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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | item_count |
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369709 |
1bf9 ![]() ![]() |
cing | recoord | dress | 4-filtered-FRED | STAR | entry | full | 431 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1bf9 # This FRED archive file contains, for PDB entry <1bf9>: # # - 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_1bf9 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1bf9 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 4420.77 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 $FACTOR_VII A . 1 1 stop_ save_ save_FACTOR_VII _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "FACTOR VII" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code SDGDQCASSPCQNGGSCKDQLQSYICFCLPAFEGRNCETHK _Entity.Number_of_monomers 41 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 SER . 1 1 2 ASP . 1 1 3 GLY . 1 1 4 ASP . 1 1 5 GLN . 1 1 6 CYS . 1 1 7 ALA . 1 1 8 SER . 1 1 9 SER . 1 1 10 PRO . 1 1 11 CYS . 1 1 12 GLN . 1 1 13 ASN . 1 1 14 GLY . 1 1 15 GLY . 1 1 16 SER . 1 1 17 CYS . 1 1 18 LYS . 1 1 19 ASP . 1 1 20 GLN . 1 1 21 LEU . 1 1 22 GLN . 1 1 23 SER . 1 1 24 TYR . 1 1 25 ILE . 1 1 26 CYS . 1 1 27 PHE . 1 1 28 CYS . 1 1 29 LEU . 1 1 30 PRO . 1 1 31 ALA . 1 1 32 PHE . 1 1 33 GLU . 1 1 34 GLY . 1 1 35 ARG . 1 1 36 ASN . 1 1 37 CYS . 1 1 38 GLU . 1 1 39 THR . 1 1 40 HIS . 1 1 41 LYS . 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 SER 1 1 1 1 ASP 2 2 1 1 GLY 3 3 1 1 ASP 4 4 1 1 GLN 5 5 1 1 CYS 6 6 1 1 ALA 7 7 1 1 SER 8 8 1 1 SER 9 9 1 1 PRO 10 10 1 1 CYS 11 11 1 1 GLN 12 12 1 1 ASN 13 13 1 1 GLY 14 14 1 1 GLY 15 15 1 1 SER 16 16 1 1 CYS 17 17 1 1 LYS 18 18 1 1 ASP 19 19 1 1 GLN 20 20 1 1 LEU 21 21 1 1 GLN 22 22 1 1 SER 23 23 1 1 TYR 24 24 1 1 ILE 25 25 1 1 CYS 26 26 1 1 PHE 27 27 1 1 CYS 28 28 1 1 LEU 29 29 1 1 PRO 30 30 1 1 ALA 31 31 1 1 PHE 32 32 1 1 GLU 33 33 1 1 GLY 34 34 1 1 ARG 35 35 1 1 ASN 36 36 1 1 CYS 37 37 1 1 GLU 38 38 1 1 THR 39 39 1 1 HIS 40 40 1 1 LYS 41 41 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 332 1 . . . 1 1 333 1 . . . 1 1 334 1 . . . 1 1 335 1 . . . 1 1 336 1 . . . 1 1 337 1 . . . 1 1 338 1 . . . 1 1 339 1 . . . 1 1 340 1 . . . 1 1 341 1 . . . 1 1 342 1 . . . 1 1 343 1 . . . 1 1 344 1 . . . 1 1 345 1 . . . 1 1 346 1 . . . 1 1 347 1 . . . 1 1 348 1 . . . 1 1 349 1 . . . 1 1 350 1 . . . 1 1 351 1 . . . 1 1 352 1 . . . 1 1 353 1 . . . 1 1 354 1 . . . 1 1 355 1 . . . 1 1 356 1 . . . 1 1 357 1 . . . 1 1 358 1 . . . 1 1 359 1 . . . 1 1 360 1 . . . 1 1 361 1 . . . 1 1 362 1 . . . 1 1 363 1 . . . 1 1 364 1 . . . 1 1 365 1 . . . 1 1 366 1 . . . 1 1 367 1 . . . 1 1 368 1 . . . 1 1 369 1 . . . 1 1 370 1 . . . 1 1 371 1 . . . 1 1 372 1 . . . 1 1 373 1 . . . 1 1 374 1 . . . 1 1 375 1 . . . 1 1 376 1 . . . 1 1 377 1 . . . 1 1 378 1 . . . 1 1 379 1 . . . 1 1 380 1 . . . 1 1 381 1 . . . 1 1 382 1 . . . 1 1 383 1 . . . 1 1 384 1 . . . 1 1 385 1 . . . 1 1 386 1 . . . 1 1 387 1 . . . 1 1 388 1 . . . 1 1 389 1 . . . 1 1 390 1 . . . 1 1 391 1 . . . 1 1 392 1 . . . 1 1 393 1 . . . 1 1 394 1 . . . 1 1 395 1 . . . 1 1 396 1 . . . 1 1 397 1 . . . 1 1 398 1 . . . 1 1 399 1 . . . 1 1 400 1 . . . 1 1 401 1 . . . 1 1 402 1 . . . 1 1 403 1 . . . 1 1 404 1 . . . 1 1 405 1 . . . 1 1 406 1 . . . 1 1 407 1 . . . 1 1 408 1 . . . 1 1 409 1 . . . 1 1 410 1 . . . 1 1 411 1 . . . 1 1 412 1 . . . 1 1 413 1 . . . 1 1 414 1 . . . 1 1 415 1 . . . 1 1 416 1 . . . 1 1 417 1 . . . 1 1 418 1 . . . 1 1 419 1 . . . 1 1 420 1 . . . 1 1 421 1 . . . 1 1 422 1 . . . 1 1 423 1 . . . 1 1 424 1 . . . 1 1 425 1 . . . 1 1 426 1 . . . 1 1 427 1 . . . 1 1 428 1 . . . 1 1 429 1 . . . 1 1 430 1 . . . 1 1 431 1 . . . 1 1 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 ASP HA . 46 . HA 1 1 1 1 2 1 1 3 GLY H . 47 . HN 1 1 2 1 1 1 1 3 GLY H . 47 . HN 1 1 2 1 2 1 1 4 ASP H . 48 . HN 1 1 3 1 1 1 1 3 GLY H . 47 . HN 1 1 3 1 1 1 1 41 LYS H . 85 . HN 1 1 3 1 2 1 1 4 ASP QB . 48 . HB# 1 1 3 1 2 1 1 32 PHE HB2 . 76 . HB2 1 1 4 1 1 1 1 3 GLY QA . 47 . HA# 1 1 4 1 2 1 1 4 ASP H . 48 . HN 1 1 5 1 1 1 1 4 ASP H . 48 . HN 1 1 5 1 2 1 1 4 ASP QB . 48 . HB# 1 1 6 1 1 1 1 4 ASP H . 48 . HN 1 1 6 1 2 1 1 5 GLN H . 49 . HN 1 1 7 1 1 1 1 4 ASP HA . 48 . HA 1 1 7 1 2 1 1 5 GLN H . 49 . HN 1 1 8 1 1 1 1 4 ASP QB . 48 . HB# 1 1 8 1 2 1 1 5 GLN H . 49 . HN 1 1 9 1 1 1 1 4 ASP QB . 48 . HB# 1 1 9 1 2 1 1 6 CYS H . 50 . HN 1 1 10 1 1 1 1 4 ASP QB . 48 . HB# 1 1 10 1 2 1 1 7 ALA MB . 51 . HB# 1 1 11 1 1 1 1 5 GLN H . 49 . HN 1 1 11 1 2 1 1 5 GLN HA . 49 . HA 1 1 12 1 1 1 1 5 GLN H . 49 . HN 1 1 12 1 2 1 1 5 GLN HB2 . 49 . HB2 1 1 13 1 1 1 1 5 GLN H . 49 . HN 1 1 13 1 2 1 1 5 GLN HB3 . 49 . HB3 1 1 14 1 1 1 1 5 GLN H . 49 . HN 1 1 14 1 2 1 1 5 GLN HE22 . 49 . HE21 1 1 15 1 1 1 1 5 GLN H . 49 . HN 1 1 15 1 2 1 1 5 GLN QG . 49 . HG# 1 1 16 1 1 1 1 5 GLN H . 49 . HN 1 1 16 1 2 1 1 6 CYS H . 50 . HN 1 1 17 1 1 1 1 5 GLN HA . 49 . HA 1 1 17 1 2 1 1 5 GLN HB2 . 49 . HB2 1 1 18 1 1 1 1 5 GLN HA . 49 . HA 1 1 18 1 2 1 1 5 GLN HB3 . 49 . HB3 1 1 19 1 1 1 1 5 GLN HA . 49 . HA 1 1 19 1 2 1 1 5 GLN HE21 . 49 . HE22 1 1 20 1 1 1 1 5 GLN HA . 49 . HA 1 1 20 1 1 1 1 12 GLN HA . 56 . HA 1 1 20 1 2 1 1 5 GLN QG . 49 . HG# 1 1 20 1 2 1 1 12 GLN QG . 56 . HG# 1 1 21 1 1 1 1 5 GLN HA . 49 . HA 1 1 21 1 2 1 1 24 TYR QR . 68 . HD# 1 1 22 1 1 1 1 5 GLN HB2 . 49 . HB2 1 1 22 1 2 1 1 5 GLN HE22 . 49 . HE21 1 1 23 1 1 1 1 5 GLN HB2 . 49 . HB2 1 1 23 1 2 1 1 6 CYS H . 50 . HN 1 1 24 1 1 1 1 5 GLN HB2 . 49 . HB2 1 1 24 1 2 1 1 24 TYR HB2 . 68 . HB2 1 1 25 1 1 1 1 5 GLN HB2 . 49 . HB2 1 1 25 1 2 1 1 24 TYR HB3 . 68 . HB3 1 1 26 1 1 1 1 5 GLN HB2 . 49 . HB2 1 1 26 1 2 1 1 24 TYR QD . 68 . HD# 1 1 27 1 1 1 1 5 GLN HB3 . 49 . HB3 1 1 27 1 2 1 1 5 GLN HE21 . 49 . HE22 1 1 28 1 1 1 1 5 GLN HB3 . 49 . HB3 1 1 28 1 2 1 1 6 CYS H . 50 . HN 1 1 29 1 1 1 1 5 GLN HB3 . 49 . HB3 1 1 29 1 1 1 1 11 CYS HB3 . 55 . HB3 1 1 29 1 2 1 1 24 TYR HB3 . 68 . HB3 1 1 29 1 2 1 1 26 CYS HB3 . 70 . HB3 1 1 30 1 1 1 1 5 GLN HB3 . 49 . HB3 1 1 30 1 2 1 1 24 TYR HA . 68 . HA 1 1 31 1 1 1 1 5 GLN HB3 . 49 . HB3 1 1 31 1 2 1 1 24 TYR HB2 . 68 . HB2 1 1 32 1 1 1 1 5 GLN HB3 . 49 . HB3 1 1 32 1 2 1 1 24 TYR QD . 68 . HD# 1 1 33 1 1 1 1 5 GLN HE21 . 49 . HE22 1 1 33 1 2 1 1 5 GLN QG . 49 . HG# 1 1 34 1 1 1 1 5 GLN QG . 49 . HG# 1 1 34 1 2 1 1 6 CYS H . 50 . HN 1 1 35 1 1 1 1 5 GLN QG . 49 . HG# 1 1 35 1 2 1 1 24 TYR QD . 68 . HD# 1 1 36 1 1 1 1 6 CYS H . 50 . HN 1 1 36 1 2 1 1 6 CYS HA . 50 . HA 1 1 37 1 1 1 1 6 CYS H . 50 . HN 1 1 37 1 2 1 1 6 CYS QB . 50 . HB# 1 1 38 1 1 1 1 6 CYS HA . 50 . HA 1 1 38 1 2 1 1 6 CYS QB . 50 . HB# 1 1 39 1 1 1 1 6 CYS HA . 50 . HA 1 1 39 1 2 1 1 7 ALA H . 51 . HN 1 1 40 1 1 1 1 6 CYS HA . 50 . HA 1 1 40 1 2 1 1 8 SER H . 52 . HN 1 1 41 1 1 1 1 6 CYS HA . 50 . HA 1 1 41 1 2 1 1 9 SER H . 53 . HN 1 1 42 1 1 1 1 6 CYS HA . 50 . HA 1 1 42 1 2 1 1 10 PRO QD . 54 . HD# 1 1 43 1 1 1 1 6 CYS HA . 50 . HA 1 1 43 1 2 1 1 10 PRO QG . 54 . HG# 1 1 44 1 1 1 1 6 CYS QB . 50 . HB# 1 1 44 1 2 1 1 7 ALA H . 51 . HN 1 1 45 1 1 1 1 7 ALA H . 51 . HN 1 1 45 1 2 1 1 7 ALA HA . 51 . HA 1 1 46 1 1 1 1 7 ALA H . 51 . HN 1 1 46 1 2 1 1 7 ALA MB . 51 . HB# 1 1 47 1 1 1 1 7 ALA H . 51 . HN 1 1 47 1 2 1 1 8 SER H . 52 . HN 1 1 48 1 1 1 1 7 ALA H . 51 . HN 1 1 48 1 1 1 1 32 PHE H . 76 . HN 1 1 48 1 2 1 1 10 PRO QD . 54 . HD# 1 1 48 1 2 1 1 28 CYS HB3 . 72 . HB3 1 1 49 1 1 1 1 7 ALA HA . 51 . HA 1 1 49 1 2 1 1 7 ALA MB . 51 . HB# 1 1 50 1 1 1 1 7 ALA HA . 51 . HA 1 1 50 1 2 1 1 8 SER H . 52 . HN 1 1 51 1 1 1 1 7 ALA MB . 51 . HB# 1 1 51 1 2 1 1 8 SER H . 52 . HN 1 1 52 1 1 1 1 8 SER H . 52 . HN 1 1 52 1 2 1 1 8 SER QB . 52 . HB# 1 1 53 1 1 1 1 8 SER H . 52 . HN 1 1 53 1 2 1 1 9 SER H . 53 . HN 1 1 54 1 1 1 1 8 SER H . 52 . HN 1 1 54 1 2 1 1 10 PRO QD . 54 . HD# 1 1 55 1 1 1 1 8 SER HA . 52 . HA 1 1 55 1 2 1 1 9 SER H . 53 . HN 1 1 56 1 1 1 1 9 SER H . 53 . HN 1 1 56 1 2 1 1 9 SER HA . 53 . HA 1 1 57 1 1 1 1 9 SER H . 53 . HN 1 1 57 1 2 1 1 9 SER QB . 53 . HB# 1 1 58 1 1 1 1 9 SER H . 53 . HN 1 1 58 1 2 1 1 10 PRO QD . 54 . HD# 1 1 59 1 1 1 1 9 SER HA . 53 . HA 1 1 59 1 2 1 1 10 PRO QD . 54 . HD# 1 1 60 1 1 1 1 10 PRO HA . 54 . HA 1 1 60 1 2 1 1 10 PRO HB3 . 54 . HB3 1 1 61 1 1 1 1 10 PRO HA . 54 . HA 1 1 61 1 2 1 1 10 PRO QD . 54 . HD# 1 1 62 1 1 1 1 10 PRO HA . 54 . HA 1 1 62 1 2 1 1 11 CYS H . 55 . HN 1 1 63 1 1 1 1 10 PRO HB2 . 54 . HB2 1 1 63 1 2 1 1 11 CYS H . 55 . HN 1 1 64 1 1 1 1 10 PRO HB2 . 54 . HB2 1 1 64 1 2 1 1 24 TYR QE . 68 . HE# 1 1 65 1 1 1 1 10 PRO HB2 . 54 . HB2 1 1 65 1 2 1 1 36 ASN HD21 . 80 . HD22 1 1 66 1 1 1 1 10 PRO HB2 . 54 . HB2 1 1 66 1 2 1 1 36 ASN HD22 . 80 . HD21 1 1 67 1 1 1 1 10 PRO HB3 . 54 . HB3 1 1 67 1 2 1 1 10 PRO QD . 54 . HD# 1 1 68 1 1 1 1 10 PRO HB3 . 54 . HB3 1 1 68 1 2 1 1 11 CYS H . 55 . HN 1 1 69 1 1 1 1 10 PRO HB3 . 54 . HB3 1 1 69 1 2 1 1 24 TYR QE . 68 . HE# 1 1 70 1 1 1 1 10 PRO QD . 54 . HD# 1 1 70 1 2 1 1 17 CYS QB . 61 . HB# 1 1 71 1 1 1 1 10 PRO QD . 54 . HD# 1 1 71 1 2 1 1 24 TYR QE . 68 . HE# 1 1 72 1 1 1 1 10 PRO QG . 54 . HG# 1 1 72 1 2 1 1 11 CYS H . 55 . HN 1 1 73 1 1 1 1 10 PRO QG . 54 . HG# 1 1 73 1 2 1 1 24 TYR HB2 . 68 . HB2 1 1 74 1 1 1 1 10 PRO QG . 54 . HG# 1 1 74 1 2 1 1 24 TYR QR . 68 . HD# 1 1 75 1 1 1 1 11 CYS H . 55 . HN 1 1 75 1 2 1 1 11 CYS HB2 . 55 . HB2 1 1 76 1 1 1 1 11 CYS H . 55 . HN 1 1 76 1 2 1 1 11 CYS HB3 . 55 . HB3 1 1 77 1 1 1 1 11 CYS H . 55 . HN 1 1 77 1 2 1 1 17 CYS QB . 61 . HB# 1 1 78 1 1 1 1 11 CYS HA . 55 . HA 1 1 78 1 2 1 1 11 CYS HB2 . 55 . HB2 1 1 79 1 1 1 1 11 CYS HA . 55 . HA 1 1 79 1 2 1 1 12 GLN H . 56 . HN 1 1 80 1 1 1 1 11 CYS HA . 55 . HA 1 1 80 1 2 1 1 26 CYS HB3 . 70 . HB3 1 1 81 1 1 1 1 11 CYS HA . 55 . HA 1 1 81 1 2 1 1 36 ASN HA . 80 . HA 1 1 82 1 1 1 1 11 CYS HA . 55 . HA 1 1 82 1 2 1 1 36 ASN QB . 80 . HB# 1 1 83 1 1 1 1 11 CYS HB2 . 55 . HB2 1 1 83 1 2 1 1 12 GLN H . 56 . HN 1 1 84 1 1 1 1 11 CYS HB2 . 55 . HB2 1 1 84 1 2 1 1 15 GLY HA3 . 59 . HA3 1 1 85 1 1 1 1 11 CYS HB2 . 55 . HB2 1 1 85 1 2 1 1 26 CYS HB2 . 70 . HB2 1 1 86 1 1 1 1 11 CYS HB3 . 55 . HB3 1 1 86 1 2 1 1 12 GLN H . 56 . HN 1 1 87 1 1 1 1 11 CYS HB3 . 55 . HB3 1 1 87 1 2 1 1 15 GLY HA2 . 59 . HA2 1 1 88 1 1 1 1 11 CYS HB3 . 55 . HB3 1 1 88 1 2 1 1 15 GLY HA3 . 59 . HA3 1 1 89 1 1 1 1 11 CYS HB3 . 55 . HB3 1 1 89 1 2 1 1 26 CYS HA . 70 . HA 1 1 90 1 1 1 1 11 CYS HB3 . 55 . HB3 1 1 90 1 2 1 1 26 CYS HB2 . 70 . HB2 1 1 91 1 1 1 1 12 GLN H . 56 . HN 1 1 91 1 2 1 1 12 GLN HA . 56 . HA 1 1 92 1 1 1 1 12 GLN H . 56 . HN 1 1 92 1 2 1 1 12 GLN QG . 56 . HG# 1 1 93 1 1 1 1 12 GLN H . 56 . HN 1 1 93 1 2 1 1 15 GLY H . 59 . HN 1 1 94 1 1 1 1 12 GLN H . 56 . HN 1 1 94 1 2 1 1 36 ASN HA . 80 . HA 1 1 95 1 1 1 1 12 GLN H . 56 . HN 1 1 95 1 2 1 1 37 CYS QB . 81 . HB# 1 1 96 1 1 1 1 12 GLN HA . 56 . HA 1 1 96 1 2 1 1 12 GLN HB2 . 56 . HB2 1 1 97 1 1 1 1 12 GLN HA . 56 . HA 1 1 97 1 2 1 1 12 GLN HB3 . 56 . HB3 1 1 98 1 1 1 1 12 GLN HA . 56 . HA 1 1 98 1 2 1 1 12 GLN HE21 . 56 . HE22 1 1 99 1 1 1 1 12 GLN HA . 56 . HA 1 1 99 1 2 1 1 13 ASN H . 57 . HN 1 1 100 1 1 1 1 12 GLN HA . 56 . HA 1 1 100 1 2 1 1 14 GLY H . 58 . HN 1 1 101 1 1 1 1 12 GLN HB2 . 56 . HB2 1 1 101 1 2 1 1 12 GLN QG . 56 . HG# 1 1 102 1 1 1 1 12 GLN HB2 . 56 . HB2 1 1 102 1 2 1 1 13 ASN H . 57 . HN 1 1 103 1 1 1 1 12 GLN HB2 . 56 . HB2 1 1 103 1 2 1 1 13 ASN HD22 . 57 . HD21 1 1 104 1 1 1 1 12 GLN HB2 . 56 . HB2 1 1 104 1 2 1 1 37 CYS QB . 81 . HB# 1 1 105 1 1 1 1 12 GLN HB3 . 56 . HB3 1 1 105 1 2 1 1 13 ASN H . 57 . HN 1 1 106 1 1 1 1 12 GLN HB3 . 56 . HB3 1 1 106 1 2 1 1 13 ASN HD22 . 57 . HD21 1 1 107 1 1 1 1 12 GLN HE21 . 56 . HE22 1 1 107 1 2 1 1 12 GLN QG . 56 . HG# 1 1 108 1 1 1 1 12 GLN HE21 . 56 . HE22 1 1 108 1 2 1 1 36 ASN QB . 80 . HB# 1 1 108 1 2 1 1 37 CYS QB . 81 . HB# 1 1 109 1 1 1 1 12 GLN HE22 . 56 . HE21 1 1 109 1 2 1 1 12 GLN QG . 56 . HG# 1 1 110 1 1 1 1 12 GLN HE22 . 56 . HE21 1 1 110 1 2 1 1 38 GLU HB2 . 82 . HB2 1 1 111 1 1 1 1 12 GLN HE22 . 56 . HE21 1 1 111 1 2 1 1 38 GLU HB3 . 82 . HB3 1 1 112 1 1 1 1 12 GLN QG . 56 . HG# 1 1 112 1 2 1 1 13 ASN H . 57 . HN 1 1 113 1 1 1 1 13 ASN H . 57 . HN 1 1 113 1 2 1 1 13 ASN QB . 57 . HB# 1 1 114 1 1 1 1 13 ASN H . 57 . HN 1 1 114 1 2 1 1 13 ASN HD21 . 57 . HD22 1 1 115 1 1 1 1 13 ASN H . 57 . HN 1 1 115 1 2 1 1 14 GLY H . 58 . HN 1 1 116 1 1 1 1 13 ASN HA . 57 . HA 1 1 116 1 2 1 1 13 ASN QB . 57 . HB# 1 1 117 1 1 1 1 13 ASN HA . 57 . HA 1 1 117 1 2 1 1 13 ASN HD21 . 57 . HD22 1 1 118 1 1 1 1 13 ASN HA . 57 . HA 1 1 118 1 2 1 1 13 ASN HD22 . 57 . HD21 1 1 119 1 1 1 1 13 ASN HA . 57 . HA 1 1 119 1 2 1 1 14 GLY H . 58 . HN 1 1 120 1 1 1 1 13 ASN QB . 57 . HB# 1 1 120 1 2 1 1 13 ASN HD21 . 57 . HD22 1 1 121 1 1 1 1 13 ASN QB . 57 . HB# 1 1 121 1 2 1 1 13 ASN HD22 . 57 . HD21 1 1 122 1 1 1 1 13 ASN QB . 57 . HB# 1 1 122 1 2 1 1 14 GLY H . 58 . HN 1 1 123 1 1 1 1 13 ASN QB . 57 . HB# 1 1 123 1 1 1 1 29 LEU QD . 73 . HD# 1 1 123 1 2 1 1 15 GLY HA3 . 59 . HA3 1 1 124 1 1 1 1 13 ASN QB . 57 . HB# 1 1 124 1 2 1 1 32 PHE HB3 . 76 . HB3 1 1 125 1 1 1 1 13 ASN QB . 57 . HB# 1 1 125 1 2 1 1 37 CYS QB . 81 . HB# 1 1 126 1 1 1 1 13 ASN HD21 . 57 . HD22 1 1 126 1 2 1 1 32 PHE QD . 76 . HD# 1 1 127 1 1 1 1 14 GLY H . 58 . HN 1 1 127 1 2 1 1 14 GLY QA . 58 . HA# 1 1 128 1 1 1 1 14 GLY H . 58 . HN 1 1 128 1 2 1 1 15 GLY H . 59 . HN 1 1 129 1 1 1 1 14 GLY QA . 58 . HA# 1 1 129 1 2 1 1 15 GLY H . 59 . HN 1 1 130 1 1 1 1 14 GLY QA . 58 . HA# 1 1 130 1 2 1 1 29 LEU MD1 . 73 . HD1# 1 1 131 1 1 1 1 14 GLY QA . 58 . HA# 1 1 131 1 2 1 1 29 LEU HG . 73 . HG 1 1 132 1 1 1 1 15 GLY H . 59 . HN 1 1 132 1 2 1 1 15 GLY HA3 . 59 . HA3 1 1 133 1 1 1 1 15 GLY HA2 . 59 . HA2 1 1 133 1 2 1 1 16 SER H . 60 . HN 1 1 134 1 1 1 1 15 GLY HA2 . 59 . HA2 1 1 134 1 2 1 1 29 LEU HG . 73 . HG 1 1 135 1 1 1 1 15 GLY HA3 . 59 . HA3 1 1 135 1 2 1 1 16 SER H . 60 . HN 1 1 136 1 1 1 1 15 GLY HA3 . 59 . HA3 1 1 136 1 2 1 1 16 SER HA . 60 . HA 1 1 136 1 2 1 1 28 CYS HA . 72 . HA 1 1 137 1 1 1 1 15 GLY HA3 . 59 . HA3 1 1 137 1 2 1 1 28 CYS HB2 . 72 . HB2 1 1 138 1 1 1 1 15 GLY HA3 . 59 . HA3 1 1 138 1 2 1 1 29 LEU HG . 73 . HG 1 1 139 1 1 1 1 16 SER H . 60 . HN 1 1 139 1 2 1 1 16 SER QB . 60 . HB# 1 1 140 1 1 1 1 16 SER H . 60 . HN 1 1 140 1 1 1 1 29 LEU H . 73 . HN 1 1 140 1 2 1 1 17 CYS H . 61 . HN 1 1 140 1 2 1 1 28 CYS H . 72 . HN 1 1 141 1 1 1 1 16 SER H . 60 . HN 1 1 141 1 2 1 1 27 PHE H . 71 . HN 1 1 142 1 1 1 1 16 SER H . 60 . HN 1 1 142 1 2 1 1 27 PHE HB2 . 71 . HB2 1 1 143 1 1 1 1 16 SER H . 60 . HN 1 1 143 1 2 1 1 27 PHE HB3 . 71 . HB3 1 1 144 1 1 1 1 16 SER QB . 60 . HB# 1 1 144 1 2 1 1 17 CYS H . 61 . HN 1 1 145 1 1 1 1 16 SER QB . 60 . HB# 1 1 145 1 2 1 1 27 PHE H . 71 . HN 1 1 146 1 1 1 1 16 SER QB . 60 . HB# 1 1 146 1 2 1 1 27 PHE HB2 . 71 . HB2 1 1 147 1 1 1 1 16 SER QB . 60 . HB# 1 1 147 1 2 1 1 27 PHE HB3 . 71 . HB3 1 1 148 1 1 1 1 16 SER QB . 60 . HB# 1 1 148 1 2 1 1 27 PHE QD . 71 . HD# 1 1 149 1 1 1 1 16 SER O . 60 . O 1 1 149 1 2 1 1 27 PHE H . 71 . HN 1 1 150 1 1 1 1 16 SER O . 60 . O 1 1 150 1 2 1 1 27 PHE N . 71 . N 1 1 151 1 1 1 1 17 CYS H . 61 . HN 1 1 151 1 2 1 1 17 CYS QB . 61 . HB# 1 1 152 1 1 1 1 17 CYS HA . 61 . HA 1 1 152 1 2 1 1 17 CYS QB . 61 . HB# 1 1 153 1 1 1 1 17 CYS HA . 61 . HA 1 1 153 1 2 1 1 18 LYS H . 62 . HN 1 1 154 1 1 1 1 17 CYS HA . 61 . HA 1 1 154 1 2 1 1 26 CYS HA . 70 . HA 1 1 155 1 1 1 1 17 CYS HA . 61 . HA 1 1 155 1 2 1 1 26 CYS HB3 . 70 . HB3 1 1 156 1 1 1 1 17 CYS HA . 61 . HA 1 1 156 1 2 1 1 27 PHE H . 71 . HN 1 1 157 1 1 1 1 17 CYS QB . 61 . HB# 1 1 157 1 1 1 1 26 CYS HB2 . 70 . HB2 1 1 157 1 2 1 1 18 LYS H . 62 . HN 1 1 158 1 1 1 1 17 CYS QB . 61 . HB# 1 1 158 1 1 1 1 26 CYS HB2 . 70 . HB2 1 1 158 1 2 1 1 24 TYR QR . 68 . HD# 1 1 159 1 1 1 1 18 LYS H . 62 . HN 1 1 159 1 2 1 1 18 LYS QB . 62 . HB# 1 1 160 1 1 1 1 18 LYS H . 62 . HN 1 1 160 1 2 1 1 18 LYS QD . 62 . HD# 1 1 161 1 1 1 1 18 LYS H . 62 . HN 1 1 161 1 2 1 1 18 LYS QG . 62 . HG# 1 1 162 1 1 1 1 18 LYS H . 62 . HN 1 1 162 1 2 1 1 24 TYR HB2 . 68 . HB2 1 1 163 1 1 1 1 18 LYS H . 62 . HN 1 1 163 1 2 1 1 24 TYR QD . 68 . HD# 1 1 164 1 1 1 1 18 LYS H . 62 . HN 1 1 164 1 2 1 1 25 ILE H . 69 . HN 1 1 165 1 1 1 1 18 LYS H . 62 . HN 1 1 165 1 2 1 1 25 ILE MG . 69 . HG2# 1 1 166 1 1 1 1 18 LYS H . 62 . HN 1 1 166 1 2 1 1 25 ILE O . 69 . O 1 1 167 1 1 1 1 18 LYS H . 62 . HN 1 1 167 1 2 1 1 26 CYS HA . 70 . HA 1 1 168 1 1 1 1 18 LYS H . 62 . HN 1 1 168 1 2 1 1 26 CYS HB3 . 70 . HB3 1 1 169 1 1 1 1 18 LYS HA . 62 . HA 1 1 169 1 2 1 1 18 LYS QD . 62 . HD# 1 1 170 1 1 1 1 18 LYS QB . 62 . HB# 1 1 170 1 2 1 1 18 LYS QG . 62 . HG# 1 1 171 1 1 1 1 18 LYS QB . 62 . HB# 1 1 171 1 2 1 1 19 ASP H . 63 . HN 1 1 172 1 1 1 1 18 LYS QB . 62 . HB# 1 1 172 1 2 1 1 25 ILE MG . 69 . HG2# 1 1 173 1 1 1 1 18 LYS QB . 62 . HB# 1 1 173 1 2 1 1 27 PHE QR . 71 . HD# 1 1 174 1 1 1 1 18 LYS QD . 62 . HD# 1 1 174 1 2 1 1 18 LYS QG . 62 . HG# 1 1 175 1 1 1 1 18 LYS QD . 62 . HD# 1 1 175 1 2 1 1 19 ASP H . 63 . HN 1 1 176 1 1 1 1 18 LYS QD . 62 . HD# 1 1 176 1 1 1 1 20 GLN QB . 64 . HB# 1 1 176 1 2 1 1 24 TYR HA . 68 . HA 1 1 177 1 1 1 1 18 LYS QD . 62 . HD# 1 1 177 1 2 1 1 25 ILE MD . 69 . HD1# 1 1 178 1 1 1 1 18 LYS QD . 62 . HD# 1 1 178 1 2 1 1 27 PHE QE . 71 . HE# 1 1 179 1 1 1 1 18 LYS QE . 62 . HE# 1 1 179 1 2 1 1 18 LYS QG . 62 . HG# 1 1 180 1 1 1 1 18 LYS QG . 62 . HG# 1 1 180 1 2 1 1 19 ASP H . 63 . HN 1 1 181 1 1 1 1 18 LYS QG . 62 . HG# 1 1 181 1 2 1 1 20 GLN QG . 64 . HG# 1 1 182 1 1 1 1 18 LYS QG . 62 . HG# 1 1 182 1 2 1 1 24 TYR HA . 68 . HA 1 1 183 1 1 1 1 18 LYS QG . 62 . HG# 1 1 183 1 2 1 1 27 PHE QE . 71 . HE# 1 1 184 1 1 1 1 18 LYS N . 62 . N 1 1 184 1 2 1 1 25 ILE O . 69 . O 1 1 185 1 1 1 1 18 LYS O . 62 . O 1 1 185 1 2 1 1 25 ILE H . 69 . HN 1 1 186 1 1 1 1 18 LYS O . 62 . O 1 1 186 1 2 1 1 25 ILE N . 69 . N 1 1 187 1 1 1 1 19 ASP H . 63 . HN 1 1 187 1 2 1 1 19 ASP QB . 63 . HB# 1 1 188 1 1 1 1 19 ASP HA . 63 . HA 1 1 188 1 2 1 1 24 TYR HA . 68 . HA 1 1 189 1 1 1 1 19 ASP HA . 63 . HA 1 1 189 1 2 1 1 24 TYR HB2 . 68 . HB2 1 1 190 1 1 1 1 19 ASP QB . 63 . HB# 1 1 190 1 2 1 1 20 GLN H . 64 . HN 1 1 191 1 1 1 1 19 ASP QB . 63 . HB# 1 1 191 1 2 1 1 24 TYR HA . 68 . HA 1 1 192 1 1 1 1 20 GLN H . 64 . HN 1 1 192 1 2 1 1 20 GLN QB . 64 . HB# 1 1 193 1 1 1 1 20 GLN H . 64 . HN 1 1 193 1 2 1 1 20 GLN QG . 64 . HG# 1 1 194 1 1 1 1 20 GLN H . 64 . HN 1 1 194 1 2 1 1 21 LEU H . 65 . HN 1 1 195 1 1 1 1 20 GLN H . 64 . HN 1 1 195 1 2 1 1 23 SER H . 67 . HN 1 1 196 1 1 1 1 20 GLN H . 64 . HN 1 1 196 1 2 1 1 23 SER O . 67 . O 1 1 197 1 1 1 1 20 GLN H . 64 . HN 1 1 197 1 2 1 1 24 TYR HA . 68 . HA 1 1 198 1 1 1 1 20 GLN H . 64 . HN 1 1 198 1 2 1 1 24 TYR HB3 . 68 . HB3 1 1 199 1 1 1 1 20 GLN H . 64 . HN 1 1 199 1 2 1 1 25 ILE H . 69 . HN 1 1 200 1 1 1 1 20 GLN HA . 64 . HA 1 1 200 1 2 1 1 21 LEU H . 65 . HN 1 1 201 1 1 1 1 20 GLN QB . 64 . HB# 1 1 201 1 2 1 1 20 GLN HE22 . 64 . HE22 1 1 202 1 1 1 1 20 GLN QB . 64 . HB# 1 1 202 1 2 1 1 22 GLN H . 66 . HN 1 1 203 1 1 1 1 20 GLN QB . 64 . HB# 1 1 203 1 2 1 1 23 SER H . 67 . HN 1 1 204 1 1 1 1 20 GLN QB . 64 . HB# 1 1 204 1 2 1 1 23 SER QB . 67 . HB# 1 1 205 1 1 1 1 20 GLN QB . 64 . HB# 1 1 205 1 2 1 1 24 TYR HA . 68 . HA 1 1 206 1 1 1 1 20 GLN HE21 . 64 . HE21 1 1 206 1 2 1 1 25 ILE MD . 69 . HD1# 1 1 207 1 1 1 1 20 GLN HE22 . 64 . HE22 1 1 207 1 2 1 1 20 GLN QG . 64 . HG# 1 1 208 1 1 1 1 20 GLN HE22 . 64 . HE22 1 1 208 1 2 1 1 25 ILE MD . 69 . HD1# 1 1 209 1 1 1 1 20 GLN HE22 . 64 . HE22 1 1 209 1 2 1 1 25 ILE MG . 69 . HG2# 1 1 210 1 1 1 1 20 GLN QG . 64 . HG# 1 1 210 1 2 1 1 24 TYR HA . 68 . HA 1 1 211 1 1 1 1 20 GLN QG . 64 . HG# 1 1 211 1 2 1 1 25 ILE MD . 69 . HD1# 1 1 212 1 1 1 1 20 GLN QG . 64 . HG# 1 1 212 1 2 1 1 25 ILE QG . 69 . HG1# 1 1 213 1 1 1 1 20 GLN QG . 64 . HG# 1 1 213 1 2 1 1 25 ILE MG . 69 . HG2# 1 1 214 1 1 1 1 20 GLN N . 64 . N 1 1 214 1 2 1 1 23 SER O . 67 . O 1 1 215 1 1 1 1 21 LEU H . 65 . HN 1 1 215 1 2 1 1 21 LEU QB . 65 . HB# 1 1 216 1 1 1 1 21 LEU H . 65 . HN 1 1 216 1 2 1 1 21 LEU QD . 65 . HD1# 1 1 217 1 1 1 1 21 LEU H . 65 . HN 1 1 217 1 2 1 1 22 GLN H . 66 . HN 1 1 218 1 1 1 1 21 LEU HA . 65 . HA 1 1 218 1 2 1 1 21 LEU QB . 65 . HB# 1 1 219 1 1 1 1 21 LEU HA . 65 . HA 1 1 219 1 2 1 1 21 LEU QD . 65 . HD# 1 1 220 1 1 1 1 21 LEU HA . 65 . HA 1 1 220 1 2 1 1 22 GLN H . 66 . HN 1 1 221 1 1 1 1 21 LEU QB . 65 . HB# 1 1 221 1 2 1 1 21 LEU QD . 65 . HD# 1 1 222 1 1 1 1 21 LEU QB . 65 . HB# 1 1 222 1 2 1 1 22 GLN H . 66 . HN 1 1 223 1 1 1 1 22 GLN H . 66 . HN 1 1 223 1 2 1 1 22 GLN QB . 66 . HB# 1 1 224 1 1 1 1 22 GLN H . 66 . HN 1 1 224 1 2 1 1 22 GLN QG . 66 . HG# 1 1 225 1 1 1 1 22 GLN H . 66 . HN 1 1 225 1 2 1 1 23 SER H . 67 . HN 1 1 226 1 1 1 1 22 GLN HA . 66 . HA 1 1 226 1 2 1 1 23 SER H . 67 . HN 1 1 227 1 1 1 1 22 GLN QG . 66 . HG# 1 1 227 1 2 1 1 23 SER H . 67 . HN 1 1 228 1 1 1 1 23 SER H . 67 . HN 1 1 228 1 1 1 1 34 GLY H . 78 . HN 1 1 228 1 2 1 1 23 SER QB . 67 . HB# 1 1 228 1 2 1 1 34 GLY QA . 78 . HA# 1 1 229 1 1 1 1 23 SER HA . 67 . HA 1 1 229 1 2 1 1 24 TYR H . 68 . HN 1 1 230 1 1 1 1 23 SER QB . 67 . HB# 1 1 230 1 2 1 1 23 SER HG . 67 . HG# 1 1 231 1 1 1 1 23 SER QB . 67 . HB# 1 1 231 1 2 1 1 24 TYR H . 68 . HN 1 1 232 1 1 1 1 24 TYR H . 68 . HN 1 1 232 1 2 1 1 24 TYR HB3 . 68 . HB3 1 1 233 1 1 1 1 24 TYR H . 68 . HN 1 1 233 1 2 1 1 24 TYR QD . 68 . HD# 1 1 234 1 1 1 1 24 TYR HA . 68 . HA 1 1 234 1 2 1 1 24 TYR HB2 . 68 . HB2 1 1 235 1 1 1 1 24 TYR HA . 68 . HA 1 1 235 1 2 1 1 24 TYR HB3 . 68 . HB3 1 1 236 1 1 1 1 24 TYR HA . 68 . HA 1 1 236 1 2 1 1 25 ILE H . 69 . HN 1 1 237 1 1 1 1 24 TYR HB2 . 68 . HB2 1 1 237 1 2 1 1 24 TYR QD . 68 . HD# 1 1 238 1 1 1 1 24 TYR HB2 . 68 . HB2 1 1 238 1 2 1 1 25 ILE H . 69 . HN 1 1 239 1 1 1 1 24 TYR HB3 . 68 . HB3 1 1 239 1 2 1 1 24 TYR QD . 68 . HD# 1 1 240 1 1 1 1 24 TYR HB3 . 68 . HB3 1 1 240 1 2 1 1 25 ILE H . 69 . HN 1 1 241 1 1 1 1 24 TYR QD . 68 . HD# 1 1 241 1 2 1 1 25 ILE H . 69 . HN 1 1 242 1 1 1 1 24 TYR QD . 68 . HD# 1 1 242 1 2 1 1 26 CYS H . 70 . HN 1 1 243 1 1 1 1 25 ILE H . 69 . HN 1 1 243 1 2 1 1 25 ILE HB . 69 . HB 1 1 244 1 1 1 1 25 ILE H . 69 . HN 1 1 244 1 2 1 1 25 ILE MD . 69 . HD1# 1 1 245 1 1 1 1 25 ILE H . 69 . HN 1 1 245 1 2 1 1 25 ILE QG . 69 . HG1# 1 1 246 1 1 1 1 25 ILE H . 69 . HN 1 1 246 1 2 1 1 25 ILE MG . 69 . HG2# 1 1 247 1 1 1 1 25 ILE HA . 69 . HA 1 1 247 1 2 1 1 25 ILE HB . 69 . HB 1 1 248 1 1 1 1 25 ILE HA . 69 . HA 1 1 248 1 2 1 1 25 ILE MD . 69 . HD1# 1 1 249 1 1 1 1 25 ILE HA . 69 . HA 1 1 249 1 2 1 1 25 ILE QG . 69 . HG1# 1 1 250 1 1 1 1 25 ILE HA . 69 . HA 1 1 250 1 2 1 1 25 ILE MG . 69 . HG2# 1 1 251 1 1 1 1 25 ILE HA . 69 . HA 1 1 251 1 2 1 1 26 CYS H . 70 . HN 1 1 252 1 1 1 1 25 ILE HB . 69 . HB 1 1 252 1 2 1 1 25 ILE MD . 69 . HD1# 1 1 253 1 1 1 1 25 ILE HB . 69 . HB 1 1 253 1 2 1 1 25 ILE MG . 69 . HG2# 1 1 254 1 1 1 1 25 ILE HB . 69 . HB 1 1 254 1 2 1 1 26 CYS H . 70 . HN 1 1 255 1 1 1 1 25 ILE MD . 69 . HD1# 1 1 255 1 2 1 1 27 PHE QR . 71 . HD# 1 1 256 1 1 1 1 25 ILE QG . 69 . HG1# 1 1 256 1 2 1 1 25 ILE MG . 69 . HG2# 1 1 257 1 1 1 1 25 ILE QG . 69 . HG1# 1 1 257 1 2 1 1 26 CYS H . 70 . HN 1 1 258 1 1 1 1 25 ILE QG . 69 . HG1# 1 1 258 1 2 1 1 27 PHE QR . 71 . HD# 1 1 259 1 1 1 1 25 ILE MG . 69 . HG2# 1 1 259 1 2 1 1 26 CYS H . 70 . HN 1 1 260 1 1 1 1 25 ILE MG . 69 . HG2# 1 1 260 1 2 1 1 27 PHE QE . 71 . HE# 1 1 261 1 1 1 1 26 CYS H . 70 . HN 1 1 261 1 2 1 1 26 CYS HB2 . 70 . HB2 1 1 262 1 1 1 1 26 CYS H . 70 . HN 1 1 262 1 2 1 1 26 CYS HB3 . 70 . HB3 1 1 263 1 1 1 1 26 CYS HA . 70 . HA 1 1 263 1 2 1 1 26 CYS HB2 . 70 . HB2 1 1 264 1 1 1 1 26 CYS HA . 70 . HA 1 1 264 1 2 1 1 26 CYS HB3 . 70 . HB3 1 1 265 1 1 1 1 26 CYS HA . 70 . HA 1 1 265 1 2 1 1 27 PHE H . 71 . HN 1 1 266 1 1 1 1 26 CYS HB2 . 70 . HB2 1 1 266 1 2 1 1 27 PHE H . 71 . HN 1 1 267 1 1 1 1 26 CYS HB2 . 70 . HB2 1 1 267 1 2 1 1 36 ASN HA . 80 . HA 1 1 268 1 1 1 1 26 CYS HB3 . 70 . HB3 1 1 268 1 2 1 1 27 PHE H . 71 . HN 1 1 269 1 1 1 1 26 CYS HB3 . 70 . HB3 1 1 269 1 2 1 1 36 ASN HA . 80 . HA 1 1 270 1 1 1 1 27 PHE H . 71 . HN 1 1 270 1 2 1 1 27 PHE HB2 . 71 . HB2 1 1 271 1 1 1 1 27 PHE H . 71 . HN 1 1 271 1 2 1 1 27 PHE HB3 . 71 . HB3 1 1 272 1 1 1 1 27 PHE H . 71 . HN 1 1 272 1 2 1 1 27 PHE QD . 71 . HD# 1 1 273 1 1 1 1 27 PHE HB2 . 71 . HB2 1 1 273 1 2 1 1 27 PHE QD . 71 . HD# 1 1 274 1 1 1 1 27 PHE HB2 . 71 . HB2 1 1 274 1 2 1 1 28 CYS H . 72 . HN 1 1 275 1 1 1 1 27 PHE HB3 . 71 . HB3 1 1 275 1 2 1 1 27 PHE QD . 71 . HD# 1 1 276 1 1 1 1 27 PHE HB3 . 71 . HB3 1 1 276 1 2 1 1 28 CYS H . 72 . HN 1 1 277 1 1 1 1 28 CYS H . 72 . HN 1 1 277 1 2 1 1 28 CYS HB2 . 72 . HB2 1 1 278 1 1 1 1 28 CYS H . 72 . HN 1 1 278 1 2 1 1 28 CYS HB3 . 72 . HB3 1 1 279 1 1 1 1 28 CYS HB2 . 72 . HB2 1 1 279 1 2 1 1 29 LEU H . 73 . HN 1 1 280 1 1 1 1 28 CYS HB2 . 72 . HB2 1 1 280 1 2 1 1 33 GLU HA . 77 . HA 1 1 281 1 1 1 1 28 CYS HB3 . 72 . HB3 1 1 281 1 2 1 1 29 LEU H . 73 . HN 1 1 282 1 1 1 1 28 CYS HB3 . 72 . HB3 1 1 282 1 2 1 1 32 PHE HA . 76 . HA 1 1 283 1 1 1 1 28 CYS HB3 . 72 . HB3 1 1 283 1 2 1 1 32 PHE QD . 76 . HD# 1 1 284 1 1 1 1 28 CYS HB3 . 72 . HB3 1 1 284 1 2 1 1 33 GLU HA . 77 . HA 1 1 285 1 1 1 1 28 CYS HB3 . 72 . HB3 1 1 285 1 2 1 1 37 CYS QB . 81 . HB# 1 1 286 1 1 1 1 29 LEU H . 73 . HN 1 1 286 1 2 1 1 29 LEU QB . 73 . HB# 1 1 287 1 1 1 1 29 LEU H . 73 . HN 1 1 287 1 2 1 1 29 LEU QB . 73 . HB# 1 1 287 1 2 1 1 29 LEU HG . 73 . HG 1 1 288 1 1 1 1 29 LEU H . 73 . HN 1 1 288 1 2 1 1 29 LEU MD1 . 73 . HD1# 1 1 289 1 1 1 1 29 LEU H . 73 . HN 1 1 289 1 2 1 1 29 LEU MD2 . 73 . HD2# 1 1 290 1 1 1 1 29 LEU H . 73 . HN 1 1 290 1 2 1 1 31 ALA MB . 75 . HB# 1 1 291 1 1 1 1 29 LEU H . 73 . HN 1 1 291 1 2 1 1 32 PHE H . 76 . HN 1 1 292 1 1 1 1 29 LEU H . 73 . HN 1 1 292 1 2 1 1 32 PHE QD . 76 . HD# 1 1 293 1 1 1 1 29 LEU H . 73 . HN 1 1 293 1 2 1 1 32 PHE QE . 76 . HE# 1 1 294 1 1 1 1 29 LEU HA . 73 . HA 1 1 294 1 2 1 1 29 LEU MD1 . 73 . HD1# 1 1 295 1 1 1 1 29 LEU HA . 73 . HA 1 1 295 1 2 1 1 29 LEU MD2 . 73 . HD2# 1 1 296 1 1 1 1 29 LEU HA . 73 . HA 1 1 296 1 2 1 1 30 PRO QD . 74 . HD# 1 1 297 1 1 1 1 29 LEU HA . 73 . HA 1 1 297 1 2 1 1 32 PHE QD . 76 . HD# 1 1 298 1 1 1 1 29 LEU QB . 73 . HB# 1 1 298 1 2 1 1 29 LEU MD1 . 73 . HD1# 1 1 299 1 1 1 1 29 LEU QB . 73 . HB# 1 1 299 1 2 1 1 29 LEU MD2 . 73 . HD2# 1 1 300 1 1 1 1 29 LEU QB . 73 . HB# 1 1 300 1 1 1 1 29 LEU HG . 73 . HG 1 1 300 1 2 1 1 32 PHE QE . 76 . HE# 1 1 301 1 1 1 1 29 LEU QB . 73 . HB# 1 1 301 1 2 1 1 31 ALA H . 75 . HN 1 1 302 1 1 1 1 29 LEU QB . 73 . HB# 1 1 302 1 2 1 1 32 PHE QD . 76 . HD# 1 1 303 1 1 1 1 29 LEU QB . 73 . HB# 1 1 303 1 2 1 1 32 PHE QE . 76 . HE# 1 1 304 1 1 1 1 29 LEU QD . 73 . HD1# 1 1 304 1 2 1 1 30 PRO QD . 74 . HD# 1 1 305 1 1 1 1 29 LEU QD . 73 . HD1# 1 1 305 1 2 1 1 32 PHE HZ . 76 . HZ 1 1 306 1 1 1 1 29 LEU MD1 . 73 . HD1# 1 1 306 1 2 1 1 32 PHE QD . 76 . HD# 1 1 307 1 1 1 1 29 LEU MD1 . 73 . HD1# 1 1 307 1 2 1 1 32 PHE QE . 76 . HE# 1 1 308 1 1 1 1 29 LEU O . 73 . O 1 1 308 1 2 1 1 32 PHE H . 76 . HN 1 1 309 1 1 1 1 29 LEU O . 73 . O 1 1 309 1 2 1 1 32 PHE N . 76 . N 1 1 310 1 1 1 1 30 PRO HA . 74 . HA 1 1 310 1 2 1 1 30 PRO HB3 . 74 . HB3 1 1 311 1 1 1 1 30 PRO HA . 74 . HA 1 1 311 1 2 1 1 30 PRO QG . 74 . HG# 1 1 312 1 1 1 1 30 PRO HA . 74 . HA 1 1 312 1 2 1 1 31 ALA H . 75 . HN 1 1 313 1 1 1 1 30 PRO HB2 . 74 . HB2 1 1 313 1 2 1 1 30 PRO QD . 74 . HD# 1 1 314 1 1 1 1 30 PRO HB2 . 74 . HB2 1 1 314 1 2 1 1 31 ALA H . 75 . HN 1 1 315 1 1 1 1 30 PRO HB3 . 74 . HB3 1 1 315 1 2 1 1 30 PRO QD . 74 . HD# 1 1 316 1 1 1 1 30 PRO HB3 . 74 . HB3 1 1 316 1 2 1 1 31 ALA H . 75 . HN 1 1 317 1 1 1 1 30 PRO QD . 74 . HD# 1 1 317 1 2 1 1 31 ALA H . 75 . HN 1 1 318 1 1 1 1 31 ALA H . 75 . HN 1 1 318 1 2 1 1 31 ALA HA . 75 . HA 1 1 319 1 1 1 1 31 ALA H . 75 . HN 1 1 319 1 2 1 1 31 ALA MB . 75 . HB# 1 1 320 1 1 1 1 31 ALA H . 75 . HN 1 1 320 1 2 1 1 32 PHE H . 76 . HN 1 1 321 1 1 1 1 31 ALA HA . 75 . HA 1 1 321 1 2 1 1 31 ALA MB . 75 . HB# 1 1 322 1 1 1 1 31 ALA HA . 75 . HA 1 1 322 1 2 1 1 32 PHE H . 76 . HN 1 1 323 1 1 1 1 31 ALA HA . 75 . HA 1 1 323 1 2 1 1 41 LYS HB2 . 85 . HB2 1 1 324 1 1 1 1 31 ALA HA . 75 . HA 1 1 324 1 2 1 1 41 LYS HB3 . 85 . HB3 1 1 325 1 1 1 1 31 ALA HA . 75 . HA 1 1 325 1 2 1 1 41 LYS QD . 85 . HD# 1 1 326 1 1 1 1 31 ALA HA . 75 . HA 1 1 326 1 2 1 1 41 LYS QG . 85 . HG# 1 1 327 1 1 1 1 31 ALA MB . 75 . HB# 1 1 327 1 2 1 1 32 PHE H . 76 . HN 1 1 328 1 1 1 1 31 ALA MB . 75 . HB# 1 1 328 1 2 1 1 32 PHE HZ . 76 . HZ 1 1 329 1 1 1 1 31 ALA MB . 75 . HB# 1 1 329 1 2 1 1 40 HIS HD2 . 84 . HD2 1 1 330 1 1 1 1 31 ALA MB . 75 . HB# 1 1 330 1 2 1 1 41 LYS H . 85 . HN 1 1 331 1 1 1 1 32 PHE H . 76 . HN 1 1 331 1 2 1 1 32 PHE HA . 76 . HA 1 1 332 1 1 1 1 32 PHE H . 76 . HN 1 1 332 1 2 1 1 32 PHE HB2 . 76 . HB2 1 1 333 1 1 1 1 32 PHE H . 76 . HN 1 1 333 1 2 1 1 32 PHE QD . 76 . HD# 1 1 334 1 1 1 1 32 PHE HA . 76 . HA 1 1 334 1 2 1 1 32 PHE HB2 . 76 . HB2 1 1 335 1 1 1 1 32 PHE HA . 76 . HA 1 1 335 1 2 1 1 32 PHE HB3 . 76 . HB3 1 1 336 1 1 1 1 32 PHE HA . 76 . HA 1 1 336 1 2 1 1 32 PHE QD . 76 . HD# 1 1 337 1 1 1 1 32 PHE HA . 76 . HA 1 1 337 1 2 1 1 33 GLU H . 77 . HN 1 1 338 1 1 1 1 32 PHE HA . 76 . HA 1 1 338 1 2 1 1 37 CYS HA . 81 . HA 1 1 339 1 1 1 1 32 PHE HA . 76 . HA 1 1 339 1 2 1 1 40 HIS HA . 84 . HA 1 1 340 1 1 1 1 32 PHE HA . 76 . HA 1 1 340 1 2 1 1 40 HIS QB . 84 . HB# 1 1 341 1 1 1 1 32 PHE HA . 76 . HA 1 1 341 1 2 1 1 41 LYS H . 85 . HN 1 1 342 1 1 1 1 32 PHE HA . 76 . HA 1 1 342 1 2 1 1 41 LYS HB3 . 85 . HB3 1 1 343 1 1 1 1 32 PHE HA . 76 . HA 1 1 343 1 2 1 1 41 LYS QG . 85 . HG# 1 1 344 1 1 1 1 32 PHE HB2 . 76 . HB2 1 1 344 1 2 1 1 32 PHE QD . 76 . HD# 1 1 345 1 1 1 1 32 PHE HB2 . 76 . HB2 1 1 345 1 2 1 1 33 GLU H . 77 . HN 1 1 346 1 1 1 1 32 PHE HB2 . 76 . HB2 1 1 346 1 2 1 1 37 CYS HA . 81 . HA 1 1 347 1 1 1 1 32 PHE HB2 . 76 . HB2 1 1 347 1 2 1 1 37 CYS QB . 81 . HB# 1 1 348 1 1 1 1 32 PHE HB3 . 76 . HB3 1 1 348 1 2 1 1 32 PHE QD . 76 . HD# 1 1 349 1 1 1 1 32 PHE HB3 . 76 . HB3 1 1 349 1 2 1 1 32 PHE QE . 76 . HE# 1 1 350 1 1 1 1 32 PHE HB3 . 76 . HB3 1 1 350 1 2 1 1 33 GLU H . 77 . HN 1 1 351 1 1 1 1 32 PHE QD . 76 . HD# 1 1 351 1 2 1 1 40 HIS HA . 84 . HA 1 1 352 1 1 1 1 32 PHE QD . 76 . HD# 1 1 352 1 2 1 1 40 HIS QB . 84 . HB# 1 1 353 1 1 1 1 32 PHE QD . 76 . HD# 1 1 353 1 2 1 1 40 HIS HD2 . 84 . HD2 1 1 354 1 1 1 1 32 PHE QE . 76 . HE# 1 1 354 1 2 1 1 40 HIS HA . 84 . HA 1 1 355 1 1 1 1 32 PHE QE . 76 . HE# 1 1 355 1 2 1 1 40 HIS QB . 84 . HB# 1 1 356 1 1 1 1 33 GLU H . 77 . HN 1 1 356 1 2 1 1 37 CYS HA . 81 . HA 1 1 357 1 1 1 1 33 GLU H . 77 . HN 1 1 357 1 2 1 1 39 THR H . 83 . HN 1 1 358 1 1 1 1 33 GLU H . 77 . HN 1 1 358 1 2 1 1 39 THR HB . 83 . HB 1 1 359 1 1 1 1 33 GLU H . 77 . HN 1 1 359 1 2 1 1 39 THR MG . 83 . HG2# 1 1 359 1 2 1 1 41 LYS QG . 85 . HG# 1 1 360 1 1 1 1 33 GLU H . 77 . HN 1 1 360 1 2 1 1 40 HIS HA . 84 . HA 1 1 361 1 1 1 1 33 GLU H . 77 . HN 1 1 361 1 2 1 1 41 LYS H . 85 . HN 1 1 362 1 1 1 1 33 GLU HA . 77 . HA 1 1 362 1 2 1 1 37 CYS HA . 81 . HA 1 1 363 1 1 1 1 33 GLU HA . 77 . HA 1 1 363 1 2 1 1 39 THR MG . 83 . HG2# 1 1 363 1 2 1 1 41 LYS QG . 85 . HG# 1 1 364 1 1 1 1 33 GLU HA . 77 . HA 1 1 364 1 2 1 1 41 LYS QE . 85 . HE# 1 1 365 1 1 1 1 33 GLU QB . 77 . HB# 1 1 365 1 1 1 1 33 GLU QG . 77 . HG# 1 1 365 1 2 1 1 39 THR MG . 83 . HG2# 1 1 366 1 1 1 1 33 GLU QB . 77 . HB# 1 1 366 1 1 1 1 33 GLU QG . 77 . HG# 1 1 366 1 2 1 1 41 LYS QE . 85 . HE# 1 1 367 1 1 1 1 34 GLY QA . 78 . HA# 1 1 367 1 2 1 1 35 ARG H . 79 . HN 1 1 368 1 1 1 1 34 GLY O . 78 . O 1 1 368 1 2 1 1 37 CYS H . 81 . HN 1 1 369 1 1 1 1 34 GLY O . 78 . O 1 1 369 1 2 1 1 37 CYS N . 81 . N 1 1 370 1 1 1 1 35 ARG H . 79 . HN 1 1 370 1 2 1 1 35 ARG HA . 79 . HA 1 1 371 1 1 1 1 35 ARG H . 79 . HN 1 1 371 1 2 1 1 35 ARG QB . 79 . HB# 1 1 372 1 1 1 1 35 ARG H . 79 . HN 1 1 372 1 2 1 1 35 ARG QG . 79 . HG# 1 1 373 1 1 1 1 35 ARG H . 79 . HN 1 1 373 1 2 1 1 36 ASN H . 80 . HN 1 1 374 1 1 1 1 35 ARG H . 79 . HN 1 1 374 1 2 1 1 37 CYS H . 81 . HN 1 1 375 1 1 1 1 35 ARG HA . 79 . HA 1 1 375 1 2 1 1 35 ARG QB . 79 . HB# 1 1 376 1 1 1 1 35 ARG HA . 79 . HA 1 1 376 1 2 1 1 35 ARG QD . 79 . HD# 1 1 377 1 1 1 1 35 ARG HA . 79 . HA 1 1 377 1 2 1 1 35 ARG HE . 79 . HE 1 1 378 1 1 1 1 35 ARG HA . 79 . HA 1 1 378 1 2 1 1 35 ARG QG . 79 . HG# 1 1 379 1 1 1 1 35 ARG HA . 79 . HA 1 1 379 1 2 1 1 36 ASN H . 80 . HN 1 1 380 1 1 1 1 35 ARG HA . 79 . HA 1 1 380 1 2 1 1 37 CYS H . 81 . HN 1 1 381 1 1 1 1 35 ARG QB . 79 . HB# 1 1 381 1 2 1 1 35 ARG QD . 79 . HD# 1 1 382 1 1 1 1 35 ARG QB . 79 . HB# 1 1 382 1 2 1 1 36 ASN H . 80 . HN 1 1 383 1 1 1 1 35 ARG HE . 79 . HE 1 1 383 1 2 1 1 35 ARG QG . 79 . HG# 1 1 384 1 1 1 1 35 ARG QG . 79 . HG# 1 1 384 1 2 1 1 36 ASN H . 80 . HN 1 1 385 1 1 1 1 36 ASN H . 80 . HN 1 1 385 1 2 1 1 36 ASN HA . 80 . HA 1 1 386 1 1 1 1 36 ASN H . 80 . HN 1 1 386 1 2 1 1 36 ASN QB . 80 . HB# 1 1 387 1 1 1 1 36 ASN H . 80 . HN 1 1 387 1 2 1 1 37 CYS H . 81 . HN 1 1 388 1 1 1 1 36 ASN H . 80 . HN 1 1 388 1 2 1 1 38 GLU H . 82 . HN 1 1 389 1 1 1 1 36 ASN H . 80 . HN 1 1 389 1 2 1 1 39 THR H . 83 . HN 1 1 390 1 1 1 1 36 ASN HA . 80 . HA 1 1 390 1 2 1 1 36 ASN QB . 80 . HB# 1 1 391 1 1 1 1 36 ASN HA . 80 . HA 1 1 391 1 2 1 1 36 ASN HD21 . 80 . HD22 1 1 392 1 1 1 1 36 ASN HA . 80 . HA 1 1 392 1 2 1 1 37 CYS H . 81 . HN 1 1 393 1 1 1 1 36 ASN QB . 80 . HB# 1 1 393 1 2 1 1 36 ASN HD21 . 80 . HD22 1 1 394 1 1 1 1 36 ASN QB . 80 . HB# 1 1 394 1 2 1 1 36 ASN HD22 . 80 . HD21 1 1 395 1 1 1 1 36 ASN QB . 80 . HB# 1 1 395 1 2 1 1 38 GLU HB3 . 82 . HB3 1 1 396 1 1 1 1 37 CYS H . 81 . HN 1 1 396 1 2 1 1 37 CYS HA . 81 . HA 1 1 397 1 1 1 1 37 CYS H . 81 . HN 1 1 397 1 2 1 1 38 GLU H . 82 . HN 1 1 398 1 1 1 1 37 CYS HA . 81 . HA 1 1 398 1 2 1 1 37 CYS QB . 81 . HB# 1 1 399 1 1 1 1 37 CYS HA . 81 . HA 1 1 399 1 2 1 1 38 GLU H . 82 . HN 1 1 400 1 1 1 1 37 CYS HA . 81 . HA 1 1 400 1 2 1 1 39 THR H . 83 . HN 1 1 401 1 1 1 1 38 GLU H . 82 . HN 1 1 401 1 2 1 1 38 GLU HB2 . 82 . HB2 1 1 402 1 1 1 1 38 GLU H . 82 . HN 1 1 402 1 2 1 1 38 GLU HB3 . 82 . HB3 1 1 403 1 1 1 1 38 GLU H . 82 . HN 1 1 403 1 2 1 1 38 GLU QG . 82 . HG# 1 1 404 1 1 1 1 38 GLU H . 82 . HN 1 1 404 1 2 1 1 39 THR H . 83 . HN 1 1 405 1 1 1 1 38 GLU HA . 82 . HA 1 1 405 1 2 1 1 38 GLU HB2 . 82 . HB2 1 1 406 1 1 1 1 38 GLU HA . 82 . HA 1 1 406 1 2 1 1 38 GLU QG . 82 . HG# 1 1 407 1 1 1 1 38 GLU HA . 82 . HA 1 1 407 1 2 1 1 39 THR H . 83 . HN 1 1 408 1 1 1 1 38 GLU HB2 . 82 . HB2 1 1 408 1 2 1 1 38 GLU QG . 82 . HG# 1 1 409 1 1 1 1 38 GLU HB3 . 82 . HB3 1 1 409 1 2 1 1 38 GLU QG . 82 . HG# 1 1 410 1 1 1 1 38 GLU HB3 . 82 . HB3 1 1 410 1 2 1 1 39 THR H . 83 . HN 1 1 411 1 1 1 1 38 GLU QG . 82 . HG# 1 1 411 1 2 1 1 39 THR H . 83 . HN 1 1 412 1 1 1 1 39 THR H . 83 . HN 1 1 412 1 2 1 1 39 THR HB . 83 . HB 1 1 413 1 1 1 1 39 THR H . 83 . HN 1 1 413 1 2 1 1 39 THR MG . 83 . HG2# 1 1 414 1 1 1 1 39 THR HA . 83 . HA 1 1 414 1 2 1 1 40 HIS H . 84 . HN 1 1 415 1 1 1 1 39 THR MG . 83 . HG2# 1 1 415 1 2 1 1 40 HIS H . 84 . HN 1 1 416 1 1 1 1 40 HIS H . 84 . HN 1 1 416 1 2 1 1 40 HIS HA . 84 . HA 1 1 417 1 1 1 1 40 HIS H . 84 . HN 1 1 417 1 2 1 1 40 HIS QB . 84 . HB# 1 1 418 1 1 1 1 40 HIS HA . 84 . HA 1 1 418 1 2 1 1 40 HIS QB . 84 . HB# 1 1 419 1 1 1 1 40 HIS HA . 84 . HA 1 1 419 1 2 1 1 40 HIS HD2 . 84 . HD2 1 1 420 1 1 1 1 40 HIS HA . 84 . HA 1 1 420 1 2 1 1 41 LYS H . 85 . HN 1 1 421 1 1 1 1 40 HIS QB . 84 . HB# 1 1 421 1 2 1 1 41 LYS H . 85 . HN 1 1 422 1 1 1 1 41 LYS H . 85 . HN 1 1 422 1 2 1 1 41 LYS HA . 85 . HA 1 1 423 1 1 1 1 41 LYS H . 85 . HN 1 1 423 1 2 1 1 41 LYS HB2 . 85 . HB2 1 1 424 1 1 1 1 41 LYS H . 85 . HN 1 1 424 1 2 1 1 41 LYS QD . 85 . HD# 1 1 425 1 1 1 1 41 LYS H . 85 . HN 1 1 425 1 2 1 1 41 LYS QG . 85 . HG# 1 1 426 1 1 1 1 41 LYS HA . 85 . HA 1 1 426 1 2 1 1 41 LYS QG . 85 . HG# 1 1 427 1 1 1 1 41 LYS HB2 . 85 . HB2 1 1 427 1 2 1 1 41 LYS QE . 85 . HE# 1 1 428 1 1 1 1 41 LYS HB2 . 85 . HB2 1 1 428 1 2 1 1 41 LYS QG . 85 . HG# 1 1 429 1 1 1 1 41 LYS HB3 . 85 . HB3 1 1 429 1 2 1 1 41 LYS QE . 85 . HE# 1 1 430 1 1 1 1 41 LYS HB3 . 85 . HB3 1 1 430 1 2 1 1 41 LYS QG . 85 . HG# 1 1 431 1 1 1 1 41 LYS QE . 85 . HE# 1 1 431 1 2 1 1 41 LYS QG . 85 . HG# 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 . . . . . 3.33 1.8 3.66 1 1 2 1 . . . . . 3.2 1.8 3.52 1 1 3 1 . . . . . 3.89 1.8 4.28 1 1 4 1 . . . . . 4.5 1.8 4.95 1 1 5 1 . . . . . 2.76 1.8 3.04 1 1 6 1 . . . . . 3.33 1.8 3.66 1 1 7 1 . . . . . 3.82 1.8 4.2 1 1 8 1 . . . . . 3.0 1.8 3.3 1 1 9 1 . . . . . 4.38 1.8 4.82 1 1 10 1 . . . . . 2.91 1.8 3.5 1 1 11 1 . . . . . 2.95 1.8 3.25 1 1 12 1 . . . . . 2.85 1.8 3.14 1 1 13 1 . . . . . 3.74 1.8 4.11 1 1 14 1 . . . . . 4.5 1.8 4.95 1 1 15 1 . . . . . 2.83 1.8 3.11 1 1 16 1 . . . . . 4.13 1.8 4.54 1 1 17 1 . . . . . 2.63 1.8 2.89 1 1 18 1 . . . . . 2.73 1.8 3.0 1 1 19 1 . . . . . 4.5 1.8 4.95 1 1 20 1 . . . . . 2.94 1.8 3.23 1 1 21 1 . . . . . 3.7 1.8 4.07 1 1 22 1 . . . . . 4.24 1.8 4.66 1 1 23 1 . . . . . 3.04 1.8 3.34 1 1 24 1 . . . . . 3.08 1.8 3.39 1 1 25 1 . . . . . 2.61 1.8 2.87 1 1 26 1 . . . . . 3.27 1.8 3.6 1 1 27 1 . . . . . 3.77 1.8 4.15 1 1 28 1 . . . . . 3.04 1.8 3.34 1 1 29 1 . . . . . 2.5 1.8 2.75 1 1 30 1 . . . . . 4.5 1.8 4.95 1 1 31 1 . . . . . 4.5 1.8 4.95 1 1 32 1 . . . . . 3.03 1.8 3.33 1 1 33 1 . . . . . 3.06 1.8 3.37 1 1 34 1 . . . . . 4.5 1.8 4.95 1 1 35 1 . . . . . 3.29 1.8 3.62 1 1 36 1 . . . . . 2.88 1.8 3.17 1 1 37 1 . . . . . 2.76 1.8 3.04 1 1 38 1 . . . . . 2.58 1.8 2.84 1 1 39 1 . . . . . 3.45 1.8 3.8 1 1 40 1 . . . . . 4.38 1.8 4.82 1 1 41 1 . . . . . 4.5 1.8 4.95 1 1 42 1 . . . . . 2.58 1.8 2.84 1 1 43 1 . . . . . 4.04 1.8 4.44 1 1 44 1 . . . . . 3.66 1.8 4.03 1 1 45 1 . . . . . 2.9 1.8 3.19 1 1 46 1 . . . . . 2.53 1.8 3.08 1 1 47 1 . . . . . 3.07 1.8 3.38 1 1 48 1 . . . . . 3.87 1.8 4.26 1 1 49 1 . . . . . 2.4 1.8 2.94 1 1 50 1 . . . . . 3.54 1.8 3.89 1 1 51 1 . . . . . 3.18 1.8 3.8 1 1 52 1 . . . . . 3.24 1.8 3.56 1 1 53 1 . . . . . 2.86 1.8 3.15 1 1 54 1 . . . . . 3.38 1.8 3.72 1 1 55 1 . . . . . 4.5 1.8 4.95 1 1 56 1 . . . . . 2.32 1.8 2.55 1 1 57 1 . . . . . 3.18 1.8 3.5 1 1 58 1 . . . . . 2.85 1.8 3.14 1 1 59 1 . . . . . 2.27 1.8 2.5 1 1 60 1 . . . . . 2.72 1.8 2.99 1 1 61 1 . . . . . 3.33 1.8 3.66 1 1 62 1 . . . . . 3.41 1.8 3.75 1 1 63 1 . . . . . 4.26 1.8 4.69 1 1 64 1 . . . . . 3.25 1.8 3.58 1 1 65 1 . . . . . 4.15 1.8 4.57 1 1 66 1 . . . . . 3.77 1.8 4.15 1 1 67 1 . . . . . 3.04 1.8 3.34 1 1 68 1 . . . . . 4.41 1.8 4.85 1 1 69 1 . . . . . 3.28 1.8 3.61 1 1 70 1 . . . . . 2.36 1.8 2.6 1 1 71 1 . . . . . 4.5 1.8 4.95 1 1 72 1 . . . . . 3.03 1.8 3.33 1 1 73 1 . . . . . 4.5 1.8 4.95 1 1 74 1 . . . . . 3.18 1.8 3.5 1 1 75 1 . . . . . 2.74 1.8 3.01 1 1 76 1 . . . . . 3.9 1.8 4.29 1 1 77 1 . . . . . 4.06 1.8 4.47 1 1 78 1 . . . . . 2.9 1.8 3.19 1 1 79 1 . . . . . 2.33 1.8 2.56 1 1 80 1 . . . . . 4.5 1.8 4.95 1 1 81 1 . . . . . 4.06 1.8 4.47 1 1 82 1 . . . . . 3.64 1.8 4.0 1 1 83 1 . . . . . 3.92 1.8 4.31 1 1 84 1 . . . . . 4.5 1.8 4.95 1 1 85 1 . . . . . 4.5 1.8 4.95 1 1 86 1 . . . . . 3.35 1.8 3.69 1 1 87 1 . . . . . 4.5 1.8 4.95 1 1 88 1 . . . . . 2.81 1.8 3.09 1 1 89 1 . . . . . 4.5 1.8 4.95 1 1 90 1 . . . . . 4.5 1.8 4.95 1 1 91 1 . . . . . 2.66 1.8 2.93 1 1 92 1 . . . . . 2.61 1.8 2.87 1 1 93 1 . . . . . 3.37 1.8 3.71 1 1 94 1 . . . . . 3.73 1.8 4.1 1 1 95 1 . . . . . 2.86 1.8 3.15 1 1 96 1 . . . . . 2.84 1.8 3.12 1 1 97 1 . . . . . 2.5 1.8 2.75 1 1 98 1 . . . . . 4.5 1.8 4.95 1 1 99 1 . . . . . 2.46 1.8 2.71 1 1 100 1 . . . . . 3.75 1.8 4.13 1 1 101 1 . . . . . 2.29 1.8 2.52 1 1 102 1 . . . . . 3.3 1.8 3.63 1 1 103 1 . . . . . 3.54 1.8 3.89 1 1 104 1 . . . . . 4.5 1.8 4.95 1 1 105 1 . . . . . 2.57 1.8 2.83 1 1 106 1 . . . . . 3.4 1.8 3.74 1 1 107 1 . . . . . 2.97 1.8 3.27 1 1 108 1 . . . . . 4.46 1.8 4.91 1 1 109 1 . . . . . 3.57 1.8 3.93 1 1 110 1 . . . . . 3.73 1.8 4.1 1 1 111 1 . . . . . 4.5 1.8 4.95 1 1 112 1 . . . . . 3.44 1.8 3.78 1 1 113 1 . . . . . 3.74 1.8 4.11 1 1 114 1 . . . . . 3.94 1.8 4.33 1 1 115 1 . . . . . 3.31 1.8 3.64 1 1 116 1 . . . . . 2.49 1.8 2.74 1 1 117 1 . . . . . 4.5 1.8 4.95 1 1 118 1 . . . . . 4.5 1.8 4.95 1 1 119 1 . . . . . 2.6 1.8 2.86 1 1 120 1 . . . . . 2.57 1.8 2.83 1 1 121 1 . . . . . 3.31 1.8 3.64 1 1 122 1 . . . . . 3.61 1.8 3.97 1 1 123 1 . . . . . 4.5 1.8 4.95 1 1 124 1 . . . . . 4.5 1.8 4.95 1 1 125 1 . . . . . 4.5 1.8 4.95 1 1 126 1 . . . . . 3.06 1.8 3.37 1 1 127 1 . . . . . 2.51 1.8 2.76 1 1 128 1 . . . . . 3.01 1.8 3.31 1 1 129 1 . . . . . 3.53 1.8 3.88 1 1 130 1 . . . . . 3.16 1.8 3.4 1 1 131 1 . . . . . 4.5 1.8 4.95 1 1 132 1 . . . . . 2.71 1.8 2.98 1 1 133 1 . . . . . 2.52 1.8 2.77 1 1 134 1 . . . . . 3.22 1.8 3.54 1 1 135 1 . . . . . 2.81 1.8 3.09 1 1 136 1 . . . . . 4.5 1.8 4.95 1 1 137 1 . . . . . 4.5 1.8 4.95 1 1 138 1 . . . . . 4.5 1.8 4.95 1 1 139 1 . . . . . 2.83 1.8 3.11 1 1 140 1 . . . . . 3.46 1.8 3.81 1 1 141 1 . . . . . 3.1 1.8 3.41 1 1 142 1 . . . . . 3.27 1.8 3.6 1 1 143 1 . . . . . 4.5 1.8 4.95 1 1 144 1 . . . . . 3.09 1.8 3.4 1 1 145 1 . . . . . 4.27 1.8 4.7 1 1 146 1 . . . . . 2.65 1.8 2.92 1 1 147 1 . . . . . 4.5 1.8 4.95 1 1 148 1 . . . . . 3.6 1.8 3.96 1 1 149 1 . . . . . 2.0 1.7 2.3 1 1 150 1 . . . . . 3.0 2.7 3.3 1 1 151 1 . . . . . 2.94 1.8 3.23 1 1 152 1 . . . . . 2.33 1.8 2.56 1 1 153 1 . . . . . 2.36 1.8 2.6 1 1 154 1 . . . . . 2.59 1.8 2.85 1 1 155 1 . . . . . 4.5 1.8 4.95 1 1 156 1 . . . . . 4.5 1.8 4.95 1 1 157 1 . . . . . 4.5 1.8 4.95 1 1 158 1 . . . . . 4.03 1.8 4.43 1 1 159 1 . . . . . 2.77 1.8 3.05 1 1 160 1 . . . . . 3.96 1.8 4.36 1 1 161 1 . . . . . 3.78 1.8 4.16 1 1 162 1 . . . . . 3.77 1.8 4.15 1 1 163 1 . . . . . 4.36 1.8 4.8 1 1 164 1 . . . . . 2.91 1.8 3.2 1 1 165 1 . . . . . 4.05 1.8 4.76 1 1 166 1 . . . . . 2.0 1.7 2.3 1 1 167 1 . . . . . 3.69 1.8 4.06 1 1 168 1 . . . . . 4.31 1.8 4.74 1 1 169 1 . . . . . 4.5 1.8 4.95 1 1 170 1 . . . . . 2.26 1.8 2.49 1 1 171 1 . . . . . 3.3 1.8 3.63 1 1 172 1 . . . . . 4.5 1.8 4.95 1 1 173 1 . . . . . 2.92 1.8 3.21 1 1 174 1 . . . . . 2.29 1.8 2.52 1 1 175 1 . . . . . 3.93 1.8 4.32 1 1 176 1 . . . . . 4.5 1.8 4.95 1 1 177 1 . . . . . 4.5 1.8 4.95 1 1 178 1 . . . . . 3.17 1.8 3.49 1 1 179 1 . . . . . 3.0 1.8 3.3 1 1 180 1 . . . . . 4.5 1.8 4.95 1 1 181 1 . . . . . 2.62 1.8 2.88 1 1 182 1 . . . . . 4.5 1.8 4.95 1 1 183 1 . . . . . 3.13 1.8 3.44 1 1 184 1 . . . . . 3.0 2.7 3.3 1 1 185 1 . . . . . 2.0 1.7 2.3 1 1 186 1 . . . . . 3.0 2.7 3.3 1 1 187 1 . . . . . 2.57 1.8 2.83 1 1 188 1 . . . . . 4.5 1.8 4.95 1 1 189 1 . . . . . 3.53 1.8 3.88 1 1 190 1 . . . . . 4.5 1.8 4.95 1 1 191 1 . . . . . 4.5 1.8 4.95 1 1 192 1 . . . . . 3.09 1.8 3.4 1 1 193 1 . . . . . 3.44 1.8 3.78 1 1 194 1 . . . . . 4.1 1.8 4.51 1 1 195 1 . . . . . 3.63 1.8 3.99 1 1 196 1 . . . . . 2.0 1.7 2.3 1 1 197 1 . . . . . 2.8 1.8 3.08 1 1 198 1 . . . . . 2.99 1.8 3.29 1 1 199 1 . . . . . 4.22 1.8 4.64 1 1 200 1 . . . . . 2.72 1.8 2.99 1 1 201 1 . . . . . 3.59 1.8 3.95 1 1 202 1 . . . . . 4.5 1.8 4.95 1 1 203 1 . . . . . 3.89 1.8 4.28 1 1 204 1 . . . . . 4.5 1.8 4.95 1 1 205 1 . . . . . 4.5 1.8 4.95 1 1 206 1 . . . . . 3.43 1.8 4.07 1 1 207 1 . . . . . 3.42 1.8 3.76 1 1 208 1 . . . . . 3.96 1.8 4.66 1 1 209 1 . . . . . 4.5 1.8 5.25 1 1 210 1 . . . . . 4.5 1.8 4.95 1 1 211 1 . . . . . 4.5 1.8 4.95 1 1 212 1 . . . . . 4.5 1.8 4.95 1 1 213 1 . . . . . 4.5 1.8 4.95 1 1 214 1 . . . . . 3.0 2.7 3.3 1 1 215 1 . . . . . 2.81 1.8 3.09 1 1 216 1 . . . . . 4.5 1.8 5.25 1 1 217 1 . . . . . 3.53 1.8 3.88 1 1 218 1 . . . . . 2.31 1.8 2.54 1 1 219 1 . . . . . 2.5 1.8 3.05 1 1 220 1 . . . . . 3.01 1.8 3.31 1 1 221 1 . . . . . 2.69 1.8 3.26 1 1 222 1 . . . . . 2.71 1.8 2.98 1 1 223 1 . . . . . 2.9 1.8 3.19 1 1 224 1 . . . . . 3.04 1.8 3.34 1 1 225 1 . . . . . 2.73 1.8 3.0 1 1 226 1 . . . . . 3.22 1.8 3.54 1 1 227 1 . . . . . 3.56 1.8 3.92 1 1 228 1 . . . . . 2.53 1.8 2.78 1 1 229 1 . . . . . 4.5 1.8 4.95 1 1 230 1 . . . . . 2.48 1.8 2.73 1 1 231 1 . . . . . 3.04 1.8 3.34 1 1 232 1 . . . . . 3.59 1.8 3.95 1 1 233 1 . . . . . 3.08 1.8 3.39 1 1 234 1 . . . . . 2.89 1.8 3.18 1 1 235 1 . . . . . 2.58 1.8 2.84 1 1 236 1 . . . . . 2.53 1.8 2.78 1 1 237 1 . . . . . 2.52 1.8 2.77 1 1 238 1 . . . . . 2.77 1.8 3.05 1 1 239 1 . . . . . 2.51 1.8 2.76 1 1 240 1 . . . . . 3.78 1.8 4.16 1 1 241 1 . . . . . 3.65 1.8 4.01 1 1 242 1 . . . . . 3.59 1.8 3.95 1 1 243 1 . . . . . 3.29 1.8 3.62 1 1 244 1 . . . . . 3.69 1.8 4.36 1 1 245 1 . . . . . 4.5 1.8 4.95 1 1 246 1 . . . . . 3.37 1.8 4.01 1 1 247 1 . . . . . 2.96 1.8 3.26 1 1 248 1 . . . . . 2.99 1.8 3.59 1 1 249 1 . . . . . 2.82 1.8 3.1 1 1 250 1 . . . . . 3.46 1.8 4.11 1 1 251 1 . . . . . 2.28 1.8 2.51 1 1 252 1 . . . . . 2.71 1.8 3.28 1 1 253 1 . . . . . 2.48 1.8 3.03 1 1 254 1 . . . . . 4.5 1.8 4.95 1 1 255 1 . . . . . 3.42 1.8 4.06 1 1 256 1 . . . . . 2.77 1.8 3.35 1 1 257 1 . . . . . 3.48 1.8 3.83 1 1 258 1 . . . . . 4.45 1.8 4.9 1 1 259 1 . . . . . 3.34 1.8 3.97 1 1 260 1 . . . . . 3.17 1.8 3.79 1 1 261 1 . . . . . 2.69 1.8 2.96 1 1 262 1 . . . . . 3.18 1.8 3.5 1 1 263 1 . . . . . 2.68 1.8 2.95 1 1 264 1 . . . . . 2.45 1.8 2.7 1 1 265 1 . . . . . 2.33 1.8 2.56 1 1 266 1 . . . . . 4.39 1.8 4.83 1 1 267 1 . . . . . 2.93 1.8 3.22 1 1 268 1 . . . . . 3.51 1.8 3.86 1 1 269 1 . . . . . 3.5 1.8 3.85 1 1 270 1 . . . . . 2.74 1.8 3.01 1 1 271 1 . . . . . 3.92 1.8 4.31 1 1 272 1 . . . . . 3.33 1.8 3.66 1 1 273 1 . . . . . 2.91 1.8 3.2 1 1 274 1 . . . . . 4.5 1.8 4.95 1 1 275 1 . . . . . 2.97 1.8 3.27 1 1 276 1 . . . . . 3.79 1.8 4.17 1 1 277 1 . . . . . 2.58 1.8 2.84 1 1 278 1 . . . . . 3.5 1.8 3.85 1 1 279 1 . . . . . 3.23 1.8 3.55 1 1 280 1 . . . . . 4.5 1.8 4.95 1 1 281 1 . . . . . 2.97 1.8 3.27 1 1 282 1 . . . . . 4.5 1.8 4.95 1 1 283 1 . . . . . 3.6 1.8 3.96 1 1 284 1 . . . . . 4.5 1.8 4.95 1 1 285 1 . . . . . 4.5 1.8 4.95 1 1 286 1 . . . . . 2.96 1.8 3.26 1 1 287 1 . . . . . 2.18 1.8 2.4 1 1 288 1 . . . . . 4.5 1.8 4.95 1 1 289 1 . . . . . 4.5 1.8 4.95 1 1 290 1 . . . . . 3.45 1.8 4.1 1 1 291 1 . . . . . 4.1 1.8 4.51 1 1 292 1 . . . . . 3.63 1.8 3.99 1 1 293 1 . . . . . 4.32 1.8 4.75 1 1 294 1 . . . . . 3.54 1.8 4.19 1 1 295 1 . . . . . 3.14 1.8 3.75 1 1 296 1 . . . . . 4.5 1.8 4.95 1 1 297 1 . . . . . 4.5 1.8 4.95 1 1 298 1 . . . . . 2.98 1.8 3.58 1 1 299 1 . . . . . 2.88 1.8 3.47 1 1 300 1 . . . . . 3.57 1.8 3.93 1 1 301 1 . . . . . 3.31 1.8 3.64 1 1 302 1 . . . . . 2.44 1.8 2.68 1 1 303 1 . . . . . 4.45 1.8 4.9 1 1 304 1 . . . . . 2.96 1.8 3.56 1 1 305 1 . . . . . 3.71 1.8 4.38 1 1 306 1 . . . . . 2.99 1.8 3.59 1 1 307 1 . . . . . 3.02 1.8 3.62 1 1 308 1 . . . . . 2.0 1.7 2.3 1 1 309 1 . . . . . 3.0 2.7 3.3 1 1 310 1 . . . . . 2.55 1.8 2.81 1 1 311 1 . . . . . 3.4 1.8 3.74 1 1 312 1 . . . . . 3.06 1.8 3.37 1 1 313 1 . . . . . 2.87 1.8 3.16 1 1 314 1 . . . . . 3.13 1.8 3.44 1 1 315 1 . . . . . 3.28 1.8 3.61 1 1 316 1 . . . . . 4.48 1.8 4.93 1 1 317 1 . . . . . 4.09 1.8 4.5 1 1 318 1 . . . . . 2.94 1.8 3.23 1 1 319 1 . . . . . 2.51 1.8 3.06 1 1 320 1 . . . . . 2.79 1.8 3.07 1 1 321 1 . . . . . 2.41 1.8 2.95 1 1 322 1 . . . . . 3.21 1.8 3.53 1 1 323 1 . . . . . 3.33 1.8 3.66 1 1 324 1 . . . . . 4.5 1.8 4.95 1 1 325 1 . . . . . 2.56 1.8 2.82 1 1 326 1 . . . . . 4.5 1.8 4.95 1 1 327 1 . . . . . 3.74 1.8 4.41 1 1 328 1 . . . . . 4.5 1.8 5.25 1 1 329 1 . . . . . 4.5 1.8 5.25 1 1 330 1 . . . . . 3.8 1.8 4.48 1 1 331 1 . . . . . 2.66 1.8 2.93 1 1 332 1 . . . . . 2.62 1.8 2.88 1 1 333 1 . . . . . 3.04 1.8 3.34 1 1 334 1 . . . . . 2.95 1.8 3.25 1 1 335 1 . . . . . 2.45 1.8 2.7 1 1 336 1 . . . . . 3.1 1.8 3.41 1 1 337 1 . . . . . 2.45 1.8 2.7 1 1 338 1 . . . . . 4.5 1.8 4.95 1 1 339 1 . . . . . 2.97 1.8 3.27 1 1 340 1 . . . . . 4.5 1.8 4.95 1 1 341 1 . . . . . 3.02 1.8 3.32 1 1 342 1 . . . . . 4.5 1.8 4.95 1 1 343 1 . . . . . 3.03 1.8 3.33 1 1 344 1 . . . . . 2.64 1.8 2.9 1 1 345 1 . . . . . 3.84 1.8 4.22 1 1 346 1 . . . . . 4.5 1.8 4.95 1 1 347 1 . . . . . 2.64 1.8 2.9 1 1 348 1 . . . . . 2.56 1.8 2.82 1 1 349 1 . . . . . 4.5 1.8 4.95 1 1 350 1 . . . . . 2.98 1.8 3.28 1 1 351 1 . . . . . 3.27 1.8 3.6 1 1 352 1 . . . . . 3.58 1.8 3.94 1 1 353 1 . . . . . 4.5 1.8 4.95 1 1 354 1 . . . . . 3.71 1.8 4.08 1 1 355 1 . . . . . 2.98 1.8 3.28 1 1 356 1 . . . . . 3.86 1.8 4.25 1 1 357 1 . . . . . 3.2 1.8 3.52 1 1 358 1 . . . . . 3.2 1.8 3.52 1 1 359 1 . . . . . 4.5 1.8 5.25 1 1 360 1 . . . . . 4.5 1.8 4.95 1 1 361 1 . . . . . 3.69 1.8 4.06 1 1 362 1 . . . . . 4.5 1.8 4.95 1 1 363 1 . . . . . 4.5 1.8 4.95 1 1 364 1 . . . . . 4.5 1.8 4.95 1 1 365 1 . . . . . 2.51 1.8 3.06 1 1 366 1 . . . . . 2.55 1.8 2.81 1 1 367 1 . . . . . 2.62 1.8 2.88 1 1 368 1 . . . . . 2.0 1.7 2.3 1 1 369 1 . . . . . 3.0 2.7 3.3 1 1 370 1 . . . . . 2.86 1.8 3.15 1 1 371 1 . . . . . 2.7 1.8 2.97 1 1 372 1 . . . . . 3.82 1.8 4.2 1 1 373 1 . . . . . 2.87 1.8 3.16 1 1 374 1 . . . . . 4.5 1.8 4.95 1 1 375 1 . . . . . 2.39 1.8 2.63 1 1 376 1 . . . . . 4.5 1.8 4.95 1 1 377 1 . . . . . 4.5 1.8 4.95 1 1 378 1 . . . . . 2.6 1.8 2.86 1 1 379 1 . . . . . 4.5 1.8 4.95 1 1 380 1 . . . . . 4.12 1.8 4.53 1 1 381 1 . . . . . 2.82 1.8 3.1 1 1 382 1 . . . . . 2.95 1.8 3.25 1 1 383 1 . . . . . 3.3 1.8 3.63 1 1 384 1 . . . . . 3.8 1.8 4.18 1 1 385 1 . . . . . 2.93 1.8 3.22 1 1 386 1 . . . . . 2.74 1.8 3.01 1 1 387 1 . . . . . 2.77 1.8 3.05 1 1 388 1 . . . . . 4.1 1.8 4.51 1 1 389 1 . . . . . 4.5 1.8 4.95 1 1 390 1 . . . . . 2.63 1.8 2.89 1 1 391 1 . . . . . 3.77 1.8 4.15 1 1 392 1 . . . . . 3.44 1.8 3.78 1 1 393 1 . . . . . 2.86 1.8 3.15 1 1 394 1 . . . . . 3.52 1.8 3.87 1 1 395 1 . . . . . 2.89 1.8 3.18 1 1 396 1 . . . . . 2.38 1.8 2.62 1 1 397 1 . . . . . 3.3 1.8 3.63 1 1 398 1 . . . . . 2.27 1.8 2.5 1 1 399 1 . . . . . 3.45 1.8 3.8 1 1 400 1 . . . . . 3.87 1.8 4.26 1 1 401 1 . . . . . 4.12 1.8 4.53 1 1 402 1 . . . . . 2.88 1.8 3.17 1 1 403 1 . . . . . 3.72 1.8 4.09 1 1 404 1 . . . . . 2.97 1.8 3.27 1 1 405 1 . . . . . 2.57 1.8 2.83 1 1 406 1 . . . . . 2.67 1.8 2.94 1 1 407 1 . . . . . 3.77 1.8 4.15 1 1 408 1 . . . . . 2.36 1.8 2.6 1 1 409 1 . . . . . 2.55 1.8 2.81 1 1 410 1 . . . . . 3.98 1.8 4.38 1 1 411 1 . . . . . 3.24 1.8 3.56 1 1 412 1 . . . . . 2.73 1.8 3.0 1 1 413 1 . . . . . 3.54 1.8 4.19 1 1 414 1 . . . . . 2.64 1.8 2.9 1 1 415 1 . . . . . 3.23 1.8 3.85 1 1 416 1 . . . . . 2.94 1.8 3.23 1 1 417 1 . . . . . 2.45 1.8 2.7 1 1 418 1 . . . . . 2.58 1.8 2.84 1 1 419 1 . . . . . 4.5 1.8 4.95 1 1 420 1 . . . . . 2.35 1.8 2.59 1 1 421 1 . . . . . 3.89 1.8 4.28 1 1 422 1 . . . . . 2.92 1.8 3.21 1 1 423 1 . . . . . 2.64 1.8 2.9 1 1 424 1 . . . . . 4.5 1.8 4.95 1 1 425 1 . . . . . 2.76 1.8 3.04 1 1 426 1 . . . . . 3.21 1.8 3.53 1 1 427 1 . . . . . 4.5 1.8 4.95 1 1 428 1 . . . . . 2.41 1.8 2.65 1 1 429 1 . . . . . 4.5 1.8 4.95 1 1 430 1 . . . . . 2.4 1.8 2.64 1 1 431 1 . . . . . 2.87 1.8 3.16 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 SER C C 15.441 -2.094 5.990 1.00 . A A . 45 SER C 1 1 1 2 1 1 1 SER CA C 16.577 -1.977 7.009 1.00 . A A . 45 SER CA 1 1 1 3 1 1 1 SER CB C 16.630 -3.219 7.898 1.00 . A A . 45 SER CB 1 1 1 4 1 1 1 SER H1 H 15.829 -0.080 7.436 1.00 . A A . 45 SER H1 1 1 1 5 1 1 1 SER H2 H 15.714 -1.173 8.727 1.00 . A A . 45 SER H2 1 1 1 6 1 1 1 SER H3 H 17.218 -0.492 8.323 1.00 . A A . 45 SER H3 1 1 1 7 1 1 1 SER HA H 17.522 -1.841 6.508 1.00 . A A . 45 SER HA 1 1 1 8 1 1 1 SER HB2 H 16.460 -2.939 8.924 1.00 . A A . 45 SER HB2 1 1 1 9 1 1 1 SER HB3 H 15.864 -3.916 7.586 1.00 . A A . 45 SER HB3 1 1 1 10 1 1 1 SER HG H 18.561 -3.123 7.675 1.00 . A A . 45 SER HG 1 1 1 11 1 1 1 SER N N 16.315 -0.845 7.944 1.00 . A A . 45 SER N 1 1 1 12 1 1 1 SER O O 14.355 -2.537 6.305 1.00 . A A . 45 SER O 1 1 1 13 1 1 1 SER OG O 17.913 -3.822 7.784 1.00 . A A . 45 SER OG 1 1 1 14 1 1 2 ASP C C 13.424 -0.916 4.122 1.00 . A A . 46 ASP C 1 1 1 15 1 1 2 ASP CA C 14.618 -1.791 3.731 1.00 . A A . 46 ASP CA 1 1 1 16 1 1 2 ASP CB C 14.216 -3.266 3.702 1.00 . A A . 46 ASP CB 1 1 1 17 1 1 2 ASP CG C 14.468 -3.837 2.306 1.00 . A A . 46 ASP CG 1 1 1 18 1 1 2 ASP H H 16.567 -1.346 4.536 1.00 . A A . 46 ASP H 1 1 1 19 1 1 2 ASP HA H 15.004 -1.495 2.768 1.00 . A A . 46 ASP HA 1 1 1 20 1 1 2 ASP HB2 H 14.801 -3.812 4.427 1.00 . A A . 46 ASP HB2 1 1 1 21 1 1 2 ASP HB3 H 13.168 -3.358 3.943 1.00 . A A . 46 ASP HB3 1 1 1 22 1 1 2 ASP N N 15.685 -1.701 4.769 1.00 . A A . 46 ASP N 1 1 1 23 1 1 2 ASP O O 12.698 -1.218 5.048 1.00 . A A . 46 ASP O 1 1 1 24 1 1 2 ASP OD1 O 15.623 -3.921 1.921 1.00 . A A . 46 ASP OD1 1 1 1 25 1 1 2 ASP OD2 O 13.502 -4.182 1.645 1.00 . A A . 46 ASP OD2 1 1 1 26 1 1 3 GLY C C 12.025 2.227 2.768 1.00 . A A . 47 GLY C 1 1 1 27 1 1 3 GLY CA C 12.067 1.058 3.755 1.00 . A A . 47 GLY CA 1 1 1 28 1 1 3 GLY H H 13.811 0.392 2.678 1.00 . A A . 47 GLY H 1 1 1 29 1 1 3 GLY HA2 H 11.146 0.498 3.691 1.00 . A A . 47 GLY HA2 1 1 1 30 1 1 3 GLY HA3 H 12.188 1.442 4.757 1.00 . A A . 47 GLY HA3 1 1 1 31 1 1 3 GLY N N 13.215 0.166 3.423 1.00 . A A . 47 GLY N 1 1 1 32 1 1 3 GLY O O 12.131 3.376 3.148 1.00 . A A . 47 GLY O 1 1 1 33 1 1 4 ASP C C 10.521 2.959 -0.310 1.00 . A A . 48 ASP C 1 1 1 34 1 1 4 ASP CA C 11.822 3.039 0.494 1.00 . A A . 48 ASP CA 1 1 1 35 1 1 4 ASP CB C 13.028 2.796 -0.412 1.00 . A A . 48 ASP CB 1 1 1 36 1 1 4 ASP CG C 14.317 3.025 0.381 1.00 . A A . 48 ASP CG 1 1 1 37 1 1 4 ASP H H 11.787 1.009 1.219 1.00 . A A . 48 ASP H 1 1 1 38 1 1 4 ASP HA H 11.910 4.000 0.977 1.00 . A A . 48 ASP HA 1 1 1 39 1 1 4 ASP HB2 H 13.005 1.780 -0.779 1.00 . A A . 48 ASP HB2 1 1 1 40 1 1 4 ASP HB3 H 12.996 3.481 -1.246 1.00 . A A . 48 ASP HB3 1 1 1 41 1 1 4 ASP N N 11.871 1.942 1.505 1.00 . A A . 48 ASP N 1 1 1 42 1 1 4 ASP O O 9.948 3.964 -0.680 1.00 . A A . 48 ASP O 1 1 1 43 1 1 4 ASP OD1 O 14.673 4.174 0.579 1.00 . A A . 48 ASP OD1 1 1 1 44 1 1 4 ASP OD2 O 14.926 2.045 0.778 1.00 . A A . 48 ASP OD2 1 1 1 45 1 1 5 GLN C C 7.752 2.646 -0.892 1.00 . A A . 49 GLN C 1 1 1 46 1 1 5 GLN CA C 8.791 1.626 -1.363 1.00 . A A . 49 GLN CA 1 1 1 47 1 1 5 GLN CB C 8.312 0.207 -1.077 1.00 . A A . 49 GLN CB 1 1 1 48 1 1 5 GLN CD C 9.384 -0.495 -3.212 1.00 . A A . 49 GLN CD 1 1 1 49 1 1 5 GLN CG C 9.267 -0.798 -1.722 1.00 . A A . 49 GLN CG 1 1 1 50 1 1 5 GLN H H 10.532 0.974 -0.275 1.00 . A A . 49 GLN H 1 1 1 51 1 1 5 GLN HA H 8.983 1.742 -2.411 1.00 . A A . 49 GLN HA 1 1 1 52 1 1 5 GLN HB2 H 8.292 0.050 -0.017 1.00 . A A . 49 GLN HB2 1 1 1 53 1 1 5 GLN HB3 H 7.320 0.072 -1.483 1.00 . A A . 49 GLN HB3 1 1 1 54 1 1 5 GLN HE21 H 7.632 0.439 -3.294 1.00 . A A . 