11719 1 1 53 LYS H H -9.370 6.714 0.907 1.00 . A A . 55 LYS H 1 1 15 11720 1 1 53 LYS HA H -9.247 3.877 0.196 1.00 . A A . 55 LYS HA 1 1 15 11721 1 1 53 LYS HB2 H -11.531 3.790 1.140 1.00 . A A . 55 LYS HB2 1 1 15 11722 1 1 53 LYS HB3 H -10.425 4.616 2.239 1.00 . A A . 55 LYS HB3 1 1 15 11723 1 1 53 LYS HD2 H -13.904 5.628 1.630 1.00 . A A . 55 LYS HD2 1 1 15 11724 1 1 53 LYS HD3 H -12.836 4.847 2.796 1.00 . A A . 55 LYS HD3 1 1 15 11725 1 1 53 LYS HE2 H -12.798 6.674 4.120 1.00 . A A . 55 LYS HE2 1 1 15 11726 1 1 53 LYS HE3 H -12.461 7.740 2.755 1.00 . A A . 55 LYS HE3 1 1 15 11727 1 1 53 LYS HG2 H -11.234 6.780 1.543 1.00 . A A . 55 LYS HG2 1 1 15 11728 1 1 53 LYS HG3 H -12.183 6.063 0.241 1.00 . A A . 55 LYS HG3 1 1 15 11729 1 1 53 LYS HZ1 H -14.812 7.577 4.130 1.00 . A A . 55 LYS HZ1 1 1 15 11730 1 1 53 LYS HZ2 H -15.127 6.718 2.699 1.00 . A A . 55 LYS HZ2 1 1 15 11731 1 1 53 LYS HZ3 H -14.586 8.326 2.627 1.00 . A A . 55 LYS HZ3 1 1 15 11732 1 1 53 LYS N N -9.042 5.971 0.356 1.00 . A A . 55 LYS N 1 1 15 11733 1 1 53 LYS NZ N -14.513 7.429 3.147 1.00 . A A . 55 LYS NZ 1 1 15 11734 1 1 53 LYS O O -10.818 5.894 -1.721 1.00 . A A . 55 LYS O 1 1 15 11735 1 1 54 CYS C C -13.113 3.721 -2.869 1.00 . A A . 56 CYS C 1 1 15 11736 1 1 54 CYS CA C -11.597 3.701 -3.076 1.00 . A A . 56 CYS CA 1 1 15 11737 1 1 54 CYS CB C -11.202 2.441 -3.853 1.00 . A A . 56 CYS CB 1 1 15 11738 1 1 54 CYS H H -10.713 2.850 -1.308 1.00 . A A . 56 CYS H 1 1 15 11739 1 1 54 CYS HA H -11.299 4.575 -3.634 1.00 . A A . 56 CYS HA 1 1 15 11740 1 1 54 CYS HB2 H -11.828 1.617 -3.545 1.00 . A A . 56 CYS HB2 1 1 15 11741 1 1 54 CYS HB3 H -11.334 2.615 -4.913 1.00 . A A . 56 CYS HB3 1 1 15 11742 1 1 54 CYS N N -10.916 3.700 -1.753 1.00 . A A . 56 CYS N 1 1 15 11743 1 1 54 CYS O O -13.546 3.400 -1.775 1.00 . A A . 56 CYS O 1 1 15 11744 1 1 54 CYS OXT O -13.817 4.056 -3.810 1.00 . A A . 56 CYS OXT 1 1 15 11745 1 1 54 CYS SG S -9.467 2.038 -3.523 1.00 . A A . 56 CYS SG 1 1 stop_ save_
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