49 GLN HE21 1 1 1 55 1 1 5 GLN HE22 H 8.490 0.360 -4.760 1.00 . A A . 49 GLN HE22 1 1 1 56 1 1 5 GLN HG2 H 10.240 -0.718 -1.258 1.00 . A A . 49 GLN HG2 1 1 1 57 1 1 5 GLN HG3 H 8.883 -1.798 -1.587 1.00 . A A . 49 GLN HG3 1 1 1 58 1 1 5 GLN N N 10.053 1.771 -0.582 1.00 . A A . 49 GLN N 1 1 1 59 1 1 5 GLN NE2 N 8.422 0.153 -3.806 1.00 . A A . 49 GLN NE2 1 1 1 60 1 1 5 GLN O O 7.124 3.319 -1.685 1.00 . A A . 49 GLN O 1 1 1 61 1 1 5 GLN OE1 O 10.359 -0.851 -3.844 1.00 . A A . 49 GLN OE1 1 1 1 62 1 1 6 CYS C C 7.187 5.140 1.008 1.00 . A A . 50 CYS C 1 1 1 63 1 1 6 CYS CA C 6.567 3.741 0.918 1.00 . A A . 50 CYS CA 1 1 1 64 1 1 6 CYS CB C 6.201 3.225 2.311 1.00 . A A . 50 CYS CB 1 1 1 65 1 1 6 CYS H H 8.082 2.209 1.015 1.00 . A A . 50 CYS H 1 1 1 66 1 1 6 CYS HA H 5.690 3.757 0.290 1.00 . A A . 50 CYS HA 1 1 1 67 1 1 6 CYS HB2 H 5.770 2.238 2.228 1.00 . A A . 50 CYS HB2 1 1 1 68 1 1 6 CYS HB3 H 7.089 3.180 2.923 1.00 . A A . 50 CYS HB3 1 1 1 69 1 1 6 CYS N N 7.566 2.764 0.394 1.00 . A A . 50 CYS N 1 1 1 70 1 1 6 CYS O O 7.006 5.848 1.979 1.00 . A A . 50 CYS O 1 1 1 71 1 1 6 CYS SG S 4.999 4.345 3.074 1.00 . A A . 50 CYS SG 1 1 1 72 1 1 7 ALA C C 7.640 7.905 -0.691 1.00 . A A . 51 ALA C 1 1 1 73 1 1 7 ALA CA C 8.538 6.898 0.032 1.00 . A A . 51 ALA CA 1 1 1 74 1 1 7 ALA CB C 9.868 6.737 -0.704 1.00 . A A . 51 ALA CB 1 1 1 75 1 1 7 ALA H H 8.046 4.962 -0.773 1.00 . A A . 51 ALA H 1 1 1 76 1 1 7 ALA HA H 8.714 7.210 1.049 1.00 . A A . 51 ALA HA 1 1 1 77 1 1 7 ALA HB1 H 9.771 5.970 -1.458 1.00 . A A . 51 ALA HB1 1 1 1 78 1 1 7 ALA HB2 H 10.133 7.672 -1.176 1.00 . A A . 51 ALA HB2 1 1 1 79 1 1 7 ALA HB3 H 10.638 6.457 -0.002 1.00 . A A . 51 ALA HB3 1 1 1 80 1 1 7 ALA N N 7.913 5.545 0.003 1.00 . A A . 51 ALA N 1 1 1 81 1 1 7 ALA O O 7.794 9.102 -0.552 1.00 . A A . 51 ALA O 1 1 1 82 1 1 8 SER C C 4.339 7.883 -2.051 1.00 . A A . 52 SER C 1 1 1 83 1 1 8 SER CA C 5.789 8.352 -2.193 1.00 . A A . 52 SER CA 1 1 1 84 1 1 8 SER CB C 6.238 8.278 -3.651 1.00 . A A . 52 SER CB 1 1 1 85 1 1 8 SER H H 6.593 6.457 -1.556 1.00 . A A . 52 SER H 1 1 1 86 1 1 8 SER HA H 5.899 9.360 -1.823 1.00 . A A . 52 SER HA 1 1 1 87 1 1 8 SER HB2 H 6.037 9.216 -4.140 1.00 . A A . 52 SER HB2 1 1 1 88 1 1 8 SER HB3 H 7.300 8.074 -3.690 1.00 . A A . 52 SER HB3 1 1 1 89 1 1 8 SER HG H 4.797 7.648 -4.798 1.00 . A A . 52 SER HG 1 1 1 90 1 1 8 SER N N 6.701 7.427 -1.460 1.00 . A A . 52 SER N 1 1 1 91 1 1 8 SER O O 3.516 8.108 -2.915 1.00 . A A . 52 SER O 1 1 1 92 1 1 8 SER OG O 5.519 7.244 -4.311 1.00 . A A . 52 SER OG 1 1 1 93 1 1 9 SER C C 2.153 5.964 -1.998 1.00 . A A . 53 SER C 1 1 1 94 1 1 9 SER CA C 2.626 6.745 -0.767 1.00 . A A . 53 SER CA 1 1 1 95 1 1 9 SER CB C 1.789 8.009 -0.579 1.00 . A A . 53 SER CB 1 1 1 96 1 1 9 SER H H 4.701 7.058 -0.282 1.00 . A A . 53 SER H 1 1 1 97 1 1 9 SER HA H 2.563 6.128 0.116 1.00 . A A . 53 SER HA 1 1 1 98 1 1 9 SER HB2 H 0.868 7.763 -0.078 1.00 . A A . 53 SER HB2 1 1 1 99 1 1 9 SER HB3 H 2.343 8.720 0.021 1.00 . A A . 53 SER HB3 1 1 1 100 1 1 9 SER HG H 1.227 9.485 -1.716 1.00 . A A . 53 SER HG 1 1 1 101 1 1 9 SER N N 4.021 7.230 -0.967 1.00 . A A . 53 SER N 1 1 1 102 1 1 9 SER O O 1.309 6.424 -2.739 1.00 . A A . 53 SER O 1 1 1 103 1 1 9 SER OG O 1.493 8.573 -1.850 1.00 . A A . 53 SER OG 1 1 1 104 1 1 10 PRO C C 0.991 3.292 -3.090 1.00 . A A . 54 PRO C 1 1 1 105 1 1 10 PRO CA C 2.358 3.942 -3.323 1.00 . A A . 54 PRO CA 1 1 1 106 1 1 10 PRO CB C 3.459 2.885 -3.345 1.00 . A A . 54 PRO CB 1 1 1 107 1 1 10 PRO CD C 3.745 4.188 -1.319 1.00 . A A . 54 PRO CD 1 1 1 108 1 1 10 PRO CG C 3.990 2.837 -1.946 1.00 . A A . 54 PRO CG 1 1 1 109 1 1 10 PRO HA H 2.365 4.505 -4.241 1.00 . A A . 54 PRO HA 1 1 1 110 1 1 10 PRO HB2 H 3.048 1.925 -3.626 1.00 . A A . 54 PRO HB2 1 1 1 111 1 1 10 PRO HB3 H 4.243 3.175 -4.028 1.00 . A A . 54 PRO HB3 1 1 1 112 1 1 10 PRO HD2 H 3.379 4.071 -0.307 1.00 . A A . 54 PRO HD2 1 1 1 113 1 1 10 PRO HD3 H 4.645 4.781 -1.334 1.00 . A A . 54 PRO HD3 1 1 1 114 1 1 10 PRO HG2 H 3.475 2.070 -1.385 1.00 . A A . 54 PRO HG2 1 1 1 115 1 1 10 PRO HG3 H 5.050 2.632 -1.962 1.00 . A A . 54 PRO HG3 1 1 1 116 1 1 10 PRO N N 2.722 4.801 -2.171 1.00 . A A . 54 PRO N 1 1 1 117 1 1 10 PRO O O 0.504 2.535 -3.905 1.00 . A A . 54 PRO O 1 1 1 118 1 1 11 CYS C C -2.069 3.996 -1.957 1.00 . A A . 55 CYS C 1 1 1 119 1 1 11 CYS CA C -0.960 2.974 -1.684 1.00 . A A . 55 CYS CA 1 1 1 120 1 1 11 CYS CB C -0.921 2.610 -0.194 1.00 . A A . 55 CYS CB 1 1 1 121 1 1 11 CYS H H 0.785 4.189 -1.330 1.00 . A A . 55 CYS H 1 1 1 122 1 1 11 CYS HA H -1.109 2.086 -2.278 1.00 . A A . 55 CYS HA 1 1 1 123 1 1 11 CYS HB2 H -1.095 3.498 0.396 1.00 . A A . 55 CYS HB2 1 1 1 124 1 1 11 CYS HB3 H -1.693 1.881 0.017 1.00 . A A . 55 CYS HB3 1 1 1 125 1 1 11 CYS N N 0.372 3.579 -1.977 1.00 . A A . 55 CYS N 1 1 1 126 1 1 11 CYS O O -1.807 5.153 -2.217 1.00 . A A . 55 CYS O 1 1 1 127 1 1 11 CYS SG S 0.700 1.914 0.235 1.00 . A A . 55 CYS SG 1 1 1 128 1 1 12 GLN C C -5.486 4.424 -1.067 1.00 . A A . 56 GLN C 1 1 1 129 1 1 12 GLN CA C -4.421 4.531 -2.160 1.00 . A A . 56 GLN CA 1 1 1 130 1 1 12 GLN CB C -5.000 4.108 -3.510 1.00 . A A . 56 GLN CB 1 1 1 131 1 1 12 GLN CD C -4.431 3.700 -5.907 1.00 . A A . 56 GLN CD 1 1 1 132 1 1 12 GLN CG C -3.964 4.354 -4.605 1.00 . A A . 56 GLN CG 1 1 1 133 1 1 12 GLN H H -3.498 2.646 -1.693 1.00 . A A . 56 GLN H 1 1 1 134 1 1 12 GLN HA H -4.046 5.537 -2.223 1.00 . A A . 56 GLN HA 1 1 1 135 1 1 12 GLN HB2 H -5.252 3.058 -3.480 1.00 . A A . 56 GLN HB2 1 1 1 136 1 1 12 GLN HB3 H -5.887 4.687 -3.719 1.00 . A A . 56 GLN HB3 1 1 1 137 1 1 12 GLN HE21 H -6.361 3.852 -5.452 1.00 . A A . 56 GLN HE21 1 1 1 138 1 1 12 GLN HE22 H -6.018 3.126 -6.958 1.00 . A A . 56 GLN HE22 1 1 1 139 1 1 12 GLN HG2 H -3.848 5.418 -4.756 1.00 . A A . 56 GLN HG2 1 1 1 140 1 1 12 GLN HG3 H -3.019 3.927 -4.307 1.00 . A A . 56 GLN HG3 1 1 1 141 1 1 12 GLN N N -3.305 3.579 -1.902 1.00 . A A . 56 GLN N 1 1 1 142 1 1 12 GLN NE2 N -5.709 3.547 -6.124 1.00 . A A . 56 GLN NE2 1 1 1 143 1 1 12 GLN O O -5.454 3.537 -0.237 1.00 . A A . 56 GLN O 1 1 1 144 1 1 12 GLN OE1 O -3.626 3.324 -6.734 1.00 . A A . 56 GLN OE1 1 1 1 145 1 1 13 ASN C C -6.894 5.288 1.374 1.00 . A A . 57 ASN C 1 1 1 146 1 1 13 ASN CA C -7.504 5.283 -0.030 1.00 . A A . 57 ASN CA 1 1 1 147 1 1 13 ASN CB C -8.251 3.975 -0.288 1.00 . A A . 57 ASN CB 1 1 1 148 1 1 13 ASN CG C -8.987 4.062 -1.626 1.00 . A A . 57 ASN CG 1 1 1 149 1 1 13 ASN H H -6.434 6.028 -1.748 1.00 . A A . 57 ASN H 1 1 1 150 1 1 13 ASN HA H -8.175 6.118 -0.152 1.00 . A A . 57 ASN HA 1 1 1 151 1 1 13 ASN HB2 H -7.546 3.158 -0.315 1.00 . A A . 57 ASN HB2 1 1 1 152 1 1 13 ASN HB3 H -8.966 3.806 0.504 1.00 . A A . 57 ASN HB3 1 1 1 153 1 1 13 ASN HD21 H -7.968 2.564 -2.443 1.00 . A A . 57 ASN HD21 1 1 1 154 1 1 13 ASN HD22 H -9.140 3.286 -3.450 1.00 . A A . 57 ASN HD22 1 1 1 155 1 1 13 ASN N N -6.430 5.324 -1.065 1.00 . A A . 57 ASN N 1 1 1 156 1 1 13 ASN ND2 N -8.672 3.235 -2.585 1.00 . A A . 57 ASN ND2 1 1 1 157 1 1 13 ASN O O -7.309 4.550 2.245 1.00 . A A . 57 ASN O 1 1 1 158 1 1 13 ASN OD1 O -9.856 4.892 -1.801 1.00 . A A . 57 ASN OD1 1 1 1 159 1 1 14 GLY C C -4.876 4.769 3.393 1.00 . A A . 58 GLY C 1 1 1 160 1 1 14 GLY CA C -5.282 6.176 2.950 1.00 . A A . 58 GLY CA 1 1 1 161 1 1 14 GLY H H -5.597 6.709 0.887 1.00 . A A . 58 GLY H 1 1 1 162 1 1 14 GLY HA2 H -4.407 6.808 2.909 1.00 . A A . 58 GLY HA2 1 1 1 163 1 1 14 GLY HA3 H -5.986 6.583 3.661 1.00 . A A . 58 GLY HA3 1 1 1 164 1 1 14 GLY N N -5.915 6.120 1.602 1.00 . A A . 58 GLY N 1 1 1 165 1 1 14 GLY O O -4.879 4.453 4.566 1.00 . A A . 58 GLY O 1 1 1 166 1 1 15 GLY C C -2.703 2.574 3.438 1.00 . A A . 59 GLY C 1 1 1 167 1 1 15 GLY CA C -4.112 2.538 2.843 1.00 . A A . 59 GLY CA 1 1 1 168 1 1 15 GLY H H -4.521 4.194 1.525 1.00 . A A . 59 GLY H 1 1 1 169 1 1 15 GLY HA2 H -4.805 2.146 3.577 1.00 . A A . 59 GLY HA2 1 1 1 170 1 1 15 GLY HA3 H -4.115 1.906 1.966 1.00 . A A . 59 GLY HA3 1 1 1 171 1 1 15 GLY N N -4.522 3.921 2.466 1.00 . A A . 59 GLY N 1 1 1 172 1 1 15 GLY O O -1.954 3.507 3.224 1.00 . A A . 59 GLY O 1 1 1 173 1 1 16 SER C C 0.060 1.111 3.743 1.00 . A A . 60 SER C 1 1 1 174 1 1 16 SER CA C -0.970 1.551 4.785 1.00 . A A . 60 SER CA 1 1 1 175 1 1 16 SER CB C -1.052 0.534 5.921 1.00 . A A . 60 SER CB 1 1 1 176 1 1 16 SER H H -2.950 0.824 4.341 1.00 . A A . 60 SER H 1 1 1 177 1 1 16 SER HA H -0.719 2.524 5.177 1.00 . A A . 60 SER HA 1 1 1 178 1 1 16 SER HB2 H -2.079 0.254 6.083 1.00 . A A . 60 SER HB2 1 1 1 179 1 1 16 SER HB3 H -0.479 -0.346 5.658 1.00 . A A . 60 SER HB3 1 1 1 180 1 1 16 SER HG H -1.209 1.058 7.789 1.00 . A A . 60 SER HG 1 1 1 181 1 1 16 SER N N -2.333 1.568 4.181 1.00 . A A . 60 SER N 1 1 1 182 1 1 16 SER O O -0.285 0.635 2.681 1.00 . A A . 60 SER O 1 1 1 183 1 1 16 SER OG O -0.532 1.115 7.110 1.00 . A A . 60 SER OG 1 1 1 184 1 1 17 CYS C C 3.441 0.011 3.745 1.00 . A A . 61 CYS C 1 1 1 185 1 1 17 CYS CA C 2.368 0.858 3.052 1.00 . A A . 61 CYS CA 1 1 1 186 1 1 17 CYS CB C 2.968 2.169 2.539 1.00 . A A . 61 CYS CB 1 1 1 187 1 1 17 CYS H H 1.583 1.656 4.895 1.00 . A A . 61 CYS H 1 1 1 188 1 1 17 CYS HA H 1.925 0.311 2.236 1.00 . A A . 61 CYS HA 1 1 1 189 1 1 17 CYS HB2 H 3.757 1.953 1.834 1.00 . A A . 61 CYS HB2 1 1 1 190 1 1 17 CYS HB3 H 2.200 2.750 2.051 1.00 . A A . 61 CYS HB3 1 1 1 191 1 1 17 CYS N N 1.322 1.268 4.033 1.00 . A A . 61 CYS N 1 1 1 192 1 1 17 CYS O O 4.245 0.512 4.505 1.00 . A A . 61 CYS O 1 1 1 193 1 1 17 CYS SG S 3.643 3.114 3.927 1.00 . A A . 61 CYS SG 1 1 1 194 1 1 18 LYS C C 5.627 -2.434 3.164 1.00 . A A . 62 LYS C 1 1 1 195 1 1 18 LYS CA C 4.493 -2.130 4.144 1.00 . A A . 62 LYS CA 1 1 1 196 1 1 18 LYS CB C 3.761 -3.415 4.533 1.00 . A A . 62 LYS CB 1 1 1 197 1 1 18 LYS CD C 4.048 -5.791 5.241 1.00 . A A . 62 LYS CD 1 1 1 198 1 1 18 LYS CE C 5.003 -6.731 5.978 1.00 . A A . 62 LYS CE 1 1 1 199 1 1 18 LYS CG C 4.782 -4.502 4.870 1.00 . A A . 62 LYS CG 1 1 1 200 1 1 18 LYS H H 2.805 -1.664 2.874 1.00 . A A . 62 LYS H 1 1 1 201 1 1 18 LYS HA H 4.879 -1.647 5.028 1.00 . A A . 62 LYS HA 1 1 1 202 1 1 18 LYS HB2 H 3.136 -3.227 5.394 1.00 . A A . 62 LYS HB2 1 1 1 203 1 1 18 LYS HB3 H 3.151 -3.744 3.709 1.00 . A A . 62 LYS HB3 1 1 1 204 1 1 18 LYS HD2 H 3.209 -5.554 5.879 1.00 . A A . 62 LYS HD2 1 1 1 205 1 1 18 LYS HD3 H 3.691 -6.272 4.343 1.00 . A A . 62 LYS HD3 1 1 1 206 1 1 18 LYS HE2 H 5.747 -7.119 5.295 1.00 . A A . 62 LYS HE2 1 1 1 207 1 1 18 LYS HE3 H 5.477 -6.219 6.800 1.00 . A A . 62 LYS HE3 1 1 1 208 1 1 18 LYS HG2 H 5.415 -4.681 4.012 1.00 . A A . 62 LYS HG2 1 1 1 209 1 1 18 LYS HG3 H 5.388 -4.182 5.704 1.00 . A A . 62 LYS HG3 1 1 1 210 1 1 18 LYS HZ1 H 3.340 -7.427 7.019 1.00 . A A . 62 LYS HZ1 1 1 1 211 1 1 18 LYS HZ2 H 3.781 -8.392 5.692 1.00 . A A . 62 LYS HZ2 1 1 1 212 1 1 18 LYS HZ3 H 4.697 -8.445 7.118 1.00 . A A . 62 LYS HZ3 1 1 1 213 1 1 18 LYS N N 3.463 -1.270 3.492 1.00 . A A . 62 LYS N 1 1 1 214 1 1 18 LYS NZ N 4.141 -7.831 6.490 1.00 . A A . 62 LYS NZ 1 1 1 215 1 1 18 LYS O O 5.440 -2.436 1.964 1.00 . A A . 62 LYS O 1 1 1 216 1 1 19 ASP C C 8.326 -4.476 2.869 1.00 . A A . 63 ASP C 1 1 1 217 1 1 19 ASP CA C 7.949 -2.996 2.765 1.00 . A A . 63 ASP CA 1 1 1 218 1 1 19 ASP CB C 9.092 -2.114 3.267 1.00 . A A . 63 ASP CB 1 1 1 219 1 1 19 ASP CG C 10.149 -1.973 2.170 1.00 . A A . 63 ASP CG 1 1 1 220 1 1 19 ASP H H 6.932 -2.686 4.638 1.00 . A A . 63 ASP H 1 1 1 221 1 1 19 ASP HA H 7.706 -2.738 1.747 1.00 . A A . 63 ASP HA 1 1 1 222 1 1 19 ASP HB2 H 8.708 -1.139 3.526 1.00 . A A . 63 ASP HB2 1 1 1 223 1 1 19 ASP HB3 H 9.541 -2.568 4.139 1.00 . A A . 63 ASP HB3 1 1 1 224 1 1 19 ASP N N 6.802 -2.692 3.668 1.00 . A A . 63 ASP N 1 1 1 225 1 1 19 ASP O O 8.718 -4.956 3.913 1.00 . A A . 63 ASP O 1 1 1 226 1 1 19 ASP OD1 O 10.974 -2.863 2.051 1.00 . A A . 63 ASP OD1 1 1 1 227 1 1 19 ASP OD2 O 10.113 -0.977 1.466 1.00 . A A . 63 ASP OD2 1 1 1 228 1 1 20 GLN C C 9.936 -6.872 1.158 1.00 . A A . 64 GLN C 1 1 1 229 1 1 20 GLN CA C 8.576 -6.653 1.826 1.00 . A A . 64 GLN CA 1 1 1 230 1 1 20 GLN CB C 7.473 -7.421 1.065 1.00 . A A . 64 GLN CB 1 1 1 231 1 1 20 GLN CD C 5.264 -7.295 -0.106 1.00 . A A . 64 GLN CD 1 1 1 232 1 1 20 GLN CG C 6.381 -6.476 0.545 1.00 . A A . 64 GLN CG 1 1 1 233 1 1 20 GLN H H 7.901 -4.789 0.957 1.00 . A A . 64 GLN H 1 1 1 234 1 1 20 GLN HA H 8.612 -6.994 2.850 1.00 . A A . 64 GLN HA 1 1 1 235 1 1 20 GLN HB2 H 7.917 -7.937 0.228 1.00 . A A . 64 GLN HB2 1 1 1 236 1 1 20 GLN HB3 H 7.025 -8.147 1.729 1.00 . A A . 64 GLN HB3 1 1 1 237 1 1 20 GLN HE21 H 4.666 -8.100 1.611 1.00 . A A . 64 GLN HE21 1 1 1 238 1 1 20 GLN HE22 H 3.790 -8.587 0.230 1.00 . A A . 64 GLN HE22 1 1 1 239 1 1 20 GLN HG2 H 5.976 -5.905 1.370 1.00 . A A . 64 GLN HG2 1 1 1 240 1 1 20 GLN HG3 H 6.803 -5.804 -0.185 1.00 . A A . 64 GLN HG3 1 1 1 241 1 1 20 GLN N N 8.215 -5.200 1.790 1.00 . A A . 64 GLN N 1 1 1 242 1 1 20 GLN NE2 N 4.511 -8.056 0.640 1.00 . A A . 64 GLN NE2 1 1 1 243 1 1 20 GLN O O 10.685 -5.940 0.935 1.00 . A A . 64 GLN O 1 1 1 244 1 1 20 GLN OE1 O 5.074 -7.241 -1.304 1.00 . A A . 64 GLN OE1 1 1 1 245 1 1 21 LEU C C 11.464 -8.339 -1.319 1.00 . A A . 65 LEU C 1 1 1 246 1 1 21 LEU CA C 11.589 -8.370 0.204 1.00 . A A . 65 LEU CA 1 1 1 247 1 1 21 LEU CB C 11.981 -9.767 0.682 1.00 . A A . 65 LEU CB 1 1 1 248 1 1 21 LEU CD1 C 11.220 -10.724 2.861 1.00 . A A . 65 LEU CD1 1 1 1 249 1 1 21 LEU CD2 C 13.630 -10.168 2.514 1.00 . A A . 65 LEU CD2 1 1 1 250 1 1 21 LEU CG C 12.192 -9.749 2.197 1.00 . A A . 65 LEU CG 1 1 1 251 1 1 21 LEU H H 9.657 -8.836 1.042 1.00 . A A . 65 LEU H 1 1 1 252 1 1 21 LEU HA H 12.318 -7.652 0.531 1.00 . A A . 65 LEU HA 1 1 1 253 1 1 21 LEU HB2 H 11.192 -10.464 0.436 1.00 . A A . 65 LEU HB2 1 1 1 254 1 1 21 LEU HB3 H 12.896 -10.072 0.196 1.00 . A A . 65 LEU HB3 1 1 1 255 1 1 21 LEU HD11 H 11.112 -11.603 2.243 1.00 . A A . 65 LEU HD11 1 1 1 256 1 1 21 LEU HD12 H 11.602 -11.010 3.830 1.00 . A A . 65 LEU HD12 1 1 1 257 1 1 21 LEU HD13 H 10.257 -10.248 2.980 1.00 . A A . 65 LEU HD13 1 1 1 258 1 1 21 LEU HD21 H 14.317 -9.543 1.964 1.00 . A A . 65 LEU HD21 1 1 1 259 1 1 21 LEU HD22 H 13.811 -10.058 3.574 1.00 . A A . 65 LEU HD22 1 1 1 260 1 1 21 LEU HD23 H 13.775 -11.200 2.230 1.00 . A A . 65 LEU HD23 1 1 1 261 1 1 21 LEU HG H 12.015 -8.752 2.572 1.00 . A A . 65 LEU HG 1 1 1 262 1 1 21 LEU N N 10.270 -8.097 0.847 1.00 . A A . 65 LEU N 1 1 1 263 1 1 21 LEU O O 12.443 -8.246 -2.032 1.00 . A A . 65 LEU O 1 1 1 264 1 1 22 GLN C C 9.546 -7.010 -3.722 1.00 . A A . 66 GLN C 1 1 1 265 1 1 22 GLN CA C 10.071 -8.382 -3.297 1.00 . A A . 66 GLN CA 1 1 1 266 1 1 22 GLN CB C 9.033 -9.468 -3.582 1.00 . A A . 66 GLN CB 1 1 1 267 1 1 22 GLN CD C 9.384 -11.937 -3.741 1.00 . A A . 66 GLN CD 1 1 1 268 1 1 22 GLN CG C 9.388 -10.733 -2.798 1.00 . A A . 66 GLN CG 1 1 1 269 1 1 22 GLN H H 9.497 -8.481 -1.220 1.00 . A A . 66 GLN H 1 1 1 270 1 1 22 GLN HA H 10.994 -8.608 -3.806 1.00 . A A . 66 GLN HA 1 1 1 271 1 1 22 GLN HB2 H 8.056 -9.120 -3.281 1.00 . A A . 66 GLN HB2 1 1 1 272 1 1 22 GLN HB3 H 9.027 -9.692 -4.638 1.00 . A A . 66 GLN HB3 1 1 1 273 1 1 22 GLN HE21 H 7.823 -11.292 -4.786 1.00 . A A . 66 GLN HE21 1 1 1 274 1 1 22 GLN HE22 H 8.476 -12.775 -5.296 1.00 . A A . 66 GLN HE22 1 1 1 275 1 1 22 GLN HG2 H 10.370 -10.621 -2.360 1.00 . A A . 66 GLN HG2 1 1 1 276 1 1 22 GLN HG3 H 8.660 -10.889 -2.017 1.00 . A A . 66 GLN HG3 1 1 1 277 1 1 22 GLN N N 10.268 -8.411 -1.819 1.00 . A A . 66 GLN N 1 1 1 278 1 1 22 GLN NE2 N 8.486 -12.008 -4.687 1.00 . A A . 66 GLN NE2 1 1 1 279 1 1 22 GLN O O 9.695 -6.596 -4.855 1.00 . A A . 66 GLN O 1 1 1 280 1 1 22 GLN OE1 O 10.206 -12.824 -3.617 1.00 . A A . 66 GLN OE1 1 1 1 281 1 1 23 SER C C 7.715 -4.367 -1.897 1.00 . A A . 67 SER C 1 1 1 282 1 1 23 SER CA C 8.392 -4.954 -3.142 1.00 . A A . 67 SER CA 1 1 1 283 1 1 23 SER CB C 7.383 -5.194 -4.266 1.00 . A A . 67 SER CB 1 1 1 284 1 1 23 SER H H 8.830 -6.662 -1.909 1.00 . A A . 67 SER H 1 1 1 285 1 1 23 SER HA H 9.182 -4.305 -3.483 1.00 . A A . 67 SER HA 1 1 1 286 1 1 23 SER HB2 H 7.896 -5.551 -5.142 1.00 . A A . 67 SER HB2 1 1 1 287 1 1 23 SER HB3 H 6.661 -5.934 -3.948 1.00 . A A . 67 SER HB3 1 1 1 288 1 1 23 SER HG H 6.807 -3.820 -5.518 1.00 . A A . 67 SER HG 1 1 1 289 1 1 23 SER N N 8.934 -6.304 -2.815 1.00 . A A . 67 SER N 1 1 1 290 1 1 23 SER O O 8.367 -4.067 -0.918 1.00 . A A . 67 SER O 1 1 1 291 1 1 23 SER OG O 6.725 -3.972 -4.574 1.00 . A A . 67 SER OG 1 1 1 292 1 1 24 TYR C C 4.228 -3.982 -0.779 1.00 . A A . 68 TYR C 1 1 1 293 1 1 24 TYR CA C 5.722 -3.656 -0.714 1.00 . A A . 68 TYR CA 1 1 1 294 1 1 24 TYR CB C 5.961 -2.149 -0.767 1.00 . A A . 68 TYR CB 1 1 1 295 1 1 24 TYR CD1 C 6.517 -1.615 -3.167 1.00 . A A . 68 TYR CD1 1 1 1 296 1 1 24 TYR CD2 C 4.285 -1.134 -2.351 1.00 . A A . 68 TYR CD2 1 1 1 297 1 1 24 TYR CE1 C 6.161 -1.124 -4.429 1.00 . A A . 68 TYR CE1 1 1 1 298 1 1 24 TYR CE2 C 3.929 -0.642 -3.612 1.00 . A A . 68 TYR CE2 1 1 1 299 1 1 24 TYR CG C 5.578 -1.621 -2.128 1.00 . A A . 68 TYR CG 1 1 1 300 1 1 24 TYR CZ C 4.868 -0.637 -4.651 1.00 . A A . 68 TYR CZ 1 1 1 301 1 1 24 TYR H H 5.897 -4.460 -2.702 1.00 . A A . 68 TYR H 1 1 1 302 1 1 24 TYR HA H 6.154 -4.063 0.187 1.00 . A A . 68 TYR HA 1 1 1 303 1 1 24 TYR HB2 H 5.361 -1.663 -0.010 1.00 . A A . 68 TYR HB2 1 1 1 304 1 1 24 TYR HB3 H 7.008 -1.949 -0.583 1.00 . A A . 68 TYR HB3 1 1 1 305 1 1 24 TYR HD1 H 7.515 -1.990 -2.994 1.00 . A A . 68 TYR HD1 1 1 1 306 1 1 24 TYR HD2 H 3.561 -1.140 -1.549 1.00 . A A . 68 TYR HD2 1 1 1 307 1 1 24 TYR HE1 H 6.885 -1.119 -5.230 1.00 . A A . 68 TYR HE1 1 1 1 308 1 1 24 TYR HE2 H 2.932 -0.267 -3.784 1.00 . A A . 68 TYR HE2 1 1 1 309 1 1 24 TYR HH H 4.628 -0.861 -6.532 1.00 . A A . 68 TYR HH 1 1 1 310 1 1 24 TYR N N 6.416 -4.208 -1.913 1.00 . A A . 68 TYR N 1 1 1 311 1 1 24 TYR O O 3.645 -4.047 -1.843 1.00 . A A . 68 TYR O 1 1 1 312 1 1 24 TYR OH O 4.518 -0.152 -5.895 1.00 . A A . 68 TYR OH 1 1 1 313 1 1 25 ILE C C 1.392 -3.514 1.216 1.00 . A A . 69 ILE C 1 1 1 314 1 1 25 ILE CA C 2.152 -4.516 0.347 1.00 . A A . 69 ILE CA 1 1 1 315 1 1 25 ILE CB C 2.072 -5.921 0.939 1.00 . A A . 69 ILE CB 1 1 1 316 1 1 25 ILE CD1 C 0.737 -8.000 0.638 1.00 . A A . 69 ILE CD1 1 1 1 317 1 1 25 ILE CG1 C 0.663 -6.479 0.744 1.00 . A A . 69 ILE CG1 1 1 1 318 1 1 25 ILE CG2 C 2.396 -5.870 2.433 1.00 . A A . 69 ILE CG2 1 1 1 319 1 1 25 ILE H H 4.091 -4.135 1.196 1.00 . A A . 69 ILE H 1 1 1 320 1 1 25 ILE HA H 1.764 -4.516 -0.660 1.00 . A A . 69 ILE HA 1 1 1 321 1 1 25 ILE HB H 2.785 -6.561 0.440 1.00 . A A . 69 ILE HB 1 1 1 322 1 1 25 ILE HD11 H 1.768 -8.313 0.727 1.00 . A A . 69 ILE HD11 1 1 1 323 1 1 25 ILE HD12 H 0.156 -8.445 1.432 1.00 . A A . 69 ILE HD12 1 1 1 324 1 1 25 ILE HD13 H 0.346 -8.315 -0.317 1.00 . A A . 69 ILE HD13 1 1 1 325 1 1 25 ILE HG12 H 0.046 -6.202 1.587 1.00 . A A . 69 ILE HG12 1 1 1 326 1 1 25 ILE HG13 H 0.238 -6.077 -0.163 1.00 . A A . 69 ILE HG13 1 1 1 327 1 1 25 ILE HG21 H 3.260 -5.242 2.592 1.00 . A A . 69 ILE HG21 1 1 1 328 1 1 25 ILE HG22 H 1.552 -5.464 2.971 1.00 . A A . 69 ILE HG22 1 1 1 329 1 1 25 ILE HG23 H 2.606 -6.868 2.791 1.00 . A A . 69 ILE HG23 1 1 1 330 1 1 25 ILE N N 3.605 -4.190 0.347 1.00 . A A . 69 ILE N 1 1 1 331 1 1 25 ILE O O 1.588 -3.438 2.409 1.00 . A A . 69 ILE O 1 1 1 332 1 1 26 CYS C C -1.391 -2.399 2.166 1.00 . A A . 70 CYS C 1 1 1 333 1 1 26 CYS CA C -0.223 -1.738 1.433 1.00 . A A . 70 CYS CA 1 1 1 334 1 1 26 CYS CB C -0.743 -0.726 0.422 1.00 . A A . 70 CYS CB 1 1 1 335 1 1 26 CYS H H 0.383 -2.799 -0.337 1.00 . A A . 70 CYS H 1 1 1 336 1 1 26 CYS HA H 0.432 -1.250 2.132 1.00 . A A . 70 CYS HA 1 1 1 337 1 1 26 CYS HB2 H -1.395 -1.223 -0.278 1.00 . A A . 70 CYS HB2 1 1 1 338 1 1 26 CYS HB3 H -1.289 0.043 0.944 1.00 . A A . 70 CYS HB3 1 1 1 339 1 1 26 CYS N N 0.530 -2.736 0.629 1.00 . A A . 70 CYS N 1 1 1 340 1 1 26 CYS O O -2.037 -3.292 1.654 1.00 . A A . 70 CYS O 1 1 1 341 1 1 26 CYS SG S 0.643 0.021 -0.466 1.00 . A A . 70 CYS SG 1 1 1 342 1 1 27 PHE C C -3.999 -1.575 4.091 1.00 . A A . 71 PHE C 1 1 1 343 1 1 27 PHE CA C -2.811 -2.538 4.124 1.00 . A A . 71 PHE CA 1 1 1 344 1 1 27 PHE CB C -2.290 -2.704 5.551 1.00 . A A . 71 PHE CB 1 1 1 345 1 1 27 PHE CD1 C -0.123 -3.916 5.116 1.00 . A A . 71 PHE CD1 1 1 1 346 1 1 27 PHE CD2 C -1.925 -5.107 6.218 1.00 . A A . 71 PHE CD2 1 1 1 347 1 1 27 PHE CE1 C 0.679 -5.061 5.189 1.00 . A A . 71 PHE CE1 1 1 1 348 1 1 27 PHE CE2 C -1.122 -6.253 6.291 1.00 . A A . 71 PHE CE2 1 1 1 349 1 1 27 PHE CG C -1.425 -3.939 5.630 1.00 . A A . 71 PHE CG 1 1 1 350 1 1 27 PHE CZ C 0.179 -6.229 5.776 1.00 . A A . 71 PHE CZ 1 1 1 351 1 1 27 PHE H H -1.147 -1.224 3.746 1.00 . A A . 71 PHE H 1 1 1 352 1 1 27 PHE HA H -3.089 -3.497 3.716 1.00 . A A . 71 PHE HA 1 1 1 353 1 1 27 PHE HB2 H -1.706 -1.835 5.825 1.00 . A A . 71 PHE HB2 1 1 1 354 1 1 27 PHE HB3 H -3.127 -2.806 6.228 1.00 . A A . 71 PHE HB3 1 1 1 355 1 1 27 PHE HD1 H 0.262 -3.015 4.662 1.00 . A A . 71 PHE HD1 1 1 1 356 1 1 27 PHE HD2 H -2.929 -5.124 6.615 1.00 . A A . 71 PHE HD2 1 1 1 357 1 1 27 PHE HE1 H 1.683 -5.044 4.791 1.00 . A A . 71 PHE HE1 1 1 1 358 1 1 27 PHE HE2 H -1.509 -7.153 6.744 1.00 . A A . 71 PHE HE2 1 1 1 359 1 1 27 PHE HZ H 0.797 -7.113 5.833 1.00 . A A . 71 PHE HZ 1 1 1 360 1 1 27 PHE N N -1.675 -1.953 3.358 1.00 . A A . 71 PHE N 1 1 1 361 1 1 27 PHE O O -4.197 -0.784 4.993 1.00 . A A . 71 PHE O 1 1 1 362 1 1 28 CYS C C -6.887 -0.908 4.144 1.00 . A A . 72 CYS C 1 1 1 363 1 1 28 CYS CA C -5.953 -0.710 2.948 1.00 . A A . 72 CYS CA 1 1 1 364 1 1 28 CYS CB C -6.658 -1.102 1.648 1.00 . A A . 72 CYS CB 1 1 1 365 1 1 28 CYS H H -4.596 -2.271 2.336 1.00 . A A . 72 CYS H 1 1 1 366 1 1 28 CYS HA H -5.623 0.315 2.894 1.00 . A A . 72 CYS HA 1 1 1 367 1 1 28 CYS HB2 H -7.107 -2.077 1.765 1.00 . A A . 72 CYS HB2 1 1 1 368 1 1 28 CYS HB3 H -7.426 -0.375 1.423 1.00 . A A . 72 CYS HB3 1 1 1 369 1 1 28 CYS N N -4.781 -1.629 3.051 1.00 . A A . 72 CYS N 1 1 1 370 1 1 28 CYS O O -6.641 -1.727 5.007 1.00 . A A . 72 CYS O 1 1 1 371 1 1 28 CYS SG S -5.459 -1.152 0.291 1.00 . A A . 72 CYS SG 1 1 1 372 1 1 29 LEU C C -10.093 -1.180 4.922 1.00 . A A . 73 LEU C 1 1 1 373 1 1 29 LEU CA C -8.906 -0.312 5.343 1.00 . A A . 73 LEU CA 1 1 1 374 1 1 29 LEU CB C -9.370 1.112 5.663 1.00 . A A . 73 LEU CB 1 1 1 375 1 1 29 LEU CD1 C -8.663 3.510 5.766 1.00 . A A . 73 LEU CD1 1 1 1 376 1 1 29 LEU CD2 C -7.239 1.741 6.807 1.00 . A A . 73 LEU CD2 1 1 1 377 1 1 29 LEU CG C -8.172 2.066 5.638 1.00 . A A . 73 LEU CG 1 1 1 378 1 1 29 LEU H H -8.140 0.491 3.496 1.00 . A A . 73 LEU H 1 1 1 379 1 1 29 LEU HA H -8.407 -0.739 6.198 1.00 . A A . 73 LEU HA 1 1 1 380 1 1 29 LEU HB2 H -10.095 1.426 4.926 1.00 . A A . 73 LEU HB2 1 1 1 381 1 1 29 LEU HB3 H -9.823 1.131 6.643 1.00 . A A . 73 LEU HB3 1 1 1 382 1 1 29 LEU HD11 H -9.199 3.627 6.697 1.00 . A A . 73 LEU HD11 1 1 1 383 1 1 29 LEU HD12 H -7.817 4.181 5.751 1.00 . A A . 73 LEU HD12 1 1 1 384 1 1 29 LEU HD13 H -9.321 3.743 4.941 1.00 . A A . 73 LEU HD13 1 1 1 385 1 1 29 LEU HD21 H -7.119 0.670 6.887 1.00 . A A . 73 LEU HD21 1 1 1 386 1 1 29 LEU HD22 H -6.275 2.198 6.638 1.00 . A A . 73 LEU HD22 1 1 1 387 1 1 29 LEU HD23 H -7.663 2.124 7.724 1.00 . A A . 73 LEU HD23 1 1 1 388 1 1 29 LEU HG H -7.638 1.948 4.705 1.00 . A A . 73 LEU HG 1 1 1 389 1 1 29 LEU N N -7.957 -0.164 4.203 1.00 . A A . 73 LEU N 1 1 1 390 1 1 29 LEU O O -10.183 -1.595 3.782 1.00 . A A . 73 LEU O 1 1 1 391 1 1 30 PRO C C -13.013 -1.592 4.481 1.00 . A A . 74 PRO C 1 1 1 392 1 1 30 PRO CA C -12.168 -2.251 5.574 1.00 . A A . 74 PRO CA 1 1 1 393 1 1 30 PRO CB C -12.926 -2.283 6.903 1.00 . A A . 74 PRO CB 1 1 1 394 1 1 30 PRO CD C -10.930 -0.961 7.243 1.00 . A A . 74 PRO CD 1 1 1 395 1 1 30 PRO CG C -11.947 -1.825 7.938 1.00 . A A . 74 PRO CG 1 1 1 396 1 1 30 PRO HA H -11.884 -3.247 5.284 1.00 . A A . 74 PRO HA 1 1 1 397 1 1 30 PRO HB2 H -13.774 -1.610 6.863 1.00 . A A . 74 PRO HB2 1 1 1 398 1 1 30 PRO HB3 H -13.253 -3.288 7.123 1.00 . A A . 74 PRO HB3 1 1 1 399 1 1 30 PRO HD2 H -11.214 0.081 7.308 1.00 . A A . 74 PRO HD2 1 1 1 400 1 1 30 PRO HD3 H -9.948 -1.116 7.661 1.00 . A A . 74 PRO HD3 1 1 1 401 1 1 30 PRO HG2 H -12.458 -1.254 8.702 1.00 . A A . 74 PRO HG2 1 1 1 402 1 1 30 PRO HG3 H -11.455 -2.676 8.383 1.00 . A A . 74 PRO HG3 1 1 1 403 1 1 30 PRO N N -10.969 -1.425 5.857 1.00 . A A . 74 PRO N 1 1 1 404 1 1 30 PRO O O -13.908 -2.193 3.922 1.00 . A A . 74 PRO O 1 1 1 405 1 1 31 ALA C C -12.998 -0.036 1.730 1.00 . A A . 75 ALA C 1 1 1 406 1 1 31 ALA CA C -13.507 0.354 3.121 1.00 . A A . 75 ALA CA 1 1 1 407 1 1 31 ALA CB C -13.253 1.838 3.382 1.00 . A A . 75 ALA CB 1 1 1 408 1 1 31 ALA H H -12.004 0.106 4.641 1.00 . A A . 75 ALA H 1 1 1 409 1 1 31 ALA HA H -14.558 0.137 3.214 1.00 . A A . 75 ALA HA 1 1 1 410 1 1 31 ALA HB1 H -12.193 2.004 3.513 1.00 . A A . 75 ALA HB1 1 1 1 411 1 1 31 ALA HB2 H -13.607 2.418 2.541 1.00 . A A . 75 ALA HB2 1 1 1 412 1 1 31 ALA HB3 H -13.778 2.142 4.275 1.00 . A A . 75 ALA HB3 1 1 1 413 1 1 31 ALA N N -12.729 -0.356 4.175 1.00 . A A . 75 ALA N 1 1 1 414 1 1 31 ALA O O -13.749 -0.090 0.777 1.00 . A A . 75 ALA O 1 1 1 415 1 1 32 PHE C C -10.558 -2.082 0.337 1.00 . A A . 76 PHE C 1 1 1 416 1 1 32 PHE CA C -11.173 -0.681 0.276 1.00 . A A . 76 PHE CA 1 1 1 417 1 1 32 PHE CB C -10.093 0.362 -0.024 1.00 . A A . 76 PHE CB 1 1 1 418 1 1 32 PHE CD1 C -10.475 2.187 1.673 1.00 . A A . 76 PHE CD1 1 1 1 419 1 1 32 PHE CD2 C -11.172 2.563 -0.618 1.00 . A A . 76 PHE CD2 1 1 1 420 1 1 32 PHE CE1 C -10.936 3.461 2.024 1.00 . A A . 76 PHE CE1 1 1 1 421 1 1 32 PHE CE2 C -11.634 3.837 -0.268 1.00 . A A . 76 PHE CE2 1 1 1 422 1 1 32 PHE CG C -10.592 1.738 0.352 1.00 . A A . 76 PHE CG 1 1 1 423 1 1 32 PHE CZ C -11.516 4.286 1.053 1.00 . A A . 76 PHE CZ 1 1 1 424 1 1 32 PHE H H -11.138 -0.249 2.383 1.00 . A A . 76 PHE H 1 1 1 425 1 1 32 PHE HA H -11.943 -0.639 -0.474 1.00 . A A . 76 PHE HA 1 1 1 426 1 1 32 PHE HB2 H -9.204 0.133 0.549 1.00 . A A . 76 PHE HB2 1 1 1 427 1 1 32 PHE HB3 H -9.858 0.343 -1.079 1.00 . A A . 76 PHE HB3 1 1 1 428 1 1 32 PHE HD1 H -10.027 1.550 2.422 1.00 . A A . 76 PHE HD1 1 1 1 429 1 1 32 PHE HD2 H -11.263 2.216 -1.637 1.00 . A A . 76 PHE HD2 1 1 1 430 1 1 32 PHE HE1 H -10.845 3.808 3.042 1.00 . A A . 76 PHE HE1 1 1 1 431 1 1 32 PHE HE2 H -12.082 4.474 -1.017 1.00 . A A . 76 PHE HE2 1 1 1 432 1 1 32 PHE HZ H -11.872 5.269 1.323 1.00 . A A . 76 PHE HZ 1 1 1 433 1 1 32 PHE N N -11.727 -0.301 1.606 1.00 . A A . 76 PHE N 1 1 1 434 1 1 32 PHE O O -10.683 -2.785 1.320 1.00 . A A . 76 PHE O 1 1 1 435 1 1 33 GLU C C -8.290 -3.965 -1.888 1.00 . A A . 77 GLU C 1 1 1 436 1 1 33 GLU CA C -9.267 -3.843 -0.716 1.00 . A A . 77 GLU CA 1 1 1 437 1 1 33 GLU CB C -10.433 -4.818 -0.885 1.00 . A A . 77 GLU CB 1 1 1 438 1 1 33 GLU CD C -9.996 -6.855 -2.265 1.00 . A A . 77 GLU CD 1 1 1 439 1 1 33 GLU CG C -9.906 -6.254 -0.861 1.00 . A A . 77 GLU CG 1 1 1 440 1 1 33 GLU H H -9.805 -1.906 -1.491 1.00 . A A . 77 GLU H 1 1 1 441 1 1 33 GLU HA H -8.762 -4.030 0.218 1.00 . A A . 77 GLU HA 1 1 1 442 1 1 33 GLU HB2 H -11.138 -4.680 -0.079 1.00 . A A . 77 GLU HB2 1 1 1 443 1 1 33 GLU HB3 H -10.924 -4.633 -1.829 1.00 . A A . 77 GLU HB3 1 1 1 444 1 1 33 GLU HG2 H -8.876 -6.253 -0.534 1.00 . A A . 77 GLU HG2 1 1 1 445 1 1 33 GLU HG3 H -10.500 -6.845 -0.180 1.00 . A A . 77 GLU HG3 1 1 1 446 1 1 33 GLU N N -9.893 -2.490 -0.709 1.00 . A A . 77 GLU N 1 1 1 447 1 1 33 GLU O O -8.527 -3.452 -2.963 1.00 . A A . 77 GLU O 1 1 1 448 1 1 33 GLU OE1 O -11.095 -6.919 -2.791 1.00 . A A . 77 GLU OE1 1 1 1 449 1 1 33 GLU OE2 O -8.965 -7.240 -2.791 1.00 . A A . 77 GLU OE2 1 1 1 450 1 1 34 GLY C C -4.812 -4.392 -2.299 1.00 . A A . 78 GLY C 1 1 1 451 1 1 34 GLY CA C -6.203 -4.796 -2.794 1.00 . A A . 78 GLY CA 1 1 1 452 1 1 34 GLY H H -7.018 -5.050 -0.815 1.00 . A A . 78 GLY H 1 1 1 453 1 1 34 GLY HA2 H -6.185 -5.826 -3.120 1.00 . A A . 78 GLY HA2 1 1 1 454 1 1 34 GLY HA3 H -6.485 -4.161 -3.620 1.00 . A A . 78 GLY HA3 1 1 1 455 1 1 34 GLY N N -7.191 -4.643 -1.690 1.00 . A A . 78 GLY N 1 1 1 456 1 1 34 GLY O O -4.670 -3.729 -1.291 1.00 . A A . 78 GLY O 1 1 1 457 1 1 35 ARG C C -2.212 -2.909 -2.623 1.00 . A A . 79 ARG C 1 1 1 458 1 1 35 ARG CA C -2.404 -4.427 -2.573 1.00 . A A . 79 ARG CA 1 1 1 459 1 1 35 ARG CB C -1.486 -5.118 -3.581 1.00 . A A . 79 ARG CB 1 1 1 460 1 1 35 ARG CD C 0.377 -6.619 -2.864 1.00 . A A . 79 ARG CD 1 1 1 461 1 1 35 ARG CG C -0.062 -5.162 -3.028 1.00 . A A . 79 ARG CG 1 1 1 462 1 1 35 ARG CZ C 2.261 -7.619 -4.011 1.00 . A A . 79 ARG CZ 1 1 1 463 1 1 35 ARG H H -3.924 -5.321 -3.811 1.00 . A A . 79 ARG H 1 1 1 464 1 1 35 ARG HA H -2.207 -4.800 -1.579 1.00 . A A . 79 ARG HA 1 1 1 465 1 1 35 ARG HB2 H -1.837 -6.125 -3.756 1.00 . A A . 79 ARG HB2 1 1 1 466 1 1 35 ARG HB3 H -1.493 -4.568 -4.510 1.00 . A A . 79 ARG HB3 1 1 1 467 1 1 35 ARG HD2 H 0.278 -6.927 -1.833 1.00 . A A . 79 ARG HD2 1 1 1 468 1 1 35 ARG HD3 H -0.202 -7.261 -3.508 1.00 . A A . 79 ARG HD3 1 1 1 469 1 1 35 ARG HE H 2.407 -5.913 -3.004 1.00 . A A . 79 ARG HE 1 1 1 470 1 1 35 ARG HG2 H 0.606 -4.658 -3.713 1.00 . A A . 79 ARG HG2 1 1 1 471 1 1 35 ARG HG3 H -0.033 -4.670 -2.067 1.00 . A A . 79 ARG HG3 1 1 1 472 1 1 35 ARG HH11 H 0.819 -7.461 -5.390 1.00 . A A . 79 ARG HH11 1 1 1 473 1 1 35 ARG HH12 H 1.990 -8.707 -5.670 1.00 . A A . 79 ARG HH12 1 1 1 474 1 1 35 ARG HH21 H 3.810 -8.005 -2.802 1.00 . A A . 79 ARG HH21 1 1 1 475 1 1 35 ARG HH22 H 3.684 -9.014 -4.204 1.00 . A A . 79 ARG HH22 1 1 1 476 1 1 35 ARG N N -3.786 -4.787 -3.001 1.00 . A A . 79 ARG N 1 1 1 477 1 1 35 ARG NE N 1.807 -6.637 -3.279 1.00 . A A . 79 ARG NE 1 1 1 478 1 1 35 ARG NH1 N 1.643 -7.955 -5.109 1.00 . A A . 79 ARG NH1 1 1 1 479 1 1 35 ARG NH2 N 3.335 -8.263 -3.644 1.00 . A A . 79 ARG NH2 1 1 1 480 1 1 35 ARG O O -1.293 -2.370 -2.038 1.00 . A A . 79 ARG O 1 1 1 481 1 1 36 ASN C C -4.292 -0.064 -3.186 1.00 . A A . 80 ASN C 1 1 1 482 1 1 36 ASN CA C -2.934 -0.733 -3.412 1.00 . A A . 80 ASN CA 1 1 1 483 1 1 36 ASN CB C -2.440 -0.469 -4.834 1.00 . A A . 80 ASN CB 1 1 1 484 1 1 36 ASN CG C -1.910 0.963 -4.934 1.00 . A A . 80 ASN CG 1 1 1 485 1 1 36 ASN H H -3.801 -2.671 -3.787 1.00 . A A . 80 ASN H 1 1 1 486 1 1 36 ASN HA H -2.211 -0.375 -2.697 1.00 . A A . 80 ASN HA 1 1 1 487 1 1 36 ASN HB2 H -1.647 -1.164 -5.074 1.00 . A A . 80 ASN HB2 1 1 1 488 1 1 36 ASN HB3 H -3.256 -0.598 -5.530 1.00 . A A . 80 ASN HB3 1 1 1 489 1 1 36 ASN HD21 H -0.426 0.476 -6.164 1.00 . A A . 80 ASN HD21 1 1 1 490 1 1 36 ASN HD22 H -0.517 2.127 -5.745 1.00 . A A . 80 ASN HD22 1 1 1 491 1 1 36 ASN N N -3.069 -2.216 -3.321 1.00 . A A . 80 ASN N 1 1 1 492 1 1 36 ASN ND2 N -0.865 1.210 -5.675 1.00 . A A . 80 ASN ND2 1 1 1 493 1 1 36 ASN O O -4.517 1.057 -3.596 1.00 . A A . 80 ASN O 1 1 1 494 1 1 36 ASN OD1 O -2.453 1.867 -4.330 1.00 . A A . 80 ASN OD1 1 1 1 495 1 1 37 CYS C C -7.223 0.177 -3.633 1.00 . A A . 81 CYS C 1 1 1 496 1 1 37 CYS CA C -6.545 -0.149 -2.299 1.00 . A A . 81 CYS CA 1 1 1 497 1 1 37 CYS CB C -6.279 1.133 -1.508 1.00 . A A . 81 CYS CB 1 1 1 498 1 1 37 CYS H H -5.001 -1.650 -2.224 1.00 . A A . 81 CYS H 1 1 1 499 1 1 37 CYS HA H -7.156 -0.821 -1.718 1.00 . A A . 81 CYS HA 1 1 1 500 1 1 37 CYS HB2 H -5.852 1.878 -2.163 1.00 . A A . 81 CYS HB2 1 1 1 501 1 1 37 CYS HB3 H -7.210 1.503 -1.103 1.00 . A A . 81 CYS HB3 1 1 1 502 1 1 37 CYS N N -5.200 -0.745 -2.543 1.00 . A A . 81 CYS N 1 1 1 503 1 1 37 CYS O O -8.210 0.883 -3.684 1.00 . A A . 81 CYS O 1 1 1 504 1 1 37 CYS SG S -5.129 0.789 -0.155 1.00 . A A . 81 CYS SG 1 1 1 505 1 1 38 GLU C C -8.742 -0.597 -6.089 1.00 . A A . 82 GLU C 1 1 1 506 1 1 38 GLU CA C -7.309 -0.054 -6.045 1.00 . A A . 82 GLU CA 1 1 1 507 1 1 38 GLU CB C -6.411 -0.786 -7.048 1.00 . A A . 82 GLU CB 1 1 1 508 1 1 38 GLU CD C -6.323 -1.880 -9.294 1.00 . A A . 82 GLU CD 1 1 1 509 1 1 38 GLU CG C -7.177 -1.029 -8.351 1.00 . A A . 82 GLU CG 1 1 1 510 1 1 38 GLU H H -5.902 -0.901 -4.652 1.00 . A A . 82 GLU H 1 1 1 511 1 1 38 GLU HA H -7.301 1.005 -6.248 1.00 . A A . 82 GLU HA 1 1 1 512 1 1 38 GLU HB2 H -5.538 -0.182 -7.252 1.00 . A A . 82 GLU HB2 1 1 1 513 1 1 38 GLU HB3 H -6.104 -1.734 -6.630 1.00 . A A . 82 GLU HB3 1 1 1 514 1 1 38 GLU HG2 H -8.100 -1.547 -8.134 1.00 . A A . 82 GLU HG2 1 1 1 515 1 1 38 GLU HG3 H -7.396 -0.083 -8.823 1.00 . A A . 82 GLU HG3 1 1 1 516 1 1 38 GLU N N -6.698 -0.333 -4.714 1.00 . A A . 82 GLU N 1 1 1 517 1 1 38 GLU O O -9.521 -0.247 -6.952 1.00 . A A . 82 GLU O 1 1 1 518 1 1 38 GLU OE1 O -5.302 -1.387 -9.745 1.00 . A A . 82 GLU OE1 1 1 1 519 1 1 38 GLU OE2 O -6.704 -3.011 -9.549 1.00 . A A . 82 GLU OE2 1 1 1 520 1 1 39 THR C C -11.305 -1.336 -4.052 1.00 . A A . 83 THR C 1 1 1 521 1 1 39 THR CA C -10.476 -2.005 -5.151 1.00 . A A . 83 THR CA 1 1 1 522 1 1 39 THR CB C -10.300 -3.496 -4.858 1.00 . A A . 83 THR CB 1 1 1 523 1 1 39 THR CG2 C -11.333 -4.297 -5.649 1.00 . A A . 83 THR CG2 1 1 1 524 1 1 39 THR H H -8.450 -1.714 -4.474 1.00 . A A . 83 THR H 1 1 1 525 1 1 39 THR HA H -10.945 -1.871 -6.112 1.00 . A A . 83 THR HA 1 1 1 526 1 1 39 THR HB H -10.440 -3.676 -3.804 1.00 . A A . 83 THR HB 1 1 1 527 1 1 39 THR HG1 H -8.790 -3.495 -6.085 1.00 . A A . 83 THR HG1 1 1 1 528 1 1 39 THR HG21 H -12.041 -3.620 -6.106 1.00 . A A . 83 THR HG21 1 1 1 529 1 1 39 THR HG22 H -10.835 -4.871 -6.416 1.00 . A A . 83 THR HG22 1 1 1 530 1 1 39 THR HG23 H -11.856 -4.968 -4.981 1.00 . A A . 83 THR HG23 1 1 1 531 1 1 39 THR N N -9.094 -1.446 -5.162 1.00 . A A . 83 THR N 1 1 1 532 1 1 39 THR O O -11.542 -1.906 -3.006 1.00 . A A . 83 THR O 1 1 1 533 1 1 39 THR OG1 O -8.991 -3.900 -5.238 1.00 . A A . 83 THR OG1 1 1 1 534 1 1 40 HIS C C -13.954 -0.052 -3.156 1.00 . A A . 84 HIS C 1 1 1 535 1 1 40 HIS CA C -12.562 0.575 -3.250 1.00 . A A . 84 HIS CA 1 1 1 536 1 1 40 HIS CB C -12.656 2.021 -3.740 1.00 . A A . 84 HIS CB 1 1 1 537 1 1 40 HIS CD2 C -14.189 2.483 -1.657 1.00 . A A . 84 HIS CD2 1 1 1 538 1 1 40 HIS CE1 C -14.901 4.449 -2.220 1.00 . A A . 84 HIS CE1 1 1 1 539 1 1 40 HIS CG C -13.609 2.785 -2.863 1.00 . A A . 84 HIS CG 1 1 1 540 1 1 40 HIS H H -11.545 0.311 -5.132 1.00 . A A . 84 HIS H 1 1 1 541 1 1 40 HIS HA H -12.067 0.542 -2.293 1.00 . A A . 84 HIS HA 1 1 1 542 1 1 40 HIS HB2 H -11.679 2.479 -3.697 1.00 . A A . 84 HIS HB2 1 1 1 543 1 1 40 HIS HB3 H -13.015 2.033 -4.758 1.00 . A A . 84 HIS HB3 1 1 1 544 1 1 40 HIS HD1 H -13.848 4.548 -4.012 1.00 . A A . 84 HIS HD1 1 1 1 545 1 1 40 HIS HD2 H -14.037 1.566 -1.105 1.00 . A A . 84 HIS HD2 1 1 1 546 1 1 40 HIS HE1 H -15.416 5.400 -2.214 1.00 . A A . 84 HIS HE1 1 1 1 547 1 1 40 HIS N N -11.748 -0.130 -4.282 1.00 . A A . 84 HIS N 1 1 1 548 1 1 40 HIS ND1 N -14.077 4.045 -3.203 1.00 . A A . 84 HIS ND1 1 1 1 549 1 1 40 HIS NE2 N -15.005 3.535 -1.252 1.00 . A A . 84 HIS NE2 1 1 1 550 1 1 40 HIS O O -14.720 -0.030 -4.099 1.00 . A A . 84 HIS O 1 1 1 551 1 1 41 LYS C C -16.731 -0.222 -2.209 1.00 . A A . 85 LYS C 1 1 1 552 1 1 41 LYS CA C -15.634 -1.235 -1.872 1.00 . A A . 85 LYS CA 1 1 1 553 1 1 41 LYS CB C -15.717 -1.647 -0.402 1.00 . A A . 85 LYS CB 1 1 1 554 1 1 41 LYS CD C -14.797 -3.226 1.301 1.00 . A A . 85 LYS CD 1 1 1 555 1 1 41 LYS CE C -13.653 -4.190 1.623 1.00 . A A . 85 LYS CE 1 1 1 556 1 1 41 LYS CG C -14.557 -2.585 -0.067 1.00 . A A . 85 LYS CG 1 1 1 557 1 1 41 LYS H H -13.657 -0.616 -1.275 1.00 . A A . 85 LYS H 1 1 1 558 1 1 41 LYS HA H -15.718 -2.106 -2.504 1.00 . A A . 85 LYS HA 1 1 1 559 1 1 41 LYS HB2 H -15.660 -0.765 0.222 1.00 . A A . 85 LYS HB2 1 1 1 560 1 1 41 LYS HB3 H -16.653 -2.157 -0.223 1.00 . A A . 85 LYS HB3 1 1 1 561 1 1 41 LYS HD2 H -14.843 -2.455 2.056 1.00 . A A . 85 LYS HD2 1 1 1 562 1 1 41 LYS HD3 H -15.730 -3.771 1.285 1.00 . A A . 85 LYS HD3 1 1 1 563 1 1 41 LYS HE2 H -13.167 -4.513 0.712 1.00 . A A . 85 LYS HE2 1 1 1 564 1 1 41 LYS HE3 H -12.941 -3.722 2.285 1.00 . A A . 85 LYS HE3 1 1 1 565 1 1 41 LYS HG2 H -14.490 -3.358 -0.820 1.00 . A A . 85 LYS HG2 1 1 1 566 1 1 41 LYS HG3 H -13.634 -2.024 -0.043 1.00 . A A . 85 LYS HG3 1 1 1 567 1 1 41 LYS HZ1 H -15.040 -5.740 1.690 1.00 . A A . 85 LYS HZ1 1 1 1 568 1 1 41 LYS HZ2 H -13.590 -6.075 2.504 1.00 . A A . 85 LYS HZ2 1 1 1 569 1 1 41 LYS HZ3 H -14.729 -5.022 3.199 1.00 . A A . 85 LYS HZ3 1 1 1 570 1 1 41 LYS N N -14.289 -0.609 -2.024 1.00 . A A . 85 LYS N 1 1 1 571 1 1 41 LYS NZ N -14.302 -5.344 2.305 1.00 . A A . 85 LYS NZ 1 1 1 572 1 1 41 LYS O O -16.683 0.873 -1.672 1.00 . A A . 85 LYS O 1 1 1 573 1 1 41 LYS OXT O -17.598 -0.557 -2.999 1.00 . A A . 85 LYS OXT 1 1 2 574 1 1 1 SER C C 16.235 5.876 -5.906 1.00 . A A . 45 SER C 1 1 2 575 1 1 1 SER CA C 16.702 4.783 -6.872 1.00 . A A . 45 SER CA 1 1 2 576 1 1 1 SER CB C 15.827 3.538 -6.734 1.00 . A A . 45 SER CB 1 1 2 577 1 1 1 SER H1 H 18.693 5.161 -6.388 1.00 . A A . 45 SER H1 1 1 2 578 1 1 1 SER H2 H 18.043 3.788 -5.625 1.00 . A A . 45 SER H2 1 1 2 579 1 1 1 SER H3 H 18.454 3.728 -7.269 1.00 . A A . 45 SER H3 1 1 2 580 1 1 1 SER HA H 16.677 5.141 -7.888 1.00 . A A . 45 SER HA 1 1 2 581 1 1 1 SER HB2 H 15.665 3.100 -7.705 1.00 . A A . 45 SER HB2 1 1 2 582 1 1 1 SER HB3 H 16.325 2.819 -6.096 1.00 . A A . 45 SER HB3 1 1 2 583 1 1 1 SER HG H 14.669 3.906 -5.215 1.00 . A A . 45 SER HG 1 1 2 584 1 1 1 SER N N 18.077 4.331 -6.511 1.00 . A A . 45 SER N 1 1 2 585 1 1 1 SER O O 16.978 6.327 -5.057 1.00 . A A . 45 SER O 1 1 2 586 1 1 1 SER OG O 14.574 3.904 -6.170 1.00 . A A . 45 SER OG 1 1 2 587 1 1 2 ASP C C 13.117 6.984 -4.580 1.00 . A A . 46 ASP C 1 1 2 588 1 1 2 ASP CA C 14.496 7.370 -5.120 1.00 . A A . 46 ASP CA 1 1 2 589 1 1 2 ASP CB C 14.400 8.624 -5.990 1.00 . A A . 46 ASP CB 1 1 2 590 1 1 2 ASP CG C 13.750 8.270 -7.329 1.00 . A A . 46 ASP CG 1 1 2 591 1 1 2 ASP H H 14.426 5.930 -6.722 1.00 . A A . 46 ASP H 1 1 2 592 1 1 2 ASP HA H 15.187 7.537 -4.309 1.00 . A A . 46 ASP HA 1 1 2 593 1 1 2 ASP HB2 H 13.801 9.368 -5.483 1.00 . A A . 46 ASP HB2 1 1 2 594 1 1 2 ASP HB3 H 15.390 9.018 -6.166 1.00 . A A . 46 ASP HB3 1 1 2 595 1 1 2 ASP N N 15.009 6.306 -6.031 1.00 . A A . 46 ASP N 1 1 2 596 1 1 2 ASP O O 12.103 7.238 -5.199 1.00 . A A . 46 ASP O 1 1 2 597 1 1 2 ASP OD1 O 12.983 7.323 -7.361 1.00 . A A . 46 ASP OD1 1 1 2 598 1 1 2 ASP OD2 O 14.031 8.953 -8.300 1.00 . A A . 46 ASP OD2 1 1 2 599 1 1 3 GLY C C 11.541 4.470 -3.069 1.00 . A A . 47 GLY C 1 1 2 600 1 1 3 GLY CA C 11.758 5.968 -2.850 1.00 . A A . 47 GLY CA 1 1 2 601 1 1 3 GLY H H 13.901 6.174 -2.945 1.00 . A A . 47 GLY H 1 1 2 602 1 1 3 GLY HA2 H 11.751 6.184 -1.791 1.00 . A A . 47 GLY HA2 1 1 2 603 1 1 3 GLY HA3 H 10.967 6.518 -3.336 1.00 . A A . 47 GLY HA3 1 1 2 604 1 1 3 GLY N N 13.071 6.370 -3.429 1.00 . A A . 47 GLY N 1 1 2 605 1 1 3 GLY O O 11.045 4.048 -4.095 1.00 . A A . 47 GLY O 1 1 2 606 1 1 4 ASP C C 10.237 1.860 -2.441 1.00 . A A . 48 ASP C 1 1 2 607 1 1 4 ASP CA C 11.722 2.191 -2.267 1.00 . A A . 48 ASP CA 1 1 2 608 1 1 4 ASP CB C 12.259 1.584 -0.970 1.00 . A A . 48 ASP CB 1 1 2 609 1 1 4 ASP CG C 13.665 1.030 -1.210 1.00 . A A . 48 ASP CG 1 1 2 610 1 1 4 ASP H H 12.306 4.021 -1.292 1.00 . A A . 48 ASP H 1 1 2 611 1 1 4 ASP HA H 12.290 1.825 -3.108 1.00 . A A . 48 ASP HA 1 1 2 612 1 1 4 ASP HB2 H 12.296 2.346 -0.205 1.00 . A A . 48 ASP HB2 1 1 2 613 1 1 4 ASP HB3 H 11.609 0.783 -0.651 1.00 . A A . 48 ASP HB3 1 1 2 614 1 1 4 ASP N N 11.908 3.661 -2.112 1.00 . A A . 48 ASP N 1 1 2 615 1 1 4 ASP O O 9.728 1.811 -3.543 1.00 . A A . 48 ASP O 1 1 2 616 1 1 4 ASP OD1 O 14.362 1.578 -2.049 1.00 . A A . 48 ASP OD1 1 1 2 617 1 1 4 ASP OD2 O 14.021 0.067 -0.549 1.00 . A A . 48 ASP OD2 1 1 2 618 1 1 5 GLN C C 7.272 2.199 -0.535 1.00 . A A . 49 GLN C 1 1 2 619 1 1 5 GLN CA C 8.089 1.302 -1.469 1.00 . A A . 49 GLN CA 1 1 2 620 1 1 5 GLN CB C 7.981 -0.156 -1.037 1.00 . A A . 49 GLN CB 1 1 2 621 1 1 5 GLN CD C 9.223 -2.324 -1.075 1.00 . A A . 49 GLN CD 1 1 2 622 1 1 5 GLN CG C 9.002 -0.998 -1.805 1.00 . A A . 49 GLN CG 1 1 2 623 1 1 5 GLN H H 9.969 1.673 -0.483 1.00 . A A . 49 GLN H 1 1 2 624 1 1 5 GLN HA H 7.752 1.406 -2.482 1.00 . A A . 49 GLN HA 1 1 2 625 1 1 5 GLN HB2 H 8.176 -0.227 0.019 1.00 . A A . 49 GLN HB2 1 1 2 626 1 1 5 GLN HB3 H 6.986 -0.520 -1.246 1.00 . A A . 49 GLN HB3 1 1 2 627 1 1 5 GLN HE21 H 10.119 -1.475 0.482 1.00 . A A . 49 GLN HE21 1 1 2 628 1 1 5 GLN HE22 H 9.964 -3.172 0.563 1.00 . A A . 49 GLN HE22 1 1 2 629 1 1 5 GLN HG2 H 8.634 -1.191 -2.802 1.00 . A A . 49 GLN HG2 1 1 2 630 1 1 5 GLN HG3 H 9.939 -0.464 -1.865 1.00 . A A . 49 GLN HG3 1 1 2 631 1 1 5 GLN N N 9.540 1.630 -1.362 1.00 . A A . 49 GLN N 1 1 2 632 1 1 5 GLN NE2 N 9.817 -2.324 0.086 1.00 . A A . 49 GLN NE2 1 1 2 633 1 1 5 GLN O O 6.394 2.921 -0.964 1.00 . A A . 49 GLN O 1 1 2 634 1 1 5 GLN OE1 O 8.849 -3.371 -1.567 1.00 . A A . 49 GLN OE1 1 1 2 635 1 1 6 CYS C C 7.323 4.441 1.670 1.00 . A A . 50 CYS C 1 1 2 636 1 1 6 CYS CA C 6.792 3.005 1.698 1.00 . A A . 50 CYS CA 1 1 2 637 1 1 6 CYS CB C 7.037 2.371 3.068 1.00 . A A . 50 CYS CB 1 1 2 638 1 1 6 CYS H H 8.264 1.565 1.062 1.00 . A A . 50 CYS H 1 1 2 639 1 1 6 CYS HA H 5.739 2.987 1.466 1.00 . A A . 50 CYS HA 1 1 2 640 1 1 6 CYS HB2 H 7.945 1.787 3.037 1.00 . A A . 50 CYS HB2 1 1 2 641 1 1 6 CYS HB3 H 7.135 3.149 3.812 1.00 . A A . 50 CYS HB3 1 1 2 642 1 1 6 CYS N N 7.553 2.156 0.738 1.00 . A A . 50 CYS N 1 1 2 643 1 1 6 CYS O O 6.910 5.282 2.444 1.00 . A A . 50 CYS O 1 1 2 644 1 1 6 CYS SG S 5.645 1.299 3.496 1.00 . A A . 50 CYS SG 1 1 2 645 1 1 7 ALA C C 7.975 6.952 -0.280 1.00 . A A . 51 ALA C 1 1 2 646 1 1 7 ALA CA C 8.791 6.110 0.705 1.00 . A A . 51 ALA CA 1 1 2 647 1 1 7 ALA CB C 10.224 5.933 0.201 1.00 . A A . 51 ALA CB 1 1 2 648 1 1 7 ALA H H 8.556 4.036 0.167 1.00 . A A . 51 ALA H 1 1 2 649 1 1 7 ALA HA H 8.798 6.570 1.681 1.00 . A A . 51 ALA HA 1 1 2 650 1 1 7 ALA HB1 H 10.250 5.147 -0.539 1.00 . A A . 51 ALA HB1 1 1 2 651 1 1 7 ALA HB2 H 10.566 6.857 -0.243 1.00 . A A . 51 ALA HB2 1 1 2 652 1 1 7 ALA HB3 H 10.867 5.671 1.027 1.00 . A A . 51 ALA HB3 1 1 2 653 1 1 7 ALA N N 8.236 4.729 0.783 1.00 . A A . 51 ALA N 1 1 2 654 1 1 7 ALA O O 8.135 8.153 -0.365 1.00 . A A . 51 ALA O 1 1 2 655 1 1 8 SER C C 4.788 6.936 -1.674 1.00 . A A . 52 SER C 1 1 2 656 1 1 8 SER CA C 6.275 7.094 -2.001 1.00 . A A . 52 SER CA 1 1 2 657 1 1 8 SER CB C 6.594 6.472 -3.360 1.00 . A A . 52 SER CB 1 1 2 658 1 1 8 SER H H 6.987 5.361 -0.938 1.00 . A A . 52 SER H 1 1 2 659 1 1 8 SER HA H 6.554 8.136 -1.998 1.00 . A A . 52 SER HA 1 1 2 660 1 1 8 SER HB2 H 7.637 6.615 -3.587 1.00 . A A . 52 SER HB2 1 1 2 661 1 1 8 SER HB3 H 6.376 5.413 -3.329 1.00 . A A . 52 SER HB3 1 1 2 662 1 1 8 SER HG H 5.618 7.998 -4.071 1.00 . A A . 52 SER HG 1 1 2 663 1 1 8 SER N N 7.101 6.330 -1.023 1.00 . A A . 52 SER N 1 1 2 664 1 1 8 SER O O 3.936 7.524 -2.311 1.00 . A A . 52 SER O 1 1 2 665 1 1 8 SER OG O 5.806 7.102 -4.361 1.00 . A A . 52 SER OG 1 1 2 666 1 1 9 SER C C 2.248 5.426 -1.521 1.00 . A A . 53 SER C 1 1 2 667 1 1 9 SER CA C 3.037 5.950 -0.318 1.00 . A A . 53 SER CA 1 1 2 668 1 1 9 SER CB C 2.539 7.336 0.086 1.00 . A A . 53 SER CB 1 1 2 669 1 1 9 SER H H 5.171 5.680 -0.184 1.00 . A A . 53 SER H 1 1 2 670 1 1 9 SER HA H 2.951 5.270 0.515 1.00 . A A . 53 SER HA 1 1 2 671 1 1 9 SER HB2 H 3.163 7.731 0.870 1.00 . A A . 53 SER HB2 1 1 2 672 1 1 9 SER HB3 H 2.581 7.997 -0.770 1.00 . A A . 53 SER HB3 1 1 2 673 1 1 9 SER HG H 0.620 7.581 -0.124 1.00 . A A . 53 SER HG 1 1 2 674 1 1 9 SER N N 4.470 6.145 -0.686 1.00 . A A . 53 SER N 1 1 2 675 1 1 9 SER O O 1.324 6.063 -1.984 1.00 . A A . 53 SER O 1 1 2 676 1 1 9 SER OG O 1.201 7.236 0.557 1.00 . A A . 53 SER OG 1 1 2 677 1 1 10 PRO C C 0.535 3.254 -2.783 1.00 . A A . 54 PRO C 1 1 2 678 1 1 10 PRO CA C 1.969 3.647 -3.150 1.00 . A A . 54 PRO CA 1 1 2 679 1 1 10 PRO CB C 2.811 2.407 -3.447 1.00 . A A . 54 PRO CB 1 1 2 680 1 1 10 PRO CD C 3.748 3.454 -1.478 1.00 . A A . 54 PRO CD 1 1 2 681 1 1 10 PRO CG C 3.589 2.141 -2.196 1.00 . A A . 54 PRO CG 1 1 2 682 1 1 10 PRO HA H 1.978 4.312 -3.999 1.00 . A A . 54 PRO HA 1 1 2 683 1 1 10 PRO HB2 H 2.169 1.567 -3.677 1.00 . A A . 54 PRO HB2 1 1 2 684 1 1 10 PRO HB3 H 3.487 2.600 -4.266 1.00 . A A . 54 PRO HB3 1 1 2 685 1 1 10 PRO HD2 H 3.659 3.312 -0.409 1.00 . A A . 54 PRO HD2 1 1 2 686 1 1 10 PRO HD3 H 4.694 3.909 -1.724 1.00 . A A . 54 PRO HD3 1 1 2 687 1 1 10 PRO HG2 H 3.051 1.440 -1.572 1.00 . A A . 54 PRO HG2 1 1 2 688 1 1 10 PRO HG3 H 4.561 1.743 -2.444 1.00 . A A . 54 PRO HG3 1 1 2 689 1 1 10 PRO N N 2.645 4.272 -1.986 1.00 . A A . 54 PRO N 1 1 2 690 1 1 10 PRO O O -0.269 2.932 -3.635 1.00 . A A . 54 PRO O 1 1 2 691 1 1 11 CYS C C -2.134 4.064 -1.390 1.00 . A A . 55 CYS C 1 1 2 692 1 1 11 CYS CA C -1.173 2.909 -1.097 1.00 . A A . 55 CYS CA 1 1 2 693 1 1 11 CYS CB C -1.083 2.656 0.412 1.00 . A A . 55 CYS CB 1 1 2 694 1 1 11 CYS H H 0.872 3.544 -0.848 1.00 . A A . 55 CYS H 1 1 2 695 1 1 11 CYS HA H -1.495 2.012 -1.603 1.00 . A A . 55 CYS HA 1 1 2 696 1 1 11 CYS HB2 H -1.039 3.602 0.932 1.00 . A A . 55 CYS HB2 1 1 2 697 1 1 11 CYS HB3 H -1.957 2.108 0.738 1.00 . A A . 55 CYS HB3 1 1 2 698 1 1 11 CYS N N 0.209 3.280 -1.519 1.00 . A A . 55 CYS N 1 1 2 699 1 1 11 CYS O O -1.723 5.138 -1.781 1.00 . A A . 55 CYS O 1 1 2 700 1 1 11 CYS SG S 0.407 1.695 0.789 1.00 . A A . 55 CYS SG 1 1 2 701 1 1 12 GLN C C -5.554 4.888 -0.504 1.00 . A A . 56 GLN C 1 1 2 702 1 1 12 GLN CA C -4.383 4.951 -1.481 1.00 . A A . 56 GLN CA 1 1 2 703 1 1 12 GLN CB C -4.879 4.706 -2.905 1.00 . A A . 56 GLN CB 1 1 2 704 1 1 12 GLN CD C -4.178 4.441 -5.288 1.00 . A A . 56 GLN CD 1 1 2 705 1 1 12 GLN CG C -3.696 4.749 -3.869 1.00 . A A . 56 GLN CG 1 1 2 706 1 1 12 GLN H H -3.726 2.985 -0.893 1.00 . A A . 56 GLN H 1 1 2 707 1 1 12 GLN HA H -3.895 5.908 -1.423 1.00 . A A . 56 GLN HA 1 1 2 708 1 1 12 GLN HB2 H -5.359 3.739 -2.961 1.00 . A A . 56 GLN HB2 1 1 2 709 1 1 12 GLN HB3 H -5.588 5.474 -3.176 1.00 . A A . 56 GLN HB3 1 1 2 710 1 1 12 GLN HE21 H -5.988 5.207 -4.988 1.00 . A A . 56 GLN HE21 1 1 2 711 1 1 12 GLN HE22 H -5.711 4.573 -6.547 1.00 . A A . 56 GLN HE22 1 1 2 712 1 1 12 GLN HG2 H -3.251 5.733 -3.843 1.00 . A A . 56 GLN HG2 1 1 2 713 1 1 12 GLN HG3 H -2.965 4.014 -3.571 1.00 . A A . 56 GLN HG3 1 1 2 714 1 1 12 GLN N N -3.410 3.856 -1.208 1.00 . A A . 56 GLN N 1 1 2 715 1 1 12 GLN NE2 N -5.393 4.768 -5.636 1.00 . A A . 56 GLN NE2 1 1 2 716 1 1 12 GLN O O -5.581 4.085 0.407 1.00 . A A . 56 GLN O 1 1 2 717 1 1 12 GLN OE1 O -3.441 3.899 -6.088 1.00 . A A . 56 GLN OE1 1 1 2 718 1 1 13 ASN C C -7.266 5.733 1.664 1.00 . A A . 57 ASN C 1 1 2 719 1 1 13 ASN CA C -7.716 5.727 0.201 1.00 . A A . 57 ASN CA 1 1 2 720 1 1 13 ASN CB C -8.469 4.432 -0.127 1.00 . A A . 57 ASN CB 1 1 2 721 1 1 13 ASN CG C -8.373 4.138 -1.628 1.00 . A A . 57 ASN CG 1 1 2 722 1 1 13 ASN H H -6.482 6.362 -1.450 1.00 . A A . 57 ASN H 1 1 2 723 1 1 13 ASN HA H -8.343 6.580 -0.002 1.00 . A A . 57 ASN HA 1 1 2 724 1 1 13 ASN HB2 H -8.034 3.614 0.429 1.00 . A A . 57 ASN HB2 1 1 2 725 1 1 13 ASN HB3 H -9.508 4.541 0.151 1.00 . A A . 57 ASN HB3 1 1 2 726 1 1 13 ASN HD21 H -9.974 5.221 -2.090 1.00 . A A . 57 ASN HD21 1 1 2 727 1 1 13 ASN HD22 H -9.191 4.469 -3.407 1.00 . A A . 57 ASN HD22 1 1 2 728 1 1 13 ASN N N -6.528 5.730 -0.701 1.00 . A A . 57 ASN N 1 1 2 729 1 1 13 ASN ND2 N -9.253 4.651 -2.441 1.00 . A A . 57 ASN ND2 1 1 2 730 1 1 13 ASN O O -7.829 5.056 2.501 1.00 . A A . 57 ASN O 1 1 2 731 1 1 13 ASN OD1 O -7.483 3.437 -2.065 1.00 . A A . 57 ASN OD1 1 1 2 732 1 1 14 GLY C C -5.410 5.141 3.861 1.00 . A A . 58 GLY C 1 1 2 733 1 1 14 GLY CA C -5.768 6.550 3.386 1.00 . A A . 58 GLY CA 1 1 2 734 1 1 14 GLY H H -5.816 7.035 1.287 1.00 . A A . 58 GLY H 1 1 2 735 1 1 14 GLY HA2 H -4.894 7.183 3.440 1.00 . A A . 58 GLY HA2 1 1 2 736 1 1 14 GLY HA3 H -6.545 6.951 4.019 1.00 . A A . 58 GLY HA3 1 1 2 737 1 1 14 GLY N N -6.254 6.495 1.978 1.00 . A A . 58 GLY N 1 1 2 738 1 1 14 GLY O O -5.908 4.674 4.866 1.00 . A A . 58 GLY O 1 1 2 739 1 1 15 GLY C C -2.720 3.049 4.027 1.00 . A A . 59 GLY C 1 1 2 740 1 1 15 GLY CA C -4.181 3.080 3.578 1.00 . A A . 59 GLY CA 1 1 2 741 1 1 15 GLY H H -4.162 4.845 2.339 1.00 . A A . 59 GLY H 1 1 2 742 1 1 15 GLY HA2 H -4.815 2.780 4.402 1.00 . A A . 59 GLY HA2 1 1 2 743 1 1 15 GLY HA3 H -4.314 2.397 2.749 1.00 . A A . 59 GLY HA3 1 1 2 744 1 1 15 GLY N N -4.554 4.457 3.152 1.00 . A A . 59 GLY N 1 1 2 745 1 1 15 GLY O O -1.914 3.862 3.621 1.00 . A A . 59 GLY O 1 1 2 746 1 1 16 SER C C -0.119 1.241 4.330 1.00 . A A . 60 SER C 1 1 2 747 1 1 16 SER CA C -0.966 2.013 5.344 1.00 . A A . 60 SER CA 1 1 2 748 1 1 16 SER CB C -1.049 1.245 6.662 1.00 . A A . 60 SER CB 1 1 2 749 1 1 16 SER H H -3.041 1.461 5.176 1.00 . A A . 60 SER H 1 1 2 750 1 1 16 SER HA H -0.555 2.996 5.512 1.00 . A A . 60 SER HA 1 1 2 751 1 1 16 SER HB2 H -2.011 1.412 7.119 1.00 . A A . 60 SER HB2 1 1 2 752 1 1 16 SER HB3 H -0.923 0.187 6.470 1.00 . A A . 60 SER HB3 1 1 2 753 1 1 16 SER HG H 0.667 1.044 7.557 1.00 . A A . 60 SER HG 1 1 2 754 1 1 16 SER N N -2.374 2.107 4.864 1.00 . A A . 60 SER N 1 1 2 755 1 1 16 SER O O -0.613 0.394 3.613 1.00 . A A . 60 SER O 1 1 2 756 1 1 16 SER OG O -0.028 1.706 7.538 1.00 . A A . 60 SER OG 1 1 2 757 1 1 17 CYS C C 2.954 -0.162 4.035 1.00 . A A . 61 CYS C 1 1 2 758 1 1 17 CYS CA C 2.023 0.803 3.296 1.00 . A A . 61 CYS CA 1 1 2 759 1 1 17 CYS CB C 2.824 1.899 2.584 1.00 . A A . 61 CYS CB 1 1 2 760 1 1 17 CYS H H 1.534 2.211 4.853 1.00 . A A . 61 CYS H 1 1 2 761 1 1 17 CYS HA H 1.421 0.267 2.581 1.00 . A A . 61 CYS HA 1 1 2 762 1 1 17 CYS HB2 H 3.304 1.483 1.710 1.00 . A A . 61 CYS HB2 1 1 2 763 1 1 17 CYS HB3 H 2.157 2.693 2.283 1.00 . A A . 61 CYS HB3 1 1 2 764 1 1 17 CYS N N 1.153 1.526 4.265 1.00 . A A . 61 CYS N 1 1 2 765 1 1 17 CYS O O 3.620 0.201 4.984 1.00 . A A . 61 CYS O 1 1 2 766 1 1 17 CYS SG S 4.085 2.567 3.701 1.00 . A A . 61 CYS SG 1 1 2 767 1 1 18 LYS C C 5.184 -2.558 3.480 1.00 . A A . 62 LYS C 1 1 2 768 1 1 18 LYS CA C 3.894 -2.379 4.284 1.00 . A A . 62 LYS CA 1 1 2 769 1 1 18 LYS CB C 3.097 -3.684 4.317 1.00 . A A . 62 LYS CB 1 1 2 770 1 1 18 LYS CD C 2.720 -5.115 6.330 1.00 . A A . 62 LYS CD 1 1 2 771 1 1 18 LYS CE C 3.363 -6.120 7.286 1.00 . A A . 62 LYS CE 1 1 2 772 1 1 18 LYS CG C 3.752 -4.659 5.296 1.00 . A A . 62 LYS CG 1 1 2 773 1 1 18 LYS H H 2.458 -1.667 2.839 1.00 . A A . 62 LYS H 1 1 2 774 1 1 18 LYS HA H 4.117 -2.058 5.289 1.00 . A A . 62 LYS HA 1 1 2 775 1 1 18 LYS HB2 H 2.085 -3.479 4.632 1.00 . A A . 62 LYS HB2 1 1 2 776 1 1 18 LYS HB3 H 3.086 -4.123 3.330 1.00 . A A . 62 LYS HB3 1 1 2 777 1 1 18 LYS HD2 H 2.369 -4.259 6.889 1.00 . A A . 62 LYS HD2 1 1 2 778 1 1 18 LYS HD3 H 1.888 -5.581 5.826 1.00 . A A . 62 LYS HD3 1 1 2 779 1 1 18 LYS HE2 H 3.828 -6.923 6.729 1.00 . A A . 62 LYS HE2 1 1 2 780 1 1 18 LYS HE3 H 4.089 -5.630 7.916 1.00 . A A . 62 LYS HE3 1 1 2 781 1 1 18 LYS HG2 H 4.123 -5.517 4.755 1.00 . A A . 62 LYS HG2 1 1 2 782 1 1 18 LYS HG3 H 4.570 -4.168 5.801 1.00 . A A . 62 LYS HG3 1 1 2 783 1 1 18 LYS HZ1 H 1.773 -5.849 8.601 1.00 . A A . 62 LYS HZ1 1 1 2 784 1 1 18 LYS HZ2 H 1.549 -7.119 7.498 1.00 . A A . 62 LYS HZ2 1 1 2 785 1 1 18 LYS HZ3 H 2.607 -7.314 8.814 1.00 . A A . 62 LYS HZ3 1 1 2 786 1 1 18 LYS N N 3.005 -1.393 3.607 1.00 . A A . 62 LYS N 1 1 2 787 1 1 18 LYS NZ N 2.239 -6.640 8.112 1.00 . A A . 62 LYS NZ 1 1 2 788 1 1 18 LYS O O 5.172 -2.571 2.266 1.00 . A A . 62 LYS O 1 1 2 789 1 1 19 ASP C C 8.075 -4.311 3.540 1.00 . A A . 63 ASP C 1 1 2 790 1 1 19 ASP CA C 7.584 -2.866 3.419 1.00 . A A . 63 ASP CA 1 1 2 791 1 1 19 ASP CB C 8.559 -1.910 4.107 1.00 . A A . 63 ASP CB 1 1 2 792 1 1 19 ASP CG C 8.814 -2.382 5.539 1.00 . A A . 63 ASP CG 1 1 2 793 1 1 19 ASP H H 6.284 -2.678 5.127 1.00 . A A . 63 ASP H 1 1 2 794 1 1 19 ASP HA H 7.471 -2.592 2.382 1.00 . A A . 63 ASP HA 1 1 2 795 1 1 19 ASP HB2 H 9.492 -1.893 3.561 1.00 . A A . 63 ASP HB2 1 1 2 796 1 1 19 ASP HB3 H 8.136 -0.917 4.128 1.00 . A A . 63 ASP HB3 1 1 2 797 1 1 19 ASP N N 6.296 -2.693 4.148 1.00 . A A . 63 ASP N 1 1 2 798 1 1 19 ASP O O 8.351 -4.795 4.620 1.00 . A A . 63 ASP O 1 1 2 799 1 1 19 ASP OD1 O 8.040 -2.020 6.409 1.00 . A A . 63 ASP OD1 1 1 2 800 1 1 19 ASP OD2 O 9.781 -3.100 5.742 1.00 . A A . 63 ASP OD2 1 1 2 801 1 1 20 GLN C C 9.683 -6.665 1.371 1.00 . A A . 64 GLN C 1 1 2 802 1 1 20 GLN CA C 8.668 -6.416 2.490 1.00 . A A . 64 GLN CA 1 1 2 803 1 1 20 GLN CB C 7.431 -7.323 2.313 1.00 . A A . 64 GLN CB 1 1 2 804 1 1 20 GLN CD C 4.932 -7.397 2.436 1.00 . A A . 64 GLN CD 1 1 2 805 1 1 20 GLN CG C 6.142 -6.498 2.172 1.00 . A A . 64 GLN CG 1 1 2 806 1 1 20 GLN H H 7.966 -4.591 1.577 1.00 . A A . 64 GLN H 1 1 2 807 1 1 20 GLN HA H 9.125 -6.612 3.449 1.00 . A A . 64 GLN HA 1 1 2 808 1 1 20 GLN HB2 H 7.561 -7.925 1.427 1.00 . A A . 64 GLN HB2 1 1 2 809 1 1 20 GLN HB3 H 7.344 -7.972 3.172 1.00 . A A . 64 GLN HB3 1 1 2 810 1 1 20 GLN HE21 H 4.997 -7.138 4.407 1.00 . A A . 64 GLN HE21 1 1 2 811 1 1 20 GLN HE22 H 3.747 -8.154 3.841 1.00 . A A . 64 GLN HE22 1 1 2 812 1 1 20 GLN HG2 H 6.153 -5.689 2.887 1.00 . A A . 64 GLN HG2 1 1 2 813 1 1 20 GLN HG3 H 6.077 -6.096 1.175 1.00 . A A . 64 GLN HG3 1 1 2 814 1 1 20 GLN N N 8.189 -5.001 2.439 1.00 . A A . 64 GLN N 1 1 2 815 1 1 20 GLN NE2 N 4.526 -7.579 3.663 1.00 . A A . 64 GLN NE2 1 1 2 816 1 1 20 GLN O O 9.743 -5.941 0.398 1.00 . A A . 64 GLN O 1 1 2 817 1 1 20 GLN OE1 O 4.351 -7.938 1.518 1.00 . A A . 64 GLN OE1 1 1 2 818 1 1 21 LEU C C 10.876 -8.037 -0.923 1.00 . A A . 65 LEU C 1 1 2 819 1 1 21 LEU CA C 11.511 -7.982 0.466 1.00 . A A . 65 LEU CA 1 1 2 820 1 1 21 LEU CB C 12.072 -9.351 0.849 1.00 . A A . 65 LEU CB 1 1 2 821 1 1 21 LEU CD1 C 14.340 -9.132 -0.176 1.00 . A A . 65 LEU CD1 1 1 2 822 1 1 21 LEU CD2 C 13.215 -11.360 -0.096 1.00 . A A . 65 LEU CD2 1 1 2 823 1 1 21 LEU CG C 12.995 -9.856 -0.262 1.00 . A A . 65 LEU CG 1 1 2 824 1 1 21 LEU H H 10.426 -8.247 2.308 1.00 . A A . 65 LEU H 1 1 2 825 1 1 21 LEU HA H 12.294 -7.253 0.486 1.00 . A A . 65 LEU HA 1 1 2 826 1 1 21 LEU HB2 H 12.631 -9.266 1.771 1.00 . A A . 65 LEU HB2 1 1 2 827 1 1 21 LEU HB3 H 11.259 -10.049 0.983 1.00 . A A . 65 LEU HB3 1 1 2 828 1 1 21 LEU HD11 H 14.705 -9.171 0.839 1.00 . A A . 65 LEU HD11 1 1 2 829 1 1 21 LEU HD12 H 15.049 -9.614 -0.833 1.00 . A A . 65 LEU HD12 1 1 2 830 1 1 21 LEU HD13 H 14.214 -8.102 -0.476 1.00 . A A . 65 LEU HD13 1 1 2 831 1 1 21 LEU HD21 H 12.750 -11.694 0.820 1.00 . A A . 65 LEU HD21 1 1 2 832 1 1 21 LEU HD22 H 12.776 -11.883 -0.933 1.00 . A A . 65 LEU HD22 1 1 2 833 1 1 21 LEU HD23 H 14.274 -11.567 -0.057 1.00 . A A . 65 LEU HD23 1 1 2 834 1 1 21 LEU HG H 12.541 -9.659 -1.223 1.00 . A A . 65 LEU HG 1 1 2 835 1 1 21 LEU N N 10.489 -7.682 1.510 1.00 . A A . 65 LEU N 1 1 2 836 1 1 21 LEU O O 10.928 -7.091 -1.682 1.00 . A A . 65 LEU O 1 1 2 837 1 1 22 GLN C C 8.997 -8.018 -3.055 1.00 . A A . 66 GLN C 1 1 2 838 1 1 22 GLN CA C 9.658 -9.319 -2.592 1.00 . A A . 66 GLN CA 1 1 2 839 1 1 22 GLN CB C 8.605 -10.410 -2.391 1.00 . A A . 66 GLN CB 1 1 2 840 1 1 22 GLN CD C 6.476 -10.999 -1.224 1.00 . A A . 66 GLN CD 1 1 2 841 1 1 22 GLN CG C 7.517 -9.900 -1.443 1.00 . A A . 66 GLN CG 1 1 2 842 1 1 22 GLN H H 10.292 -9.889 -0.613 1.00 . A A . 66 GLN H 1 1 2 843 1 1 22 GLN HA H 10.387 -9.646 -3.316 1.00 . A A . 66 GLN HA 1 1 2 844 1 1 22 GLN HB2 H 8.164 -10.664 -3.344 1.00 . A A . 66 GLN HB2 1 1 2 845 1 1 22 GLN HB3 H 9.070 -11.285 -1.963 1.00 . A A . 66 GLN HB3 1 1 2 846 1 1 22 GLN HE21 H 4.931 -9.759 -1.359 1.00 . A A . 66 GLN HE21 1 1 2 847 1 1 22 GLN HE22 H 4.533 -11.385 -1.082 1.00 . A A . 66 GLN HE22 1 1 2 848 1 1 22 GLN HG2 H 7.962 -9.629 -0.497 1.00 . A A . 66 GLN HG2 1 1 2 849 1 1 22 GLN HG3 H 7.039 -9.035 -1.877 1.00 . A A . 66 GLN HG3 1 1 2 850 1 1 22 GLN N N 10.297 -9.151 -1.252 1.00 . A A . 66 GLN N 1 1 2 851 1 1 22 GLN NE2 N 5.208 -10.689 -1.221 1.00 . A A . 66 GLN NE2 1 1 2 852 1 1 22 GLN O O 8.929 -7.733 -4.234 1.00 . A A . 66 GLN O 1 1 2 853 1 1 22 GLN OE1 O 6.819 -12.151 -1.053 1.00 . A A . 66 GLN OE1 1 1 2 854 1 1 23 SER C C 7.147 -5.325 -1.334 1.00 . A A . 67 SER C 1 1 2 855 1 1 23 SER CA C 7.850 -5.945 -2.540 1.00 . A A . 67 SER CA 1 1 2 856 1 1 23 SER CB C 6.831 -6.333 -3.612 1.00 . A A . 67 SER CB 1 1 2 857 1 1 23 SER H H 8.570 -7.470 -1.193 1.00 . A A . 67 SER H 1 1 2 858 1 1 23 SER HA H 8.575 -5.260 -2.948 1.00 . A A . 67 SER HA 1 1 2 859 1 1 23 SER HB2 H 6.870 -7.395 -3.785 1.00 . A A . 67 SER HB2 1 1 2 860 1 1 23 SER HB3 H 5.837 -6.063 -3.279 1.00 . A A . 67 SER HB3 1 1 2 861 1 1 23 SER HG H 6.690 -4.804 -4.807 1.00 . A A . 67 SER HG 1 1 2 862 1 1 23 SER N N 8.508 -7.225 -2.142 1.00 . A A . 67 SER N 1 1 2 863 1 1 23 SER O O 7.525 -5.552 -0.204 1.00 . A A . 67 SER O 1 1 2 864 1 1 23 SER OG O 7.140 -5.652 -4.821 1.00 . A A . 67 SER OG 1 1 2 865 1 1 24 TYR C C 3.892 -4.171 -0.559 1.00 . A A . 68 TYR C 1 1 2 866 1 1 24 TYR CA C 5.396 -3.917 -0.423 1.00 . A A . 68 TYR CA 1 1 2 867 1 1 24 TYR CB C 5.706 -2.425 -0.532 1.00 . A A . 68 TYR CB 1 1 2 868 1 1 24 TYR CD1 C 3.879 -1.453 -1.970 1.00 . A A . 68 TYR CD1 1 1 2 869 1 1 24 TYR CD2 C 6.051 -1.866 -2.965 1.00 . A A . 68 TYR CD2 1 1 2 870 1 1 24 TYR CE1 C 3.409 -0.967 -3.197 1.00 . A A . 68 TYR CE1 1 1 2 871 1 1 24 TYR CE2 C 5.583 -1.381 -4.191 1.00 . A A . 68 TYR CE2 1 1 2 872 1 1 24 TYR CG C 5.200 -1.901 -1.855 1.00 . A A . 68 TYR CG 1 1 2 873 1 1 24 TYR CZ C 4.262 -0.931 -4.307 1.00 . A A . 68 TYR CZ 1 1 2 874 1 1 24 TYR H H 5.832 -4.378 -2.482 1.00 . A A . 68 TYR H 1 1 2 875 1 1 24 TYR HA H 5.760 -4.303 0.516 1.00 . A A . 68 TYR HA 1 1 2 876 1 1 24 TYR HB2 H 5.221 -1.894 0.276 1.00 . A A . 68 TYR HB2 1 1 2 877 1 1 24 TYR HB3 H 6.776 -2.276 -0.471 1.00 . A A . 68 TYR HB3 1 1 2 878 1 1 24 TYR HD1 H 3.222 -1.480 -1.114 1.00 . A A . 68 TYR HD1 1 1 2 879 1 1 24 TYR HD2 H 7.070 -2.212 -2.875 1.00 . A A . 68 TYR HD2 1 1 2 880 1 1 24 TYR HE1 H 2.391 -0.621 -3.287 1.00 . A A . 68 TYR HE1 1 1 2 881 1 1 24 TYR HE2 H 6.240 -1.353 -5.047 1.00 . A A . 68 TYR HE2 1 1 2 882 1 1 24 TYR HH H 3.988 0.487 -5.556 1.00 . A A . 68 TYR HH 1 1 2 883 1 1 24 TYR N N 6.124 -4.547 -1.563 1.00 . A A . 68 TYR N 1 1 2 884 1 1 24 TYR O O 3.384 -4.366 -1.646 1.00 . A A . 68 TYR O 1 1 2 885 1 1 24 TYR OH O 3.800 -0.453 -5.517 1.00 . A A . 68 TYR OH 1 1 2 886 1 1 25 ILE C C 0.952 -3.477 1.392 1.00 . A A . 69 ILE C 1 1 2 887 1 1 25 ILE CA C 1.707 -4.425 0.456 1.00 . A A . 69 ILE CA 1 1 2 888 1 1 25 ILE CB C 1.534 -5.877 0.902 1.00 . A A . 69 ILE CB 1 1 2 889 1 1 25 ILE CD1 C 1.406 -8.221 0.067 1.00 . A A . 69 ILE CD1 1 1 2 890 1 1 25 ILE CG1 C 1.838 -6.797 -0.278 1.00 . A A . 69 ILE CG1 1 1 2 891 1 1 25 ILE CG2 C 0.094 -6.114 1.370 1.00 . A A . 69 ILE CG2 1 1 2 892 1 1 25 ILE H H 3.604 -4.021 1.400 1.00 . A A . 69 ILE H 1 1 2 893 1 1 25 ILE HA H 1.359 -4.312 -0.557 1.00 . A A . 69 ILE HA 1 1 2 894 1 1 25 ILE HB H 2.216 -6.089 1.711 1.00 . A A . 69 ILE HB 1 1 2 895 1 1 25 ILE HD11 H 1.326 -8.320 1.140 1.00 . A A . 69 ILE HD11 1 1 2 896 1 1 25 ILE HD12 H 0.449 -8.425 -0.387 1.00 . A A . 69 ILE HD12 1 1 2 897 1 1 25 ILE HD13 H 2.140 -8.919 -0.306 1.00 . A A . 69 ILE HD13 1 1 2 898 1 1 25 ILE HG12 H 1.295 -6.454 -1.148 1.00 . A A . 69 ILE HG12 1 1 2 899 1 1 25 ILE HG13 H 2.897 -6.782 -0.484 1.00 . A A . 69 ILE HG13 1 1 2 900 1 1 25 ILE HG21 H -0.156 -5.400 2.142 1.00 . A A . 69 ILE HG21 1 1 2 901 1 1 25 ILE HG22 H -0.581 -5.992 0.536 1.00 . A A . 69 ILE HG22 1 1 2 902 1 1 25 ILE HG23 H 0.003 -7.115 1.763 1.00 . A A . 69 ILE HG23 1 1 2 903 1 1 25 ILE N N 3.176 -4.176 0.533 1.00 . A A . 69 ILE N 1 1 2 904 1 1 25 ILE O O 1.259 -3.367 2.561 1.00 . A A . 69 ILE O 1 1 2 905 1 1 26 CYS C C -2.006 -2.621 2.375 1.00 . A A . 70 CYS C 1 1 2 906 1 1 26 CYS CA C -0.823 -1.878 1.750 1.00 . A A . 70 CYS CA 1 1 2 907 1 1 26 CYS CB C -1.313 -0.784 0.810 1.00 . A A . 70 CYS CB 1 1 2 908 1 1 26 CYS H H -0.283 -2.912 -0.055 1.00 . A A . 70 CYS H 1 1 2 909 1 1 26 CYS HA H -0.196 -1.453 2.514 1.00 . A A . 70 CYS HA 1 1 2 910 1 1 26 CYS HB2 H -2.023 -1.200 0.115 1.00 . A A . 70 CYS HB2 1 1 2 911 1 1 26 CYS HB3 H -1.784 -0.006 1.387 1.00 . A A . 70 CYS HB3 1 1 2 912 1 1 26 CYS N N -0.042 -2.804 0.888 1.00 . A A . 70 CYS N 1 1 2 913 1 1 26 CYS O O -2.386 -3.685 1.930 1.00 . A A . 70 CYS O 1 1 2 914 1 1 26 CYS SG S 0.089 -0.091 -0.099 1.00 . A A . 70 CYS SG 1 1 2 915 1 1 27 PHE C C -5.001 -1.880 3.957 1.00 . A A . 71 PHE C 1 1 2 916 1 1 27 PHE CA C -3.748 -2.754 4.051 1.00 . A A . 71 PHE CA 1 1 2 917 1 1 27 PHE CB C -3.326 -2.944 5.509 1.00 . A A . 71 PHE CB 1 1 2 918 1 1 27 PHE CD1 C -1.228 -4.212 4.920 1.00 . A A . 71 PHE CD1 1 1 2 919 1 1 27 PHE CD2 C -2.837 -5.247 6.409 1.00 . A A . 71 PHE CD2 1 1 2 920 1 1 27 PHE CE1 C -0.410 -5.345 5.015 1.00 . A A . 71 PHE CE1 1 1 2 921 1 1 27 PHE CE2 C -2.019 -6.380 6.505 1.00 . A A . 71 PHE CE2 1 1 2 922 1 1 27 PHE CG C -2.442 -4.163 5.616 1.00 . A A . 71 PHE CG 1 1 2 923 1 1 27 PHE CZ C -0.806 -6.428 5.808 1.00 . A A . 71 PHE CZ 1 1 2 924 1 1 27 PHE H H -2.270 -1.212 3.749 1.00 . A A . 71 PHE H 1 1 2 925 1 1 27 PHE HA H -3.923 -3.713 3.590 1.00 . A A . 71 PHE HA 1 1 2 926 1 1 27 PHE HB2 H -2.782 -2.071 5.843 1.00 . A A . 71 PHE HB2 1 1 2 927 1 1 27 PHE HB3 H -4.205 -3.081 6.122 1.00 . A A . 71 PHE HB3 1 1 2 928 1 1 27 PHE HD1 H -0.922 -3.374 4.309 1.00 . A A . 71 PHE HD1 1 1 2 929 1 1 27 PHE HD2 H -3.774 -5.210 6.947 1.00 . A A . 71 PHE HD2 1 1 2 930 1 1 27 PHE HE1 H 0.526 -5.383 4.477 1.00 . A A . 71 PHE HE1 1 1 2 931 1 1 27 PHE HE2 H -2.325 -7.215 7.117 1.00 . A A . 71 PHE HE2 1 1 2 932 1 1 27 PHE HZ H -0.175 -7.302 5.882 1.00 . A A . 71 PHE HZ 1 1 2 933 1 1 27 PHE N N -2.591 -2.071 3.402 1.00 . A A . 71 PHE N 1 1 2 934 1 1 27 PHE O O -6.112 -2.360 4.066 1.00 . A A . 71 PHE O 1 1 2 935 1 1 28 CYS C C -7.063 -0.065 4.692 1.00 . A A . 72 CYS C 1 1 2 936 1 1 28 CYS CA C -6.010 0.304 3.649 1.00 . A A . 72 CYS CA 1 1 2 937 1 1 28 CYS CB C -6.555 0.091 2.238 1.00 . A A . 72 CYS CB 1 1 2 938 1 1 28 CYS H H -3.925 -0.239 3.666 1.00 . A A . 72 CYS H 1 1 2 939 1 1 28 CYS HA H -5.708 1.328 3.770 1.00 . A A . 72 CYS HA 1 1 2 940 1 1 28 CYS HB2 H -5.869 -0.531 1.683 1.00 . A A . 72 CYS HB2 1 1 2 941 1 1 28 CYS HB3 H -7.522 -0.392 2.291 1.00 . A A . 72 CYS HB3 1 1 2 942 1 1 28 CYS N N -4.830 -0.603 3.753 1.00 . A A . 72 CYS N 1 1 2 943 1 1 28 CYS O O -6.775 -0.709 5.681 1.00 . A A . 72 CYS O 1 1 2 944 1 1 28 CYS SG S -6.724 1.693 1.412 1.00 . A A . 72 CYS SG 1 1 2 945 1 1 29 LEU C C -10.278 -1.049 4.849 1.00 . A A . 73 LEU C 1 1 2 946 1 1 29 LEU CA C -9.356 0.015 5.452 1.00 . A A . 73 LEU CA 1 1 2 947 1 1 29 LEU CB C -10.105 1.336 5.662 1.00 . A A . 73 LEU CB 1 1 2 948 1 1 29 LEU CD1 C -9.631 3.786 5.426 1.00 . A A . 73 LEU CD1 1 1 2 949 1 1 29 LEU CD2 C -8.923 2.571 7.491 1.00 . A A . 73 LEU CD2 1 1 2 950 1 1 29 LEU CG C -9.103 2.457 5.974 1.00 . A A . 73 LEU CG 1 1 2 951 1 1 29 LEU H H -8.494 0.858 3.671 1.00 . A A . 73 LEU H 1 1 2 952 1 1 29 LEU HA H -8.935 -0.329 6.383 1.00 . A A . 73 LEU HA 1 1 2 953 1 1 29 LEU HB2 H -10.654 1.582 4.765 1.00 . A A . 73 LEU HB2 1 1 2 954 1 1 29 LEU HB3 H -10.791 1.233 6.487 1.00 . A A . 73 LEU HB3 1 1 2 955 1 1 29 LEU HD11 H -9.856 3.680 4.375 1.00 . A A . 73 LEU HD11 1 1 2 956 1 1 29 LEU HD12 H -10.526 4.066 5.961 1.00 . A A . 73 LEU HD12 1 1 2 957 1 1 29 LEU HD13 H -8.880 4.553 5.555 1.00 . A A . 73 LEU HD13 1 1 2 958 1 1 29 LEU HD21 H -8.738 1.591 7.906 1.00 . A A . 73 LEU HD21 1 1 2 959 1 1 29 LEU HD22 H -8.086 3.217 7.707 1.00 . A A . 73 LEU HD22 1 1 2 960 1 1 29 LEU HD23 H -9.819 2.984 7.929 1.00 . A A . 73 LEU HD23 1 1 2 961 1 1 29 LEU HG H -8.150 2.234 5.513 1.00 . A A . 73 LEU HG 1 1 2 962 1 1 29 LEU N N -8.282 0.339 4.477 1.00 . A A . 73 LEU N 1 1 2 963 1 1 29 LEU O O -10.042 -1.517 3.754 1.00 . A A . 73 LEU O 1 1 2 964 1 1 30 PRO C C -13.000 -1.899 3.855 1.00 . A A . 74 PRO C 1 1 2 965 1 1 30 PRO CA C -12.261 -2.420 5.093 1.00 . A A . 74 PRO CA 1 1 2 966 1 1 30 PRO CB C -13.232 -2.611 6.262 1.00 . A A . 74 PRO CB 1 1 2 967 1 1 30 PRO CD C -11.658 -0.895 6.904 1.00 . A A . 74 PRO CD 1 1 2 968 1 1 30 PRO CG C -12.586 -1.949 7.440 1.00 . A A . 74 PRO CG 1 1 2 969 1 1 30 PRO HA H -11.756 -3.346 4.875 1.00 . A A . 74 PRO HA 1 1 2 970 1 1 30 PRO HB2 H -14.179 -2.138 6.038 1.00 . A A . 74 PRO HB2 1 1 2 971 1 1 30 PRO HB3 H -13.375 -3.663 6.463 1.00 . A A . 74 PRO HB3 1 1 2 972 1 1 30 PRO HD2 H -12.171 0.054 6.828 1.00 . A A . 74 PRO HD2 1 1 2 973 1 1 30 PRO HD3 H -10.779 -0.808 7.522 1.00 . A A . 74 PRO HD3 1 1 2 974 1 1 30 PRO HG2 H -13.342 -1.494 8.067 1.00 . A A . 74 PRO HG2 1 1 2 975 1 1 30 PRO HG3 H -12.023 -2.673 8.008 1.00 . A A . 74 PRO HG3 1 1 2 976 1 1 30 PRO N N -11.300 -1.400 5.579 1.00 . A A . 74 PRO N 1 1 2 977 1 1 30 PRO O O -13.739 -2.618 3.211 1.00 . A A . 74 PRO O 1 1 2 978 1 1 31 ALA C C -12.668 -0.260 1.069 1.00 . A A . 75 ALA C 1 1 2 979 1 1 31 ALA CA C -13.502 -0.069 2.342 1.00 . A A . 75 ALA CA 1 1 2 980 1 1 31 ALA CB C -13.633 1.417 2.668 1.00 . A A . 75 ALA CB 1 1 2 981 1 1 31 ALA H H -12.219 -0.090 4.067 1.00 . A A . 75 ALA H 1 1 2 982 1 1 31 ALA HA H -14.481 -0.506 2.221 1.00 . A A . 75 ALA HA 1 1 2 983 1 1 31 ALA HB1 H -12.786 1.728 3.264 1.00 . A A . 75 ALA HB1 1 1 2 984 1 1 31 ALA HB2 H -13.655 1.987 1.750 1.00 . A A . 75 ALA HB2 1 1 2 985 1 1 31 ALA HB3 H -14.544 1.587 3.220 1.00 . A A . 75 ALA HB3 1 1 2 986 1 1 31 ALA N N -12.810 -0.651 3.526 1.00 . A A . 75 ALA N 1 1 2 987 1 1 31 ALA O O -13.074 0.127 -0.008 1.00 . A A . 75 ALA O 1 1 2 988 1 1 32 PHE C C -9.858 -2.346 0.074 1.00 . A A . 76 PHE C 1 1 2 989 1 1 32 PHE CA C -10.664 -1.048 -0.037 1.00 . A A . 76 PHE CA 1 1 2 990 1 1 32 PHE CB C -9.724 0.157 -0.078 1.00 . A A . 76 PHE CB 1 1 2 991 1 1 32 PHE CD1 C -10.748 1.801 1.535 1.00 . A A . 76 PHE CD1 1 1 2 992 1 1 32 PHE CD2 C -10.956 2.222 -0.844 1.00 . A A . 76 PHE CD2 1 1 2 993 1 1 32 PHE CE1 C -11.461 2.977 1.804 1.00 . A A . 76 PHE CE1 1 1 2 994 1 1 32 PHE CE2 C -11.667 3.396 -0.575 1.00 . A A . 76 PHE CE2 1 1 2 995 1 1 32 PHE CG C -10.497 1.423 0.212 1.00 . A A . 76 PHE CG 1 1 2 996 1 1 32 PHE CZ C -11.920 3.774 0.749 1.00 . A A . 76 PHE CZ 1 1 2 997 1 1 32 PHE H H -11.190 -1.153 2.050 1.00 . A A . 76 PHE H 1 1 2 998 1 1 32 PHE HA H -11.281 -1.064 -0.918 1.00 . A A . 76 PHE HA 1 1 2 999 1 1 32 PHE HB2 H -8.948 0.031 0.664 1.00 . A A . 76 PHE HB2 1 1 2 1000 1 1 32 PHE HB3 H -9.276 0.228 -1.060 1.00 . A A . 76 PHE HB3 1 1 2 1001 1 1 32 PHE HD1 H -10.395 1.187 2.350 1.00 . A A . 76 PHE HD1 1 1 2 1002 1 1 32 PHE HD2 H -10.761 1.930 -1.865 1.00 . A A . 76 PHE HD2 1 1 2 1003 1 1 32 PHE HE1 H -11.656 3.268 2.826 1.00 . A A . 76 PHE HE1 1 1 2 1004 1 1 32 PHE HE2 H -12.021 4.012 -1.389 1.00 . A A . 76 PHE HE2 1 1 2 1005 1 1 32 PHE HZ H -12.469 4.681 0.956 1.00 . A A . 76 PHE HZ 1 1 2 1006 1 1 32 PHE N N -11.507 -0.847 1.178 1.00 . A A . 76 PHE N 1 1 2 1007 1 1 32 PHE O O -9.941 -3.059 1.054 1.00 . A A . 76 PHE O 1 1 2 1008 1 1 33 GLU C C -7.420 -4.037 -2.154 1.00 . A A . 77 GLU C 1 1 2 1009 1 1 33 GLU CA C -8.263 -3.907 -0.882 1.00 . A A . 77 GLU CA 1 1 2 1010 1 1 33 GLU CB C -9.284 -5.042 -0.798 1.00 . A A . 77 GLU CB 1 1 2 1011 1 1 33 GLU CD C -9.568 -5.807 -3.160 1.00 . A A . 77 GLU CD 1 1 2 1012 1 1 33 GLU CG C -10.199 -4.999 -2.023 1.00 . A A . 77 GLU CG 1 1 2 1013 1 1 33 GLU H H -9.023 -2.066 -1.711 1.00 . A A . 77 GLU H 1 1 2 1014 1 1 33 GLU HA H -7.632 -3.914 -0.008 1.00 . A A . 77 GLU HA 1 1 2 1015 1 1 33 GLU HB2 H -8.765 -5.990 -0.769 1.00 . A A . 77 GLU HB2 1 1 2 1016 1 1 33 GLU HB3 H -9.877 -4.929 0.096 1.00 . A A . 77 GLU HB3 1 1 2 1017 1 1 33 GLU HG2 H -11.160 -5.421 -1.770 1.00 . A A . 77 GLU HG2 1 1 2 1018 1 1 33 GLU HG3 H -10.327 -3.974 -2.341 1.00 . A A . 77 GLU HG3 1 1 2 1019 1 1 33 GLU N N -9.077 -2.657 -0.929 1.00 . A A . 77 GLU N 1 1 2 1020 1 1 33 GLU O O -7.773 -3.528 -3.200 1.00 . A A . 77 GLU O 1 1 2 1021 1 1 33 GLU OE1 O -9.346 -6.990 -2.966 1.00 . A A . 77 GLU OE1 1 1 2 1022 1 1 33 GLU OE2 O -9.320 -5.228 -4.205 1.00 . A A . 77 GLU OE2 1 1 2 1023 1 1 34 GLY C C -4.032 -4.380 -2.971 1.00 . A A . 78 GLY C 1 1 2 1024 1 1 34 GLY CA C -5.445 -4.880 -3.279 1.00 . A A . 78 GLY CA 1 1 2 1025 1 1 34 GLY H H -6.041 -5.121 -1.222 1.00 . A A . 78 GLY H 1 1 2 1026 1 1 34 GLY HA2 H -5.407 -5.924 -3.554 1.00 . A A . 78 GLY HA2 1 1 2 1027 1 1 34 GLY HA3 H -5.856 -4.307 -4.096 1.00 . A A . 78 GLY HA3 1 1 2 1028 1 1 34 GLY N N -6.308 -4.717 -2.074 1.00 . A A . 78 GLY N 1 1 2 1029 1 1 34 GLY O O -3.793 -3.754 -1.957 1.00 . A A . 78 GLY O 1 1 2 1030 1 1 35 ARG C C -1.702 -2.750 -3.069 1.00 . A A . 79 ARG C 1 1 2 1031 1 1 35 ARG CA C -1.697 -4.187 -3.595 1.00 . A A . 79 ARG CA 1 1 2 1032 1 1 35 ARG CB C -1.014 -4.256 -4.963 1.00 . A A . 79 ARG CB 1 1 2 1033 1 1 35 ARG CD C 1.183 -4.160 -6.150 1.00 . A A . 79 ARG CD 1 1 2 1034 1 1 35 ARG CG C 0.486 -4.006 -4.797 1.00 . A A . 79 ARG CG 1 1 2 1035 1 1 35 ARG CZ C 2.413 -5.991 -7.148 1.00 . A A . 79 ARG CZ 1 1 2 1036 1 1 35 ARG H H -3.310 -5.154 -4.651 1.00 . A A . 79 ARG H 1 1 2 1037 1 1 35 ARG HA H -1.199 -4.843 -2.901 1.00 . A A . 79 ARG HA 1 1 2 1038 1 1 35 ARG HB2 H -1.172 -5.233 -5.394 1.00 . A A . 79 ARG HB2 1 1 2 1039 1 1 35 ARG HB3 H -1.432 -3.502 -5.613 1.00 . A A . 79 ARG HB3 1 1 2 1040 1 1 35 ARG HD2 H 0.492 -3.940 -6.954 1.00 . A A . 79 ARG HD2 1 1 2 1041 1 1 35 ARG HD3 H 2.045 -3.514 -6.206 1.00 . A A . 79 ARG HD3 1 1 2 1042 1 1 35 ARG HE H 1.287 -6.219 -5.529 1.00 . A A . 79 ARG HE 1 1 2 1043 1 1 35 ARG HG2 H 0.645 -3.007 -4.420 1.00 . A A . 79 ARG HG2 1 1 2 1044 1 1 35 ARG HG3 H 0.896 -4.722 -4.100 1.00 . A A . 79 ARG HG3 1 1 2 1045 1 1 35 ARG HH11 H 3.995 -4.986 -6.445 1.00 . A A . 79 ARG HH11 1 1 2 1046 1 1 35 ARG HH12 H 4.273 -5.910 -7.884 1.00 . A A . 79 ARG HH12 1 1 2 1047 1 1 35 ARG HH21 H 1.018 -7.092 -8.071 1.00 . A A . 79 ARG HH21 1 1 2 1048 1 1 35 ARG HH22 H 2.587 -7.103 -8.805 1.00 . A A . 79 ARG HH22 1 1 2 1049 1 1 35 ARG N N -3.095 -4.649 -3.839 1.00 . A A . 79 ARG N 1 1 2 1050 1 1 35 ARG NE N 1.610 -5.586 -6.203 1.00 . A A . 79 ARG NE 1 1 2 1051 1 1 35 ARG NH1 N 3.657 -5.599 -7.161 1.00 . A A . 79 ARG NH1 1 1 2 1052 1 1 35 ARG NH2 N 1.972 -6.791 -8.080 1.00 . A A . 79 ARG NH2 1 1 2 1053 1 1 35 ARG O O -1.037 -2.430 -2.103 1.00 . A A . 79 ARG O 1 1 2 1054 1 1 36 ASN C C -3.907 -0.141 -2.715 1.00 . A A . 80 ASN C 1 1 2 1055 1 1 36 ASN CA C -2.503 -0.468 -3.225 1.00 . A A . 80 ASN CA 1 1 2 1056 1 1 36 ASN CB C -2.172 0.371 -4.460 1.00 . A A . 80 ASN CB 1 1 2 1057 1 1 36 ASN CG C -0.918 -0.188 -5.136 1.00 . A A . 80 ASN CG 1 1 2 1058 1 1 36 ASN H H -2.982 -2.162 -4.468 1.00 . A A . 80 ASN H 1 1 2 1059 1 1 36 ASN HA H -1.771 -0.296 -2.453 1.00 . A A . 80 ASN HA 1 1 2 1060 1 1 36 ASN HB2 H -3.001 0.336 -5.152 1.00 . A A . 80 ASN HB2 1 1 2 1061 1 1 36 ASN HB3 H -1.993 1.394 -4.163 1.00 . A A . 80 ASN HB3 1 1 2 1062 1 1 36 ASN HD21 H -0.019 -0.626 -3.418 1.00 . A A . 80 ASN HD21 1 1 2 1063 1 1 36 ASN HD22 H 0.867 -1.005 -4.826 1.00 . A A . 80 ASN HD22 1 1 2 1064 1 1 36 ASN N N -2.451 -1.882 -3.693 1.00 . A A . 80 ASN N 1 1 2 1065 1 1 36 ASN ND2 N 0.057 -0.644 -4.399 1.00 . A A . 80 ASN ND2 1 1 2 1066 1 1 36 ASN O O -4.205 0.982 -2.362 1.00 . A A . 80 ASN O 1 1 2 1067 1 1 36 ASN OD1 O -0.825 -0.208 -6.348 1.00 . A A . 80 ASN OD1 1 1 2 1068 1 1 37 CYS C C -6.898 0.055 -3.168 1.00 . A A . 81 CYS C 1 1 2 1069 1 1 37 CYS CA C -6.161 -0.871 -2.187 1.00 . A A . 81 CYS CA 1 1 2 1070 1 1 37 CYS CB C -5.970 -0.253 -0.781 1.00 . A A . 81 CYS CB 1 1 2 1071 1 1 37 CYS H H -4.512 -2.017 -2.964 1.00 . A A . 81 CYS H 1 1 2 1072 1 1 37 CYS HA H -6.690 -1.807 -2.102 1.00 . A A . 81 CYS HA 1 1 2 1073 1 1 37 CYS HB2 H -6.245 -0.988 -0.043 1.00 . A A . 81 CYS HB2 1 1 2 1074 1 1 37 CYS HB3 H -4.929 0.007 -0.647 1.00 . A A . 81 CYS HB3 1 1 2 1075 1 1 37 CYS N N -4.774 -1.119 -2.674 1.00 . A A . 81 CYS N 1 1 2 1076 1 1 37 CYS O O -8.013 0.475 -2.927 1.00 . A A . 81 CYS O 1 1 2 1077 1 1 37 CYS SG S -6.990 1.227 -0.535 1.00 . A A . 81 CYS SG 1 1 2 1078 1 1 38 GLU C C -8.316 0.643 -5.675 1.00 . A A . 82 GLU C 1 1 2 1079 1 1 38 GLU CA C -6.963 1.239 -5.280 1.00 . A A . 82 GLU CA 1 1 2 1080 1 1 38 GLU CB C -6.013 1.273 -6.480 1.00 . A A . 82 GLU CB 1 1 2 1081 1 1 38 GLU CD C -5.849 1.670 -8.943 1.00 . A A . 82 GLU CD 1 1 2 1082 1 1 38 GLU CG C -6.771 1.743 -7.724 1.00 . A A . 82 GLU CG 1 1 2 1083 1 1 38 GLU H H -5.401 -0.001 -4.472 1.00 . A A . 82 GLU H 1 1 2 1084 1 1 38 GLU HA H -7.089 2.234 -4.881 1.00 . A A . 82 GLU HA 1 1 2 1085 1 1 38 GLU HB2 H -5.199 1.954 -6.275 1.00 . A A . 82 GLU HB2 1 1 2 1086 1 1 38 GLU HB3 H -5.620 0.281 -6.654 1.00 . A A . 82 GLU HB3 1 1 2 1087 1 1 38 GLU HG2 H -7.630 1.107 -7.882 1.00 . A A . 82 GLU HG2 1 1 2 1088 1 1 38 GLU HG3 H -7.097 2.762 -7.582 1.00 . A A . 82 GLU HG3 1 1 2 1089 1 1 38 GLU N N -6.291 0.360 -4.284 1.00 . A A . 82 GLU N 1 1 2 1090 1 1 38 GLU O O -9.166 1.314 -6.226 1.00 . A A . 82 GLU O 1 1 2 1091 1 1 38 GLU OE1 O -4.695 1.314 -8.767 1.00 . A A . 82 GLU OE1 1 1 2 1092 1 1 38 GLU OE2 O -6.313 1.969 -10.029 1.00 . A A . 82 GLU OE2 1 1 2 1093 1 1 39 THR C C -10.837 -1.031 -4.627 1.00 . A A . 83 THR C 1 1 2 1094 1 1 39 THR CA C -9.823 -1.253 -5.752 1.00 . A A . 83 THR CA 1 1 2 1095 1 1 39 THR CB C -9.509 -2.741 -5.905 1.00 . A A . 83 THR CB 1 1 2 1096 1 1 39 THR CG2 C -10.813 -3.533 -6.009 1.00 . A A . 83 THR CG2 1 1 2 1097 1 1 39 THR H H -7.827 -1.141 -4.947 1.00 . A A . 83 THR H 1 1 2 1098 1 1 39 THR HA H -10.196 -0.854 -6.682 1.00 . A A . 83 THR HA 1 1 2 1099 1 1 39 THR HB H -8.952 -3.083 -5.047 1.00 . A A . 83 THR HB 1 1 2 1100 1 1 39 THR HG1 H -8.302 -3.794 -7.010 1.00 . A A . 83 THR HG1 1 1 2 1101 1 1 39 THR HG21 H -11.649 -2.849 -6.026 1.00 . A A . 83 THR HG21 1 1 2 1102 1 1 39 THR HG22 H -10.808 -4.118 -6.916 1.00 . A A . 83 THR HG22 1 1 2 1103 1 1 39 THR HG23 H -10.903 -4.190 -5.157 1.00 . A A . 83 THR HG23 1 1 2 1104 1 1 39 THR N N -8.524 -0.616 -5.394 1.00 . A A . 83 THR N 1 1 2 1105 1 1 39 THR O O -11.335 -1.966 -4.033 1.00 . A A . 83 THR O 1 1 2 1106 1 1 39 THR OG1 O -8.735 -2.940 -7.082 1.00 . A A . 83 THR OG1 1 1 2 1107 1 1 40 HIS C C -13.336 -0.434 -3.364 1.00 . A A . 84 HIS C 1 1 2 1108 1 1 40 HIS CA C -12.114 0.484 -3.238 1.00 . A A . 84 HIS CA 1 1 2 1109 1 1 40 HIS CB C -12.502 1.956 -3.419 1.00 . A A . 84 HIS CB 1 1 2 1110 1 1 40 HIS CD2 C -14.885 2.300 -4.465 1.00 . A A . 84 HIS CD2 1 1 2 1111 1 1 40 HIS CE1 C -14.336 2.177 -6.557 1.00 . A A . 84 HIS CE1 1 1 2 1112 1 1 40 HIS CG C -13.530 2.092 -4.508 1.00 . A A . 84 HIS CG 1 1 2 1113 1 1 40 HIS H H -10.723 0.942 -4.818 1.00 . A A . 84 HIS H 1 1 2 1114 1 1 40 HIS HA H -11.646 0.346 -2.276 1.00 . A A . 84 HIS HA 1 1 2 1115 1 1 40 HIS HB2 H -12.910 2.335 -2.494 1.00 . A A . 84 HIS HB2 1 1 2 1116 1 1 40 HIS HB3 H -11.624 2.528 -3.682 1.00 . A A . 84 HIS HB3 1 1 2 1117 1 1 40 HIS HD1 H -12.304 1.873 -6.223 1.00 . A A . 84 HIS HD1 1 1 2 1118 1 1 40 HIS HD2 H -15.467 2.406 -3.561 1.00 . A A . 84 HIS HD2 1 1 2 1119 1 1 40 HIS HE1 H -14.387 2.164 -7.636 1.00 . A A . 84 HIS HE1 1 1 2 1120 1 1 40 HIS N N -11.140 0.202 -4.328 1.00 . A A . 84 HIS N 1 1 2 1121 1 1 40 HIS ND1 N -13.201 2.017 -5.852 1.00 . A A . 84 HIS ND1 1 1 2 1122 1 1 40 HIS NE2 N -15.394 2.353 -5.759 1.00 . A A . 84 HIS NE2 1 1 2 1123 1 1 40 HIS O O -14.047 -0.412 -4.349 1.00 . A A . 84 HIS O 1 1 2 1124 1 1 41 LYS C C -16.000 -1.409 -2.865 1.00 . A A . 85 LYS C 1 1 2 1125 1 1 41 LYS CA C -14.745 -2.165 -2.422 1.00 . A A . 85 LYS CA 1 1 2 1126 1 1 41 LYS CB C -14.898 -2.672 -0.988 1.00 . A A . 85 LYS CB 1 1 2 1127 1 1 41 LYS CD C -13.626 -4.026 0.679 1.00 . A A . 85 LYS CD 1 1 2 1128 1 1 41 LYS CE C -12.153 -4.431 0.772 1.00 . A A . 85 LYS CE 1 1 2 1129 1 1 41 LYS CG C -14.035 -3.919 -0.791 1.00 . A A . 85 LYS CG 1 1 2 1130 1 1 41 LYS H H -12.990 -1.245 -1.590 1.00 . A A . 85 LYS H 1 1 2 1131 1 1 41 LYS HA H -14.546 -2.991 -3.085 1.00 . A A . 85 LYS HA 1 1 2 1132 1 1 41 LYS HB2 H -14.580 -1.900 -0.299 1.00 . A A . 85 LYS HB2 1 1 2 1133 1 1 41 LYS HB3 H -15.930 -2.917 -0.802 1.00 . A A . 85 LYS HB3 1 1 2 1134 1 1 41 LYS HD2 H -13.769 -3.071 1.163 1.00 . A A . 85 LYS HD2 1 1 2 1135 1 1 41 LYS HD3 H -14.233 -4.773 1.168 1.00 . A A . 85 LYS HD3 1 1 2 1136 1 1 41 LYS HE2 H -11.580 -3.934 0.002 1.00 . A A . 85 LYS HE2 1 1 2 1137 1 1 41 LYS HE3 H -11.759 -4.196 1.749 1.00 . A A . 85 LYS HE3 1 1 2 1138 1 1 41 LYS HG2 H -14.599 -4.795 -1.075 1.00 . A A . 85 LYS HG2 1 1 2 1139 1 1 41 LYS HG3 H -13.149 -3.845 -1.404 1.00 . A A . 85 LYS HG3 1 1 2 1140 1 1 41 LYS HZ1 H -12.647 -6.131 -0.324 1.00 . A A . 85 LYS HZ1 1 1 2 1141 1 1 41 LYS HZ2 H -11.162 -6.241 0.497 1.00 . A A . 85 LYS HZ2 1 1 2 1142 1 1 41 LYS HZ3 H -12.623 -6.373 1.354 1.00 . A A . 85 LYS HZ3 1 1 2 1143 1 1 41 LYS N N -13.577 -1.243 -2.372 1.00 . A A . 85 LYS N 1 1 2 1144 1 1 41 LYS NZ N -12.145 -5.905 0.559 1.00 . A A . 85 LYS NZ 1 1 2 1145 1 1 41 LYS O O -16.453 -0.561 -2.112 1.00 . A A . 85 LYS O 1 1 2 1146 1 1 41 LYS OXT O -16.487 -1.690 -3.947 1.00 . A A . 85 LYS OXT 1 1 3 1147 1 1 1 SER C C 18.411 3.021 -3.130 1.00 . A A . 45 SER C 1 1 3 1148 1 1 1 SER CA C 18.107 3.574 -4.525 1.00 . A A . 45 SER CA 1 1 3 1149 1 1 1 SER CB C 18.980 4.793 -4.821 1.00 . A A . 45 SER CB 1 1 3 1150 1 1 1 SER H1 H 16.575 4.826 -3.872 1.00 . A A . 45 SER H1 1 1 3 1151 1 1 1 SER H2 H 16.516 4.465 -5.531 1.00 . A A . 45 SER H2 1 1 3 1152 1 1 1 SER H3 H 16.047 3.298 -4.394 1.00 . A A . 45 SER H3 1 1 3 1153 1 1 1 SER HA H 18.267 2.815 -5.275 1.00 . A A . 45 SER HA 1 1 3 1154 1 1 1 SER HB2 H 19.896 4.727 -4.258 1.00 . A A . 45 SER HB2 1 1 3 1155 1 1 1 SER HB3 H 19.210 4.821 -5.878 1.00 . A A . 45 SER HB3 1 1 3 1156 1 1 1 SER HG H 18.886 6.529 -3.949 1.00 . A A . 45 SER HG 1 1 3 1157 1 1 1 SER N N 16.705 4.079 -4.586 1.00 . A A . 45 SER N 1 1 3 1158 1 1 1 SER O O 19.478 2.497 -2.878 1.00 . A A . 45 SER O 1 1 3 1159 1 1 1 SER OG O 18.281 5.972 -4.445 1.00 . A A . 45 SER OG 1 1 3 1160 1 1 2 ASP C C 16.560 1.714 -0.411 1.00 . A A . 46 ASP C 1 1 3 1161 1 1 2 ASP CA C 17.719 2.616 -0.843 1.00 . A A . 46 ASP CA 1 1 3 1162 1 1 2 ASP CB C 17.790 3.861 0.043 1.00 . A A . 46 ASP CB 1 1 3 1163 1 1 2 ASP CG C 18.671 4.916 -0.626 1.00 . A A . 46 ASP CG 1 1 3 1164 1 1 2 ASP H H 16.628 3.561 -2.444 1.00 . A A . 46 ASP H 1 1 3 1165 1 1 2 ASP HA H 18.653 2.079 -0.799 1.00 . A A . 46 ASP HA 1 1 3 1166 1 1 2 ASP HB2 H 16.795 4.258 0.185 1.00 . A A . 46 ASP HB2 1 1 3 1167 1 1 2 ASP HB3 H 18.212 3.597 1.002 1.00 . A A . 46 ASP HB3 1 1 3 1168 1 1 2 ASP N N 17.482 3.135 -2.221 1.00 . A A . 46 ASP N 1 1 3 1169 1 1 2 ASP O O 16.161 1.706 0.736 1.00 . A A . 46 ASP O 1 1 3 1170 1 1 2 ASP OD1 O 18.162 5.641 -1.465 1.00 . A A . 46 ASP OD1 1 1 3 1171 1 1 2 ASP OD2 O 19.843 4.982 -0.288 1.00 . A A . 46 ASP OD2 1 1 3 1172 1 1 3 GLY C C 13.875 0.824 -0.108 1.00 . A A . 47 GLY C 1 1 3 1173 1 1 3 GLY CA C 14.882 0.056 -0.964 1.00 . A A . 47 GLY CA 1 1 3 1174 1 1 3 GLY H H 16.351 0.977 -2.243 1.00 . A A . 47 GLY H 1 1 3 1175 1 1 3 GLY HA2 H 14.400 -0.292 -1.866 1.00 . A A . 47 GLY HA2 1 1 3 1176 1 1 3 GLY HA3 H 15.255 -0.788 -0.404 1.00 . A A . 47 GLY HA3 1 1 3 1177 1 1 3 GLY N N 16.016 0.955 -1.322 1.00 . A A . 47 GLY N 1 1 3 1178 1 1 3 GLY O O 13.727 0.572 1.072 1.00 . A A . 47 GLY O 1 1 3 1179 1 1 4 ASP C C 10.759 2.119 -0.278 1.00 . A A . 48 ASP C 1 1 3 1180 1 1 4 ASP CA C 12.182 2.547 0.092 1.00 . A A . 48 ASP CA 1 1 3 1181 1 1 4 ASP CB C 12.424 4.003 -0.306 1.00 . A A . 48 ASP CB 1 1 3 1182 1 1 4 ASP CG C 13.468 4.621 0.625 1.00 . A A . 48 ASP CG 1 1 3 1183 1 1 4 ASP H H 13.313 1.951 -1.643 1.00 . A A . 48 ASP H 1 1 3 1184 1 1 4 ASP HA H 12.350 2.422 1.150 1.00 . A A . 48 ASP HA 1 1 3 1185 1 1 4 ASP HB2 H 12.780 4.042 -1.326 1.00 . A A . 48 ASP HB2 1 1 3 1186 1 1 4 ASP HB3 H 11.500 4.557 -0.225 1.00 . A A . 48 ASP HB3 1 1 3 1187 1 1 4 ASP N N 13.178 1.762 -0.691 1.00 . A A . 48 ASP N 1 1 3 1188 1 1 4 ASP O O 9.812 2.470 0.390 1.00 . A A . 48 ASP O 1 1 3 1189 1 1 4 ASP OD1 O 13.187 4.731 1.807 1.00 . A A . 48 ASP OD1 1 1 3 1190 1 1 4 ASP OD2 O 14.531 4.973 0.140 1.00 . A A . 48 ASP OD2 1 1 3 1191 1 1 5 GLN C C 8.206 1.980 -1.644 1.00 . A A . 49 GLN C 1 1 3 1192 1 1 5 GLN CA C 9.268 0.881 -1.774 1.00 . A A . 49 GLN CA 1 1 3 1193 1 1 5 GLN CB C 8.951 -0.292 -0.857 1.00 . A A . 49 GLN CB 1 1 3 1194 1 1 5 GLN CD C 10.850 -1.646 0.040 1.00 . A A . 49 GLN CD 1 1 3 1195 1 1 5 GLN CG C 9.916 -1.443 -1.154 1.00 . A A . 49 GLN CG 1 1 3 1196 1 1 5 GLN H H 11.405 1.087 -1.838 1.00 . A A . 49 GLN H 1 1 3 1197 1 1 5 GLN HA H 9.316 0.533 -2.789 1.00 . A A . 49 GLN HA 1 1 3 1198 1 1 5 GLN HB2 H 9.068 0.021 0.163 1.00 . A A . 49 GLN HB2 1 1 3 1199 1 1 5 GLN HB3 H 7.937 -0.620 -1.028 1.00 . A A . 49 GLN HB3 1 1 3 1200 1 1 5 GLN HE21 H 9.366 -1.949 1.327 1.00 . A A . 49 GLN HE21 1 1 3 1201 1 1 5 GLN HE22 H 10.936 -2.024 1.989 1.00 . A A . 49 GLN HE22 1 1 3 1202 1 1 5 GLN HG2 H 9.355 -2.349 -1.332 1.00 . A A . 49 GLN HG2 1 1 3 1203 1 1 5 GLN HG3 H 10.501 -1.206 -2.029 1.00 . A A . 49 GLN HG3 1 1 3 1204 1 1 5 GLN N N 10.616 1.358 -1.333 1.00 . A A . 49 GLN N 1 1 3 1205 1 1 5 GLN NE2 N 10.342 -1.894 1.216 1.00 . A A . 49 GLN NE2 1 1 3 1206 1 1 5 GLN O O 7.881 2.652 -2.603 1.00 . A A . 49 GLN O 1 1 3 1207 1 1 5 GLN OE1 O 12.055 -1.577 -0.098 1.00 . A A . 49 GLN OE1 1 1 3 1208 1 1 6 CYS C C 7.238 4.593 -0.111 1.00 . A A . 50 CYS C 1 1 3 1209 1 1 6 CYS CA C 6.604 3.207 -0.289 1.00 . A A . 50 CYS CA 1 1 3 1210 1 1 6 CYS CB C 5.861 2.804 0.985 1.00 . A A . 50 CYS CB 1 1 3 1211 1 1 6 CYS H H 7.917 1.597 0.285 1.00 . A A . 50 CYS H 1 1 3 1212 1 1 6 CYS HA H 5.924 3.209 -1.125 1.00 . A A . 50 CYS HA 1 1 3 1213 1 1 6 CYS HB2 H 6.492 2.990 1.841 1.00 . A A . 50 CYS HB2 1 1 3 1214 1 1 6 CYS HB3 H 4.956 3.386 1.072 1.00 . A A . 50 CYS HB3 1 1 3 1215 1 1 6 CYS N N 7.651 2.159 -0.474 1.00 . A A . 50 CYS N 1 1 3 1216 1 1 6 CYS O O 6.825 5.364 0.732 1.00 . A A . 50 CYS O 1 1 3 1217 1 1 6 CYS SG S 5.442 1.046 0.915 1.00 . A A . 50 CYS SG 1 1 3 1218 1 1 7 ALA C C 7.862 7.362 -1.107 1.00 . A A . 51 ALA C 1 1 3 1219 1 1 7 ALA CA C 8.869 6.261 -0.757 1.00 . A A . 51 ALA CA 1 1 3 1220 1 1 7 ALA CB C 10.024 6.253 -1.758 1.00 . A A . 51 ALA CB 1 1 3 1221 1 1 7 ALA H H 8.550 4.294 -1.570 1.00 . A A . 51 ALA H 1 1 3 1222 1 1 7 ALA HA H 9.247 6.398 0.244 1.00 . A A . 51 ALA HA 1 1 3 1223 1 1 7 ALA HB1 H 9.870 5.465 -2.479 1.00 . A A . 51 ALA HB1 1 1 3 1224 1 1 7 ALA HB2 H 10.066 7.205 -2.267 1.00 . A A . 51 ALA HB2 1 1 3 1225 1 1 7 ALA HB3 H 10.954 6.085 -1.234 1.00 . A A . 51 ALA HB3 1 1 3 1226 1 1 7 ALA N N 8.229 4.921 -0.893 1.00 . A A . 51 ALA N 1 1 3 1227 1 1 7 ALA O O 8.110 8.532 -0.892 1.00 . A A . 51 ALA O 1 1 3 1228 1 1 8 SER C C 4.327 7.606 -1.495 1.00 . A A . 52 SER C 1 1 3 1229 1 1 8 SER CA C 5.710 8.023 -2.006 1.00 . A A . 52 SER CA 1 1 3 1230 1 1 8 SER CB C 5.723 8.072 -3.534 1.00 . A A . 52 SER CB 1 1 3 1231 1 1 8 SER H H 6.548 6.047 -1.809 1.00 . A A . 52 SER H 1 1 3 1232 1 1 8 SER HA H 5.985 8.986 -1.605 1.00 . A A . 52 SER HA 1 1 3 1233 1 1 8 SER HB2 H 4.989 7.387 -3.924 1.00 . A A . 52 SER HB2 1 1 3 1234 1 1 8 SER HB3 H 5.486 9.076 -3.863 1.00 . A A . 52 SER HB3 1 1 3 1235 1 1 8 SER HG H 7.299 8.357 -4.638 1.00 . A A . 52 SER HG 1 1 3 1236 1 1 8 SER N N 6.729 6.996 -1.643 1.00 . A A . 52 SER N 1 1 3 1237 1 1 8 SER O O 3.335 8.255 -1.758 1.00 . A A . 52 SER O 1 1 3 1238 1 1 8 SER OG O 7.011 7.696 -4.004 1.00 . A A . 52 SER OG 1 1 3 1239 1 1 9 SER C C 2.035 5.595 -1.376 1.00 . A A . 53 SER C 1 1 3 1240 1 1 9 SER CA C 2.937 6.068 -0.232 1.00 . A A . 53 SER CA 1 1 3 1241 1 1 9 SER CB C 2.334 7.295 0.452 1.00 . A A . 53 SER CB 1 1 3 1242 1 1 9 SER H H 5.068 6.019 -0.560 1.00 . A A . 53 SER H 1 1 3 1243 1 1 9 SER HA H 3.077 5.278 0.489 1.00 . A A . 53 SER HA 1 1 3 1244 1 1 9 SER HB2 H 3.122 7.910 0.852 1.00 . A A . 53 SER HB2 1 1 3 1245 1 1 9 SER HB3 H 1.766 7.866 -0.270 1.00 . A A . 53 SER HB3 1 1 3 1246 1 1 9 SER HG H 0.630 7.284 1.390 1.00 . A A . 53 SER HG 1 1 3 1247 1 1 9 SER N N 4.255 6.527 -0.762 1.00 . A A . 53 SER N 1 1 3 1248 1 1 9 SER O O 1.242 6.352 -1.897 1.00 . A A . 53 SER O 1 1 3 1249 1 1 9 SER OG O 1.487 6.872 1.514 1.00 . A A . 53 SER OG 1 1 3 1250 1 1 10 PRO C C -0.056 3.521 -2.348 1.00 . A A . 54 PRO C 1 1 3 1251 1 1 10 PRO CA C 1.383 3.751 -2.817 1.00 . A A . 54 PRO CA 1 1 3 1252 1 1 10 PRO CB C 2.081 2.424 -3.099 1.00 . A A . 54 PRO CB 1 1 3 1253 1 1 10 PRO CD C 3.126 3.383 -1.139 1.00 . A A . 54 PRO CD 1 1 3 1254 1 1 10 PRO CG C 2.804 2.085 -1.835 1.00 . A A . 54 PRO CG 1 1 3 1255 1 1 10 PRO HA H 1.407 4.376 -3.695 1.00 . A A . 54 PRO HA 1 1 3 1256 1 1 10 PRO HB2 H 1.351 1.660 -3.332 1.00 . A A . 54 PRO HB2 1 1 3 1257 1 1 10 PRO HB3 H 2.787 2.533 -3.908 1.00 . A A . 54 PRO HB3 1 1 3 1258 1 1 10 PRO HD2 H 2.963 3.292 -0.074 1.00 . A A . 54 PRO HD2 1 1 3 1259 1 1 10 PRO HD3 H 4.142 3.681 -1.344 1.00 . A A . 54 PRO HD3 1 1 3 1260 1 1 10 PRO HG2 H 2.170 1.475 -1.207 1.00 . A A . 54 PRO HG2 1 1 3 1261 1 1 10 PRO HG3 H 3.717 1.558 -2.061 1.00 . A A . 54 PRO HG3 1 1 3 1262 1 1 10 PRO N N 2.191 4.346 -1.725 1.00 . A A . 54 PRO N 1 1 3 1263 1 1 10 PRO O O -0.999 3.971 -2.966 1.00 . A A . 54 PRO O 1 1 3 1264 1 1 11 CYS C C -2.455 3.844 -0.849 1.00 . A A . 55 CYS C 1 1 3 1265 1 1 11 CYS CA C -1.608 2.570 -0.741 1.00 . A A . 55 CYS CA 1 1 3 1266 1 1 11 CYS CB C -1.411 2.180 0.726 1.00 . A A . 55 CYS CB 1 1 3 1267 1 1 11 CYS H H 0.545 2.475 -0.770 1.00 . A A . 55 CYS H 1 1 3 1268 1 1 11 CYS HA H -2.071 1.759 -1.281 1.00 . A A . 55 CYS HA 1 1 3 1269 1 1 11 CYS HB2 H -0.403 1.818 0.870 1.00 . A A . 55 CYS HB2 1 1 3 1270 1 1 11 CYS HB3 H -1.577 3.047 1.350 1.00 . A A . 55 CYS HB3 1 1 3 1271 1 1 11 CYS N N -0.230 2.826 -1.255 1.00 . A A . 55 CYS N 1 1 3 1272 1 1 11 CYS O O -1.943 4.945 -0.800 1.00 . A A . 55 CYS O 1 1 3 1273 1 1 11 CYS SG S -2.587 0.884 1.189 1.00 . A A . 55 CYS SG 1 1 3 1274 1 1 12 GLN C C -5.845 4.747 -0.205 1.00 . A A . 56 GLN C 1 1 3 1275 1 1 12 GLN CA C -4.620 4.903 -1.104 1.00 . A A . 56 GLN CA 1 1 3 1276 1 1 12 GLN CB C -5.050 4.956 -2.571 1.00 . A A . 56 GLN CB 1 1 3 1277 1 1 12 GLN CD C -4.079 4.556 -4.837 1.00 . A A . 56 GLN CD 1 1 3 1278 1 1 12 GLN CG C -3.818 5.153 -3.453 1.00 . A A . 56 GLN CG 1 1 3 1279 1 1 12 GLN H H -4.135 2.812 -1.030 1.00 . A A . 56 GLN H 1 1 3 1280 1 1 12 GLN HA H -4.072 5.792 -0.847 1.00 . A A . 56 GLN HA 1 1 3 1281 1 1 12 GLN HB2 H -5.541 4.031 -2.836 1.00 . A A . 56 GLN HB2 1 1 3 1282 1 1 12 GLN HB3 H -5.730 5.781 -2.717 1.00 . A A . 56 GLN HB3 1 1 3 1283 1 1 12 GLN HE21 H -6.057 4.666 -4.666 1.00 . A A . 56 GLN HE21 1 1 3 1284 1 1 12 GLN HE22 H -5.484 4.016 -6.136 1.00 . A A . 56 GLN HE22 1 1 3 1285 1 1 12 GLN HG2 H -3.611 6.210 -3.548 1.00 . A A . 56 GLN HG2 1 1 3 1286 1 1 12 GLN HG3 H -2.972 4.659 -3.003 1.00 . A A . 56 GLN HG3 1 1 3 1287 1 1 12 GLN N N -3.743 3.704 -0.995 1.00 . A A . 56 GLN N 1 1 3 1288 1 1 12 GLN NE2 N -5.308 4.399 -5.246 1.00 . A A . 56 GLN NE2 1 1 3 1289 1 1 12 GLN O O -6.000 3.762 0.488 1.00 . A A . 56 GLN O 1 1 3 1290 1 1 12 GLN OE1 O -3.154 4.228 -5.554 1.00 . A A . 56 GLN OE1 1 1 3 1291 1 1 13 ASN C C -7.550 5.456 2.100 1.00 . A A . 57 ASN C 1 1 3 1292 1 1 13 ASN CA C -7.943 5.621 0.631 1.00 . A A . 57 ASN CA 1 1 3 1293 1 1 13 ASN CB C -8.692 4.379 0.132 1.00 . A A . 57 ASN CB 1 1 3 1294 1 1 13 ASN CG C -8.578 4.280 -1.392 1.00 . A A . 57 ASN CG 1 1 3 1295 1 1 13 ASN H H -6.577 6.495 -0.790 1.00 . A A . 57 ASN H 1 1 3 1296 1 1 13 ASN HA H -8.555 6.498 0.503 1.00 . A A . 57 ASN HA 1 1 3 1297 1 1 13 ASN HB2 H -8.263 3.496 0.584 1.00 . A A . 57 ASN HB2 1 1 3 1298 1 1 13 ASN HB3 H -9.732 4.454 0.409 1.00 . A A . 57 ASN HB3 1 1 3 1299 1 1 13 ASN HD21 H -10.123 5.483 -1.730 1.00 . A A . 57 ASN HD21 1 1 3 1300 1 1 13 ASN HD22 H -9.348 4.876 -3.123 1.00 . A A . 57 ASN HD22 1 1 3 1301 1 1 13 ASN N N -6.721 5.711 -0.217 1.00 . A A . 57 ASN N 1 1 3 1302 1 1 13 ASN ND2 N -9.420 4.933 -2.143 1.00 . A A . 57 ASN ND2 1 1 3 1303 1 1 13 ASN O O -8.178 4.731 2.846 1.00 . A A . 57 ASN O 1 1 3 1304 1 1 13 ASN OD1 O -7.711 3.600 -1.905 1.00 . A A . 57 ASN OD1 1 1 3 1305 1 1 14 GLY C C -5.433 4.650 4.180 1.00 . A A . 58 GLY C 1 1 3 1306 1 1 14 GLY CA C -6.076 6.018 3.939 1.00 . A A . 58 GLY CA 1 1 3 1307 1 1 14 GLY H H -6.026 6.707 1.899 1.00 . A A . 58 GLY H 1 1 3 1308 1 1 14 GLY HA2 H -5.358 6.797 4.154 1.00 . A A . 58 GLY HA2 1 1 3 1309 1 1 14 GLY HA3 H -6.931 6.129 4.588 1.00 . A A . 58 GLY HA3 1 1 3 1310 1 1 14 GLY N N -6.515 6.128 2.519 1.00 . A A . 58 GLY N 1 1 3 1311 1 1 14 GLY O O -5.354 4.182 5.298 1.00 . A A . 58 GLY O 1 1 3 1312 1 1 15 GLY C C -2.861 2.854 3.695 1.00 . A A . 59 GLY C 1 1 3 1313 1 1 15 GLY CA C -4.334 2.668 3.328 1.00 . A A . 59 GLY CA 1 1 3 1314 1 1 15 GLY H H -5.041 4.394 2.246 1.00 . A A . 59 GLY H 1 1 3 1315 1 1 15 GLY HA2 H -4.841 2.134 4.122 1.00 . A A . 59 GLY HA2 1 1 3 1316 1 1 15 GLY HA3 H -4.405 2.103 2.407 1.00 . A A . 59 GLY HA3 1 1 3 1317 1 1 15 GLY N N -4.972 4.003 3.144 1.00 . A A . 59 GLY N 1 1 3 1318 1 1 15 GLY O O -2.202 3.755 3.213 1.00 . A A . 59 GLY O 1 1 3 1319 1 1 16 SER C C -0.022 1.381 3.941 1.00 . A A . 60 SER C 1 1 3 1320 1 1 16 SER CA C -0.903 2.143 4.935 1.00 . A A . 60 SER CA 1 1 3 1321 1 1 16 SER CB C -0.813 1.515 6.324 1.00 . A A . 60 SER CB 1 1 3 1322 1 1 16 SER H H -2.884 1.292 4.921 1.00 . A A . 60 SER H 1 1 3 1323 1 1 16 SER HA H -0.616 3.181 4.978 1.00 . A A . 60 SER HA 1 1 3 1324 1 1 16 SER HB2 H -1.485 0.675 6.387 1.00 . A A . 60 SER HB2 1 1 3 1325 1 1 16 SER HB3 H 0.200 1.177 6.500 1.00 . A A . 60 SER HB3 1 1 3 1326 1 1 16 SER HG H -1.761 3.121 6.882 1.00 . A A . 60 SER HG 1 1 3 1327 1 1 16 SER N N -2.337 2.012 4.543 1.00 . A A . 60 SER N 1 1 3 1328 1 1 16 SER O O -0.495 0.876 2.945 1.00 . A A . 60 SER O 1 1 3 1329 1 1 16 SER OG O -1.180 2.481 7.301 1.00 . A A . 60 SER OG 1 1 3 1330 1 1 17 CYS C C 3.057 -0.405 4.016 1.00 . A A . 61 CYS C 1 1 3 1331 1 1 17 CYS CA C 2.140 0.551 3.256 1.00 . A A . 61 CYS CA 1 1 3 1332 1 1 17 CYS CB C 2.960 1.627 2.548 1.00 . A A . 61 CYS CB 1 1 3 1333 1 1 17 CYS H H 1.623 1.699 5.009 1.00 . A A . 61 CYS H 1 1 3 1334 1 1 17 CYS HA H 1.551 0.011 2.536 1.00 . A A . 61 CYS HA 1 1 3 1335 1 1 17 CYS HB2 H 2.370 2.526 2.452 1.00 . A A . 61 CYS HB2 1 1 3 1336 1 1 17 CYS HB3 H 3.852 1.837 3.120 1.00 . A A . 61 CYS HB3 1 1 3 1337 1 1 17 CYS N N 1.252 1.289 4.200 1.00 . A A . 61 CYS N 1 1 3 1338 1 1 17 CYS O O 3.496 -0.123 5.114 1.00 . A A . 61 CYS O 1 1 3 1339 1 1 17 CYS SG S 3.424 1.027 0.905 1.00 . A A . 61 CYS SG 1 1 3 1340 1 1 18 LYS C C 5.614 -2.553 3.443 1.00 . A A . 62 LYS C 1 1 3 1341 1 1 18 LYS CA C 4.249 -2.512 4.128 1.00 . A A . 62 LYS CA 1 1 3 1342 1 1 18 LYS CB C 3.550 -3.863 3.998 1.00 . A A . 62 LYS CB 1 1 3 1343 1 1 18 LYS CD C 3.982 -6.301 4.289 1.00 . A A . 62 LYS CD 1 1 3 1344 1 1 18 LYS CE C 4.037 -7.321 5.428 1.00 . A A . 62 LYS CE 1 1 3 1345 1 1 18 LYS CG C 4.294 -4.907 4.832 1.00 . A A . 62 LYS CG 1 1 3 1346 1 1 18 LYS H H 2.990 -1.746 2.548 1.00 . A A . 62 LYS H 1 1 3 1347 1 1 18 LYS HA H 4.357 -2.252 5.170 1.00 . A A . 62 LYS HA 1 1 3 1348 1 1 18 LYS HB2 H 2.534 -3.776 4.349 1.00 . A A . 62 LYS HB2 1 1 3 1349 1 1 18 LYS HB3 H 3.551 -4.168 2.965 1.00 . A A . 62 LYS HB3 1 1 3 1350 1 1 18 LYS HD2 H 2.995 -6.302 3.850 1.00 . A A . 62 LYS HD2 1 1 3 1351 1 1 18 LYS HD3 H 4.710 -6.565 3.536 1.00 . A A . 62 LYS HD3 1 1 3 1352 1 1 18 LYS HE2 H 4.607 -8.189 5.127 1.00 . A A . 62 LYS HE2 1 1 3 1353 1 1 18 LYS HE3 H 4.468 -6.875 6.311 1.00 . A A . 62 LYS HE3 1 1 3 1354 1 1 18 LYS HG2 H 5.357 -4.725 4.772 1.00 . A A . 62 LYS HG2 1 1 3 1355 1 1 18 LYS HG3 H 3.974 -4.843 5.861 1.00 . A A . 62 LYS HG3 1 1 3 1356 1 1 18 LYS HZ1 H 2.024 -6.838 5.644 1.00 . A A . 62 LYS HZ1 1 1 3 1357 1 1 18 LYS HZ2 H 2.301 -8.368 4.959 1.00 . A A . 62 LYS HZ2 1 1 3 1358 1 1 18 LYS HZ3 H 2.536 -8.125 6.624 1.00 . A A . 62 LYS HZ3 1 1 3 1359 1 1 18 LYS N N 3.354 -1.538 3.438 1.00 . A A . 62 LYS N 1 1 3 1360 1 1 18 LYS NZ N 2.617 -7.691 5.684 1.00 . A A . 62 LYS NZ 1 1 3 1361 1 1 18 LYS O O 5.715 -2.505 2.233 1.00 . A A . 62 LYS O 1 1 3 1362 1 1 19 ASP C C 8.671 -4.056 3.858 1.00 . A A . 63 ASP C 1 1 3 1363 1 1 19 ASP CA C 8.026 -2.690 3.605 1.00 . A A . 63 ASP CA 1 1 3 1364 1 1 19 ASP CB C 8.811 -1.588 4.315 1.00 . A A . 63 ASP CB 1 1 3 1365 1 1 19 ASP CG C 8.071 -0.257 4.165 1.00 . A A . 63 ASP CG 1 1 3 1366 1 1 19 ASP H H 6.556 -2.686 5.181 1.00 . A A . 63 ASP H 1 1 3 1367 1 1 19 ASP HA H 7.977 -2.487 2.548 1.00 . A A . 63 ASP HA 1 1 3 1368 1 1 19 ASP HB2 H 8.907 -1.831 5.363 1.00 . A A . 63 ASP HB2 1 1 3 1369 1 1 19 ASP HB3 H 9.792 -1.503 3.873 1.00 . A A . 63 ASP HB3 1 1 3 1370 1 1 19 ASP N N 6.664 -2.644 4.208 1.00 . A A . 63 ASP N 1 1 3 1371 1 1 19 ASP O O 9.062 -4.374 4.963 1.00 . A A . 63 ASP O 1 1 3 1372 1 1 19 ASP OD1 O 7.336 -0.114 3.202 1.00 . A A . 63 ASP OD1 1 1 3 1373 1 1 19 ASP OD2 O 8.253 0.598 5.017 1.00 . A A . 63 ASP OD2 1 1 3 1374 1 1 20 GLN C C 10.811 -6.225 2.395 1.00 . A A . 64 GLN C 1 1 3 1375 1 1 20 GLN CA C 9.412 -6.209 3.020 1.00 . A A . 64 GLN CA 1 1 3 1376 1 1 20 GLN CB C 8.494 -7.235 2.318 1.00 . A A . 64 GLN CB 1 1 3 1377 1 1 20 GLN CD C 6.349 -7.622 1.087 1.00 . A A . 64 GLN CD 1 1 3 1378 1 1 20 GLN CG C 7.260 -6.557 1.700 1.00 . A A . 64 GLN CG 1 1 3 1379 1 1 20 GLN H H 8.466 -4.582 1.957 1.00 . A A . 64 GLN H 1 1 3 1380 1 1 20 GLN HA H 9.478 -6.444 4.071 1.00 . A A . 64 GLN HA 1 1 3 1381 1 1 20 GLN HB2 H 9.051 -7.731 1.537 1.00 . A A . 64 GLN HB2 1 1 3 1382 1 1 20 GLN HB3 H 8.170 -7.970 3.040 1.00 . A A . 64 GLN HB3 1 1 3 1383 1 1 20 GLN HE21 H 6.353 -6.785 -0.716 1.00 . A A . 64 GLN HE21 1 1 3 1384 1 1 20 GLN HE22 H 5.430 -8.212 -0.574 1.00 . A A . 64 GLN HE22 1 1 3 1385 1 1 20 GLN HG2 H 6.721 -6.021 2.469 1.00 . A A . 64 GLN HG2 1 1 3 1386 1 1 20 GLN HG3 H 7.574 -5.869 0.931 1.00 . A A . 64 GLN HG3 1 1 3 1387 1 1 20 GLN N N 8.787 -4.862 2.840 1.00 . A A . 64 GLN N 1 1 3 1388 1 1 20 GLN NE2 N 6.016 -7.532 -0.171 1.00 . A A . 64 GLN NE2 1 1 3 1389 1 1 20 GLN O O 11.281 -5.231 1.878 1.00 . A A . 64 GLN O 1 1 3 1390 1 1 20 GLN OE1 O 5.934 -8.545 1.760 1.00 . A A . 64 GLN OE1 1 1 3 1391 1 1 21 LEU C C 12.804 -7.760 0.380 1.00 . A A . 65 LEU C 1 1 3 1392 1 1 21 LEU CA C 12.861 -7.414 1.869 1.00 . A A . 65 LEU CA 1 1 3 1393 1 1 21 LEU CB C 13.562 -8.526 2.649 1.00 . A A . 65 LEU CB 1 1 3 1394 1 1 21 LEU CD1 C 13.643 -9.134 5.071 1.00 . A A . 65 LEU CD1 1 1 3 1395 1 1 21 LEU CD2 C 15.391 -7.639 4.098 1.00 . A A . 65 LEU CD2 1 1 3 1396 1 1 21 LEU CG C 13.911 -8.026 4.051 1.00 . A A . 65 LEU CG 1 1 3 1397 1 1 21 LEU H H 11.094 -8.131 2.877 1.00 . A A . 65 LEU H 1 1 3 1398 1 1 21 LEU HA H 13.374 -6.484 2.014 1.00 . A A . 65 LEU HA 1 1 3 1399 1 1 21 LEU HB2 H 12.904 -9.380 2.724 1.00 . A A . 65 LEU HB2 1 1 3 1400 1 1 21 LEU HB3 H 14.466 -8.813 2.134 1.00 . A A . 65 LEU HB3 1 1 3 1401 1 1 21 LEU HD11 H 13.784 -10.096 4.601 1.00 . A A . 65 LEU HD11 1 1 3 1402 1 1 21 LEU HD12 H 14.328 -9.033 5.900 1.00 . A A . 65 LEU HD12 1 1 3 1403 1 1 21 LEU HD13 H 12.628 -9.054 5.430 1.00 . A A . 65 LEU HD13 1 1 3 1404 1 1 21 LEU HD21 H 15.978 -8.401 3.609 1.00 . A A . 65 LEU HD21 1 1 3 1405 1 1 21 LEU HD22 H 15.533 -6.695 3.591 1.00 . A A . 65 LEU HD22 1 1 3 1406 1 1 21 LEU HD23 H 15.706 -7.546 5.127 1.00 . A A . 65 LEU HD23 1 1 3 1407 1 1 21 LEU HG H 13.303 -7.164 4.288 1.00 . A A . 65 LEU HG 1 1 3 1408 1 1 21 LEU N N 11.486 -7.342 2.448 1.00 . A A . 65 LEU N 1 1 3 1409 1 1 21 LEU O O 13.761 -7.584 -0.346 1.00 . A A . 65 LEU O 1 1 3 1410 1 1 22 GLN C C 10.768 -7.528 -2.256 1.00 . A A . 66 GLN C 1 1 3 1411 1 1 22 GLN CA C 11.566 -8.605 -1.517 1.00 . A A . 66 GLN CA 1 1 3 1412 1 1 22 GLN CB C 10.815 -9.937 -1.534 1.00 . A A . 66 GLN CB 1 1 3 1413 1 1 22 GLN CD C 8.442 -10.709 -1.645 1.00 . A A . 66 GLN CD 1 1 3 1414 1 1 22 GLN CG C 9.410 -9.739 -0.965 1.00 . A A . 66 GLN CG 1 1 3 1415 1 1 22 GLN H H 10.935 -8.376 0.533 1.00 . A A . 66 GLN H 1 1 3 1416 1 1 22 GLN HA H 12.541 -8.724 -1.962 1.00 . A A . 66 GLN HA 1 1 3 1417 1 1 22 GLN HB2 H 10.747 -10.299 -2.550 1.00 . A A . 66 GLN HB2 1 1 3 1418 1 1 22 GLN HB3 H 11.347 -10.657 -0.930 1.00 . A A . 66 GLN HB3 1 1 3 1419 1 1 22 GLN HE21 H 7.681 -11.372 0.064 1.00 . A A . 66 GLN HE21 1 1 3 1420 1 1 22 GLN HE22 H 7.028 -12.068 -1.340 1.00 . A A . 66 GLN HE22 1 1 3 1421 1 1 22 GLN HG2 H 9.421 -9.928 0.099 1.00 . A A . 66 GLN HG2 1 1 3 1422 1 1 22 GLN HG3 H 9.087 -8.725 -1.146 1.00 . A A . 66 GLN HG3 1 1 3 1423 1 1 22 GLN N N 11.690 -8.248 -0.074 1.00 . A A . 66 GLN N 1 1 3 1424 1 1 22 GLN NE2 N 7.652 -11.444 -0.913 1.00 . A A . 66 GLN NE2 1 1 3 1425 1 1 22 GLN O O 10.842 -7.401 -3.462 1.00 . A A . 66 GLN O 1 1 3 1426 1 1 22 GLN OE1 O 8.406 -10.798 -2.857 1.00 . A A . 66 GLN OE1 1 1 3 1427 1 1 23 SER C C 8.387 -4.938 -1.113 1.00 . A A . 67 SER C 1 1 3 1428 1 1 23 SER CA C 9.194 -5.684 -2.180 1.00 . A A . 67 SER CA 1 1 3 1429 1 1 23 SER CB C 8.268 -6.420 -3.150 1.00 . A A . 67 SER CB 1 1 3 1430 1 1 23 SER H H 9.961 -6.881 -0.564 1.00 . A A . 67 SER H 1 1 3 1431 1 1 23 SER HA H 9.831 -5.002 -2.722 1.00 . A A . 67 SER HA 1 1 3 1432 1 1 23 SER HB2 H 8.748 -7.317 -3.500 1.00 . A A . 67 SER HB2 1 1 3 1433 1 1 23 SER HB3 H 7.350 -6.682 -2.638 1.00 . A A . 67 SER HB3 1 1 3 1434 1 1 23 SER HG H 7.766 -4.705 -3.921 1.00 . A A . 67 SER HG 1 1 3 1435 1 1 23 SER N N 10.004 -6.756 -1.535 1.00 . A A . 67 SER N 1 1 3 1436 1 1 23 SER O O 8.901 -4.595 -0.069 1.00 . A A . 67 SER O 1 1 3 1437 1 1 23 SER OG O 7.984 -5.577 -4.259 1.00 . A A . 67 SER OG 1 1 3 1438 1 1 24 TYR C C 4.815 -4.216 -0.641 1.00 . A A . 68 TYR C 1 1 3 1439 1 1 24 TYR CA C 6.298 -3.970 -0.352 1.00 . A A . 68 TYR CA 1 1 3 1440 1 1 24 TYR CB C 6.661 -2.494 -0.511 1.00 . A A . 68 TYR CB 1 1 3 1441 1 1 24 TYR CD1 C 4.836 -1.719 -2.068 1.00 . A A . 68 TYR CD1 1 1 3 1442 1 1 24 TYR CD2 C 7.114 -1.816 -2.896 1.00 . A A . 68 TYR CD2 1 1 3 1443 1 1 24 TYR CE1 C 4.402 -1.258 -3.317 1.00 . A A . 68 TYR CE1 1 1 3 1444 1 1 24 TYR CE2 C 6.679 -1.355 -4.145 1.00 . A A . 68 TYR CE2 1 1 3 1445 1 1 24 TYR CG C 6.192 -1.999 -1.858 1.00 . A A . 68 TYR CG 1 1 3 1446 1 1 24 TYR CZ C 5.324 -1.076 -4.355 1.00 . A A . 68 TYR CZ 1 1 3 1447 1 1 24 TYR H H 6.730 -4.971 -2.208 1.00 . A A . 68 TYR H 1 1 3 1448 1 1 24 TYR HA H 6.547 -4.306 0.644 1.00 . A A . 68 TYR HA 1 1 3 1449 1 1 24 TYR HB2 H 6.190 -1.915 0.272 1.00 . A A . 68 TYR HB2 1 1 3 1450 1 1 24 TYR HB3 H 7.733 -2.384 -0.440 1.00 . A A . 68 TYR HB3 1 1 3 1451 1 1 24 TYR HD1 H 4.126 -1.860 -1.268 1.00 . A A . 68 TYR HD1 1 1 3 1452 1 1 24 TYR HD2 H 8.160 -2.030 -2.733 1.00 . A A . 68 TYR HD2 1 1 3 1453 1 1 24 TYR HE1 H 3.356 -1.042 -3.479 1.00 . A A . 68 TYR HE1 1 1 3 1454 1 1 24 TYR HE2 H 7.391 -1.214 -4.946 1.00 . A A . 68 TYR HE2 1 1 3 1455 1 1 24 TYR HH H 5.594 -0.082 -5.961 1.00 . A A . 68 TYR HH 1 1 3 1456 1 1 24 TYR N N 7.131 -4.686 -1.362 1.00 . A A . 68 TYR N 1 1 3 1457 1 1 24 TYR O O 4.417 -4.389 -1.776 1.00 . A A . 68 TYR O 1 1 3 1458 1 1 24 TYR OH O 4.896 -0.622 -5.586 1.00 . A A . 68 TYR OH 1 1 3 1459 1 1 25 ILE C C 1.685 -3.513 0.946 1.00 . A A . 69 ILE C 1 1 3 1460 1 1 25 ILE CA C 2.541 -4.499 0.144 1.00 . A A . 69 ILE CA 1 1 3 1461 1 1 25 ILE CB C 2.318 -5.938 0.614 1.00 . A A . 69 ILE CB 1 1 3 1462 1 1 25 ILE CD1 C 2.205 -8.299 -0.199 1.00 . A A . 69 ILE CD1 1 1 3 1463 1 1 25 ILE CG1 C 2.707 -6.891 -0.518 1.00 . A A . 69 ILE CG1 1 1 3 1464 1 1 25 ILE CG2 C 0.844 -6.154 0.976 1.00 . A A . 69 ILE CG2 1 1 3 1465 1 1 25 ILE H H 4.336 -4.115 1.282 1.00 . A A . 69 ILE H 1 1 3 1466 1 1 25 ILE HA H 2.311 -4.423 -0.907 1.00 . A A . 69 ILE HA 1 1 3 1467 1 1 25 ILE HB H 2.934 -6.134 1.479 1.00 . A A . 69 ILE HB 1 1 3 1468 1 1 25 ILE HD11 H 2.589 -8.610 0.761 1.00 . A A . 69 ILE HD11 1 1 3 1469 1 1 25 ILE HD12 H 1.126 -8.298 -0.171 1.00 . A A . 69 ILE HD12 1 1 3 1470 1 1 25 ILE HD13 H 2.544 -8.984 -0.963 1.00 . A A . 69 ILE HD13 1 1 3 1471 1 1 25 ILE HG12 H 2.262 -6.548 -1.441 1.00 . A A . 69 ILE HG12 1 1 3 1472 1 1 25 ILE HG13 H 3.782 -6.909 -0.620 1.00 . A A . 69 ILE HG13 1 1 3 1473 1 1 25 ILE HG21 H 0.540 -5.412 1.700 1.00 . A A . 69 ILE HG21 1 1 3 1474 1 1 25 ILE HG22 H 0.238 -6.059 0.087 1.00 . A A . 69 ILE HG22 1 1 3 1475 1 1 25 ILE HG23 H 0.719 -7.140 1.396 1.00 . A A . 69 ILE HG23 1 1 3 1476 1 1 25 ILE N N 3.995 -4.247 0.373 1.00 . A A . 69 ILE N 1 1 3 1477 1 1 25 ILE O O 1.803 -3.403 2.148 1.00 . A A . 69 ILE O 1 1 3 1478 1 1 26 CYS C C -1.214 -2.513 1.670 1.00 . A A . 70 CYS C 1 1 3 1479 1 1 26 CYS CA C -0.038 -1.813 0.982 1.00 . A A . 70 CYS CA 1 1 3 1480 1 1 26 CYS CB C -0.494 -0.879 -0.148 1.00 . A A . 70 CYS CB 1 1 3 1481 1 1 26 CYS H H 0.750 -2.897 -0.689 1.00 . A A . 70 CYS H 1 1 3 1482 1 1 26 CYS HA H 0.537 -1.258 1.694 1.00 . A A . 70 CYS HA 1 1 3 1483 1 1 26 CYS HB2 H 0.003 0.065 -0.056 1.00 . A A . 70 CYS HB2 1 1 3 1484 1 1 26 CYS HB3 H -0.205 -1.328 -1.069 1.00 . A A . 70 CYS HB3 1 1 3 1485 1 1 26 CYS N N 0.825 -2.797 0.281 1.00 . A A . 70 CYS N 1 1 3 1486 1 1 26 CYS O O -1.507 -3.668 1.429 1.00 . A A . 70 CYS O 1 1 3 1487 1 1 26 CYS SG S -2.292 -0.604 -0.146 1.00 . A A . 70 CYS SG 1 1 3 1488 1 1 27 PHE C C -4.136 -1.271 3.360 1.00 . A A . 71 PHE C 1 1 3 1489 1 1 27 PHE CA C -3.062 -2.355 3.237 1.00 . A A . 71 PHE CA 1 1 3 1490 1 1 27 PHE CB C -2.534 -2.748 4.614 1.00 . A A . 71 PHE CB 1 1 3 1491 1 1 27 PHE CD1 C -1.874 -4.985 3.668 1.00 . A A . 71 PHE CD1 1 1 3 1492 1 1 27 PHE CD2 C -0.324 -3.834 5.133 1.00 . A A . 71 PHE CD2 1 1 3 1493 1 1 27 PHE CE1 C -0.965 -6.041 3.534 1.00 . A A . 71 PHE CE1 1 1 3 1494 1 1 27 PHE CE2 C 0.587 -4.889 4.999 1.00 . A A . 71 PHE CE2 1 1 3 1495 1 1 27 PHE CG C -1.552 -3.883 4.468 1.00 . A A . 71 PHE CG 1 1 3 1496 1 1 27 PHE CZ C 0.267 -5.993 4.199 1.00 . A A . 71 PHE CZ 1 1 3 1497 1 1 27 PHE H H -1.620 -0.869 2.668 1.00 . A A . 71 PHE H 1 1 3 1498 1 1 27 PHE HA H -3.450 -3.220 2.723 1.00 . A A . 71 PHE HA 1 1 3 1499 1 1 27 PHE HB2 H -2.039 -1.899 5.066 1.00 . A A . 71 PHE HB2 1 1 3 1500 1 1 27 PHE HB3 H -3.357 -3.062 5.240 1.00 . A A . 71 PHE HB3 1 1 3 1501 1 1 27 PHE HD1 H -2.823 -5.020 3.155 1.00 . A A . 71 PHE HD1 1 1 3 1502 1 1 27 PHE HD2 H -0.077 -2.981 5.747 1.00 . A A . 71 PHE HD2 1 1 3 1503 1 1 27 PHE HE1 H -1.212 -6.891 2.916 1.00 . A A . 71 PHE HE1 1 1 3 1504 1 1 27 PHE HE2 H 1.536 -4.852 5.513 1.00 . A A . 71 PHE HE2 1 1 3 1505 1 1 27 PHE HZ H 0.968 -6.807 4.095 1.00 . A A . 71 PHE HZ 1 1 3 1506 1 1 27 PHE N N -1.886 -1.795 2.514 1.00 . A A . 71 PHE N 1 1 3 1507 1 1 27 PHE O O -3.862 -0.161 3.765 1.00 . A A . 71 PHE O 1 1 3 1508 1 1 28 CYS C C -7.345 -0.820 4.273 1.00 . A A . 72 CYS C 1 1 3 1509 1 1 28 CYS CA C -6.423 -0.541 3.085 1.00 . A A . 72 CYS CA 1 1 3 1510 1 1 28 CYS CB C -7.209 -0.652 1.775 1.00 . A A . 72 CYS CB 1 1 3 1511 1 1 28 CYS H H -5.556 -2.471 2.662 1.00 . A A . 72 CYS H 1 1 3 1512 1 1 28 CYS HA H -5.990 0.443 3.170 1.00 . A A . 72 CYS HA 1 1 3 1513 1 1 28 CYS HB2 H -7.910 -1.468 1.850 1.00 . A A . 72 CYS HB2 1 1 3 1514 1 1 28 CYS HB3 H -7.749 0.269 1.602 1.00 . A A . 72 CYS HB3 1 1 3 1515 1 1 28 CYS N N -5.350 -1.575 3.000 1.00 . A A . 72 CYS N 1 1 3 1516 1 1 28 CYS O O -6.995 -1.534 5.193 1.00 . A A . 72 CYS O 1 1 3 1517 1 1 28 CYS SG S -6.085 -0.957 0.386 1.00 . A A . 72 CYS SG 1 1 3 1518 1 1 29 LEU C C -10.638 -1.359 4.884 1.00 . A A . 73 LEU C 1 1 3 1519 1 1 29 LEU CA C -9.480 -0.486 5.373 1.00 . A A . 73 LEU CA 1 1 3 1520 1 1 29 LEU CB C -9.982 0.911 5.758 1.00 . A A . 73 LEU CB 1 1 3 1521 1 1 29 LEU CD1 C -9.360 3.329 5.938 1.00 . A A . 73 LEU CD1 1 1 3 1522 1 1 29 LEU CD2 C -7.834 1.574 6.854 1.00 . A A . 73 LEU CD2 1 1 3 1523 1 1 29 LEU CG C -8.821 1.911 5.733 1.00 . A A . 73 LEU CG 1 1 3 1524 1 1 29 LEU H H -8.780 0.309 3.500 1.00 . A A . 73 LEU H 1 1 3 1525 1 1 29 LEU HA H -8.983 -0.948 6.212 1.00 . A A . 73 LEU HA 1 1 3 1526 1 1 29 LEU HB2 H -10.743 1.225 5.058 1.00 . A A . 73 LEU HB2 1 1 3 1527 1 1 29 LEU HB3 H -10.401 0.880 6.752 1.00 . A A . 73 LEU HB3 1 1 3 1528 1 1 29 LEU HD11 H -9.962 3.359 6.834 1.00 . A A . 73 LEU HD11 1 1 3 1529 1 1 29 LEU HD12 H -8.533 4.017 6.037 1.00 . A A . 73 LEU HD12 1 1 3 1530 1 1 29 LEU HD13 H -9.965 3.612 5.088 1.00 . A A . 73 LEU HD13 1 1 3 1531 1 1 29 LEU HD21 H -7.669 0.507 6.880 1.00 . A A . 73 LEU HD21 1 1 3 1532 1 1 29 LEU HD22 H -6.897 2.080 6.674 1.00 . A A . 73 LEU HD22 1 1 3 1533 1 1 29 LEU HD23 H -8.241 1.898 7.802 1.00 . A A . 73 LEU HD23 1 1 3 1534 1 1 29 LEU HG H -8.317 1.853 4.778 1.00 . A A . 73 LEU HG 1 1 3 1535 1 1 29 LEU N N -8.523 -0.260 4.255 1.00 . A A . 73 LEU N 1 1 3 1536 1 1 29 LEU O O -10.626 -1.828 3.764 1.00 . A A . 73 LEU O 1 1 3 1537 1 1 30 PRO C C -13.545 -1.739 4.213 1.00 . A A . 74 PRO C 1 1 3 1538 1 1 30 PRO CA C -12.783 -2.378 5.379 1.00 . A A . 74 PRO CA 1 1 3 1539 1 1 30 PRO CB C -13.640 -2.388 6.647 1.00 . A A . 74 PRO CB 1 1 3 1540 1 1 30 PRO CD C -11.696 -1.025 7.102 1.00 . A A . 74 PRO CD 1 1 3 1541 1 1 30 PRO CG C -12.751 -1.884 7.743 1.00 . A A . 74 PRO CG 1 1 3 1542 1 1 30 PRO HA H -12.479 -3.380 5.130 1.00 . A A . 74 PRO HA 1 1 3 1543 1 1 30 PRO HB2 H -14.493 -1.733 6.524 1.00 . A A . 74 PRO HB2 1 1 3 1544 1 1 30 PRO HB3 H -13.965 -3.392 6.871 1.00 . A A . 74 PRO HB3 1 1 3 1545 1 1 30 PRO HD2 H -12.007 0.010 7.094 1.00 . A A . 74 PRO HD2 1 1 3 1546 1 1 30 PRO HD3 H -10.751 -1.139 7.609 1.00 . A A . 74 PRO HD3 1 1 3 1547 1 1 30 PRO HG2 H -13.329 -1.299 8.445 1.00 . A A . 74 PRO HG2 1 1 3 1548 1 1 30 PRO HG3 H -12.284 -2.714 8.249 1.00 . A A . 74 PRO HG3 1 1 3 1549 1 1 30 PRO N N -11.606 -1.550 5.740 1.00 . A A . 74 PRO N 1 1 3 1550 1 1 30 PRO O O -14.437 -2.335 3.642 1.00 . A A . 74 PRO O 1 1 3 1551 1 1 31 ALA C C -13.220 -0.162 1.401 1.00 . A A . 75 ALA C 1 1 3 1552 1 1 31 ALA CA C -13.907 0.146 2.733 1.00 . A A . 75 ALA CA 1 1 3 1553 1 1 31 ALA CB C -13.810 1.639 3.044 1.00 . A A . 75 ALA CB 1 1 3 1554 1 1 31 ALA H H -12.483 -0.069 4.334 1.00 . A A . 75 ALA H 1 1 3 1555 1 1 31 ALA HA H -14.942 -0.155 2.702 1.00 . A A . 75 ALA HA 1 1 3 1556 1 1 31 ALA HB1 H -12.805 1.873 3.366 1.00 . A A . 75 ALA HB1 1 1 3 1557 1 1 31 ALA HB2 H -14.044 2.207 2.155 1.00 . A A . 75 ALA HB2 1 1 3 1558 1 1 31 ALA HB3 H -14.508 1.891 3.828 1.00 . A A . 75 ALA HB3 1 1 3 1559 1 1 31 ALA N N -13.202 -0.531 3.859 1.00 . A A . 75 ALA N 1 1 3 1560 1 1 31 ALA O O -13.841 -0.144 0.359 1.00 . A A . 75 ALA O 1 1 3 1561 1 1 32 PHE C C -10.539 -2.103 0.238 1.00 . A A . 76 PHE C 1 1 3 1562 1 1 32 PHE CA C -11.228 -0.740 0.148 1.00 . A A . 76 PHE CA 1 1 3 1563 1 1 32 PHE CB C -10.192 0.378 -0.013 1.00 . A A . 76 PHE CB 1 1 3 1564 1 1 32 PHE CD1 C -10.886 2.070 1.721 1.00 . A A . 76 PHE CD1 1 1 3 1565 1 1 32 PHE CD2 C -11.300 2.560 -0.616 1.00 . A A . 76 PHE CD2 1 1 3 1566 1 1 32 PHE CE1 C -11.458 3.296 2.081 1.00 . A A . 76 PHE CE1 1 1 3 1567 1 1 32 PHE CE2 C -11.873 3.786 -0.258 1.00 . A A . 76 PHE CE2 1 1 3 1568 1 1 32 PHE CG C -10.807 1.703 0.372 1.00 . A A . 76 PHE CG 1 1 3 1569 1 1 32 PHE CZ C -11.951 4.154 1.091 1.00 . A A . 76 PHE CZ 1 1 3 1570 1 1 32 PHE H H -11.457 -0.443 2.269 1.00 . A A . 76 PHE H 1 1 3 1571 1 1 32 PHE HA H -11.919 -0.723 -0.676 1.00 . A A . 76 PHE HA 1 1 3 1572 1 1 32 PHE HB2 H -9.341 0.176 0.622 1.00 . A A . 76 PHE HB2 1 1 3 1573 1 1 32 PHE HB3 H -9.870 0.420 -1.046 1.00 . A A . 76 PHE HB3 1 1 3 1574 1 1 32 PHE HD1 H -10.504 1.408 2.485 1.00 . A A . 76 PHE HD1 1 1 3 1575 1 1 32 PHE HD2 H -11.239 2.277 -1.657 1.00 . A A . 76 PHE HD2 1 1 3 1576 1 1 32 PHE HE1 H -11.518 3.580 3.121 1.00 . A A . 76 PHE HE1 1 1 3 1577 1 1 32 PHE HE2 H -12.255 4.447 -1.022 1.00 . A A . 76 PHE HE2 1 1 3 1578 1 1 32 PHE HZ H -12.394 5.100 1.369 1.00 . A A . 76 PHE HZ 1 1 3 1579 1 1 32 PHE N N -11.944 -0.438 1.422 1.00 . A A . 76 PHE N 1 1 3 1580 1 1 32 PHE O O -10.564 -2.755 1.264 1.00 . A A . 76 PHE O 1 1 3 1581 1 1 33 GLU C C -8.395 -4.052 -2.061 1.00 . A A . 77 GLU C 1 1 3 1582 1 1 33 GLU CA C -9.238 -3.865 -0.797 1.00 . A A . 77 GLU CA 1 1 3 1583 1 1 33 GLU CB C -10.367 -4.895 -0.747 1.00 . A A . 77 GLU CB 1 1 3 1584 1 1 33 GLU CD C -10.097 -7.371 -0.528 1.00 . A A . 77 GLU CD 1 1 3 1585 1 1 33 GLU CG C -9.979 -6.032 0.202 1.00 . A A . 77 GLU CG 1 1 3 1586 1 1 33 GLU H H -9.916 -2.002 -1.647 1.00 . A A . 77 GLU H 1 1 3 1587 1 1 33 GLU HA H -8.622 -3.950 0.084 1.00 . A A . 77 GLU HA 1 1 3 1588 1 1 33 GLU HB2 H -11.271 -4.422 -0.393 1.00 . A A . 77 GLU HB2 1 1 3 1589 1 1 33 GLU HB3 H -10.533 -5.296 -1.735 1.00 . A A . 77 GLU HB3 1 1 3 1590 1 1 33 GLU HG2 H -8.961 -5.891 0.535 1.00 . A A . 77 GLU HG2 1 1 3 1591 1 1 33 GLU HG3 H -10.641 -6.030 1.055 1.00 . A A . 77 GLU HG3 1 1 3 1592 1 1 33 GLU N N -9.925 -2.541 -0.827 1.00 . A A . 77 GLU N 1 1 3 1593 1 1 33 GLU O O -8.912 -4.131 -3.157 1.00 . A A . 77 GLU O 1 1 3 1594 1 1 33 GLU OE1 O -11.216 -7.798 -0.766 1.00 . A A . 77 GLU OE1 1 1 3 1595 1 1 33 GLU OE2 O -9.068 -7.947 -0.839 1.00 . A A . 77 GLU OE2 1 1 3 1596 1 1 34 GLY C C -4.781 -3.982 -2.737 1.00 . A A . 78 GLY C 1 1 3 1597 1 1 34 GLY CA C -6.227 -4.307 -3.108 1.00 . A A . 78 GLY CA 1 1 3 1598 1 1 34 GLY H H -6.704 -4.059 -1.022 1.00 . A A . 78 GLY H 1 1 3 1599 1 1 34 GLY HA2 H -6.292 -5.332 -3.447 1.00 . A A . 78 GLY HA2 1 1 3 1600 1 1 34 GLY HA3 H -6.550 -3.646 -3.896 1.00 . A A . 78 GLY HA3 1 1 3 1601 1 1 34 GLY N N -7.101 -4.125 -1.915 1.00 . A A . 78 GLY N 1 1 3 1602 1 1 34 GLY O O -4.508 -3.418 -1.695 1.00 . A A . 78 GLY O 1 1 3 1603 1 1 35 ARG C C -2.185 -2.531 -3.144 1.00 . A A . 79 ARG C 1 1 3 1604 1 1 35 ARG CA C -2.416 -4.039 -3.286 1.00 . A A . 79 ARG CA 1 1 3 1605 1 1 35 ARG CB C -1.644 -4.590 -4.485 1.00 . A A . 79 ARG CB 1 1 3 1606 1 1 35 ARG CD C -1.643 -6.541 -6.048 1.00 . A A . 79 ARG CD 1 1 3 1607 1 1 35 ARG CG C -1.898 -6.094 -4.607 1.00 . A A . 79 ARG CG 1 1 3 1608 1 1 35 ARG CZ C -1.888 -8.786 -6.924 1.00 . A A . 79 ARG CZ 1 1 3 1609 1 1 35 ARG H H -4.093 -4.778 -4.420 1.00 . A A . 79 ARG H 1 1 3 1610 1 1 35 ARG HA H -2.109 -4.552 -2.387 1.00 . A A . 79 ARG HA 1 1 3 1611 1 1 35 ARG HB2 H -1.977 -4.094 -5.386 1.00 . A A . 79 ARG HB2 1 1 3 1612 1 1 35 ARG HB3 H -0.588 -4.416 -4.346 1.00 . A A . 79 ARG HB3 1 1 3 1613 1 1 35 ARG HD2 H -2.031 -5.809 -6.742 1.00 . A A . 79 ARG HD2 1 1 3 1614 1 1 35 ARG HD3 H -0.589 -6.699 -6.213 1.00 . A A . 79 ARG HD3 1 1 3 1615 1 1 35 ARG HE H -3.231 -7.960 -5.718 1.00 . A A . 79 ARG HE 1 1 3 1616 1 1 35 ARG HG2 H -1.234 -6.626 -3.941 1.00 . A A . 79 ARG HG2 1 1 3 1617 1 1 35 ARG HG3 H -2.923 -6.309 -4.341 1.00 . A A . 79 ARG HG3 1 1 3 1618 1 1 35 ARG HH11 H -2.419 -7.931 -8.653 1.00 . A A . 79 ARG HH11 1 1 3 1619 1 1 35 ARG HH12 H -1.600 -9.450 -8.790 1.00 . A A . 79 ARG HH12 1 1 3 1620 1 1 35 ARG HH21 H -1.243 -9.867 -5.367 1.00 . A A . 79 ARG HH21 1 1 3 1621 1 1 35 ARG HH22 H -0.934 -10.547 -6.929 1.00 . A A . 79 ARG HH22 1 1 3 1622 1 1 35 ARG N N -3.849 -4.328 -3.585 1.00 . A A . 79 ARG N 1 1 3 1623 1 1 35 ARG NE N -2.379 -7.830 -6.184 1.00 . A A . 79 ARG NE 1 1 3 1624 1 1 35 ARG NH1 N -1.976 -8.717 -8.224 1.00 . A A . 79 ARG NH1 1 1 3 1625 1 1 35 ARG NH2 N -1.310 -9.814 -6.363 1.00 . A A . 79 ARG NH2 1 1 3 1626 1 1 35 ARG O O -1.127 -2.095 -2.743 1.00 . A A . 79 ARG O 1 1 3 1627 1 1 36 ASN C C -4.365 0.396 -3.116 1.00 . A A . 80 ASN C 1 1 3 1628 1 1 36 ASN CA C -2.996 -0.254 -3.356 1.00 . A A . 80 ASN CA 1 1 3 1629 1 1 36 ASN CB C -2.440 0.186 -4.712 1.00 . A A . 80 ASN CB 1 1 3 1630 1 1 36 ASN CG C -0.917 0.050 -4.714 1.00 . A A . 80 ASN CG 1 1 3 1631 1 1 36 ASN H H -4.006 -2.101 -3.801 1.00 . A A . 80 ASN H 1 1 3 1632 1 1 36 ASN HA H -2.299 -0.004 -2.563 1.00 . A A . 80 ASN HA 1 1 3 1633 1 1 36 ASN HB2 H -2.860 -0.436 -5.491 1.00 . A A . 80 ASN HB2 1 1 3 1634 1 1 36 ASN HB3 H -2.707 1.216 -4.892 1.00 . A A . 80 ASN HB3 1 1 3 1635 1 1 36 ASN HD21 H -0.950 -1.913 -5.030 1.00 . A A . 80 ASN HD21 1 1 3 1636 1 1 36 ASN HD22 H 0.602 -1.219 -4.899 1.00 . A A . 80 ASN HD22 1 1 3 1637 1 1 36 ASN N N -3.161 -1.732 -3.473 1.00 . A A . 80 ASN N 1 1 3 1638 1 1 36 ASN ND2 N -0.377 -1.124 -4.897 1.00 . A A . 80 ASN ND2 1 1 3 1639 1 1 36 ASN O O -4.553 1.573 -3.352 1.00 . A A . 80 ASN O 1 1 3 1640 1 1 36 ASN OD1 O -0.211 1.023 -4.555 1.00 . A A . 80 ASN OD1 1 1 3 1641 1 1 37 CYS C C -7.289 0.666 -3.759 1.00 . A A . 81 CYS C 1 1 3 1642 1 1 37 CYS CA C -6.690 0.192 -2.435 1.00 . A A . 81 CYS CA 1 1 3 1643 1 1 37 CYS CB C -6.497 1.373 -1.485 1.00 . A A . 81 CYS CB 1 1 3 1644 1 1 37 CYS H H -5.153 -1.322 -2.501 1.00 . A A . 81 CYS H 1 1 3 1645 1 1 37 CYS HA H -7.328 -0.549 -1.978 1.00 . A A . 81 CYS HA 1 1 3 1646 1 1 37 CYS HB2 H -6.047 2.196 -2.019 1.00 . A A . 81 CYS HB2 1 1 3 1647 1 1 37 CYS HB3 H -7.458 1.679 -1.094 1.00 . A A . 81 CYS HB3 1 1 3 1648 1 1 37 CYS N N -5.325 -0.371 -2.669 1.00 . A A . 81 CYS N 1 1 3 1649 1 1 37 CYS O O -8.260 1.395 -3.789 1.00 . A A . 81 CYS O 1 1 3 1650 1 1 37 CYS SG S -5.425 0.880 -0.119 1.00 . A A . 81 CYS SG 1 1 3 1651 1 1 38 GLU C C -8.657 0.130 -6.386 1.00 . A A . 82 GLU C 1 1 3 1652 1 1 38 GLU CA C -7.238 0.681 -6.182 1.00 . A A . 82 GLU CA 1 1 3 1653 1 1 38 GLU CB C -6.254 0.083 -7.196 1.00 . A A . 82 GLU CB 1 1 3 1654 1 1 38 GLU CD C -5.992 -0.844 -9.504 1.00 . A A . 82 GLU CD 1 1 3 1655 1 1 38 GLU CG C -6.950 -0.138 -8.542 1.00 . A A . 82 GLU CG 1 1 3 1656 1 1 38 GLU H H -5.928 -0.329 -4.805 1.00 . A A . 82 GLU H 1 1 3 1657 1 1 38 GLU HA H -7.239 1.756 -6.260 1.00 . A A . 82 GLU HA 1 1 3 1658 1 1 38 GLU HB2 H -5.424 0.765 -7.331 1.00 . A A . 82 GLU HB2 1 1 3 1659 1 1 38 GLU HB3 H -5.884 -0.862 -6.823 1.00 . A A . 82 GLU HB3 1 1 3 1660 1 1 38 GLU HG2 H -7.830 -0.748 -8.395 1.00 . A A . 82 GLU HG2 1 1 3 1661 1 1 38 GLU HG3 H -7.239 0.815 -8.959 1.00 . A A . 82 GLU HG3 1 1 3 1662 1 1 38 GLU N N -6.711 0.258 -4.855 1.00 . A A . 82 GLU N 1 1 3 1663 1 1 38 GLU O O -9.344 0.495 -7.319 1.00 . A A . 82 GLU O 1 1 3 1664 1 1 38 GLU OE1 O -4.807 -0.566 -9.438 1.00 . A A . 82 GLU OE1 1 1 3 1665 1 1 38 GLU OE2 O -6.461 -1.651 -10.290 1.00 . A A . 82 GLU OE2 1 1 3 1666 1 1 39 THR C C -11.328 -0.940 -4.457 1.00 . A A . 83 THR C 1 1 3 1667 1 1 39 THR CA C -10.471 -1.308 -5.671 1.00 . A A . 83 THR CA 1 1 3 1668 1 1 39 THR CB C -10.269 -2.822 -5.743 1.00 . A A . 83 THR CB 1 1 3 1669 1 1 39 THR CG2 C -11.611 -3.528 -5.538 1.00 . A A . 83 THR CG2 1 1 3 1670 1 1 39 THR H H -8.533 -1.024 -4.774 1.00 . A A . 83 THR H 1 1 3 1671 1 1 39 THR HA H -10.930 -0.952 -6.580 1.00 . A A . 83 THR HA 1 1 3 1672 1 1 39 THR HB H -9.583 -3.131 -4.971 1.00 . A A . 83 THR HB 1 1 3 1673 1 1 39 THR HG1 H -10.475 -3.355 -7.603 1.00 . A A . 83 THR HG1 1 1 3 1674 1 1 39 THR HG21 H -12.407 -2.798 -5.541 1.00 . A A . 83 THR HG21 1 1 3 1675 1 1 39 THR HG22 H -11.769 -4.238 -6.337 1.00 . A A . 83 THR HG22 1 1 3 1676 1 1 39 THR HG23 H -11.602 -4.048 -4.592 1.00 . A A . 83 THR HG23 1 1 3 1677 1 1 39 THR N N -9.100 -0.742 -5.522 1.00 . A A . 83 THR N 1 1 3 1678 1 1 39 THR O O -11.579 -1.757 -3.593 1.00 . A A . 83 THR O 1 1 3 1679 1 1 39 THR OG1 O -9.739 -3.167 -7.016 1.00 . A A . 83 THR OG1 1 1 3 1680 1 1 40 HIS C C -13.954 -0.058 -3.240 1.00 . A A . 84 HIS C 1 1 3 1681 1 1 40 HIS CA C -12.616 0.694 -3.219 1.00 . A A . 84 HIS CA 1 1 3 1682 1 1 40 HIS CB C -12.815 2.208 -3.382 1.00 . A A . 84 HIS CB 1 1 3 1683 1 1 40 HIS CD2 C -15.276 2.743 -4.128 1.00 . A A . 84 HIS CD2 1 1 3 1684 1 1 40 HIS CE1 C -14.950 2.815 -6.269 1.00 . A A . 84 HIS CE1 1 1 3 1685 1 1 40 HIS CG C -13.942 2.492 -4.337 1.00 . A A . 84 HIS CG 1 1 3 1686 1 1 40 HIS H H -11.567 0.931 -5.087 1.00 . A A . 84 HIS H 1 1 3 1687 1 1 40 HIS HA H -12.093 0.493 -2.297 1.00 . A A . 84 HIS HA 1 1 3 1688 1 1 40 HIS HB2 H -13.044 2.643 -2.421 1.00 . A A . 84 HIS HB2 1 1 3 1689 1 1 40 HIS HB3 H -11.905 2.648 -3.763 1.00 . A A . 84 HIS HB3 1 1 3 1690 1 1 40 HIS HD1 H -12.911 2.405 -6.185 1.00 . A A . 84 HIS HD1 1 1 3 1691 1 1 40 HIS HD2 H -15.759 2.777 -3.162 1.00 . A A . 84 HIS HD2 1 1 3 1692 1 1 40 HIS HE1 H -15.111 2.914 -7.332 1.00 . A A . 84 HIS HE1 1 1 3 1693 1 1 40 HIS N N -11.779 0.284 -4.382 1.00 . A A . 84 HIS N 1 1 3 1694 1 1 40 HIS ND1 N -13.757 2.543 -5.709 1.00 . A A . 84 HIS ND1 1 1 3 1695 1 1 40 HIS NE2 N -15.911 2.947 -5.351 1.00 . A A . 84 HIS NE2 1 1 3 1696 1 1 40 HIS O O -14.748 0.084 -4.148 1.00 . A A . 84 HIS O 1 1 3 1697 1 1 41 LYS C C -16.672 -0.680 -2.366 1.00 . A A . 85 LYS C 1 1 3 1698 1 1 41 LYS CA C -15.482 -1.629 -2.207 1.00 . A A . 85 LYS CA 1 1 3 1699 1 1 41 LYS CB C -15.502 -2.290 -0.828 1.00 . A A . 85 LYS CB 1 1 3 1700 1 1 41 LYS CD C -13.712 -3.260 0.622 1.00 . A A . 85 LYS CD 1 1 3 1701 1 1 41 LYS CE C -13.905 -4.584 1.366 1.00 . A A . 85 LYS CE 1 1 3 1702 1 1 41 LYS CG C -14.390 -3.338 -0.747 1.00 . A A . 85 LYS CG 1 1 3 1703 1 1 41 LYS H H -13.548 -0.971 -1.527 1.00 . A A . 85 LYS H 1 1 3 1704 1 1 41 LYS HA H -15.494 -2.384 -2.978 1.00 . A A . 85 LYS HA 1 1 3 1705 1 1 41 LYS HB2 H -15.348 -1.539 -0.066 1.00 . A A . 85 LYS HB2 1 1 3 1706 1 1 41 LYS HB3 H -16.457 -2.771 -0.674 1.00 . A A . 85 LYS HB3 1 1 3 1707 1 1 41 LYS HD2 H -12.658 -3.069 0.491 1.00 . A A . 85 LYS HD2 1 1 3 1708 1 1 41 LYS HD3 H -14.154 -2.459 1.197 1.00 . A A . 85 LYS HD3 1 1 3 1709 1 1 41 LYS HE2 H -13.233 -4.639 2.211 1.00 . A A . 85 LYS HE2 1 1 3 1710 1 1 41 LYS HE3 H -14.929 -4.689 1.690 1.00 . A A . 85 LYS HE3 1 1 3 1711 1 1 41 LYS HG2 H -14.813 -4.323 -0.886 1.00 . A A . 85 LYS HG2 1 1 3 1712 1 1 41 LYS HG3 H -13.659 -3.147 -1.519 1.00 . A A . 85 LYS HG3 1 1 3 1713 1 1 41 LYS HZ1 H -12.960 -5.239 -0.371 1.00 . A A . 85 LYS HZ1 1 1 3 1714 1 1 41 LYS HZ2 H -13.083 -6.423 0.842 1.00 . A A . 85 LYS HZ2 1 1 3 1715 1 1 41 LYS HZ3 H -14.451 -5.990 -0.069 1.00 . A A . 85 LYS HZ3 1 1 3 1716 1 1 41 LYS N N -14.203 -0.865 -2.246 1.00 . A A . 85 LYS N 1 1 3 1717 1 1 41 LYS NZ N -13.575 -5.638 0.367 1.00 . A A . 85 LYS NZ 1 1 3 1718 1 1 41 LYS O O -16.798 0.222 -1.555 1.00 . A A . 85 LYS O 1 1 3 1719 1 1 41 LYS OXT O -17.437 -0.872 -3.297 1.00 . A A . 85 LYS OXT 1 1 4 1720 1 1 1 SER C C 10.186 6.573 5.288 1.00 . A A . 45 SER C 1 1 4 1721 1 1 1 SER CA C 10.252 6.351 6.801 1.00 . A A . 45 SER CA 1 1 4 1722 1 1 1 SER CB C 9.700 4.974 7.166 1.00 . A A . 45 SER CB 1 1 4 1723 1 1 1 SER H1 H 9.475 8.264 7.081 1.00 . A A . 45 SER H1 1 1 4 1724 1 1 1 SER H2 H 8.373 7.013 7.410 1.00 . A A . 45 SER H2 1 1 4 1725 1 1 1 SER H3 H 9.620 7.362 8.510 1.00 . A A . 45 SER H3 1 1 4 1726 1 1 1 SER HA H 11.267 6.446 7.153 1.00 . A A . 45 SER HA 1 1 4 1727 1 1 1 SER HB2 H 8.631 5.031 7.284 1.00 . A A . 45 SER HB2 1 1 4 1728 1 1 1 SER HB3 H 9.935 4.272 6.376 1.00 . A A . 45 SER HB3 1 1 4 1729 1 1 1 SER HG H 10.720 3.702 8.228 1.00 . A A . 45 SER HG 1 1 4 1730 1 1 1 SER N N 9.363 7.321 7.503 1.00 . A A . 45 SER N 1 1 4 1731 1 1 1 SER O O 9.122 6.626 4.704 1.00 . A A . 45 SER O 1 1 4 1732 1 1 1 SER OG O 10.283 4.542 8.387 1.00 . A A . 45 SER OG 1 1 4 1733 1 1 2 ASP C C 12.482 6.168 2.527 1.00 . A A . 46 ASP C 1 1 4 1734 1 1 2 ASP CA C 11.317 6.923 3.174 1.00 . A A . 46 ASP CA 1 1 4 1735 1 1 2 ASP CB C 11.491 8.431 2.996 1.00 . A A . 46 ASP CB 1 1 4 1736 1 1 2 ASP CG C 10.145 9.063 2.639 1.00 . A A . 46 ASP CG 1 1 4 1737 1 1 2 ASP H H 12.164 6.658 5.138 1.00 . A A . 46 ASP H 1 1 4 1738 1 1 2 ASP HA H 10.379 6.608 2.745 1.00 . A A . 46 ASP HA 1 1 4 1739 1 1 2 ASP HB2 H 11.859 8.861 3.918 1.00 . A A . 46 ASP HB2 1 1 4 1740 1 1 2 ASP HB3 H 12.198 8.622 2.203 1.00 . A A . 46 ASP HB3 1 1 4 1741 1 1 2 ASP N N 11.316 6.704 4.648 1.00 . A A . 46 ASP N 1 1 4 1742 1 1 2 ASP O O 13.635 6.446 2.790 1.00 . A A . 46 ASP O 1 1 4 1743 1 1 2 ASP OD1 O 9.404 9.388 3.552 1.00 . A A . 46 ASP OD1 1 1 4 1744 1 1 2 ASP OD2 O 9.878 9.212 1.458 1.00 . A A . 46 ASP OD2 1 1 4 1745 1 1 3 GLY C C 12.954 4.264 -0.459 1.00 . A A . 47 GLY C 1 1 4 1746 1 1 3 GLY CA C 13.280 4.445 1.023 1.00 . A A . 47 GLY CA 1 1 4 1747 1 1 3 GLY H H 11.253 5.007 1.487 1.00 . A A . 47 GLY H 1 1 4 1748 1 1 3 GLY HA2 H 14.213 4.983 1.126 1.00 . A A . 47 GLY HA2 1 1 4 1749 1 1 3 GLY HA3 H 13.371 3.475 1.489 1.00 . A A . 47 GLY HA3 1 1 4 1750 1 1 3 GLY N N 12.189 5.216 1.685 1.00 . A A . 47 GLY N 1 1 4 1751 1 1 3 GLY O O 13.734 4.610 -1.324 1.00 . A A . 47 GLY O 1 1 4 1752 1 1 4 ASP C C 9.998 2.986 -2.290 1.00 . A A . 48 ASP C 1 1 4 1753 1 1 4 ASP CA C 11.430 3.519 -2.191 1.00 . A A . 48 ASP CA 1 1 4 1754 1 1 4 ASP CB C 12.426 2.487 -2.718 1.00 . A A . 48 ASP CB 1 1 4 1755 1 1 4 ASP CG C 13.392 3.161 -3.693 1.00 . A A . 48 ASP CG 1 1 4 1756 1 1 4 ASP H H 11.189 3.450 -0.050 1.00 . A A . 48 ASP H 1 1 4 1757 1 1 4 ASP HA H 11.528 4.441 -2.742 1.00 . A A . 48 ASP HA 1 1 4 1758 1 1 4 ASP HB2 H 12.979 2.069 -1.890 1.00 . A A . 48 ASP HB2 1 1 4 1759 1 1 4 ASP HB3 H 11.891 1.700 -3.228 1.00 . A A . 48 ASP HB3 1 1 4 1760 1 1 4 ASP N N 11.806 3.723 -0.762 1.00 . A A . 48 ASP N 1 1 4 1761 1 1 4 ASP O O 9.060 3.732 -2.489 1.00 . A A . 48 ASP O 1 1 4 1762 1 1 4 ASP OD1 O 12.959 4.046 -4.411 1.00 . A A . 48 ASP OD1 1 1 4 1763 1 1 4 ASP OD2 O 14.552 2.780 -3.705 1.00 . A A . 48 ASP OD2 1 1 4 1764 1 1 5 GLN C C 7.481 2.001 -1.426 1.00 . A A . 49 GLN C 1 1 4 1765 1 1 5 GLN CA C 8.442 1.133 -2.238 1.00 . A A . 49 GLN CA 1 1 4 1766 1 1 5 GLN CB C 8.524 -0.272 -1.637 1.00 . A A . 49 GLN CB 1 1 4 1767 1 1 5 GLN CD C 9.828 -0.810 -3.701 1.00 . A A . 49 GLN CD 1 1 4 1768 1 1 5 GLN CG C 9.729 -1.036 -2.195 1.00 . A A . 49 GLN CG 1 1 4 1769 1 1 5 GLN H H 10.586 1.114 -1.992 1.00 . A A . 49 GLN H 1 1 4 1770 1 1 5 GLN HA H 8.120 1.079 -3.260 1.00 . A A . 49 GLN HA 1 1 4 1771 1 1 5 GLN HB2 H 8.619 -0.190 -0.574 1.00 . A A . 49 GLN HB2 1 1 4 1772 1 1 5 GLN HB3 H 7.619 -0.812 -1.873 1.00 . A A . 49 GLN HB3 1 1 4 1773 1 1 5 GLN HE21 H 7.862 -0.683 -3.936 1.00 . A A . 49 GLN HE21 1 1 4 1774 1 1 5 GLN HE22 H 8.783 -0.500 -5.353 1.00 . A A . 49 GLN HE22 1 1 4 1775 1 1 5 GLN HG2 H 10.633 -0.689 -1.716 1.00 . A A . 49 GLN HG2 1 1 4 1776 1 1 5 GLN HG3 H 9.606 -2.091 -2.001 1.00 . A A . 49 GLN HG3 1 1 4 1777 1 1 5 GLN N N 9.820 1.699 -2.152 1.00 . A A . 49 GLN N 1 1 4 1778 1 1 5 GLN NE2 N 8.734 -0.653 -4.388 1.00 . A A . 49 GLN NE2 1 1 4 1779 1 1 5 GLN O O 6.535 2.557 -1.949 1.00 . A A . 49 GLN O 1 1 4 1780 1 1 5 GLN OE1 O 10.908 -0.774 -4.255 1.00 . A A . 49 GLN OE1 1 1 4 1781 1 1 6 CYS C C 7.191 4.449 0.504 1.00 . A A . 50 CYS C 1 1 4 1782 1 1 6 CYS CA C 6.836 2.973 0.696 1.00 . A A . 50 CYS CA 1 1 4 1783 1 1 6 CYS CB C 7.124 2.536 2.132 1.00 . A A . 50 CYS CB 1 1 4 1784 1 1 6 CYS H H 8.498 1.678 0.245 1.00 . A A . 50 CYS H 1 1 4 1785 1 1 6 CYS HA H 5.800 2.796 0.453 1.00 . A A . 50 CYS HA 1 1 4 1786 1 1 6 CYS HB2 H 8.100 2.078 2.180 1.00 . A A . 50 CYS HB2 1 1 4 1787 1 1 6 CYS HB3 H 7.099 3.398 2.782 1.00 . A A . 50 CYS HB3 1 1 4 1788 1 1 6 CYS N N 7.726 2.131 -0.152 1.00 . A A . 50 CYS N 1 1 4 1789 1 1 6 CYS O O 6.448 5.332 0.887 1.00 . A A . 50 CYS O 1 1 4 1790 1 1 6 CYS SG S 5.871 1.344 2.666 1.00 . A A . 50 CYS SG 1 1 4 1791 1 1 7 ALA C C 7.746 6.818 -1.269 1.00 . A A . 51 ALA C 1 1 4 1792 1 1 7 ALA CA C 8.728 6.137 -0.313 1.00 . A A . 51 ALA CA 1 1 4 1793 1 1 7 ALA CB C 10.121 6.054 -0.938 1.00 . A A . 51 ALA CB 1 1 4 1794 1 1 7 ALA H H 8.903 3.992 -0.392 1.00 . A A . 51 ALA H 1 1 4 1795 1 1 7 ALA HA H 8.774 6.669 0.624 1.00 . A A . 51 ALA HA 1 1 4 1796 1 1 7 ALA HB1 H 10.081 5.444 -1.830 1.00 . A A . 51 ALA HB1 1 1 4 1797 1 1 7 ALA HB2 H 10.460 7.047 -1.197 1.00 . A A . 51 ALA HB2 1 1 4 1798 1 1 7 ALA HB3 H 10.808 5.613 -0.232 1.00 . A A . 51 ALA HB3 1 1 4 1799 1 1 7 ALA N N 8.322 4.720 -0.089 1.00 . A A . 51 ALA N 1 1 4 1800 1 1 7 ALA O O 7.593 8.024 -1.265 1.00 . A A . 51 ALA O 1 1 4 1801 1 1 8 SER C C 4.677 6.507 -2.498 1.00 . A A . 52 SER C 1 1 4 1802 1 1 8 SER CA C 6.101 6.653 -3.043 1.00 . A A . 52 SER CA 1 1 4 1803 1 1 8 SER CB C 6.267 5.852 -4.334 1.00 . A A . 52 SER CB 1 1 4 1804 1 1 8 SER H H 7.213 5.083 -2.073 1.00 . A A . 52 SER H 1 1 4 1805 1 1 8 SER HA H 6.334 7.690 -3.219 1.00 . A A . 52 SER HA 1 1 4 1806 1 1 8 SER HB2 H 7.308 5.623 -4.486 1.00 . A A . 52 SER HB2 1 1 4 1807 1 1 8 SER HB3 H 5.705 4.930 -4.258 1.00 . A A . 52 SER HB3 1 1 4 1808 1 1 8 SER HG H 6.285 6.364 -6.210 1.00 . A A . 52 SER HG 1 1 4 1809 1 1 8 SER N N 7.076 6.053 -2.088 1.00 . A A . 52 SER N 1 1 4 1810 1 1 8 SER O O 3.742 7.088 -3.014 1.00 . A A . 52 SER O 1 1 4 1811 1 1 8 SER OG O 5.791 6.623 -5.428 1.00 . A A . 52 SER OG 1 1 4 1812 1 1 9 SER C C 2.249 4.783 -1.846 1.00 . A A . 53 SER C 1 1 4 1813 1 1 9 SER CA C 3.147 5.553 -0.874 1.00 . A A . 53 SER CA 1 1 4 1814 1 1 9 SER CB C 2.611 6.969 -0.658 1.00 . A A . 53 SER CB 1 1 4 1815 1 1 9 SER H H 5.277 5.281 -1.057 1.00 . A A . 53 SER H 1 1 4 1816 1 1 9 SER HA H 3.209 5.036 0.071 1.00 . A A . 53 SER HA 1 1 4 1817 1 1 9 SER HB2 H 2.041 7.275 -1.519 1.00 . A A . 53 SER HB2 1 1 4 1818 1 1 9 SER HB3 H 1.974 6.982 0.217 1.00 . A A . 53 SER HB3 1 1 4 1819 1 1 9 SER HG H 3.396 8.749 -0.676 1.00 . A A . 53 SER HG 1 1 4 1820 1 1 9 SER N N 4.508 5.738 -1.457 1.00 . A A . 53 SER N 1 1 4 1821 1 1 9 SER O O 1.406 5.361 -2.504 1.00 . A A . 53 SER O 1 1 4 1822 1 1 9 SER OG O 3.703 7.861 -0.478 1.00 . A A . 53 SER OG 1 1 4 1823 1 1 10 PRO C C 0.199 2.602 -2.335 1.00 . A A . 54 PRO C 1 1 4 1824 1 1 10 PRO CA C 1.658 2.630 -2.798 1.00 . A A . 54 PRO CA 1 1 4 1825 1 1 10 PRO CB C 2.300 1.250 -2.656 1.00 . A A . 54 PRO CB 1 1 4 1826 1 1 10 PRO CD C 3.454 2.737 -1.137 1.00 . A A . 54 PRO CD 1 1 4 1827 1 1 10 PRO CG C 3.080 1.300 -1.380 1.00 . A A . 54 PRO CG 1 1 4 1828 1 1 10 PRO HA H 1.728 2.969 -3.820 1.00 . A A . 54 PRO HA 1 1 4 1829 1 1 10 PRO HB2 H 1.534 0.487 -2.601 1.00 . A A . 54 PRO HB2 1 1 4 1830 1 1 10 PRO HB3 H 2.963 1.058 -3.486 1.00 . A A . 54 PRO HB3 1 1 4 1831 1 1 10 PRO HD2 H 3.387 2.972 -0.084 1.00 . A A . 54 PRO HD2 1 1 4 1832 1 1 10 PRO HD3 H 4.446 2.941 -1.511 1.00 . A A . 54 PRO HD3 1 1 4 1833 1 1 10 PRO HG2 H 2.474 0.932 -0.564 1.00 . A A . 54 PRO HG2 1 1 4 1834 1 1 10 PRO HG3 H 3.976 0.704 -1.472 1.00 . A A . 54 PRO HG3 1 1 4 1835 1 1 10 PRO N N 2.461 3.496 -1.901 1.00 . A A . 54 PRO N 1 1 4 1836 1 1 10 PRO O O -0.700 2.990 -3.054 1.00 . A A . 54 PRO O 1 1 4 1837 1 1 11 CYS C C -2.084 3.487 -0.726 1.00 . A A . 55 CYS C 1 1 4 1838 1 1 11 CYS CA C -1.439 2.101 -0.617 1.00 . A A . 55 CYS CA 1 1 4 1839 1 1 11 CYS CB C -1.298 1.686 0.847 1.00 . A A . 55 CYS CB 1 1 4 1840 1 1 11 CYS H H 0.701 1.845 -0.569 1.00 . A A . 55 CYS H 1 1 4 1841 1 1 11 CYS HA H -2.018 1.368 -1.156 1.00 . A A . 55 CYS HA 1 1 4 1842 1 1 11 CYS HB2 H -0.348 1.195 0.990 1.00 . A A . 55 CYS HB2 1 1 4 1843 1 1 11 CYS HB3 H -1.345 2.568 1.473 1.00 . A A . 55 CYS HB3 1 1 4 1844 1 1 11 CYS N N -0.040 2.150 -1.135 1.00 . A A . 55 CYS N 1 1 4 1845 1 1 11 CYS O O -1.419 4.500 -0.635 1.00 . A A . 55 CYS O 1 1 4 1846 1 1 11 CYS SG S -2.637 0.560 1.305 1.00 . A A . 55 CYS SG 1 1 4 1847 1 1 12 GLN C C -5.393 4.831 -0.290 1.00 . A A . 56 GLN C 1 1 4 1848 1 1 12 GLN CA C -4.058 4.854 -1.038 1.00 . A A . 56 GLN CA 1 1 4 1849 1 1 12 GLN CB C -4.293 5.045 -2.535 1.00 . A A . 56 GLN CB 1 1 4 1850 1 1 12 GLN CD C -3.156 4.982 -4.758 1.00 . A A . 56 GLN CD 1 1 4 1851 1 1 12 GLN CG C -2.947 5.132 -3.250 1.00 . A A . 56 GLN CG 1 1 4 1852 1 1 12 GLN H H -3.885 2.715 -0.994 1.00 . A A . 56 GLN H 1 1 4 1853 1 1 12 GLN HA H -3.428 5.641 -0.661 1.00 . A A . 56 GLN HA 1 1 4 1854 1 1 12 GLN HB2 H -4.854 4.205 -2.921 1.00 . A A . 56 GLN HB2 1 1 4 1855 1 1 12 GLN HB3 H -4.847 5.956 -2.701 1.00 . A A . 56 GLN HB3 1 1 4 1856 1 1 12 GLN HE21 H -3.911 3.148 -4.609 1.00 . A A . 56 GLN HE21 1 1 4 1857 1 1 12 GLN HE22 H -3.804 3.769 -6.195 1.00 . A A . 56 GLN HE22 1 1 4 1858 1 1 12 GLN HG2 H -2.491 6.089 -3.041 1.00 . A A . 56 GLN HG2 1 1 4 1859 1 1 12 GLN HG3 H -2.303 4.341 -2.897 1.00 . A A . 56 GLN HG3 1 1 4 1860 1 1 12 GLN N N -3.372 3.538 -0.921 1.00 . A A . 56 GLN N 1 1 4 1861 1 1 12 GLN NE2 N -3.665 3.875 -5.226 1.00 . A A . 56 GLN NE2 1 1 4 1862 1 1 12 GLN O O -5.765 3.842 0.309 1.00 . A A . 56 GLN O 1 1 4 1863 1 1 12 GLN OE1 O -2.854 5.879 -5.518 1.00 . A A . 56 GLN OE1 1 1 4 1864 1 1 13 ASN C C -7.248 5.663 1.867 1.00 . A A . 57 ASN C 1 1 4 1865 1 1 13 ASN CA C -7.429 5.963 0.377 1.00 . A A . 57 ASN CA 1 1 4 1866 1 1 13 ASN CB C -8.275 4.880 -0.293 1.00 . A A . 57 ASN CB 1 1 4 1867 1 1 13 ASN CG C -8.270 5.097 -1.807 1.00 . A A . 57 ASN CG 1 1 4 1868 1 1 13 ASN H H -5.795 6.699 -0.819 1.00 . A A . 57 ASN H 1 1 4 1869 1 1 13 ASN HA H -7.893 6.928 0.242 1.00 . A A . 57 ASN HA 1 1 4 1870 1 1 13 ASN HB2 H -7.862 3.908 -0.065 1.00 . A A . 57 ASN HB2 1 1 4 1871 1 1 13 ASN HB3 H -9.289 4.936 0.074 1.00 . A A . 57 ASN HB3 1 1 4 1872 1 1 13 ASN HD21 H -7.908 3.186 -2.218 1.00 . A A . 57 ASN HD21 1 1 4 1873 1 1 13 ASN HD22 H -8.052 4.213 -3.573 1.00 . A A . 57 ASN HD22 1 1 4 1874 1 1 13 ASN N N -6.116 5.916 -0.326 1.00 . A A . 57 ASN N 1 1 4 1875 1 1 13 ASN ND2 N -8.059 4.081 -2.598 1.00 . A A . 57 ASN ND2 1 1 4 1876 1 1 13 ASN O O -8.033 4.956 2.468 1.00 . A A . 57 ASN O 1 1 4 1877 1 1 13 ASN OD1 O -8.460 6.202 -2.274 1.00 . A A . 57 ASN OD1 1 1 4 1878 1 1 14 GLY C C -5.349 4.578 4.117 1.00 . A A . 58 GLY C 1 1 4 1879 1 1 14 GLY CA C -5.994 5.952 3.919 1.00 . A A . 58 GLY CA 1 1 4 1880 1 1 14 GLY H H -5.604 6.770 1.966 1.00 . A A . 58 GLY H 1 1 4 1881 1 1 14 GLY HA2 H -5.342 6.716 4.315 1.00 . A A . 58 GLY HA2 1 1 4 1882 1 1 14 GLY HA3 H -6.938 5.978 4.442 1.00 . A A . 58 GLY HA3 1 1 4 1883 1 1 14 GLY N N -6.222 6.200 2.468 1.00 . A A . 58 GLY N 1 1 4 1884 1 1 14 GLY O O -5.262 4.077 5.220 1.00 . A A . 58 GLY O 1 1 4 1885 1 1 15 GLY C C -2.768 2.802 3.527 1.00 . A A . 59 GLY C 1 1 4 1886 1 1 15 GLY CA C -4.253 2.625 3.200 1.00 . A A . 59 GLY CA 1 1 4 1887 1 1 15 GLY H H -4.968 4.381 2.176 1.00 . A A . 59 GLY H 1 1 4 1888 1 1 15 GLY HA2 H -4.737 2.077 3.998 1.00 . A A . 59 GLY HA2 1 1 4 1889 1 1 15 GLY HA3 H -4.353 2.078 2.273 1.00 . A A . 59 GLY HA3 1 1 4 1890 1 1 15 GLY N N -4.892 3.964 3.060 1.00 . A A . 59 GLY N 1 1 4 1891 1 1 15 GLY O O -2.124 3.715 3.050 1.00 . A A . 59 GLY O 1 1 4 1892 1 1 16 SER C C 0.074 1.220 3.739 1.00 . A A . 60 SER C 1 1 4 1893 1 1 16 SER CA C -0.778 2.059 4.694 1.00 . A A . 60 SER CA 1 1 4 1894 1 1 16 SER CB C -0.675 1.517 6.120 1.00 . A A . 60 SER CB 1 1 4 1895 1 1 16 SER H H -2.758 1.209 4.712 1.00 . A A . 60 SER H 1 1 4 1896 1 1 16 SER HA H -0.468 3.093 4.670 1.00 . A A . 60 SER HA 1 1 4 1897 1 1 16 SER HB2 H -0.885 0.460 6.120 1.00 . A A . 60 SER HB2 1 1 4 1898 1 1 16 SER HB3 H 0.326 1.683 6.495 1.00 . A A . 60 SER HB3 1 1 4 1899 1 1 16 SER HG H -2.267 1.533 7.238 1.00 . A A . 60 SER HG 1 1 4 1900 1 1 16 SER N N -2.221 1.937 4.338 1.00 . A A . 60 SER N 1 1 4 1901 1 1 16 SER O O -0.440 0.460 2.945 1.00 . A A . 60 SER O 1 1 4 1902 1 1 16 SER OG O -1.622 2.181 6.944 1.00 . A A . 60 SER OG 1 1 4 1903 1 1 17 CYS C C 3.270 -0.243 3.706 1.00 . A A . 61 CYS C 1 1 4 1904 1 1 17 CYS CA C 2.241 0.552 2.896 1.00 . A A . 61 CYS CA 1 1 4 1905 1 1 17 CYS CB C 2.932 1.585 2.001 1.00 . A A . 61 CYS CB 1 1 4 1906 1 1 17 CYS H H 1.768 1.967 4.454 1.00 . A A . 61 CYS H 1 1 4 1907 1 1 17 CYS HA H 1.643 -0.113 2.294 1.00 . A A . 61 CYS HA 1 1 4 1908 1 1 17 CYS HB2 H 3.388 1.083 1.160 1.00 . A A . 61 CYS HB2 1 1 4 1909 1 1 17 CYS HB3 H 2.201 2.295 1.642 1.00 . A A . 61 CYS HB3 1 1 4 1910 1 1 17 CYS N N 1.369 1.349 3.806 1.00 . A A . 61 CYS N 1 1 4 1911 1 1 17 CYS O O 3.851 0.255 4.650 1.00 . A A . 61 CYS O 1 1 4 1912 1 1 17 CYS SG S 4.209 2.459 2.941 1.00 . A A . 61 CYS SG 1 1 4 1913 1 1 18 LYS C C 5.803 -2.386 3.316 1.00 . A A . 62 LYS C 1 1 4 1914 1 1 18 LYS CA C 4.490 -2.300 4.096 1.00 . A A . 62 LYS CA 1 1 4 1915 1 1 18 LYS CB C 3.853 -3.683 4.217 1.00 . A A . 62 LYS CB 1 1 4 1916 1 1 18 LYS CD C 4.379 -6.047 4.816 1.00 . A A . 62 LYS CD 1 1 4 1917 1 1 18 LYS CE C 4.871 -6.909 5.982 1.00 . A A . 62 LYS CE 1 1 4 1918 1 1 18 LYS CG C 4.746 -4.585 5.070 1.00 . A A . 62 LYS CG 1 1 4 1919 1 1 18 LYS H H 3.021 -1.860 2.579 1.00 . A A . 62 LYS H 1 1 4 1920 1 1 18 LYS HA H 4.661 -1.884 5.076 1.00 . A A . 62 LYS HA 1 1 4 1921 1 1 18 LYS HB2 H 2.882 -3.592 4.682 1.00 . A A . 62 LYS HB2 1 1 4 1922 1 1 18 LYS HB3 H 3.743 -4.116 3.236 1.00 . A A . 62 LYS HB3 1 1 4 1923 1 1 18 LYS HD2 H 3.306 -6.138 4.728 1.00 . A A . 62 LYS HD2 1 1 4 1924 1 1 18 LYS HD3 H 4.846 -6.382 3.902 1.00 . A A . 62 LYS HD3 1 1 4 1925 1 1 18 LYS HE2 H 5.846 -6.574 6.310 1.00 . A A . 62 LYS HE2 1 1 4 1926 1 1 18 LYS HE3 H 4.167 -6.876 6.798 1.00 . A A . 62 LYS HE3 1 1 4 1927 1 1 18 LYS HG2 H 5.781 -4.421 4.804 1.00 . A A . 62 LYS HG2 1 1 4 1928 1 1 18 LYS HG3 H 4.601 -4.354 6.114 1.00 . A A . 62 LYS HG3 1 1 4 1929 1 1 18 LYS HZ1 H 4.112 -8.479 4.847 1.00 . A A . 62 LYS HZ1 1 1 4 1930 1 1 18 LYS HZ2 H 5.808 -8.382 4.849 1.00 . A A . 62 LYS HZ2 1 1 4 1931 1 1 18 LYS HZ3 H 4.993 -8.974 6.213 1.00 . A A . 62 LYS HZ3 1 1 4 1932 1 1 18 LYS N N 3.499 -1.476 3.344 1.00 . A A . 62 LYS N 1 1 4 1933 1 1 18 LYS NZ N 4.952 -8.290 5.432 1.00 . A A . 62 LYS NZ 1 1 4 1934 1 1 18 LYS O O 5.815 -2.435 2.102 1.00 . A A . 62 LYS O 1 1 4 1935 1 1 19 ASP C C 8.926 -3.807 3.651 1.00 . A A . 63 ASP C 1 1 4 1936 1 1 19 ASP CA C 8.223 -2.493 3.305 1.00 . A A . 63 ASP CA 1 1 4 1937 1 1 19 ASP CB C 9.028 -1.302 3.824 1.00 . A A . 63 ASP CB 1 1 4 1938 1 1 19 ASP CG C 8.476 -0.011 3.217 1.00 . A A . 63 ASP CG 1 1 4 1939 1 1 19 ASP H H 6.880 -2.371 4.983 1.00 . A A . 63 ASP H 1 1 4 1940 1 1 19 ASP HA H 8.087 -2.408 2.238 1.00 . A A . 63 ASP HA 1 1 4 1941 1 1 19 ASP HB2 H 8.950 -1.257 4.900 1.00 . A A . 63 ASP HB2 1 1 4 1942 1 1 19 ASP HB3 H 10.063 -1.416 3.541 1.00 . A A . 63 ASP HB3 1 1 4 1943 1 1 19 ASP N N 6.911 -2.408 4.006 1.00 . A A . 63 ASP N 1 1 4 1944 1 1 19 ASP O O 9.384 -4.005 4.759 1.00 . A A . 63 ASP O 1 1 4 1945 1 1 19 ASP OD1 O 8.169 -0.019 2.037 1.00 . A A . 63 ASP OD1 1 1 4 1946 1 1 19 ASP OD2 O 8.371 0.964 3.943 1.00 . A A . 63 ASP OD2 1 1 4 1947 1 1 20 GLN C C 11.057 -6.048 2.283 1.00 . A A . 64 GLN C 1 1 4 1948 1 1 20 GLN CA C 9.696 -6.010 2.985 1.00 . A A . 64 GLN CA 1 1 4 1949 1 1 20 GLN CB C 8.778 -7.125 2.439 1.00 . A A . 64 GLN CB 1 1 4 1950 1 1 20 GLN CD C 6.576 -7.690 1.391 1.00 . A A . 64 GLN CD 1 1 4 1951 1 1 20 GLN CG C 7.494 -6.546 1.825 1.00 . A A . 64 GLN CG 1 1 4 1952 1 1 20 GLN H H 8.642 -4.522 1.824 1.00 . A A . 64 GLN H 1 1 4 1953 1 1 20 GLN HA H 9.828 -6.138 4.048 1.00 . A A . 64 GLN HA 1 1 4 1954 1 1 20 GLN HB2 H 9.309 -7.681 1.681 1.00 . A A . 64 GLN HB2 1 1 4 1955 1 1 20 GLN HB3 H 8.514 -7.791 3.246 1.00 . A A . 64 GLN HB3 1 1 4 1956 1 1 20 GLN HE21 H 6.296 -6.956 -0.435 1.00 . A A . 64 GLN HE21 1 1 4 1957 1 1 20 GLN HE22 H 5.486 -8.420 -0.103 1.00 . A A . 64 GLN HE22 1 1 4 1958 1 1 20 GLN HG2 H 6.988 -5.935 2.559 1.00 . A A . 64 GLN HG2 1 1 4 1959 1 1 20 GLN HG3 H 7.746 -5.943 0.966 1.00 . A A . 64 GLN HG3 1 1 4 1960 1 1 20 GLN N N 9.016 -4.705 2.710 1.00 . A A . 64 GLN N 1 1 4 1961 1 1 20 GLN NE2 N 6.078 -7.688 0.184 1.00 . A A . 64 GLN NE2 1 1 4 1962 1 1 20 GLN O O 11.481 -5.082 1.681 1.00 . A A . 64 GLN O 1 1 4 1963 1 1 20 GLN OE1 O 6.307 -8.593 2.157 1.00 . A A . 64 GLN OE1 1 1 4 1964 1 1 21 LEU C C 12.941 -7.720 0.259 1.00 . A A . 65 LEU C 1 1 4 1965 1 1 21 LEU CA C 13.084 -7.247 1.705 1.00 . A A . 65 LEU CA 1 1 4 1966 1 1 21 LEU CB C 13.858 -8.275 2.529 1.00 . A A . 65 LEU CB 1 1 4 1967 1 1 21 LEU CD1 C 15.981 -7.817 3.762 1.00 . A A . 65 LEU CD1 1 1 4 1968 1 1 21 LEU CD2 C 16.012 -9.235 1.706 1.00 . A A . 65 LEU CD2 1 1 4 1969 1 1 21 LEU CG C 15.359 -8.026 2.381 1.00 . A A . 65 LEU CG 1 1 4 1970 1 1 21 LEU H H 11.390 -7.921 2.857 1.00 . A A . 65 LEU H 1 1 4 1971 1 1 21 LEU HA H 13.584 -6.298 1.739 1.00 . A A . 65 LEU HA 1 1 4 1972 1 1 21 LEU HB2 H 13.577 -8.188 3.569 1.00 . A A . 65 LEU HB2 1 1 4 1973 1 1 21 LEU HB3 H 13.623 -9.269 2.176 1.00 . A A . 65 LEU HB3 1 1 4 1974 1 1 21 LEU HD11 H 15.730 -8.651 4.400 1.00 . A A . 65 LEU HD11 1 1 4 1975 1 1 21 LEU HD12 H 17.055 -7.747 3.667 1.00 . A A . 65 LEU HD12 1 1 4 1976 1 1 21 LEU HD13 H 15.599 -6.905 4.195 1.00 . A A . 65 LEU HD13 1 1 4 1977 1 1 21 LEU HD21 H 15.498 -10.136 2.006 1.00 . A A . 65 LEU HD21 1 1 4 1978 1 1 21 LEU HD22 H 15.952 -9.125 0.634 1.00 . A A . 65 LEU HD22 1 1 4 1979 1 1 21 LEU HD23 H 17.049 -9.297 2.004 1.00 . A A . 65 LEU HD23 1 1 4 1980 1 1 21 LEU HG H 15.519 -7.144 1.778 1.00 . A A . 65 LEU HG 1 1 4 1981 1 1 21 LEU N N 11.747 -7.154 2.361 1.00 . A A . 65 LEU N 1 1 4 1982 1 1 21 LEU O O 13.847 -7.596 -0.541 1.00 . A A . 65 LEU O 1 1 4 1983 1 1 22 GLN C C 10.714 -7.750 -2.242 1.00 . A A . 66 GLN C 1 1 4 1984 1 1 22 GLN CA C 11.596 -8.738 -1.475 1.00 . A A . 66 GLN CA 1 1 4 1985 1 1 22 GLN CB C 10.888 -10.086 -1.327 1.00 . A A . 66 GLN CB 1 1 4 1986 1 1 22 GLN CD C 8.758 -11.210 -0.660 1.00 . A A . 66 GLN CD 1 1 4 1987 1 1 22 GLN CG C 9.470 -9.863 -0.797 1.00 . A A . 66 GLN CG 1 1 4 1988 1 1 22 GLN H H 11.096 -8.341 0.586 1.00 . A A . 66 GLN H 1 1 4 1989 1 1 22 GLN HA H 12.541 -8.871 -1.977 1.00 . A A . 66 GLN HA 1 1 4 1990 1 1 22 GLN HB2 H 10.841 -10.575 -2.288 1.00 . A A . 66 GLN HB2 1 1 4 1991 1 1 22 GLN HB3 H 11.436 -10.705 -0.632 1.00 . A A . 66 GLN HB3 1 1 4 1992 1 1 22 GLN HE21 H 9.256 -11.818 -2.484 1.00 . A A . 66 GLN HE21 1 1 4 1993 1 1 22 GLN HE22 H 8.330 -12.917 -1.581 1.00 . A A . 66 GLN HE22 1 1 4 1994 1 1 22 GLN HG2 H 9.519 -9.381 0.170 1.00 . A A . 66 GLN HG2 1 1 4 1995 1 1 22 GLN HG3 H 8.923 -9.236 -1.484 1.00 . A A . 66 GLN HG3 1 1 4 1996 1 1 22 GLN N N 11.808 -8.256 -0.079 1.00 . A A . 66 GLN N 1 1 4 1997 1 1 22 GLN NE2 N 8.783 -12.051 -1.658 1.00 . A A . 66 GLN NE2 1 1 4 1998 1 1 22 GLN O O 10.723 -7.706 -3.456 1.00 . A A . 66 GLN O 1 1 4 1999 1 1 22 GLN OE1 O 8.171 -11.499 0.364 1.00 . A A . 66 GLN OE1 1 1 4 2000 1 1 23 SER C C 8.304 -5.155 -1.167 1.00 . A A . 67 SER C 1 1 4 2001 1 1 23 SER CA C 9.067 -5.971 -2.218 1.00 . A A . 67 SER CA 1 1 4 2002 1 1 23 SER CB C 8.109 -6.816 -3.059 1.00 . A A . 67 SER CB 1 1 4 2003 1 1 23 SER H H 9.963 -7.013 -0.561 1.00 . A A . 67 SER H 1 1 4 2004 1 1 23 SER HA H 9.645 -5.321 -2.855 1.00 . A A . 67 SER HA 1 1 4 2005 1 1 23 SER HB2 H 8.623 -7.688 -3.427 1.00 . A A . 67 SER HB2 1 1 4 2006 1 1 23 SER HB3 H 7.273 -7.125 -2.446 1.00 . A A . 67 SER HB3 1 1 4 2007 1 1 23 SER HG H 8.140 -6.314 -4.938 1.00 . A A . 67 SER HG 1 1 4 2008 1 1 23 SER N N 9.953 -6.959 -1.540 1.00 . A A . 67 SER N 1 1 4 2009 1 1 23 SER O O 8.885 -4.650 -0.229 1.00 . A A . 67 SER O 1 1 4 2010 1 1 23 SER OG O 7.646 -6.045 -4.160 1.00 . A A . 67 SER OG 1 1 4 2011 1 1 24 TYR C C 4.744 -4.620 -0.413 1.00 . A A . 68 TYR C 1 1 4 2012 1 1 24 TYR CA C 6.224 -4.244 -0.311 1.00 . A A . 68 TYR CA 1 1 4 2013 1 1 24 TYR CB C 6.444 -2.780 -0.688 1.00 . A A . 68 TYR CB 1 1 4 2014 1 1 24 TYR CD1 C 4.632 -2.235 -2.351 1.00 . A A . 68 TYR CD1 1 1 4 2015 1 1 24 TYR CD2 C 6.875 -2.661 -3.167 1.00 . A A . 68 TYR CD2 1 1 4 2016 1 1 24 TYR CE1 C 4.194 -2.026 -3.666 1.00 . A A . 68 TYR CE1 1 1 4 2017 1 1 24 TYR CE2 C 6.437 -2.453 -4.481 1.00 . A A . 68 TYR CE2 1 1 4 2018 1 1 24 TYR CG C 5.972 -2.551 -2.103 1.00 . A A . 68 TYR CG 1 1 4 2019 1 1 24 TYR CZ C 5.096 -2.136 -4.730 1.00 . A A . 68 TYR CZ 1 1 4 2020 1 1 24 TYR H H 6.557 -5.436 -2.073 1.00 . A A . 68 TYR H 1 1 4 2021 1 1 24 TYR HA H 6.594 -4.428 0.686 1.00 . A A . 68 TYR HA 1 1 4 2022 1 1 24 TYR HB2 H 5.885 -2.145 -0.014 1.00 . A A . 68 TYR HB2 1 1 4 2023 1 1 24 TYR HB3 H 7.497 -2.546 -0.615 1.00 . A A . 68 TYR HB3 1 1 4 2024 1 1 24 TYR HD1 H 3.935 -2.152 -1.530 1.00 . A A . 68 TYR HD1 1 1 4 2025 1 1 24 TYR HD2 H 7.910 -2.903 -2.974 1.00 . A A . 68 TYR HD2 1 1 4 2026 1 1 24 TYR HE1 H 3.160 -1.781 -3.857 1.00 . A A . 68 TYR HE1 1 1 4 2027 1 1 24 TYR HE2 H 7.133 -2.536 -5.302 1.00 . A A . 68 TYR HE2 1 1 4 2028 1 1 24 TYR HH H 4.764 -0.997 -6.226 1.00 . A A . 68 TYR HH 1 1 4 2029 1 1 24 TYR N N 7.012 -5.023 -1.311 1.00 . A A . 68 TYR N 1 1 4 2030 1 1 24 TYR O O 4.274 -5.036 -1.455 1.00 . A A . 68 TYR O 1 1 4 2031 1 1 24 TYR OH O 4.665 -1.930 -6.024 1.00 . A A . 68 TYR OH 1 1 4 2032 1 1 25 ILE C C 1.703 -3.820 1.337 1.00 . A A . 69 ILE C 1 1 4 2033 1 1 25 ILE CA C 2.557 -4.854 0.597 1.00 . A A . 69 ILE CA 1 1 4 2034 1 1 25 ILE CB C 2.474 -6.224 1.269 1.00 . A A . 69 ILE CB 1 1 4 2035 1 1 25 ILE CD1 C 2.479 -8.674 0.797 1.00 . A A . 69 ILE CD1 1 1 4 2036 1 1 25 ILE CG1 C 2.824 -7.295 0.238 1.00 . A A . 69 ILE CG1 1 1 4 2037 1 1 25 ILE CG2 C 1.056 -6.471 1.795 1.00 . A A . 69 ILE CG2 1 1 4 2038 1 1 25 ILE H H 4.395 -4.159 1.488 1.00 . A A . 69 ILE H 1 1 4 2039 1 1 25 ILE HA H 2.235 -4.937 -0.429 1.00 . A A . 69 ILE HA 1 1 4 2040 1 1 25 ILE HB H 3.176 -6.267 2.089 1.00 . A A . 69 ILE HB 1 1 4 2041 1 1 25 ILE HD11 H 2.848 -8.753 1.809 1.00 . A A . 69 ILE HD11 1 1 4 2042 1 1 25 ILE HD12 H 1.408 -8.804 0.793 1.00 . A A . 69 ILE HD12 1 1 4 2043 1 1 25 ILE HD13 H 2.937 -9.435 0.185 1.00 . A A . 69 ILE HD13 1 1 4 2044 1 1 25 ILE HG12 H 2.257 -7.118 -0.665 1.00 . A A . 69 ILE HG12 1 1 4 2045 1 1 25 ILE HG13 H 3.879 -7.251 0.017 1.00 . A A . 69 ILE HG13 1 1 4 2046 1 1 25 ILE HG21 H 0.769 -5.661 2.449 1.00 . A A . 69 ILE HG21 1 1 4 2047 1 1 25 ILE HG22 H 0.368 -6.524 0.964 1.00 . A A . 69 ILE HG22 1 1 4 2048 1 1 25 ILE HG23 H 1.032 -7.401 2.344 1.00 . A A . 69 ILE HG23 1 1 4 2049 1 1 25 ILE N N 4.003 -4.489 0.654 1.00 . A A . 69 ILE N 1 1 4 2050 1 1 25 ILE O O 1.857 -3.598 2.521 1.00 . A A . 69 ILE O 1 1 4 2051 1 1 26 CYS C C -1.202 -2.867 2.058 1.00 . A A . 70 CYS C 1 1 4 2052 1 1 26 CYS CA C -0.074 -2.178 1.282 1.00 . A A . 70 CYS CA 1 1 4 2053 1 1 26 CYS CB C -0.586 -1.353 0.093 1.00 . A A . 70 CYS CB 1 1 4 2054 1 1 26 CYS H H 0.693 -3.390 -0.311 1.00 . A A . 70 CYS H 1 1 4 2055 1 1 26 CYS HA H 0.503 -1.550 1.931 1.00 . A A . 70 CYS HA 1 1 4 2056 1 1 26 CYS HB2 H -0.088 -0.403 0.080 1.00 . A A . 70 CYS HB2 1 1 4 2057 1 1 26 CYS HB3 H -0.340 -1.883 -0.801 1.00 . A A . 70 CYS HB3 1 1 4 2058 1 1 26 CYS N N 0.799 -3.193 0.641 1.00 . A A . 70 CYS N 1 1 4 2059 1 1 26 CYS O O -1.403 -4.062 1.967 1.00 . A A . 70 CYS O 1 1 4 2060 1 1 26 CYS SG S -2.384 -1.082 0.153 1.00 . A A . 70 CYS SG 1 1 4 2061 1 1 27 PHE C C -4.154 -1.623 3.780 1.00 . A A . 71 PHE C 1 1 4 2062 1 1 27 PHE CA C -3.060 -2.680 3.608 1.00 . A A . 71 PHE CA 1 1 4 2063 1 1 27 PHE CB C -2.448 -3.048 4.960 1.00 . A A . 71 PHE CB 1 1 4 2064 1 1 27 PHE CD1 C -2.142 -5.496 4.448 1.00 . A A . 71 PHE CD1 1 1 4 2065 1 1 27 PHE CD2 C -0.191 -4.170 5.009 1.00 . A A . 71 PHE CD2 1 1 4 2066 1 1 27 PHE CE1 C -1.331 -6.628 4.302 1.00 . A A . 71 PHE CE1 1 1 4 2067 1 1 27 PHE CE2 C 0.620 -5.301 4.862 1.00 . A A . 71 PHE CE2 1 1 4 2068 1 1 27 PHE CG C -1.572 -4.267 4.802 1.00 . A A . 71 PHE CG 1 1 4 2069 1 1 27 PHE CZ C 0.051 -6.530 4.508 1.00 . A A . 71 PHE CZ 1 1 4 2070 1 1 27 PHE H H -1.747 -1.153 2.860 1.00 . A A . 71 PHE H 1 1 4 2071 1 1 27 PHE HA H -3.455 -3.561 3.126 1.00 . A A . 71 PHE HA 1 1 4 2072 1 1 27 PHE HB2 H -1.851 -2.220 5.322 1.00 . A A . 71 PHE HB2 1 1 4 2073 1 1 27 PHE HB3 H -3.238 -3.261 5.667 1.00 . A A . 71 PHE HB3 1 1 4 2074 1 1 27 PHE HD1 H -3.208 -5.571 4.288 1.00 . A A . 71 PHE HD1 1 1 4 2075 1 1 27 PHE HD2 H 0.248 -3.221 5.281 1.00 . A A . 71 PHE HD2 1 1 4 2076 1 1 27 PHE HE1 H -1.769 -7.576 4.028 1.00 . A A . 71 PHE HE1 1 1 4 2077 1 1 27 PHE HE2 H 1.686 -5.226 5.022 1.00 . A A . 71 PHE HE2 1 1 4 2078 1 1 27 PHE HZ H 0.677 -7.403 4.395 1.00 . A A . 71 PHE HZ 1 1 4 2079 1 1 27 PHE N N -1.936 -2.108 2.815 1.00 . A A . 71 PHE N 1 1 4 2080 1 1 27 PHE O O -4.077 -0.772 4.645 1.00 . A A . 71 PHE O 1 1 4 2081 1 1 28 CYS C C -7.151 -0.953 4.262 1.00 . A A . 72 CYS C 1 1 4 2082 1 1 28 CYS CA C -6.253 -0.649 3.063 1.00 . A A . 72 CYS CA 1 1 4 2083 1 1 28 CYS CB C -7.053 -0.776 1.763 1.00 . A A . 72 CYS CB 1 1 4 2084 1 1 28 CYS H H -5.200 -2.349 2.261 1.00 . A A . 72 CYS H 1 1 4 2085 1 1 28 CYS HA H -5.840 0.345 3.143 1.00 . A A . 72 CYS HA 1 1 4 2086 1 1 28 CYS HB2 H -7.669 -1.659 1.810 1.00 . A A . 72 CYS HB2 1 1 4 2087 1 1 28 CYS HB3 H -7.683 0.096 1.645 1.00 . A A . 72 CYS HB3 1 1 4 2088 1 1 28 CYS N N -5.163 -1.661 2.956 1.00 . A A . 72 CYS N 1 1 4 2089 1 1 28 CYS O O -6.768 -1.651 5.180 1.00 . A A . 72 CYS O 1 1 4 2090 1 1 28 CYS SG S -5.928 -0.902 0.351 1.00 . A A . 72 CYS SG 1 1 4 2091 1 1 29 LEU C C -10.500 -1.473 4.874 1.00 . A A . 73 LEU C 1 1 4 2092 1 1 29 LEU CA C -9.286 -0.693 5.384 1.00 . A A . 73 LEU CA 1 1 4 2093 1 1 29 LEU CB C -9.706 0.694 5.881 1.00 . A A . 73 LEU CB 1 1 4 2094 1 1 29 LEU CD1 C -8.574 2.565 4.662 1.00 . A A . 73 LEU CD1 1 1 4 2095 1 1 29 LEU CD2 C -8.506 2.481 7.158 1.00 . A A . 73 LEU CD2 1 1 4 2096 1 1 29 LEU CG C -8.499 1.638 5.878 1.00 . A A . 73 LEU CG 1 1 4 2097 1 1 29 LEU H H -8.637 0.119 3.499 1.00 . A A . 73 LEU H 1 1 4 2098 1 1 29 LEU HA H -8.789 -1.236 6.173 1.00 . A A . 73 LEU HA 1 1 4 2099 1 1 29 LEU HB2 H -10.475 1.089 5.231 1.00 . A A . 73 LEU HB2 1 1 4 2100 1 1 29 LEU HB3 H -10.094 0.614 6.885 1.00 . A A . 73 LEU HB3 1 1 4 2101 1 1 29 LEU HD11 H -8.651 1.973 3.761 1.00 . A A . 73 LEU HD11 1 1 4 2102 1 1 29 LEU HD12 H -9.442 3.203 4.748 1.00 . A A . 73 LEU HD12 1 1 4 2103 1 1 29 LEU HD13 H -7.683 3.173 4.617 1.00 . A A . 73 LEU HD13 1 1 4 2104 1 1 29 LEU HD21 H -9.465 2.966 7.265 1.00 . A A . 73 LEU HD21 1 1 4 2105 1 1 29 LEU HD22 H -8.327 1.843 8.012 1.00 . A A . 73 LEU HD22 1 1 4 2106 1 1 29 LEU HD23 H -7.729 3.229 7.100 1.00 . A A . 73 LEU HD23 1 1 4 2107 1 1 29 LEU HG H -7.588 1.056 5.833 1.00 . A A . 73 LEU HG 1 1 4 2108 1 1 29 LEU N N -8.349 -0.436 4.253 1.00 . A A . 73 LEU N 1 1 4 2109 1 1 29 LEU O O -10.553 -1.850 3.721 1.00 . A A . 73 LEU O 1 1 4 2110 1 1 30 PRO C C -13.448 -1.650 4.305 1.00 . A A . 74 PRO C 1 1 4 2111 1 1 30 PRO CA C -12.674 -2.426 5.374 1.00 . A A . 74 PRO CA 1 1 4 2112 1 1 30 PRO CB C -13.478 -2.509 6.674 1.00 . A A . 74 PRO CB 1 1 4 2113 1 1 30 PRO CD C -11.459 -1.266 7.151 1.00 . A A . 74 PRO CD 1 1 4 2114 1 1 30 PRO CG C -12.528 -2.125 7.768 1.00 . A A . 74 PRO CG 1 1 4 2115 1 1 30 PRO HA H -12.430 -3.415 5.025 1.00 . A A . 74 PRO HA 1 1 4 2116 1 1 30 PRO HB2 H -14.311 -1.819 6.640 1.00 . A A . 74 PRO HB2 1 1 4 2117 1 1 30 PRO HB3 H -13.830 -3.517 6.832 1.00 . A A . 74 PRO HB3 1 1 4 2118 1 1 30 PRO HD2 H -11.721 -0.220 7.235 1.00 . A A . 74 PRO HD2 1 1 4 2119 1 1 30 PRO HD3 H -10.503 -1.459 7.610 1.00 . A A . 74 PRO HD3 1 1 4 2120 1 1 30 PRO HG2 H -13.054 -1.570 8.532 1.00 . A A . 74 PRO HG2 1 1 4 2121 1 1 30 PRO HG3 H -12.081 -3.009 8.195 1.00 . A A . 74 PRO HG3 1 1 4 2122 1 1 30 PRO N N -11.444 -1.686 5.751 1.00 . A A . 74 PRO N 1 1 4 2123 1 1 30 PRO O O -14.389 -2.147 3.719 1.00 . A A . 74 PRO O 1 1 4 2124 1 1 31 ALA C C -13.145 0.168 1.641 1.00 . A A . 75 ALA C 1 1 4 2125 1 1 31 ALA CA C -13.766 0.386 3.023 1.00 . A A . 75 ALA CA 1 1 4 2126 1 1 31 ALA CB C -13.569 1.833 3.472 1.00 . A A . 75 ALA CB 1 1 4 2127 1 1 31 ALA H H -12.298 -0.050 4.537 1.00 . A A . 75 ALA H 1 1 4 2128 1 1 31 ALA HA H -14.816 0.144 3.009 1.00 . A A . 75 ALA HA 1 1 4 2129 1 1 31 ALA HB1 H -12.518 2.020 3.636 1.00 . A A . 75 ALA HB1 1 1 4 2130 1 1 31 ALA HB2 H -13.938 2.501 2.707 1.00 . A A . 75 ALA HB2 1 1 4 2131 1 1 31 ALA HB3 H -14.112 2.003 4.390 1.00 . A A . 75 ALA HB3 1 1 4 2132 1 1 31 ALA N N -13.057 -0.431 4.050 1.00 . A A . 75 ALA N 1 1 4 2133 1 1 31 ALA O O -13.818 0.237 0.632 1.00 . A A . 75 ALA O 1 1 4 2134 1 1 32 PHE C C -10.593 -1.698 0.185 1.00 . A A . 76 PHE C 1 1 4 2135 1 1 32 PHE CA C -11.211 -0.301 0.262 1.00 . A A . 76 PHE CA 1 1 4 2136 1 1 32 PHE CB C -10.121 0.767 0.180 1.00 . A A . 76 PHE CB 1 1 4 2137 1 1 32 PHE CD1 C -10.744 2.537 1.862 1.00 . A A . 76 PHE CD1 1 1 4 2138 1 1 32 PHE CD2 C -11.215 2.935 -0.483 1.00 . A A . 76 PHE CD2 1 1 4 2139 1 1 32 PHE CE1 C -11.289 3.785 2.184 1.00 . A A . 76 PHE CE1 1 1 4 2140 1 1 32 PHE CE2 C -11.760 4.183 -0.162 1.00 . A A . 76 PHE CE2 1 1 4 2141 1 1 32 PHE CG C -10.707 2.112 0.529 1.00 . A A . 76 PHE CG 1 1 4 2142 1 1 32 PHE CZ C -11.797 4.609 1.172 1.00 . A A . 76 PHE CZ 1 1 4 2143 1 1 32 PHE H H -11.338 -0.135 2.404 1.00 . A A . 76 PHE H 1 1 4 2144 1 1 32 PHE HA H -11.922 -0.159 -0.532 1.00 . A A . 76 PHE HA 1 1 4 2145 1 1 32 PHE HB2 H -9.328 0.529 0.875 1.00 . A A . 76 PHE HB2 1 1 4 2146 1 1 32 PHE HB3 H -9.723 0.799 -0.826 1.00 . A A . 76 PHE HB3 1 1 4 2147 1 1 32 PHE HD1 H -10.352 1.901 2.643 1.00 . A A . 76 PHE HD1 1 1 4 2148 1 1 32 PHE HD2 H -11.186 2.607 -1.511 1.00 . A A . 76 PHE HD2 1 1 4 2149 1 1 32 PHE HE1 H -11.317 4.112 3.212 1.00 . A A . 76 PHE HE1 1 1 4 2150 1 1 32 PHE HE2 H -12.152 4.817 -0.944 1.00 . A A . 76 PHE HE2 1 1 4 2151 1 1 32 PHE HZ H -12.216 5.572 1.421 1.00 . A A . 76 PHE HZ 1 1 4 2152 1 1 32 PHE N N -11.866 -0.088 1.583 1.00 . A A . 76 PHE N 1 1 4 2153 1 1 32 PHE O O -10.700 -2.490 1.100 1.00 . A A . 76 PHE O 1 1 4 2154 1 1 33 GLU C C -8.392 -3.346 -2.278 1.00 . A A . 77 GLU C 1 1 4 2155 1 1 33 GLU CA C -9.313 -3.341 -1.056 1.00 . A A . 77 GLU CA 1 1 4 2156 1 1 33 GLU CB C -10.479 -4.311 -1.258 1.00 . A A . 77 GLU CB 1 1 4 2157 1 1 33 GLU CD C -10.827 -6.768 -1.551 1.00 . A A . 77 GLU CD 1 1 4 2158 1 1 33 GLU CG C -10.084 -5.698 -0.748 1.00 . A A . 77 GLU CG 1 1 4 2159 1 1 33 GLU H H -9.872 -1.344 -1.629 1.00 . A A . 77 GLU H 1 1 4 2160 1 1 33 GLU HA H -8.763 -3.603 -0.166 1.00 . A A . 77 GLU HA 1 1 4 2161 1 1 33 GLU HB2 H -11.339 -3.955 -0.710 1.00 . A A . 77 GLU HB2 1 1 4 2162 1 1 33 GLU HB3 H -10.719 -4.370 -2.309 1.00 . A A . 77 GLU HB3 1 1 4 2163 1 1 33 GLU HG2 H -9.018 -5.834 -0.864 1.00 . A A . 77 GLU HG2 1 1 4 2164 1 1 33 GLU HG3 H -10.347 -5.786 0.295 1.00 . A A . 77 GLU HG3 1 1 4 2165 1 1 33 GLU N N -9.945 -2.001 -0.906 1.00 . A A . 77 GLU N 1 1 4 2166 1 1 33 GLU O O -8.558 -2.565 -3.193 1.00 . A A . 77 GLU O 1 1 4 2167 1 1 33 GLU OE1 O -12.034 -6.647 -1.686 1.00 . A A . 77 GLU OE1 1 1 4 2168 1 1 33 GLU OE2 O -10.176 -7.689 -2.016 1.00 . A A . 77 GLU OE2 1 1 4 2169 1 1 34 GLY C C -5.060 -4.034 -2.996 1.00 . A A . 78 GLY C 1 1 4 2170 1 1 34 GLY CA C -6.497 -4.262 -3.470 1.00 . A A . 78 GLY CA 1 1 4 2171 1 1 34 GLY H H -7.300 -4.839 -1.555 1.00 . A A . 78 GLY H 1 1 4 2172 1 1 34 GLY HA2 H -6.571 -5.228 -3.948 1.00 . A A . 78 GLY HA2 1 1 4 2173 1 1 34 GLY HA3 H -6.767 -3.489 -4.173 1.00 . A A . 78 GLY HA3 1 1 4 2174 1 1 34 GLY N N -7.421 -4.217 -2.302 1.00 . A A . 78 GLY N 1 1 4 2175 1 1 34 GLY O O -4.823 -3.560 -1.903 1.00 . A A . 78 GLY O 1 1 4 2176 1 1 35 ARG C C -2.394 -2.708 -3.084 1.00 . A A . 79 ARG C 1 1 4 2177 1 1 35 ARG CA C -2.674 -4.177 -3.422 1.00 . A A . 79 ARG CA 1 1 4 2178 1 1 35 ARG CB C -1.867 -4.606 -4.647 1.00 . A A . 79 ARG CB 1 1 4 2179 1 1 35 ARG CD C 0.421 -4.696 -5.650 1.00 . A A . 79 ARG CD 1 1 4 2180 1 1 35 ARG CG C -0.377 -4.379 -4.384 1.00 . A A . 79 ARG CG 1 1 4 2181 1 1 35 ARG CZ C 2.578 -5.623 -5.058 1.00 . A A . 79 ARG CZ 1 1 4 2182 1 1 35 ARG H H -4.318 -4.748 -4.693 1.00 . A A . 79 ARG H 1 1 4 2183 1 1 35 ARG HA H -2.429 -4.808 -2.583 1.00 . A A . 79 ARG HA 1 1 4 2184 1 1 35 ARG HB2 H -2.043 -5.655 -4.844 1.00 . A A . 79 ARG HB2 1 1 4 2185 1 1 35 ARG HB3 H -2.173 -4.023 -5.502 1.00 . A A . 79 ARG HB3 1 1 4 2186 1 1 35 ARG HD2 H -0.247 -4.988 -6.450 1.00 . A A . 79 ARG HD2 1 1 4 2187 1 1 35 ARG HD3 H 1.014 -3.846 -5.945 1.00 . A A . 79 ARG HD3 1 1 4 2188 1 1 35 ARG HE H 0.936 -6.733 -5.180 1.00 . A A . 79 ARG HE 1 1 4 2189 1 1 35 ARG HG2 H -0.215 -3.347 -4.103 1.00 . A A . 79 ARG HG2 1 1 4 2190 1 1 35 ARG HG3 H -0.050 -5.025 -3.583 1.00 . A A . 79 ARG HG3 1 1 4 2191 1 1 35 ARG HH11 H 2.779 -4.339 -6.582 1.00 . A A . 79 ARG HH11 1 1 4 2192 1 1 35 ARG HH12 H 4.216 -4.646 -5.668 1.00 . A A . 79 ARG HH12 1 1 4 2193 1 1 35 ARG HH21 H 2.675 -6.857 -3.485 1.00 . A A . 79 ARG HH21 1 1 4 2194 1 1 35 ARG HH22 H 4.158 -6.071 -3.914 1.00 . A A . 79 ARG HH22 1 1 4 2195 1 1 35 ARG N N -4.101 -4.368 -3.816 1.00 . A A . 79 ARG N 1 1 4 2196 1 1 35 ARG NE N 1.307 -5.831 -5.271 1.00 . A A . 79 ARG NE 1 1 4 2197 1 1 35 ARG NH1 N 3.242 -4.806 -5.830 1.00 . A A . 79 ARG NH1 1 1 4 2198 1 1 35 ARG NH2 N 3.184 -6.231 -4.076 1.00 . A A . 79 ARG NH2 1 1 4 2199 1 1 35 ARG O O -1.363 -2.379 -2.536 1.00 . A A . 79 ARG O 1 1 4 2200 1 1 36 ASN C C -4.405 0.341 -2.927 1.00 . A A . 80 ASN C 1 1 4 2201 1 1 36 ASN CA C -3.065 -0.380 -3.103 1.00 . A A . 80 ASN CA 1 1 4 2202 1 1 36 ASN CB C -2.328 0.164 -4.327 1.00 . A A . 80 ASN CB 1 1 4 2203 1 1 36 ASN CG C -1.031 -0.621 -4.533 1.00 . A A . 80 ASN CG 1 1 4 2204 1 1 36 ASN H H -4.120 -2.102 -3.857 1.00 . A A . 80 ASN H 1 1 4 2205 1 1 36 ASN HA H -2.451 -0.271 -2.220 1.00 . A A . 80 ASN HA 1 1 4 2206 1 1 36 ASN HB2 H -2.956 0.059 -5.201 1.00 . A A . 80 ASN HB2 1 1 4 2207 1 1 36 ASN HB3 H -2.094 1.207 -4.173 1.00 . A A . 80 ASN HB3 1 1 4 2208 1 1 36 ASN HD21 H -0.254 -0.064 -2.789 1.00 . A A . 80 ASN HD21 1 1 4 2209 1 1 36 ASN HD22 H 0.728 -1.091 -3.733 1.00 . A A . 80 ASN HD22 1 1 4 2210 1 1 36 ASN N N -3.295 -1.823 -3.410 1.00 . A A . 80 ASN N 1 1 4 2211 1 1 36 ASN ND2 N -0.110 -0.589 -3.609 1.00 . A A . 80 ASN ND2 1 1 4 2212 1 1 36 ASN O O -4.519 1.525 -3.175 1.00 . A A . 80 ASN O 1 1 4 2213 1 1 36 ASN OD1 O -0.854 -1.269 -5.544 1.00 . A A . 80 ASN OD1 1 1 4 2214 1 1 37 CYS C C -7.294 0.752 -3.686 1.00 . A A . 81 CYS C 1 1 4 2215 1 1 37 CYS CA C -6.758 0.279 -2.333 1.00 . A A . 81 CYS CA 1 1 4 2216 1 1 37 CYS CB C -6.523 1.480 -1.412 1.00 . A A . 81 CYS CB 1 1 4 2217 1 1 37 CYS H H -5.310 -1.322 -2.326 1.00 . A A . 81 CYS H 1 1 4 2218 1 1 37 CYS HA H -7.450 -0.409 -1.872 1.00 . A A . 81 CYS HA 1 1 4 2219 1 1 37 CYS HB2 H -6.068 2.281 -1.975 1.00 . A A . 81 CYS HB2 1 1 4 2220 1 1 37 CYS HB3 H -7.471 1.815 -1.015 1.00 . A A . 81 CYS HB3 1 1 4 2221 1 1 37 CYS N N -5.422 -0.365 -2.512 1.00 . A A . 81 CYS N 1 1 4 2222 1 1 37 CYS O O -8.280 1.457 -3.762 1.00 . A A . 81 CYS O 1 1 4 2223 1 1 37 CYS SG S -5.434 1.011 -0.047 1.00 . A A . 81 CYS SG 1 1 4 2224 1 1 38 GLU C C -8.520 0.245 -6.375 1.00 . A A . 82 GLU C 1 1 4 2225 1 1 38 GLU CA C -7.116 0.799 -6.102 1.00 . A A . 82 GLU CA 1 1 4 2226 1 1 38 GLU CB C -6.084 0.213 -7.074 1.00 . A A . 82 GLU CB 1 1 4 2227 1 1 38 GLU CD C -5.711 -0.676 -9.381 1.00 . A A . 82 GLU CD 1 1 4 2228 1 1 38 GLU CG C -6.711 0.025 -8.459 1.00 . A A . 82 GLU CG 1 1 4 2229 1 1 38 GLU H H -5.855 -0.198 -4.670 1.00 . A A . 82 GLU H 1 1 4 2230 1 1 38 GLU HA H -7.117 1.875 -6.173 1.00 . A A . 82 GLU HA 1 1 4 2231 1 1 38 GLU HB2 H -5.243 0.889 -7.152 1.00 . A A . 82 GLU HB2 1 1 4 2232 1 1 38 GLU HB3 H -5.742 -0.743 -6.702 1.00 . A A . 82 GLU HB3 1 1 4 2233 1 1 38 GLU HG2 H -7.604 -0.578 -8.370 1.00 . A A . 82 GLU HG2 1 1 4 2234 1 1 38 GLU HG3 H -6.966 0.988 -8.873 1.00 . A A . 82 GLU HG3 1 1 4 2235 1 1 38 GLU N N -6.649 0.371 -4.754 1.00 . A A . 82 GLU N 1 1 4 2236 1 1 38 GLU O O -9.177 0.633 -7.321 1.00 . A A . 82 GLU O 1 1 4 2237 1 1 38 GLU OE1 O -5.125 -1.656 -8.952 1.00 . A A . 82 GLU OE1 1 1 4 2238 1 1 38 GLU OE2 O -5.549 -0.221 -10.502 1.00 . A A . 82 GLU OE2 1 1 4 2239 1 1 39 THR C C -11.293 -0.778 -4.650 1.00 . A A . 83 THR C 1 1 4 2240 1 1 39 THR CA C -10.345 -1.228 -5.767 1.00 . A A . 83 THR CA 1 1 4 2241 1 1 39 THR CB C -10.150 -2.744 -5.725 1.00 . A A . 83 THR CB 1 1 4 2242 1 1 39 THR CG2 C -11.434 -3.438 -6.178 1.00 . A A . 83 THR CG2 1 1 4 2243 1 1 39 THR H H -8.441 -0.955 -4.795 1.00 . A A . 83 THR H 1 1 4 2244 1 1 39 THR HA H -10.730 -0.933 -6.730 1.00 . A A . 83 THR HA 1 1 4 2245 1 1 39 THR HB H -9.917 -3.050 -4.717 1.00 . A A . 83 THR HB 1 1 4 2246 1 1 39 THR HG1 H -8.283 -3.173 -6.064 1.00 . A A . 83 THR HG1 1 1 4 2247 1 1 39 THR HG21 H -12.176 -2.694 -6.428 1.00 . A A . 83 THR HG21 1 1 4 2248 1 1 39 THR HG22 H -11.228 -4.048 -7.045 1.00 . A A . 83 THR HG22 1 1 4 2249 1 1 39 THR HG23 H -11.807 -4.063 -5.379 1.00 . A A . 83 THR HG23 1 1 4 2250 1 1 39 THR N N -8.985 -0.656 -5.553 1.00 . A A . 83 THR N 1 1 4 2251 1 1 39 THR O O -11.733 -1.571 -3.841 1.00 . A A . 83 THR O 1 1 4 2252 1 1 39 THR OG1 O -9.082 -3.107 -6.590 1.00 . A A . 83 THR OG1 1 1 4 2253 1 1 40 HIS C C -13.772 0.090 -3.456 1.00 . A A . 84 HIS C 1 1 4 2254 1 1 40 HIS CA C -12.531 0.984 -3.537 1.00 . A A . 84 HIS CA 1 1 4 2255 1 1 40 HIS CB C -12.915 2.398 -3.976 1.00 . A A . 84 HIS CB 1 1 4 2256 1 1 40 HIS CD2 C -14.289 3.091 -1.844 1.00 . A A . 84 HIS CD2 1 1 4 2257 1 1 40 HIS CE1 C -16.174 3.536 -2.817 1.00 . A A . 84 HIS CE1 1 1 4 2258 1 1 40 HIS CG C -14.108 2.863 -3.186 1.00 . A A . 84 HIS CG 1 1 4 2259 1 1 40 HIS H H -11.246 1.110 -5.264 1.00 . A A . 84 HIS H 1 1 4 2260 1 1 40 HIS HA H -12.025 1.017 -2.585 1.00 . A A . 84 HIS HA 1 1 4 2261 1 1 40 HIS HB2 H -12.086 3.067 -3.799 1.00 . A A . 84 HIS HB2 1 1 4 2262 1 1 40 HIS HB3 H -13.159 2.395 -5.027 1.00 . A A . 84 HIS HB3 1 1 4 2263 1 1 40 HIS HD1 H -15.527 3.089 -4.743 1.00 . A A . 84 HIS HD1 1 1 4 2264 1 1 40 HIS HD2 H -13.534 2.961 -1.084 1.00 . A A . 84 HIS HD2 1 1 4 2265 1 1 40 HIS HE1 H -17.200 3.824 -2.989 1.00 . A A . 84 HIS HE1 1 1 4 2266 1 1 40 HIS N N -11.610 0.486 -4.601 1.00 . A A . 84 HIS N 1 1 4 2267 1 1 40 HIS ND1 N -15.324 3.153 -3.786 1.00 . A A . 84 HIS ND1 1 1 4 2268 1 1 40 HIS NE2 N -15.594 3.516 -1.613 1.00 . A A . 84 HIS NE2 1 1 4 2269 1 1 40 HIS O O -14.365 -0.257 -4.459 1.00 . A A . 84 HIS O 1 1 4 2270 1 1 41 LYS C C -16.642 -0.359 -2.429 1.00 . A A . 85 LYS C 1 1 4 2271 1 1 41 LYS CA C -15.371 -1.160 -2.133 1.00 . A A . 85 LYS CA 1 1 4 2272 1 1 41 LYS CB C -15.359 -1.626 -0.677 1.00 . A A . 85 LYS CB 1 1 4 2273 1 1 41 LYS CD C -14.016 -2.792 1.079 1.00 . A A . 85 LYS CD 1 1 4 2274 1 1 41 LYS CE C -13.453 -4.214 1.092 1.00 . A A . 85 LYS CE 1 1 4 2275 1 1 41 LYS CG C -13.999 -2.248 -0.351 1.00 . A A . 85 LYS CG 1 1 4 2276 1 1 41 LYS H H -13.678 0.000 -1.475 1.00 . A A . 85 LYS H 1 1 4 2277 1 1 41 LYS HA H -15.299 -2.010 -2.793 1.00 . A A . 85 LYS HA 1 1 4 2278 1 1 41 LYS HB2 H -15.535 -0.780 -0.027 1.00 . A A . 85 LYS HB2 1 1 4 2279 1 1 41 LYS HB3 H -16.135 -2.364 -0.528 1.00 . A A . 85 LYS HB3 1 1 4 2280 1 1 41 LYS HD2 H -13.412 -2.159 1.712 1.00 . A A . 85 LYS HD2 1 1 4 2281 1 1 41 LYS HD3 H -15.031 -2.806 1.448 1.00 . A A . 85 LYS HD3 1 1 4 2282 1 1 41 LYS HE2 H -13.629 -4.696 0.140 1.00 . A A . 85 LYS HE2 1 1 4 2283 1 1 41 LYS HE3 H -12.398 -4.199 1.317 1.00 . A A . 85 LYS HE3 1 1 4 2284 1 1 41 LYS HG2 H -13.798 -3.055 -1.041 1.00 . A A . 85 LYS HG2 1 1 4 2285 1 1 41 LYS HG3 H -13.229 -1.496 -0.439 1.00 . A A . 85 LYS HG3 1 1 4 2286 1 1 41 LYS HZ1 H -14.136 -4.357 3.053 1.00 . A A . 85 LYS HZ1 1 1 4 2287 1 1 41 LYS HZ2 H -15.193 -5.017 1.903 1.00 . A A . 85 LYS HZ2 1 1 4 2288 1 1 41 LYS HZ3 H -13.778 -5.853 2.333 1.00 . A A . 85 LYS HZ3 1 1 4 2289 1 1 41 LYS N N -14.169 -0.288 -2.272 1.00 . A A . 85 LYS N 1 1 4 2290 1 1 41 LYS NZ N -14.196 -4.913 2.177 1.00 . A A . 85 LYS NZ 1 1 4 2291 1 1 41 LYS O O -16.536 0.656 -3.097 1.00 . A A . 85 LYS O 1 1 4 2292 1 1 41 LYS OXT O -17.698 -0.774 -1.982 1.00 . A A . 85 LYS OXT 1 1 5 2293 1 1 1 SER C C 13.119 6.871 5.167 1.00 . A A . 45 SER C 1 1 5 2294 1 1 1 SER CA C 11.911 7.549 5.819 1.00 . A A . 45 SER CA 1 1 5 2295 1 1 1 SER CB C 11.962 7.393 7.338 1.00 . A A . 45 SER CB 1 1 5 2296 1 1 1 SER H1 H 10.856 5.877 5.158 1.00 . A A . 45 SER H1 1 1 5 2297 1 1 1 SER H2 H 9.967 6.894 6.185 1.00 . A A . 45 SER H2 1 1 5 2298 1 1 1 SER H3 H 10.251 7.353 4.574 1.00 . A A . 45 SER H3 1 1 5 2299 1 1 1 SER HA H 11.878 8.594 5.557 1.00 . A A . 45 SER HA 1 1 5 2300 1 1 1 SER HB2 H 10.962 7.413 7.738 1.00 . A A . 45 SER HB2 1 1 5 2301 1 1 1 SER HB3 H 12.428 6.448 7.585 1.00 . A A . 45 SER HB3 1 1 5 2302 1 1 1 SER HG H 12.384 9.283 7.514 1.00 . A A . 45 SER HG 1 1 5 2303 1 1 1 SER N N 10.652 6.867 5.403 1.00 . A A . 45 SER N 1 1 5 2304 1 1 1 SER O O 13.978 6.335 5.838 1.00 . A A . 45 SER O 1 1 5 2305 1 1 1 SER OG O 12.711 8.464 7.895 1.00 . A A . 45 SER OG 1 1 5 2306 1 1 2 ASP C C 14.213 6.416 1.652 1.00 . A A . 46 ASP C 1 1 5 2307 1 1 2 ASP CA C 14.346 6.246 3.171 1.00 . A A . 46 ASP CA 1 1 5 2308 1 1 2 ASP CB C 14.285 4.767 3.570 1.00 . A A . 46 ASP CB 1 1 5 2309 1 1 2 ASP CG C 12.829 4.292 3.604 1.00 . A A . 46 ASP CG 1 1 5 2310 1 1 2 ASP H H 12.488 7.328 3.341 1.00 . A A . 46 ASP H 1 1 5 2311 1 1 2 ASP HA H 15.273 6.680 3.514 1.00 . A A . 46 ASP HA 1 1 5 2312 1 1 2 ASP HB2 H 14.837 4.179 2.851 1.00 . A A . 46 ASP HB2 1 1 5 2313 1 1 2 ASP HB3 H 14.724 4.641 4.548 1.00 . A A . 46 ASP HB3 1 1 5 2314 1 1 2 ASP N N 13.192 6.891 3.865 1.00 . A A . 46 ASP N 1 1 5 2315 1 1 2 ASP O O 14.516 7.461 1.111 1.00 . A A . 46 ASP O 1 1 5 2316 1 1 2 ASP OD1 O 11.997 4.950 3.003 1.00 . A A . 46 ASP OD1 1 1 5 2317 1 1 2 ASP OD2 O 12.571 3.278 4.232 1.00 . A A . 46 ASP OD2 1 1 5 2318 1 1 3 GLY C C 13.494 4.135 -1.143 1.00 . A A . 47 GLY C 1 1 5 2319 1 1 3 GLY CA C 13.621 5.527 -0.523 1.00 . A A . 47 GLY CA 1 1 5 2320 1 1 3 GLY H H 13.523 4.566 1.400 1.00 . A A . 47 GLY H 1 1 5 2321 1 1 3 GLY HA2 H 12.737 6.106 -0.751 1.00 . A A . 47 GLY HA2 1 1 5 2322 1 1 3 GLY HA3 H 14.490 6.021 -0.929 1.00 . A A . 47 GLY HA3 1 1 5 2323 1 1 3 GLY N N 13.765 5.404 0.955 1.00 . A A . 47 GLY N 1 1 5 2324 1 1 3 GLY O O 14.467 3.425 -1.302 1.00 . A A . 47 GLY O 1 1 5 2325 1 1 4 ASP C C 10.652 2.191 -2.509 1.00 . A A . 48 ASP C 1 1 5 2326 1 1 4 ASP CA C 12.115 2.390 -2.105 1.00 . A A . 48 ASP CA 1 1 5 2327 1 1 4 ASP CB C 12.508 1.400 -1.009 1.00 . A A . 48 ASP CB 1 1 5 2328 1 1 4 ASP CG C 13.830 0.725 -1.380 1.00 . A A . 48 ASP CG 1 1 5 2329 1 1 4 ASP H H 11.529 4.325 -1.359 1.00 . A A . 48 ASP H 1 1 5 2330 1 1 4 ASP HA H 12.761 2.270 -2.960 1.00 . A A . 48 ASP HA 1 1 5 2331 1 1 4 ASP HB2 H 12.623 1.927 -0.073 1.00 . A A . 48 ASP HB2 1 1 5 2332 1 1 4 ASP HB3 H 11.739 0.649 -0.907 1.00 . A A . 48 ASP HB3 1 1 5 2333 1 1 4 ASP N N 12.302 3.738 -1.495 1.00 . A A . 48 ASP N 1 1 5 2334 1 1 4 ASP O O 10.280 2.383 -3.650 1.00 . A A . 48 ASP O 1 1 5 2335 1 1 4 ASP OD1 O 13.795 -0.212 -2.161 1.00 . A A . 48 ASP OD1 1 1 5 2336 1 1 4 ASP OD2 O 14.854 1.155 -0.877 1.00 . A A . 48 ASP OD2 1 1 5 2337 1 1 5 GLN C C 7.500 2.529 -1.077 1.00 . A A . 49 GLN C 1 1 5 2338 1 1 5 GLN CA C 8.379 1.597 -1.914 1.00 . A A . 49 GLN CA 1 1 5 2339 1 1 5 GLN CB C 8.100 0.140 -1.559 1.00 . A A . 49 GLN CB 1 1 5 2340 1 1 5 GLN CD C 9.645 -1.795 -1.223 1.00 . A A . 49 GLN CD 1 1 5 2341 1 1 5 GLN CG C 9.141 -0.758 -2.229 1.00 . A A . 49 GLN CG 1 1 5 2342 1 1 5 GLN H H 10.136 1.657 -0.667 1.00 . A A . 49 GLN H 1 1 5 2343 1 1 5 GLN HA H 8.207 1.755 -2.961 1.00 . A A . 49 GLN HA 1 1 5 2344 1 1 5 GLN HB2 H 8.153 0.020 -0.490 1.00 . A A . 49 GLN HB2 1 1 5 2345 1 1 5 GLN HB3 H 7.114 -0.132 -1.906 1.00 . A A . 49 GLN HB3 1 1 5 2346 1 1 5 GLN HE21 H 9.794 -0.483 0.262 1.00 . A A . 49 GLN HE21 1 1 5 2347 1 1 5 GLN HE22 H 10.239 -2.083 0.652 1.00 . A A . 49 GLN HE22 1 1 5 2348 1 1 5 GLN HG2 H 8.691 -1.262 -3.073 1.00 . A A . 49 GLN HG2 1 1 5 2349 1 1 5 GLN HG3 H 9.971 -0.156 -2.569 1.00 . A A . 49 GLN HG3 1 1 5 2350 1 1 5 GLN N N 9.817 1.807 -1.582 1.00 . A A . 49 GLN N 1 1 5 2351 1 1 5 GLN NE2 N 9.915 -1.422 -0.002 1.00 . A A . 49 GLN NE2 1 1 5 2352 1 1 5 GLN O O 6.747 3.326 -1.602 1.00 . A A . 49 GLN O 1 1 5 2353 1 1 5 GLN OE1 O 9.793 -2.955 -1.551 1.00 . A A . 49 GLN OE1 1 1 5 2354 1 1 6 CYS C C 7.383 4.708 1.197 1.00 . A A . 50 CYS C 1 1 5 2355 1 1 6 CYS CA C 6.756 3.315 1.091 1.00 . A A . 50 CYS CA 1 1 5 2356 1 1 6 CYS CB C 6.748 2.626 2.456 1.00 . A A . 50 CYS CB 1 1 5 2357 1 1 6 CYS H H 8.199 1.785 0.624 1.00 . A A . 50 CYS H 1 1 5 2358 1 1 6 CYS HA H 5.749 3.382 0.708 1.00 . A A . 50 CYS HA 1 1 5 2359 1 1 6 CYS HB2 H 7.764 2.450 2.776 1.00 . A A . 50 CYS HB2 1 1 5 2360 1 1 6 CYS HB3 H 6.248 3.258 3.175 1.00 . A A . 50 CYS HB3 1 1 5 2361 1 1 6 CYS N N 7.587 2.435 0.220 1.00 . A A . 50 CYS N 1 1 5 2362 1 1 6 CYS O O 6.938 5.543 1.959 1.00 . A A . 50 CYS O 1 1 5 2363 1 1 6 CYS SG S 5.871 1.048 2.330 1.00 . A A . 50 CYS SG 1 1 5 2364 1 1 7 ALA C C 8.226 7.335 -0.262 1.00 . A A . 51 ALA C 1 1 5 2365 1 1 7 ALA CA C 9.065 6.305 0.497 1.00 . A A . 51 ALA CA 1 1 5 2366 1 1 7 ALA CB C 10.423 6.114 -0.180 1.00 . A A . 51 ALA CB 1 1 5 2367 1 1 7 ALA H H 8.757 4.279 -0.171 1.00 . A A . 51 ALA H 1 1 5 2368 1 1 7 ALA HA H 9.204 6.612 1.522 1.00 . A A . 51 ALA HA 1 1 5 2369 1 1 7 ALA HB1 H 10.956 5.308 0.302 1.00 . A A . 51 ALA HB1 1 1 5 2370 1 1 7 ALA HB2 H 10.276 5.876 -1.223 1.00 . A A . 51 ALA HB2 1 1 5 2371 1 1 7 ALA HB3 H 10.998 7.026 -0.097 1.00 . A A . 51 ALA HB3 1 1 5 2372 1 1 7 ALA N N 8.413 4.965 0.438 1.00 . A A . 51 ALA N 1 1 5 2373 1 1 7 ALA O O 8.596 8.486 -0.383 1.00 . A A . 51 ALA O 1 1 5 2374 1 1 8 SER C C 4.760 7.503 -1.381 1.00 . A A . 52 SER C 1 1 5 2375 1 1 8 SER CA C 6.234 7.889 -1.529 1.00 . A A . 52 SER CA 1 1 5 2376 1 1 8 SER CB C 6.679 7.762 -2.985 1.00 . A A . 52 SER CB 1 1 5 2377 1 1 8 SER H H 6.814 5.999 -0.670 1.00 . A A . 52 SER H 1 1 5 2378 1 1 8 SER HA H 6.397 8.897 -1.180 1.00 . A A . 52 SER HA 1 1 5 2379 1 1 8 SER HB2 H 6.464 6.769 -3.343 1.00 . A A . 52 SER HB2 1 1 5 2380 1 1 8 SER HB3 H 6.143 8.483 -3.588 1.00 . A A . 52 SER HB3 1 1 5 2381 1 1 8 SER HG H 8.531 7.205 -2.777 1.00 . A A . 52 SER HG 1 1 5 2382 1 1 8 SER N N 7.095 6.932 -0.778 1.00 . A A . 52 SER N 1 1 5 2383 1 1 8 SER O O 3.919 7.915 -2.158 1.00 . A A . 52 SER O 1 1 5 2384 1 1 8 SER OG O 8.078 7.999 -3.071 1.00 . A A . 52 SER OG 1 1 5 2385 1 1 9 SER C C 2.466 5.678 -1.480 1.00 . A A . 53 SER C 1 1 5 2386 1 1 9 SER CA C 3.017 6.305 -0.196 1.00 . A A . 53 SER CA 1 1 5 2387 1 1 9 SER CB C 2.272 7.599 0.130 1.00 . A A . 53 SER CB 1 1 5 2388 1 1 9 SER H H 5.130 6.395 0.224 1.00 . A A . 53 SER H 1 1 5 2389 1 1 9 SER HA H 2.935 5.614 0.628 1.00 . A A . 53 SER HA 1 1 5 2390 1 1 9 SER HB2 H 2.870 8.204 0.792 1.00 . A A . 53 SER HB2 1 1 5 2391 1 1 9 SER HB3 H 2.086 8.146 -0.784 1.00 . A A . 53 SER HB3 1 1 5 2392 1 1 9 SER HG H 1.241 6.944 1.645 1.00 . A A . 53 SER HG 1 1 5 2393 1 1 9 SER N N 4.438 6.717 -0.391 1.00 . A A . 53 SER N 1 1 5 2394 1 1 9 SER O O 1.665 6.277 -2.169 1.00 . A A . 53 SER O 1 1 5 2395 1 1 9 SER OG O 1.042 7.283 0.770 1.00 . A A . 53 SER OG 1 1 5 2396 1 1 10 PRO C C 1.064 3.198 -2.761 1.00 . A A . 54 PRO C 1 1 5 2397 1 1 10 PRO CA C 2.472 3.761 -2.968 1.00 . A A . 54 PRO CA 1 1 5 2398 1 1 10 PRO CB C 3.488 2.632 -3.103 1.00 . A A . 54 PRO CB 1 1 5 2399 1 1 10 PRO CD C 3.885 3.710 -0.970 1.00 . A A . 54 PRO CD 1 1 5 2400 1 1 10 PRO CG C 4.008 2.406 -1.717 1.00 . A A . 54 PRO CG 1 1 5 2401 1 1 10 PRO HA H 2.510 4.401 -3.835 1.00 . A A . 54 PRO HA 1 1 5 2402 1 1 10 PRO HB2 H 3.006 1.737 -3.476 1.00 . A A . 54 PRO HB2 1 1 5 2403 1 1 10 PRO HB3 H 4.295 2.927 -3.756 1.00 . A A . 54 PRO HB3 1 1 5 2404 1 1 10 PRO HD2 H 3.512 3.537 0.031 1.00 . A A . 54 PRO HD2 1 1 5 2405 1 1 10 PRO HD3 H 4.835 4.221 -0.939 1.00 . A A . 54 PRO HD3 1 1 5 2406 1 1 10 PRO HG2 H 3.421 1.642 -1.226 1.00 . A A . 54 PRO HG2 1 1 5 2407 1 1 10 PRO HG3 H 5.044 2.107 -1.756 1.00 . A A . 54 PRO HG3 1 1 5 2408 1 1 10 PRO N N 2.920 4.486 -1.755 1.00 . A A . 54 PRO N 1 1 5 2409 1 1 10 PRO O O 0.517 2.535 -3.620 1.00 . A A . 54 PRO O 1 1 5 2410 1 1 11 CYS C C -1.938 4.005 -1.654 1.00 . A A . 55 CYS C 1 1 5 2411 1 1 11 CYS CA C -0.893 2.924 -1.357 1.00 . A A . 55 CYS CA 1 1 5 2412 1 1 11 CYS CB C -0.909 2.559 0.133 1.00 . A A . 55 CYS CB 1 1 5 2413 1 1 11 CYS H H 0.938 3.983 -0.943 1.00 . A A . 55 CYS H 1 1 5 2414 1 1 11 CYS HA H -1.081 2.046 -1.954 1.00 . A A . 55 CYS HA 1 1 5 2415 1 1 11 CYS HB2 H -1.057 3.454 0.718 1.00 . A A . 55 CYS HB2 1 1 5 2416 1 1 11 CYS HB3 H -1.719 1.868 0.322 1.00 . A A . 55 CYS HB3 1 1 5 2417 1 1 11 CYS N N 0.477 3.452 -1.624 1.00 . A A . 55 CYS N 1 1 5 2418 1 1 11 CYS O O -1.615 5.164 -1.821 1.00 . A A . 55 CYS O 1 1 5 2419 1 1 11 CYS SG S 0.663 1.788 0.606 1.00 . A A . 55 CYS SG 1 1 5 2420 1 1 12 GLN C C -5.386 4.530 -0.996 1.00 . A A . 56 GLN C 1 1 5 2421 1 1 12 GLN CA C -4.246 4.642 -2.011 1.00 . A A . 56 GLN CA 1 1 5 2422 1 1 12 GLN CB C -4.746 4.303 -3.414 1.00 . A A . 56 GLN CB 1 1 5 2423 1 1 12 GLN CD C -4.114 4.194 -5.828 1.00 . A A . 56 GLN CD 1 1 5 2424 1 1 12 GLN CG C -3.634 4.574 -4.426 1.00 . A A . 56 GLN CG 1 1 5 2425 1 1 12 GLN H H -3.430 2.698 -1.589 1.00 . A A . 56 GLN H 1 1 5 2426 1 1 12 GLN HA H -3.829 5.633 -2.000 1.00 . A A . 56 GLN HA 1 1 5 2427 1 1 12 GLN HB2 H -5.025 3.260 -3.454 1.00 . A A . 56 GLN HB2 1 1 5 2428 1 1 12 GLN HB3 H -5.603 4.916 -3.651 1.00 . A A . 56 GLN HB3 1 1 5 2429 1 1 12 GLN HE21 H -5.111 2.591 -5.204 1.00 . A A . 56 GLN HE21 1 1 5 2430 1 1 12 GLN HE22 H -5.175 2.884 -6.884 1.00 . A A . 56 GLN HE22 1 1 5 2431 1 1 12 GLN HG2 H -3.377 5.623 -4.404 1.00 . A A . 56 GLN HG2 1 1 5 2432 1 1 12 GLN HG3 H -2.766 3.984 -4.172 1.00 . A A . 56 GLN HG3 1 1 5 2433 1 1 12 GLN N N -3.188 3.634 -1.724 1.00 . A A . 56 GLN N 1 1 5 2434 1 1 12 GLN NE2 N -4.861 3.136 -5.985 1.00 . A A . 56 GLN NE2 1 1 5 2435 1 1 12 GLN O O -5.437 3.614 -0.200 1.00 . A A . 56 GLN O 1 1 5 2436 1 1 12 GLN OE1 O -3.806 4.867 -6.792 1.00 . A A . 56 GLN OE1 1 1 5 2437 1 1 13 ASN C C -6.930 5.373 1.377 1.00 . A A . 57 ASN C 1 1 5 2438 1 1 13 ASN CA C -7.444 5.415 -0.064 1.00 . A A . 57 ASN CA 1 1 5 2439 1 1 13 ASN CB C -8.197 4.129 -0.403 1.00 . A A . 57 ASN CB 1 1 5 2440 1 1 13 ASN CG C -8.825 4.255 -1.793 1.00 . A A . 57 ASN CG 1 1 5 2441 1 1 13 ASN H H -6.239 6.187 -1.677 1.00 . A A . 57 ASN H 1 1 5 2442 1 1 13 ASN HA H -8.089 6.266 -0.209 1.00 . A A . 57 ASN HA 1 1 5 2443 1 1 13 ASN HB2 H -7.509 3.297 -0.392 1.00 . A A . 57 ASN HB2 1 1 5 2444 1 1 13 ASN HB3 H -8.974 3.963 0.327 1.00 . A A . 57 ASN HB3 1 1 5 2445 1 1 13 ASN HD21 H -7.658 2.863 -2.600 1.00 . A A . 57 ASN HD21 1 1 5 2446 1 1 13 ASN HD22 H -8.784 3.580 -3.661 1.00 . A A . 57 ASN HD22 1 1 5 2447 1 1 13 ASN N N -6.301 5.458 -1.022 1.00 . A A . 57 ASN N 1 1 5 2448 1 1 13 ASN ND2 N -8.387 3.504 -2.764 1.00 . A A . 57 ASN ND2 1 1 5 2449 1 1 13 ASN O O -7.446 4.657 2.211 1.00 . A A . 57 ASN O 1 1 5 2450 1 1 13 ASN OD1 O -9.724 5.047 -1.995 1.00 . A A . 57 ASN OD1 1 1 5 2451 1 1 14 GLY C C -4.978 4.734 3.480 1.00 . A A . 58 GLY C 1 1 5 2452 1 1 14 GLY CA C -5.374 6.152 3.064 1.00 . A A . 58 GLY CA 1 1 5 2453 1 1 14 GLY H H -5.520 6.714 0.989 1.00 . A A . 58 GLY H 1 1 5 2454 1 1 14 GLY HA2 H -4.506 6.795 3.102 1.00 . A A . 58 GLY HA2 1 1 5 2455 1 1 14 GLY HA3 H -6.127 6.524 3.741 1.00 . A A . 58 GLY HA3 1 1 5 2456 1 1 14 GLY N N -5.919 6.141 1.676 1.00 . A A . 58 GLY N 1 1 5 2457 1 1 14 GLY O O -5.020 4.385 4.643 1.00 . A A . 58 GLY O 1 1 5 2458 1 1 15 GLY C C -2.765 2.540 3.472 1.00 . A A . 59 GLY C 1 1 5 2459 1 1 15 GLY CA C -4.183 2.522 2.897 1.00 . A A . 59 GLY CA 1 1 5 2460 1 1 15 GLY H H -4.555 4.211 1.610 1.00 . A A . 59 GLY H 1 1 5 2461 1 1 15 GLY HA2 H -4.869 2.127 3.635 1.00 . A A . 59 GLY HA2 1 1 5 2462 1 1 15 GLY HA3 H -4.204 1.901 2.012 1.00 . A A . 59 GLY HA3 1 1 5 2463 1 1 15 GLY N N -4.586 3.913 2.542 1.00 . A A . 59 GLY N 1 1 5 2464 1 1 15 GLY O O -1.995 3.444 3.216 1.00 . A A . 59 GLY O 1 1 5 2465 1 1 16 SER C C -0.032 1.011 3.816 1.00 . A A . 60 SER C 1 1 5 2466 1 1 16 SER CA C -1.046 1.522 4.843 1.00 . A A . 60 SER CA 1 1 5 2467 1 1 16 SER CB C -1.149 0.557 6.023 1.00 . A A . 60 SER CB 1 1 5 2468 1 1 16 SER H H -3.052 0.835 4.448 1.00 . A A . 60 SER H 1 1 5 2469 1 1 16 SER HA H -0.765 2.503 5.193 1.00 . A A . 60 SER HA 1 1 5 2470 1 1 16 SER HB2 H -2.185 0.352 6.234 1.00 . A A . 60 SER HB2 1 1 5 2471 1 1 16 SER HB3 H -0.643 -0.367 5.774 1.00 . A A . 60 SER HB3 1 1 5 2472 1 1 16 SER HG H 0.366 1.352 6.950 1.00 . A A . 60 SER HG 1 1 5 2473 1 1 16 SER N N -2.415 1.554 4.250 1.00 . A A . 60 SER N 1 1 5 2474 1 1 16 SER O O -0.394 0.491 2.780 1.00 . A A . 60 SER O 1 1 5 2475 1 1 16 SER OG O -0.547 1.148 7.167 1.00 . A A . 60 SER OG 1 1 5 2476 1 1 17 CYS C C 3.249 -0.271 3.843 1.00 . A A . 61 CYS C 1 1 5 2477 1 1 17 CYS CA C 2.273 0.675 3.138 1.00 . A A . 61 CYS CA 1 1 5 2478 1 1 17 CYS CB C 3.001 1.937 2.672 1.00 . A A . 61 CYS CB 1 1 5 2479 1 1 17 CYS H H 1.504 1.576 4.940 1.00 . A A . 61 CYS H 1 1 5 2480 1 1 17 CYS HA H 1.811 0.184 2.297 1.00 . A A . 61 CYS HA 1 1 5 2481 1 1 17 CYS HB2 H 2.284 2.653 2.301 1.00 . A A . 61 CYS HB2 1 1 5 2482 1 1 17 CYS HB3 H 3.542 2.366 3.502 1.00 . A A . 61 CYS HB3 1 1 5 2483 1 1 17 CYS N N 1.235 1.154 4.097 1.00 . A A . 61 CYS N 1 1 5 2484 1 1 17 CYS O O 4.028 0.141 4.681 1.00 . A A . 61 CYS O 1 1 5 2485 1 1 17 CYS SG S 4.163 1.507 1.353 1.00 . A A . 61 CYS SG 1 1 5 2486 1 1 18 LYS C C 5.447 -2.612 3.356 1.00 . A A . 62 LYS C 1 1 5 2487 1 1 18 LYS CA C 4.156 -2.493 4.165 1.00 . A A . 62 LYS CA 1 1 5 2488 1 1 18 LYS CB C 3.425 -3.833 4.181 1.00 . A A . 62 LYS CB 1 1 5 2489 1 1 18 LYS CD C 3.570 -6.211 4.921 1.00 . A A . 62 LYS CD 1 1 5 2490 1 1 18 LYS CE C 4.046 -7.075 6.092 1.00 . A A . 62 LYS CE 1 1 5 2491 1 1 18 LYS CG C 4.241 -4.840 4.991 1.00 . A A . 62 LYS CG 1 1 5 2492 1 1 18 LYS H H 2.587 -1.845 2.829 1.00 . A A . 62 LYS H 1 1 5 2493 1 1 18 LYS HA H 4.371 -2.180 5.174 1.00 . A A . 62 LYS HA 1 1 5 2494 1 1 18 LYS HB2 H 2.449 -3.709 4.629 1.00 . A A . 62 LYS HB2 1 1 5 2495 1 1 18 LYS HB3 H 3.316 -4.194 3.170 1.00 . A A . 62 LYS HB3 1 1 5 2496 1 1 18 LYS HD2 H 2.498 -6.089 4.975 1.00 . A A . 62 LYS HD2 1 1 5 2497 1 1 18 LYS HD3 H 3.831 -6.692 3.991 1.00 . A A . 62 LYS HD3 1 1 5 2498 1 1 18 LYS HE2 H 4.654 -7.893 5.730 1.00 . A A . 62 LYS HE2 1 1 5 2499 1 1 18 LYS HE3 H 4.599 -6.478 6.800 1.00 . A A . 62 LYS HE3 1 1 5 2500 1 1 18 LYS HG2 H 5.239 -4.908 4.581 1.00 . A A . 62 LYS HG2 1 1 5 2501 1 1 18 LYS HG3 H 4.293 -4.519 6.020 1.00 . A A . 62 LYS HG3 1 1 5 2502 1 1 18 LYS HZ1 H 2.110 -7.830 5.981 1.00 . A A . 62 LYS HZ1 1 1 5 2503 1 1 18 LYS HZ2 H 3.020 -8.442 7.278 1.00 . A A . 62 LYS HZ2 1 1 5 2504 1 1 18 LYS HZ3 H 2.398 -6.862 7.343 1.00 . A A . 62 LYS HZ3 1 1 5 2505 1 1 18 LYS N N 3.220 -1.532 3.509 1.00 . A A . 62 LYS N 1 1 5 2506 1 1 18 LYS NZ N 2.799 -7.591 6.721 1.00 . A A . 62 LYS NZ 1 1 5 2507 1 1 18 LYS O O 5.446 -2.502 2.145 1.00 . A A . 62 LYS O 1 1 5 2508 1 1 19 ASP C C 8.393 -4.395 3.448 1.00 . A A . 63 ASP C 1 1 5 2509 1 1 19 ASP CA C 7.842 -2.976 3.291 1.00 . A A . 63 ASP CA 1 1 5 2510 1 1 19 ASP CB C 8.773 -1.962 3.955 1.00 . A A . 63 ASP CB 1 1 5 2511 1 1 19 ASP CG C 10.143 -2.005 3.277 1.00 . A A . 63 ASP CG 1 1 5 2512 1 1 19 ASP H H 6.519 -2.937 4.992 1.00 . A A . 63 ASP H 1 1 5 2513 1 1 19 ASP HA H 7.715 -2.733 2.248 1.00 . A A . 63 ASP HA 1 1 5 2514 1 1 19 ASP HB2 H 8.353 -0.971 3.859 1.00 . A A . 63 ASP HB2 1 1 5 2515 1 1 19 ASP HB3 H 8.884 -2.206 5.002 1.00 . A A . 63 ASP HB3 1 1 5 2516 1 1 19 ASP N N 6.547 -2.845 4.017 1.00 . A A . 63 ASP N 1 1 5 2517 1 1 19 ASP O O 8.829 -4.789 4.513 1.00 . A A . 63 ASP O 1 1 5 2518 1 1 19 ASP OD1 O 10.784 -3.040 3.348 1.00 . A A . 63 ASP OD1 1 1 5 2519 1 1 19 ASP OD2 O 10.526 -1.002 2.697 1.00 . A A . 63 ASP OD2 1 1 5 2520 1 1 20 GLN C C 10.277 -6.644 1.790 1.00 . A A . 64 GLN C 1 1 5 2521 1 1 20 GLN CA C 8.913 -6.560 2.483 1.00 . A A . 64 GLN CA 1 1 5 2522 1 1 20 GLN CB C 7.892 -7.481 1.778 1.00 . A A . 64 GLN CB 1 1 5 2523 1 1 20 GLN CD C 5.667 -7.655 0.645 1.00 . A A . 64 GLN CD 1 1 5 2524 1 1 20 GLN CG C 6.688 -6.689 1.248 1.00 . A A . 64 GLN CG 1 1 5 2525 1 1 20 GLN H H 8.030 -4.822 1.547 1.00 . A A . 64 GLN H 1 1 5 2526 1 1 20 GLN HA H 9.009 -6.851 3.517 1.00 . A A . 64 GLN HA 1 1 5 2527 1 1 20 GLN HB2 H 8.378 -7.978 0.953 1.00 . A A . 64 GLN HB2 1 1 5 2528 1 1 20 GLN HB3 H 7.544 -8.223 2.481 1.00 . A A . 64 GLN HB3 1 1 5 2529 1 1 20 GLN HE21 H 4.758 -7.994 2.380 1.00 . A A . 64 GLN HE21 1 1 5 2530 1 1 20 GLN HE22 H 4.110 -8.827 1.039 1.00 . A A . 64 GLN HE22 1 1 5 2531 1 1 20 GLN HG2 H 6.231 -6.139 2.060 1.00 . A A . 64 GLN HG2 1 1 5 2532 1 1 20 GLN HG3 H 7.019 -5.997 0.487 1.00 . A A . 64 GLN HG3 1 1 5 2533 1 1 20 GLN N N 8.382 -5.163 2.396 1.00 . A A . 64 GLN N 1 1 5 2534 1 1 20 GLN NE2 N 4.772 -8.204 1.419 1.00 . A A . 64 GLN NE2 1 1 5 2535 1 1 20 GLN O O 10.796 -5.661 1.299 1.00 . A A . 64 GLN O 1 1 5 2536 1 1 20 GLN OE1 O 5.684 -7.912 -0.542 1.00 . A A . 64 GLN OE1 1 1 5 2537 1 1 21 LEU C C 12.046 -8.163 -0.404 1.00 . A A . 65 LEU C 1 1 5 2538 1 1 21 LEU CA C 12.202 -7.950 1.102 1.00 . A A . 65 LEU CA 1 1 5 2539 1 1 21 LEU CB C 12.833 -9.180 1.754 1.00 . A A . 65 LEU CB 1 1 5 2540 1 1 21 LEU CD1 C 11.996 -8.665 4.051 1.00 . A A . 65 LEU CD1 1 1 5 2541 1 1 21 LEU CD2 C 14.096 -9.984 3.752 1.00 . A A . 65 LEU CD2 1 1 5 2542 1 1 21 LEU CG C 13.246 -8.845 3.187 1.00 . A A . 65 LEU CG 1 1 5 2543 1 1 21 LEU H H 10.436 -8.589 2.162 1.00 . A A . 65 LEU H 1 1 5 2544 1 1 21 LEU HA H 12.804 -7.083 1.295 1.00 . A A . 65 LEU HA 1 1 5 2545 1 1 21 LEU HB2 H 12.115 -9.988 1.764 1.00 . A A . 65 LEU HB2 1 1 5 2546 1 1 21 LEU HB3 H 13.703 -9.480 1.191 1.00 . A A . 65 LEU HB3 1 1 5 2547 1 1 21 LEU HD11 H 11.224 -9.339 3.711 1.00 . A A . 65 LEU HD11 1 1 5 2548 1 1 21 LEU HD12 H 12.237 -8.883 5.082 1.00 . A A . 65 LEU HD12 1 1 5 2549 1 1 21 LEU HD13 H 11.645 -7.647 3.971 1.00 . A A . 65 LEU HD13 1 1 5 2550 1 1 21 LEU HD21 H 13.556 -10.915 3.663 1.00 . A A . 65 LEU HD21 1 1 5 2551 1 1 21 LEU HD22 H 15.022 -10.051 3.200 1.00 . A A . 65 LEU HD22 1 1 5 2552 1 1 21 LEU HD23 H 14.311 -9.791 4.793 1.00 . A A . 65 LEU HD23 1 1 5 2553 1 1 21 LEU HG H 13.819 -7.929 3.191 1.00 . A A . 65 LEU HG 1 1 5 2554 1 1 21 LEU N N 10.866 -7.809 1.754 1.00 . A A . 65 LEU N 1 1 5 2555 1 1 21 LEU O O 12.981 -8.015 -1.164 1.00 . A A . 65 LEU O 1 1 5 2556 1 1 22 GLN C C 9.947 -7.509 -2.904 1.00 . A A . 66 GLN C 1 1 5 2557 1 1 22 GLN CA C 10.644 -8.727 -2.293 1.00 . A A . 66 GLN CA 1 1 5 2558 1 1 22 GLN CB C 9.742 -9.959 -2.372 1.00 . A A . 66 GLN CB 1 1 5 2559 1 1 22 GLN CD C 8.555 -10.593 -0.267 1.00 . A A . 66 GLN CD 1 1 5 2560 1 1 22 GLN CG C 8.487 -9.729 -1.527 1.00 . A A . 66 GLN CG 1 1 5 2561 1 1 22 GLN H H 10.135 -8.615 -0.201 1.00 . A A . 66 GLN H 1 1 5 2562 1 1 22 GLN HA H 11.579 -8.920 -2.796 1.00 . A A . 66 GLN HA 1 1 5 2563 1 1 22 GLN HB2 H 9.459 -10.133 -3.400 1.00 . A A . 66 GLN HB2 1 1 5 2564 1 1 22 GLN HB3 H 10.274 -10.819 -1.995 1.00 . A A . 66 GLN HB3 1 1 5 2565 1 1 22 GLN HE21 H 8.988 -12.257 -1.259 1.00 . A A . 66 GLN HE21 1 1 5 2566 1 1 22 GLN HE22 H 8.873 -12.426 0.426 1.00 . A A . 66 GLN HE22 1 1 5 2567 1 1 22 GLN HG2 H 8.429 -8.687 -1.248 1.00 . A A . 66 GLN HG2 1 1 5 2568 1 1 22 GLN HG3 H 7.613 -9.999 -2.101 1.00 . A A . 66 GLN HG3 1 1 5 2569 1 1 22 GLN N N 10.871 -8.506 -0.836 1.00 . A A . 66 GLN N 1 1 5 2570 1 1 22 GLN NE2 N 8.827 -11.864 -0.376 1.00 . A A . 66 GLN NE2 1 1 5 2571 1 1 22 GLN O O 10.026 -7.263 -4.090 1.00 . A A . 66 GLN O 1 1 5 2572 1 1 22 GLN OE1 O 8.356 -10.106 0.829 1.00 . A A . 66 GLN OE1 1 1 5 2573 1 1 23 SER C C 7.823 -4.851 -1.453 1.00 . A A . 67 SER C 1 1 5 2574 1 1 23 SER CA C 8.558 -5.542 -2.609 1.00 . A A . 67 SER CA 1 1 5 2575 1 1 23 SER CB C 7.575 -6.078 -3.651 1.00 . A A . 67 SER CB 1 1 5 2576 1 1 23 SER H H 9.220 -6.969 -1.140 1.00 . A A . 67 SER H 1 1 5 2577 1 1 23 SER HA H 9.257 -4.863 -3.072 1.00 . A A . 67 SER HA 1 1 5 2578 1 1 23 SER HB2 H 6.934 -5.280 -3.987 1.00 . A A . 67 SER HB2 1 1 5 2579 1 1 23 SER HB3 H 8.126 -6.472 -4.495 1.00 . A A . 67 SER HB3 1 1 5 2580 1 1 23 SER HG H 6.703 -6.916 -2.127 1.00 . A A . 67 SER HG 1 1 5 2581 1 1 23 SER N N 9.266 -6.748 -2.095 1.00 . A A . 67 SER N 1 1 5 2582 1 1 23 SER O O 8.422 -4.500 -0.459 1.00 . A A . 67 SER O 1 1 5 2583 1 1 23 SER OG O 6.781 -7.101 -3.066 1.00 . A A . 67 SER OG 1 1 5 2584 1 1 24 TYR C C 4.289 -4.307 -0.588 1.00 . A A . 68 TYR C 1 1 5 2585 1 1 24 TYR CA C 5.783 -4.001 -0.456 1.00 . A A . 68 TYR CA 1 1 5 2586 1 1 24 TYR CB C 6.052 -2.506 -0.618 1.00 . A A . 68 TYR CB 1 1 5 2587 1 1 24 TYR CD1 C 6.594 -2.316 -3.073 1.00 . A A . 68 TYR CD1 1 1 5 2588 1 1 24 TYR CD2 C 4.481 -1.435 -2.271 1.00 . A A . 68 TYR CD2 1 1 5 2589 1 1 24 TYR CE1 C 6.266 -1.915 -4.374 1.00 . A A . 68 TYR CE1 1 1 5 2590 1 1 24 TYR CE2 C 4.155 -1.034 -3.572 1.00 . A A . 68 TYR CE2 1 1 5 2591 1 1 24 TYR CG C 5.700 -2.075 -2.022 1.00 . A A . 68 TYR CG 1 1 5 2592 1 1 24 TYR CZ C 5.047 -1.274 -4.623 1.00 . A A . 68 TYR CZ 1 1 5 2593 1 1 24 TYR H H 6.059 -4.949 -2.368 1.00 . A A . 68 TYR H 1 1 5 2594 1 1 24 TYR HA H 6.153 -4.340 0.499 1.00 . A A . 68 TYR HA 1 1 5 2595 1 1 24 TYR HB2 H 5.451 -1.953 0.090 1.00 . A A . 68 TYR HB2 1 1 5 2596 1 1 24 TYR HB3 H 7.101 -2.310 -0.433 1.00 . A A . 68 TYR HB3 1 1 5 2597 1 1 24 TYR HD1 H 7.534 -2.809 -2.879 1.00 . A A . 68 TYR HD1 1 1 5 2598 1 1 24 TYR HD2 H 3.793 -1.250 -1.460 1.00 . A A . 68 TYR HD2 1 1 5 2599 1 1 24 TYR HE1 H 6.955 -2.100 -5.184 1.00 . A A . 68 TYR HE1 1 1 5 2600 1 1 24 TYR HE2 H 3.214 -0.539 -3.763 1.00 . A A . 68 TYR HE2 1 1 5 2601 1 1 24 TYR HH H 4.211 -0.070 -5.846 1.00 . A A . 68 TYR HH 1 1 5 2602 1 1 24 TYR N N 6.534 -4.658 -1.564 1.00 . A A . 68 TYR N 1 1 5 2603 1 1 24 TYR O O 3.782 -4.507 -1.674 1.00 . A A . 68 TYR O 1 1 5 2604 1 1 24 TYR OH O 4.725 -0.878 -5.905 1.00 . A A . 68 TYR OH 1 1 5 2605 1 1 25 ILE C C 1.326 -3.646 1.274 1.00 . A A . 69 ILE C 1 1 5 2606 1 1 25 ILE CA C 2.121 -4.655 0.432 1.00 . A A . 69 ILE CA 1 1 5 2607 1 1 25 ILE CB C 1.993 -6.096 0.964 1.00 . A A . 69 ILE CB 1 1 5 2608 1 1 25 ILE CD1 C 1.277 -8.374 0.241 1.00 . A A . 69 ILE CD1 1 1 5 2609 1 1 25 ILE CG1 C 1.025 -6.875 0.074 1.00 . A A . 69 ILE CG1 1 1 5 2610 1 1 25 ILE CG2 C 1.478 -6.116 2.408 1.00 . A A . 69 ILE CG2 1 1 5 2611 1 1 25 ILE H H 4.007 -4.192 1.377 1.00 . A A . 69 ILE H 1 1 5 2612 1 1 25 ILE HA H 1.791 -4.617 -0.595 1.00 . A A . 69 ILE HA 1 1 5 2613 1 1 25 ILE HB H 2.963 -6.570 0.929 1.00 . A A . 69 ILE HB 1 1 5 2614 1 1 25 ILE HD11 H 2.248 -8.527 0.689 1.00 . A A . 69 ILE HD11 1 1 5 2615 1 1 25 ILE HD12 H 0.514 -8.799 0.876 1.00 . A A . 69 ILE HD12 1 1 5 2616 1 1 25 ILE HD13 H 1.248 -8.854 -0.727 1.00 . A A . 69 ILE HD13 1 1 5 2617 1 1 25 ILE HG12 H 0.009 -6.645 0.360 1.00 . A A . 69 ILE HG12 1 1 5 2618 1 1 25 ILE HG13 H 1.181 -6.597 -0.957 1.00 . A A . 69 ILE HG13 1 1 5 2619 1 1 25 ILE HG21 H 0.584 -5.515 2.480 1.00 . A A . 69 ILE HG21 1 1 5 2620 1 1 25 ILE HG22 H 1.253 -7.132 2.696 1.00 . A A . 69 ILE HG22 1 1 5 2621 1 1 25 ILE HG23 H 2.235 -5.715 3.065 1.00 . A A . 69 ILE HG23 1 1 5 2622 1 1 25 ILE N N 3.580 -4.353 0.508 1.00 . A A . 69 ILE N 1 1 5 2623 1 1 25 ILE O O 1.473 -3.568 2.477 1.00 . A A . 69 ILE O 1 1 5 2624 1 1 26 CYS C C -1.496 -2.519 2.100 1.00 . A A . 70 CYS C 1 1 5 2625 1 1 26 CYS CA C -0.297 -1.862 1.416 1.00 . A A . 70 CYS CA 1 1 5 2626 1 1 26 CYS CB C -0.771 -0.854 0.375 1.00 . A A . 70 CYS CB 1 1 5 2627 1 1 26 CYS H H 0.386 -2.932 -0.322 1.00 . A A . 70 CYS H 1 1 5 2628 1 1 26 CYS HA H 0.328 -1.369 2.140 1.00 . A A . 70 CYS HA 1 1 5 2629 1 1 26 CYS HB2 H -1.307 -1.371 -0.404 1.00 . A A . 70 CYS HB2 1 1 5 2630 1 1 26 CYS HB3 H -1.423 -0.135 0.847 1.00 . A A . 70 CYS HB3 1 1 5 2631 1 1 26 CYS N N 0.490 -2.865 0.649 1.00 . A A . 70 CYS N 1 1 5 2632 1 1 26 CYS O O -2.157 -3.370 1.539 1.00 . A A . 70 CYS O 1 1 5 2633 1 1 26 CYS SG S 0.653 0.002 -0.336 1.00 . A A . 70 CYS SG 1 1 5 2634 1 1 27 PHE C C -4.113 -1.715 4.025 1.00 . A A . 71 PHE C 1 1 5 2635 1 1 27 PHE CA C -2.950 -2.709 4.031 1.00 . A A . 71 PHE CA 1 1 5 2636 1 1 27 PHE CB C -2.455 -2.949 5.457 1.00 . A A . 71 PHE CB 1 1 5 2637 1 1 27 PHE CD1 C -2.216 -5.399 4.911 1.00 . A A . 71 PHE CD1 1 1 5 2638 1 1 27 PHE CD2 C -0.448 -4.304 6.159 1.00 . A A . 71 PHE CD2 1 1 5 2639 1 1 27 PHE CE1 C -1.505 -6.604 4.961 1.00 . A A . 71 PHE CE1 1 1 5 2640 1 1 27 PHE CE2 C 0.263 -5.509 6.209 1.00 . A A . 71 PHE CE2 1 1 5 2641 1 1 27 PHE CG C -1.688 -4.249 5.510 1.00 . A A . 71 PHE CG 1 1 5 2642 1 1 27 PHE CZ C -0.265 -6.658 5.610 1.00 . A A . 71 PHE CZ 1 1 5 2643 1 1 27 PHE H H -1.243 -1.426 3.738 1.00 . A A . 71 PHE H 1 1 5 2644 1 1 27 PHE HA H -3.244 -3.642 3.577 1.00 . A A . 71 PHE HA 1 1 5 2645 1 1 27 PHE HB2 H -1.808 -2.136 5.756 1.00 . A A . 71 PHE HB2 1 1 5 2646 1 1 27 PHE HB3 H -3.301 -3.003 6.126 1.00 . A A . 71 PHE HB3 1 1 5 2647 1 1 27 PHE HD1 H -3.172 -5.357 4.411 1.00 . A A . 71 PHE HD1 1 1 5 2648 1 1 27 PHE HD2 H -0.041 -3.417 6.621 1.00 . A A . 71 PHE HD2 1 1 5 2649 1 1 27 PHE HE1 H -1.913 -7.490 4.499 1.00 . A A . 71 PHE HE1 1 1 5 2650 1 1 27 PHE HE2 H 1.219 -5.551 6.709 1.00 . A A . 71 PHE HE2 1 1 5 2651 1 1 27 PHE HZ H 0.283 -7.588 5.648 1.00 . A A . 71 PHE HZ 1 1 5 2652 1 1 27 PHE N N -1.786 -2.121 3.309 1.00 . A A . 71 PHE N 1 1 5 2653 1 1 27 PHE O O -4.296 -0.951 4.952 1.00 . A A . 71 PHE O 1 1 5 2654 1 1 28 CYS C C -6.994 -0.995 4.089 1.00 . A A . 72 CYS C 1 1 5 2655 1 1 28 CYS CA C -6.045 -0.767 2.911 1.00 . A A . 72 CYS CA 1 1 5 2656 1 1 28 CYS CB C -6.747 -1.086 1.590 1.00 . A A . 72 CYS CB 1 1 5 2657 1 1 28 CYS H H -4.727 -2.339 2.247 1.00 . A A . 72 CYS H 1 1 5 2658 1 1 28 CYS HA H -5.691 0.251 2.903 1.00 . A A . 72 CYS HA 1 1 5 2659 1 1 28 CYS HB2 H -7.217 -2.055 1.659 1.00 . A A . 72 CYS HB2 1 1 5 2660 1 1 28 CYS HB3 H -7.498 -0.333 1.391 1.00 . A A . 72 CYS HB3 1 1 5 2661 1 1 28 CYS N N -4.896 -1.717 2.983 1.00 . A A . 72 CYS N 1 1 5 2662 1 1 28 CYS O O -6.793 -1.876 4.901 1.00 . A A . 72 CYS O 1 1 5 2663 1 1 28 CYS SG S -5.538 -1.101 0.241 1.00 . A A . 72 CYS SG 1 1 5 2664 1 1 29 LEU C C -10.191 -1.211 4.849 1.00 . A A . 73 LEU C 1 1 5 2665 1 1 29 LEU CA C -8.993 -0.378 5.314 1.00 . A A . 73 LEU CA 1 1 5 2666 1 1 29 LEU CB C -9.434 1.042 5.681 1.00 . A A . 73 LEU CB 1 1 5 2667 1 1 29 LEU CD1 C -8.688 3.420 5.896 1.00 . A A . 73 LEU CD1 1 1 5 2668 1 1 29 LEU CD2 C -7.270 1.577 6.811 1.00 . A A . 73 LEU CD2 1 1 5 2669 1 1 29 LEU CG C -8.222 1.977 5.681 1.00 . A A . 73 LEU CG 1 1 5 2670 1 1 29 LEU H H -8.175 0.498 3.522 1.00 . A A . 73 LEU H 1 1 5 2671 1 1 29 LEU HA H -8.510 -0.846 6.157 1.00 . A A . 73 LEU HA 1 1 5 2672 1 1 29 LEU HB2 H -10.159 1.390 4.960 1.00 . A A . 73 LEU HB2 1 1 5 2673 1 1 29 LEU HB3 H -9.881 1.035 6.664 1.00 . A A . 73 LEU HB3 1 1 5 2674 1 1 29 LEU HD11 H -9.211 3.493 6.839 1.00 . A A . 73 LEU HD11 1 1 5 2675 1 1 29 LEU HD12 H -7.830 4.076 5.909 1.00 . A A . 73 LEU HD12 1 1 5 2676 1 1 29 LEU HD13 H -9.350 3.709 5.094 1.00 . A A . 73 LEU HD13 1 1 5 2677 1 1 29 LEU HD21 H -7.148 0.503 6.817 1.00 . A A . 73 LEU HD21 1 1 5 2678 1 1 29 LEU HD22 H -6.309 2.047 6.656 1.00 . A A . 73 LEU HD22 1 1 5 2679 1 1 29 LEU HD23 H -7.679 1.897 7.758 1.00 . A A . 73 LEU HD23 1 1 5 2680 1 1 29 LEU HG H -7.711 1.901 4.732 1.00 . A A . 73 LEU HG 1 1 5 2681 1 1 29 LEU N N -8.029 -0.207 4.188 1.00 . A A . 73 LEU N 1 1 5 2682 1 1 29 LEU O O -10.232 -1.661 3.721 1.00 . A A . 73 LEU O 1 1 5 2683 1 1 30 PRO C C -13.140 -1.489 4.297 1.00 . A A . 74 PRO C 1 1 5 2684 1 1 30 PRO CA C -12.345 -2.177 5.411 1.00 . A A . 74 PRO CA 1 1 5 2685 1 1 30 PRO CB C -13.145 -2.195 6.716 1.00 . A A . 74 PRO CB 1 1 5 2686 1 1 30 PRO CD C -11.155 -0.881 7.109 1.00 . A A . 74 PRO CD 1 1 5 2687 1 1 30 PRO CG C -12.199 -1.729 7.781 1.00 . A A . 74 PRO CG 1 1 5 2688 1 1 30 PRO HA H -12.080 -3.180 5.125 1.00 . A A . 74 PRO HA 1 1 5 2689 1 1 30 PRO HB2 H -13.990 -1.522 6.645 1.00 . A A . 74 PRO HB2 1 1 5 2690 1 1 30 PRO HB3 H -13.481 -3.198 6.936 1.00 . A A . 74 PRO HB3 1 1 5 2691 1 1 30 PRO HD2 H -11.446 0.160 7.129 1.00 . A A . 74 PRO HD2 1 1 5 2692 1 1 30 PRO HD3 H -10.193 -1.020 7.575 1.00 . A A . 74 PRO HD3 1 1 5 2693 1 1 30 PRO HG2 H -12.733 -1.145 8.517 1.00 . A A . 74 PRO HG2 1 1 5 2694 1 1 30 PRO HG3 H -11.729 -2.578 8.253 1.00 . A A . 74 PRO HG3 1 1 5 2695 1 1 30 PRO N N -11.131 -1.388 5.737 1.00 . A A . 74 PRO N 1 1 5 2696 1 1 30 PRO O O -14.068 -2.046 3.748 1.00 . A A . 74 PRO O 1 1 5 2697 1 1 31 ALA C C -12.974 0.035 1.508 1.00 . A A . 75 ALA C 1 1 5 2698 1 1 31 ALA CA C -13.508 0.447 2.884 1.00 . A A . 75 ALA CA 1 1 5 2699 1 1 31 ALA CB C -13.224 1.926 3.147 1.00 . A A . 75 ALA CB 1 1 5 2700 1 1 31 ALA H H -12.028 0.148 4.419 1.00 . A A . 75 ALA H 1 1 5 2701 1 1 31 ALA HA H -14.567 0.257 2.949 1.00 . A A . 75 ALA HA 1 1 5 2702 1 1 31 ALA HB1 H -12.200 2.043 3.467 1.00 . A A . 75 ALA HB1 1 1 5 2703 1 1 31 ALA HB2 H -13.385 2.489 2.239 1.00 . A A . 75 ALA HB2 1 1 5 2704 1 1 31 ALA HB3 H -13.888 2.288 3.918 1.00 . A A . 75 ALA HB3 1 1 5 2705 1 1 31 ALA N N -12.779 -0.282 3.961 1.00 . A A . 75 ALA N 1 1 5 2706 1 1 31 ALA O O -13.657 0.141 0.510 1.00 . A A . 75 ALA O 1 1 5 2707 1 1 32 PHE C C -10.644 -2.275 0.226 1.00 . A A . 76 PHE C 1 1 5 2708 1 1 32 PHE CA C -11.181 -0.843 0.137 1.00 . A A . 76 PHE CA 1 1 5 2709 1 1 32 PHE CB C -10.038 0.140 -0.133 1.00 . A A . 76 PHE CB 1 1 5 2710 1 1 32 PHE CD1 C -10.468 1.929 1.591 1.00 . A A . 76 PHE CD1 1 1 5 2711 1 1 32 PHE CD2 C -10.859 2.446 -0.746 1.00 . A A . 76 PHE CD2 1 1 5 2712 1 1 32 PHE CE1 C -10.864 3.224 1.945 1.00 . A A . 76 PHE CE1 1 1 5 2713 1 1 32 PHE CE2 C -11.255 3.742 -0.391 1.00 . A A . 76 PHE CE2 1 1 5 2714 1 1 32 PHE CG C -10.466 1.539 0.246 1.00 . A A . 76 PHE CG 1 1 5 2715 1 1 32 PHE CZ C -11.258 4.131 0.953 1.00 . A A . 76 PHE CZ 1 1 5 2716 1 1 32 PHE H H -11.221 -0.506 2.262 1.00 . A A . 76 PHE H 1 1 5 2717 1 1 32 PHE HA H -11.924 -0.767 -0.637 1.00 . A A . 76 PHE HA 1 1 5 2718 1 1 32 PHE HB2 H -9.175 -0.143 0.454 1.00 . A A . 76 PHE HB2 1 1 5 2719 1 1 32 PHE HB3 H -9.784 0.116 -1.184 1.00 . A A . 76 PHE HB3 1 1 5 2720 1 1 32 PHE HD1 H -10.163 1.230 2.357 1.00 . A A . 76 PHE HD1 1 1 5 2721 1 1 32 PHE HD2 H -10.858 2.145 -1.782 1.00 . A A . 76 PHE HD2 1 1 5 2722 1 1 32 PHE HE1 H -10.865 3.524 2.982 1.00 . A A . 76 PHE HE1 1 1 5 2723 1 1 32 PHE HE2 H -11.559 4.441 -1.157 1.00 . A A . 76 PHE HE2 1 1 5 2724 1 1 32 PHE HZ H -11.562 5.130 1.225 1.00 . A A . 76 PHE HZ 1 1 5 2725 1 1 32 PHE N N -11.756 -0.431 1.448 1.00 . A A . 76 PHE N 1 1 5 2726 1 1 32 PHE O O -10.810 -2.948 1.225 1.00 . A A . 76 PHE O 1 1 5 2727 1 1 33 GLU C C -8.487 -4.354 -1.937 1.00 . A A . 77 GLU C 1 1 5 2728 1 1 33 GLU CA C -9.455 -4.135 -0.772 1.00 . A A . 77 GLU CA 1 1 5 2729 1 1 33 GLU CB C -10.677 -5.045 -0.909 1.00 . A A . 77 GLU CB 1 1 5 2730 1 1 33 GLU CD C -11.501 -5.613 -3.198 1.00 . A A . 77 GLU CD 1 1 5 2731 1 1 33 GLU CG C -11.541 -4.571 -2.079 1.00 . A A . 77 GLU CG 1 1 5 2732 1 1 33 GLU H H -9.875 -2.190 -1.605 1.00 . A A . 77 GLU H 1 1 5 2733 1 1 33 GLU HA H -8.961 -4.321 0.169 1.00 . A A . 77 GLU HA 1 1 5 2734 1 1 33 GLU HB2 H -10.351 -6.059 -1.089 1.00 . A A . 77 GLU HB2 1 1 5 2735 1 1 33 GLU HB3 H -11.256 -5.009 0.001 1.00 . A A . 77 GLU HB3 1 1 5 2736 1 1 33 GLU HG2 H -12.560 -4.441 -1.743 1.00 . A A . 77 GLU HG2 1 1 5 2737 1 1 33 GLU HG3 H -11.162 -3.632 -2.451 1.00 . A A . 77 GLU HG3 1 1 5 2738 1 1 33 GLU N N -10.001 -2.747 -0.807 1.00 . A A . 77 GLU N 1 1 5 2739 1 1 33 GLU O O -8.873 -4.349 -3.089 1.00 . A A . 77 GLU O 1 1 5 2740 1 1 33 GLU OE1 O -10.412 -6.047 -3.537 1.00 . A A . 77 GLU OE1 1 1 5 2741 1 1 33 GLU OE2 O -12.559 -5.959 -3.697 1.00 . A A . 77 GLU OE2 1 1 5 2742 1 1 34 GLY C C -4.854 -4.311 -2.271 1.00 . A A . 78 GLY C 1 1 5 2743 1 1 34 GLY CA C -6.238 -4.768 -2.736 1.00 . A A . 78 GLY CA 1 1 5 2744 1 1 34 GLY H H -6.937 -4.549 -0.710 1.00 . A A . 78 GLY H 1 1 5 2745 1 1 34 GLY HA2 H -6.205 -5.819 -2.987 1.00 . A A . 78 GLY HA2 1 1 5 2746 1 1 34 GLY HA3 H -6.527 -4.200 -3.607 1.00 . A A . 78 GLY HA3 1 1 5 2747 1 1 34 GLY N N -7.229 -4.548 -1.646 1.00 . A A . 78 GLY N 1 1 5 2748 1 1 34 GLY O O -4.721 -3.598 -1.296 1.00 . A A . 78 GLY O 1 1 5 2749 1 1 35 ARG C C -2.273 -2.792 -2.733 1.00 . A A . 79 ARG C 1 1 5 2750 1 1 35 ARG CA C -2.447 -4.303 -2.556 1.00 . A A . 79 ARG CA 1 1 5 2751 1 1 35 ARG CB C -1.514 -5.064 -3.499 1.00 . A A . 79 ARG CB 1 1 5 2752 1 1 35 ARG CD C 0.572 -4.107 -4.489 1.00 . A A . 79 ARG CD 1 1 5 2753 1 1 35 ARG CG C -0.065 -4.667 -3.215 1.00 . A A . 79 ARG CG 1 1 5 2754 1 1 35 ARG CZ C 0.244 -4.762 -6.796 1.00 . A A . 79 ARG CZ 1 1 5 2755 1 1 35 ARG H H -3.952 -5.290 -3.743 1.00 . A A . 79 ARG H 1 1 5 2756 1 1 35 ARG HA H -2.252 -4.589 -1.535 1.00 . A A . 79 ARG HA 1 1 5 2757 1 1 35 ARG HB2 H -1.635 -6.127 -3.344 1.00 . A A . 79 ARG HB2 1 1 5 2758 1 1 35 ARG HB3 H -1.758 -4.819 -4.522 1.00 . A A . 79 ARG HB3 1 1 5 2759 1 1 35 ARG HD2 H 0.127 -3.154 -4.742 1.00 . A A . 79 ARG HD2 1 1 5 2760 1 1 35 ARG HD3 H 1.639 -4.006 -4.363 1.00 . A A . 79 ARG HD3 1 1 5 2761 1 1 35 ARG HE H 0.104 -6.049 -5.292 1.00 . A A . 79 ARG HE 1 1 5 2762 1 1 35 ARG HG2 H -0.044 -3.915 -2.440 1.00 . A A . 79 ARG HG2 1 1 5 2763 1 1 35 ARG HG3 H 0.489 -5.535 -2.889 1.00 . A A . 79 ARG HG3 1 1 5 2764 1 1 35 ARG HH11 H 2.062 -3.923 -6.762 1.00 . A A . 79 ARG HH11 1 1 5 2765 1 1 35 ARG HH12 H 1.236 -3.860 -8.284 1.00 . A A . 79 ARG HH12 1 1 5 2766 1 1 35 ARG HH21 H -1.581 -5.517 -7.124 1.00 . A A . 79 ARG HH21 1 1 5 2767 1 1 35 ARG HH22 H -0.827 -4.762 -8.488 1.00 . A A . 79 ARG HH22 1 1 5 2768 1 1 35 ARG N N -3.823 -4.715 -2.960 1.00 . A A . 79 ARG N 1 1 5 2769 1 1 35 ARG NE N 0.275 -5.118 -5.542 1.00 . A A . 79 ARG NE 1 1 5 2770 1 1 35 ARG NH1 N 1.260 -4.133 -7.322 1.00 . A A . 79 ARG NH1 1 1 5 2771 1 1 35 ARG NH2 N -0.803 -5.035 -7.526 1.00 . A A . 79 ARG NH2 1 1 5 2772 1 1 35 ARG O O -1.282 -2.219 -2.328 1.00 . A A . 79 ARG O 1 1 5 2773 1 1 36 ASN C C -4.474 0.002 -3.302 1.00 . A A . 80 ASN C 1 1 5 2774 1 1 36 ASN CA C -3.119 -0.669 -3.541 1.00 . A A . 80 ASN CA 1 1 5 2775 1 1 36 ASN CB C -2.693 -0.505 -4.999 1.00 . A A . 80 ASN CB 1 1 5 2776 1 1 36 ASN CG C -1.390 -1.269 -5.239 1.00 . A A . 80 ASN CG 1 1 5 2777 1 1 36 ASN H H -4.022 -2.623 -3.657 1.00 . A A . 80 ASN H 1 1 5 2778 1 1 36 ASN HA H -2.370 -0.253 -2.888 1.00 . A A . 80 ASN HA 1 1 5 2779 1 1 36 ASN HB2 H -3.467 -0.897 -5.645 1.00 . A A . 80 ASN HB2 1 1 5 2780 1 1 36 ASN HB3 H -2.540 0.541 -5.215 1.00 . A A . 80 ASN HB3 1 1 5 2781 1 1 36 ASN HD21 H -0.300 -0.032 -4.128 1.00 . A A . 80 ASN HD21 1 1 5 2782 1 1 36 ASN HD22 H 0.557 -1.325 -4.840 1.00 . A A . 80 ASN HD22 1 1 5 2783 1 1 36 ASN N N -3.231 -2.142 -3.336 1.00 . A A . 80 ASN N 1 1 5 2784 1 1 36 ASN ND2 N -0.286 -0.840 -4.690 1.00 . A A . 80 ASN ND2 1 1 5 2785 1 1 36 ASN O O -4.730 1.089 -3.779 1.00 . A A . 80 ASN O 1 1 5 2786 1 1 36 ASN OD1 O -1.375 -2.266 -5.934 1.00 . A A . 80 ASN OD1 1 1 5 2787 1 1 37 CYS C C -7.355 0.332 -3.639 1.00 . A A . 81 CYS C 1 1 5 2788 1 1 37 CYS CA C -6.685 -0.036 -2.313 1.00 . A A . 81 CYS CA 1 1 5 2789 1 1 37 CYS CB C -6.409 1.223 -1.489 1.00 . A A . 81 CYS CB 1 1 5 2790 1 1 37 CYS H H -5.122 -1.519 -2.201 1.00 . A A . 81 CYS H 1 1 5 2791 1 1 37 CYS HA H -7.304 -0.718 -1.752 1.00 . A A . 81 CYS HA 1 1 5 2792 1 1 37 CYS HB2 H -6.002 1.990 -2.130 1.00 . A A . 81 CYS HB2 1 1 5 2793 1 1 37 CYS HB3 H -7.334 1.573 -1.053 1.00 . A A . 81 CYS HB3 1 1 5 2794 1 1 37 CYS N N -5.346 -0.639 -2.572 1.00 . A A . 81 CYS N 1 1 5 2795 1 1 37 CYS O O -8.271 1.130 -3.685 1.00 . A A . 81 CYS O 1 1 5 2796 1 1 37 CYS SG S -5.227 0.851 -0.169 1.00 . A A . 81 CYS SG 1 1 5 2797 1 1 38 GLU C C -8.988 -0.302 -6.058 1.00 . A A . 82 GLU C 1 1 5 2798 1 1 38 GLU CA C -7.502 0.072 -6.046 1.00 . A A . 82 GLU CA 1 1 5 2799 1 1 38 GLU CB C -6.706 -0.780 -7.042 1.00 . A A . 82 GLU CB 1 1 5 2800 1 1 38 GLU CD C -7.980 -2.471 -8.371 1.00 . A A . 82 GLU CD 1 1 5 2801 1 1 38 GLU CG C -7.527 -1.011 -8.314 1.00 . A A . 82 GLU CG 1 1 5 2802 1 1 38 GLU H H -6.159 -0.880 -4.658 1.00 . A A . 82 GLU H 1 1 5 2803 1 1 38 GLU HA H -7.376 1.118 -6.276 1.00 . A A . 82 GLU HA 1 1 5 2804 1 1 38 GLU HB2 H -5.788 -0.267 -7.298 1.00 . A A . 82 GLU HB2 1 1 5 2805 1 1 38 GLU HB3 H -6.470 -1.733 -6.589 1.00 . A A . 82 GLU HB3 1 1 5 2806 1 1 38 GLU HG2 H -8.393 -0.365 -8.306 1.00 . A A . 82 GLU HG2 1 1 5 2807 1 1 38 GLU HG3 H -6.921 -0.790 -9.179 1.00 . A A . 82 GLU HG3 1 1 5 2808 1 1 38 GLU N N -6.900 -0.242 -4.719 1.00 . A A . 82 GLU N 1 1 5 2809 1 1 38 GLU O O -9.802 0.376 -6.652 1.00 . A A . 82 GLU O 1 1 5 2810 1 1 38 GLU OE1 O -7.822 -3.158 -7.375 1.00 . A A . 82 GLU OE1 1 1 5 2811 1 1 38 GLU OE2 O -8.476 -2.877 -9.408 1.00 . A A . 82 GLU OE2 1 1 5 2812 1 1 39 THR C C -11.513 -1.103 -4.230 1.00 . A A . 83 THR C 1 1 5 2813 1 1 39 THR CA C -10.782 -1.784 -5.390 1.00 . A A . 83 THR CA 1 1 5 2814 1 1 39 THR CB C -10.760 -3.300 -5.196 1.00 . A A . 83 THR CB 1 1 5 2815 1 1 39 THR CG2 C -12.153 -3.871 -5.462 1.00 . A A . 83 THR CG2 1 1 5 2816 1 1 39 THR H H -8.679 -1.910 -4.935 1.00 . A A . 83 THR H 1 1 5 2817 1 1 39 THR HA H -11.256 -1.540 -6.329 1.00 . A A . 83 THR HA 1 1 5 2818 1 1 39 THR HB H -10.469 -3.530 -4.183 1.00 . A A . 83 THR HB 1 1 5 2819 1 1 39 THR HG1 H -10.174 -4.729 -6.379 1.00 . A A . 83 THR HG1 1 1 5 2820 1 1 39 THR HG21 H -12.717 -3.178 -6.069 1.00 . A A . 83 THR HG21 1 1 5 2821 1 1 39 THR HG22 H -12.063 -4.813 -5.982 1.00 . A A . 83 THR HG22 1 1 5 2822 1 1 39 THR HG23 H -12.665 -4.025 -4.523 1.00 . A A . 83 THR HG23 1 1 5 2823 1 1 39 THR N N -9.349 -1.374 -5.409 1.00 . A A . 83 THR N 1 1 5 2824 1 1 39 THR O O -11.853 -1.728 -3.246 1.00 . A A . 83 THR O 1 1 5 2825 1 1 39 THR OG1 O -9.828 -3.878 -6.100 1.00 . A A . 83 THR OG1 1 1 5 2826 1 1 40 HIS C C -13.923 0.439 -3.168 1.00 . A A . 84 HIS C 1 1 5 2827 1 1 40 HIS CA C -12.464 0.895 -3.243 1.00 . A A . 84 HIS CA 1 1 5 2828 1 1 40 HIS CB C -12.384 2.374 -3.623 1.00 . A A . 84 HIS CB 1 1 5 2829 1 1 40 HIS CD2 C -13.741 2.957 -1.449 1.00 . A A . 84 HIS CD2 1 1 5 2830 1 1 40 HIS CE1 C -14.613 4.826 -2.114 1.00 . A A . 84 HIS CE1 1 1 5 2831 1 1 40 HIS CG C -13.293 3.172 -2.729 1.00 . A A . 84 HIS CG 1 1 5 2832 1 1 40 HIS H H -11.474 0.661 -5.142 1.00 . A A . 84 HIS H 1 1 5 2833 1 1 40 HIS HA H -11.968 0.729 -2.300 1.00 . A A . 84 HIS HA 1 1 5 2834 1 1 40 HIS HB2 H -11.367 2.721 -3.506 1.00 . A A . 84 HIS HB2 1 1 5 2835 1 1 40 HIS HB3 H -12.690 2.499 -4.651 1.00 . A A . 84 HIS HB3 1 1 5 2836 1 1 40 HIS HD1 H -13.739 4.804 -4.003 1.00 . A A . 84 HIS HD1 1 1 5 2837 1 1 40 HIS HD2 H -13.486 2.106 -0.835 1.00 . A A . 84 HIS HD2 1 1 5 2838 1 1 40 HIS HE1 H -15.178 5.746 -2.143 1.00 . A A . 84 HIS HE1 1 1 5 2839 1 1 40 HIS N N -11.756 0.174 -4.339 1.00 . A A . 84 HIS N 1 1 5 2840 1 1 40 HIS ND1 N -13.862 4.369 -3.133 1.00 . A A . 84 HIS ND1 1 1 5 2841 1 1 40 HIS NE2 N -14.574 4.003 -1.063 1.00 . A A . 84 HIS NE2 1 1 5 2842 1 1 40 HIS O O -14.731 0.768 -4.015 1.00 . A A . 84 HIS O 1 1 5 2843 1 1 41 LYS C C -16.650 0.341 -2.354 1.00 . A A . 85 LYS C 1 1 5 2844 1 1 41 LYS CA C -15.675 -0.794 -2.033 1.00 . A A . 85 LYS CA 1 1 5 2845 1 1 41 LYS CB C -15.815 -1.223 -0.572 1.00 . A A . 85 LYS CB 1 1 5 2846 1 1 41 LYS CD C -15.169 -3.017 1.042 1.00 . A A . 85 LYS CD 1 1 5 2847 1 1 41 LYS CE C -14.342 -4.295 1.192 1.00 . A A . 85 LYS CE 1 1 5 2848 1 1 41 LYS CG C -14.782 -2.307 -0.257 1.00 . A A . 85 LYS CG 1 1 5 2849 1 1 41 LYS H H -13.601 -0.571 -1.490 1.00 . A A . 85 LYS H 1 1 5 2850 1 1 41 LYS HA H -15.848 -1.637 -2.683 1.00 . A A . 85 LYS HA 1 1 5 2851 1 1 41 LYS HB2 H -15.649 -0.368 0.070 1.00 . A A . 85 LYS HB2 1 1 5 2852 1 1 41 LYS HB3 H -16.808 -1.615 -0.406 1.00 . A A . 85 LYS HB3 1 1 5 2853 1 1 41 LYS HD2 H -14.978 -2.362 1.879 1.00 . A A . 85 LYS HD2 1 1 5 2854 1 1 41 LYS HD3 H -16.218 -3.271 1.014 1.00 . A A . 85 LYS HD3 1 1 5 2855 1 1 41 LYS HE2 H -14.220 -4.778 0.232 1.00 . A A . 85 LYS HE2 1 1 5 2856 1 1 41 LYS HE3 H -13.380 -4.072 1.628 1.00 . A A . 85 LYS HE3 1 1 5 2857 1 1 41 LYS HG2 H -14.755 -3.024 -1.066 1.00 . A A . 85 LYS HG2 1 1 5 2858 1 1 41 LYS HG3 H -13.809 -1.856 -0.142 1.00 . A A . 85 LYS HG3 1 1 5 2859 1 1 41 LYS HZ1 H -16.135 -4.889 2.067 1.00 . A A . 85 LYS HZ1 1 1 5 2860 1 1 41 LYS HZ2 H -15.026 -6.155 1.831 1.00 . A A . 85 LYS HZ2 1 1 5 2861 1 1 41 LYS HZ3 H -14.787 -5.035 3.086 1.00 . A A . 85 LYS HZ3 1 1 5 2862 1 1 41 LYS N N -14.268 -0.317 -2.162 1.00 . A A . 85 LYS N 1 1 5 2863 1 1 41 LYS NZ N -15.132 -5.158 2.114 1.00 . A A . 85 LYS NZ 1 1 5 2864 1 1 41 LYS O O -16.250 1.489 -2.243 1.00 . A A . 85 LYS O 1 1 5 2865 1 1 41 LYS OXT O -17.779 0.044 -2.708 1.00 . A A . 85 LYS OXT 1 1 6 2866 1 1 1 SER C C 18.365 4.261 -3.275 1.00 . A A . 45 SER C 1 1 6 2867 1 1 1 SER CA C 18.983 2.931 -3.715 1.00 . A A . 45 SER CA 1 1 6 2868 1 1 1 SER CB C 18.221 1.757 -3.102 1.00 . A A . 45 SER CB 1 1 6 2869 1 1 1 SER H1 H 20.937 3.621 -3.504 1.00 . A A . 45 SER H1 1 1 6 2870 1 1 1 SER H2 H 20.347 2.789 -2.146 1.00 . A A . 45 SER H2 1 1 6 2871 1 1 1 SER H3 H 20.800 1.928 -3.535 1.00 . A A . 45 SER H3 1 1 6 2872 1 1 1 SER HA H 18.981 2.850 -4.790 1.00 . A A . 45 SER HA 1 1 6 2873 1 1 1 SER HB2 H 18.491 1.652 -2.064 1.00 . A A . 45 SER HB2 1 1 6 2874 1 1 1 SER HB3 H 17.157 1.941 -3.177 1.00 . A A . 45 SER HB3 1 1 6 2875 1 1 1 SER HG H 18.289 -0.182 -3.254 1.00 . A A . 45 SER HG 1 1 6 2876 1 1 1 SER N N 20.372 2.807 -3.185 1.00 . A A . 45 SER N 1 1 6 2877 1 1 1 SER O O 18.301 4.569 -2.102 1.00 . A A . 45 SER O 1 1 6 2878 1 1 1 SER OG O 18.559 0.563 -3.795 1.00 . A A . 45 SER OG 1 1 6 2879 1 1 2 ASP C C 16.377 6.194 -2.629 1.00 . A A . 46 ASP C 1 1 6 2880 1 1 2 ASP CA C 17.295 6.361 -3.843 1.00 . A A . 46 ASP CA 1 1 6 2881 1 1 2 ASP CB C 16.489 6.777 -5.074 1.00 . A A . 46 ASP CB 1 1 6 2882 1 1 2 ASP CG C 17.232 7.885 -5.821 1.00 . A A . 46 ASP CG 1 1 6 2883 1 1 2 ASP H H 17.969 4.784 -5.149 1.00 . A A . 46 ASP H 1 1 6 2884 1 1 2 ASP HA H 18.061 7.092 -3.640 1.00 . A A . 46 ASP HA 1 1 6 2885 1 1 2 ASP HB2 H 16.360 5.925 -5.725 1.00 . A A . 46 ASP HB2 1 1 6 2886 1 1 2 ASP HB3 H 15.521 7.142 -4.763 1.00 . A A . 46 ASP HB3 1 1 6 2887 1 1 2 ASP N N 17.909 5.051 -4.209 1.00 . A A . 46 ASP N 1 1 6 2888 1 1 2 ASP O O 16.536 6.858 -1.624 1.00 . A A . 46 ASP O 1 1 6 2889 1 1 2 ASP OD1 O 18.445 7.794 -5.922 1.00 . A A . 46 ASP OD1 1 1 6 2890 1 1 2 ASP OD2 O 16.577 8.806 -6.280 1.00 . A A . 46 ASP OD2 1 1 6 2891 1 1 3 GLY C C 14.191 3.612 -1.421 1.00 . A A . 47 GLY C 1 1 6 2892 1 1 3 GLY CA C 14.493 5.105 -1.566 1.00 . A A . 47 GLY CA 1 1 6 2893 1 1 3 GLY H H 15.307 4.788 -3.534 1.00 . A A . 47 GLY H 1 1 6 2894 1 1 3 GLY HA2 H 14.956 5.470 -0.660 1.00 . A A . 47 GLY HA2 1 1 6 2895 1 1 3 GLY HA3 H 13.573 5.639 -1.742 1.00 . A A . 47 GLY HA3 1 1 6 2896 1 1 3 GLY N N 15.418 5.313 -2.715 1.00 . A A . 47 GLY N 1 1 6 2897 1 1 3 GLY O O 15.053 2.826 -1.084 1.00 . A A . 47 GLY O 1 1 6 2898 1 1 4 ASP C C 11.150 1.556 -1.945 1.00 . A A . 48 ASP C 1 1 6 2899 1 1 4 ASP CA C 12.618 1.774 -1.553 1.00 . A A . 48 ASP CA 1 1 6 2900 1 1 4 ASP CB C 12.852 1.435 -0.079 1.00 . A A . 48 ASP CB 1 1 6 2901 1 1 4 ASP CG C 12.518 -0.036 0.168 1.00 . A A . 48 ASP CG 1 1 6 2902 1 1 4 ASP H H 12.294 3.868 -1.947 1.00 . A A . 48 ASP H 1 1 6 2903 1 1 4 ASP HA H 13.265 1.176 -2.174 1.00 . A A . 48 ASP HA 1 1 6 2904 1 1 4 ASP HB2 H 13.887 1.616 0.171 1.00 . A A . 48 ASP HB2 1 1 6 2905 1 1 4 ASP HB3 H 12.220 2.056 0.538 1.00 . A A . 48 ASP HB3 1 1 6 2906 1 1 4 ASP N N 12.974 3.217 -1.675 1.00 . A A . 48 ASP N 1 1 6 2907 1 1 4 ASP O O 10.818 1.493 -3.113 1.00 . A A . 48 ASP O 1 1 6 2908 1 1 4 ASP OD1 O 13.014 -0.869 -0.573 1.00 . A A . 48 ASP OD1 1 1 6 2909 1 1 4 ASP OD2 O 11.771 -0.306 1.095 1.00 . A A . 48 ASP OD2 1 1 6 2910 1 1 5 GLN C C 7.954 2.222 -0.552 1.00 . A A . 49 GLN C 1 1 6 2911 1 1 5 GLN CA C 8.829 1.233 -1.324 1.00 . A A . 49 GLN CA 1 1 6 2912 1 1 5 GLN CB C 8.516 -0.196 -0.887 1.00 . A A . 49 GLN CB 1 1 6 2913 1 1 5 GLN CD C 9.991 -0.917 -2.761 1.00 . A A . 49 GLN CD 1 1 6 2914 1 1 5 GLN CG C 9.660 -1.130 -1.288 1.00 . A A . 49 GLN CG 1 1 6 2915 1 1 5 GLN H H 10.545 1.497 -0.053 1.00 . A A . 49 GLN H 1 1 6 2916 1 1 5 GLN HA H 8.669 1.336 -2.379 1.00 . A A . 49 GLN HA 1 1 6 2917 1 1 5 GLN HB2 H 8.395 -0.218 0.177 1.00 . A A . 49 GLN HB2 1 1 6 2918 1 1 5 GLN HB3 H 7.603 -0.523 -1.359 1.00 . A A . 49 GLN HB3 1 1 6 2919 1 1 5 GLN HE21 H 8.174 -0.254 -3.205 1.00 . A A . 49 GLN HE21 1 1 6 2920 1 1 5 GLN HE22 H 9.272 -0.307 -4.503 1.00 . A A . 49 GLN HE22 1 1 6 2921 1 1 5 GLN HG2 H 10.529 -0.914 -0.686 1.00 . A A . 49 GLN HG2 1 1 6 2922 1 1 5 GLN HG3 H 9.358 -2.155 -1.134 1.00 . A A . 49 GLN HG3 1 1 6 2923 1 1 5 GLN N N 10.266 1.443 -0.988 1.00 . A A . 49 GLN N 1 1 6 2924 1 1 5 GLN NE2 N 9.070 -0.457 -3.557 1.00 . A A . 49 GLN NE2 1 1 6 2925 1 1 5 GLN O O 7.222 3.002 -1.129 1.00 . A A . 49 GLN O 1 1 6 2926 1 1 5 GLN OE1 O 11.099 -1.171 -3.192 1.00 . A A . 49 GLN OE1 1 1 6 2927 1 1 6 CYS C C 7.862 4.498 1.667 1.00 . A A . 50 CYS C 1 1 6 2928 1 1 6 CYS CA C 7.194 3.120 1.572 1.00 . A A . 50 CYS CA 1 1 6 2929 1 1 6 CYS CB C 7.125 2.470 2.954 1.00 . A A . 50 CYS CB 1 1 6 2930 1 1 6 CYS H H 8.614 1.540 1.186 1.00 . A A . 50 CYS H 1 1 6 2931 1 1 6 CYS HA H 6.202 3.208 1.158 1.00 . A A . 50 CYS HA 1 1 6 2932 1 1 6 CYS HB2 H 8.066 1.985 3.171 1.00 . A A . 50 CYS HB2 1 1 6 2933 1 1 6 CYS HB3 H 6.933 3.229 3.698 1.00 . A A . 50 CYS HB3 1 1 6 2934 1 1 6 CYS N N 8.022 2.186 0.749 1.00 . A A . 50 CYS N 1 1 6 2935 1 1 6 CYS O O 7.873 5.116 2.713 1.00 . A A . 50 CYS O 1 1 6 2936 1 1 6 CYS SG S 5.795 1.243 2.984 1.00 . A A . 50 CYS SG 1 1 6 2937 1 1 7 ALA C C 8.141 7.390 0.050 1.00 . A A . 51 ALA C 1 1 6 2938 1 1 7 ALA CA C 9.074 6.322 0.631 1.00 . A A . 51 ALA CA 1 1 6 2939 1 1 7 ALA CB C 10.325 6.174 -0.234 1.00 . A A . 51 ALA CB 1 1 6 2940 1 1 7 ALA H H 8.397 4.478 -0.245 1.00 . A A . 51 ALA H 1 1 6 2941 1 1 7 ALA HA H 9.352 6.574 1.642 1.00 . A A . 51 ALA HA 1 1 6 2942 1 1 7 ALA HB1 H 10.060 5.711 -1.173 1.00 . A A . 51 ALA HB1 1 1 6 2943 1 1 7 ALA HB2 H 10.750 7.150 -0.422 1.00 . A A . 51 ALA HB2 1 1 6 2944 1 1 7 ALA HB3 H 11.047 5.559 0.280 1.00 . A A . 51 ALA HB3 1 1 6 2945 1 1 7 ALA N N 8.415 4.986 0.589 1.00 . A A . 51 ALA N 1 1 6 2946 1 1 7 ALA O O 8.185 8.542 0.433 1.00 . A A . 51 ALA O 1 1 6 2947 1 1 8 SER C C 4.911 7.591 -1.226 1.00 . A A . 52 SER C 1 1 6 2948 1 1 8 SER CA C 6.363 8.007 -1.478 1.00 . A A . 52 SER CA 1 1 6 2949 1 1 8 SER CB C 6.675 7.981 -2.974 1.00 . A A . 52 SER CB 1 1 6 2950 1 1 8 SER H H 7.278 6.080 -1.168 1.00 . A A . 52 SER H 1 1 6 2951 1 1 8 SER HA H 6.549 8.992 -1.080 1.00 . A A . 52 SER HA 1 1 6 2952 1 1 8 SER HB2 H 5.994 8.633 -3.496 1.00 . A A . 52 SER HB2 1 1 6 2953 1 1 8 SER HB3 H 7.690 8.321 -3.135 1.00 . A A . 52 SER HB3 1 1 6 2954 1 1 8 SER HG H 7.378 6.356 -3.778 1.00 . A A . 52 SER HG 1 1 6 2955 1 1 8 SER N N 7.298 7.014 -0.873 1.00 . A A . 52 SER N 1 1 6 2956 1 1 8 SER O O 3.988 8.159 -1.775 1.00 . A A . 52 SER O 1 1 6 2957 1 1 8 SER OG O 6.522 6.656 -3.463 1.00 . A A . 52 SER OG 1 1 6 2958 1 1 9 SER C C 2.609 5.727 -1.401 1.00 . A A . 53 SER C 1 1 6 2959 1 1 9 SER CA C 3.311 6.153 -0.108 1.00 . A A . 53 SER CA 1 1 6 2960 1 1 9 SER CB C 2.619 7.370 0.502 1.00 . A A . 53 SER CB 1 1 6 2961 1 1 9 SER H H 5.462 6.160 0.036 1.00 . A A . 53 SER H 1 1 6 2962 1 1 9 SER HA H 3.319 5.340 0.601 1.00 . A A . 53 SER HA 1 1 6 2963 1 1 9 SER HB2 H 2.728 7.348 1.574 1.00 . A A . 53 SER HB2 1 1 6 2964 1 1 9 SER HB3 H 3.074 8.273 0.115 1.00 . A A . 53 SER HB3 1 1 6 2965 1 1 9 SER HG H 1.007 8.187 -0.218 1.00 . A A . 53 SER HG 1 1 6 2966 1 1 9 SER N N 4.703 6.604 -0.397 1.00 . A A . 53 SER N 1 1 6 2967 1 1 9 SER O O 1.768 6.439 -1.916 1.00 . A A . 53 SER O 1 1 6 2968 1 1 9 SER OG O 1.237 7.341 0.172 1.00 . A A . 53 SER OG 1 1 6 2969 1 1 10 PRO C C 0.951 3.553 -2.869 1.00 . A A . 54 PRO C 1 1 6 2970 1 1 10 PRO CA C 2.382 4.035 -3.129 1.00 . A A . 54 PRO CA 1 1 6 2971 1 1 10 PRO CB C 3.287 2.860 -3.489 1.00 . A A . 54 PRO CB 1 1 6 2972 1 1 10 PRO CD C 3.986 3.669 -1.314 1.00 . A A . 54 PRO CD 1 1 6 2973 1 1 10 PRO CG C 3.940 2.454 -2.205 1.00 . A A . 54 PRO CG 1 1 6 2974 1 1 10 PRO HA H 2.402 4.774 -3.914 1.00 . A A . 54 PRO HA 1 1 6 2975 1 1 10 PRO HB2 H 2.698 2.044 -3.888 1.00 . A A . 54 PRO HB2 1 1 6 2976 1 1 10 PRO HB3 H 4.037 3.167 -4.203 1.00 . A A . 54 PRO HB3 1 1 6 2977 1 1 10 PRO HD2 H 3.728 3.401 -0.298 1.00 . A A . 54 PRO HD2 1 1 6 2978 1 1 10 PRO HD3 H 4.961 4.129 -1.350 1.00 . A A . 54 PRO HD3 1 1 6 2979 1 1 10 PRO HG2 H 3.363 1.670 -1.733 1.00 . A A . 54 PRO HG2 1 1 6 2980 1 1 10 PRO HG3 H 4.943 2.107 -2.396 1.00 . A A . 54 PRO HG3 1 1 6 2981 1 1 10 PRO N N 2.981 4.572 -1.882 1.00 . A A . 54 PRO N 1 1 6 2982 1 1 10 PRO O O 0.273 3.078 -3.758 1.00 . A A . 54 PRO O 1 1 6 2983 1 1 11 CYS C C -1.899 4.326 -1.600 1.00 . A A . 55 CYS C 1 1 6 2984 1 1 11 CYS CA C -0.892 3.203 -1.330 1.00 . A A . 55 CYS CA 1 1 6 2985 1 1 11 CYS CB C -0.869 2.858 0.165 1.00 . A A . 55 CYS CB 1 1 6 2986 1 1 11 CYS H H 1.056 4.044 -0.948 1.00 . A A . 55 CYS H 1 1 6 2987 1 1 11 CYS HA H -1.142 2.327 -1.907 1.00 . A A . 55 CYS HA 1 1 6 2988 1 1 11 CYS HB2 H -0.955 3.768 0.744 1.00 . A A . 55 CYS HB2 1 1 6 2989 1 1 11 CYS HB3 H -1.701 2.205 0.395 1.00 . A A . 55 CYS HB3 1 1 6 2990 1 1 11 CYS N N 0.491 3.664 -1.653 1.00 . A A . 55 CYS N 1 1 6 2991 1 1 11 CYS O O -1.532 5.470 -1.785 1.00 . A A . 55 CYS O 1 1 6 2992 1 1 11 CYS SG S 0.685 2.025 0.591 1.00 . A A . 55 CYS SG 1 1 6 2993 1 1 12 GLN C C -5.355 4.924 -0.896 1.00 . A A . 56 GLN C 1 1 6 2994 1 1 12 GLN CA C -4.190 5.058 -1.880 1.00 . A A . 56 GLN CA 1 1 6 2995 1 1 12 GLN CB C -4.668 4.803 -3.308 1.00 . A A . 56 GLN CB 1 1 6 2996 1 1 12 GLN CD C -3.898 4.549 -5.670 1.00 . A A . 56 GLN CD 1 1 6 2997 1 1 12 GLN CG C -3.513 5.050 -4.278 1.00 . A A . 56 GLN CG 1 1 6 2998 1 1 12 GLN H H -3.440 3.084 -1.472 1.00 . A A . 56 GLN H 1 1 6 2999 1 1 12 GLN HA H -3.749 6.036 -1.810 1.00 . A A . 56 GLN HA 1 1 6 3000 1 1 12 GLN HB2 H -5.005 3.780 -3.399 1.00 . A A . 56 GLN HB2 1 1 6 3001 1 1 12 GLN HB3 H -5.482 5.473 -3.542 1.00 . A A . 56 GLN HB3 1 1 6 3002 1 1 12 GLN HE21 H -4.349 2.718 -5.039 1.00 . A A . 56 GLN HE21 1 1 6 3003 1 1 12 GLN HE22 H -4.547 2.985 -6.713 1.00 . A A . 56 GLN HE22 1 1 6 3004 1 1 12 GLN HG2 H -3.302 6.109 -4.319 1.00 . A A . 56 GLN HG2 1 1 6 3005 1 1 12 GLN HG3 H -2.638 4.520 -3.934 1.00 . A A . 56 GLN HG3 1 1 6 3006 1 1 12 GLN N N -3.165 4.010 -1.622 1.00 . A A . 56 GLN N 1 1 6 3007 1 1 12 GLN NE2 N -4.298 3.316 -5.820 1.00 . A A . 56 GLN NE2 1 1 6 3008 1 1 12 GLN O O -5.434 3.982 -0.132 1.00 . A A . 56 GLN O 1 1 6 3009 1 1 12 GLN OE1 O -3.834 5.287 -6.634 1.00 . A A . 56 GLN OE1 1 1 6 3010 1 1 13 ASN C C -6.956 5.706 1.465 1.00 . A A . 57 ASN C 1 1 6 3011 1 1 13 ASN CA C -7.430 5.797 0.011 1.00 . A A . 57 ASN CA 1 1 6 3012 1 1 13 ASN CB C -8.184 4.529 -0.389 1.00 . A A . 57 ASN CB 1 1 6 3013 1 1 13 ASN CG C -8.814 4.723 -1.770 1.00 . A A . 57 ASN CG 1 1 6 3014 1 1 13 ASN H H -6.177 6.609 -1.546 1.00 . A A . 57 ASN H 1 1 6 3015 1 1 13 ASN HA H -8.064 6.658 -0.125 1.00 . A A . 57 ASN HA 1 1 6 3016 1 1 13 ASN HB2 H -7.497 3.697 -0.419 1.00 . A A . 57 ASN HB2 1 1 6 3017 1 1 13 ASN HB3 H -8.961 4.328 0.334 1.00 . A A . 57 ASN HB3 1 1 6 3018 1 1 13 ASN HD21 H -7.832 3.199 -2.584 1.00 . A A . 57 ASN HD21 1 1 6 3019 1 1 13 ASN HD22 H -8.882 4.038 -3.634 1.00 . A A . 57 ASN HD22 1 1 6 3020 1 1 13 ASN N N -6.262 5.861 -0.916 1.00 . A A . 57 ASN N 1 1 6 3021 1 1 13 ASN ND2 N -8.482 3.920 -2.743 1.00 . A A . 57 ASN ND2 1 1 6 3022 1 1 13 ASN O O -7.492 4.956 2.256 1.00 . A A . 57 ASN O 1 1 6 3023 1 1 13 ASN OD1 O -9.617 5.614 -1.964 1.00 . A A . 57 ASN OD1 1 1 6 3024 1 1 14 GLY C C -5.071 5.000 3.603 1.00 . A A . 58 GLY C 1 1 6 3025 1 1 14 GLY CA C -5.458 6.431 3.226 1.00 . A A . 58 GLY CA 1 1 6 3026 1 1 14 GLY H H -5.546 7.070 1.170 1.00 . A A . 58 GLY H 1 1 6 3027 1 1 14 GLY HA2 H -4.594 7.073 3.314 1.00 . A A . 58 GLY HA2 1 1 6 3028 1 1 14 GLY HA3 H -6.232 6.778 3.894 1.00 . A A . 58 GLY HA3 1 1 6 3029 1 1 14 GLY N N -5.961 6.469 1.823 1.00 . A A . 58 GLY N 1 1 6 3030 1 1 14 GLY O O -5.131 4.615 4.754 1.00 . A A . 58 GLY O 1 1 6 3031 1 1 15 GLY C C -2.847 2.792 3.508 1.00 . A A . 59 GLY C 1 1 6 3032 1 1 15 GLY CA C -4.276 2.804 2.963 1.00 . A A . 59 GLY CA 1 1 6 3033 1 1 15 GLY H H -4.624 4.535 1.725 1.00 . A A . 59 GLY H 1 1 6 3034 1 1 15 GLY HA2 H -4.952 2.400 3.706 1.00 . A A . 59 GLY HA2 1 1 6 3035 1 1 15 GLY HA3 H -4.322 2.203 2.064 1.00 . A A . 59 GLY HA3 1 1 6 3036 1 1 15 GLY N N -4.670 4.207 2.648 1.00 . A A . 59 GLY N 1 1 6 3037 1 1 15 GLY O O -2.032 3.621 3.155 1.00 . A A . 59 GLY O 1 1 6 3038 1 1 16 SER C C -0.206 1.145 3.932 1.00 . A A . 60 SER C 1 1 6 3039 1 1 16 SER CA C -1.156 1.805 4.934 1.00 . A A . 60 SER CA 1 1 6 3040 1 1 16 SER CB C -1.280 0.953 6.196 1.00 . A A . 60 SER CB 1 1 6 3041 1 1 16 SER H H -3.206 1.202 4.643 1.00 . A A . 60 SER H 1 1 6 3042 1 1 16 SER HA H -0.810 2.794 5.188 1.00 . A A . 60 SER HA 1 1 6 3043 1 1 16 SER HB2 H -2.285 0.575 6.281 1.00 . A A . 60 SER HB2 1 1 6 3044 1 1 16 SER HB3 H -0.589 0.122 6.137 1.00 . A A . 60 SER HB3 1 1 6 3045 1 1 16 SER HG H -0.689 1.171 8.037 1.00 . A A . 60 SER HG 1 1 6 3046 1 1 16 SER N N -2.535 1.862 4.368 1.00 . A A . 60 SER N 1 1 6 3047 1 1 16 SER O O -0.630 0.563 2.954 1.00 . A A . 60 SER O 1 1 6 3048 1 1 16 SER OG O -0.984 1.753 7.333 1.00 . A A . 60 SER OG 1 1 6 3049 1 1 17 CYS C C 2.950 -0.385 3.953 1.00 . A A . 61 CYS C 1 1 6 3050 1 1 17 CYS CA C 2.042 0.608 3.215 1.00 . A A . 61 CYS CA 1 1 6 3051 1 1 17 CYS CB C 2.842 1.784 2.628 1.00 . A A . 61 CYS CB 1 1 6 3052 1 1 17 CYS H H 1.403 1.707 4.955 1.00 . A A . 61 CYS H 1 1 6 3053 1 1 17 CYS HA H 1.510 0.103 2.425 1.00 . A A . 61 CYS HA 1 1 6 3054 1 1 17 CYS HB2 H 3.244 1.497 1.668 1.00 . A A . 61 CYS HB2 1 1 6 3055 1 1 17 CYS HB3 H 2.185 2.631 2.500 1.00 . A A . 61 CYS HB3 1 1 6 3056 1 1 17 CYS N N 1.077 1.232 4.163 1.00 . A A . 61 CYS N 1 1 6 3057 1 1 17 CYS O O 3.527 -0.073 4.976 1.00 . A A . 61 CYS O 1 1 6 3058 1 1 17 CYS SG S 4.208 2.249 3.727 1.00 . A A . 61 CYS SG 1 1 6 3059 1 1 18 LYS C C 5.290 -2.698 3.379 1.00 . A A . 62 LYS C 1 1 6 3060 1 1 18 LYS CA C 3.958 -2.579 4.119 1.00 . A A . 62 LYS CA 1 1 6 3061 1 1 18 LYS CB C 3.199 -3.902 4.055 1.00 . A A . 62 LYS CB 1 1 6 3062 1 1 18 LYS CD C 3.544 -6.354 4.365 1.00 . A A . 62 LYS CD 1 1 6 3063 1 1 18 LYS CE C 3.531 -7.323 5.549 1.00 . A A . 62 LYS CE 1 1 6 3064 1 1 18 LYS CG C 3.964 -4.965 4.845 1.00 . A A . 62 LYS CG 1 1 6 3065 1 1 18 LYS H H 2.609 -1.813 2.615 1.00 . A A . 62 LYS H 1 1 6 3066 1 1 18 LYS HA H 4.124 -2.299 5.147 1.00 . A A . 62 LYS HA 1 1 6 3067 1 1 18 LYS HB2 H 2.214 -3.773 4.479 1.00 . A A . 62 LYS HB2 1 1 6 3068 1 1 18 LYS HB3 H 3.114 -4.216 3.029 1.00 . A A . 62 LYS HB3 1 1 6 3069 1 1 18 LYS HD2 H 2.556 -6.300 3.930 1.00 . A A . 62 LYS HD2 1 1 6 3070 1 1 18 LYS HD3 H 4.245 -6.705 3.623 1.00 . A A . 62 LYS HD3 1 1 6 3071 1 1 18 LYS HE2 H 4.541 -7.535 5.871 1.00 . A A . 62 LYS HE2 1 1 6 3072 1 1 18 LYS HE3 H 2.953 -6.915 6.363 1.00 . A A . 62 LYS HE3 1 1 6 3073 1 1 18 LYS HG2 H 5.026 -4.835 4.687 1.00 . A A . 62 LYS HG2 1 1 6 3074 1 1 18 LYS HG3 H 3.740 -4.865 5.896 1.00 . A A . 62 LYS HG3 1 1 6 3075 1 1 18 LYS HZ1 H 3.186 -8.726 4.051 1.00 . A A . 62 LYS HZ1 1 1 6 3076 1 1 18 LYS HZ2 H 3.147 -9.368 5.624 1.00 . A A . 62 LYS HZ2 1 1 6 3077 1 1 18 LYS HZ3 H 1.846 -8.439 5.050 1.00 . A A . 62 LYS HZ3 1 1 6 3078 1 1 18 LYS N N 3.082 -1.577 3.443 1.00 . A A . 62 LYS N 1 1 6 3079 1 1 18 LYS NZ N 2.878 -8.557 5.029 1.00 . A A . 62 LYS NZ 1 1 6 3080 1 1 18 LYS O O 5.341 -2.683 2.164 1.00 . A A . 62 LYS O 1 1 6 3081 1 1 19 ASP C C 8.274 -4.341 3.669 1.00 . A A . 63 ASP C 1 1 6 3082 1 1 19 ASP CA C 7.698 -2.940 3.446 1.00 . A A . 63 ASP CA 1 1 6 3083 1 1 19 ASP CB C 8.573 -1.886 4.126 1.00 . A A . 63 ASP CB 1 1 6 3084 1 1 19 ASP CG C 8.726 -2.229 5.608 1.00 . A A . 63 ASP CG 1 1 6 3085 1 1 19 ASP H H 6.298 -2.833 5.079 1.00 . A A . 63 ASP H 1 1 6 3086 1 1 19 ASP HA H 7.620 -2.729 2.391 1.00 . A A . 63 ASP HA 1 1 6 3087 1 1 19 ASP HB2 H 9.547 -1.870 3.657 1.00 . A A . 63 ASP HB2 1 1 6 3088 1 1 19 ASP HB3 H 8.110 -0.916 4.028 1.00 . A A . 63 ASP HB3 1 1 6 3089 1 1 19 ASP N N 6.367 -2.819 4.102 1.00 . A A . 63 ASP N 1 1 6 3090 1 1 19 ASP O O 8.668 -4.693 4.763 1.00 . A A . 63 ASP O 1 1 6 3091 1 1 19 ASP OD1 O 7.776 -2.020 6.346 1.00 . A A . 63 ASP OD1 1 1 6 3092 1 1 19 ASP OD2 O 9.790 -2.694 5.983 1.00 . A A . 63 ASP OD2 1 1 6 3093 1 1 20 GLN C C 10.267 -6.600 2.140 1.00 . A A . 64 GLN C 1 1 6 3094 1 1 20 GLN CA C 8.884 -6.519 2.793 1.00 . A A . 64 GLN CA 1 1 6 3095 1 1 20 GLN CB C 7.899 -7.486 2.098 1.00 . A A . 64 GLN CB 1 1 6 3096 1 1 20 GLN CD C 5.716 -7.744 0.900 1.00 . A A . 64 GLN CD 1 1 6 3097 1 1 20 GLN CG C 6.691 -6.738 1.514 1.00 . A A . 64 GLN CG 1 1 6 3098 1 1 20 GLN H H 8.008 -4.831 1.767 1.00 . A A . 64 GLN H 1 1 6 3099 1 1 20 GLN HA H 8.958 -6.769 3.840 1.00 . A A . 64 GLN HA 1 1 6 3100 1 1 20 GLN HB2 H 8.414 -8.000 1.300 1.00 . A A . 64 GLN HB2 1 1 6 3101 1 1 20 GLN HB3 H 7.551 -8.212 2.818 1.00 . A A . 64 GLN HB3 1 1 6 3102 1 1 20 GLN HE21 H 4.847 -8.172 2.637 1.00 . A A . 64 GLN HE21 1 1 6 3103 1 1 20 GLN HE22 H 4.228 -9.006 1.284 1.00 . A A . 64 GLN HE22 1 1 6 3104 1 1 20 GLN HG2 H 6.194 -6.187 2.301 1.00 . A A . 64 GLN HG2 1 1 6 3105 1 1 20 GLN HG3 H 7.025 -6.053 0.751 1.00 . A A . 64 GLN HG3 1 1 6 3106 1 1 20 GLN N N 8.327 -5.139 2.640 1.00 . A A . 64 GLN N 1 1 6 3107 1 1 20 GLN NE2 N 4.860 -8.359 1.670 1.00 . A A . 64 GLN NE2 1 1 6 3108 1 1 20 GLN O O 10.884 -5.595 1.848 1.00 . A A . 64 GLN O 1 1 6 3109 1 1 20 GLN OE1 O 5.733 -7.975 -0.293 1.00 . A A . 64 GLN OE1 1 1 6 3110 1 1 21 LEU C C 11.994 -8.140 -0.213 1.00 . A A . 65 LEU C 1 1 6 3111 1 1 21 LEU CA C 12.115 -7.924 1.295 1.00 . A A . 65 LEU CA 1 1 6 3112 1 1 21 LEU CB C 12.734 -9.150 1.963 1.00 . A A . 65 LEU CB 1 1 6 3113 1 1 21 LEU CD1 C 14.938 -9.685 3.012 1.00 . A A . 65 LEU CD1 1 1 6 3114 1 1 21 LEU CD2 C 14.615 -9.997 0.555 1.00 . A A . 65 LEU CD2 1 1 6 3115 1 1 21 LEU CG C 14.251 -9.131 1.762 1.00 . A A . 65 LEU CG 1 1 6 3116 1 1 21 LEU H H 10.256 -8.587 2.167 1.00 . A A . 65 LEU H 1 1 6 3117 1 1 21 LEU HA H 12.709 -7.055 1.500 1.00 . A A . 65 LEU HA 1 1 6 3118 1 1 21 LEU HB2 H 12.508 -9.138 3.020 1.00 . A A . 65 LEU HB2 1 1 6 3119 1 1 21 LEU HB3 H 12.326 -10.046 1.518 1.00 . A A . 65 LEU HB3 1 1 6 3120 1 1 21 LEU HD11 H 14.573 -9.163 3.884 1.00 . A A . 65 LEU HD11 1 1 6 3121 1 1 21 LEU HD12 H 14.720 -10.739 3.106 1.00 . A A . 65 LEU HD12 1 1 6 3122 1 1 21 LEU HD13 H 16.005 -9.544 2.927 1.00 . A A . 65 LEU HD13 1 1 6 3123 1 1 21 LEU HD21 H 14.089 -10.939 0.615 1.00 . A A . 65 LEU HD21 1 1 6 3124 1 1 21 LEU HD22 H 14.335 -9.485 -0.353 1.00 . A A . 65 LEU HD22 1 1 6 3125 1 1 21 LEU HD23 H 15.680 -10.179 0.552 1.00 . A A . 65 LEU HD23 1 1 6 3126 1 1 21 LEU HG H 14.578 -8.116 1.592 1.00 . A A . 65 LEU HG 1 1 6 3127 1 1 21 LEU N N 10.765 -7.787 1.918 1.00 . A A . 65 LEU N 1 1 6 3128 1 1 21 LEU O O 12.949 -7.999 -0.951 1.00 . A A . 65 LEU O 1 1 6 3129 1 1 22 GLN C C 9.890 -7.523 -2.756 1.00 . A A . 66 GLN C 1 1 6 3130 1 1 22 GLN CA C 10.638 -8.705 -2.135 1.00 . A A . 66 GLN CA 1 1 6 3131 1 1 22 GLN CB C 9.803 -9.982 -2.233 1.00 . A A . 66 GLN CB 1 1 6 3132 1 1 22 GLN CD C 11.621 -11.695 -2.292 1.00 . A A . 66 GLN CD 1 1 6 3133 1 1 22 GLN CG C 10.489 -11.103 -1.450 1.00 . A A . 66 GLN CG 1 1 6 3134 1 1 22 GLN H H 10.077 -8.583 -0.056 1.00 . A A . 66 GLN H 1 1 6 3135 1 1 22 GLN HA H 11.590 -8.848 -2.623 1.00 . A A . 66 GLN HA 1 1 6 3136 1 1 22 GLN HB2 H 8.821 -9.802 -1.820 1.00 . A A . 66 GLN HB2 1 1 6 3137 1 1 22 GLN HB3 H 9.710 -10.273 -3.268 1.00 . A A . 66 GLN HB3 1 1 6 3138 1 1 22 GLN HE21 H 12.964 -11.562 -0.837 1.00 . A A . 66 GLN HE21 1 1 6 3139 1 1 22 GLN HE22 H 13.538 -12.214 -2.296 1.00 . A A . 66 GLN HE22 1 1 6 3140 1 1 22 GLN HG2 H 10.894 -10.704 -0.531 1.00 . A A . 66 GLN HG2 1 1 6 3141 1 1 22 GLN HG3 H 9.771 -11.876 -1.223 1.00 . A A . 66 GLN HG3 1 1 6 3142 1 1 22 GLN N N 10.828 -8.478 -0.673 1.00 . A A . 66 GLN N 1 1 6 3143 1 1 22 GLN NE2 N 12.806 -11.835 -1.765 1.00 . A A . 66 GLN NE2 1 1 6 3144 1 1 22 GLN O O 9.977 -7.271 -3.941 1.00 . A A . 66 GLN O 1 1 6 3145 1 1 22 GLN OE1 O 11.424 -12.034 -3.443 1.00 . A A . 66 GLN OE1 1 1 6 3146 1 1 23 SER C C 7.655 -4.935 -1.345 1.00 . A A . 67 SER C 1 1 6 3147 1 1 23 SER CA C 8.394 -5.632 -2.492 1.00 . A A . 67 SER CA 1 1 6 3148 1 1 23 SER CB C 7.408 -6.229 -3.496 1.00 . A A . 67 SER CB 1 1 6 3149 1 1 23 SER H H 9.099 -7.023 -1.007 1.00 . A A . 67 SER H 1 1 6 3150 1 1 23 SER HA H 9.058 -4.943 -2.989 1.00 . A A . 67 SER HA 1 1 6 3151 1 1 23 SER HB2 H 7.903 -6.982 -4.086 1.00 . A A . 67 SER HB2 1 1 6 3152 1 1 23 SER HB3 H 6.581 -6.680 -2.963 1.00 . A A . 67 SER HB3 1 1 6 3153 1 1 23 SER HG H 6.717 -5.597 -5.201 1.00 . A A . 67 SER HG 1 1 6 3154 1 1 23 SER N N 9.154 -6.799 -1.960 1.00 . A A . 67 SER N 1 1 6 3155 1 1 23 SER O O 8.219 -4.684 -0.300 1.00 . A A . 67 SER O 1 1 6 3156 1 1 23 SER OG O 6.931 -5.201 -4.354 1.00 . A A . 67 SER OG 1 1 6 3157 1 1 24 TYR C C 4.134 -4.134 -0.656 1.00 . A A . 68 TYR C 1 1 6 3158 1 1 24 TYR CA C 5.637 -3.957 -0.429 1.00 . A A . 68 TYR CA 1 1 6 3159 1 1 24 TYR CB C 6.031 -2.483 -0.506 1.00 . A A . 68 TYR CB 1 1 6 3160 1 1 24 TYR CD1 C 6.759 -2.082 -2.884 1.00 . A A . 68 TYR CD1 1 1 6 3161 1 1 24 TYR CD2 C 4.547 -1.353 -2.205 1.00 . A A . 68 TYR CD2 1 1 6 3162 1 1 24 TYR CE1 C 6.521 -1.597 -4.176 1.00 . A A . 68 TYR CE1 1 1 6 3163 1 1 24 TYR CE2 C 4.311 -0.868 -3.496 1.00 . A A . 68 TYR CE2 1 1 6 3164 1 1 24 TYR CG C 5.772 -1.961 -1.899 1.00 . A A . 68 TYR CG 1 1 6 3165 1 1 24 TYR CZ C 5.297 -0.990 -4.482 1.00 . A A . 68 TYR CZ 1 1 6 3166 1 1 24 TYR H H 5.953 -4.840 -2.368 1.00 . A A . 68 TYR H 1 1 6 3167 1 1 24 TYR HA H 5.921 -4.364 0.528 1.00 . A A . 68 TYR HA 1 1 6 3168 1 1 24 TYR HB2 H 5.447 -1.916 0.205 1.00 . A A . 68 TYR HB2 1 1 6 3169 1 1 24 TYR HB3 H 7.082 -2.381 -0.274 1.00 . A A . 68 TYR HB3 1 1 6 3170 1 1 24 TYR HD1 H 7.703 -2.549 -2.647 1.00 . A A . 68 TYR HD1 1 1 6 3171 1 1 24 TYR HD2 H 3.786 -1.261 -1.444 1.00 . A A . 68 TYR HD2 1 1 6 3172 1 1 24 TYR HE1 H 7.282 -1.691 -4.937 1.00 . A A . 68 TYR HE1 1 1 6 3173 1 1 24 TYR HE2 H 3.366 -0.399 -3.732 1.00 . A A . 68 TYR HE2 1 1 6 3174 1 1 24 TYR HH H 4.132 -0.635 -5.952 1.00 . A A . 68 TYR HH 1 1 6 3175 1 1 24 TYR N N 6.398 -4.627 -1.522 1.00 . A A . 68 TYR N 1 1 6 3176 1 1 24 TYR O O 3.668 -4.194 -1.776 1.00 . A A . 68 TYR O 1 1 6 3177 1 1 24 TYR OH O 5.063 -0.512 -5.755 1.00 . A A . 68 TYR OH 1 1 6 3178 1 1 25 ILE C C 1.149 -3.434 1.160 1.00 . A A . 69 ILE C 1 1 6 3179 1 1 25 ILE CA C 1.900 -4.402 0.242 1.00 . A A . 69 ILE CA 1 1 6 3180 1 1 25 ILE CB C 1.637 -5.862 0.631 1.00 . A A . 69 ILE CB 1 1 6 3181 1 1 25 ILE CD1 C 2.571 -8.002 -0.246 1.00 . A A . 69 ILE CD1 1 1 6 3182 1 1 25 ILE CG1 C 1.793 -6.738 -0.610 1.00 . A A . 69 ILE CG1 1 1 6 3183 1 1 25 ILE CG2 C 0.217 -6.022 1.182 1.00 . A A . 69 ILE CG2 1 1 6 3184 1 1 25 ILE H H 3.769 -4.175 1.295 1.00 . A A . 69 ILE H 1 1 6 3185 1 1 25 ILE HA H 1.613 -4.241 -0.786 1.00 . A A . 69 ILE HA 1 1 6 3186 1 1 25 ILE HB H 2.351 -6.167 1.380 1.00 . A A . 69 ILE HB 1 1 6 3187 1 1 25 ILE HD11 H 2.245 -8.358 0.720 1.00 . A A . 69 ILE HD11 1 1 6 3188 1 1 25 ILE HD12 H 2.391 -8.763 -0.990 1.00 . A A . 69 ILE HD12 1 1 6 3189 1 1 25 ILE HD13 H 3.627 -7.776 -0.209 1.00 . A A . 69 ILE HD13 1 1 6 3190 1 1 25 ILE HG12 H 0.815 -7.008 -0.983 1.00 . A A . 69 ILE HG12 1 1 6 3191 1 1 25 ILE HG13 H 2.330 -6.190 -1.370 1.00 . A A . 69 ILE HG13 1 1 6 3192 1 1 25 ILE HG21 H -0.386 -5.181 0.876 1.00 . A A . 69 ILE HG21 1 1 6 3193 1 1 25 ILE HG22 H -0.216 -6.933 0.798 1.00 . A A . 69 ILE HG22 1 1 6 3194 1 1 25 ILE HG23 H 0.254 -6.067 2.259 1.00 . A A . 69 ILE HG23 1 1 6 3195 1 1 25 ILE N N 3.372 -4.223 0.399 1.00 . A A . 69 ILE N 1 1 6 3196 1 1 25 ILE O O 1.315 -3.442 2.362 1.00 . A A . 69 ILE O 1 1 6 3197 1 1 26 CYS C C -1.647 -2.296 2.084 1.00 . A A . 70 CYS C 1 1 6 3198 1 1 26 CYS CA C -0.432 -1.629 1.436 1.00 . A A . 70 CYS CA 1 1 6 3199 1 1 26 CYS CB C -0.884 -0.543 0.469 1.00 . A A . 70 CYS CB 1 1 6 3200 1 1 26 CYS H H 0.204 -2.609 -0.374 1.00 . A A . 70 CYS H 1 1 6 3201 1 1 26 CYS HA H 0.208 -1.203 2.187 1.00 . A A . 70 CYS HA 1 1 6 3202 1 1 26 CYS HB2 H -1.512 -0.981 -0.290 1.00 . A A . 70 CYS HB2 1 1 6 3203 1 1 26 CYS HB3 H -1.438 0.205 1.011 1.00 . A A . 70 CYS HB3 1 1 6 3204 1 1 26 CYS N N 0.324 -2.600 0.599 1.00 . A A . 70 CYS N 1 1 6 3205 1 1 26 CYS O O -2.368 -3.044 1.454 1.00 . A A . 70 CYS O 1 1 6 3206 1 1 26 CYS SG S 0.558 0.222 -0.308 1.00 . A A . 70 CYS SG 1 1 6 3207 1 1 27 PHE C C -4.208 -1.598 4.050 1.00 . A A . 71 PHE C 1 1 6 3208 1 1 27 PHE CA C -3.065 -2.614 4.022 1.00 . A A . 71 PHE CA 1 1 6 3209 1 1 27 PHE CB C -2.590 -2.926 5.441 1.00 . A A . 71 PHE CB 1 1 6 3210 1 1 27 PHE CD1 C -1.582 -5.031 4.485 1.00 . A A . 71 PHE CD1 1 1 6 3211 1 1 27 PHE CD2 C -0.404 -3.873 6.259 1.00 . A A . 71 PHE CD2 1 1 6 3212 1 1 27 PHE CE1 C -0.570 -5.997 4.443 1.00 . A A . 71 PHE CE1 1 1 6 3213 1 1 27 PHE CE2 C 0.609 -4.840 6.218 1.00 . A A . 71 PHE CE2 1 1 6 3214 1 1 27 PHE CG C -1.499 -3.969 5.392 1.00 . A A . 71 PHE CG 1 1 6 3215 1 1 27 PHE CZ C 0.525 -5.902 5.310 1.00 . A A . 71 PHE CZ 1 1 6 3216 1 1 27 PHE H H -1.299 -1.398 3.820 1.00 . A A . 71 PHE H 1 1 6 3217 1 1 27 PHE HA H -3.374 -3.520 3.525 1.00 . A A . 71 PHE HA 1 1 6 3218 1 1 27 PHE HB2 H -2.207 -2.023 5.898 1.00 . A A . 71 PHE HB2 1 1 6 3219 1 1 27 PHE HB3 H -3.421 -3.301 6.020 1.00 . A A . 71 PHE HB3 1 1 6 3220 1 1 27 PHE HD1 H -2.427 -5.106 3.817 1.00 . A A . 71 PHE HD1 1 1 6 3221 1 1 27 PHE HD2 H -0.339 -3.054 6.960 1.00 . A A . 71 PHE HD2 1 1 6 3222 1 1 27 PHE HE1 H -0.634 -6.818 3.742 1.00 . A A . 71 PHE HE1 1 1 6 3223 1 1 27 PHE HE2 H 1.453 -4.767 6.886 1.00 . A A . 71 PHE HE2 1 1 6 3224 1 1 27 PHE HZ H 1.305 -6.647 5.278 1.00 . A A . 71 PHE HZ 1 1 6 3225 1 1 27 PHE N N -1.887 -2.015 3.335 1.00 . A A . 71 PHE N 1 1 6 3226 1 1 27 PHE O O -4.392 -0.880 5.013 1.00 . A A . 71 PHE O 1 1 6 3227 1 1 28 CYS C C -7.046 -0.777 4.132 1.00 . A A . 72 CYS C 1 1 6 3228 1 1 28 CYS CA C -6.097 -0.549 2.953 1.00 . A A . 72 CYS CA 1 1 6 3229 1 1 28 CYS CB C -6.814 -0.822 1.632 1.00 . A A . 72 CYS CB 1 1 6 3230 1 1 28 CYS H H -4.799 -2.113 2.231 1.00 . A A . 72 CYS H 1 1 6 3231 1 1 28 CYS HA H -5.719 0.461 2.965 1.00 . A A . 72 CYS HA 1 1 6 3232 1 1 28 CYS HB2 H -7.290 -1.790 1.675 1.00 . A A . 72 CYS HB2 1 1 6 3233 1 1 28 CYS HB3 H -7.562 -0.058 1.464 1.00 . A A . 72 CYS HB3 1 1 6 3234 1 1 28 CYS N N -4.971 -1.527 2.997 1.00 . A A . 72 CYS N 1 1 6 3235 1 1 28 CYS O O -6.800 -1.600 4.992 1.00 . A A . 72 CYS O 1 1 6 3236 1 1 28 CYS SG S -5.619 -0.801 0.273 1.00 . A A . 72 CYS SG 1 1 6 3237 1 1 29 LEU C C -10.201 -1.208 4.878 1.00 . A A . 73 LEU C 1 1 6 3238 1 1 29 LEU CA C -9.101 -0.227 5.294 1.00 . A A . 73 LEU CA 1 1 6 3239 1 1 29 LEU CB C -9.685 1.169 5.535 1.00 . A A . 73 LEU CB 1 1 6 3240 1 1 29 LEU CD1 C -9.175 3.619 5.554 1.00 . A A . 73 LEU CD1 1 1 6 3241 1 1 29 LEU CD2 C -7.612 2.008 6.651 1.00 . A A . 73 LEU CD2 1 1 6 3242 1 1 29 LEU CG C -8.569 2.215 5.474 1.00 . A A . 73 LEU CG 1 1 6 3243 1 1 29 LEU H H -8.310 0.602 3.469 1.00 . A A . 73 LEU H 1 1 6 3244 1 1 29 LEU HA H -8.598 -0.576 6.180 1.00 . A A . 73 LEU HA 1 1 6 3245 1 1 29 LEU HB2 H -10.423 1.385 4.776 1.00 . A A . 73 LEU HB2 1 1 6 3246 1 1 29 LEU HB3 H -10.151 1.201 6.508 1.00 . A A . 73 LEU HB3 1 1 6 3247 1 1 29 LEU HD11 H -9.736 3.718 6.471 1.00 . A A . 73 LEU HD11 1 1 6 3248 1 1 29 LEU HD12 H -8.384 4.355 5.534 1.00 . A A . 73 LEU HD12 1 1 6 3249 1 1 29 LEU HD13 H -9.832 3.776 4.711 1.00 . A A . 73 LEU HD13 1 1 6 3250 1 1 29 LEU HD21 H -7.457 0.950 6.807 1.00 . A A . 73 LEU HD21 1 1 6 3251 1 1 29 LEU HD22 H -6.665 2.482 6.434 1.00 . A A . 73 LEU HD22 1 1 6 3252 1 1 29 LEU HD23 H -8.036 2.445 7.543 1.00 . A A . 73 LEU HD23 1 1 6 3253 1 1 29 LEU HG H -8.027 2.110 4.544 1.00 . A A . 73 LEU HG 1 1 6 3254 1 1 29 LEU N N -8.131 -0.054 4.174 1.00 . A A . 73 LEU N 1 1 6 3255 1 1 29 LEU O O -10.171 -1.746 3.789 1.00 . A A . 73 LEU O 1 1 6 3256 1 1 30 PRO C C -13.081 -1.835 4.287 1.00 . A A . 74 PRO C 1 1 6 3257 1 1 30 PRO CA C -12.263 -2.337 5.480 1.00 . A A . 74 PRO CA 1 1 6 3258 1 1 30 PRO CB C -13.101 -2.315 6.761 1.00 . A A . 74 PRO CB 1 1 6 3259 1 1 30 PRO CD C -11.246 -0.802 7.089 1.00 . A A . 74 PRO CD 1 1 6 3260 1 1 30 PRO CG C -12.230 -1.685 7.805 1.00 . A A . 74 PRO CG 1 1 6 3261 1 1 30 PRO HA H -11.895 -3.331 5.296 1.00 . A A . 74 PRO HA 1 1 6 3262 1 1 30 PRO HB2 H -13.995 -1.723 6.611 1.00 . A A . 74 PRO HB2 1 1 6 3263 1 1 30 PRO HB3 H -13.360 -3.321 7.056 1.00 . A A . 74 PRO HB3 1 1 6 3264 1 1 30 PRO HD2 H -11.627 0.208 7.021 1.00 . A A . 74 PRO HD2 1 1 6 3265 1 1 30 PRO HD3 H -10.288 -0.818 7.585 1.00 . A A . 74 PRO HD3 1 1 6 3266 1 1 30 PRO HG2 H -12.834 -1.096 8.481 1.00 . A A . 74 PRO HG2 1 1 6 3267 1 1 30 PRO HG3 H -11.700 -2.449 8.354 1.00 . A A . 74 PRO HG3 1 1 6 3268 1 1 30 PRO N N -11.141 -1.408 5.762 1.00 . A A . 74 PRO N 1 1 6 3269 1 1 30 PRO O O -13.926 -2.533 3.764 1.00 . A A . 74 PRO O 1 1 6 3270 1 1 31 ALA C C -12.982 -0.563 1.379 1.00 . A A . 75 ALA C 1 1 6 3271 1 1 31 ALA CA C -13.596 -0.080 2.696 1.00 . A A . 75 ALA CA 1 1 6 3272 1 1 31 ALA CB C -13.466 1.437 2.822 1.00 . A A . 75 ALA CB 1 1 6 3273 1 1 31 ALA H H -12.149 -0.085 4.292 1.00 . A A . 75 ALA H 1 1 6 3274 1 1 31 ALA HA H -14.632 -0.368 2.756 1.00 . A A . 75 ALA HA 1 1 6 3275 1 1 31 ALA HB1 H -12.461 1.687 3.131 1.00 . A A . 75 ALA HB1 1 1 6 3276 1 1 31 ALA HB2 H -13.673 1.895 1.866 1.00 . A A . 75 ALA HB2 1 1 6 3277 1 1 31 ALA HB3 H -14.169 1.800 3.556 1.00 . A A . 75 ALA HB3 1 1 6 3278 1 1 31 ALA N N -12.834 -0.630 3.854 1.00 . A A . 75 ALA N 1 1 6 3279 1 1 31 ALA O O -13.678 -0.810 0.414 1.00 . A A . 75 ALA O 1 1 6 3280 1 1 32 PHE C C -10.408 -2.544 0.285 1.00 . A A . 76 PHE C 1 1 6 3281 1 1 32 PHE CA C -11.029 -1.160 0.074 1.00 . A A . 76 PHE CA 1 1 6 3282 1 1 32 PHE CB C -9.943 -0.123 -0.224 1.00 . A A . 76 PHE CB 1 1 6 3283 1 1 32 PHE CD1 C -10.576 1.767 1.319 1.00 . A A . 76 PHE CD1 1 1 6 3284 1 1 32 PHE CD2 C -10.894 2.056 -1.067 1.00 . A A . 76 PHE CD2 1 1 6 3285 1 1 32 PHE CE1 C -11.078 3.055 1.542 1.00 . A A . 76 PHE CE1 1 1 6 3286 1 1 32 PHE CE2 C -11.395 3.344 -0.845 1.00 . A A . 76 PHE CE2 1 1 6 3287 1 1 32 PHE CG C -10.485 1.267 0.015 1.00 . A A . 76 PHE CG 1 1 6 3288 1 1 32 PHE CZ C -11.486 3.844 0.460 1.00 . A A . 76 PHE CZ 1 1 6 3289 1 1 32 PHE H H -11.143 -0.492 2.117 1.00 . A A . 76 PHE H 1 1 6 3290 1 1 32 PHE HA H -11.743 -1.188 -0.730 1.00 . A A . 76 PHE HA 1 1 6 3291 1 1 32 PHE HB2 H -9.095 -0.294 0.423 1.00 . A A . 76 PHE HB2 1 1 6 3292 1 1 32 PHE HB3 H -9.634 -0.215 -1.257 1.00 . A A . 76 PHE HB3 1 1 6 3293 1 1 32 PHE HD1 H -10.261 1.159 2.153 1.00 . A A . 76 PHE HD1 1 1 6 3294 1 1 32 PHE HD2 H -10.822 1.670 -2.074 1.00 . A A . 76 PHE HD2 1 1 6 3295 1 1 32 PHE HE1 H -11.148 3.441 2.548 1.00 . A A . 76 PHE HE1 1 1 6 3296 1 1 32 PHE HE2 H -11.711 3.953 -1.679 1.00 . A A . 76 PHE HE2 1 1 6 3297 1 1 32 PHE HZ H -11.872 4.837 0.631 1.00 . A A . 76 PHE HZ 1 1 6 3298 1 1 32 PHE N N -11.685 -0.697 1.330 1.00 . A A . 76 PHE N 1 1 6 3299 1 1 32 PHE O O -10.615 -3.180 1.299 1.00 . A A . 76 PHE O 1 1 6 3300 1 1 33 GLU C C -7.844 -4.515 -1.485 1.00 . A A . 77 GLU C 1 1 6 3301 1 1 33 GLU CA C -9.016 -4.360 -0.512 1.00 . A A . 77 GLU CA 1 1 6 3302 1 1 33 GLU CB C -10.126 -5.356 -0.847 1.00 . A A . 77 GLU CB 1 1 6 3303 1 1 33 GLU CD C -10.266 -7.831 -0.533 1.00 . A A . 77 GLU CD 1 1 6 3304 1 1 33 GLU CG C -10.127 -6.487 0.184 1.00 . A A . 77 GLU CG 1 1 6 3305 1 1 33 GLU H H -9.490 -2.490 -1.478 1.00 . A A . 77 GLU H 1 1 6 3306 1 1 33 GLU HA H -8.685 -4.507 0.504 1.00 . A A . 77 GLU HA 1 1 6 3307 1 1 33 GLU HB2 H -11.081 -4.850 -0.829 1.00 . A A . 77 GLU HB2 1 1 6 3308 1 1 33 GLU HB3 H -9.955 -5.769 -1.831 1.00 . A A . 77 GLU HB3 1 1 6 3309 1 1 33 GLU HG2 H -9.200 -6.468 0.738 1.00 . A A . 77 GLU HG2 1 1 6 3310 1 1 33 GLU HG3 H -10.956 -6.355 0.861 1.00 . A A . 77 GLU HG3 1 1 6 3311 1 1 33 GLU N N -9.646 -3.016 -0.665 1.00 . A A . 77 GLU N 1 1 6 3312 1 1 33 GLU O O -6.842 -5.128 -1.172 1.00 . A A . 77 GLU O 1 1 6 3313 1 1 33 GLU OE1 O -9.263 -8.328 -1.019 1.00 . A A . 77 GLU OE1 1 1 6 3314 1 1 33 GLU OE2 O -11.373 -8.341 -0.585 1.00 . A A . 77 GLU OE2 1 1 6 3315 1 1 34 GLY C C -5.514 -3.840 -2.959 1.00 . A A . 78 GLY C 1 1 6 3316 1 1 34 GLY CA C -6.854 -4.084 -3.654 1.00 . A A . 78 GLY CA 1 1 6 3317 1 1 34 GLY H H -8.777 -3.477 -2.896 1.00 . A A . 78 GLY H 1 1 6 3318 1 1 34 GLY HA2 H -6.863 -5.076 -4.085 1.00 . A A . 78 GLY HA2 1 1 6 3319 1 1 34 GLY HA3 H -6.991 -3.352 -4.435 1.00 . A A . 78 GLY HA3 1 1 6 3320 1 1 34 GLY N N -7.961 -3.966 -2.662 1.00 . A A . 78 GLY N 1 1 6 3321 1 1 34 GLY O O -5.455 -3.281 -1.883 1.00 . A A . 78 GLY O 1 1 6 3322 1 1 35 ARG C C -2.833 -2.547 -2.758 1.00 . A A . 79 ARG C 1 1 6 3323 1 1 35 ARG CA C -3.098 -4.043 -2.940 1.00 . A A . 79 ARG CA 1 1 6 3324 1 1 35 ARG CB C -2.099 -4.649 -3.926 1.00 . A A . 79 ARG CB 1 1 6 3325 1 1 35 ARG CD C 0.287 -4.000 -4.286 1.00 . A A . 79 ARG CD 1 1 6 3326 1 1 35 ARG CG C -0.700 -4.638 -3.306 1.00 . A A . 79 ARG CG 1 1 6 3327 1 1 35 ARG CZ C 1.607 -5.662 -5.452 1.00 . A A . 79 ARG CZ 1 1 6 3328 1 1 35 ARG H H -4.504 -4.703 -4.435 1.00 . A A . 79 ARG H 1 1 6 3329 1 1 35 ARG HA H -3.041 -4.557 -1.994 1.00 . A A . 79 ARG HA 1 1 6 3330 1 1 35 ARG HB2 H -2.387 -5.667 -4.150 1.00 . A A . 79 ARG HB2 1 1 6 3331 1 1 35 ARG HB3 H -2.093 -4.069 -4.836 1.00 . A A . 79 ARG HB3 1 1 6 3332 1 1 35 ARG HD2 H -0.127 -3.089 -4.697 1.00 . A A . 79 ARG HD2 1 1 6 3333 1 1 35 ARG HD3 H 1.227 -3.799 -3.796 1.00 . A A . 79 ARG HD3 1 1 6 3334 1 1 35 ARG HE H -0.246 -5.201 -5.992 1.00 . A A . 79 ARG HE 1 1 6 3335 1 1 35 ARG HG2 H -0.718 -4.067 -2.389 1.00 . A A . 79 ARG HG2 1 1 6 3336 1 1 35 ARG HG3 H -0.392 -5.651 -3.096 1.00 . A A . 79 ARG HG3 1 1 6 3337 1 1 35 ARG HH11 H 2.723 -4.099 -4.887 1.00 . A A . 79 ARG HH11 1 1 6 3338 1 1 35 ARG HH12 H 3.596 -5.552 -5.245 1.00 . A A . 79 ARG HH12 1 1 6 3339 1 1 35 ARG HH21 H 0.755 -7.376 -6.039 1.00 . A A . 79 ARG HH21 1 1 6 3340 1 1 35 ARG HH22 H 2.481 -7.407 -5.897 1.00 . A A . 79 ARG HH22 1 1 6 3341 1 1 35 ARG N N -4.435 -4.254 -3.567 1.00 . A A . 79 ARG N 1 1 6 3342 1 1 35 ARG NE N 0.478 -5.016 -5.358 1.00 . A A . 79 ARG NE 1 1 6 3343 1 1 35 ARG NH1 N 2.730 -5.057 -5.172 1.00 . A A . 79 ARG NH1 1 1 6 3344 1 1 35 ARG NH2 N 1.615 -6.912 -5.825 1.00 . A A . 79 ARG NH2 1 1 6 3345 1 1 35 ARG O O -1.999 -2.146 -1.971 1.00 . A A . 79 ARG O 1 1 6 3346 1 1 36 ASN C C -4.660 0.446 -3.048 1.00 . A A . 80 ASN C 1 1 6 3347 1 1 36 ASN CA C -3.330 -0.249 -3.348 1.00 . A A . 80 ASN CA 1 1 6 3348 1 1 36 ASN CB C -2.788 0.195 -4.707 1.00 . A A . 80 ASN CB 1 1 6 3349 1 1 36 ASN CG C -1.474 0.954 -4.511 1.00 . A A . 80 ASN CG 1 1 6 3350 1 1 36 ASN H H -4.206 -2.065 -4.107 1.00 . A A . 80 ASN H 1 1 6 3351 1 1 36 ASN HA H -2.609 -0.036 -2.576 1.00 . A A . 80 ASN HA 1 1 6 3352 1 1 36 ASN HB2 H -2.616 -0.673 -5.327 1.00 . A A . 80 ASN HB2 1 1 6 3353 1 1 36 ASN HB3 H -3.506 0.843 -5.186 1.00 . A A . 80 ASN HB3 1 1 6 3354 1 1 36 ASN HD21 H -0.785 -0.316 -3.145 1.00 . A A . 80 ASN HD21 1 1 6 3355 1 1 36 ASN HD22 H 0.251 0.985 -3.524 1.00 . A A . 80 ASN HD22 1 1 6 3356 1 1 36 ASN N N -3.539 -1.720 -3.479 1.00 . A A . 80 ASN N 1 1 6 3357 1 1 36 ASN ND2 N -0.597 0.504 -3.656 1.00 . A A . 80 ASN ND2 1 1 6 3358 1 1 36 ASN O O -4.829 1.622 -3.300 1.00 . A A . 80 ASN O 1 1 6 3359 1 1 36 ASN OD1 O -1.243 1.965 -5.144 1.00 . A A . 80 ASN OD1 1 1 6 3360 1 1 37 CYS C C -7.618 0.773 -3.501 1.00 . A A . 81 CYS C 1 1 6 3361 1 1 37 CYS CA C -6.930 0.340 -2.204 1.00 . A A . 81 CYS CA 1 1 6 3362 1 1 37 CYS CB C -6.622 1.564 -1.334 1.00 . A A . 81 CYS CB 1 1 6 3363 1 1 37 CYS H H -5.452 -1.224 -2.324 1.00 . A A . 81 CYS H 1 1 6 3364 1 1 37 CYS HA H -7.551 -0.354 -1.660 1.00 . A A . 81 CYS HA 1 1 6 3365 1 1 37 CYS HB2 H -6.276 2.371 -1.961 1.00 . A A . 81 CYS HB2 1 1 6 3366 1 1 37 CYS HB3 H -7.522 1.870 -0.821 1.00 . A A . 81 CYS HB3 1 1 6 3367 1 1 37 CYS N N -5.607 -0.275 -2.516 1.00 . A A . 81 CYS N 1 1 6 3368 1 1 37 CYS O O -8.614 1.468 -3.487 1.00 . A A . 81 CYS O 1 1 6 3369 1 1 37 CYS SG S -5.344 1.161 -0.115 1.00 . A A . 81 CYS SG 1 1 6 3370 1 1 38 GLU C C -9.020 0.006 -6.141 1.00 . A A . 82 GLU C 1 1 6 3371 1 1 38 GLU CA C -7.701 0.758 -5.924 1.00 . A A . 82 GLU CA 1 1 6 3372 1 1 38 GLU CB C -6.663 0.360 -6.978 1.00 . A A . 82 GLU CB 1 1 6 3373 1 1 38 GLU CD C -6.312 -0.261 -9.374 1.00 . A A . 82 GLU CD 1 1 6 3374 1 1 38 GLU CG C -7.336 0.224 -8.346 1.00 . A A . 82 GLU CG 1 1 6 3375 1 1 38 GLU H H -6.282 -0.187 -4.610 1.00 . A A . 82 GLU H 1 1 6 3376 1 1 38 GLU HA H -7.866 1.824 -5.958 1.00 . A A . 82 GLU HA 1 1 6 3377 1 1 38 GLU HB2 H -5.895 1.120 -7.030 1.00 . A A . 82 GLU HB2 1 1 6 3378 1 1 38 GLU HB3 H -6.216 -0.586 -6.703 1.00 . A A . 82 GLU HB3 1 1 6 3379 1 1 38 GLU HG2 H -8.146 -0.489 -8.280 1.00 . A A . 82 GLU HG2 1 1 6 3380 1 1 38 GLU HG3 H -7.726 1.183 -8.654 1.00 . A A . 82 GLU HG3 1 1 6 3381 1 1 38 GLU N N -7.088 0.369 -4.623 1.00 . A A . 82 GLU N 1 1 6 3382 1 1 38 GLU O O -9.814 0.362 -6.989 1.00 . A A . 82 GLU O 1 1 6 3383 1 1 38 GLU OE1 O -5.216 -0.611 -8.969 1.00 . A A . 82 GLU OE1 1 1 6 3384 1 1 38 GLU OE2 O -6.642 -0.274 -10.549 1.00 . A A . 82 GLU OE2 1 1 6 3385 1 1 39 THR C C -11.509 -1.451 -4.429 1.00 . A A . 83 THR C 1 1 6 3386 1 1 39 THR CA C -10.530 -1.793 -5.556 1.00 . A A . 83 THR CA 1 1 6 3387 1 1 39 THR CB C -10.123 -3.265 -5.487 1.00 . A A . 83 THR CB 1 1 6 3388 1 1 39 THR CG2 C -11.369 -4.146 -5.585 1.00 . A A . 83 THR CG2 1 1 6 3389 1 1 39 THR H H -8.612 -1.303 -4.703 1.00 . A A . 83 THR H 1 1 6 3390 1 1 39 THR HA H -10.972 -1.577 -6.516 1.00 . A A . 83 THR HA 1 1 6 3391 1 1 39 THR HB H -9.624 -3.458 -4.551 1.00 . A A . 83 THR HB 1 1 6 3392 1 1 39 THR HG1 H -9.197 -4.517 -6.653 1.00 . A A . 83 THR HG1 1 1 6 3393 1 1 39 THR HG21 H -12.229 -3.531 -5.803 1.00 . A A . 83 THR HG21 1 1 6 3394 1 1 39 THR HG22 H -11.236 -4.872 -6.374 1.00 . A A . 83 THR HG22 1 1 6 3395 1 1 39 THR HG23 H -11.522 -4.659 -4.646 1.00 . A A . 83 THR HG23 1 1 6 3396 1 1 39 THR N N -9.261 -1.029 -5.384 1.00 . A A . 83 THR N 1 1 6 3397 1 1 39 THR O O -11.836 -2.280 -3.604 1.00 . A A . 83 THR O 1 1 6 3398 1 1 39 THR OG1 O -9.244 -3.562 -6.563 1.00 . A A . 83 THR OG1 1 1 6 3399 1 1 40 HIS C C -14.078 -0.853 -3.229 1.00 . A A . 84 HIS C 1 1 6 3400 1 1 40 HIS CA C -12.936 0.161 -3.318 1.00 . A A . 84 HIS CA 1 1 6 3401 1 1 40 HIS CB C -13.466 1.530 -3.744 1.00 . A A . 84 HIS CB 1 1 6 3402 1 1 40 HIS CD2 C -14.469 1.753 -1.326 1.00 . A A . 84 HIS CD2 1 1 6 3403 1 1 40 HIS CE1 C -15.768 3.451 -1.679 1.00 . A A . 84 HIS CE1 1 1 6 3404 1 1 40 HIS CG C -14.316 2.104 -2.645 1.00 . A A . 84 HIS CG 1 1 6 3405 1 1 40 HIS H H -11.702 0.420 -5.065 1.00 . A A . 84 HIS H 1 1 6 3406 1 1 40 HIS HA H -12.427 0.242 -2.370 1.00 . A A . 84 HIS HA 1 1 6 3407 1 1 40 HIS HB2 H -12.636 2.193 -3.941 1.00 . A A . 84 HIS HB2 1 1 6 3408 1 1 40 HIS HB3 H -14.061 1.424 -4.640 1.00 . A A . 84 HIS HB3 1 1 6 3409 1 1 40 HIS HD1 H -15.277 3.677 -3.688 1.00 . A A . 84 HIS HD1 1 1 6 3410 1 1 40 HIS HD2 H -13.956 0.939 -0.836 1.00 . A A . 84 HIS HD2 1 1 6 3411 1 1 40 HIS HE1 H -16.483 4.248 -1.535 1.00 . A A . 84 HIS HE1 1 1 6 3412 1 1 40 HIS N N -11.979 -0.234 -4.390 1.00 . A A . 84 HIS N 1 1 6 3413 1 1 40 HIS ND1 N -15.154 3.189 -2.847 1.00 . A A . 84 HIS ND1 1 1 6 3414 1 1 40 HIS NE2 N -15.387 2.604 -0.718 1.00 . A A . 84 HIS NE2 1 1 6 3415 1 1 40 HIS O O -14.934 -0.916 -4.090 1.00 . A A . 84 HIS O 1 1 6 3416 1 1 41 LYS C C -16.534 -2.046 -2.428 1.00 . A A . 85 LYS C 1 1 6 3417 1 1 41 LYS CA C -15.184 -2.660 -2.048 1.00 . A A . 85 LYS CA 1 1 6 3418 1 1 41 LYS CB C -15.168 -3.045 -0.569 1.00 . A A . 85 LYS CB 1 1 6 3419 1 1 41 LYS CD C -13.680 -3.834 1.277 1.00 . A A . 85 LYS CD 1 1 6 3420 1 1 41 LYS CE C -14.207 -5.178 1.787 1.00 . A A . 85 LYS CE 1 1 6 3421 1 1 41 LYS CG C -13.856 -3.760 -0.241 1.00 . A A . 85 LYS CG 1 1 6 3422 1 1 41 LYS H H -13.396 -1.581 -1.513 1.00 . A A . 85 LYS H 1 1 6 3423 1 1 41 LYS HA H -14.978 -3.526 -2.657 1.00 . A A . 85 LYS HA 1 1 6 3424 1 1 41 LYS HB2 H -15.254 -2.152 0.036 1.00 . A A . 85 LYS HB2 1 1 6 3425 1 1 41 LYS HB3 H -15.997 -3.706 -0.360 1.00 . A A . 85 LYS HB3 1 1 6 3426 1 1 41 LYS HD2 H -12.633 -3.739 1.523 1.00 . A A . 85 LYS HD2 1 1 6 3427 1 1 41 LYS HD3 H -14.234 -3.032 1.743 1.00 . A A . 85 LYS HD3 1 1 6 3428 1 1 41 LYS HE2 H -13.670 -5.991 1.322 1.00 . A A . 85 LYS HE2 1 1 6 3429 1 1 41 LYS HE3 H -14.120 -5.233 2.861 1.00 . A A . 85 LYS HE3 1 1 6 3430 1 1 41 LYS HG2 H -13.880 -4.760 -0.651 1.00 . A A . 85 LYS HG2 1 1 6 3431 1 1 41 LYS HG3 H -13.030 -3.214 -0.671 1.00 . A A . 85 LYS HG3 1 1 6 3432 1 1 41 LYS HZ1 H -16.065 -4.268 1.559 1.00 . A A . 85 LYS HZ1 1 1 6 3433 1 1 41 LYS HZ2 H -15.718 -5.442 0.382 1.00 . A A . 85 LYS HZ2 1 1 6 3434 1 1 41 LYS HZ3 H -16.145 -5.919 1.953 1.00 . A A . 85 LYS HZ3 1 1 6 3435 1 1 41 LYS N N -14.098 -1.648 -2.195 1.00 . A A . 85 LYS N 1 1 6 3436 1 1 41 LYS NZ N -15.642 -5.204 1.390 1.00 . A A . 85 LYS NZ 1 1 6 3437 1 1 41 LYS O O -16.751 -0.891 -2.101 1.00 . A A . 85 LYS O 1 1 6 3438 1 1 41 LYS OXT O -17.328 -2.742 -3.040 1.00 . A A . 85 LYS OXT 1 1 7 3439 1 1 1 SER C C 15.228 -3.215 -6.477 1.00 . A A . 45 SER C 1 1 7 3440 1 1 1 SER CA C 16.288 -3.739 -5.503 1.00 . A A . 45 SER CA 1 1 7 3441 1 1 1 SER CB C 15.784 -3.653 -4.064 1.00 . A A . 45 SER CB 1 1 7 3442 1 1 1 SER H1 H 17.235 -1.923 -5.887 1.00 . A A . 45 SER H1 1 1 7 3443 1 1 1 SER H2 H 17.897 -2.786 -4.586 1.00 . A A . 45 SER H2 1 1 7 3444 1 1 1 SER H3 H 18.205 -3.287 -6.180 1.00 . A A . 45 SER H3 1 1 7 3445 1 1 1 SER HA H 16.549 -4.758 -5.743 1.00 . A A . 45 SER HA 1 1 7 3446 1 1 1 SER HB2 H 14.816 -4.119 -3.991 1.00 . A A . 45 SER HB2 1 1 7 3447 1 1 1 SER HB3 H 16.478 -4.165 -3.410 1.00 . A A . 45 SER HB3 1 1 7 3448 1 1 1 SER HG H 14.758 -2.023 -3.787 1.00 . A A . 45 SER HG 1 1 7 3449 1 1 1 SER N N 17.498 -2.868 -5.542 1.00 . A A . 45 SER N 1 1 7 3450 1 1 1 SER O O 14.807 -3.907 -7.383 1.00 . A A . 45 SER O 1 1 7 3451 1 1 1 SER OG O 15.676 -2.287 -3.685 1.00 . A A . 45 SER OG 1 1 7 3452 1 1 2 ASP C C 13.717 0.094 -7.076 1.00 . A A . 46 ASP C 1 1 7 3453 1 1 2 ASP CA C 13.763 -1.431 -7.211 1.00 . A A . 46 ASP CA 1 1 7 3454 1 1 2 ASP CB C 12.443 -2.051 -6.752 1.00 . A A . 46 ASP CB 1 1 7 3455 1 1 2 ASP CG C 11.449 -2.057 -7.916 1.00 . A A . 46 ASP CG 1 1 7 3456 1 1 2 ASP H H 15.148 -1.456 -5.559 1.00 . A A . 46 ASP H 1 1 7 3457 1 1 2 ASP HA H 13.968 -1.713 -8.232 1.00 . A A . 46 ASP HA 1 1 7 3458 1 1 2 ASP HB2 H 12.617 -3.064 -6.422 1.00 . A A . 46 ASP HB2 1 1 7 3459 1 1 2 ASP HB3 H 12.036 -1.471 -5.938 1.00 . A A . 46 ASP HB3 1 1 7 3460 1 1 2 ASP N N 14.795 -1.997 -6.296 1.00 . A A . 46 ASP N 1 1 7 3461 1 1 2 ASP O O 13.581 0.809 -8.048 1.00 . A A . 46 ASP O 1 1 7 3462 1 1 2 ASP OD1 O 11.841 -2.455 -9.001 1.00 . A A . 46 ASP OD1 1 1 7 3463 1 1 2 ASP OD2 O 10.314 -1.663 -7.703 1.00 . A A . 46 ASP OD2 1 1 7 3464 1 1 3 GLY C C 12.951 2.405 -4.447 1.00 . A A . 47 GLY C 1 1 7 3465 1 1 3 GLY CA C 13.792 2.072 -5.681 1.00 . A A . 47 GLY CA 1 1 7 3466 1 1 3 GLY H H 13.937 0.002 -5.105 1.00 . A A . 47 GLY H 1 1 7 3467 1 1 3 GLY HA2 H 14.798 2.442 -5.543 1.00 . A A . 47 GLY HA2 1 1 7 3468 1 1 3 GLY HA3 H 13.351 2.541 -6.548 1.00 . A A . 47 GLY HA3 1 1 7 3469 1 1 3 GLY N N 13.829 0.596 -5.876 1.00 . A A . 47 GLY N 1 1 7 3470 1 1 3 GLY O O 12.207 3.366 -4.432 1.00 . A A . 47 GLY O 1 1 7 3471 1 1 4 ASP C C 10.779 1.866 -2.510 1.00 . A A . 48 ASP C 1 1 7 3472 1 1 4 ASP CA C 12.266 1.870 -2.186 1.00 . A A . 48 ASP CA 1 1 7 3473 1 1 4 ASP CB C 12.700 3.243 -1.698 1.00 . A A . 48 ASP CB 1 1 7 3474 1 1 4 ASP CG C 13.926 3.102 -0.794 1.00 . A A . 48 ASP CG 1 1 7 3475 1 1 4 ASP H H 13.650 0.841 -3.448 1.00 . A A . 48 ASP H 1 1 7 3476 1 1 4 ASP HA H 12.488 1.128 -1.437 1.00 . A A . 48 ASP HA 1 1 7 3477 1 1 4 ASP HB2 H 12.944 3.863 -2.545 1.00 . A A . 48 ASP HB2 1 1 7 3478 1 1 4 ASP HB3 H 11.891 3.685 -1.140 1.00 . A A . 48 ASP HB3 1 1 7 3479 1 1 4 ASP N N 13.056 1.611 -3.414 1.00 . A A . 48 ASP N 1 1 7 3480 1 1 4 ASP O O 10.287 2.670 -3.277 1.00 . A A . 48 ASP O 1 1 7 3481 1 1 4 ASP OD1 O 13.756 2.688 0.342 1.00 . A A . 48 ASP OD1 1 1 7 3482 1 1 4 ASP OD2 O 15.013 3.411 -1.251 1.00 . A A . 48 ASP OD2 1 1 7 3483 1 1 5 GLN C C 7.875 2.022 -1.477 1.00 . A A . 49 GLN C 1 1 7 3484 1 1 5 GLN CA C 8.603 0.870 -2.173 1.00 . A A . 49 GLN CA 1 1 7 3485 1 1 5 GLN CB C 8.179 -0.467 -1.575 1.00 . A A . 49 GLN CB 1 1 7 3486 1 1 5 GLN CD C 9.014 -1.568 -3.647 1.00 . A A . 49 GLN CD 1 1 7 3487 1 1 5 GLN CG C 9.072 -1.582 -2.121 1.00 . A A . 49 GLN CG 1 1 7 3488 1 1 5 GLN H H 10.510 0.335 -1.317 1.00 . A A . 49 GLN H 1 1 7 3489 1 1 5 GLN HA H 8.399 0.877 -3.226 1.00 . A A . 49 GLN HA 1 1 7 3490 1 1 5 GLN HB2 H 8.274 -0.422 -0.509 1.00 . A A . 49 GLN HB2 1 1 7 3491 1 1 5 GLN HB3 H 7.151 -0.670 -1.839 1.00 . A A . 49 GLN HB3 1 1 7 3492 1 1 5 GLN HE21 H 7.255 -0.644 -3.704 1.00 . A A . 49 GLN HE21 1 1 7 3493 1 1 5 GLN HE22 H 7.938 -1.016 -5.218 1.00 . A A . 49 GLN HE22 1 1 7 3494 1 1 5 GLN HG2 H 10.089 -1.422 -1.795 1.00 . A A . 49 GLN HG2 1 1 7 3495 1 1 5 GLN HG3 H 8.722 -2.536 -1.757 1.00 . A A . 49 GLN HG3 1 1 7 3496 1 1 5 GLN N N 10.070 0.960 -1.924 1.00 . A A . 49 GLN N 1 1 7 3497 1 1 5 GLN NE2 N 7.983 -1.033 -4.239 1.00 . A A . 49 GLN NE2 1 1 7 3498 1 1 5 GLN O O 7.194 2.807 -2.105 1.00 . A A . 49 GLN O 1 1 7 3499 1 1 5 GLN OE1 O 9.913 -2.050 -4.306 1.00 . A A . 49 GLN OE1 1 1 7 3500 1 1 6 CYS C C 8.133 4.527 0.434 1.00 . A A . 50 CYS C 1 1 7 3501 1 1 6 CYS CA C 7.330 3.229 0.553 1.00 . A A . 50 CYS CA 1 1 7 3502 1 1 6 CYS CB C 7.280 2.760 2.007 1.00 . A A . 50 CYS CB 1 1 7 3503 1 1 6 CYS H H 8.568 1.482 0.302 1.00 . A A . 50 CYS H 1 1 7 3504 1 1 6 CYS HA H 6.328 3.369 0.177 1.00 . A A . 50 CYS HA 1 1 7 3505 1 1 6 CYS HB2 H 7.335 1.682 2.040 1.00 . A A . 50 CYS HB2 1 1 7 3506 1 1 6 CYS HB3 H 8.115 3.179 2.549 1.00 . A A . 50 CYS HB3 1 1 7 3507 1 1 6 CYS N N 8.014 2.128 -0.185 1.00 . A A . 50 CYS N 1 1 7 3508 1 1 6 CYS O O 8.753 4.973 1.379 1.00 . A A . 50 CYS O 1 1 7 3509 1 1 6 CYS SG S 5.732 3.309 2.766 1.00 . A A . 50 CYS SG 1 1 7 3510 1 1 7 ALA C C 7.946 7.608 -0.800 1.00 . A A . 51 ALA C 1 1 7 3511 1 1 7 ALA CA C 8.890 6.407 -0.896 1.00 . A A . 51 ALA CA 1 1 7 3512 1 1 7 ALA CB C 9.499 6.312 -2.294 1.00 . A A . 51 ALA CB 1 1 7 3513 1 1 7 ALA H H 7.620 4.763 -1.470 1.00 . A A . 51 ALA H 1 1 7 3514 1 1 7 ALA HA H 9.673 6.482 -0.157 1.00 . A A . 51 ALA HA 1 1 7 3515 1 1 7 ALA HB1 H 9.362 5.313 -2.680 1.00 . A A . 51 ALA HB1 1 1 7 3516 1 1 7 ALA HB2 H 9.011 7.020 -2.948 1.00 . A A . 51 ALA HB2 1 1 7 3517 1 1 7 ALA HB3 H 10.554 6.537 -2.243 1.00 . A A . 51 ALA HB3 1 1 7 3518 1 1 7 ALA N N 8.127 5.137 -0.720 1.00 . A A . 51 ALA N 1 1 7 3519 1 1 7 ALA O O 8.245 8.596 -0.160 1.00 . A A . 51 ALA O 1 1 7 3520 1 1 8 SER C C 4.425 8.149 -1.128 1.00 . A A . 52 SER C 1 1 7 3521 1 1 8 SER CA C 5.844 8.667 -1.378 1.00 . A A . 52 SER CA 1 1 7 3522 1 1 8 SER CB C 5.938 9.332 -2.751 1.00 . A A . 52 SER CB 1 1 7 3523 1 1 8 SER H H 6.583 6.724 -1.944 1.00 . A A . 52 SER H 1 1 7 3524 1 1 8 SER HA H 6.131 9.368 -0.609 1.00 . A A . 52 SER HA 1 1 7 3525 1 1 8 SER HB2 H 6.583 8.753 -3.390 1.00 . A A . 52 SER HB2 1 1 7 3526 1 1 8 SER HB3 H 4.950 9.385 -3.192 1.00 . A A . 52 SER HB3 1 1 7 3527 1 1 8 SER HG H 5.780 11.270 -2.801 1.00 . A A . 52 SER HG 1 1 7 3528 1 1 8 SER N N 6.807 7.530 -1.433 1.00 . A A . 52 SER N 1 1 7 3529 1 1 8 SER O O 3.489 8.520 -1.808 1.00 . A A . 52 SER O 1 1 7 3530 1 1 8 SER OG O 6.476 10.639 -2.604 1.00 . A A . 52 SER OG 1 1 7 3531 1 1 9 SER C C 2.339 6.035 -1.094 1.00 . A A . 53 SER C 1 1 7 3532 1 1 9 SER CA C 2.901 6.750 0.136 1.00 . A A . 53 SER CA 1 1 7 3533 1 1 9 SER CB C 2.053 7.974 0.481 1.00 . A A . 53 SER CB 1 1 7 3534 1 1 9 SER H H 5.028 7.006 0.379 1.00 . A A . 53 SER H 1 1 7 3535 1 1 9 SER HA H 2.938 6.079 0.979 1.00 . A A . 53 SER HA 1 1 7 3536 1 1 9 SER HB2 H 1.930 8.588 -0.396 1.00 . A A . 53 SER HB2 1 1 7 3537 1 1 9 SER HB3 H 1.081 7.648 0.829 1.00 . A A . 53 SER HB3 1 1 7 3538 1 1 9 SER HG H 3.597 8.921 1.191 1.00 . A A . 53 SER HG 1 1 7 3539 1 1 9 SER N N 4.259 7.293 -0.157 1.00 . A A . 53 SER N 1 1 7 3540 1 1 9 SER O O 1.502 6.570 -1.797 1.00 . A A . 53 SER O 1 1 7 3541 1 1 9 SER OG O 2.706 8.727 1.493 1.00 . A A . 53 SER OG 1 1 7 3542 1 1 10 PRO C C 0.955 3.491 -2.218 1.00 . A A . 54 PRO C 1 1 7 3543 1 1 10 PRO CA C 2.363 4.036 -2.472 1.00 . A A . 54 PRO CA 1 1 7 3544 1 1 10 PRO CB C 3.376 2.897 -2.544 1.00 . A A . 54 PRO CB 1 1 7 3545 1 1 10 PRO CD C 3.828 4.142 -0.512 1.00 . A A . 54 PRO CD 1 1 7 3546 1 1 10 PRO CG C 3.947 2.788 -1.164 1.00 . A A . 54 PRO CG 1 1 7 3547 1 1 10 PRO HA H 2.393 4.618 -3.380 1.00 . A A . 54 PRO HA 1 1 7 3548 1 1 10 PRO HB2 H 2.881 1.976 -2.821 1.00 . A A . 54 PRO HB2 1 1 7 3549 1 1 10 PRO HB3 H 4.158 3.133 -3.249 1.00 . A A . 54 PRO HB3 1 1 7 3550 1 1 10 PRO HD2 H 3.495 4.037 0.512 1.00 . A A . 54 PRO HD2 1 1 7 3551 1 1 10 PRO HD3 H 4.769 4.667 -0.555 1.00 . A A . 54 PRO HD3 1 1 7 3552 1 1 10 PRO HG2 H 3.393 2.054 -0.595 1.00 . A A . 54 PRO HG2 1 1 7 3553 1 1 10 PRO HG3 H 4.987 2.502 -1.218 1.00 . A A . 54 PRO HG3 1 1 7 3554 1 1 10 PRO N N 2.820 4.842 -1.314 1.00 . A A . 54 PRO N 1 1 7 3555 1 1 10 PRO O O 0.392 2.796 -3.040 1.00 . A A . 54 PRO O 1 1 7 3556 1 1 11 CYS C C -2.001 4.424 -0.873 1.00 . A A . 55 CYS C 1 1 7 3557 1 1 11 CYS CA C -0.981 3.285 -0.775 1.00 . A A . 55 CYS CA 1 1 7 3558 1 1 11 CYS CB C -0.907 2.760 0.665 1.00 . A A . 55 CYS CB 1 1 7 3559 1 1 11 CYS H H 0.862 4.351 -0.432 1.00 . A A . 55 CYS H 1 1 7 3560 1 1 11 CYS HA H -1.245 2.484 -1.446 1.00 . A A . 55 CYS HA 1 1 7 3561 1 1 11 CYS HB2 H -0.985 3.589 1.354 1.00 . A A . 55 CYS HB2 1 1 7 3562 1 1 11 CYS HB3 H -1.724 2.072 0.837 1.00 . A A . 55 CYS HB3 1 1 7 3563 1 1 11 CYS N N 0.387 3.794 -1.084 1.00 . A A . 55 CYS N 1 1 7 3564 1 1 11 CYS O O -1.645 5.586 -0.889 1.00 . A A . 55 CYS O 1 1 7 3565 1 1 11 CYS SG S 0.669 1.902 0.941 1.00 . A A . 55 CYS SG 1 1 7 3566 1 1 12 GLN C C -5.529 4.789 -0.206 1.00 . A A . 56 GLN C 1 1 7 3567 1 1 12 GLN CA C -4.300 5.166 -1.033 1.00 . A A . 56 GLN CA 1 1 7 3568 1 1 12 GLN CB C -4.667 5.244 -2.514 1.00 . A A . 56 GLN CB 1 1 7 3569 1 1 12 GLN CD C -3.732 5.495 -4.817 1.00 . A A . 56 GLN CD 1 1 7 3570 1 1 12 GLN CG C -3.429 5.629 -3.322 1.00 . A A . 56 GLN CG 1 1 7 3571 1 1 12 GLN H H -3.530 3.161 -0.922 1.00 . A A . 56 GLN H 1 1 7 3572 1 1 12 GLN HA H -3.900 6.108 -0.703 1.00 . A A . 56 GLN HA 1 1 7 3573 1 1 12 GLN HB2 H -5.033 4.284 -2.846 1.00 . A A . 56 GLN HB2 1 1 7 3574 1 1 12 GLN HB3 H -5.433 5.991 -2.656 1.00 . A A . 56 GLN HB3 1 1 7 3575 1 1 12 GLN HE21 H -4.125 3.549 -4.704 1.00 . A A . 56 GLN HE21 1 1 7 3576 1 1 12 GLN HE22 H -4.264 4.235 -6.259 1.00 . A A . 56 GLN HE22 1 1 7 3577 1 1 12 GLN HG2 H -3.161 6.651 -3.098 1.00 . A A . 56 GLN HG2 1 1 7 3578 1 1 12 GLN HG3 H -2.612 4.974 -3.062 1.00 . A A . 56 GLN HG3 1 1 7 3579 1 1 12 GLN N N -3.264 4.101 -0.938 1.00 . A A . 56 GLN N 1 1 7 3580 1 1 12 GLN NE2 N -4.067 4.330 -5.299 1.00 . A A . 56 GLN NE2 1 1 7 3581 1 1 12 GLN O O -5.550 3.784 0.476 1.00 . A A . 56 GLN O 1 1 7 3582 1 1 12 GLN OE1 O -3.661 6.459 -5.552 1.00 . A A . 56 GLN OE1 1 1 7 3583 1 1 13 ASN C C -7.453 5.085 1.985 1.00 . A A . 57 ASN C 1 1 7 3584 1 1 13 ASN CA C -7.793 5.281 0.505 1.00 . A A . 57 ASN CA 1 1 7 3585 1 1 13 ASN CB C -8.333 3.979 -0.097 1.00 . A A . 57 ASN CB 1 1 7 3586 1 1 13 ASN CG C -8.174 4.007 -1.620 1.00 . A A . 57 ASN CG 1 1 7 3587 1 1 13 ASN H H -6.515 6.391 -0.832 1.00 . A A . 57 ASN H 1 1 7 3588 1 1 13 ASN HA H -8.517 6.071 0.386 1.00 . A A . 57 ASN HA 1 1 7 3589 1 1 13 ASN HB2 H -7.783 3.142 0.306 1.00 . A A . 57 ASN HB2 1 1 7 3590 1 1 13 ASN HB3 H -9.378 3.876 0.151 1.00 . A A . 57 ASN HB3 1 1 7 3591 1 1 13 ASN HD21 H -9.710 5.238 -1.901 1.00 . A A . 57 ASN HD21 1 1 7 3592 1 1 13 ASN HD22 H -8.894 4.748 -3.317 1.00 . A A . 57 ASN HD22 1 1 7 3593 1 1 13 ASN N N -6.556 5.588 -0.270 1.00 . A A . 57 ASN N 1 1 7 3594 1 1 13 ASN ND2 N -8.995 4.723 -2.339 1.00 . A A . 57 ASN ND2 1 1 7 3595 1 1 13 ASN O O -7.980 4.210 2.643 1.00 . A A . 57 ASN O 1 1 7 3596 1 1 13 ASN OD1 O -7.293 3.373 -2.162 1.00 . A A . 57 ASN OD1 1 1 7 3597 1 1 14 GLY C C -5.628 4.367 4.203 1.00 . A A . 58 GLY C 1 1 7 3598 1 1 14 GLY CA C -6.205 5.761 3.948 1.00 . A A . 58 GLY CA 1 1 7 3599 1 1 14 GLY H H -6.168 6.596 1.962 1.00 . A A . 58 GLY H 1 1 7 3600 1 1 14 GLY HA2 H -5.467 6.510 4.198 1.00 . A A . 58 GLY HA2 1 1 7 3601 1 1 14 GLY HA3 H -7.082 5.901 4.562 1.00 . A A . 58 GLY HA3 1 1 7 3602 1 1 14 GLY N N -6.578 5.896 2.512 1.00 . A A . 58 GLY N 1 1 7 3603 1 1 14 GLY O O -5.791 3.805 5.268 1.00 . A A . 58 GLY O 1 1 7 3604 1 1 15 GLY C C -2.942 2.587 3.982 1.00 . A A . 59 GLY C 1 1 7 3605 1 1 15 GLY CA C -4.365 2.449 3.435 1.00 . A A . 59 GLY CA 1 1 7 3606 1 1 15 GLY H H -4.828 4.274 2.387 1.00 . A A . 59 GLY H 1 1 7 3607 1 1 15 GLY HA2 H -4.971 1.894 4.139 1.00 . A A . 59 GLY HA2 1 1 7 3608 1 1 15 GLY HA3 H -4.336 1.926 2.489 1.00 . A A . 59 GLY HA3 1 1 7 3609 1 1 15 GLY N N -4.952 3.805 3.239 1.00 . A A . 59 GLY N 1 1 7 3610 1 1 15 GLY O O -2.250 3.544 3.700 1.00 . A A . 59 GLY O 1 1 7 3611 1 1 16 SER C C -0.096 1.275 4.283 1.00 . A A . 60 SER C 1 1 7 3612 1 1 16 SER CA C -1.123 1.720 5.328 1.00 . A A . 60 SER CA 1 1 7 3613 1 1 16 SER CB C -1.126 0.762 6.518 1.00 . A A . 60 SER CB 1 1 7 3614 1 1 16 SER H H -3.075 0.876 4.979 1.00 . A A . 60 SER H 1 1 7 3615 1 1 16 SER HA H -0.911 2.723 5.662 1.00 . A A . 60 SER HA 1 1 7 3616 1 1 16 SER HB2 H -2.094 0.295 6.604 1.00 . A A . 60 SER HB2 1 1 7 3617 1 1 16 SER HB3 H -0.373 -0.001 6.366 1.00 . A A . 60 SER HB3 1 1 7 3618 1 1 16 SER HG H -0.278 2.226 7.478 1.00 . A A . 60 SER HG 1 1 7 3619 1 1 16 SER N N -2.500 1.639 4.763 1.00 . A A . 60 SER N 1 1 7 3620 1 1 16 SER O O -0.445 0.815 3.214 1.00 . A A . 60 SER O 1 1 7 3621 1 1 16 SER OG O -0.850 1.490 7.707 1.00 . A A . 60 SER OG 1 1 7 3622 1 1 17 CYS C C 3.202 0.027 4.259 1.00 . A A . 61 CYS C 1 1 7 3623 1 1 17 CYS CA C 2.212 0.994 3.603 1.00 . A A . 61 CYS CA 1 1 7 3624 1 1 17 CYS CB C 2.917 2.291 3.203 1.00 . A A . 61 CYS CB 1 1 7 3625 1 1 17 CYS H H 1.428 1.782 5.450 1.00 . A A . 61 CYS H 1 1 7 3626 1 1 17 CYS HA H 1.759 0.539 2.738 1.00 . A A . 61 CYS HA 1 1 7 3627 1 1 17 CYS HB2 H 2.247 2.900 2.615 1.00 . A A . 61 CYS HB2 1 1 7 3628 1 1 17 CYS HB3 H 3.209 2.831 4.091 1.00 . A A . 61 CYS HB3 1 1 7 3629 1 1 17 CYS N N 1.167 1.409 4.583 1.00 . A A . 61 CYS N 1 1 7 3630 1 1 17 CYS O O 4.067 0.427 5.013 1.00 . A A . 61 CYS O 1 1 7 3631 1 1 17 CYS SG S 4.389 1.899 2.226 1.00 . A A . 61 CYS SG 1 1 7 3632 1 1 18 LYS C C 5.293 -2.333 3.727 1.00 . A A . 62 LYS C 1 1 7 3633 1 1 18 LYS CA C 4.029 -2.227 4.580 1.00 . A A . 62 LYS CA 1 1 7 3634 1 1 18 LYS CB C 3.276 -3.557 4.580 1.00 . A A . 62 LYS CB 1 1 7 3635 1 1 18 LYS CD C 3.128 -5.102 6.539 1.00 . A A . 62 LYS CD 1 1 7 3636 1 1 18 LYS CE C 3.979 -5.680 7.671 1.00 . A A . 62 LYS CE 1 1 7 3637 1 1 18 LYS CG C 4.041 -4.573 5.431 1.00 . A A . 62 LYS CG 1 1 7 3638 1 1 18 LYS H H 2.384 -1.543 3.359 1.00 . A A . 62 LYS H 1 1 7 3639 1 1 18 LYS HA H 4.276 -1.942 5.590 1.00 . A A . 62 LYS HA 1 1 7 3640 1 1 18 LYS HB2 H 2.289 -3.412 4.991 1.00 . A A . 62 LYS HB2 1 1 7 3641 1 1 18 LYS HB3 H 3.199 -3.926 3.570 1.00 . A A . 62 LYS HB3 1 1 7 3642 1 1 18 LYS HD2 H 2.521 -4.293 6.921 1.00 . A A . 62 LYS HD2 1 1 7 3643 1 1 18 LYS HD3 H 2.489 -5.876 6.141 1.00 . A A . 62 LYS HD3 1 1 7 3644 1 1 18 LYS HE2 H 5.032 -5.547 7.454 1.00 . A A . 62 LYS HE2 1 1 7 3645 1 1 18 LYS HE3 H 3.726 -5.213 8.610 1.00 . A A . 62 LYS HE3 1 1 7 3646 1 1 18 LYS HG2 H 4.364 -5.394 4.807 1.00 . A A . 62 LYS HG2 1 1 7 3647 1 1 18 LYS HG3 H 4.903 -4.097 5.874 1.00 . A A . 62 LYS HG3 1 1 7 3648 1 1 18 LYS HZ1 H 3.534 -7.488 6.739 1.00 . A A . 62 LYS HZ1 1 1 7 3649 1 1 18 LYS HZ2 H 4.387 -7.652 8.199 1.00 . A A . 62 LYS HZ2 1 1 7 3650 1 1 18 LYS HZ3 H 2.738 -7.257 8.221 1.00 . A A . 62 LYS HZ3 1 1 7 3651 1 1 18 LYS N N 3.087 -1.241 3.974 1.00 . A A . 62 LYS N 1 1 7 3652 1 1 18 LYS NZ N 3.633 -7.128 7.711 1.00 . A A . 62 LYS NZ 1 1 7 3653 1 1 18 LYS O O 5.242 -2.288 2.514 1.00 . A A . 62 LYS O 1 1 7 3654 1 1 19 ASP C C 8.321 -3.965 3.763 1.00 . A A . 63 ASP C 1 1 7 3655 1 1 19 ASP CA C 7.695 -2.581 3.573 1.00 . A A . 63 ASP CA 1 1 7 3656 1 1 19 ASP CB C 8.607 -1.497 4.149 1.00 . A A . 63 ASP CB 1 1 7 3657 1 1 19 ASP CG C 9.744 -1.212 3.167 1.00 . A A . 63 ASP CG 1 1 7 3658 1 1 19 ASP H H 6.449 -2.509 5.330 1.00 . A A . 63 ASP H 1 1 7 3659 1 1 19 ASP HA H 7.513 -2.391 2.528 1.00 . A A . 63 ASP HA 1 1 7 3660 1 1 19 ASP HB2 H 8.034 -0.596 4.310 1.00 . A A . 63 ASP HB2 1 1 7 3661 1 1 19 ASP HB3 H 9.021 -1.835 5.087 1.00 . A A . 63 ASP HB3 1 1 7 3662 1 1 19 ASP N N 6.429 -2.474 4.351 1.00 . A A . 63 ASP N 1 1 7 3663 1 1 19 ASP O O 8.788 -4.305 4.833 1.00 . A A . 63 ASP O 1 1 7 3664 1 1 19 ASP OD1 O 9.452 -0.960 2.009 1.00 . A A . 63 ASP OD1 1 1 7 3665 1 1 19 ASP OD2 O 10.889 -1.250 3.589 1.00 . A A . 63 ASP OD2 1 1 7 3666 1 1 20 GLN C C 10.297 -6.164 2.136 1.00 . A A . 64 GLN C 1 1 7 3667 1 1 20 GLN CA C 8.943 -6.127 2.854 1.00 . A A . 64 GLN CA 1 1 7 3668 1 1 20 GLN CB C 7.959 -7.125 2.205 1.00 . A A . 64 GLN CB 1 1 7 3669 1 1 20 GLN CD C 5.732 -7.455 1.112 1.00 . A A . 64 GLN CD 1 1 7 3670 1 1 20 GLN CG C 6.701 -6.417 1.680 1.00 . A A . 64 GLN CG 1 1 7 3671 1 1 20 GLN H H 7.961 -4.467 1.877 1.00 . A A . 64 GLN H 1 1 7 3672 1 1 20 GLN HA H 9.076 -6.376 3.896 1.00 . A A . 64 GLN HA 1 1 7 3673 1 1 20 GLN HB2 H 8.452 -7.623 1.384 1.00 . A A . 64 GLN HB2 1 1 7 3674 1 1 20 GLN HB3 H 7.669 -7.862 2.940 1.00 . A A . 64 GLN HB3 1 1 7 3675 1 1 20 GLN HE21 H 5.101 -8.047 2.902 1.00 . A A . 64 GLN HE21 1 1 7 3676 1 1 20 GLN HE22 H 4.388 -8.846 1.574 1.00 . A A . 64 GLN HE22 1 1 7 3677 1 1 20 GLN HG2 H 6.224 -5.883 2.490 1.00 . A A . 64 GLN HG2 1 1 7 3678 1 1 20 GLN HG3 H 6.976 -5.723 0.903 1.00 . A A . 64 GLN HG3 1 1 7 3679 1 1 20 GLN N N 8.339 -4.764 2.732 1.00 . A A . 64 GLN N 1 1 7 3680 1 1 20 GLN NE2 N 5.014 -8.176 1.930 1.00 . A A . 64 GLN NE2 1 1 7 3681 1 1 20 GLN O O 10.765 -5.168 1.622 1.00 . A A . 64 GLN O 1 1 7 3682 1 1 20 GLN OE1 O 5.626 -7.613 -0.087 1.00 . A A . 64 GLN OE1 1 1 7 3683 1 1 21 LEU C C 12.094 -7.658 -0.066 1.00 . A A . 65 LEU C 1 1 7 3684 1 1 21 LEU CA C 12.265 -7.397 1.430 1.00 . A A . 65 LEU CA 1 1 7 3685 1 1 21 LEU CB C 12.968 -8.577 2.102 1.00 . A A . 65 LEU CB 1 1 7 3686 1 1 21 LEU CD1 C 12.290 -8.602 4.507 1.00 . A A . 65 LEU CD1 1 1 7 3687 1 1 21 LEU CD2 C 14.691 -8.887 3.882 1.00 . A A . 65 LEU CD2 1 1 7 3688 1 1 21 LEU CG C 13.381 -8.183 3.520 1.00 . A A . 65 LEU CG 1 1 7 3689 1 1 21 LEU H H 10.546 -8.096 2.531 1.00 . A A . 65 LEU H 1 1 7 3690 1 1 21 LEU HA H 12.826 -6.496 1.588 1.00 . A A . 65 LEU HA 1 1 7 3691 1 1 21 LEU HB2 H 12.293 -9.420 2.143 1.00 . A A . 65 LEU HB2 1 1 7 3692 1 1 21 LEU HB3 H 13.846 -8.844 1.534 1.00 . A A . 65 LEU HB3 1 1 7 3693 1 1 21 LEU HD11 H 11.811 -9.502 4.152 1.00 . A A . 65 LEU HD11 1 1 7 3694 1 1 21 LEU HD12 H 12.731 -8.786 5.475 1.00 . A A . 65 LEU HD12 1 1 7 3695 1 1 21 LEU HD13 H 11.558 -7.812 4.589 1.00 . A A . 65 LEU HD13 1 1 7 3696 1 1 21 LEU HD21 H 15.411 -8.737 3.091 1.00 . A A . 65 LEU HD21 1 1 7 3697 1 1 21 LEU HD22 H 15.079 -8.477 4.803 1.00 . A A . 65 LEU HD22 1 1 7 3698 1 1 21 LEU HD23 H 14.509 -9.944 4.007 1.00 . A A . 65 LEU HD23 1 1 7 3699 1 1 21 LEU HG H 13.521 -7.113 3.571 1.00 . A A . 65 LEU HG 1 1 7 3700 1 1 21 LEU N N 10.935 -7.304 2.105 1.00 . A A . 65 LEU N 1 1 7 3701 1 1 21 LEU O O 13.008 -7.484 -0.848 1.00 . A A . 65 LEU O 1 1 7 3702 1 1 22 GLN C C 9.900 -7.193 -2.538 1.00 . A A . 66 GLN C 1 1 7 3703 1 1 22 GLN CA C 10.692 -8.343 -1.916 1.00 . A A . 66 GLN CA 1 1 7 3704 1 1 22 GLN CB C 9.877 -9.637 -1.947 1.00 . A A . 66 GLN CB 1 1 7 3705 1 1 22 GLN CD C 9.791 -12.005 -1.155 1.00 . A A . 66 GLN CD 1 1 7 3706 1 1 22 GLN CG C 10.517 -10.666 -1.014 1.00 . A A . 66 GLN CG 1 1 7 3707 1 1 22 GLN H H 10.212 -8.201 0.183 1.00 . A A . 66 GLN H 1 1 7 3708 1 1 22 GLN HA H 11.628 -8.483 -2.433 1.00 . A A . 66 GLN HA 1 1 7 3709 1 1 22 GLN HB2 H 8.867 -9.433 -1.623 1.00 . A A . 66 GLN HB2 1 1 7 3710 1 1 22 GLN HB3 H 9.861 -10.028 -2.954 1.00 . A A . 66 GLN HB3 1 1 7 3711 1 1 22 GLN HE21 H 10.723 -12.494 -2.838 1.00 . A A . 66 GLN HE21 1 1 7 3712 1 1 22 GLN HE22 H 9.601 -13.635 -2.273 1.00 . A A . 66 GLN HE22 1 1 7 3713 1 1 22 GLN HG2 H 11.558 -10.791 -1.275 1.00 . A A . 66 GLN HG2 1 1 7 3714 1 1 22 GLN HG3 H 10.440 -10.323 0.007 1.00 . A A . 66 GLN HG3 1 1 7 3715 1 1 22 GLN N N 10.931 -8.072 -0.468 1.00 . A A . 66 GLN N 1 1 7 3716 1 1 22 GLN NE2 N 10.061 -12.775 -2.173 1.00 . A A . 66 GLN NE2 1 1 7 3717 1 1 22 GLN O O 10.093 -6.836 -3.684 1.00 . A A . 66 GLN O 1 1 7 3718 1 1 22 GLN OE1 O 8.969 -12.354 -0.330 1.00 . A A . 66 GLN OE1 1 1 7 3719 1 1 23 SER C C 7.514 -4.752 -1.153 1.00 . A A . 67 SER C 1 1 7 3720 1 1 23 SER CA C 8.199 -5.478 -2.317 1.00 . A A . 67 SER CA 1 1 7 3721 1 1 23 SER CB C 7.172 -6.133 -3.241 1.00 . A A . 67 SER CB 1 1 7 3722 1 1 23 SER H H 8.876 -6.914 -0.864 1.00 . A A . 67 SER H 1 1 7 3723 1 1 23 SER HA H 8.820 -4.795 -2.875 1.00 . A A . 67 SER HA 1 1 7 3724 1 1 23 SER HB2 H 6.607 -6.866 -2.692 1.00 . A A . 67 SER HB2 1 1 7 3725 1 1 23 SER HB3 H 6.499 -5.376 -3.624 1.00 . A A . 67 SER HB3 1 1 7 3726 1 1 23 SER HG H 7.895 -7.710 -4.121 1.00 . A A . 67 SER HG 1 1 7 3727 1 1 23 SER N N 9.010 -6.608 -1.785 1.00 . A A . 67 SER N 1 1 7 3728 1 1 23 SER O O 8.152 -4.374 -0.194 1.00 . A A . 67 SER O 1 1 7 3729 1 1 23 SER OG O 7.848 -6.771 -4.317 1.00 . A A . 67 SER OG 1 1 7 3730 1 1 24 TYR C C 4.019 -4.172 -0.166 1.00 . A A . 68 TYR C 1 1 7 3731 1 1 24 TYR CA C 5.516 -3.866 -0.104 1.00 . A A . 68 TYR CA 1 1 7 3732 1 1 24 TYR CB C 5.784 -2.378 -0.322 1.00 . A A . 68 TYR CB 1 1 7 3733 1 1 24 TYR CD1 C 5.831 -2.322 -2.843 1.00 . A A . 68 TYR CD1 1 1 7 3734 1 1 24 TYR CD2 C 4.040 -1.169 -1.682 1.00 . A A . 68 TYR CD2 1 1 7 3735 1 1 24 TYR CE1 C 5.295 -1.918 -4.071 1.00 . A A . 68 TYR CE1 1 1 7 3736 1 1 24 TYR CE2 C 3.504 -0.766 -2.911 1.00 . A A . 68 TYR CE2 1 1 7 3737 1 1 24 TYR CG C 5.204 -1.947 -1.648 1.00 . A A . 68 TYR CG 1 1 7 3738 1 1 24 TYR CZ C 4.131 -1.140 -4.106 1.00 . A A . 68 TYR CZ 1 1 7 3739 1 1 24 TYR H H 5.716 -4.870 -1.997 1.00 . A A . 68 TYR H 1 1 7 3740 1 1 24 TYR HA H 5.923 -4.177 0.846 1.00 . A A . 68 TYR HA 1 1 7 3741 1 1 24 TYR HB2 H 5.324 -1.808 0.473 1.00 . A A . 68 TYR HB2 1 1 7 3742 1 1 24 TYR HB3 H 6.851 -2.204 -0.321 1.00 . A A . 68 TYR HB3 1 1 7 3743 1 1 24 TYR HD1 H 6.729 -2.921 -2.815 1.00 . A A . 68 TYR HD1 1 1 7 3744 1 1 24 TYR HD2 H 3.555 -0.881 -0.761 1.00 . A A . 68 TYR HD2 1 1 7 3745 1 1 24 TYR HE1 H 5.779 -2.207 -4.993 1.00 . A A . 68 TYR HE1 1 1 7 3746 1 1 24 TYR HE2 H 2.607 -0.164 -2.938 1.00 . A A . 68 TYR HE2 1 1 7 3747 1 1 24 TYR HH H 4.123 -0.002 -5.638 1.00 . A A . 68 TYR HH 1 1 7 3748 1 1 24 TYR N N 6.223 -4.557 -1.220 1.00 . A A . 68 TYR N 1 1 7 3749 1 1 24 TYR O O 3.472 -4.425 -1.222 1.00 . A A . 68 TYR O 1 1 7 3750 1 1 24 TYR OH O 3.603 -0.742 -5.316 1.00 . A A . 68 TYR OH 1 1 7 3751 1 1 25 ILE C C 1.126 -3.408 1.768 1.00 . A A . 69 ILE C 1 1 7 3752 1 1 25 ILE CA C 1.889 -4.459 0.946 1.00 . A A . 69 ILE CA 1 1 7 3753 1 1 25 ILE CB C 1.781 -5.874 1.548 1.00 . A A . 69 ILE CB 1 1 7 3754 1 1 25 ILE CD1 C 1.136 -8.213 0.959 1.00 . A A . 69 ILE CD1 1 1 7 3755 1 1 25 ILE CG1 C 0.908 -6.737 0.637 1.00 . A A . 69 ILE CG1 1 1 7 3756 1 1 25 ILE CG2 C 1.166 -5.843 2.954 1.00 . A A . 69 ILE CG2 1 1 7 3757 1 1 25 ILE H H 3.806 -3.957 1.798 1.00 . A A . 69 ILE H 1 1 7 3758 1 1 25 ILE HA H 1.522 -4.469 -0.069 1.00 . A A . 69 ILE HA 1 1 7 3759 1 1 25 ILE HB H 2.768 -6.309 1.606 1.00 . A A . 69 ILE HB 1 1 7 3760 1 1 25 ILE HD11 H 2.120 -8.339 1.387 1.00 . A A . 69 ILE HD11 1 1 7 3761 1 1 25 ILE HD12 H 0.391 -8.546 1.666 1.00 . A A . 69 ILE HD12 1 1 7 3762 1 1 25 ILE HD13 H 1.060 -8.795 0.054 1.00 . A A . 69 ILE HD13 1 1 7 3763 1 1 25 ILE HG12 H -0.132 -6.489 0.793 1.00 . A A . 69 ILE HG12 1 1 7 3764 1 1 25 ILE HG13 H 1.172 -6.551 -0.393 1.00 . A A . 69 ILE HG13 1 1 7 3765 1 1 25 ILE HG21 H 0.254 -5.264 2.934 1.00 . A A . 69 ILE HG21 1 1 7 3766 1 1 25 ILE HG22 H 0.945 -6.851 3.273 1.00 . A A . 69 ILE HG22 1 1 7 3767 1 1 25 ILE HG23 H 1.864 -5.392 3.642 1.00 . A A . 69 ILE HG23 1 1 7 3768 1 1 25 ILE N N 3.350 -4.159 0.953 1.00 . A A . 69 ILE N 1 1 7 3769 1 1 25 ILE O O 1.301 -3.292 2.964 1.00 . A A . 69 ILE O 1 1 7 3770 1 1 26 CYS C C -1.671 -2.231 2.603 1.00 . A A . 70 CYS C 1 1 7 3771 1 1 26 CYS CA C -0.480 -1.604 1.877 1.00 . A A . 70 CYS CA 1 1 7 3772 1 1 26 CYS CB C -0.966 -0.631 0.808 1.00 . A A . 70 CYS CB 1 1 7 3773 1 1 26 CYS H H 0.157 -2.745 0.166 1.00 . A A . 70 CYS H 1 1 7 3774 1 1 26 CYS HA H 0.160 -1.091 2.573 1.00 . A A . 70 CYS HA 1 1 7 3775 1 1 26 CYS HB2 H -1.555 -1.166 0.081 1.00 . A A . 70 CYS HB2 1 1 7 3776 1 1 26 CYS HB3 H -1.569 0.134 1.272 1.00 . A A . 70 CYS HB3 1 1 7 3777 1 1 26 CYS N N 0.284 -2.642 1.133 1.00 . A A . 70 CYS N 1 1 7 3778 1 1 26 CYS O O -2.316 -3.129 2.098 1.00 . A A . 70 CYS O 1 1 7 3779 1 1 26 CYS SG S 0.454 0.134 -0.009 1.00 . A A . 70 CYS SG 1 1 7 3780 1 1 27 PHE C C -4.341 -1.404 4.385 1.00 . A A . 71 PHE C 1 1 7 3781 1 1 27 PHE CA C -3.128 -2.324 4.538 1.00 . A A . 71 PHE CA 1 1 7 3782 1 1 27 PHE CB C -2.667 -2.371 5.994 1.00 . A A . 71 PHE CB 1 1 7 3783 1 1 27 PHE CD1 C -0.785 -3.987 5.547 1.00 . A A . 71 PHE CD1 1 1 7 3784 1 1 27 PHE CD2 C -2.458 -4.574 7.202 1.00 . A A . 71 PHE CD2 1 1 7 3785 1 1 27 PHE CE1 C -0.122 -5.197 5.788 1.00 . A A . 71 PHE CE1 1 1 7 3786 1 1 27 PHE CE2 C -1.796 -5.784 7.442 1.00 . A A . 71 PHE CE2 1 1 7 3787 1 1 27 PHE CG C -1.953 -3.676 6.254 1.00 . A A . 71 PHE CG 1 1 7 3788 1 1 27 PHE CZ C -0.628 -6.095 6.736 1.00 . A A . 71 PHE CZ 1 1 7 3789 1 1 27 PHE H H -1.441 -1.032 4.168 1.00 . A A . 71 PHE H 1 1 7 3790 1 1 27 PHE HA H -3.358 -3.317 4.189 1.00 . A A . 71 PHE HA 1 1 7 3791 1 1 27 PHE HB2 H -1.995 -1.547 6.186 1.00 . A A . 71 PHE HB2 1 1 7 3792 1 1 27 PHE HB3 H -3.528 -2.298 6.644 1.00 . A A . 71 PHE HB3 1 1 7 3793 1 1 27 PHE HD1 H -0.396 -3.295 4.816 1.00 . A A . 71 PHE HD1 1 1 7 3794 1 1 27 PHE HD2 H -3.360 -4.333 7.746 1.00 . A A . 71 PHE HD2 1 1 7 3795 1 1 27 PHE HE1 H 0.778 -5.438 5.243 1.00 . A A . 71 PHE HE1 1 1 7 3796 1 1 27 PHE HE2 H -2.186 -6.476 8.173 1.00 . A A . 71 PHE HE2 1 1 7 3797 1 1 27 PHE HZ H -0.117 -7.028 6.921 1.00 . A A . 71 PHE HZ 1 1 7 3798 1 1 27 PHE N N -1.972 -1.761 3.782 1.00 . A A . 71 PHE N 1 1 7 3799 1 1 27 PHE O O -4.596 -0.552 5.213 1.00 . A A . 71 PHE O 1 1 7 3800 1 1 28 CYS C C -7.352 -1.003 4.169 1.00 . A A . 72 CYS C 1 1 7 3801 1 1 28 CYS CA C -6.282 -0.701 3.117 1.00 . A A . 72 CYS CA 1 1 7 3802 1 1 28 CYS CB C -6.792 -1.056 1.719 1.00 . A A . 72 CYS CB 1 1 7 3803 1 1 28 CYS H H -4.861 -2.261 2.676 1.00 . A A . 72 CYS H 1 1 7 3804 1 1 28 CYS HA H -6.003 0.340 3.152 1.00 . A A . 72 CYS HA 1 1 7 3805 1 1 28 CYS HB2 H -7.252 -2.033 1.743 1.00 . A A . 72 CYS HB2 1 1 7 3806 1 1 28 CYS HB3 H -7.519 -0.321 1.403 1.00 . A A . 72 CYS HB3 1 1 7 3807 1 1 28 CYS N N -5.088 -1.569 3.330 1.00 . A A . 72 CYS N 1 1 7 3808 1 1 28 CYS O O -7.187 -1.868 5.006 1.00 . A A . 72 CYS O 1 1 7 3809 1 1 28 CYS SG S -5.407 -1.074 0.551 1.00 . A A . 72 CYS SG 1 1 7 3810 1 1 29 LEU C C -10.577 -1.490 4.534 1.00 . A A . 73 LEU C 1 1 7 3811 1 1 29 LEU CA C -9.531 -0.544 5.127 1.00 . A A . 73 LEU CA 1 1 7 3812 1 1 29 LEU CB C -10.145 0.832 5.399 1.00 . A A . 73 LEU CB 1 1 7 3813 1 1 29 LEU CD1 C -9.653 3.274 5.633 1.00 . A A . 73 LEU CD1 1 1 7 3814 1 1 29 LEU CD2 C -8.240 1.594 6.827 1.00 . A A . 73 LEU CD2 1 1 7 3815 1 1 29 LEU CG C -9.035 1.875 5.548 1.00 . A A . 73 LEU CG 1 1 7 3816 1 1 29 LEU H H -8.564 0.395 3.446 1.00 . A A . 73 LEU H 1 1 7 3817 1 1 29 LEU HA H -9.122 -0.953 6.038 1.00 . A A . 73 LEU HA 1 1 7 3818 1 1 29 LEU HB2 H -10.789 1.106 4.575 1.00 . A A . 73 LEU HB2 1 1 7 3819 1 1 29 LEU HB3 H -10.724 0.794 6.309 1.00 . A A . 73 LEU HB3 1 1 7 3820 1 1 29 LEU HD11 H -10.400 3.291 6.412 1.00 . A A . 73 LEU HD11 1 1 7 3821 1 1 29 LEU HD12 H -8.880 3.996 5.859 1.00 . A A . 73 LEU HD12 1 1 7 3822 1 1 29 LEU HD13 H -10.112 3.523 4.687 1.00 . A A . 73 LEU HD13 1 1 7 3823 1 1 29 LEU HD21 H -8.040 0.534 6.901 1.00 . A A . 73 LEU HD21 1 1 7 3824 1 1 29 LEU HD22 H -7.306 2.135 6.797 1.00 . A A . 73 LEU HD22 1 1 7 3825 1 1 29 LEU HD23 H -8.814 1.912 7.685 1.00 . A A . 73 LEU HD23 1 1 7 3826 1 1 29 LEU HG H -8.376 1.824 4.693 1.00 . A A . 73 LEU HG 1 1 7 3827 1 1 29 LEU N N -8.449 -0.297 4.131 1.00 . A A . 73 LEU N 1 1 7 3828 1 1 29 LEU O O -10.461 -1.908 3.399 1.00 . A A . 73 LEU O 1 1 7 3829 1 1 30 PRO C C -13.371 -2.094 3.659 1.00 . A A . 74 PRO C 1 1 7 3830 1 1 30 PRO CA C -12.652 -2.704 4.864 1.00 . A A . 74 PRO CA 1 1 7 3831 1 1 30 PRO CB C -13.593 -2.807 6.067 1.00 . A A . 74 PRO CB 1 1 7 3832 1 1 30 PRO CD C -11.781 -1.335 6.695 1.00 . A A . 74 PRO CD 1 1 7 3833 1 1 30 PRO CG C -12.815 -2.285 7.236 1.00 . A A . 74 PRO CG 1 1 7 3834 1 1 30 PRO HA H -12.254 -3.673 4.619 1.00 . A A . 74 PRO HA 1 1 7 3835 1 1 30 PRO HB2 H -14.475 -2.202 5.901 1.00 . A A . 74 PRO HB2 1 1 7 3836 1 1 30 PRO HB3 H -13.868 -3.837 6.238 1.00 . A A . 74 PRO HB3 1 1 7 3837 1 1 30 PRO HD2 H -12.157 -0.322 6.705 1.00 . A A . 74 PRO HD2 1 1 7 3838 1 1 30 PRO HD3 H -10.863 -1.409 7.258 1.00 . A A . 74 PRO HD3 1 1 7 3839 1 1 30 PRO HG2 H -13.476 -1.765 7.914 1.00 . A A . 74 PRO HG2 1 1 7 3840 1 1 30 PRO HG3 H -12.327 -3.100 7.747 1.00 . A A . 74 PRO HG3 1 1 7 3841 1 1 30 PRO N N -11.570 -1.797 5.323 1.00 . A A . 74 PRO N 1 1 7 3842 1 1 30 PRO O O -14.135 -2.752 2.979 1.00 . A A . 74 PRO O 1 1 7 3843 1 1 31 ALA C C -13.068 -0.537 0.933 1.00 . A A . 75 ALA C 1 1 7 3844 1 1 31 ALA CA C -13.795 -0.180 2.232 1.00 . A A . 75 ALA CA 1 1 7 3845 1 1 31 ALA CB C -13.679 1.317 2.515 1.00 . A A . 75 ALA CB 1 1 7 3846 1 1 31 ALA H H -12.512 -0.334 3.954 1.00 . A A . 75 ALA H 1 1 7 3847 1 1 31 ALA HA H -14.831 -0.467 2.177 1.00 . A A . 75 ALA HA 1 1 7 3848 1 1 31 ALA HB1 H -12.656 1.558 2.767 1.00 . A A . 75 ALA HB1 1 1 7 3849 1 1 31 ALA HB2 H -13.973 1.873 1.637 1.00 . A A . 75 ALA HB2 1 1 7 3850 1 1 31 ALA HB3 H -14.325 1.579 3.340 1.00 . A A . 75 ALA HB3 1 1 7 3851 1 1 31 ALA N N -13.131 -0.842 3.391 1.00 . A A . 75 ALA N 1 1 7 3852 1 1 31 ALA O O -13.677 -0.699 -0.106 1.00 . A A . 75 ALA O 1 1 7 3853 1 1 32 PHE C C -10.344 -2.378 -0.089 1.00 . A A . 76 PHE C 1 1 7 3854 1 1 32 PHE CA C -11.005 -1.005 -0.247 1.00 . A A . 76 PHE CA 1 1 7 3855 1 1 32 PHE CB C -9.943 0.090 -0.382 1.00 . A A . 76 PHE CB 1 1 7 3856 1 1 32 PHE CD1 C -10.780 1.823 1.248 1.00 . A A . 76 PHE CD1 1 1 7 3857 1 1 32 PHE CD2 C -10.904 2.301 -1.127 1.00 . A A . 76 PHE CD2 1 1 7 3858 1 1 32 PHE CE1 C -11.349 3.070 1.528 1.00 . A A . 76 PHE CE1 1 1 7 3859 1 1 32 PHE CE2 C -11.474 3.549 -0.845 1.00 . A A . 76 PHE CE2 1 1 7 3860 1 1 32 PHE CG C -10.557 1.438 -0.080 1.00 . A A . 76 PHE CG 1 1 7 3861 1 1 32 PHE CZ C -11.696 3.933 0.482 1.00 . A A . 76 PHE CZ 1 1 7 3862 1 1 32 PHE H H -11.301 -0.526 1.829 1.00 . A A . 76 PHE H 1 1 7 3863 1 1 32 PHE HA H -11.654 -0.997 -1.105 1.00 . A A . 76 PHE HA 1 1 7 3864 1 1 32 PHE HB2 H -9.137 -0.101 0.313 1.00 . A A . 76 PHE HB2 1 1 7 3865 1 1 32 PHE HB3 H -9.555 0.091 -1.392 1.00 . A A . 76 PHE HB3 1 1 7 3866 1 1 32 PHE HD1 H -10.512 1.158 2.054 1.00 . A A . 76 PHE HD1 1 1 7 3867 1 1 32 PHE HD2 H -10.731 2.005 -2.151 1.00 . A A . 76 PHE HD2 1 1 7 3868 1 1 32 PHE HE1 H -11.521 3.367 2.553 1.00 . A A . 76 PHE HE1 1 1 7 3869 1 1 32 PHE HE2 H -11.741 4.215 -1.653 1.00 . A A . 76 PHE HE2 1 1 7 3870 1 1 32 PHE HZ H -12.135 4.896 0.700 1.00 . A A . 76 PHE HZ 1 1 7 3871 1 1 32 PHE N N -11.771 -0.661 0.984 1.00 . A A . 76 PHE N 1 1 7 3872 1 1 32 PHE O O -10.344 -2.956 0.980 1.00 . A A . 76 PHE O 1 1 7 3873 1 1 33 GLU C C -8.148 -4.431 -2.212 1.00 . A A . 77 GLU C 1 1 7 3874 1 1 33 GLU CA C -9.122 -4.237 -1.047 1.00 . A A . 77 GLU CA 1 1 7 3875 1 1 33 GLU CB C -10.265 -5.249 -1.130 1.00 . A A . 77 GLU CB 1 1 7 3876 1 1 33 GLU CD C -10.881 -7.649 -0.810 1.00 . A A . 77 GLU CD 1 1 7 3877 1 1 33 GLU CG C -9.794 -6.597 -0.581 1.00 . A A . 77 GLU CG 1 1 7 3878 1 1 33 GLU H H -9.791 -2.420 -1.995 1.00 . A A . 77 GLU H 1 1 7 3879 1 1 33 GLU HA H -8.609 -4.338 -0.105 1.00 . A A . 77 GLU HA 1 1 7 3880 1 1 33 GLU HB2 H -11.103 -4.894 -0.547 1.00 . A A . 77 GLU HB2 1 1 7 3881 1 1 33 GLU HB3 H -10.567 -5.368 -2.160 1.00 . A A . 77 GLU HB3 1 1 7 3882 1 1 33 GLU HG2 H -8.889 -6.897 -1.089 1.00 . A A . 77 GLU HG2 1 1 7 3883 1 1 33 GLU HG3 H -9.600 -6.507 0.477 1.00 . A A . 77 GLU HG3 1 1 7 3884 1 1 33 GLU N N -9.781 -2.902 -1.142 1.00 . A A . 77 GLU N 1 1 7 3885 1 1 33 GLU O O -8.492 -4.984 -3.237 1.00 . A A . 77 GLU O 1 1 7 3886 1 1 33 GLU OE1 O -11.250 -7.852 -1.954 1.00 . A A . 77 GLU OE1 1 1 7 3887 1 1 33 GLU OE2 O -11.325 -8.235 0.164 1.00 . A A . 77 GLU OE2 1 1 7 3888 1 1 34 GLY C C -4.538 -3.808 -2.635 1.00 . A A . 78 GLY C 1 1 7 3889 1 1 34 GLY CA C -5.936 -4.141 -3.159 1.00 . A A . 78 GLY CA 1 1 7 3890 1 1 34 GLY H H -6.673 -3.538 -1.227 1.00 . A A . 78 GLY H 1 1 7 3891 1 1 34 GLY HA2 H -5.956 -5.160 -3.516 1.00 . A A . 78 GLY HA2 1 1 7 3892 1 1 34 GLY HA3 H -6.182 -3.470 -3.968 1.00 . A A . 78 GLY HA3 1 1 7 3893 1 1 34 GLY N N -6.931 -3.980 -2.061 1.00 . A A . 78 GLY N 1 1 7 3894 1 1 34 GLY O O -4.383 -3.223 -1.581 1.00 . A A . 78 GLY O 1 1 7 3895 1 1 35 ARG C C -1.961 -2.379 -2.666 1.00 . A A . 79 ARG C 1 1 7 3896 1 1 35 ARG CA C -2.131 -3.882 -2.902 1.00 . A A . 79 ARG CA 1 1 7 3897 1 1 35 ARG CB C -1.228 -4.351 -4.043 1.00 . A A . 79 ARG CB 1 1 7 3898 1 1 35 ARG CD C 0.528 -5.566 -2.745 1.00 . A A . 79 ARG CD 1 1 7 3899 1 1 35 ARG CG C 0.231 -4.323 -3.585 1.00 . A A . 79 ARG CG 1 1 7 3900 1 1 35 ARG CZ C 1.130 -7.838 -3.327 1.00 . A A . 79 ARG CZ 1 1 7 3901 1 1 35 ARG H H -3.665 -4.649 -4.208 1.00 . A A . 79 ARG H 1 1 7 3902 1 1 35 ARG HA H -1.906 -4.433 -2.003 1.00 . A A . 79 ARG HA 1 1 7 3903 1 1 35 ARG HB2 H -1.499 -5.359 -4.324 1.00 . A A . 79 ARG HB2 1 1 7 3904 1 1 35 ARG HB3 H -1.350 -3.695 -4.892 1.00 . A A . 79 ARG HB3 1 1 7 3905 1 1 35 ARG HD2 H 1.390 -5.396 -2.115 1.00 . A A . 79 ARG HD2 1 1 7 3906 1 1 35 ARG HD3 H -0.330 -5.830 -2.147 1.00 . A A . 79 ARG HD3 1 1 7 3907 1 1 35 ARG HE H 0.753 -6.451 -4.695 1.00 . A A . 79 ARG HE 1 1 7 3908 1 1 35 ARG HG2 H 0.879 -4.308 -4.450 1.00 . A A . 79 ARG HG2 1 1 7 3909 1 1 35 ARG HG3 H 0.405 -3.439 -2.990 1.00 . A A . 79 ARG HG3 1 1 7 3910 1 1 35 ARG HH11 H 2.490 -7.189 -2.008 1.00 . A A . 79 ARG HH11 1 1 7 3911 1 1 35 ARG HH12 H 2.286 -8.907 -2.089 1.00 . A A . 79 ARG HH12 1 1 7 3912 1 1 35 ARG HH21 H -0.155 -8.767 -4.549 1.00 . A A . 79 ARG HH21 1 1 7 3913 1 1 35 ARG HH22 H 0.789 -9.801 -3.528 1.00 . A A . 79 ARG HH22 1 1 7 3914 1 1 35 ARG N N -3.518 -4.177 -3.361 1.00 . A A . 79 ARG N 1 1 7 3915 1 1 35 ARG NE N 0.810 -6.641 -3.736 1.00 . A A . 79 ARG NE 1 1 7 3916 1 1 35 ARG NH1 N 2.039 -7.989 -2.403 1.00 . A A . 79 ARG NH1 1 1 7 3917 1 1 35 ARG NH2 N 0.543 -8.883 -3.841 1.00 . A A . 79 ARG NH2 1 1 7 3918 1 1 35 ARG O O -1.108 -1.951 -1.914 1.00 . A A . 79 ARG O 1 1 7 3919 1 1 36 ASN C C -4.031 0.505 -2.829 1.00 . A A . 80 ASN C 1 1 7 3920 1 1 36 ASN CA C -2.653 -0.100 -3.115 1.00 . A A . 80 ASN CA 1 1 7 3921 1 1 36 ASN CB C -2.102 0.426 -4.441 1.00 . A A . 80 ASN CB 1 1 7 3922 1 1 36 ASN CG C -0.884 -0.403 -4.851 1.00 . A A . 80 ASN CG 1 1 7 3923 1 1 36 ASN H H -3.449 -1.941 -3.905 1.00 . A A . 80 ASN H 1 1 7 3924 1 1 36 ASN HA H -1.968 0.127 -2.314 1.00 . A A . 80 ASN HA 1 1 7 3925 1 1 36 ASN HB2 H -2.864 0.350 -5.203 1.00 . A A . 80 ASN HB2 1 1 7 3926 1 1 36 ASN HB3 H -1.809 1.459 -4.324 1.00 . A A . 80 ASN HB3 1 1 7 3927 1 1 36 ASN HD21 H 0.082 -0.085 -3.143 1.00 . A A . 80 ASN HD21 1 1 7 3928 1 1 36 ASN HD22 H 0.905 -1.056 -4.279 1.00 . A A . 80 ASN HD22 1 1 7 3929 1 1 36 ASN N N -2.768 -1.575 -3.303 1.00 . A A . 80 ASN N 1 1 7 3930 1 1 36 ASN ND2 N 0.117 -0.524 -4.023 1.00 . A A . 80 ASN ND2 1 1 7 3931 1 1 36 ASN O O -4.272 1.670 -3.074 1.00 . A A . 80 ASN O 1 1 7 3932 1 1 36 ASN OD1 O -0.842 -0.944 -5.939 1.00 . A A . 80 ASN OD1 1 1 7 3933 1 1 37 CYS C C -6.966 0.749 -3.298 1.00 . A A . 81 CYS C 1 1 7 3934 1 1 37 CYS CA C -6.299 0.248 -2.014 1.00 . A A . 81 CYS CA 1 1 7 3935 1 1 37 CYS CB C -6.071 1.407 -1.042 1.00 . A A . 81 CYS CB 1 1 7 3936 1 1 37 CYS H H -4.724 -1.218 -2.125 1.00 . A A . 81 CYS H 1 1 7 3937 1 1 37 CYS HA H -6.904 -0.512 -1.546 1.00 . A A . 81 CYS HA 1 1 7 3938 1 1 37 CYS HB2 H -5.629 2.238 -1.571 1.00 . A A . 81 CYS HB2 1 1 7 3939 1 1 37 CYS HB3 H -7.017 1.710 -0.618 1.00 . A A . 81 CYS HB3 1 1 7 3940 1 1 37 CYS N N -4.937 -0.280 -2.314 1.00 . A A . 81 CYS N 1 1 7 3941 1 1 37 CYS O O -7.973 1.429 -3.262 1.00 . A A . 81 CYS O 1 1 7 3942 1 1 37 CYS SG S -4.958 0.876 0.282 1.00 . A A . 81 CYS SG 1 1 7 3943 1 1 38 GLU C C -8.349 0.162 -5.962 1.00 . A A . 82 GLU C 1 1 7 3944 1 1 38 GLU CA C -7.017 0.876 -5.718 1.00 . A A . 82 GLU CA 1 1 7 3945 1 1 38 GLU CB C -5.997 0.496 -6.792 1.00 . A A . 82 GLU CB 1 1 7 3946 1 1 38 GLU CD C -5.636 0.183 -9.245 1.00 . A A . 82 GLU CD 1 1 7 3947 1 1 38 GLU CG C -6.659 0.555 -8.170 1.00 . A A . 82 GLU CG 1 1 7 3948 1 1 38 GLU H H -5.602 -0.131 -4.442 1.00 . A A . 82 GLU H 1 1 7 3949 1 1 38 GLU HA H -7.159 1.946 -5.708 1.00 . A A . 82 GLU HA 1 1 7 3950 1 1 38 GLU HB2 H -5.167 1.188 -6.761 1.00 . A A . 82 GLU HB2 1 1 7 3951 1 1 38 GLU HB3 H -5.640 -0.508 -6.609 1.00 . A A . 82 GLU HB3 1 1 7 3952 1 1 38 GLU HG2 H -7.486 -0.140 -8.203 1.00 . A A . 82 GLU HG2 1 1 7 3953 1 1 38 GLU HG3 H -7.023 1.555 -8.353 1.00 . A A . 82 GLU HG3 1 1 7 3954 1 1 38 GLU N N -6.414 0.419 -4.433 1.00 . A A . 82 GLU N 1 1 7 3955 1 1 38 GLU O O -9.185 0.625 -6.713 1.00 . A A . 82 GLU O 1 1 7 3956 1 1 38 GLU OE1 O -4.467 0.472 -9.048 1.00 . A A . 82 GLU OE1 1 1 7 3957 1 1 38 GLU OE2 O -6.038 -0.385 -10.247 1.00 . A A . 82 GLU OE2 1 1 7 3958 1 1 39 THR C C -10.910 -1.160 -4.589 1.00 . A A . 83 THR C 1 1 7 3959 1 1 39 THR CA C -9.832 -1.705 -5.530 1.00 . A A . 83 THR CA 1 1 7 3960 1 1 39 THR CB C -9.504 -3.158 -5.187 1.00 . A A . 83 THR CB 1 1 7 3961 1 1 39 THR CG2 C -10.783 -3.996 -5.220 1.00 . A A . 83 THR CG2 1 1 7 3962 1 1 39 THR H H -7.867 -1.320 -4.732 1.00 . A A . 83 THR H 1 1 7 3963 1 1 39 THR HA H -10.156 -1.633 -6.557 1.00 . A A . 83 THR HA 1 1 7 3964 1 1 39 THR HB H -9.073 -3.206 -4.198 1.00 . A A . 83 THR HB 1 1 7 3965 1 1 39 THR HG1 H -8.547 -4.623 -6.037 1.00 . A A . 83 THR HG1 1 1 7 3966 1 1 39 THR HG21 H -11.540 -3.473 -5.786 1.00 . A A . 83 THR HG21 1 1 7 3967 1 1 39 THR HG22 H -10.577 -4.947 -5.686 1.00 . A A . 83 THR HG22 1 1 7 3968 1 1 39 THR HG23 H -11.134 -4.156 -4.211 1.00 . A A . 83 THR HG23 1 1 7 3969 1 1 39 THR N N -8.554 -0.963 -5.334 1.00 . A A . 83 THR N 1 1 7 3970 1 1 39 THR O O -11.188 -1.729 -3.553 1.00 . A A . 83 THR O 1 1 7 3971 1 1 39 THR OG1 O -8.575 -3.668 -6.134 1.00 . A A . 83 THR OG1 1 1 7 3972 1 1 40 HIS C C -13.819 -0.381 -4.072 1.00 . A A . 84 HIS C 1 1 7 3973 1 1 40 HIS CA C -12.578 0.517 -4.067 1.00 . A A . 84 HIS CA 1 1 7 3974 1 1 40 HIS CB C -12.901 1.880 -4.679 1.00 . A A . 84 HIS CB 1 1 7 3975 1 1 40 HIS CD2 C -14.282 3.320 -2.971 1.00 . A A . 84 HIS CD2 1 1 7 3976 1 1 40 HIS CE1 C -16.272 2.796 -3.653 1.00 . A A . 84 HIS CE1 1 1 7 3977 1 1 40 HIS CG C -14.126 2.450 -4.021 1.00 . A A . 84 HIS CG 1 1 7 3978 1 1 40 HIS H H -11.281 0.383 -5.783 1.00 . A A . 84 HIS H 1 1 7 3979 1 1 40 HIS HA H -12.209 0.644 -3.061 1.00 . A A . 84 HIS HA 1 1 7 3980 1 1 40 HIS HB2 H -12.066 2.549 -4.528 1.00 . A A . 84 HIS HB2 1 1 7 3981 1 1 40 HIS HB3 H -13.081 1.765 -5.738 1.00 . A A . 84 HIS HB3 1 1 7 3982 1 1 40 HIS HD1 H -15.642 1.525 -5.177 1.00 . A A . 84 HIS HD1 1 1 7 3983 1 1 40 HIS HD2 H -13.477 3.768 -2.409 1.00 . A A . 84 HIS HD2 1 1 7 3984 1 1 40 HIS HE1 H -17.345 2.740 -3.748 1.00 . A A . 84 HIS HE1 1 1 7 3985 1 1 40 HIS N N -11.520 -0.061 -4.942 1.00 . A A . 84 HIS N 1 1 7 3986 1 1 40 HIS ND1 N -15.408 2.129 -4.440 1.00 . A A . 84 HIS ND1 1 1 7 3987 1 1 40 HIS NE2 N -15.638 3.538 -2.740 1.00 . A A . 84 HIS NE2 1 1 7 3988 1 1 40 HIS O O -14.519 -0.482 -5.060 1.00 . A A . 84 HIS O 1 1 7 3989 1 1 41 LYS C C -16.572 -1.094 -3.031 1.00 . A A . 85 LYS C 1 1 7 3990 1 1 41 LYS CA C -15.290 -1.922 -2.919 1.00 . A A . 85 LYS CA 1 1 7 3991 1 1 41 LYS CB C -15.210 -2.606 -1.554 1.00 . A A . 85 LYS CB 1 1 7 3992 1 1 41 LYS CD C -13.521 -3.492 0.061 1.00 . A A . 85 LYS CD 1 1 7 3993 1 1 41 LYS CE C -13.904 -4.900 0.520 1.00 . A A . 85 LYS CE 1 1 7 3994 1 1 41 LYS CG C -13.866 -3.324 -1.420 1.00 . A A . 85 LYS CG 1 1 7 3995 1 1 41 LYS H H -13.517 -0.937 -2.190 1.00 . A A . 85 LYS H 1 1 7 3996 1 1 41 LYS HA H -15.248 -2.661 -3.703 1.00 . A A . 85 LYS HA 1 1 7 3997 1 1 41 LYS HB2 H -15.301 -1.862 -0.773 1.00 . A A . 85 LYS HB2 1 1 7 3998 1 1 41 LYS HB3 H -16.012 -3.326 -1.464 1.00 . A A . 85 LYS HB3 1 1 7 3999 1 1 41 LYS HD2 H -12.460 -3.341 0.202 1.00 . A A . 85 LYS HD2 1 1 7 4000 1 1 41 LYS HD3 H -14.067 -2.764 0.642 1.00 . A A . 85 LYS HD3 1 1 7 4001 1 1 41 LYS HE2 H -14.979 -5.000 0.565 1.00 . A A . 85 LYS HE2 1 1 7 4002 1 1 41 LYS HE3 H -13.484 -5.639 -0.145 1.00 . A A . 85 LYS HE3 1 1 7 4003 1 1 41 LYS HG2 H -13.930 -4.296 -1.888 1.00 . A A . 85 LYS HG2 1 1 7 4004 1 1 41 LYS HG3 H -13.097 -2.742 -1.904 1.00 . A A . 85 LYS HG3 1 1 7 4005 1 1 41 LYS HZ1 H -12.509 -4.379 1.974 1.00 . A A . 85 LYS HZ1 1 1 7 4006 1 1 41 LYS HZ2 H -14.027 -4.820 2.596 1.00 . A A . 85 LYS HZ2 1 1 7 4007 1 1 41 LYS HZ3 H -12.973 -6.012 2.012 1.00 . A A . 85 LYS HZ3 1 1 7 4008 1 1 41 LYS N N -14.095 -1.032 -2.976 1.00 . A A . 85 LYS N 1 1 7 4009 1 1 41 LYS NZ N -13.308 -5.038 1.879 1.00 . A A . 85 LYS NZ 1 1 7 4010 1 1 41 LYS O O -16.850 -0.341 -2.113 1.00 . A A . 85 LYS O 1 1 7 4011 1 1 41 LYS OXT O -17.255 -1.227 -4.033 1.00 . A A . 85 LYS OXT 1 1 8 4012 1 1 1 SER C C 18.154 0.545 -2.983 1.00 . A A . 45 SER C 1 1 8 4013 1 1 1 SER CA C 18.827 0.999 -1.684 1.00 . A A . 45 SER CA 1 1 8 4014 1 1 1 SER CB C 19.443 -0.194 -0.955 1.00 . A A . 45 SER CB 1 1 8 4015 1 1 1 SER H1 H 17.249 2.276 -1.221 1.00 . A A . 45 SER H1 1 1 8 4016 1 1 1 SER H2 H 17.183 0.777 -0.424 1.00 . A A . 45 SER H2 1 1 8 4017 1 1 1 SER H3 H 18.289 1.963 0.081 1.00 . A A . 45 SER H3 1 1 8 4018 1 1 1 SER HA H 19.585 1.736 -1.890 1.00 . A A . 45 SER HA 1 1 8 4019 1 1 1 SER HB2 H 20.505 -0.217 -1.130 1.00 . A A . 45 SER HB2 1 1 8 4020 1 1 1 SER HB3 H 19.258 -0.099 0.107 1.00 . A A . 45 SER HB3 1 1 8 4021 1 1 1 SER HG H 18.023 -1.524 -0.995 1.00 . A A . 45 SER HG 1 1 8 4022 1 1 1 SER N N 17.810 1.545 -0.741 1.00 . A A . 45 SER N 1 1 8 4023 1 1 1 SER O O 18.583 0.886 -4.067 1.00 . A A . 45 SER O 1 1 8 4024 1 1 1 SER OG O 18.862 -1.396 -1.444 1.00 . A A . 45 SER OG 1 1 8 4025 1 1 2 ASP C C 15.285 0.276 -4.489 1.00 . A A . 46 ASP C 1 1 8 4026 1 1 2 ASP CA C 16.404 -0.697 -4.110 1.00 . A A . 46 ASP CA 1 1 8 4027 1 1 2 ASP CB C 15.825 -2.061 -3.733 1.00 . A A . 46 ASP CB 1 1 8 4028 1 1 2 ASP CG C 16.086 -3.057 -4.866 1.00 . A A . 46 ASP CG 1 1 8 4029 1 1 2 ASP H H 16.774 -0.487 -1.996 1.00 . A A . 46 ASP H 1 1 8 4030 1 1 2 ASP HA H 17.104 -0.805 -4.924 1.00 . A A . 46 ASP HA 1 1 8 4031 1 1 2 ASP HB2 H 16.296 -2.415 -2.827 1.00 . A A . 46 ASP HB2 1 1 8 4032 1 1 2 ASP HB3 H 14.761 -1.970 -3.574 1.00 . A A . 46 ASP HB3 1 1 8 4033 1 1 2 ASP N N 17.104 -0.222 -2.880 1.00 . A A . 46 ASP N 1 1 8 4034 1 1 2 ASP O O 14.858 0.331 -5.625 1.00 . A A . 46 ASP O 1 1 8 4035 1 1 2 ASP OD1 O 16.105 -2.630 -6.010 1.00 . A A . 46 ASP OD1 1 1 8 4036 1 1 2 ASP OD2 O 16.260 -4.227 -4.571 1.00 . A A . 46 ASP OD2 1 1 8 4037 1 1 3 GLY C C 12.907 2.290 -2.590 1.00 . A A . 47 GLY C 1 1 8 4038 1 1 3 GLY CA C 13.717 2.010 -3.857 1.00 . A A . 47 GLY CA 1 1 8 4039 1 1 3 GLY H H 15.166 0.982 -2.637 1.00 . A A . 47 GLY H 1 1 8 4040 1 1 3 GLY HA2 H 14.147 2.931 -4.222 1.00 . A A . 47 GLY HA2 1 1 8 4041 1 1 3 GLY HA3 H 13.067 1.591 -4.609 1.00 . A A . 47 GLY HA3 1 1 8 4042 1 1 3 GLY N N 14.808 1.042 -3.548 1.00 . A A . 47 GLY N 1 1 8 4043 1 1 3 GLY O O 12.202 3.276 -2.498 1.00 . A A . 47 GLY O 1 1 8 4044 1 1 4 ASP C C 10.739 1.414 -0.576 1.00 . A A . 48 ASP C 1 1 8 4045 1 1 4 ASP CA C 12.236 1.641 -0.343 1.00 . A A . 48 ASP CA 1 1 8 4046 1 1 4 ASP CB C 12.499 3.096 0.048 1.00 . A A . 48 ASP CB 1 1 8 4047 1 1 4 ASP CG C 12.298 3.267 1.554 1.00 . A A . 48 ASP CG 1 1 8 4048 1 1 4 ASP H H 13.575 0.640 -1.707 1.00 . A A . 48 ASP H 1 1 8 4049 1 1 4 ASP HA H 12.600 0.982 0.430 1.00 . A A . 48 ASP HA 1 1 8 4050 1 1 4 ASP HB2 H 13.513 3.361 -0.215 1.00 . A A . 48 ASP HB2 1 1 8 4051 1 1 4 ASP HB3 H 11.811 3.738 -0.481 1.00 . A A . 48 ASP HB3 1 1 8 4052 1 1 4 ASP N N 13.000 1.430 -1.610 1.00 . A A . 48 ASP N 1 1 8 4053 1 1 4 ASP O O 9.937 1.569 0.320 1.00 . A A . 48 ASP O 1 1 8 4054 1 1 4 ASP OD1 O 11.793 2.345 2.173 1.00 . A A . 48 ASP OD1 1 1 8 4055 1 1 4 ASP OD2 O 12.651 4.317 2.064 1.00 . A A . 48 ASP OD2 1 1 8 4056 1 1 5 GLN C C 8.037 1.912 -1.534 1.00 . A A . 49 GLN C 1 1 8 4057 1 1 5 GLN CA C 8.929 0.793 -2.086 1.00 . A A . 49 GLN CA 1 1 8 4058 1 1 5 GLN CB C 8.608 -0.534 -1.418 1.00 . A A . 49 GLN CB 1 1 8 4059 1 1 5 GLN CD C 10.772 -1.683 -1.914 1.00 . A A . 49 GLN CD 1 1 8 4060 1 1 5 GLN CG C 9.269 -1.672 -2.199 1.00 . A A . 49 GLN CG 1 1 8 4061 1 1 5 GLN H H 11.038 0.918 -2.468 1.00 . A A . 49 GLN H 1 1 8 4062 1 1 5 GLN HA H 8.794 0.700 -3.148 1.00 . A A . 49 GLN HA 1 1 8 4063 1 1 5 GLN HB2 H 8.988 -0.524 -0.414 1.00 . A A . 49 GLN HB2 1 1 8 4064 1 1 5 GLN HB3 H 7.541 -0.680 -1.402 1.00 . A A . 49 GLN HB3 1 1 8 4065 1 1 5 GLN HE21 H 10.538 -1.563 0.057 1.00 . A A . 49 GLN HE21 1 1 8 4066 1 1 5 GLN HE22 H 12.155 -1.624 -0.487 1.00 . A A . 49 GLN HE22 1 1 8 4067 1 1 5 GLN HG2 H 8.837 -2.615 -1.895 1.00 . A A . 49 GLN HG2 1 1 8 4068 1 1 5 GLN HG3 H 9.107 -1.524 -3.256 1.00 . A A . 49 GLN HG3 1 1 8 4069 1 1 5 GLN N N 10.367 1.042 -1.771 1.00 . A A . 49 GLN N 1 1 8 4070 1 1 5 GLN NE2 N 11.190 -1.618 -0.679 1.00 . A A . 49 GLN NE2 1 1 8 4071 1 1 5 GLN O O 7.701 2.847 -2.232 1.00 . A A . 49 GLN O 1 1 8 4072 1 1 5 GLN OE1 O 11.574 -1.750 -2.824 1.00 . A A . 49 GLN OE1 1 1 8 4073 1 1 6 CYS C C 7.596 4.107 0.672 1.00 . A A . 50 CYS C 1 1 8 4074 1 1 6 CYS CA C 6.765 2.877 0.292 1.00 . A A . 50 CYS CA 1 1 8 4075 1 1 6 CYS CB C 6.155 2.236 1.540 1.00 . A A . 50 CYS CB 1 1 8 4076 1 1 6 CYS H H 7.915 1.054 0.253 1.00 . A A . 50 CYS H 1 1 8 4077 1 1 6 CYS HA H 5.985 3.148 -0.401 1.00 . A A . 50 CYS HA 1 1 8 4078 1 1 6 CYS HB2 H 5.408 1.515 1.243 1.00 . A A . 50 CYS HB2 1 1 8 4079 1 1 6 CYS HB3 H 6.930 1.739 2.102 1.00 . A A . 50 CYS HB3 1 1 8 4080 1 1 6 CYS N N 7.641 1.820 -0.292 1.00 . A A . 50 CYS N 1 1 8 4081 1 1 6 CYS O O 7.881 4.347 1.827 1.00 . A A . 50 CYS O 1 1 8 4082 1 1 6 CYS SG S 5.385 3.512 2.571 1.00 . A A . 50 CYS SG 1 1 8 4083 1 1 7 ALA C C 7.883 7.344 -0.024 1.00 . A A . 51 ALA C 1 1 8 4084 1 1 7 ALA CA C 8.785 6.107 -0.004 1.00 . A A . 51 ALA CA 1 1 8 4085 1 1 7 ALA CB C 9.822 6.179 -1.125 1.00 . A A . 51 ALA CB 1 1 8 4086 1 1 7 ALA H H 7.735 4.676 -1.222 1.00 . A A . 51 ALA H 1 1 8 4087 1 1 7 ALA HA H 9.279 6.014 0.951 1.00 . A A . 51 ALA HA 1 1 8 4088 1 1 7 ALA HB1 H 9.813 5.255 -1.685 1.00 . A A . 51 ALA HB1 1 1 8 4089 1 1 7 ALA HB2 H 9.584 7.002 -1.784 1.00 . A A . 51 ALA HB2 1 1 8 4090 1 1 7 ALA HB3 H 10.803 6.332 -0.700 1.00 . A A . 51 ALA HB3 1 1 8 4091 1 1 7 ALA N N 7.981 4.887 -0.298 1.00 . A A . 51 ALA N 1 1 8 4092 1 1 7 ALA O O 8.091 8.290 0.711 1.00 . A A . 51 ALA O 1 1 8 4093 1 1 8 SER C C 4.515 8.066 -0.742 1.00 . A A . 52 SER C 1 1 8 4094 1 1 8 SER CA C 5.965 8.517 -0.935 1.00 . A A . 52 SER CA 1 1 8 4095 1 1 8 SER CB C 6.166 9.090 -2.336 1.00 . A A . 52 SER CB 1 1 8 4096 1 1 8 SER H H 6.734 6.570 -1.447 1.00 . A A . 52 SER H 1 1 8 4097 1 1 8 SER HA H 6.234 9.252 -0.193 1.00 . A A . 52 SER HA 1 1 8 4098 1 1 8 SER HB2 H 7.167 8.876 -2.676 1.00 . A A . 52 SER HB2 1 1 8 4099 1 1 8 SER HB3 H 5.455 8.638 -3.015 1.00 . A A . 52 SER HB3 1 1 8 4100 1 1 8 SER HG H 5.361 10.696 -1.590 1.00 . A A . 52 SER HG 1 1 8 4101 1 1 8 SER N N 6.883 7.343 -0.863 1.00 . A A . 52 SER N 1 1 8 4102 1 1 8 SER O O 3.591 8.688 -1.229 1.00 . A A . 52 SER O 1 1 8 4103 1 1 8 SER OG O 5.976 10.498 -2.299 1.00 . A A . 52 SER OG 1 1 8 4104 1 1 9 SER C C 2.316 5.954 -1.101 1.00 . A A . 53 SER C 1 1 8 4105 1 1 9 SER CA C 2.915 6.500 0.200 1.00 . A A . 53 SER CA 1 1 8 4106 1 1 9 SER CB C 2.131 7.722 0.679 1.00 . A A . 53 SER CB 1 1 8 4107 1 1 9 SER H H 5.066 6.507 0.356 1.00 . A A . 53 SER H 1 1 8 4108 1 1 9 SER HA H 2.908 5.738 0.964 1.00 . A A . 53 SER HA 1 1 8 4109 1 1 9 SER HB2 H 2.789 8.387 1.213 1.00 . A A . 53 SER HB2 1 1 8 4110 1 1 9 SER HB3 H 1.716 8.239 -0.176 1.00 . A A . 53 SER HB3 1 1 8 4111 1 1 9 SER HG H 1.472 7.120 2.408 1.00 . A A . 53 SER HG 1 1 8 4112 1 1 9 SER N N 4.306 6.991 -0.030 1.00 . A A . 53 SER N 1 1 8 4113 1 1 9 SER O O 1.472 6.582 -1.708 1.00 . A A . 53 SER O 1 1 8 4114 1 1 9 SER OG O 1.087 7.299 1.546 1.00 . A A . 53 SER OG 1 1 8 4115 1 1 10 PRO C C 0.857 3.628 -2.522 1.00 . A A . 54 PRO C 1 1 8 4116 1 1 10 PRO CA C 2.285 4.145 -2.723 1.00 . A A . 54 PRO CA 1 1 8 4117 1 1 10 PRO CB C 3.249 2.981 -2.935 1.00 . A A . 54 PRO CB 1 1 8 4118 1 1 10 PRO CD C 3.794 3.987 -0.799 1.00 . A A . 54 PRO CD 1 1 8 4119 1 1 10 PRO CG C 3.845 2.705 -1.589 1.00 . A A . 54 PRO CG 1 1 8 4120 1 1 10 PRO HA H 2.334 4.825 -3.557 1.00 . A A . 54 PRO HA 1 1 8 4121 1 1 10 PRO HB2 H 2.710 2.112 -3.292 1.00 . A A . 54 PRO HB2 1 1 8 4122 1 1 10 PRO HB3 H 4.025 3.255 -3.632 1.00 . A A . 54 PRO HB3 1 1 8 4123 1 1 10 PRO HD2 H 3.499 3.789 0.222 1.00 . A A . 54 PRO HD2 1 1 8 4124 1 1 10 PRO HD3 H 4.749 4.489 -0.829 1.00 . A A . 54 PRO HD3 1 1 8 4125 1 1 10 PRO HG2 H 3.273 1.938 -1.086 1.00 . A A . 54 PRO HG2 1 1 8 4126 1 1 10 PRO HG3 H 4.869 2.388 -1.700 1.00 . A A . 54 PRO HG3 1 1 8 4127 1 1 10 PRO N N 2.779 4.794 -1.483 1.00 . A A . 54 PRO N 1 1 8 4128 1 1 10 PRO O O 0.254 3.079 -3.422 1.00 . A A . 54 PRO O 1 1 8 4129 1 1 11 CYS C C -2.084 4.408 -1.336 1.00 . A A . 55 CYS C 1 1 8 4130 1 1 11 CYS CA C -1.066 3.292 -1.082 1.00 . A A . 55 CYS CA 1 1 8 4131 1 1 11 CYS CB C -1.085 2.883 0.398 1.00 . A A . 55 CYS CB 1 1 8 4132 1 1 11 CYS H H 0.825 4.225 -0.629 1.00 . A A . 55 CYS H 1 1 8 4133 1 1 11 CYS HA H -1.283 2.438 -1.702 1.00 . A A . 55 CYS HA 1 1 8 4134 1 1 11 CYS HB2 H -1.262 3.757 1.007 1.00 . A A . 55 CYS HB2 1 1 8 4135 1 1 11 CYS HB3 H -1.880 2.167 0.559 1.00 . A A . 55 CYS HB3 1 1 8 4136 1 1 11 CYS N N 0.318 3.788 -1.345 1.00 . A A . 55 CYS N 1 1 8 4137 1 1 11 CYS O O -1.729 5.547 -1.559 1.00 . A A . 55 CYS O 1 1 8 4138 1 1 11 CYS SG S 0.500 2.138 0.871 1.00 . A A . 55 CYS SG 1 1 8 4139 1 1 12 GLN C C -5.524 4.988 -0.517 1.00 . A A . 56 GLN C 1 1 8 4140 1 1 12 GLN CA C -4.390 5.126 -1.537 1.00 . A A . 56 GLN CA 1 1 8 4141 1 1 12 GLN CB C -4.907 4.854 -2.948 1.00 . A A . 56 GLN CB 1 1 8 4142 1 1 12 GLN CD C -4.084 4.293 -5.238 1.00 . A A . 56 GLN CD 1 1 8 4143 1 1 12 GLN CG C -3.772 5.056 -3.951 1.00 . A A . 56 GLN CG 1 1 8 4144 1 1 12 GLN H H -3.614 3.165 -1.118 1.00 . A A . 56 GLN H 1 1 8 4145 1 1 12 GLN HA H -3.954 6.108 -1.487 1.00 . A A . 56 GLN HA 1 1 8 4146 1 1 12 GLN HB2 H -5.268 3.839 -3.011 1.00 . A A . 56 GLN HB2 1 1 8 4147 1 1 12 GLN HB3 H -5.711 5.538 -3.176 1.00 . A A . 56 GLN HB3 1 1 8 4148 1 1 12 GLN HE21 H -2.298 3.427 -5.318 1.00 . A A . 56 GLN HE21 1 1 8 4149 1 1 12 GLN HE22 H -3.365 3.020 -6.585 1.00 . A A . 56 GLN HE22 1 1 8 4150 1 1 12 GLN HG2 H -3.669 6.109 -4.169 1.00 . A A . 56 GLN HG2 1 1 8 4151 1 1 12 GLN HG3 H -2.851 4.684 -3.528 1.00 . A A . 56 GLN HG3 1 1 8 4152 1 1 12 GLN N N -3.349 4.087 -1.300 1.00 . A A . 56 GLN N 1 1 8 4153 1 1 12 GLN NE2 N -3.174 3.516 -5.757 1.00 . A A . 56 GLN NE2 1 1 8 4154 1 1 12 GLN O O -5.479 4.159 0.369 1.00 . A A . 56 GLN O 1 1 8 4155 1 1 12 GLN OE1 O -5.167 4.405 -5.777 1.00 . A A . 56 GLN OE1 1 1 8 4156 1 1 13 ASN C C -7.169 5.615 1.754 1.00 . A A . 57 ASN C 1 1 8 4157 1 1 13 ASN CA C -7.683 5.714 0.315 1.00 . A A . 57 ASN CA 1 1 8 4158 1 1 13 ASN CB C -8.437 4.443 -0.074 1.00 . A A . 57 ASN CB 1 1 8 4159 1 1 13 ASN CG C -9.095 4.639 -1.441 1.00 . A A . 57 ASN CG 1 1 8 4160 1 1 13 ASN H H -6.554 6.454 -1.367 1.00 . A A . 57 ASN H 1 1 8 4161 1 1 13 ASN HA H -8.327 6.572 0.204 1.00 . A A . 57 ASN HA 1 1 8 4162 1 1 13 ASN HB2 H -7.745 3.615 -0.121 1.00 . A A . 57 ASN HB2 1 1 8 4163 1 1 13 ASN HB3 H -9.198 4.235 0.663 1.00 . A A . 57 ASN HB3 1 1 8 4164 1 1 13 ASN HD21 H -8.007 3.227 -2.321 1.00 . A A . 57 ASN HD21 1 1 8 4165 1 1 13 ASN HD22 H -9.129 4.021 -3.330 1.00 . A A . 57 ASN HD22 1 1 8 4166 1 1 13 ASN N N -6.541 5.795 -0.641 1.00 . A A . 57 ASN N 1 1 8 4167 1 1 13 ASN ND2 N -8.712 3.901 -2.448 1.00 . A A . 57 ASN ND2 1 1 8 4168 1 1 13 ASN O O -7.570 4.750 2.508 1.00 . A A . 57 ASN O 1 1 8 4169 1 1 13 ASN OD1 O -9.966 5.472 -1.595 1.00 . A A . 57 ASN OD1 1 1 8 4170 1 1 14 GLY C C -5.362 5.020 3.896 1.00 . A A . 58 GLY C 1 1 8 4171 1 1 14 GLY CA C -5.754 6.454 3.533 1.00 . A A . 58 GLY CA 1 1 8 4172 1 1 14 GLY H H -5.980 7.186 1.520 1.00 . A A . 58 GLY H 1 1 8 4173 1 1 14 GLY HA2 H -4.885 7.094 3.602 1.00 . A A . 58 GLY HA2 1 1 8 4174 1 1 14 GLY HA3 H -6.512 6.800 4.219 1.00 . A A . 58 GLY HA3 1 1 8 4175 1 1 14 GLY N N -6.288 6.495 2.143 1.00 . A A . 58 GLY N 1 1 8 4176 1 1 14 GLY O O -5.643 4.545 4.979 1.00 . A A . 58 GLY O 1 1 8 4177 1 1 15 GLY C C -2.856 2.923 3.814 1.00 . A A . 59 GLY C 1 1 8 4178 1 1 15 GLY CA C -4.299 2.925 3.305 1.00 . A A . 59 GLY CA 1 1 8 4179 1 1 15 GLY H H -4.489 4.727 2.136 1.00 . A A . 59 GLY H 1 1 8 4180 1 1 15 GLY HA2 H -4.952 2.515 4.063 1.00 . A A . 59 GLY HA2 1 1 8 4181 1 1 15 GLY HA3 H -4.363 2.327 2.407 1.00 . A A . 59 GLY HA3 1 1 8 4182 1 1 15 GLY N N -4.710 4.326 3.003 1.00 . A A . 59 GLY N 1 1 8 4183 1 1 15 GLY O O -2.060 3.766 3.452 1.00 . A A . 59 GLY O 1 1 8 4184 1 1 16 SER C C -0.187 1.298 4.145 1.00 . A A . 60 SER C 1 1 8 4185 1 1 16 SER CA C -1.119 1.932 5.180 1.00 . A A . 60 SER CA 1 1 8 4186 1 1 16 SER CB C -1.201 1.061 6.433 1.00 . A A . 60 SER CB 1 1 8 4187 1 1 16 SER H H -3.168 1.311 4.931 1.00 . A A . 60 SER H 1 1 8 4188 1 1 16 SER HA H -0.777 2.922 5.440 1.00 . A A . 60 SER HA 1 1 8 4189 1 1 16 SER HB2 H -2.230 0.814 6.635 1.00 . A A . 60 SER HB2 1 1 8 4190 1 1 16 SER HB3 H -0.640 0.149 6.274 1.00 . A A . 60 SER HB3 1 1 8 4191 1 1 16 SER HG H -1.170 1.537 8.319 1.00 . A A . 60 SER HG 1 1 8 4192 1 1 16 SER N N -2.513 1.982 4.651 1.00 . A A . 60 SER N 1 1 8 4193 1 1 16 SER O O -0.630 0.743 3.159 1.00 . A A . 60 SER O 1 1 8 4194 1 1 16 SER OG O -0.666 1.776 7.538 1.00 . A A . 60 SER OG 1 1 8 4195 1 1 17 CYS C C 3.002 -0.196 4.079 1.00 . A A . 61 CYS C 1 1 8 4196 1 1 17 CYS CA C 2.045 0.774 3.376 1.00 . A A . 61 CYS CA 1 1 8 4197 1 1 17 CYS CB C 2.796 1.968 2.762 1.00 . A A . 61 CYS CB 1 1 8 4198 1 1 17 CYS H H 1.439 1.827 5.157 1.00 . A A . 61 CYS H 1 1 8 4199 1 1 17 CYS HA H 1.497 0.257 2.605 1.00 . A A . 61 CYS HA 1 1 8 4200 1 1 17 CYS HB2 H 3.178 1.688 1.792 1.00 . A A . 61 CYS HB2 1 1 8 4201 1 1 17 CYS HB3 H 2.112 2.796 2.648 1.00 . A A . 61 CYS HB3 1 1 8 4202 1 1 17 CYS N N 1.099 1.375 4.357 1.00 . A A . 61 CYS N 1 1 8 4203 1 1 17 CYS O O 3.616 0.130 5.075 1.00 . A A . 61 CYS O 1 1 8 4204 1 1 17 CYS SG S 4.176 2.480 3.819 1.00 . A A . 61 CYS SG 1 1 8 4205 1 1 18 LYS C C 5.374 -2.431 3.445 1.00 . A A . 62 LYS C 1 1 8 4206 1 1 18 LYS CA C 4.051 -2.375 4.207 1.00 . A A . 62 LYS CA 1 1 8 4207 1 1 18 LYS CB C 3.337 -3.720 4.117 1.00 . A A . 62 LYS CB 1 1 8 4208 1 1 18 LYS CD C 3.808 -6.153 4.396 1.00 . A A . 62 LYS CD 1 1 8 4209 1 1 18 LYS CE C 4.285 -7.208 5.397 1.00 . A A . 62 LYS CE 1 1 8 4210 1 1 18 LYS CG C 4.095 -4.757 4.947 1.00 . A A . 62 LYS CG 1 1 8 4211 1 1 18 LYS H H 2.625 -1.635 2.763 1.00 . A A . 62 LYS H 1 1 8 4212 1 1 18 LYS HA H 4.221 -2.117 5.240 1.00 . A A . 62 LYS HA 1 1 8 4213 1 1 18 LYS HB2 H 2.330 -3.621 4.493 1.00 . A A . 62 LYS HB2 1 1 8 4214 1 1 18 LYS HB3 H 3.309 -4.041 3.087 1.00 . A A . 62 LYS HB3 1 1 8 4215 1 1 18 LYS HD2 H 2.745 -6.263 4.234 1.00 . A A . 62 LYS HD2 1 1 8 4216 1 1 18 LYS HD3 H 4.330 -6.285 3.460 1.00 . A A . 62 LYS HD3 1 1 8 4217 1 1 18 LYS HE2 H 3.984 -8.195 5.074 1.00 . A A . 62 LYS HE2 1 1 8 4218 1 1 18 LYS HE3 H 5.357 -7.159 5.514 1.00 . A A . 62 LYS HE3 1 1 8 4219 1 1 18 LYS HG2 H 5.156 -4.558 4.888 1.00 . A A . 62 LYS HG2 1 1 8 4220 1 1 18 LYS HG3 H 3.773 -4.703 5.975 1.00 . A A . 62 LYS HG3 1 1 8 4221 1 1 18 LYS HZ1 H 2.656 -6.505 6.487 1.00 . A A . 62 LYS HZ1 1 1 8 4222 1 1 18 LYS HZ2 H 3.564 -7.691 7.290 1.00 . A A . 62 LYS HZ2 1 1 8 4223 1 1 18 LYS HZ3 H 4.164 -6.106 7.159 1.00 . A A . 62 LYS HZ3 1 1 8 4224 1 1 18 LYS N N 3.131 -1.389 3.566 1.00 . A A . 62 LYS N 1 1 8 4225 1 1 18 LYS NZ N 3.617 -6.850 6.680 1.00 . A A . 62 LYS NZ 1 1 8 4226 1 1 18 LYS O O 5.405 -2.402 2.231 1.00 . A A . 62 LYS O 1 1 8 4227 1 1 19 ASP C C 8.445 -3.939 3.713 1.00 . A A . 63 ASP C 1 1 8 4228 1 1 19 ASP CA C 7.790 -2.578 3.471 1.00 . A A . 63 ASP CA 1 1 8 4229 1 1 19 ASP CB C 8.617 -1.463 4.112 1.00 . A A . 63 ASP CB 1 1 8 4230 1 1 19 ASP CG C 10.094 -1.660 3.770 1.00 . A A . 63 ASP CG 1 1 8 4231 1 1 19 ASP H H 6.414 -2.544 5.128 1.00 . A A . 63 ASP H 1 1 8 4232 1 1 19 ASP HA H 7.681 -2.394 2.414 1.00 . A A . 63 ASP HA 1 1 8 4233 1 1 19 ASP HB2 H 8.283 -0.507 3.734 1.00 . A A . 63 ASP HB2 1 1 8 4234 1 1 19 ASP HB3 H 8.490 -1.491 5.184 1.00 . A A . 63 ASP HB3 1 1 8 4235 1 1 19 ASP N N 6.466 -2.516 4.150 1.00 . A A . 63 ASP N 1 1 8 4236 1 1 19 ASP O O 8.919 -4.229 4.793 1.00 . A A . 63 ASP O 1 1 8 4237 1 1 19 ASP OD1 O 10.674 -2.612 4.267 1.00 . A A . 63 ASP OD1 1 1 8 4238 1 1 19 ASP OD2 O 10.621 -0.857 3.018 1.00 . A A . 63 ASP OD2 1 1 8 4239 1 1 20 GLN C C 10.455 -6.161 2.152 1.00 . A A . 64 GLN C 1 1 8 4240 1 1 20 GLN CA C 9.109 -6.119 2.883 1.00 . A A . 64 GLN CA 1 1 8 4241 1 1 20 GLN CB C 8.134 -7.158 2.284 1.00 . A A . 64 GLN CB 1 1 8 4242 1 1 20 GLN CD C 5.901 -7.567 1.229 1.00 . A A . 64 GLN CD 1 1 8 4243 1 1 20 GLN CG C 6.858 -6.491 1.747 1.00 . A A . 64 GLN CG 1 1 8 4244 1 1 20 GLN H H 8.093 -4.518 1.849 1.00 . A A . 64 GLN H 1 1 8 4245 1 1 20 GLN HA H 9.255 -6.324 3.932 1.00 . A A . 64 GLN HA 1 1 8 4246 1 1 20 GLN HB2 H 8.626 -7.679 1.476 1.00 . A A . 64 GLN HB2 1 1 8 4247 1 1 20 GLN HB3 H 7.865 -7.870 3.050 1.00 . A A . 64 GLN HB3 1 1 8 4248 1 1 20 GLN HE21 H 5.743 -6.750 -0.577 1.00 . A A . 64 GLN HE21 1 1 8 4249 1 1 20 GLN HE22 H 4.842 -8.179 -0.339 1.00 . A A . 64 GLN HE22 1 1 8 4250 1 1 20 GLN HG2 H 6.379 -5.935 2.541 1.00 . A A . 64 GLN HG2 1 1 8 4251 1 1 20 GLN HG3 H 7.112 -5.821 0.941 1.00 . A A . 64 GLN HG3 1 1 8 4252 1 1 20 GLN N N 8.478 -4.775 2.713 1.00 . A A . 64 GLN N 1 1 8 4253 1 1 20 GLN NE2 N 5.459 -7.492 0.003 1.00 . A A . 64 GLN NE2 1 1 8 4254 1 1 20 GLN O O 10.862 -5.201 1.528 1.00 . A A . 64 GLN O 1 1 8 4255 1 1 20 GLN OE1 O 5.552 -8.483 1.946 1.00 . A A . 64 GLN OE1 1 1 8 4256 1 1 21 LEU C C 12.312 -7.767 0.094 1.00 . A A . 65 LEU C 1 1 8 4257 1 1 21 LEU CA C 12.481 -7.356 1.556 1.00 . A A . 65 LEU CA 1 1 8 4258 1 1 21 LEU CB C 13.247 -8.429 2.330 1.00 . A A . 65 LEU CB 1 1 8 4259 1 1 21 LEU CD1 C 15.154 -7.229 3.409 1.00 . A A . 65 LEU CD1 1 1 8 4260 1 1 21 LEU CD2 C 15.522 -9.458 2.343 1.00 . A A . 65 LEU CD2 1 1 8 4261 1 1 21 LEU CG C 14.747 -8.142 2.250 1.00 . A A . 65 LEU CG 1 1 8 4262 1 1 21 LEU H H 10.812 -8.020 2.752 1.00 . A A . 65 LEU H 1 1 8 4263 1 1 21 LEU HA H 12.998 -6.417 1.619 1.00 . A A . 65 LEU HA 1 1 8 4264 1 1 21 LEU HB2 H 12.931 -8.420 3.362 1.00 . A A . 65 LEU HB2 1 1 8 4265 1 1 21 LEU HB3 H 13.043 -9.397 1.898 1.00 . A A . 65 LEU HB3 1 1 8 4266 1 1 21 LEU HD11 H 14.548 -7.452 4.274 1.00 . A A . 65 LEU HD11 1 1 8 4267 1 1 21 LEU HD12 H 16.195 -7.392 3.646 1.00 . A A . 65 LEU HD12 1 1 8 4268 1 1 21 LEU HD13 H 15.008 -6.198 3.122 1.00 . A A . 65 LEU HD13 1 1 8 4269 1 1 21 LEU HD21 H 14.951 -10.173 2.918 1.00 . A A . 65 LEU HD21 1 1 8 4270 1 1 21 LEU HD22 H 15.691 -9.848 1.350 1.00 . A A . 65 LEU HD22 1 1 8 4271 1 1 21 LEU HD23 H 16.471 -9.284 2.828 1.00 . A A . 65 LEU HD23 1 1 8 4272 1 1 21 LEU HG H 14.971 -7.655 1.312 1.00 . A A . 65 LEU HG 1 1 8 4273 1 1 21 LEU N N 11.154 -7.260 2.236 1.00 . A A . 65 LEU N 1 1 8 4274 1 1 21 LEU O O 13.204 -7.609 -0.715 1.00 . A A . 65 LEU O 1 1 8 4275 1 1 22 GLN C C 10.129 -7.640 -2.395 1.00 . A A . 66 GLN C 1 1 8 4276 1 1 22 GLN CA C 10.939 -8.710 -1.660 1.00 . A A . 66 GLN CA 1 1 8 4277 1 1 22 GLN CB C 10.143 -10.012 -1.559 1.00 . A A . 66 GLN CB 1 1 8 4278 1 1 22 GLN CD C 9.075 -10.394 0.667 1.00 . A A . 66 GLN CD 1 1 8 4279 1 1 22 GLN CG C 8.886 -9.778 -0.721 1.00 . A A . 66 GLN CG 1 1 8 4280 1 1 22 GLN H H 10.472 -8.401 0.423 1.00 . A A . 66 GLN H 1 1 8 4281 1 1 22 GLN HA H 11.877 -8.887 -2.163 1.00 . A A . 66 GLN HA 1 1 8 4282 1 1 22 GLN HB2 H 9.862 -10.339 -2.550 1.00 . A A . 66 GLN HB2 1 1 8 4283 1 1 22 GLN HB3 H 10.751 -10.769 -1.089 1.00 . A A . 66 GLN HB3 1 1 8 4284 1 1 22 GLN HE21 H 9.827 -12.093 -0.034 1.00 . A A . 66 GLN HE21 1 1 8 4285 1 1 22 GLN HE22 H 9.701 -11.998 1.655 1.00 . A A . 66 GLN HE22 1 1 8 4286 1 1 22 GLN HG2 H 8.711 -8.716 -0.623 1.00 . A A . 66 GLN HG2 1 1 8 4287 1 1 22 GLN HG3 H 8.039 -10.240 -1.204 1.00 . A A . 66 GLN HG3 1 1 8 4288 1 1 22 GLN N N 11.174 -8.288 -0.249 1.00 . A A . 66 GLN N 1 1 8 4289 1 1 22 GLN NE2 N 9.576 -11.595 0.771 1.00 . A A . 66 GLN NE2 1 1 8 4290 1 1 22 GLN O O 10.146 -7.552 -3.606 1.00 . A A . 66 GLN O 1 1 8 4291 1 1 22 GLN OE1 O 8.764 -9.777 1.666 1.00 . A A . 66 GLN OE1 1 1 8 4292 1 1 23 SER C C 7.861 -4.969 -1.217 1.00 . A A . 67 SER C 1 1 8 4293 1 1 23 SER CA C 8.604 -5.755 -2.300 1.00 . A A . 67 SER CA 1 1 8 4294 1 1 23 SER CB C 7.620 -6.495 -3.206 1.00 . A A . 67 SER CB 1 1 8 4295 1 1 23 SER H H 9.426 -6.919 -0.688 1.00 . A A . 67 SER H 1 1 8 4296 1 1 23 SER HA H 9.228 -5.099 -2.886 1.00 . A A . 67 SER HA 1 1 8 4297 1 1 23 SER HB2 H 8.054 -7.425 -3.531 1.00 . A A . 67 SER HB2 1 1 8 4298 1 1 23 SER HB3 H 6.710 -6.699 -2.657 1.00 . A A . 67 SER HB3 1 1 8 4299 1 1 23 SER HG H 7.665 -6.147 -5.120 1.00 . A A . 67 SER HG 1 1 8 4300 1 1 23 SER N N 9.421 -6.826 -1.663 1.00 . A A . 67 SER N 1 1 8 4301 1 1 23 SER O O 8.421 -4.635 -0.193 1.00 . A A . 67 SER O 1 1 8 4302 1 1 23 SER OG O 7.333 -5.692 -4.343 1.00 . A A . 67 SER OG 1 1 8 4303 1 1 24 TYR C C 4.337 -4.116 -0.622 1.00 . A A . 68 TYR C 1 1 8 4304 1 1 24 TYR CA C 5.837 -3.923 -0.393 1.00 . A A . 68 TYR CA 1 1 8 4305 1 1 24 TYR CB C 6.244 -2.461 -0.576 1.00 . A A . 68 TYR CB 1 1 8 4306 1 1 24 TYR CD1 C 6.363 -2.088 -3.063 1.00 . A A . 68 TYR CD1 1 1 8 4307 1 1 24 TYR CD2 C 4.438 -1.250 -1.854 1.00 . A A . 68 TYR CD2 1 1 8 4308 1 1 24 TYR CE1 C 5.834 -1.584 -4.257 1.00 . A A . 68 TYR CE1 1 1 8 4309 1 1 24 TYR CE2 C 3.908 -0.745 -3.048 1.00 . A A . 68 TYR CE2 1 1 8 4310 1 1 24 TYR CG C 5.665 -1.923 -1.863 1.00 . A A . 68 TYR CG 1 1 8 4311 1 1 24 TYR CZ C 4.607 -0.912 -4.249 1.00 . A A . 68 TYR CZ 1 1 8 4312 1 1 24 TYR H H 6.167 -4.956 -2.254 1.00 . A A . 68 TYR H 1 1 8 4313 1 1 24 TYR HA H 6.110 -4.258 0.595 1.00 . A A . 68 TYR HA 1 1 8 4314 1 1 24 TYR HB2 H 5.878 -1.876 0.257 1.00 . A A . 68 TYR HB2 1 1 8 4315 1 1 24 TYR HB3 H 7.322 -2.398 -0.612 1.00 . A A . 68 TYR HB3 1 1 8 4316 1 1 24 TYR HD1 H 7.312 -2.605 -3.067 1.00 . A A . 68 TYR HD1 1 1 8 4317 1 1 24 TYR HD2 H 3.898 -1.121 -0.927 1.00 . A A . 68 TYR HD2 1 1 8 4318 1 1 24 TYR HE1 H 6.375 -1.712 -5.184 1.00 . A A . 68 TYR HE1 1 1 8 4319 1 1 24 TYR HE2 H 2.961 -0.224 -3.042 1.00 . A A . 68 TYR HE2 1 1 8 4320 1 1 24 TYR HH H 3.213 -0.058 -5.237 1.00 . A A . 68 TYR HH 1 1 8 4321 1 1 24 TYR N N 6.606 -4.676 -1.424 1.00 . A A . 68 TYR N 1 1 8 4322 1 1 24 TYR O O 3.885 -4.278 -1.738 1.00 . A A . 68 TYR O 1 1 8 4323 1 1 24 TYR OH O 4.085 -0.413 -5.426 1.00 . A A . 68 TYR OH 1 1 8 4324 1 1 25 ILE C C 1.320 -3.356 1.177 1.00 . A A . 69 ILE C 1 1 8 4325 1 1 25 ILE CA C 2.093 -4.314 0.267 1.00 . A A . 69 ILE CA 1 1 8 4326 1 1 25 ILE CB C 1.858 -5.772 0.668 1.00 . A A . 69 ILE CB 1 1 8 4327 1 1 25 ILE CD1 C 1.626 -8.078 -0.254 1.00 . A A . 69 ILE CD1 1 1 8 4328 1 1 25 ILE CG1 C 2.115 -6.662 -0.548 1.00 . A A . 69 ILE CG1 1 1 8 4329 1 1 25 ILE CG2 C 0.414 -5.966 1.141 1.00 . A A . 69 ILE CG2 1 1 8 4330 1 1 25 ILE H H 3.950 -3.990 1.320 1.00 . A A . 69 ILE H 1 1 8 4331 1 1 25 ILE HA H 1.805 -4.170 -0.762 1.00 . A A . 69 ILE HA 1 1 8 4332 1 1 25 ILE HB H 2.537 -6.042 1.463 1.00 . A A . 69 ILE HB 1 1 8 4333 1 1 25 ILE HD11 H 1.939 -8.369 0.737 1.00 . A A . 69 ILE HD11 1 1 8 4334 1 1 25 ILE HD12 H 0.548 -8.104 -0.314 1.00 . A A . 69 ILE HD12 1 1 8 4335 1 1 25 ILE HD13 H 2.043 -8.761 -0.979 1.00 . A A . 69 ILE HD13 1 1 8 4336 1 1 25 ILE HG12 H 1.584 -6.264 -1.400 1.00 . A A . 69 ILE HG12 1 1 8 4337 1 1 25 ILE HG13 H 3.174 -6.685 -0.759 1.00 . A A . 69 ILE HG13 1 1 8 4338 1 1 25 ILE HG21 H -0.265 -5.588 0.391 1.00 . A A . 69 ILE HG21 1 1 8 4339 1 1 25 ILE HG22 H 0.226 -7.018 1.300 1.00 . A A . 69 ILE HG22 1 1 8 4340 1 1 25 ILE HG23 H 0.264 -5.430 2.067 1.00 . A A . 69 ILE HG23 1 1 8 4341 1 1 25 ILE N N 3.563 -4.114 0.427 1.00 . A A . 69 ILE N 1 1 8 4342 1 1 25 ILE O O 1.492 -3.346 2.377 1.00 . A A . 69 ILE O 1 1 8 4343 1 1 26 CYS C C -1.496 -2.292 2.116 1.00 . A A . 70 CYS C 1 1 8 4344 1 1 26 CYS CA C -0.311 -1.595 1.445 1.00 . A A . 70 CYS CA 1 1 8 4345 1 1 26 CYS CB C -0.813 -0.539 0.468 1.00 . A A . 70 CYS CB 1 1 8 4346 1 1 26 CYS H H 0.340 -2.575 -0.359 1.00 . A A . 70 CYS H 1 1 8 4347 1 1 26 CYS HA H 0.322 -1.136 2.182 1.00 . A A . 70 CYS HA 1 1 8 4348 1 1 26 CYS HB2 H -1.325 -1.021 -0.348 1.00 . A A . 70 CYS HB2 1 1 8 4349 1 1 26 CYS HB3 H -1.491 0.122 0.982 1.00 . A A . 70 CYS HB3 1 1 8 4350 1 1 26 CYS N N 0.467 -2.552 0.612 1.00 . A A . 70 CYS N 1 1 8 4351 1 1 26 CYS O O -2.107 -3.181 1.556 1.00 . A A . 70 CYS O 1 1 8 4352 1 1 26 CYS SG S 0.583 0.412 -0.172 1.00 . A A . 70 CYS SG 1 1 8 4353 1 1 27 PHE C C -4.151 -1.507 4.059 1.00 . A A . 71 PHE C 1 1 8 4354 1 1 27 PHE CA C -2.988 -2.501 4.013 1.00 . A A . 71 PHE CA 1 1 8 4355 1 1 27 PHE CB C -2.483 -2.803 5.422 1.00 . A A . 71 PHE CB 1 1 8 4356 1 1 27 PHE CD1 C -1.648 -5.008 4.530 1.00 . A A . 71 PHE CD1 1 1 8 4357 1 1 27 PHE CD2 C -0.285 -3.808 6.139 1.00 . A A . 71 PHE CD2 1 1 8 4358 1 1 27 PHE CE1 C -0.687 -6.025 4.476 1.00 . A A . 71 PHE CE1 1 1 8 4359 1 1 27 PHE CE2 C 0.675 -4.825 6.083 1.00 . A A . 71 PHE CE2 1 1 8 4360 1 1 27 PHE CG C -1.447 -3.900 5.363 1.00 . A A . 71 PHE CG 1 1 8 4361 1 1 27 PHE CZ C 0.474 -5.934 5.252 1.00 . A A . 71 PHE CZ 1 1 8 4362 1 1 27 PHE H H -1.333 -1.154 3.733 1.00 . A A . 71 PHE H 1 1 8 4363 1 1 27 PHE HA H -3.288 -3.413 3.522 1.00 . A A . 71 PHE HA 1 1 8 4364 1 1 27 PHE HB2 H -2.040 -1.911 5.846 1.00 . A A . 71 PHE HB2 1 1 8 4365 1 1 27 PHE HB3 H -3.311 -3.123 6.039 1.00 . A A . 71 PHE HB3 1 1 8 4366 1 1 27 PHE HD1 H -2.544 -5.079 3.932 1.00 . A A . 71 PHE HD1 1 1 8 4367 1 1 27 PHE HD2 H -0.130 -2.953 6.779 1.00 . A A . 71 PHE HD2 1 1 8 4368 1 1 27 PHE HE1 H -0.842 -6.880 3.834 1.00 . A A . 71 PHE HE1 1 1 8 4369 1 1 27 PHE HE2 H 1.571 -4.755 6.682 1.00 . A A . 71 PHE HE2 1 1 8 4370 1 1 27 PHE HZ H 1.214 -6.718 5.210 1.00 . A A . 71 PHE HZ 1 1 8 4371 1 1 27 PHE N N -1.833 -1.881 3.306 1.00 . A A . 71 PHE N 1 1 8 4372 1 1 27 PHE O O -4.339 -0.799 5.028 1.00 . A A . 71 PHE O 1 1 8 4373 1 1 28 CYS C C -7.047 -0.795 4.117 1.00 . A A . 72 CYS C 1 1 8 4374 1 1 28 CYS CA C -6.068 -0.490 2.982 1.00 . A A . 72 CYS CA 1 1 8 4375 1 1 28 CYS CB C -6.738 -0.710 1.624 1.00 . A A . 72 CYS CB 1 1 8 4376 1 1 28 CYS H H -4.744 -2.022 2.242 1.00 . A A . 72 CYS H 1 1 8 4377 1 1 28 CYS HA H -5.712 0.526 3.055 1.00 . A A . 72 CYS HA 1 1 8 4378 1 1 28 CYS HB2 H -7.212 -1.680 1.612 1.00 . A A . 72 CYS HB2 1 1 8 4379 1 1 28 CYS HB3 H -7.481 0.058 1.462 1.00 . A A . 72 CYS HB3 1 1 8 4380 1 1 28 CYS N N -4.922 -1.444 3.012 1.00 . A A . 72 CYS N 1 1 8 4381 1 1 28 CYS O O -6.786 -1.619 4.971 1.00 . A A . 72 CYS O 1 1 8 4382 1 1 28 CYS SG S -5.494 -0.633 0.310 1.00 . A A . 72 CYS SG 1 1 8 4383 1 1 29 LEU C C -10.233 -1.376 4.714 1.00 . A A . 73 LEU C 1 1 8 4384 1 1 29 LEU CA C -9.174 -0.388 5.209 1.00 . A A . 73 LEU CA 1 1 8 4385 1 1 29 LEU CB C -9.804 0.979 5.494 1.00 . A A . 73 LEU CB 1 1 8 4386 1 1 29 LEU CD1 C -9.370 3.440 5.631 1.00 . A A . 73 LEU CD1 1 1 8 4387 1 1 29 LEU CD2 C -7.787 1.830 6.703 1.00 . A A . 73 LEU CD2 1 1 8 4388 1 1 29 LEU CG C -8.719 2.059 5.509 1.00 . A A . 73 LEU CG 1 1 8 4389 1 1 29 LEU H H -8.364 0.523 3.431 1.00 . A A . 73 LEU H 1 1 8 4390 1 1 29 LEU HA H -8.688 -0.764 6.095 1.00 . A A . 73 LEU HA 1 1 8 4391 1 1 29 LEU HB2 H -10.529 1.206 4.726 1.00 . A A . 73 LEU HB2 1 1 8 4392 1 1 29 LEU HB3 H -10.295 0.954 6.455 1.00 . A A . 73 LEU HB3 1 1 8 4393 1 1 29 LEU HD11 H -9.952 3.485 6.541 1.00 . A A . 73 LEU HD11 1 1 8 4394 1 1 29 LEU HD12 H -8.603 4.200 5.658 1.00 . A A . 73 LEU HD12 1 1 8 4395 1 1 29 LEU HD13 H -10.016 3.610 4.782 1.00 . A A . 73 LEU HD13 1 1 8 4396 1 1 29 LEU HD21 H -7.560 0.777 6.785 1.00 . A A . 73 LEU HD21 1 1 8 4397 1 1 29 LEU HD22 H -6.872 2.386 6.558 1.00 . A A . 73 LEU HD22 1 1 8 4398 1 1 29 LEU HD23 H -8.272 2.165 7.608 1.00 . A A . 73 LEU HD23 1 1 8 4399 1 1 29 LEU HG H -8.151 2.011 4.591 1.00 . A A . 73 LEU HG 1 1 8 4400 1 1 29 LEU N N -8.173 -0.137 4.131 1.00 . A A . 73 LEU N 1 1 8 4401 1 1 29 LEU O O -10.160 -1.856 3.600 1.00 . A A . 73 LEU O 1 1 8 4402 1 1 30 PRO C C -13.075 -2.046 4.017 1.00 . A A . 74 PRO C 1 1 8 4403 1 1 30 PRO CA C -12.276 -2.591 5.203 1.00 . A A . 74 PRO CA 1 1 8 4404 1 1 30 PRO CB C -13.146 -2.660 6.461 1.00 . A A . 74 PRO CB 1 1 8 4405 1 1 30 PRO CD C -11.344 -1.114 6.916 1.00 . A A . 74 PRO CD 1 1 8 4406 1 1 30 PRO CG C -12.323 -2.058 7.558 1.00 . A A . 74 PRO CG 1 1 8 4407 1 1 30 PRO HA H -11.875 -3.564 4.976 1.00 . A A . 74 PRO HA 1 1 8 4408 1 1 30 PRO HB2 H -14.055 -2.089 6.316 1.00 . A A . 74 PRO HB2 1 1 8 4409 1 1 30 PRO HB3 H -13.382 -3.687 6.697 1.00 . A A . 74 PRO HB3 1 1 8 4410 1 1 30 PRO HD2 H -11.750 -0.113 6.888 1.00 . A A . 74 PRO HD2 1 1 8 4411 1 1 30 PRO HD3 H -10.400 -1.132 7.436 1.00 . A A . 74 PRO HD3 1 1 8 4412 1 1 30 PRO HG2 H -12.962 -1.520 8.243 1.00 . A A . 74 PRO HG2 1 1 8 4413 1 1 30 PRO HG3 H -11.788 -2.833 8.084 1.00 . A A . 74 PRO HG3 1 1 8 4414 1 1 30 PRO N N -11.188 -1.649 5.563 1.00 . A A . 74 PRO N 1 1 8 4415 1 1 30 PRO O O -13.877 -2.738 3.423 1.00 . A A . 74 PRO O 1 1 8 4416 1 1 31 ALA C C -12.924 -0.586 1.201 1.00 . A A . 75 ALA C 1 1 8 4417 1 1 31 ALA CA C -13.600 -0.211 2.522 1.00 . A A . 75 ALA CA 1 1 8 4418 1 1 31 ALA CB C -13.526 1.299 2.749 1.00 . A A . 75 ALA CB 1 1 8 4419 1 1 31 ALA H H -12.207 -0.270 4.163 1.00 . A A . 75 ALA H 1 1 8 4420 1 1 31 ALA HA H -14.628 -0.535 2.527 1.00 . A A . 75 ALA HA 1 1 8 4421 1 1 31 ALA HB1 H -12.520 1.572 3.030 1.00 . A A . 75 ALA HB1 1 1 8 4422 1 1 31 ALA HB2 H -13.797 1.813 1.839 1.00 . A A . 75 ALA HB2 1 1 8 4423 1 1 31 ALA HB3 H -14.209 1.579 3.537 1.00 . A A . 75 ALA HB3 1 1 8 4424 1 1 31 ALA N N -12.858 -0.808 3.669 1.00 . A A . 75 ALA N 1 1 8 4425 1 1 31 ALA O O -13.562 -0.677 0.171 1.00 . A A . 75 ALA O 1 1 8 4426 1 1 32 PHE C C -10.233 -2.525 0.126 1.00 . A A . 76 PHE C 1 1 8 4427 1 1 32 PHE CA C -10.924 -1.167 -0.035 1.00 . A A . 76 PHE CA 1 1 8 4428 1 1 32 PHE CB C -9.888 -0.059 -0.248 1.00 . A A . 76 PHE CB 1 1 8 4429 1 1 32 PHE CD1 C -10.559 1.777 1.342 1.00 . A A . 76 PHE CD1 1 1 8 4430 1 1 32 PHE CD2 C -11.054 2.041 -1.016 1.00 . A A . 76 PHE CD2 1 1 8 4431 1 1 32 PHE CE1 C -11.141 3.023 1.604 1.00 . A A . 76 PHE CE1 1 1 8 4432 1 1 32 PHE CE2 C -11.636 3.287 -0.755 1.00 . A A . 76 PHE CE2 1 1 8 4433 1 1 32 PHE CG C -10.516 1.286 0.032 1.00 . A A . 76 PHE CG 1 1 8 4434 1 1 32 PHE CZ C -11.680 3.778 0.556 1.00 . A A . 76 PHE CZ 1 1 8 4435 1 1 32 PHE H H -11.140 -0.721 2.058 1.00 . A A . 76 PHE H 1 1 8 4436 1 1 32 PHE HA H -11.613 -1.192 -0.860 1.00 . A A . 76 PHE HA 1 1 8 4437 1 1 32 PHE HB2 H -9.053 -0.213 0.421 1.00 . A A . 76 PHE HB2 1 1 8 4438 1 1 32 PHE HB3 H -9.541 -0.086 -1.272 1.00 . A A . 76 PHE HB3 1 1 8 4439 1 1 32 PHE HD1 H -10.143 1.195 2.151 1.00 . A A . 76 PHE HD1 1 1 8 4440 1 1 32 PHE HD2 H -11.022 1.661 -2.028 1.00 . A A . 76 PHE HD2 1 1 8 4441 1 1 32 PHE HE1 H -11.173 3.402 2.615 1.00 . A A . 76 PHE HE1 1 1 8 4442 1 1 32 PHE HE2 H -12.054 3.869 -1.564 1.00 . A A . 76 PHE HE2 1 1 8 4443 1 1 32 PHE HZ H -12.128 4.739 0.757 1.00 . A A . 76 PHE HZ 1 1 8 4444 1 1 32 PHE N N -11.637 -0.801 1.221 1.00 . A A . 76 PHE N 1 1 8 4445 1 1 32 PHE O O -10.057 -3.015 1.222 1.00 . A A . 76 PHE O 1 1 8 4446 1 1 33 GLU C C -8.219 -4.651 -2.060 1.00 . A A . 77 GLU C 1 1 8 4447 1 1 33 GLU CA C -9.162 -4.457 -0.869 1.00 . A A . 77 GLU CA 1 1 8 4448 1 1 33 GLU CB C -10.293 -5.486 -0.909 1.00 . A A . 77 GLU CB 1 1 8 4449 1 1 33 GLU CD C -10.155 -7.856 -1.687 1.00 . A A . 77 GLU CD 1 1 8 4450 1 1 33 GLU CG C -9.732 -6.874 -0.593 1.00 . A A . 77 GLU CG 1 1 8 4451 1 1 33 GLU H H -9.993 -2.719 -1.836 1.00 . A A . 77 GLU H 1 1 8 4452 1 1 33 GLU HA H -8.620 -4.540 0.060 1.00 . A A . 77 GLU HA 1 1 8 4453 1 1 33 GLU HB2 H -11.043 -5.224 -0.177 1.00 . A A . 77 GLU HB2 1 1 8 4454 1 1 33 GLU HB3 H -10.738 -5.494 -1.893 1.00 . A A . 77 GLU HB3 1 1 8 4455 1 1 33 GLU HG2 H -8.654 -6.825 -0.549 1.00 . A A . 77 GLU HG2 1 1 8 4456 1 1 33 GLU HG3 H -10.116 -7.210 0.358 1.00 . A A . 77 GLU HG3 1 1 8 4457 1 1 33 GLU N N -9.842 -3.133 -0.960 1.00 . A A . 77 GLU N 1 1 8 4458 1 1 33 GLU O O -8.487 -5.423 -2.958 1.00 . A A . 77 GLU O 1 1 8 4459 1 1 33 GLU OE1 O -9.568 -7.810 -2.756 1.00 . A A . 77 GLU OE1 1 1 8 4460 1 1 33 GLU OE2 O -11.057 -8.638 -1.437 1.00 . A A . 77 GLU OE2 1 1 8 4461 1 1 34 GLY C C -4.760 -3.669 -2.754 1.00 . A A . 78 GLY C 1 1 8 4462 1 1 34 GLY CA C -6.158 -4.098 -3.207 1.00 . A A . 78 GLY CA 1 1 8 4463 1 1 34 GLY H H -6.917 -3.335 -1.340 1.00 . A A . 78 GLY H 1 1 8 4464 1 1 34 GLY HA2 H -6.134 -5.130 -3.527 1.00 . A A . 78 GLY HA2 1 1 8 4465 1 1 34 GLY HA3 H -6.474 -3.473 -4.027 1.00 . A A . 78 GLY HA3 1 1 8 4466 1 1 34 GLY N N -7.116 -3.953 -2.073 1.00 . A A . 78 GLY N 1 1 8 4467 1 1 34 GLY O O -4.592 -3.063 -1.716 1.00 . A A . 78 GLY O 1 1 8 4468 1 1 35 ARG C C -2.256 -2.068 -3.043 1.00 . A A . 79 ARG C 1 1 8 4469 1 1 35 ARG CA C -2.369 -3.591 -3.142 1.00 . A A . 79 ARG CA 1 1 8 4470 1 1 35 ARG CB C -1.484 -4.123 -4.269 1.00 . A A . 79 ARG CB 1 1 8 4471 1 1 35 ARG CD C 0.528 -5.468 -3.637 1.00 . A A . 79 ARG CD 1 1 8 4472 1 1 35 ARG CG C -0.015 -4.052 -3.843 1.00 . A A . 79 ARG CG 1 1 8 4473 1 1 35 ARG CZ C 0.932 -6.217 -5.904 1.00 . A A . 79 ARG CZ 1 1 8 4474 1 1 35 ARG H H -3.913 -4.471 -4.361 1.00 . A A . 79 ARG H 1 1 8 4475 1 1 35 ARG HA H -2.094 -4.052 -2.206 1.00 . A A . 79 ARG HA 1 1 8 4476 1 1 35 ARG HB2 H -1.748 -5.150 -4.480 1.00 . A A . 79 ARG HB2 1 1 8 4477 1 1 35 ARG HB3 H -1.628 -3.524 -5.154 1.00 . A A . 79 ARG HB3 1 1 8 4478 1 1 35 ARG HD2 H 1.603 -5.444 -3.532 1.00 . A A . 79 ARG HD2 1 1 8 4479 1 1 35 ARG HD3 H 0.074 -5.924 -2.771 1.00 . A A . 79 ARG HD3 1 1 8 4480 1 1 35 ARG HE H -0.712 -6.696 -4.899 1.00 . A A . 79 ARG HE 1 1 8 4481 1 1 35 ARG HG2 H 0.557 -3.553 -4.611 1.00 . A A . 79 ARG HG2 1 1 8 4482 1 1 35 ARG HG3 H 0.064 -3.500 -2.918 1.00 . A A . 79 ARG HG3 1 1 8 4483 1 1 35 ARG HH11 H 0.474 -4.349 -6.458 1.00 . A A . 79 ARG HH11 1 1 8 4484 1 1 35 ARG HH12 H 1.624 -5.167 -7.461 1.00 . A A . 79 ARG HH12 1 1 8 4485 1 1 35 ARG HH21 H 1.576 -8.087 -5.592 1.00 . A A . 79 ARG HH21 1 1 8 4486 1 1 35 ARG HH22 H 2.249 -7.283 -6.971 1.00 . A A . 79 ARG HH22 1 1 8 4487 1 1 35 ARG N N -3.757 -3.981 -3.527 1.00 . A A . 79 ARG N 1 1 8 4488 1 1 35 ARG NE N 0.140 -6.211 -4.867 1.00 . A A . 79 ARG NE 1 1 8 4489 1 1 35 ARG NH1 N 1.017 -5.163 -6.667 1.00 . A A . 79 ARG NH1 1 1 8 4490 1 1 35 ARG NH2 N 1.641 -7.279 -6.176 1.00 . A A . 79 ARG NH2 1 1 8 4491 1 1 35 ARG O O -1.293 -1.539 -2.525 1.00 . A A . 79 ARG O 1 1 8 4492 1 1 36 ASN C C -4.570 0.694 -3.156 1.00 . A A . 80 ASN C 1 1 8 4493 1 1 36 ASN CA C -3.182 0.131 -3.472 1.00 . A A . 80 ASN CA 1 1 8 4494 1 1 36 ASN CB C -2.730 0.571 -4.864 1.00 . A A . 80 ASN CB 1 1 8 4495 1 1 36 ASN CG C -1.508 -0.245 -5.286 1.00 . A A . 80 ASN CG 1 1 8 4496 1 1 36 ASN H H -4.001 -1.804 -3.951 1.00 . A A . 80 ASN H 1 1 8 4497 1 1 36 ASN HA H -2.467 0.453 -2.732 1.00 . A A . 80 ASN HA 1 1 8 4498 1 1 36 ASN HB2 H -3.533 0.411 -5.570 1.00 . A A . 80 ASN HB2 1 1 8 4499 1 1 36 ASN HB3 H -2.471 1.619 -4.845 1.00 . A A . 80 ASN HB3 1 1 8 4500 1 1 36 ASN HD21 H -0.247 0.800 -4.160 1.00 . A A . 80 ASN HD21 1 1 8 4501 1 1 36 ASN HD22 H 0.455 -0.466 -5.062 1.00 . A A . 80 ASN HD22 1 1 8 4502 1 1 36 ASN N N -3.234 -1.358 -3.537 1.00 . A A . 80 ASN N 1 1 8 4503 1 1 36 ASN ND2 N -0.336 0.055 -4.796 1.00 . A A . 80 ASN ND2 1 1 8 4504 1 1 36 ASN O O -4.882 1.824 -3.478 1.00 . A A . 80 ASN O 1 1 8 4505 1 1 36 ASN OD1 O -1.619 -1.166 -6.072 1.00 . A A . 80 ASN OD1 1 1 8 4506 1 1 37 CYS C C -7.540 0.746 -3.483 1.00 . A A . 81 CYS C 1 1 8 4507 1 1 37 CYS CA C -6.779 0.400 -2.201 1.00 . A A . 81 CYS CA 1 1 8 4508 1 1 37 CYS CB C -6.568 1.656 -1.351 1.00 . A A . 81 CYS CB 1 1 8 4509 1 1 37 CYS H H -5.139 -0.997 -2.285 1.00 . A A . 81 CYS H 1 1 8 4510 1 1 37 CYS HA H -7.316 -0.344 -1.632 1.00 . A A . 81 CYS HA 1 1 8 4511 1 1 37 CYS HB2 H -6.242 2.467 -1.986 1.00 . A A . 81 CYS HB2 1 1 8 4512 1 1 37 CYS HB3 H -7.498 1.924 -0.874 1.00 . A A . 81 CYS HB3 1 1 8 4513 1 1 37 CYS N N -5.409 -0.087 -2.533 1.00 . A A . 81 CYS N 1 1 8 4514 1 1 37 CYS O O -8.583 1.368 -3.449 1.00 . A A . 81 CYS O 1 1 8 4515 1 1 37 CYS SG S -5.311 1.338 -0.087 1.00 . A A . 81 CYS SG 1 1 8 4516 1 1 38 GLU C C -9.032 -0.124 -5.990 1.00 . A A . 82 GLU C 1 1 8 4517 1 1 38 GLU CA C -7.719 0.658 -5.899 1.00 . A A . 82 GLU CA 1 1 8 4518 1 1 38 GLU CB C -6.745 0.211 -6.991 1.00 . A A . 82 GLU CB 1 1 8 4519 1 1 38 GLU CD C -6.543 -0.477 -9.386 1.00 . A A . 82 GLU CD 1 1 8 4520 1 1 38 GLU CG C -7.489 0.086 -8.323 1.00 . A A . 82 GLU CG 1 1 8 4521 1 1 38 GLU H H -6.182 -0.150 -4.623 1.00 . A A . 82 GLU H 1 1 8 4522 1 1 38 GLU HA H -7.905 1.717 -5.982 1.00 . A A . 82 GLU HA 1 1 8 4523 1 1 38 GLU HB2 H -5.955 0.943 -7.089 1.00 . A A . 82 GLU HB2 1 1 8 4524 1 1 38 GLU HB3 H -6.321 -0.747 -6.726 1.00 . A A . 82 GLU HB3 1 1 8 4525 1 1 38 GLU HG2 H -8.333 -0.579 -8.202 1.00 . A A . 82 GLU HG2 1 1 8 4526 1 1 38 GLU HG3 H -7.839 1.058 -8.633 1.00 . A A . 82 GLU HG3 1 1 8 4527 1 1 38 GLU N N -7.026 0.350 -4.615 1.00 . A A . 82 GLU N 1 1 8 4528 1 1 38 GLU O O -9.930 0.235 -6.725 1.00 . A A . 82 GLU O 1 1 8 4529 1 1 38 GLU OE1 O -5.346 -0.464 -9.151 1.00 . A A . 82 GLU OE1 1 1 8 4530 1 1 38 GLU OE2 O -7.032 -0.909 -10.416 1.00 . A A . 82 GLU OE2 1 1 8 4531 1 1 39 THR C C -11.431 -1.424 -4.303 1.00 . A A . 83 THR C 1 1 8 4532 1 1 39 THR CA C -10.408 -1.992 -5.291 1.00 . A A . 83 THR CA 1 1 8 4533 1 1 39 THR CB C -9.992 -3.405 -4.880 1.00 . A A . 83 THR CB 1 1 8 4534 1 1 39 THR CG2 C -11.186 -4.351 -5.014 1.00 . A A . 83 THR CG2 1 1 8 4535 1 1 39 THR H H -8.416 -1.463 -4.659 1.00 . A A . 83 THR H 1 1 8 4536 1 1 39 THR HA H -10.815 -2.003 -6.290 1.00 . A A . 83 THR HA 1 1 8 4537 1 1 39 THR HB H -9.657 -3.399 -3.855 1.00 . A A . 83 THR HB 1 1 8 4538 1 1 39 THR HG1 H -8.111 -3.511 -5.366 1.00 . A A . 83 THR HG1 1 1 8 4539 1 1 39 THR HG21 H -11.935 -3.898 -5.647 1.00 . A A . 83 THR HG21 1 1 8 4540 1 1 39 THR HG22 H -10.860 -5.283 -5.452 1.00 . A A . 83 THR HG22 1 1 8 4541 1 1 39 THR HG23 H -11.606 -4.540 -4.037 1.00 . A A . 83 THR HG23 1 1 8 4542 1 1 39 THR N N -9.152 -1.190 -5.247 1.00 . A A . 83 THR N 1 1 8 4543 1 1 39 THR O O -11.683 -1.995 -3.259 1.00 . A A . 83 THR O 1 1 8 4544 1 1 39 THR OG1 O -8.936 -3.850 -5.722 1.00 . A A . 83 THR OG1 1 1 8 4545 1 1 40 HIS C C -14.214 -0.653 -3.520 1.00 . A A . 84 HIS C 1 1 8 4546 1 1 40 HIS CA C -13.026 0.297 -3.700 1.00 . A A . 84 HIS CA 1 1 8 4547 1 1 40 HIS CB C -13.472 1.589 -4.386 1.00 . A A . 84 HIS CB 1 1 8 4548 1 1 40 HIS CD2 C -11.295 3.049 -4.183 1.00 . A A . 84 HIS CD2 1 1 8 4549 1 1 40 HIS CE1 C -10.812 3.186 -6.291 1.00 . A A . 84 HIS CE1 1 1 8 4550 1 1 40 HIS CG C -12.263 2.349 -4.860 1.00 . A A . 84 HIS CG 1 1 8 4551 1 1 40 HIS H H -11.803 0.138 -5.469 1.00 . A A . 84 HIS H 1 1 8 4552 1 1 40 HIS HA H -12.575 0.522 -2.747 1.00 . A A . 84 HIS HA 1 1 8 4553 1 1 40 HIS HB2 H -14.100 1.350 -5.231 1.00 . A A . 84 HIS HB2 1 1 8 4554 1 1 40 HIS HB3 H -14.024 2.196 -3.685 1.00 . A A . 84 HIS HB3 1 1 8 4555 1 1 40 HIS HD1 H -12.428 2.056 -6.951 1.00 . A A . 84 HIS HD1 1 1 8 4556 1 1 40 HIS HD2 H -11.252 3.172 -3.111 1.00 . A A . 84 HIS HD2 1 1 8 4557 1 1 40 HIS HE1 H -10.319 3.432 -7.221 1.00 . A A . 84 HIS HE1 1 1 8 4558 1 1 40 HIS N N -12.021 -0.306 -4.623 1.00 . A A . 84 HIS N 1 1 8 4559 1 1 40 HIS ND1 N -11.934 2.450 -6.203 1.00 . A A . 84 HIS ND1 1 1 8 4560 1 1 40 HIS NE2 N -10.380 3.577 -5.089 1.00 . A A . 84 HIS NE2 1 1 8 4561 1 1 40 HIS O O -15.115 -0.697 -4.335 1.00 . A A . 84 HIS O 1 1 8 4562 1 1 41 LYS C C -16.690 -1.629 -2.372 1.00 . A A . 85 LYS C 1 1 8 4563 1 1 41 LYS CA C -15.351 -2.359 -2.230 1.00 . A A . 85 LYS CA 1 1 8 4564 1 1 41 LYS CB C -15.162 -2.859 -0.797 1.00 . A A . 85 LYS CB 1 1 8 4565 1 1 41 LYS CD C -13.356 -3.598 0.764 1.00 . A A . 85 LYS CD 1 1 8 4566 1 1 41 LYS CE C -13.759 -4.907 1.445 1.00 . A A . 85 LYS CE 1 1 8 4567 1 1 41 LYS CG C -13.834 -3.609 -0.690 1.00 . A A . 85 LYS CG 1 1 8 4568 1 1 41 LYS H H -13.486 -1.363 -1.816 1.00 . A A . 85 LYS H 1 1 8 4569 1 1 41 LYS HA H -15.297 -3.186 -2.919 1.00 . A A . 85 LYS HA 1 1 8 4570 1 1 41 LYS HB2 H -15.157 -2.015 -0.119 1.00 . A A . 85 LYS HB2 1 1 8 4571 1 1 41 LYS HB3 H -15.972 -3.526 -0.539 1.00 . A A . 85 LYS HB3 1 1 8 4572 1 1 41 LYS HD2 H -12.280 -3.494 0.788 1.00 . A A . 85 LYS HD2 1 1 8 4573 1 1 41 LYS HD3 H -13.811 -2.769 1.286 1.00 . A A . 85 LYS HD3 1 1 8 4574 1 1 41 LYS HE2 H -13.709 -5.726 0.740 1.00 . A A . 85 LYS HE2 1 1 8 4575 1 1 41 LYS HE3 H -13.124 -5.100 2.295 1.00 . A A . 85 LYS HE3 1 1 8 4576 1 1 41 LYS HG2 H -13.969 -4.630 -1.017 1.00 . A A . 85 LYS HG2 1 1 8 4577 1 1 41 LYS HG3 H -13.096 -3.126 -1.313 1.00 . A A . 85 LYS HG3 1 1 8 4578 1 1 41 LYS HZ1 H -15.627 -4.008 1.263 1.00 . A A . 85 LYS HZ1 1 1 8 4579 1 1 41 LYS HZ2 H -15.678 -5.595 1.867 1.00 . A A . 85 LYS HZ2 1 1 8 4580 1 1 41 LYS HZ3 H -15.163 -4.320 2.864 1.00 . A A . 85 LYS HZ3 1 1 8 4581 1 1 41 LYS N N -14.222 -1.413 -2.461 1.00 . A A . 85 LYS N 1 1 8 4582 1 1 41 LYS NZ N -15.163 -4.691 1.893 1.00 . A A . 85 LYS NZ 1 1 8 4583 1 1 41 LYS O O -17.008 -0.841 -1.497 1.00 . A A . 85 LYS O 1 1 8 4584 1 1 41 LYS OXT O -17.373 -1.872 -3.353 1.00 . A A . 85 LYS OXT 1 1 9 4585 1 1 1 SER C C 15.642 7.322 -0.802 1.00 . A A . 45 SER C 1 1 9 4586 1 1 1 SER CA C 17.115 6.975 -0.571 1.00 . A A . 45 SER CA 1 1 9 4587 1 1 1 SER CB C 17.244 5.795 0.390 1.00 . A A . 45 SER CB 1 1 9 4588 1 1 1 SER H1 H 17.586 8.996 -0.379 1.00 . A A . 45 SER H1 1 1 9 4589 1 1 1 SER H2 H 17.490 8.164 1.099 1.00 . A A . 45 SER H2 1 1 9 4590 1 1 1 SER H3 H 18.837 7.946 0.091 1.00 . A A . 45 SER H3 1 1 9 4591 1 1 1 SER HA H 17.601 6.744 -1.505 1.00 . A A . 45 SER HA 1 1 9 4592 1 1 1 SER HB2 H 16.702 4.949 0.000 1.00 . A A . 45 SER HB2 1 1 9 4593 1 1 1 SER HB3 H 18.288 5.532 0.499 1.00 . A A . 45 SER HB3 1 1 9 4594 1 1 1 SER HG H 15.899 6.661 1.497 1.00 . A A . 45 SER HG 1 1 9 4595 1 1 1 SER N N 17.810 8.106 0.112 1.00 . A A . 45 SER N 1 1 9 4596 1 1 1 SER O O 15.018 7.989 -0.001 1.00 . A A . 45 SER O 1 1 9 4597 1 1 1 SER OG O 16.700 6.156 1.654 1.00 . A A . 45 SER OG 1 1 9 4598 1 1 2 ASP C C 13.233 6.567 -3.515 1.00 . A A . 46 ASP C 1 1 9 4599 1 1 2 ASP CA C 13.650 7.178 -2.173 1.00 . A A . 46 ASP CA 1 1 9 4600 1 1 2 ASP CB C 13.573 8.703 -2.232 1.00 . A A . 46 ASP CB 1 1 9 4601 1 1 2 ASP CG C 14.650 9.234 -3.180 1.00 . A A . 46 ASP CG 1 1 9 4602 1 1 2 ASP H H 15.603 6.337 -2.525 1.00 . A A . 46 ASP H 1 1 9 4603 1 1 2 ASP HA H 13.022 6.807 -1.378 1.00 . A A . 46 ASP HA 1 1 9 4604 1 1 2 ASP HB2 H 12.598 9.001 -2.590 1.00 . A A . 46 ASP HB2 1 1 9 4605 1 1 2 ASP HB3 H 13.732 9.110 -1.245 1.00 . A A . 46 ASP HB3 1 1 9 4606 1 1 2 ASP N N 15.082 6.873 -1.892 1.00 . A A . 46 ASP N 1 1 9 4607 1 1 2 ASP O O 12.978 7.268 -4.474 1.00 . A A . 46 ASP O 1 1 9 4608 1 1 2 ASP OD1 O 14.935 8.560 -4.156 1.00 . A A . 46 ASP OD1 1 1 9 4609 1 1 2 ASP OD2 O 15.172 10.303 -2.912 1.00 . A A . 46 ASP OD2 1 1 9 4610 1 1 3 GLY C C 12.421 3.145 -4.609 1.00 . A A . 47 GLY C 1 1 9 4611 1 1 3 GLY CA C 12.763 4.614 -4.867 1.00 . A A . 47 GLY CA 1 1 9 4612 1 1 3 GLY H H 13.372 4.719 -2.803 1.00 . A A . 47 GLY H 1 1 9 4613 1 1 3 GLY HA2 H 11.898 5.120 -5.274 1.00 . A A . 47 GLY HA2 1 1 9 4614 1 1 3 GLY HA3 H 13.579 4.670 -5.571 1.00 . A A . 47 GLY HA3 1 1 9 4615 1 1 3 GLY N N 13.162 5.266 -3.588 1.00 . A A . 47 GLY N 1 1 9 4616 1 1 3 GLY O O 12.534 2.309 -5.482 1.00 . A A . 47 GLY O 1 1 9 4617 1 1 4 ASP C C 10.153 1.178 -3.305 1.00 . A A . 48 ASP C 1 1 9 4618 1 1 4 ASP CA C 11.655 1.409 -3.102 1.00 . A A . 48 ASP CA 1 1 9 4619 1 1 4 ASP CB C 12.042 1.221 -1.634 1.00 . A A . 48 ASP CB 1 1 9 4620 1 1 4 ASP CG C 13.545 0.957 -1.532 1.00 . A A . 48 ASP CG 1 1 9 4621 1 1 4 ASP H H 11.919 3.515 -2.722 1.00 . A A . 48 ASP H 1 1 9 4622 1 1 4 ASP HA H 12.225 0.736 -3.721 1.00 . A A . 48 ASP HA 1 1 9 4623 1 1 4 ASP HB2 H 11.794 2.114 -1.079 1.00 . A A . 48 ASP HB2 1 1 9 4624 1 1 4 ASP HB3 H 11.502 0.381 -1.223 1.00 . A A . 48 ASP HB3 1 1 9 4625 1 1 4 ASP N N 12.004 2.825 -3.414 1.00 . A A . 48 ASP N 1 1 9 4626 1 1 4 ASP O O 9.700 0.922 -4.403 1.00 . A A . 48 ASP O 1 1 9 4627 1 1 4 ASP OD1 O 13.952 -0.156 -1.820 1.00 . A A . 48 ASP OD1 1 1 9 4628 1 1 4 ASP OD2 O 14.263 1.873 -1.165 1.00 . A A . 48 ASP OD2 1 1 9 4629 1 1 5 GLN C C 7.137 2.069 -1.552 1.00 . A A . 49 GLN C 1 1 9 4630 1 1 5 GLN CA C 7.906 1.055 -2.403 1.00 . A A . 49 GLN CA 1 1 9 4631 1 1 5 GLN CB C 7.655 -0.362 -1.900 1.00 . A A . 49 GLN CB 1 1 9 4632 1 1 5 GLN CD C 9.825 -1.554 -1.543 1.00 . A A . 49 GLN CD 1 1 9 4633 1 1 5 GLN CG C 8.675 -1.318 -2.524 1.00 . A A . 49 GLN CG 1 1 9 4634 1 1 5 GLN H H 9.753 1.477 -1.381 1.00 . A A . 49 GLN H 1 1 9 4635 1 1 5 GLN HA H 7.614 1.132 -3.433 1.00 . A A . 49 GLN HA 1 1 9 4636 1 1 5 GLN HB2 H 7.753 -0.380 -0.828 1.00 . A A . 49 GLN HB2 1 1 9 4637 1 1 5 GLN HB3 H 6.658 -0.672 -2.178 1.00 . A A . 49 GLN HB3 1 1 9 4638 1 1 5 GLN HE21 H 8.622 -1.802 0.022 1.00 . A A . 49 GLN HE21 1 1 9 4639 1 1 5 GLN HE22 H 10.290 -1.936 0.352 1.00 . A A . 49 GLN HE22 1 1 9 4640 1 1 5 GLN HG2 H 8.194 -2.259 -2.749 1.00 . A A . 49 GLN HG2 1 1 9 4641 1 1 5 GLN HG3 H 9.065 -0.886 -3.433 1.00 . A A . 49 GLN HG3 1 1 9 4642 1 1 5 GLN N N 9.374 1.268 -2.259 1.00 . A A . 49 GLN N 1 1 9 4643 1 1 5 GLN NE2 N 9.557 -1.783 -0.285 1.00 . A A . 49 GLN NE2 1 1 9 4644 1 1 5 GLN O O 6.377 2.870 -2.058 1.00 . A A . 49 GLN O 1 1 9 4645 1 1 5 GLN OE1 O 10.978 -1.531 -1.923 1.00 . A A . 49 GLN OE1 1 1 9 4646 1 1 6 CYS C C 7.300 4.369 0.595 1.00 . A A . 50 CYS C 1 1 9 4647 1 1 6 CYS CA C 6.610 3.003 0.622 1.00 . A A . 50 CYS CA 1 1 9 4648 1 1 6 CYS CB C 6.687 2.391 2.021 1.00 . A A . 50 CYS CB 1 1 9 4649 1 1 6 CYS H H 7.947 1.386 0.128 1.00 . A A . 50 CYS H 1 1 9 4650 1 1 6 CYS HA H 5.579 3.095 0.317 1.00 . A A . 50 CYS HA 1 1 9 4651 1 1 6 CYS HB2 H 7.711 2.127 2.242 1.00 . A A . 50 CYS HB2 1 1 9 4652 1 1 6 CYS HB3 H 6.335 3.108 2.747 1.00 . A A . 50 CYS HB3 1 1 9 4653 1 1 6 CYS N N 7.329 2.040 -0.261 1.00 . A A . 50 CYS N 1 1 9 4654 1 1 6 CYS O O 6.953 5.265 1.339 1.00 . A A . 50 CYS O 1 1 9 4655 1 1 6 CYS SG S 5.654 0.906 2.090 1.00 . A A . 50 CYS SG 1 1 9 4656 1 1 7 ALA C C 8.129 6.870 -1.076 1.00 . A A . 51 ALA C 1 1 9 4657 1 1 7 ALA CA C 8.986 5.845 -0.328 1.00 . A A . 51 ALA CA 1 1 9 4658 1 1 7 ALA CB C 10.272 5.555 -1.102 1.00 . A A . 51 ALA CB 1 1 9 4659 1 1 7 ALA H H 8.541 3.802 -0.848 1.00 . A A . 51 ALA H 1 1 9 4660 1 1 7 ALA HA H 9.223 6.200 0.662 1.00 . A A . 51 ALA HA 1 1 9 4661 1 1 7 ALA HB1 H 10.260 4.533 -1.452 1.00 . A A . 51 ALA HB1 1 1 9 4662 1 1 7 ALA HB2 H 10.342 6.224 -1.947 1.00 . A A . 51 ALA HB2 1 1 9 4663 1 1 7 ALA HB3 H 11.123 5.703 -0.454 1.00 . A A . 51 ALA HB3 1 1 9 4664 1 1 7 ALA N N 8.276 4.536 -0.256 1.00 . A A . 51 ALA N 1 1 9 4665 1 1 7 ALA O O 8.534 7.996 -1.287 1.00 . A A . 51 ALA O 1 1 9 4666 1 1 8 SER C C 4.594 7.149 -1.906 1.00 . A A . 52 SER C 1 1 9 4667 1 1 8 SER CA C 6.066 7.444 -2.212 1.00 . A A . 52 SER CA 1 1 9 4668 1 1 8 SER CB C 6.364 7.202 -3.690 1.00 . A A . 52 SER CB 1 1 9 4669 1 1 8 SER H H 6.637 5.578 -1.299 1.00 . A A . 52 SER H 1 1 9 4670 1 1 8 SER HA H 6.309 8.461 -1.949 1.00 . A A . 52 SER HA 1 1 9 4671 1 1 8 SER HB2 H 5.836 7.924 -4.290 1.00 . A A . 52 SER HB2 1 1 9 4672 1 1 8 SER HB3 H 7.428 7.303 -3.863 1.00 . A A . 52 SER HB3 1 1 9 4673 1 1 8 SER HG H 5.908 5.842 -5.005 1.00 . A A . 52 SER HG 1 1 9 4674 1 1 8 SER N N 6.946 6.490 -1.478 1.00 . A A . 52 SER N 1 1 9 4675 1 1 8 SER O O 3.716 7.436 -2.696 1.00 . A A . 52 SER O 1 1 9 4676 1 1 8 SER OG O 5.936 5.894 -4.048 1.00 . A A . 52 SER OG 1 1 9 4677 1 1 9 SER C C 2.186 5.629 -1.602 1.00 . A A . 53 SER C 1 1 9 4678 1 1 9 SER CA C 2.904 6.267 -0.409 1.00 . A A . 53 SER CA 1 1 9 4679 1 1 9 SER CB C 2.275 7.617 -0.066 1.00 . A A . 53 SER CB 1 1 9 4680 1 1 9 SER H H 5.041 6.356 -0.141 1.00 . A A . 53 SER H 1 1 9 4681 1 1 9 SER HA H 2.866 5.614 0.448 1.00 . A A . 53 SER HA 1 1 9 4682 1 1 9 SER HB2 H 3.017 8.393 -0.151 1.00 . A A . 53 SER HB2 1 1 9 4683 1 1 9 SER HB3 H 1.464 7.820 -0.752 1.00 . A A . 53 SER HB3 1 1 9 4684 1 1 9 SER HG H 1.523 6.679 1.464 1.00 . A A . 53 SER HG 1 1 9 4685 1 1 9 SER N N 4.318 6.579 -0.765 1.00 . A A . 53 SER N 1 1 9 4686 1 1 9 SER O O 1.357 6.251 -2.234 1.00 . A A . 53 SER O 1 1 9 4687 1 1 9 SER OG O 1.787 7.581 1.269 1.00 . A A . 53 SER OG 1 1 9 4688 1 1 10 PRO C C 0.516 3.188 -2.619 1.00 . A A . 54 PRO C 1 1 9 4689 1 1 10 PRO CA C 1.922 3.659 -2.996 1.00 . A A . 54 PRO CA 1 1 9 4690 1 1 10 PRO CB C 2.852 2.465 -3.187 1.00 . A A . 54 PRO CB 1 1 9 4691 1 1 10 PRO CD C 3.528 3.592 -1.149 1.00 . A A . 54 PRO CD 1 1 9 4692 1 1 10 PRO CG C 3.505 2.259 -1.855 1.00 . A A . 54 PRO CG 1 1 9 4693 1 1 10 PRO HA H 1.902 4.263 -3.889 1.00 . A A . 54 PRO HA 1 1 9 4694 1 1 10 PRO HB2 H 2.281 1.588 -3.467 1.00 . A A . 54 PRO HB2 1 1 9 4695 1 1 10 PRO HB3 H 3.600 2.684 -3.934 1.00 . A A . 54 PRO HB3 1 1 9 4696 1 1 10 PRO HD2 H 3.243 3.475 -0.111 1.00 . A A . 54 PRO HD2 1 1 9 4697 1 1 10 PRO HD3 H 4.504 4.046 -1.227 1.00 . A A . 54 PRO HD3 1 1 9 4698 1 1 10 PRO HG2 H 2.938 1.544 -1.276 1.00 . A A . 54 PRO HG2 1 1 9 4699 1 1 10 PRO HG3 H 4.514 1.904 -1.991 1.00 . A A . 54 PRO HG3 1 1 9 4700 1 1 10 PRO N N 2.537 4.400 -1.868 1.00 . A A . 54 PRO N 1 1 9 4701 1 1 10 PRO O O -0.186 2.596 -3.414 1.00 . A A . 54 PRO O 1 1 9 4702 1 1 11 CYS C C -2.251 4.146 -1.103 1.00 . A A . 55 CYS C 1 1 9 4703 1 1 11 CYS CA C -1.252 2.993 -0.972 1.00 . A A . 55 CYS CA 1 1 9 4704 1 1 11 CYS CB C -1.102 2.580 0.500 1.00 . A A . 55 CYS CB 1 1 9 4705 1 1 11 CYS H H 0.690 3.910 -0.778 1.00 . A A . 55 CYS H 1 1 9 4706 1 1 11 CYS HA H -1.575 2.149 -1.559 1.00 . A A . 55 CYS HA 1 1 9 4707 1 1 11 CYS HB2 H -1.188 3.455 1.127 1.00 . A A . 55 CYS HB2 1 1 9 4708 1 1 11 CYS HB3 H -1.885 1.879 0.755 1.00 . A A . 55 CYS HB3 1 1 9 4709 1 1 11 CYS N N 0.105 3.439 -1.407 1.00 . A A . 55 CYS N 1 1 9 4710 1 1 11 CYS O O -1.880 5.275 -1.357 1.00 . A A . 55 CYS O 1 1 9 4711 1 1 11 CYS SG S 0.515 1.802 0.781 1.00 . A A . 55 CYS SG 1 1 9 4712 1 1 12 GLN C C -5.667 4.731 -0.048 1.00 . A A . 56 GLN C 1 1 9 4713 1 1 12 GLN CA C -4.536 4.950 -1.053 1.00 . A A . 56 GLN CA 1 1 9 4714 1 1 12 GLN CB C -5.067 4.838 -2.481 1.00 . A A . 56 GLN CB 1 1 9 4715 1 1 12 GLN CD C -4.424 4.874 -4.893 1.00 . A A . 56 GLN CD 1 1 9 4716 1 1 12 GLN CG C -3.926 5.090 -3.464 1.00 . A A . 56 GLN CG 1 1 9 4717 1 1 12 GLN H H -3.794 2.958 -0.733 1.00 . A A . 56 GLN H 1 1 9 4718 1 1 12 GLN HA H -4.081 5.915 -0.905 1.00 . A A . 56 GLN HA 1 1 9 4719 1 1 12 GLN HB2 H -5.468 3.847 -2.640 1.00 . A A . 56 GLN HB2 1 1 9 4720 1 1 12 GLN HB3 H -5.844 5.570 -2.637 1.00 . A A . 56 GLN HB3 1 1 9 4721 1 1 12 GLN HE21 H -5.410 3.207 -4.446 1.00 . A A . 56 GLN HE21 1 1 9 4722 1 1 12 GLN HE22 H -5.496 3.692 -6.079 1.00 . A A . 56 GLN HE22 1 1 9 4723 1 1 12 GLN HG2 H -3.576 6.105 -3.351 1.00 . A A . 56 GLN HG2 1 1 9 4724 1 1 12 GLN HG3 H -3.119 4.404 -3.257 1.00 . A A . 56 GLN HG3 1 1 9 4725 1 1 12 GLN N N -3.516 3.871 -0.935 1.00 . A A . 56 GLN N 1 1 9 4726 1 1 12 GLN NE2 N -5.172 3.839 -5.162 1.00 . A A . 56 GLN NE2 1 1 9 4727 1 1 12 GLN O O -5.628 3.830 0.764 1.00 . A A . 56 GLN O 1 1 9 4728 1 1 12 GLN OE1 O -4.129 5.655 -5.777 1.00 . A A . 56 GLN OE1 1 1 9 4729 1 1 13 ASN C C -7.316 5.175 2.264 1.00 . A A . 57 ASN C 1 1 9 4730 1 1 13 ASN CA C -7.824 5.399 0.837 1.00 . A A . 57 ASN CA 1 1 9 4731 1 1 13 ASN CB C -8.586 4.172 0.336 1.00 . A A . 57 ASN CB 1 1 9 4732 1 1 13 ASN CG C -8.824 4.305 -1.170 1.00 . A A . 57 ASN CG 1 1 9 4733 1 1 13 ASN H H -6.687 6.269 -0.776 1.00 . A A . 57 ASN H 1 1 9 4734 1 1 13 ASN HA H -8.461 6.269 0.798 1.00 . A A . 57 ASN HA 1 1 9 4735 1 1 13 ASN HB2 H -8.006 3.283 0.533 1.00 . A A . 57 ASN HB2 1 1 9 4736 1 1 13 ASN HB3 H -9.535 4.105 0.844 1.00 . A A . 57 ASN HB3 1 1 9 4737 1 1 13 ASN HD21 H -8.455 2.388 -1.538 1.00 . A A . 57 ASN HD21 1 1 9 4738 1 1 13 ASN HD22 H -8.846 3.333 -2.902 1.00 . A A . 57 ASN HD22 1 1 9 4739 1 1 13 ASN N N -6.679 5.551 -0.107 1.00 . A A . 57 ASN N 1 1 9 4740 1 1 13 ASN ND2 N -8.699 3.255 -1.933 1.00 . A A . 57 ASN ND2 1 1 9 4741 1 1 13 ASN O O -7.606 4.173 2.887 1.00 . A A . 57 ASN O 1 1 9 4742 1 1 13 ASN OD1 O -9.127 5.377 -1.656 1.00 . A A . 57 ASN OD1 1 1 9 4743 1 1 14 GLY C C -5.490 4.538 4.373 1.00 . A A . 58 GLY C 1 1 9 4744 1 1 14 GLY CA C -6.039 5.952 4.173 1.00 . A A . 58 GLY CA 1 1 9 4745 1 1 14 GLY H H -6.345 6.906 2.266 1.00 . A A . 58 GLY H 1 1 9 4746 1 1 14 GLY HA2 H -5.250 6.671 4.339 1.00 . A A . 58 GLY HA2 1 1 9 4747 1 1 14 GLY HA3 H -6.837 6.127 4.879 1.00 . A A . 58 GLY HA3 1 1 9 4748 1 1 14 GLY N N -6.563 6.104 2.786 1.00 . A A . 58 GLY N 1 1 9 4749 1 1 14 GLY O O -5.648 3.947 5.422 1.00 . A A . 58 GLY O 1 1 9 4750 1 1 15 GLY C C -2.814 2.716 3.948 1.00 . A A . 59 GLY C 1 1 9 4751 1 1 15 GLY CA C -4.282 2.619 3.529 1.00 . A A . 59 GLY CA 1 1 9 4752 1 1 15 GLY H H -4.719 4.485 2.543 1.00 . A A . 59 GLY H 1 1 9 4753 1 1 15 GLY HA2 H -4.840 2.082 4.285 1.00 . A A . 59 GLY HA2 1 1 9 4754 1 1 15 GLY HA3 H -4.352 2.095 2.586 1.00 . A A . 59 GLY HA3 1 1 9 4755 1 1 15 GLY N N -4.842 3.992 3.381 1.00 . A A . 59 GLY N 1 1 9 4756 1 1 15 GLY O O -2.086 3.577 3.496 1.00 . A A . 59 GLY O 1 1 9 4757 1 1 16 SER C C -0.046 1.247 4.200 1.00 . A A . 60 SER C 1 1 9 4758 1 1 16 SER CA C -0.948 1.890 5.255 1.00 . A A . 60 SER CA 1 1 9 4759 1 1 16 SER CB C -0.912 1.085 6.553 1.00 . A A . 60 SER CB 1 1 9 4760 1 1 16 SER H H -2.972 1.153 5.164 1.00 . A A . 60 SER H 1 1 9 4761 1 1 16 SER HA H -0.646 2.907 5.443 1.00 . A A . 60 SER HA 1 1 9 4762 1 1 16 SER HB2 H -1.412 0.141 6.409 1.00 . A A . 60 SER HB2 1 1 9 4763 1 1 16 SER HB3 H 0.118 0.905 6.835 1.00 . A A . 60 SER HB3 1 1 9 4764 1 1 16 SER HG H -2.269 2.336 7.166 1.00 . A A . 60 SER HG 1 1 9 4765 1 1 16 SER N N -2.371 1.841 4.810 1.00 . A A . 60 SER N 1 1 9 4766 1 1 16 SER O O -0.509 0.557 3.315 1.00 . A A . 60 SER O 1 1 9 4767 1 1 16 SER OG O -1.577 1.814 7.577 1.00 . A A . 60 SER OG 1 1 9 4768 1 1 17 CYS C C 3.146 -0.088 3.956 1.00 . A A . 61 CYS C 1 1 9 4769 1 1 17 CYS CA C 2.164 0.871 3.277 1.00 . A A . 61 CYS CA 1 1 9 4770 1 1 17 CYS CB C 2.916 2.056 2.668 1.00 . A A . 61 CYS CB 1 1 9 4771 1 1 17 CYS H H 1.593 2.032 5.004 1.00 . A A . 61 CYS H 1 1 9 4772 1 1 17 CYS HA H 1.606 0.356 2.512 1.00 . A A . 61 CYS HA 1 1 9 4773 1 1 17 CYS HB2 H 2.209 2.799 2.330 1.00 . A A . 61 CYS HB2 1 1 9 4774 1 1 17 CYS HB3 H 3.567 2.490 3.411 1.00 . A A . 61 CYS HB3 1 1 9 4775 1 1 17 CYS N N 1.238 1.470 4.283 1.00 . A A . 61 CYS N 1 1 9 4776 1 1 17 CYS O O 4.034 0.322 4.676 1.00 . A A . 61 CYS O 1 1 9 4777 1 1 17 CYS SG S 3.903 1.481 1.263 1.00 . A A . 61 CYS SG 1 1 9 4778 1 1 18 LYS C C 5.228 -2.423 3.541 1.00 . A A . 62 LYS C 1 1 9 4779 1 1 18 LYS CA C 3.930 -2.349 4.349 1.00 . A A . 62 LYS CA 1 1 9 4780 1 1 18 LYS CB C 3.199 -3.691 4.301 1.00 . A A . 62 LYS CB 1 1 9 4781 1 1 18 LYS CD C 4.063 -4.578 6.468 1.00 . A A . 62 LYS CD 1 1 9 4782 1 1 18 LYS CE C 2.661 -4.853 7.018 1.00 . A A . 62 LYS CE 1 1 9 4783 1 1 18 LYS CG C 4.064 -4.770 4.953 1.00 . A A . 62 LYS CG 1 1 9 4784 1 1 18 LYS H H 2.277 -1.672 3.133 1.00 . A A . 62 LYS H 1 1 9 4785 1 1 18 LYS HA H 4.137 -2.076 5.372 1.00 . A A . 62 LYS HA 1 1 9 4786 1 1 18 LYS HB2 H 2.261 -3.610 4.830 1.00 . A A . 62 LYS HB2 1 1 9 4787 1 1 18 LYS HB3 H 3.012 -3.962 3.276 1.00 . A A . 62 LYS HB3 1 1 9 4788 1 1 18 LYS HD2 H 4.767 -5.263 6.916 1.00 . A A . 62 LYS HD2 1 1 9 4789 1 1 18 LYS HD3 H 4.345 -3.563 6.701 1.00 . A A . 62 LYS HD3 1 1 9 4790 1 1 18 LYS HE2 H 1.950 -4.155 6.597 1.00 . A A . 62 LYS HE2 1 1 9 4791 1 1 18 LYS HE3 H 2.365 -5.868 6.806 1.00 . A A . 62 LYS HE3 1 1 9 4792 1 1 18 LYS HG2 H 3.664 -5.745 4.712 1.00 . A A . 62 LYS HG2 1 1 9 4793 1 1 18 LYS HG3 H 5.076 -4.694 4.583 1.00 . A A . 62 LYS HG3 1 1 9 4794 1 1 18 LYS HZ1 H 3.419 -3.855 8.680 1.00 . A A . 62 LYS HZ1 1 1 9 4795 1 1 18 LYS HZ2 H 1.842 -4.446 8.889 1.00 . A A . 62 LYS HZ2 1 1 9 4796 1 1 18 LYS HZ3 H 3.161 -5.516 8.926 1.00 . A A . 62 LYS HZ3 1 1 9 4797 1 1 18 LYS N N 2.997 -1.364 3.723 1.00 . A A . 62 LYS N 1 1 9 4798 1 1 18 LYS NZ N 2.780 -4.652 8.489 1.00 . A A . 62 LYS NZ 1 1 9 4799 1 1 18 LYS O O 5.229 -2.261 2.337 1.00 . A A . 62 LYS O 1 1 9 4800 1 1 19 ASP C C 8.316 -4.083 3.750 1.00 . A A . 63 ASP C 1 1 9 4801 1 1 19 ASP CA C 7.623 -2.752 3.453 1.00 . A A . 63 ASP CA 1 1 9 4802 1 1 19 ASP CB C 8.457 -1.583 3.981 1.00 . A A . 63 ASP CB 1 1 9 4803 1 1 19 ASP CG C 9.818 -1.570 3.281 1.00 . A A . 63 ASP CG 1 1 9 4804 1 1 19 ASP H H 6.311 -2.796 5.162 1.00 . A A . 63 ASP H 1 1 9 4805 1 1 19 ASP HA H 7.460 -2.639 2.393 1.00 . A A . 63 ASP HA 1 1 9 4806 1 1 19 ASP HB2 H 7.941 -0.655 3.783 1.00 . A A . 63 ASP HB2 1 1 9 4807 1 1 19 ASP HB3 H 8.603 -1.696 5.044 1.00 . A A . 63 ASP HB3 1 1 9 4808 1 1 19 ASP N N 6.331 -2.667 4.191 1.00 . A A . 63 ASP N 1 1 9 4809 1 1 19 ASP O O 8.812 -4.307 4.838 1.00 . A A . 63 ASP O 1 1 9 4810 1 1 19 ASP OD1 O 10.097 -2.508 2.553 1.00 . A A . 63 ASP OD1 1 1 9 4811 1 1 19 ASP OD2 O 10.558 -0.621 3.484 1.00 . A A . 63 ASP OD2 1 1 9 4812 1 1 20 GLN C C 10.263 -6.424 2.130 1.00 . A A . 64 GLN C 1 1 9 4813 1 1 20 GLN CA C 9.030 -6.286 3.031 1.00 . A A . 64 GLN CA 1 1 9 4814 1 1 20 GLN CB C 7.989 -7.374 2.712 1.00 . A A . 64 GLN CB 1 1 9 4815 1 1 20 GLN CD C 6.320 -8.075 0.990 1.00 . A A . 64 GLN CD 1 1 9 4816 1 1 20 GLN CG C 6.979 -6.877 1.673 1.00 . A A . 64 GLN CG 1 1 9 4817 1 1 20 GLN H H 7.958 -4.768 1.919 1.00 . A A . 64 GLN H 1 1 9 4818 1 1 20 GLN HA H 9.326 -6.361 4.066 1.00 . A A . 64 GLN HA 1 1 9 4819 1 1 20 GLN HB2 H 8.496 -8.246 2.326 1.00 . A A . 64 GLN HB2 1 1 9 4820 1 1 20 GLN HB3 H 7.466 -7.640 3.618 1.00 . A A . 64 GLN HB3 1 1 9 4821 1 1 20 GLN HE21 H 5.499 -6.978 -0.451 1.00 . A A . 64 GLN HE21 1 1 9 4822 1 1 20 GLN HE22 H 5.181 -8.653 -0.535 1.00 . A A . 64 GLN HE22 1 1 9 4823 1 1 20 GLN HG2 H 6.223 -6.278 2.163 1.00 . A A . 64 GLN HG2 1 1 9 4824 1 1 20 GLN HG3 H 7.488 -6.280 0.935 1.00 . A A . 64 GLN HG3 1 1 9 4825 1 1 20 GLN N N 8.360 -4.969 2.793 1.00 . A A . 64 GLN N 1 1 9 4826 1 1 20 GLN NE2 N 5.608 -7.887 -0.088 1.00 . A A . 64 GLN NE2 1 1 9 4827 1 1 20 GLN O O 10.553 -5.563 1.323 1.00 . A A . 64 GLN O 1 1 9 4828 1 1 20 GLN OE1 O 6.453 -9.196 1.440 1.00 . A A . 64 GLN OE1 1 1 9 4829 1 1 21 LEU C C 11.864 -8.113 0.019 1.00 . A A . 65 LEU C 1 1 9 4830 1 1 21 LEU CA C 12.225 -7.680 1.440 1.00 . A A . 65 LEU CA 1 1 9 4831 1 1 21 LEU CB C 13.023 -8.775 2.147 1.00 . A A . 65 LEU CB 1 1 9 4832 1 1 21 LEU CD1 C 15.013 -8.127 0.783 1.00 . A A . 65 LEU CD1 1 1 9 4833 1 1 21 LEU CD2 C 14.652 -7.101 3.032 1.00 . A A . 65 LEU CD2 1 1 9 4834 1 1 21 LEU CG C 14.499 -8.378 2.201 1.00 . A A . 65 LEU CG 1 1 9 4835 1 1 21 LEU H H 10.753 -8.170 2.939 1.00 . A A . 65 LEU H 1 1 9 4836 1 1 21 LEU HA H 12.794 -6.772 1.414 1.00 . A A . 65 LEU HA 1 1 9 4837 1 1 21 LEU HB2 H 12.647 -8.902 3.152 1.00 . A A . 65 LEU HB2 1 1 9 4838 1 1 21 LEU HB3 H 12.922 -9.703 1.604 1.00 . A A . 65 LEU HB3 1 1 9 4839 1 1 21 LEU HD11 H 14.826 -8.998 0.173 1.00 . A A . 65 LEU HD11 1 1 9 4840 1 1 21 LEU HD12 H 14.501 -7.275 0.360 1.00 . A A . 65 LEU HD12 1 1 9 4841 1 1 21 LEU HD13 H 16.074 -7.930 0.814 1.00 . A A . 65 LEU HD13 1 1 9 4842 1 1 21 LEU HD21 H 13.812 -7.005 3.703 1.00 . A A . 65 LEU HD21 1 1 9 4843 1 1 21 LEU HD22 H 15.566 -7.152 3.604 1.00 . A A . 65 LEU HD22 1 1 9 4844 1 1 21 LEU HD23 H 14.686 -6.245 2.373 1.00 . A A . 65 LEU HD23 1 1 9 4845 1 1 21 LEU HG H 15.070 -9.175 2.655 1.00 . A A . 65 LEU HG 1 1 9 4846 1 1 21 LEU N N 10.998 -7.495 2.273 1.00 . A A . 65 LEU N 1 1 9 4847 1 1 21 LEU O O 12.643 -7.972 -0.902 1.00 . A A . 65 LEU O 1 1 9 4848 1 1 22 GLN C C 9.610 -7.911 -2.266 1.00 . A A . 66 GLN C 1 1 9 4849 1 1 22 GLN CA C 10.277 -9.074 -1.531 1.00 . A A . 66 GLN CA 1 1 9 4850 1 1 22 GLN CB C 9.278 -10.208 -1.299 1.00 . A A . 66 GLN CB 1 1 9 4851 1 1 22 GLN CD C 6.959 -10.754 -0.546 1.00 . A A . 66 GLN CD 1 1 9 4852 1 1 22 GLN CG C 8.011 -9.649 -0.649 1.00 . A A . 66 GLN CG 1 1 9 4853 1 1 22 GLN H H 10.080 -8.734 0.592 1.00 . A A . 66 GLN H 1 1 9 4854 1 1 22 GLN HA H 11.127 -9.436 -2.086 1.00 . A A . 66 GLN HA 1 1 9 4855 1 1 22 GLN HB2 H 9.027 -10.665 -2.245 1.00 . A A . 66 GLN HB2 1 1 9 4856 1 1 22 GLN HB3 H 9.718 -10.948 -0.646 1.00 . A A . 66 GLN HB3 1 1 9 4857 1 1 22 GLN HE21 H 7.521 -11.314 1.274 1.00 . A A . 66 GLN HE21 1 1 9 4858 1 1 22 GLN HE22 H 6.226 -12.191 0.612 1.00 . A A . 66 GLN HE22 1 1 9 4859 1 1 22 GLN HG2 H 8.246 -9.280 0.339 1.00 . A A . 66 GLN HG2 1 1 9 4860 1 1 22 GLN HG3 H 7.623 -8.841 -1.251 1.00 . A A . 66 GLN HG3 1 1 9 4861 1 1 22 GLN N N 10.691 -8.635 -0.165 1.00 . A A . 66 GLN N 1 1 9 4862 1 1 22 GLN NE2 N 6.896 -11.480 0.537 1.00 . A A . 66 GLN NE2 1 1 9 4863 1 1 22 GLN O O 9.727 -7.769 -3.467 1.00 . A A . 66 GLN O 1 1 9 4864 1 1 22 GLN OE1 O 6.185 -10.960 -1.459 1.00 . A A . 66 GLN OE1 1 1 9 4865 1 1 23 SER C C 7.499 -5.121 -1.085 1.00 . A A . 67 SER C 1 1 9 4866 1 1 23 SER CA C 8.233 -5.913 -2.172 1.00 . A A . 67 SER CA 1 1 9 4867 1 1 23 SER CB C 7.254 -6.520 -3.177 1.00 . A A . 67 SER CB 1 1 9 4868 1 1 23 SER H H 8.844 -7.218 -0.576 1.00 . A A . 67 SER H 1 1 9 4869 1 1 23 SER HA H 8.948 -5.285 -2.681 1.00 . A A . 67 SER HA 1 1 9 4870 1 1 23 SER HB2 H 7.794 -7.096 -3.910 1.00 . A A . 67 SER HB2 1 1 9 4871 1 1 23 SER HB3 H 6.559 -7.166 -2.656 1.00 . A A . 67 SER HB3 1 1 9 4872 1 1 23 SER HG H 6.602 -5.629 -4.780 1.00 . A A . 67 SER HG 1 1 9 4873 1 1 23 SER N N 8.916 -7.078 -1.544 1.00 . A A . 67 SER N 1 1 9 4874 1 1 23 SER O O 8.110 -4.620 -0.162 1.00 . A A . 67 SER O 1 1 9 4875 1 1 23 SER OG O 6.547 -5.475 -3.834 1.00 . A A . 67 SER OG 1 1 9 4876 1 1 24 TYR C C 3.972 -4.642 -0.147 1.00 . A A . 68 TYR C 1 1 9 4877 1 1 24 TYR CA C 5.456 -4.266 -0.111 1.00 . A A . 68 TYR CA 1 1 9 4878 1 1 24 TYR CB C 5.666 -2.787 -0.433 1.00 . A A . 68 TYR CB 1 1 9 4879 1 1 24 TYR CD1 C 5.981 -3.007 -2.926 1.00 . A A . 68 TYR CD1 1 1 9 4880 1 1 24 TYR CD2 C 4.097 -1.727 -2.094 1.00 . A A . 68 TYR CD2 1 1 9 4881 1 1 24 TYR CE1 C 5.583 -2.736 -4.241 1.00 . A A . 68 TYR CE1 1 1 9 4882 1 1 24 TYR CE2 C 3.699 -1.457 -3.409 1.00 . A A . 68 TYR CE2 1 1 9 4883 1 1 24 TYR CG C 5.237 -2.502 -1.853 1.00 . A A . 68 TYR CG 1 1 9 4884 1 1 24 TYR CZ C 4.442 -1.962 -4.483 1.00 . A A . 68 TYR CZ 1 1 9 4885 1 1 24 TYR H H 5.711 -5.425 -1.905 1.00 . A A . 68 TYR H 1 1 9 4886 1 1 24 TYR HA H 5.870 -4.489 0.860 1.00 . A A . 68 TYR HA 1 1 9 4887 1 1 24 TYR HB2 H 5.080 -2.185 0.247 1.00 . A A . 68 TYR HB2 1 1 9 4888 1 1 24 TYR HB3 H 6.715 -2.548 -0.316 1.00 . A A . 68 TYR HB3 1 1 9 4889 1 1 24 TYR HD1 H 6.862 -3.603 -2.741 1.00 . A A . 68 TYR HD1 1 1 9 4890 1 1 24 TYR HD2 H 3.523 -1.338 -1.266 1.00 . A A . 68 TYR HD2 1 1 9 4891 1 1 24 TYR HE1 H 6.156 -3.126 -5.070 1.00 . A A . 68 TYR HE1 1 1 9 4892 1 1 24 TYR HE2 H 2.819 -0.858 -3.595 1.00 . A A . 68 TYR HE2 1 1 9 4893 1 1 24 TYR HH H 4.447 -0.862 -6.043 1.00 . A A . 68 TYR HH 1 1 9 4894 1 1 24 TYR N N 6.199 -5.010 -1.165 1.00 . A A . 68 TYR N 1 1 9 4895 1 1 24 TYR O O 3.508 -5.287 -1.066 1.00 . A A . 68 TYR O 1 1 9 4896 1 1 24 TYR OH O 4.050 -1.696 -5.778 1.00 . A A . 68 TYR OH 1 1 9 4897 1 1 25 ILE C C 0.996 -3.518 1.631 1.00 . A A . 69 ILE C 1 1 9 4898 1 1 25 ILE CA C 1.776 -4.593 0.879 1.00 . A A . 69 ILE CA 1 1 9 4899 1 1 25 ILE CB C 1.705 -5.937 1.608 1.00 . A A . 69 ILE CB 1 1 9 4900 1 1 25 ILE CD1 C 3.155 -7.856 0.965 1.00 . A A . 69 ILE CD1 1 1 9 4901 1 1 25 ILE CG1 C 1.908 -7.054 0.593 1.00 . A A . 69 ILE CG1 1 1 9 4902 1 1 25 ILE CG2 C 0.340 -6.112 2.280 1.00 . A A . 69 ILE CG2 1 1 9 4903 1 1 25 ILE H H 3.626 -3.734 1.580 1.00 . A A . 69 ILE H 1 1 9 4904 1 1 25 ILE HA H 1.395 -4.700 -0.124 1.00 . A A . 69 ILE HA 1 1 9 4905 1 1 25 ILE HB H 2.483 -5.984 2.356 1.00 . A A . 69 ILE HB 1 1 9 4906 1 1 25 ILE HD11 H 3.964 -7.178 1.198 1.00 . A A . 69 ILE HD11 1 1 9 4907 1 1 25 ILE HD12 H 2.943 -8.470 1.828 1.00 . A A . 69 ILE HD12 1 1 9 4908 1 1 25 ILE HD13 H 3.441 -8.487 0.136 1.00 . A A . 69 ILE HD13 1 1 9 4909 1 1 25 ILE HG12 H 1.044 -7.701 0.593 1.00 . A A . 69 ILE HG12 1 1 9 4910 1 1 25 ILE HG13 H 2.036 -6.621 -0.389 1.00 . A A . 69 ILE HG13 1 1 9 4911 1 1 25 ILE HG21 H 0.174 -5.301 2.974 1.00 . A A . 69 ILE HG21 1 1 9 4912 1 1 25 ILE HG22 H -0.435 -6.107 1.528 1.00 . A A . 69 ILE HG22 1 1 9 4913 1 1 25 ILE HG23 H 0.319 -7.051 2.813 1.00 . A A . 69 ILE HG23 1 1 9 4914 1 1 25 ILE N N 3.229 -4.250 0.850 1.00 . A A . 69 ILE N 1 1 9 4915 1 1 25 ILE O O 1.116 -3.364 2.828 1.00 . A A . 69 ILE O 1 1 9 4916 1 1 26 CYS C C -1.805 -2.311 2.340 1.00 . A A . 70 CYS C 1 1 9 4917 1 1 26 CYS CA C -0.593 -1.714 1.627 1.00 . A A . 70 CYS CA 1 1 9 4918 1 1 26 CYS CB C -1.040 -0.765 0.524 1.00 . A A . 70 CYS CB 1 1 9 4919 1 1 26 CYS H H 0.094 -2.917 -0.025 1.00 . A A . 70 CYS H 1 1 9 4920 1 1 26 CYS HA H 0.032 -1.189 2.326 1.00 . A A . 70 CYS HA 1 1 9 4921 1 1 26 CYS HB2 H -1.565 -1.319 -0.236 1.00 . A A . 70 CYS HB2 1 1 9 4922 1 1 26 CYS HB3 H -1.692 -0.018 0.944 1.00 . A A . 70 CYS HB3 1 1 9 4923 1 1 26 CYS N N 0.188 -2.776 0.941 1.00 . A A . 70 CYS N 1 1 9 4924 1 1 26 CYS O O -2.617 -2.992 1.746 1.00 . A A . 70 CYS O 1 1 9 4925 1 1 26 CYS SG S 0.404 0.043 -0.205 1.00 . A A . 70 CYS SG 1 1 9 4926 1 1 27 PHE C C -4.241 -1.582 4.360 1.00 . A A . 71 PHE C 1 1 9 4927 1 1 27 PHE CA C -3.096 -2.599 4.370 1.00 . A A . 71 PHE CA 1 1 9 4928 1 1 27 PHE CB C -2.578 -2.816 5.791 1.00 . A A . 71 PHE CB 1 1 9 4929 1 1 27 PHE CD1 C -0.457 -4.086 5.292 1.00 . A A . 71 PHE CD1 1 1 9 4930 1 1 27 PHE CD2 C -2.267 -5.236 6.424 1.00 . A A . 71 PHE CD2 1 1 9 4931 1 1 27 PHE CE1 C 0.313 -5.255 5.334 1.00 . A A . 71 PHE CE1 1 1 9 4932 1 1 27 PHE CE2 C -1.497 -6.406 6.466 1.00 . A A . 71 PHE CE2 1 1 9 4933 1 1 27 PHE CG C -1.747 -4.076 5.837 1.00 . A A . 71 PHE CG 1 1 9 4934 1 1 27 PHE CZ C -0.207 -6.414 5.921 1.00 . A A . 71 PHE CZ 1 1 9 4935 1 1 27 PHE H H -1.269 -1.499 4.069 1.00 . A A . 71 PHE H 1 1 9 4936 1 1 27 PHE HA H -3.419 -3.536 3.946 1.00 . A A . 71 PHE HA 1 1 9 4937 1 1 27 PHE HB2 H -1.968 -1.972 6.086 1.00 . A A . 71 PHE HB2 1 1 9 4938 1 1 27 PHE HB3 H -3.415 -2.912 6.469 1.00 . A A . 71 PHE HB3 1 1 9 4939 1 1 27 PHE HD1 H -0.056 -3.191 4.839 1.00 . A A . 71 PHE HD1 1 1 9 4940 1 1 27 PHE HD2 H -3.262 -5.230 6.844 1.00 . A A . 71 PHE HD2 1 1 9 4941 1 1 27 PHE HE1 H 1.308 -5.263 4.914 1.00 . A A . 71 PHE HE1 1 1 9 4942 1 1 27 PHE HE2 H -1.899 -7.300 6.918 1.00 . A A . 71 PHE HE2 1 1 9 4943 1 1 27 PHE HZ H 0.386 -7.316 5.953 1.00 . A A . 71 PHE HZ 1 1 9 4944 1 1 27 PHE N N -1.934 -2.055 3.613 1.00 . A A . 71 PHE N 1 1 9 4945 1 1 27 PHE O O -4.358 -0.755 5.241 1.00 . A A . 71 PHE O 1 1 9 4946 1 1 28 CYS C C -7.249 -0.991 4.369 1.00 . A A . 72 CYS C 1 1 9 4947 1 1 28 CYS CA C -6.214 -0.670 3.288 1.00 . A A . 72 CYS CA 1 1 9 4948 1 1 28 CYS CB C -6.819 -0.864 1.895 1.00 . A A . 72 CYS CB 1 1 9 4949 1 1 28 CYS H H -4.964 -2.311 2.663 1.00 . A A . 72 CYS H 1 1 9 4950 1 1 28 CYS HA H -5.855 0.341 3.398 1.00 . A A . 72 CYS HA 1 1 9 4951 1 1 28 CYS HB2 H -7.382 -1.784 1.874 1.00 . A A . 72 CYS HB2 1 1 9 4952 1 1 28 CYS HB3 H -7.477 -0.034 1.671 1.00 . A A . 72 CYS HB3 1 1 9 4953 1 1 28 CYS N N -5.080 -1.636 3.363 1.00 . A A . 72 CYS N 1 1 9 4954 1 1 28 CYS O O -6.984 -1.729 5.297 1.00 . A A . 72 CYS O 1 1 9 4955 1 1 28 CYS SG S -5.502 -0.937 0.653 1.00 . A A . 72 CYS SG 1 1 9 4956 1 1 29 LEU C C -10.580 -1.589 4.656 1.00 . A A . 73 LEU C 1 1 9 4957 1 1 29 LEU CA C -9.480 -0.723 5.272 1.00 . A A . 73 LEU CA 1 1 9 4958 1 1 29 LEU CB C -10.034 0.651 5.665 1.00 . A A . 73 LEU CB 1 1 9 4959 1 1 29 LEU CD1 C -8.989 2.704 4.686 1.00 . A A . 73 LEU CD1 1 1 9 4960 1 1 29 LEU CD2 C -8.969 2.352 7.160 1.00 . A A . 73 LEU CD2 1 1 9 4961 1 1 29 LEU CG C -8.885 1.656 5.798 1.00 . A A . 73 LEU CG 1 1 9 4962 1 1 29 LEU H H -8.625 0.146 3.496 1.00 . A A . 73 LEU H 1 1 9 4963 1 1 29 LEU HA H -9.052 -1.209 6.134 1.00 . A A . 73 LEU HA 1 1 9 4964 1 1 29 LEU HB2 H -10.724 0.989 4.906 1.00 . A A . 73 LEU HB2 1 1 9 4965 1 1 29 LEU HB3 H -10.550 0.572 6.610 1.00 . A A . 73 LEU HB3 1 1 9 4966 1 1 29 LEU HD11 H -8.959 2.214 3.724 1.00 . A A . 73 LEU HD11 1 1 9 4967 1 1 29 LEU HD12 H -9.919 3.244 4.786 1.00 . A A . 73 LEU HD12 1 1 9 4968 1 1 29 LEU HD13 H -8.162 3.395 4.764 1.00 . A A . 73 LEU HD13 1 1 9 4969 1 1 29 LEU HD21 H -9.931 2.833 7.260 1.00 . A A . 73 LEU HD21 1 1 9 4970 1 1 29 LEU HD22 H -8.848 1.621 7.947 1.00 . A A . 73 LEU HD22 1 1 9 4971 1 1 29 LEU HD23 H -8.187 3.094 7.234 1.00 . A A . 73 LEU HD23 1 1 9 4972 1 1 29 LEU HG H -7.940 1.135 5.714 1.00 . A A . 73 LEU HG 1 1 9 4973 1 1 29 LEU N N -8.428 -0.445 4.254 1.00 . A A . 73 LEU N 1 1 9 4974 1 1 29 LEU O O -10.494 -1.976 3.508 1.00 . A A . 73 LEU O 1 1 9 4975 1 1 30 PRO C C -13.435 -1.984 3.808 1.00 . A A . 74 PRO C 1 1 9 4976 1 1 30 PRO CA C -12.719 -2.693 4.960 1.00 . A A . 74 PRO CA 1 1 9 4977 1 1 30 PRO CB C -13.638 -2.818 6.177 1.00 . A A . 74 PRO CB 1 1 9 4978 1 1 30 PRO CD C -11.764 -1.437 6.828 1.00 . A A . 74 PRO CD 1 1 9 4979 1 1 30 PRO CG C -12.825 -2.365 7.352 1.00 . A A . 74 PRO CG 1 1 9 4980 1 1 30 PRO HA H -12.374 -3.666 4.653 1.00 . A A . 74 PRO HA 1 1 9 4981 1 1 30 PRO HB2 H -14.507 -2.184 6.055 1.00 . A A . 74 PRO HB2 1 1 9 4982 1 1 30 PRO HB3 H -13.940 -3.847 6.314 1.00 . A A . 74 PRO HB3 1 1 9 4983 1 1 30 PRO HD2 H -12.105 -0.412 6.873 1.00 . A A . 74 PRO HD2 1 1 9 4984 1 1 30 PRO HD3 H -10.844 -1.560 7.378 1.00 . A A . 74 PRO HD3 1 1 9 4985 1 1 30 PRO HG2 H -13.457 -1.845 8.058 1.00 . A A . 74 PRO HG2 1 1 9 4986 1 1 30 PRO HG3 H -12.361 -3.215 7.829 1.00 . A A . 74 PRO HG3 1 1 9 4987 1 1 30 PRO N N -11.586 -1.865 5.441 1.00 . A A . 74 PRO N 1 1 9 4988 1 1 30 PRO O O -14.273 -2.553 3.137 1.00 . A A . 74 PRO O 1 1 9 4989 1 1 31 ALA C C -13.022 -0.208 1.155 1.00 . A A . 75 ALA C 1 1 9 4990 1 1 31 ALA CA C -13.766 0.015 2.473 1.00 . A A . 75 ALA CA 1 1 9 4991 1 1 31 ALA CB C -13.671 1.481 2.893 1.00 . A A . 75 ALA CB 1 1 9 4992 1 1 31 ALA H H -12.435 -0.303 4.134 1.00 . A A . 75 ALA H 1 1 9 4993 1 1 31 ALA HA H -14.800 -0.275 2.378 1.00 . A A . 75 ALA HA 1 1 9 4994 1 1 31 ALA HB1 H -12.669 1.690 3.240 1.00 . A A . 75 ALA HB1 1 1 9 4995 1 1 31 ALA HB2 H -13.898 2.112 2.046 1.00 . A A . 75 ALA HB2 1 1 9 4996 1 1 31 ALA HB3 H -14.376 1.675 3.687 1.00 . A A . 75 ALA HB3 1 1 9 4997 1 1 31 ALA N N -13.110 -0.742 3.578 1.00 . A A . 75 ALA N 1 1 9 4998 1 1 31 ALA O O -13.612 -0.223 0.094 1.00 . A A . 75 ALA O 1 1 9 4999 1 1 32 PHE C C -10.155 -1.889 0.038 1.00 . A A . 76 PHE C 1 1 9 5000 1 1 32 PHE CA C -10.950 -0.584 -0.040 1.00 . A A . 76 PHE CA 1 1 9 5001 1 1 32 PHE CB C -10.002 0.615 -0.130 1.00 . A A . 76 PHE CB 1 1 9 5002 1 1 32 PHE CD1 C -10.851 2.294 1.547 1.00 . A A . 76 PHE CD1 1 1 9 5003 1 1 32 PHE CD2 C -11.341 2.642 -0.802 1.00 . A A . 76 PHE CD2 1 1 9 5004 1 1 32 PHE CE1 C -11.545 3.468 1.866 1.00 . A A . 76 PHE CE1 1 1 9 5005 1 1 32 PHE CE2 C -12.034 3.816 -0.484 1.00 . A A . 76 PHE CE2 1 1 9 5006 1 1 32 PHE CG C -10.750 1.881 0.213 1.00 . A A . 76 PHE CG 1 1 9 5007 1 1 32 PHE CZ C -12.136 4.228 0.850 1.00 . A A . 76 PHE CZ 1 1 9 5008 1 1 32 PHE H H -11.270 -0.352 2.075 1.00 . A A . 76 PHE H 1 1 9 5009 1 1 32 PHE HA H -11.609 -0.594 -0.891 1.00 . A A . 76 PHE HA 1 1 9 5010 1 1 32 PHE HB2 H -9.185 0.479 0.566 1.00 . A A . 76 PHE HB2 1 1 9 5011 1 1 32 PHE HB3 H -9.612 0.689 -1.136 1.00 . A A . 76 PHE HB3 1 1 9 5012 1 1 32 PHE HD1 H -10.395 1.706 2.331 1.00 . A A . 76 PHE HD1 1 1 9 5013 1 1 32 PHE HD2 H -11.262 2.323 -1.831 1.00 . A A . 76 PHE HD2 1 1 9 5014 1 1 32 PHE HE1 H -11.623 3.786 2.895 1.00 . A A . 76 PHE HE1 1 1 9 5015 1 1 32 PHE HE2 H -12.490 4.402 -1.268 1.00 . A A . 76 PHE HE2 1 1 9 5016 1 1 32 PHE HZ H -12.671 5.134 1.096 1.00 . A A . 76 PHE HZ 1 1 9 5017 1 1 32 PHE N N -11.729 -0.373 1.212 1.00 . A A . 76 PHE N 1 1 9 5018 1 1 32 PHE O O -10.235 -2.622 1.003 1.00 . A A . 76 PHE O 1 1 9 5019 1 1 33 GLU C C -7.597 -3.436 -2.138 1.00 . A A . 77 GLU C 1 1 9 5020 1 1 33 GLU CA C -8.584 -3.438 -0.967 1.00 . A A . 77 GLU CA 1 1 9 5021 1 1 33 GLU CB C -9.605 -4.565 -1.129 1.00 . A A . 77 GLU CB 1 1 9 5022 1 1 33 GLU CD C -9.758 -7.058 -1.158 1.00 . A A . 77 GLU CD 1 1 9 5023 1 1 33 GLU CG C -8.886 -5.857 -1.522 1.00 . A A . 77 GLU CG 1 1 9 5024 1 1 33 GLU H H -9.339 -1.576 -1.744 1.00 . A A . 77 GLU H 1 1 9 5025 1 1 33 GLU HA H -8.060 -3.546 -0.030 1.00 . A A . 77 GLU HA 1 1 9 5026 1 1 33 GLU HB2 H -10.128 -4.713 -0.195 1.00 . A A . 77 GLU HB2 1 1 9 5027 1 1 33 GLU HB3 H -10.313 -4.301 -1.900 1.00 . A A . 77 GLU HB3 1 1 9 5028 1 1 33 GLU HG2 H -8.700 -5.855 -2.587 1.00 . A A . 77 GLU HG2 1 1 9 5029 1 1 33 GLU HG3 H -7.947 -5.921 -0.993 1.00 . A A . 77 GLU HG3 1 1 9 5030 1 1 33 GLU N N -9.388 -2.183 -0.976 1.00 . A A . 77 GLU N 1 1 9 5031 1 1 33 GLU O O -7.805 -2.776 -3.136 1.00 . A A . 77 GLU O 1 1 9 5032 1 1 33 GLU OE1 O -10.877 -7.122 -1.639 1.00 . A A . 77 GLU OE1 1 1 9 5033 1 1 33 GLU OE2 O -9.292 -7.896 -0.402 1.00 . A A . 77 GLU OE2 1 1 9 5034 1 1 34 GLY C C -4.143 -3.840 -2.590 1.00 . A A . 78 GLY C 1 1 9 5035 1 1 34 GLY CA C -5.527 -4.202 -3.132 1.00 . A A . 78 GLY CA 1 1 9 5036 1 1 34 GLY H H -6.370 -4.692 -1.210 1.00 . A A . 78 GLY H 1 1 9 5037 1 1 34 GLY HA2 H -5.500 -5.195 -3.558 1.00 . A A . 78 GLY HA2 1 1 9 5038 1 1 34 GLY HA3 H -5.809 -3.489 -3.891 1.00 . A A . 78 GLY HA3 1 1 9 5039 1 1 34 GLY N N -6.522 -4.166 -2.023 1.00 . A A . 78 GLY N 1 1 9 5040 1 1 34 GLY O O -4.012 -3.251 -1.535 1.00 . A A . 78 GLY O 1 1 9 5041 1 1 35 ARG C C -1.572 -2.356 -2.636 1.00 . A A . 79 ARG C 1 1 9 5042 1 1 35 ARG CA C -1.730 -3.866 -2.836 1.00 . A A . 79 ARG CA 1 1 9 5043 1 1 35 ARG CB C -0.807 -4.358 -3.952 1.00 . A A . 79 ARG CB 1 1 9 5044 1 1 35 ARG CD C 1.604 -4.938 -4.252 1.00 . A A . 79 ARG CD 1 1 9 5045 1 1 35 ARG CG C 0.628 -3.921 -3.658 1.00 . A A . 79 ARG CG 1 1 9 5046 1 1 35 ARG CZ C 1.951 -7.293 -3.805 1.00 . A A . 79 ARG CZ 1 1 9 5047 1 1 35 ARG H H -3.237 -4.661 -4.154 1.00 . A A . 79 ARG H 1 1 9 5048 1 1 35 ARG HA H -1.513 -4.392 -1.920 1.00 . A A . 79 ARG HA 1 1 9 5049 1 1 35 ARG HB2 H -0.853 -5.436 -4.005 1.00 . A A . 79 ARG HB2 1 1 9 5050 1 1 35 ARG HB3 H -1.125 -3.936 -4.893 1.00 . A A . 79 ARG HB3 1 1 9 5051 1 1 35 ARG HD2 H 1.341 -5.154 -5.279 1.00 . A A . 79 ARG HD2 1 1 9 5052 1 1 35 ARG HD3 H 2.616 -4.571 -4.191 1.00 . A A . 79 ARG HD3 1 1 9 5053 1 1 35 ARG HE H 0.977 -6.101 -2.552 1.00 . A A . 79 ARG HE 1 1 9 5054 1 1 35 ARG HG2 H 0.807 -2.950 -4.099 1.00 . A A . 79 ARG HG2 1 1 9 5055 1 1 35 ARG HG3 H 0.777 -3.864 -2.590 1.00 . A A . 79 ARG HG3 1 1 9 5056 1 1 35 ARG HH11 H 3.569 -6.465 -4.643 1.00 . A A . 79 ARG HH11 1 1 9 5057 1 1 35 ARG HH12 H 3.467 -8.190 -4.758 1.00 . A A . 79 ARG HH12 1 1 9 5058 1 1 35 ARG HH21 H 0.450 -8.388 -3.060 1.00 . A A . 79 ARG HH21 1 1 9 5059 1 1 35 ARG HH22 H 1.701 -9.279 -3.861 1.00 . A A . 79 ARG HH22 1 1 9 5060 1 1 35 ARG N N -3.108 -4.187 -3.306 1.00 . A A . 79 ARG N 1 1 9 5061 1 1 35 ARG NE N 1.452 -6.155 -3.406 1.00 . A A . 79 ARG NE 1 1 9 5062 1 1 35 ARG NH1 N 3.085 -7.318 -4.452 1.00 . A A . 79 ARG NH1 1 1 9 5063 1 1 35 ARG NH2 N 1.318 -8.406 -3.555 1.00 . A A . 79 ARG NH2 1 1 9 5064 1 1 35 ARG O O -0.627 -1.898 -2.023 1.00 . A A . 79 ARG O 1 1 9 5065 1 1 36 ASN C C -3.772 0.525 -2.864 1.00 . A A . 80 ASN C 1 1 9 5066 1 1 36 ASN CA C -2.379 -0.098 -2.985 1.00 . A A . 80 ASN CA 1 1 9 5067 1 1 36 ASN CB C -1.682 0.390 -4.254 1.00 . A A . 80 ASN CB 1 1 9 5068 1 1 36 ASN CG C -0.218 -0.056 -4.236 1.00 . A A . 80 ASN CG 1 1 9 5069 1 1 36 ASN H H -3.239 -1.962 -3.641 1.00 . A A . 80 ASN H 1 1 9 5070 1 1 36 ASN HA H -1.781 0.143 -2.121 1.00 . A A . 80 ASN HA 1 1 9 5071 1 1 36 ASN HB2 H -2.176 -0.028 -5.120 1.00 . A A . 80 ASN HB2 1 1 9 5072 1 1 36 ASN HB3 H -1.727 1.468 -4.299 1.00 . A A . 80 ASN HB3 1 1 9 5073 1 1 36 ASN HD21 H -0.428 -1.273 -5.793 1.00 . A A . 80 ASN HD21 1 1 9 5074 1 1 36 ASN HD22 H 1.138 -1.210 -5.118 1.00 . A A . 80 ASN HD22 1 1 9 5075 1 1 36 ASN N N -2.485 -1.577 -3.149 1.00 . A A . 80 ASN N 1 1 9 5076 1 1 36 ASN ND2 N 0.198 -0.917 -5.122 1.00 . A A . 80 ASN ND2 1 1 9 5077 1 1 36 ASN O O -4.032 1.590 -3.387 1.00 . A A . 80 ASN O 1 1 9 5078 1 1 36 ASN OD1 O 0.552 0.382 -3.406 1.00 . A A . 80 ASN OD1 1 1 9 5079 1 1 37 CYS C C -6.532 0.989 -3.372 1.00 . A A . 81 CYS C 1 1 9 5080 1 1 37 CYS CA C -6.047 0.431 -2.032 1.00 . A A . 81 CYS CA 1 1 9 5081 1 1 37 CYS CB C -5.915 1.556 -1.003 1.00 . A A . 81 CYS CB 1 1 9 5082 1 1 37 CYS H H -4.443 -0.989 -1.767 1.00 . A A . 81 CYS H 1 1 9 5083 1 1 37 CYS HA H -6.726 -0.325 -1.669 1.00 . A A . 81 CYS HA 1 1 9 5084 1 1 37 CYS HB2 H -5.426 2.404 -1.458 1.00 . A A . 81 CYS HB2 1 1 9 5085 1 1 37 CYS HB3 H -6.898 1.849 -0.663 1.00 . A A . 81 CYS HB3 1 1 9 5086 1 1 37 CYS N N -4.672 -0.129 -2.181 1.00 . A A . 81 CYS N 1 1 9 5087 1 1 37 CYS O O -7.354 1.883 -3.423 1.00 . A A . 81 CYS O 1 1 9 5088 1 1 37 CYS SG S -4.936 0.985 0.409 1.00 . A A . 81 CYS SG 1 1 9 5089 1 1 38 GLU C C -7.821 0.388 -6.172 1.00 . A A . 82 GLU C 1 1 9 5090 1 1 38 GLU CA C -6.457 0.974 -5.794 1.00 . A A . 82 GLU CA 1 1 9 5091 1 1 38 GLU CB C -5.371 0.492 -6.762 1.00 . A A . 82 GLU CB 1 1 9 5092 1 1 38 GLU CD C -4.841 -0.023 -9.149 1.00 . A A . 82 GLU CD 1 1 9 5093 1 1 38 GLU CG C -5.903 0.529 -8.196 1.00 . A A . 82 GLU CG 1 1 9 5094 1 1 38 GLU H H -5.365 -0.248 -4.395 1.00 . A A . 82 GLU H 1 1 9 5095 1 1 38 GLU HA H -6.497 2.051 -5.795 1.00 . A A . 82 GLU HA 1 1 9 5096 1 1 38 GLU HB2 H -4.507 1.137 -6.681 1.00 . A A . 82 GLU HB2 1 1 9 5097 1 1 38 GLU HB3 H -5.090 -0.521 -6.509 1.00 . A A . 82 GLU HB3 1 1 9 5098 1 1 38 GLU HG2 H -6.797 -0.073 -8.263 1.00 . A A . 82 GLU HG2 1 1 9 5099 1 1 38 GLU HG3 H -6.134 1.548 -8.468 1.00 . A A . 82 GLU HG3 1 1 9 5100 1 1 38 GLU N N -6.029 0.470 -4.458 1.00 . A A . 82 GLU N 1 1 9 5101 1 1 38 GLU O O -8.497 0.882 -7.053 1.00 . A A . 82 GLU O 1 1 9 5102 1 1 38 GLU OE1 O -4.014 -0.797 -8.698 1.00 . A A . 82 GLU OE1 1 1 9 5103 1 1 38 GLU OE2 O -4.873 0.340 -10.314 1.00 . A A . 82 GLU OE2 1 1 9 5104 1 1 39 THR C C -10.587 -0.907 -4.773 1.00 . A A . 83 THR C 1 1 9 5105 1 1 39 THR CA C -9.553 -1.274 -5.840 1.00 . A A . 83 THR CA 1 1 9 5106 1 1 39 THR CB C -9.300 -2.783 -5.846 1.00 . A A . 83 THR CB 1 1 9 5107 1 1 39 THR CG2 C -10.604 -3.519 -6.154 1.00 . A A . 83 THR CG2 1 1 9 5108 1 1 39 THR H H -7.673 -1.048 -4.808 1.00 . A A . 83 THR H 1 1 9 5109 1 1 39 THR HA H -9.886 -0.954 -6.815 1.00 . A A . 83 THR HA 1 1 9 5110 1 1 39 THR HB H -8.937 -3.091 -4.878 1.00 . A A . 83 THR HB 1 1 9 5111 1 1 39 THR HG1 H -8.512 -2.553 -7.609 1.00 . A A . 83 THR HG1 1 1 9 5112 1 1 39 THR HG21 H -11.408 -2.805 -6.247 1.00 . A A . 83 THR HG21 1 1 9 5113 1 1 39 THR HG22 H -10.499 -4.066 -7.079 1.00 . A A . 83 THR HG22 1 1 9 5114 1 1 39 THR HG23 H -10.825 -4.208 -5.351 1.00 . A A . 83 THR HG23 1 1 9 5115 1 1 39 THR N N -8.232 -0.662 -5.514 1.00 . A A . 83 THR N 1 1 9 5116 1 1 39 THR O O -10.763 -1.609 -3.798 1.00 . A A . 83 THR O 1 1 9 5117 1 1 39 THR OG1 O -8.331 -3.095 -6.838 1.00 . A A . 83 THR OG1 1 1 9 5118 1 1 40 HIS C C -13.436 -0.424 -3.908 1.00 . A A . 84 HIS C 1 1 9 5119 1 1 40 HIS CA C -12.298 0.599 -3.947 1.00 . A A . 84 HIS CA 1 1 9 5120 1 1 40 HIS CB C -12.812 1.954 -4.433 1.00 . A A . 84 HIS CB 1 1 9 5121 1 1 40 HIS CD2 C -11.076 3.805 -3.749 1.00 . A A . 84 HIS CD2 1 1 9 5122 1 1 40 HIS CE1 C -9.984 3.918 -5.618 1.00 . A A . 84 HIS CE1 1 1 9 5123 1 1 40 HIS CG C -11.655 2.900 -4.604 1.00 . A A . 84 HIS CG 1 1 9 5124 1 1 40 HIS H H -11.117 0.741 -5.745 1.00 . A A . 84 HIS H 1 1 9 5125 1 1 40 HIS HA H -11.849 0.703 -2.971 1.00 . A A . 84 HIS HA 1 1 9 5126 1 1 40 HIS HB2 H -13.316 1.828 -5.380 1.00 . A A . 84 HIS HB2 1 1 9 5127 1 1 40 HIS HB3 H -13.502 2.359 -3.709 1.00 . A A . 84 HIS HB3 1 1 9 5128 1 1 40 HIS HD1 H -11.106 2.470 -6.605 1.00 . A A . 84 HIS HD1 1 1 9 5129 1 1 40 HIS HD2 H -11.391 3.990 -2.733 1.00 . A A . 84 HIS HD2 1 1 9 5130 1 1 40 HIS HE1 H -9.272 4.201 -6.378 1.00 . A A . 84 HIS HE1 1 1 9 5131 1 1 40 HIS N N -11.274 0.189 -4.951 1.00 . A A . 84 HIS N 1 1 9 5132 1 1 40 HIS ND1 N -10.942 2.988 -5.790 1.00 . A A . 84 HIS ND1 1 1 9 5133 1 1 40 HIS NE2 N -10.021 4.447 -4.392 1.00 . A A . 84 HIS NE2 1 1 9 5134 1 1 40 HIS O O -14.013 -0.763 -4.922 1.00 . A A . 84 HIS O 1 1 9 5135 1 1 41 LYS C C -16.187 -1.298 -3.112 1.00 . A A . 85 LYS C 1 1 9 5136 1 1 41 LYS CA C -14.867 -1.919 -2.647 1.00 . A A . 85 LYS CA 1 1 9 5137 1 1 41 LYS CB C -14.940 -2.287 -1.164 1.00 . A A . 85 LYS CB 1 1 9 5138 1 1 41 LYS CD C -13.685 -3.298 0.745 1.00 . A A . 85 LYS CD 1 1 9 5139 1 1 41 LYS CE C -13.470 -4.813 0.789 1.00 . A A . 85 LYS CE 1 1 9 5140 1 1 41 LYS CG C -13.579 -2.810 -0.701 1.00 . A A . 85 LYS CG 1 1 9 5141 1 1 41 LYS H H -13.288 -0.632 -1.938 1.00 . A A . 85 LYS H 1 1 9 5142 1 1 41 LYS HA H -14.634 -2.795 -3.233 1.00 . A A . 85 LYS HA 1 1 9 5143 1 1 41 LYS HB2 H -15.205 -1.410 -0.590 1.00 . A A . 85 LYS HB2 1 1 9 5144 1 1 41 LYS HB3 H -15.686 -3.054 -1.021 1.00 . A A . 85 LYS HB3 1 1 9 5145 1 1 41 LYS HD2 H -12.934 -2.809 1.347 1.00 . A A . 85 LYS HD2 1 1 9 5146 1 1 41 LYS HD3 H -14.666 -3.066 1.132 1.00 . A A . 85 LYS HD3 1 1 9 5147 1 1 41 LYS HE2 H -13.657 -5.247 -0.183 1.00 . A A . 85 LYS HE2 1 1 9 5148 1 1 41 LYS HE3 H -12.468 -5.041 1.118 1.00 . A A . 85 LYS HE3 1 1 9 5149 1 1 41 LYS HG2 H -13.272 -3.626 -1.337 1.00 . A A . 85 LYS HG2 1 1 9 5150 1 1 41 LYS HG3 H -12.850 -2.016 -0.756 1.00 . A A . 85 LYS HG3 1 1 9 5151 1 1 41 LYS HZ1 H -15.336 -4.757 1.709 1.00 . A A . 85 LYS HZ1 1 1 9 5152 1 1 41 LYS HZ2 H -14.666 -6.315 1.594 1.00 . A A . 85 LYS HZ2 1 1 9 5153 1 1 41 LYS HZ3 H -14.067 -5.218 2.741 1.00 . A A . 85 LYS HZ3 1 1 9 5154 1 1 41 LYS N N -13.765 -0.919 -2.746 1.00 . A A . 85 LYS N 1 1 9 5155 1 1 41 LYS NZ N -14.459 -5.313 1.783 1.00 . A A . 85 LYS NZ 1 1 9 5156 1 1 41 LYS O O -16.231 -0.088 -3.258 1.00 . A A . 85 LYS O 1 1 9 5157 1 1 41 LYS OXT O -17.130 -2.045 -3.314 1.00 . A A . 85 LYS OXT 1 1 10 5158 1 1 1 SER C C 15.445 1.659 6.855 1.00 . A A . 45 SER C 1 1 10 5159 1 1 1 SER CA C 16.105 2.527 7.930 1.00 . A A . 45 SER CA 1 1 10 5160 1 1 1 SER CB C 16.961 3.618 7.287 1.00 . A A . 45 SER CB 1 1 10 5161 1 1 1 SER H1 H 17.705 1.204 8.099 1.00 . A A . 45 SER H1 1 1 10 5162 1 1 1 SER H2 H 17.608 2.338 9.360 1.00 . A A . 45 SER H2 1 1 10 5163 1 1 1 SER H3 H 16.532 1.025 9.309 1.00 . A A . 45 SER H3 1 1 10 5164 1 1 1 SER HA H 15.358 2.972 8.567 1.00 . A A . 45 SER HA 1 1 10 5165 1 1 1 SER HB2 H 17.696 3.167 6.641 1.00 . A A . 45 SER HB2 1 1 10 5166 1 1 1 SER HB3 H 16.327 4.274 6.705 1.00 . A A . 45 SER HB3 1 1 10 5167 1 1 1 SER HG H 18.462 3.928 8.485 1.00 . A A . 45 SER HG 1 1 10 5168 1 1 1 SER N N 17.060 1.711 8.735 1.00 . A A . 45 SER N 1 1 10 5169 1 1 1 SER O O 14.287 1.306 6.958 1.00 . A A . 45 SER O 1 1 10 5170 1 1 1 SER OG O 17.622 4.357 8.306 1.00 . A A . 45 SER OG 1 1 10 5171 1 1 2 ASP C C 14.155 0.894 4.438 1.00 . A A . 46 ASP C 1 1 10 5172 1 1 2 ASP CA C 15.597 0.472 4.738 1.00 . A A . 46 ASP CA 1 1 10 5173 1 1 2 ASP CB C 15.643 -0.960 5.279 1.00 . A A . 46 ASP CB 1 1 10 5174 1 1 2 ASP CG C 14.525 -1.163 6.305 1.00 . A A . 46 ASP CG 1 1 10 5175 1 1 2 ASP H H 17.106 1.616 5.768 1.00 . A A . 46 ASP H 1 1 10 5176 1 1 2 ASP HA H 16.202 0.545 3.848 1.00 . A A . 46 ASP HA 1 1 10 5177 1 1 2 ASP HB2 H 15.512 -1.656 4.463 1.00 . A A . 46 ASP HB2 1 1 10 5178 1 1 2 ASP HB3 H 16.598 -1.136 5.750 1.00 . A A . 46 ASP HB3 1 1 10 5179 1 1 2 ASP N N 16.174 1.317 5.826 1.00 . A A . 46 ASP N 1 1 10 5180 1 1 2 ASP O O 13.729 1.975 4.792 1.00 . A A . 46 ASP O 1 1 10 5181 1 1 2 ASP OD1 O 13.387 -1.305 5.891 1.00 . A A . 46 ASP OD1 1 1 10 5182 1 1 2 ASP OD2 O 14.829 -1.173 7.487 1.00 . A A . 46 ASP OD2 1 1 10 5183 1 1 3 GLY C C 11.967 1.597 2.512 1.00 . A A . 47 GLY C 1 1 10 5184 1 1 3 GLY CA C 11.990 0.403 3.467 1.00 . A A . 47 GLY CA 1 1 10 5185 1 1 3 GLY H H 13.766 -0.818 3.511 1.00 . A A . 47 GLY H 1 1 10 5186 1 1 3 GLY HA2 H 11.505 -0.443 3.002 1.00 . A A . 47 GLY HA2 1 1 10 5187 1 1 3 GLY HA3 H 11.469 0.663 4.376 1.00 . A A . 47 GLY HA3 1 1 10 5188 1 1 3 GLY N N 13.402 0.049 3.789 1.00 . A A . 47 GLY N 1 1 10 5189 1 1 3 GLY O O 11.644 2.704 2.895 1.00 . A A . 47 GLY O 1 1 10 5190 1 1 4 ASP C C 11.015 2.482 -0.539 1.00 . A A . 48 ASP C 1 1 10 5191 1 1 4 ASP CA C 12.301 2.507 0.291 1.00 . A A . 48 ASP CA 1 1 10 5192 1 1 4 ASP CB C 13.519 2.261 -0.600 1.00 . A A . 48 ASP CB 1 1 10 5193 1 1 4 ASP CG C 14.786 2.712 0.131 1.00 . A A . 48 ASP CG 1 1 10 5194 1 1 4 ASP H H 12.562 0.482 0.981 1.00 . A A . 48 ASP H 1 1 10 5195 1 1 4 ASP HA H 12.403 3.452 0.802 1.00 . A A . 48 ASP HA 1 1 10 5196 1 1 4 ASP HB2 H 13.590 1.209 -0.829 1.00 . A A . 48 ASP HB2 1 1 10 5197 1 1 4 ASP HB3 H 13.416 2.824 -1.515 1.00 . A A . 48 ASP HB3 1 1 10 5198 1 1 4 ASP N N 12.306 1.382 1.270 1.00 . A A . 48 ASP N 1 1 10 5199 1 1 4 ASP O O 10.450 3.509 -0.856 1.00 . A A . 48 ASP O 1 1 10 5200 1 1 4 ASP OD1 O 15.294 1.938 0.927 1.00 . A A . 48 ASP OD1 1 1 10 5201 1 1 4 ASP OD2 O 15.226 3.821 -0.117 1.00 . A A . 48 ASP OD2 1 1 10 5202 1 1 5 GLN C C 8.256 2.215 -1.178 1.00 . A A . 49 GLN C 1 1 10 5203 1 1 5 GLN CA C 9.298 1.223 -1.699 1.00 . A A . 49 GLN CA 1 1 10 5204 1 1 5 GLN CB C 8.809 -0.209 -1.512 1.00 . A A . 49 GLN CB 1 1 10 5205 1 1 5 GLN CD C 9.938 -0.788 -3.654 1.00 . A A . 49 GLN CD 1 1 10 5206 1 1 5 GLN CG C 9.781 -1.177 -2.187 1.00 . A A . 49 GLN CG 1 1 10 5207 1 1 5 GLN H H 11.019 0.497 -0.624 1.00 . A A . 49 GLN H 1 1 10 5208 1 1 5 GLN HA H 9.506 1.404 -2.735 1.00 . A A . 49 GLN HA 1 1 10 5209 1 1 5 GLN HB2 H 8.758 -0.429 -0.463 1.00 . A A . 49 GLN HB2 1 1 10 5210 1 1 5 GLN HB3 H 7.830 -0.317 -1.952 1.00 . A A . 49 GLN HB3 1 1 10 5211 1 1 5 GLN HE21 H 8.183 0.142 -3.730 1.00 . A A . 49 GLN HE21 1 1 10 5212 1 1 5 GLN HE22 H 9.081 0.151 -5.175 1.00 . A A . 49 GLN HE22 1 1 10 5213 1 1 5 GLN HG2 H 10.741 -1.127 -1.694 1.00 . A A . 49 GLN HG2 1 1 10 5214 1 1 5 GLN HG3 H 9.393 -2.182 -2.123 1.00 . A A . 49 GLN HG3 1 1 10 5215 1 1 5 GLN N N 10.548 1.314 -0.891 1.00 . A A . 49 GLN N 1 1 10 5216 1 1 5 GLN NE2 N 8.989 -0.110 -4.236 1.00 . A A . 49 GLN NE2 1 1 10 5217 1 1 5 GLN O O 7.651 2.950 -1.933 1.00 . A A . 49 GLN O 1 1 10 5218 1 1 5 GLN OE1 O 10.932 -1.102 -4.277 1.00 . A A . 49 GLN OE1 1 1 10 5219 1 1 6 CYS C C 7.671 4.554 0.914 1.00 . A A . 50 CYS C 1 1 10 5220 1 1 6 CYS CA C 7.039 3.179 0.684 1.00 . A A . 50 CYS CA 1 1 10 5221 1 1 6 CYS CB C 6.628 2.550 2.014 1.00 . A A . 50 CYS CB 1 1 10 5222 1 1 6 CYS H H 8.541 1.633 0.697 1.00 . A A . 50 CYS H 1 1 10 5223 1 1 6 CYS HA H 6.183 3.261 0.034 1.00 . A A . 50 CYS HA 1 1 10 5224 1 1 6 CYS HB2 H 7.510 2.343 2.603 1.00 . A A . 50 CYS HB2 1 1 10 5225 1 1 6 CYS HB3 H 5.986 3.232 2.553 1.00 . A A . 50 CYS HB3 1 1 10 5226 1 1 6 CYS N N 8.043 2.238 0.108 1.00 . A A . 50 CYS N 1 1 10 5227 1 1 6 CYS O O 7.519 5.150 1.961 1.00 . A A . 50 CYS O 1 1 10 5228 1 1 6 CYS SG S 5.737 1.006 1.699 1.00 . A A . 50 CYS SG 1 1 10 5229 1 1 7 ALA C C 8.113 7.494 -0.463 1.00 . A A . 51 ALA C 1 1 10 5230 1 1 7 ALA CA C 9.019 6.400 0.109 1.00 . A A . 51 ALA CA 1 1 10 5231 1 1 7 ALA CB C 10.324 6.314 -0.683 1.00 . A A . 51 ALA CB 1 1 10 5232 1 1 7 ALA H H 8.491 4.568 -0.894 1.00 . A A . 51 ALA H 1 1 10 5233 1 1 7 ALA HA H 9.231 6.590 1.149 1.00 . A A . 51 ALA HA 1 1 10 5234 1 1 7 ALA HB1 H 10.928 5.506 -0.298 1.00 . A A . 51 ALA HB1 1 1 10 5235 1 1 7 ALA HB2 H 10.101 6.132 -1.725 1.00 . A A . 51 ALA HB2 1 1 10 5236 1 1 7 ALA HB3 H 10.864 7.244 -0.589 1.00 . A A . 51 ALA HB3 1 1 10 5237 1 1 7 ALA N N 8.380 5.064 -0.057 1.00 . A A . 51 ALA N 1 1 10 5238 1 1 7 ALA O O 8.572 8.541 -0.875 1.00 . A A . 51 ALA O 1 1 10 5239 1 1 8 SER C C 4.446 7.817 -0.904 1.00 . A A . 52 SER C 1 1 10 5240 1 1 8 SER CA C 5.896 8.290 -1.037 1.00 . A A . 52 SER CA 1 1 10 5241 1 1 8 SER CB C 6.281 8.432 -2.509 1.00 . A A . 52 SER CB 1 1 10 5242 1 1 8 SER H H 6.477 6.410 -0.155 1.00 . A A . 52 SER H 1 1 10 5243 1 1 8 SER HA H 6.035 9.231 -0.529 1.00 . A A . 52 SER HA 1 1 10 5244 1 1 8 SER HB2 H 5.825 9.316 -2.919 1.00 . A A . 52 SER HB2 1 1 10 5245 1 1 8 SER HB3 H 7.357 8.511 -2.593 1.00 . A A . 52 SER HB3 1 1 10 5246 1 1 8 SER HG H 6.572 6.718 -3.386 1.00 . A A . 52 SER HG 1 1 10 5247 1 1 8 SER N N 6.829 7.261 -0.491 1.00 . A A . 52 SER N 1 1 10 5248 1 1 8 SER O O 3.610 8.108 -1.736 1.00 . A A . 52 SER O 1 1 10 5249 1 1 8 SER OG O 5.820 7.294 -3.225 1.00 . A A . 52 SER OG 1 1 10 5250 1 1 9 SER C C 2.180 6.094 -1.009 1.00 . A A . 53 SER C 1 1 10 5251 1 1 9 SER CA C 2.743 6.603 0.321 1.00 . A A . 53 SER CA 1 1 10 5252 1 1 9 SER CB C 1.958 7.823 0.803 1.00 . A A . 53 SER CB 1 1 10 5253 1 1 9 SER H H 4.829 6.869 0.798 1.00 . A A . 53 SER H 1 1 10 5254 1 1 9 SER HA H 2.711 5.825 1.067 1.00 . A A . 53 SER HA 1 1 10 5255 1 1 9 SER HB2 H 1.040 7.502 1.266 1.00 . A A . 53 SER HB2 1 1 10 5256 1 1 9 SER HB3 H 2.551 8.368 1.525 1.00 . A A . 53 SER HB3 1 1 10 5257 1 1 9 SER HG H 2.365 9.295 -0.401 1.00 . A A . 53 SER HG 1 1 10 5258 1 1 9 SER N N 4.140 7.092 0.136 1.00 . A A . 53 SER N 1 1 10 5259 1 1 9 SER O O 1.301 6.703 -1.586 1.00 . A A . 53 SER O 1 1 10 5260 1 1 9 SER OG O 1.656 8.655 -0.309 1.00 . A A . 53 SER OG 1 1 10 5261 1 1 10 PRO C C 0.902 3.708 -2.549 1.00 . A A . 54 PRO C 1 1 10 5262 1 1 10 PRO CA C 2.265 4.382 -2.728 1.00 . A A . 54 PRO CA 1 1 10 5263 1 1 10 PRO CB C 3.344 3.347 -3.033 1.00 . A A . 54 PRO CB 1 1 10 5264 1 1 10 PRO CD C 3.776 4.208 -0.809 1.00 . A A . 54 PRO CD 1 1 10 5265 1 1 10 PRO CG C 3.954 3.011 -1.708 1.00 . A A . 54 PRO CG 1 1 10 5266 1 1 10 PRO HA H 2.228 5.122 -3.512 1.00 . A A . 54 PRO HA 1 1 10 5267 1 1 10 PRO HB2 H 2.899 2.466 -3.479 1.00 . A A . 54 PRO HB2 1 1 10 5268 1 1 10 PRO HB3 H 4.092 3.765 -3.688 1.00 . A A . 54 PRO HB3 1 1 10 5269 1 1 10 PRO HD2 H 3.472 3.894 0.182 1.00 . A A . 54 PRO HD2 1 1 10 5270 1 1 10 PRO HD3 H 4.686 4.786 -0.763 1.00 . A A . 54 PRO HD3 1 1 10 5271 1 1 10 PRO HG2 H 3.455 2.152 -1.283 1.00 . A A . 54 PRO HG2 1 1 10 5272 1 1 10 PRO HG3 H 5.006 2.803 -1.830 1.00 . A A . 54 PRO HG3 1 1 10 5273 1 1 10 PRO N N 2.714 4.988 -1.451 1.00 . A A . 54 PRO N 1 1 10 5274 1 1 10 PRO O O 0.354 3.139 -3.471 1.00 . A A . 54 PRO O 1 1 10 5275 1 1 11 CYS C C -2.093 4.030 -1.637 1.00 . A A . 55 CYS C 1 1 10 5276 1 1 11 CYS CA C -0.972 3.123 -1.123 1.00 . A A . 55 CYS CA 1 1 10 5277 1 1 11 CYS CB C -1.073 2.958 0.398 1.00 . A A . 55 CYS CB 1 1 10 5278 1 1 11 CYS H H 0.816 4.228 -0.634 1.00 . A A . 55 CYS H 1 1 10 5279 1 1 11 CYS HA H -1.017 2.159 -1.604 1.00 . A A . 55 CYS HA 1 1 10 5280 1 1 11 CYS HB2 H -1.345 3.904 0.843 1.00 . A A . 55 CYS HB2 1 1 10 5281 1 1 11 CYS HB3 H -1.833 2.222 0.626 1.00 . A A . 55 CYS HB3 1 1 10 5282 1 1 11 CYS N N 0.354 3.766 -1.366 1.00 . A A . 55 CYS N 1 1 10 5283 1 1 11 CYS O O -1.853 5.128 -2.099 1.00 . A A . 55 CYS O 1 1 10 5284 1 1 11 CYS SG S 0.517 2.411 1.076 1.00 . A A . 55 CYS SG 1 1 10 5285 1 1 12 GLN C C -5.530 4.559 -0.977 1.00 . A A . 56 GLN C 1 1 10 5286 1 1 12 GLN CA C -4.446 4.423 -2.051 1.00 . A A . 56 GLN CA 1 1 10 5287 1 1 12 GLN CB C -4.994 3.683 -3.271 1.00 . A A . 56 GLN CB 1 1 10 5288 1 1 12 GLN CD C -4.499 2.962 -5.611 1.00 . A A . 56 GLN CD 1 1 10 5289 1 1 12 GLN CG C -3.955 3.710 -4.392 1.00 . A A . 56 GLN CG 1 1 10 5290 1 1 12 GLN H H -3.493 2.694 -1.191 1.00 . A A . 56 GLN H 1 1 10 5291 1 1 12 GLN HA H -4.085 5.393 -2.345 1.00 . A A . 56 GLN HA 1 1 10 5292 1 1 12 GLN HB2 H -5.210 2.659 -3.002 1.00 . A A . 56 GLN HB2 1 1 10 5293 1 1 12 GLN HB3 H -5.898 4.166 -3.609 1.00 . A A . 56 GLN HB3 1 1 10 5294 1 1 12 GLN HE21 H -6.297 3.801 -5.496 1.00 . A A . 56 GLN HE21 1 1 10 5295 1 1 12 GLN HE22 H -6.087 2.693 -6.776 1.00 . A A . 56 GLN HE22 1 1 10 5296 1 1 12 GLN HG2 H -3.745 4.735 -4.661 1.00 . A A . 56 GLN HG2 1 1 10 5297 1 1 12 GLN HG3 H -3.048 3.233 -4.054 1.00 . A A . 56 GLN HG3 1 1 10 5298 1 1 12 GLN N N -3.318 3.581 -1.562 1.00 . A A . 56 GLN N 1 1 10 5299 1 1 12 GLN NE2 N -5.729 3.169 -5.992 1.00 . A A . 56 GLN NE2 1 1 10 5300 1 1 12 GLN O O -5.497 3.902 0.044 1.00 . A A . 56 GLN O 1 1 10 5301 1 1 12 GLN OE1 O -3.796 2.181 -6.222 1.00 . A A . 56 GLN OE1 1 1 10 5302 1 1 13 ASN C C -7.046 5.592 1.210 1.00 . A A . 57 ASN C 1 1 10 5303 1 1 13 ASN CA C -7.593 5.603 -0.221 1.00 . A A . 57 ASN CA 1 1 10 5304 1 1 13 ASN CB C -8.539 4.423 -0.443 1.00 . A A . 57 ASN CB 1 1 10 5305 1 1 13 ASN CG C -8.986 4.394 -1.905 1.00 . A A . 57 ASN CG 1 1 10 5306 1 1 13 ASN H H -6.494 5.923 -2.047 1.00 . A A . 57 ASN H 1 1 10 5307 1 1 13 ASN HA H -8.113 6.528 -0.416 1.00 . A A . 57 ASN HA 1 1 10 5308 1 1 13 ASN HB2 H -8.028 3.503 -0.202 1.00 . A A . 57 ASN HB2 1 1 10 5309 1 1 13 ASN HB3 H -9.404 4.531 0.194 1.00 . A A . 57 ASN HB3 1 1 10 5310 1 1 13 ASN HD21 H -7.702 2.965 -2.414 1.00 . A A . 57 ASN HD21 1 1 10 5311 1 1 13 ASN HD22 H -8.695 3.538 -3.677 1.00 . A A . 57 ASN HD22 1 1 10 5312 1 1 13 ASN N N -6.493 5.409 -1.212 1.00 . A A . 57 ASN N 1 1 10 5313 1 1 13 ASN ND2 N -8.413 3.564 -2.733 1.00 . A A . 57 ASN ND2 1 1 10 5314 1 1 13 ASN O O -7.417 4.767 2.020 1.00 . A A . 57 ASN O 1 1 10 5315 1 1 13 ASN OD1 O -9.866 5.134 -2.298 1.00 . A A . 57 ASN OD1 1 1 10 5316 1 1 14 GLY C C -5.294 5.156 3.407 1.00 . A A . 58 GLY C 1 1 10 5317 1 1 14 GLY CA C -5.611 6.568 2.907 1.00 . A A . 58 GLY CA 1 1 10 5318 1 1 14 GLY H H -5.897 7.172 0.859 1.00 . A A . 58 GLY H 1 1 10 5319 1 1 14 GLY HA2 H -4.705 7.158 2.899 1.00 . A A . 58 GLY HA2 1 1 10 5320 1 1 14 GLY HA3 H -6.330 7.025 3.569 1.00 . A A . 58 GLY HA3 1 1 10 5321 1 1 14 GLY N N -6.175 6.512 1.527 1.00 . A A . 58 GLY N 1 1 10 5322 1 1 14 GLY O O -5.764 4.739 4.446 1.00 . A A . 58 GLY O 1 1 10 5323 1 1 15 GLY C C -2.716 3.020 3.655 1.00 . A A . 59 GLY C 1 1 10 5324 1 1 15 GLY CA C -4.155 3.040 3.132 1.00 . A A . 59 GLY CA 1 1 10 5325 1 1 15 GLY H H -4.123 4.771 1.848 1.00 . A A . 59 GLY H 1 1 10 5326 1 1 15 GLY HA2 H -4.833 2.741 3.923 1.00 . A A . 59 GLY HA2 1 1 10 5327 1 1 15 GLY HA3 H -4.243 2.356 2.301 1.00 . A A . 59 GLY HA3 1 1 10 5328 1 1 15 GLY N N -4.498 4.419 2.683 1.00 . A A . 59 GLY N 1 1 10 5329 1 1 15 GLY O O -1.926 3.893 3.354 1.00 . A A . 59 GLY O 1 1 10 5330 1 1 16 SER C C -0.038 1.335 3.943 1.00 . A A . 60 SER C 1 1 10 5331 1 1 16 SER CA C -0.977 1.965 4.976 1.00 . A A . 60 SER CA 1 1 10 5332 1 1 16 SER CB C -1.079 1.080 6.218 1.00 . A A . 60 SER CB 1 1 10 5333 1 1 16 SER H H -3.018 1.339 4.668 1.00 . A A . 60 SER H 1 1 10 5334 1 1 16 SER HA H -0.630 2.948 5.253 1.00 . A A . 60 SER HA 1 1 10 5335 1 1 16 SER HB2 H -1.759 1.523 6.924 1.00 . A A . 60 SER HB2 1 1 10 5336 1 1 16 SER HB3 H -1.446 0.102 5.933 1.00 . A A . 60 SER HB3 1 1 10 5337 1 1 16 SER HG H 0.272 0.088 7.208 1.00 . A A . 60 SER HG 1 1 10 5338 1 1 16 SER N N -2.368 2.034 4.437 1.00 . A A . 60 SER N 1 1 10 5339 1 1 16 SER O O -0.472 0.723 2.990 1.00 . A A . 60 SER O 1 1 10 5340 1 1 16 SER OG O 0.206 0.962 6.817 1.00 . A A . 60 SER OG 1 1 10 5341 1 1 17 CYS C C 3.071 -0.178 3.822 1.00 . A A . 61 CYS C 1 1 10 5342 1 1 17 CYS CA C 2.206 0.889 3.145 1.00 . A A . 61 CYS CA 1 1 10 5343 1 1 17 CYS CB C 3.079 2.055 2.682 1.00 . A A . 61 CYS CB 1 1 10 5344 1 1 17 CYS H H 1.581 1.979 4.897 1.00 . A A . 61 CYS H 1 1 10 5345 1 1 17 CYS HA H 1.678 0.468 2.304 1.00 . A A . 61 CYS HA 1 1 10 5346 1 1 17 CYS HB2 H 2.467 2.931 2.531 1.00 . A A . 61 CYS HB2 1 1 10 5347 1 1 17 CYS HB3 H 3.827 2.265 3.433 1.00 . A A . 61 CYS HB3 1 1 10 5348 1 1 17 CYS N N 1.247 1.481 4.123 1.00 . A A . 61 CYS N 1 1 10 5349 1 1 17 CYS O O 3.684 0.068 4.843 1.00 . A A . 61 CYS O 1 1 10 5350 1 1 17 CYS SG S 3.896 1.611 1.130 1.00 . A A . 61 CYS SG 1 1 10 5351 1 1 18 LYS C C 5.167 -2.745 2.959 1.00 . A A . 62 LYS C 1 1 10 5352 1 1 18 LYS CA C 3.986 -2.419 3.880 1.00 . A A . 62 LYS CA 1 1 10 5353 1 1 18 LYS CB C 3.059 -3.630 4.050 1.00 . A A . 62 LYS CB 1 1 10 5354 1 1 18 LYS CD C 2.940 -6.128 4.085 1.00 . A A . 62 LYS CD 1 1 10 5355 1 1 18 LYS CE C 2.980 -6.834 5.441 1.00 . A A . 62 LYS CE 1 1 10 5356 1 1 18 LYS CG C 3.881 -4.923 4.108 1.00 . A A . 62 LYS CG 1 1 10 5357 1 1 18 LYS H H 2.645 -1.535 2.426 1.00 . A A . 62 LYS H 1 1 10 5358 1 1 18 LYS HA H 4.344 -2.093 4.844 1.00 . A A . 62 LYS HA 1 1 10 5359 1 1 18 LYS HB2 H 2.496 -3.523 4.965 1.00 . A A . 62 LYS HB2 1 1 10 5360 1 1 18 LYS HB3 H 2.378 -3.679 3.218 1.00 . A A . 62 LYS HB3 1 1 10 5361 1 1 18 LYS HD2 H 1.933 -5.794 3.880 1.00 . A A . 62 LYS HD2 1 1 10 5362 1 1 18 LYS HD3 H 3.254 -6.816 3.314 1.00 . A A . 62 LYS HD3 1 1 10 5363 1 1 18 LYS HE2 H 3.784 -7.558 5.464 1.00 . A A . 62 LYS HE2 1 1 10 5364 1 1 18 LYS HE3 H 3.095 -6.116 6.237 1.00 . A A . 62 LYS HE3 1 1 10 5365 1 1 18 LYS HG2 H 4.545 -4.968 3.255 1.00 . A A . 62 LYS HG2 1 1 10 5366 1 1 18 LYS HG3 H 4.462 -4.939 5.018 1.00 . A A . 62 LYS HG3 1 1 10 5367 1 1 18 LYS HZ1 H 0.898 -6.819 5.445 1.00 . A A . 62 LYS HZ1 1 1 10 5368 1 1 18 LYS HZ2 H 1.579 -8.243 4.817 1.00 . A A . 62 LYS HZ2 1 1 10 5369 1 1 18 LYS HZ3 H 1.585 -7.967 6.491 1.00 . A A . 62 LYS HZ3 1 1 10 5370 1 1 18 LYS N N 3.140 -1.354 3.260 1.00 . A A . 62 LYS N 1 1 10 5371 1 1 18 LYS NZ N 1.661 -7.517 5.558 1.00 . A A . 62 LYS NZ 1 1 10 5372 1 1 18 LYS O O 5.112 -2.534 1.765 1.00 . A A . 62 LYS O 1 1 10 5373 1 1 19 ASP C C 7.729 -5.085 2.753 1.00 . A A . 63 ASP C 1 1 10 5374 1 1 19 ASP CA C 7.419 -3.589 2.664 1.00 . A A . 63 ASP CA 1 1 10 5375 1 1 19 ASP CB C 8.569 -2.768 3.249 1.00 . A A . 63 ASP CB 1 1 10 5376 1 1 19 ASP CG C 8.543 -1.358 2.656 1.00 . A A . 63 ASP CG 1 1 10 5377 1 1 19 ASP H H 6.262 -3.413 4.475 1.00 . A A . 63 ASP H 1 1 10 5378 1 1 19 ASP HA H 7.245 -3.300 1.640 1.00 . A A . 63 ASP HA 1 1 10 5379 1 1 19 ASP HB2 H 8.460 -2.710 4.323 1.00 . A A . 63 ASP HB2 1 1 10 5380 1 1 19 ASP HB3 H 9.509 -3.241 3.007 1.00 . A A . 63 ASP HB3 1 1 10 5381 1 1 19 ASP N N 6.236 -3.254 3.508 1.00 . A A . 63 ASP N 1 1 10 5382 1 1 19 ASP O O 7.860 -5.640 3.827 1.00 . A A . 63 ASP O 1 1 10 5383 1 1 19 ASP OD1 O 7.705 -0.576 3.075 1.00 . A A . 63 ASP OD1 1 1 10 5384 1 1 19 ASP OD2 O 9.361 -1.083 1.794 1.00 . A A . 63 ASP OD2 1 1 10 5385 1 1 20 GLN C C 9.583 -7.463 1.181 1.00 . A A . 64 GLN C 1 1 10 5386 1 1 20 GLN CA C 8.148 -7.208 1.654 1.00 . A A . 64 GLN CA 1 1 10 5387 1 1 20 GLN CB C 7.141 -7.890 0.703 1.00 . A A . 64 GLN CB 1 1 10 5388 1 1 20 GLN CD C 5.071 -7.605 -0.674 1.00 . A A . 64 GLN CD 1 1 10 5389 1 1 20 GLN CG C 6.181 -6.869 0.077 1.00 . A A . 64 GLN CG 1 1 10 5390 1 1 20 GLN H H 7.735 -5.275 0.779 1.00 . A A . 64 GLN H 1 1 10 5391 1 1 20 GLN HA H 8.017 -7.594 2.653 1.00 . A A . 64 GLN HA 1 1 10 5392 1 1 20 GLN HB2 H 7.684 -8.393 -0.084 1.00 . A A . 64 GLN HB2 1 1 10 5393 1 1 20 GLN HB3 H 6.569 -8.620 1.257 1.00 . A A . 64 GLN HB3 1 1 10 5394 1 1 20 GLN HE21 H 4.435 -8.580 0.937 1.00 . A A . 64 GLN HE21 1 1 10 5395 1 1 20 GLN HE22 H 3.582 -8.911 -0.502 1.00 . A A . 64 GLN HE22 1 1 10 5396 1 1 20 GLN HG2 H 5.747 -6.259 0.856 1.00 . A A . 64 GLN HG2 1 1 10 5397 1 1 20 GLN HG3 H 6.725 -6.241 -0.613 1.00 . A A . 64 GLN HG3 1 1 10 5398 1 1 20 GLN N N 7.845 -5.743 1.633 1.00 . A A . 64 GLN N 1 1 10 5399 1 1 20 GLN NE2 N 4.299 -8.434 -0.026 1.00 . A A . 64 GLN NE2 1 1 10 5400 1 1 20 GLN O O 9.875 -8.474 0.577 1.00 . A A . 64 GLN O 1 1 10 5401 1 1 20 GLN OE1 O 4.903 -7.424 -1.865 1.00 . A A . 64 GLN OE1 1 1 10 5402 1 1 21 LEU C C 12.036 -6.626 -0.472 1.00 . A A . 65 LEU C 1 1 10 5403 1 1 21 LEU CA C 11.903 -6.722 1.045 1.00 . A A . 65 LEU CA 1 1 10 5404 1 1 21 LEU CB C 12.311 -8.111 1.541 1.00 . A A . 65 LEU CB 1 1 10 5405 1 1 21 LEU CD1 C 13.060 -8.930 3.781 1.00 . A A . 65 LEU CD1 1 1 10 5406 1 1 21 LEU CD2 C 14.749 -8.303 2.050 1.00 . A A . 65 LEU CD2 1 1 10 5407 1 1 21 LEU CG C 13.373 -7.968 2.633 1.00 . A A . 65 LEU CG 1 1 10 5408 1 1 21 LEU H H 10.215 -5.753 1.950 1.00 . A A . 65 LEU H 1 1 10 5409 1 1 21 LEU HA H 12.517 -5.979 1.511 1.00 . A A . 65 LEU HA 1 1 10 5410 1 1 21 LEU HB2 H 11.449 -8.621 1.946 1.00 . A A . 65 LEU HB2 1 1 10 5411 1 1 21 LEU HB3 H 12.717 -8.684 0.722 1.00 . A A . 65 LEU HB3 1 1 10 5412 1 1 21 LEU HD11 H 12.013 -8.858 4.035 1.00 . A A . 65 LEU HD11 1 1 10 5413 1 1 21 LEU HD12 H 13.288 -9.941 3.477 1.00 . A A . 65 LEU HD12 1 1 10 5414 1 1 21 LEU HD13 H 13.658 -8.669 4.642 1.00 . A A . 65 LEU HD13 1 1 10 5415 1 1 21 LEU HD21 H 14.665 -9.163 1.402 1.00 . A A . 65 LEU HD21 1 1 10 5416 1 1 21 LEU HD22 H 15.114 -7.460 1.484 1.00 . A A . 65 LEU HD22 1 1 10 5417 1 1 21 LEU HD23 H 15.435 -8.523 2.853 1.00 . A A . 65 LEU HD23 1 1 10 5418 1 1 21 LEU HG H 13.374 -6.954 3.004 1.00 . A A . 65 LEU HG 1 1 10 5419 1 1 21 LEU N N 10.479 -6.552 1.461 1.00 . A A . 65 LEU N 1 1 10 5420 1 1 21 LEU O O 12.364 -5.593 -1.019 1.00 . A A . 65 LEU O 1 1 10 5421 1 1 22 GLN C C 11.026 -6.581 -3.220 1.00 . A A . 66 GLN C 1 1 10 5422 1 1 22 GLN CA C 11.891 -7.697 -2.635 1.00 . A A . 66 GLN CA 1 1 10 5423 1 1 22 GLN CB C 11.374 -9.068 -3.075 1.00 . A A . 66 GLN CB 1 1 10 5424 1 1 22 GLN CD C 9.346 -10.512 -3.283 1.00 . A A . 66 GLN CD 1 1 10 5425 1 1 22 GLN CG C 9.855 -9.120 -2.903 1.00 . A A . 66 GLN CG 1 1 10 5426 1 1 22 GLN H H 11.523 -8.509 -0.671 1.00 . A A . 66 GLN H 1 1 10 5427 1 1 22 GLN HA H 12.919 -7.576 -2.938 1.00 . A A . 66 GLN HA 1 1 10 5428 1 1 22 GLN HB2 H 11.626 -9.230 -4.113 1.00 . A A . 66 GLN HB2 1 1 10 5429 1 1 22 GLN HB3 H 11.829 -9.837 -2.469 1.00 . A A . 66 GLN HB3 1 1 10 5430 1 1 22 GLN HE21 H 10.740 -11.462 -2.237 1.00 . A A . 66 GLN HE21 1 1 10 5431 1 1 22 GLN HE22 H 9.643 -12.463 -3.058 1.00 . A A . 66 GLN HE22 1 1 10 5432 1 1 22 GLN HG2 H 9.601 -8.911 -1.875 1.00 . A A . 66 GLN HG2 1 1 10 5433 1 1 22 GLN HG3 H 9.394 -8.384 -3.545 1.00 . A A . 66 GLN HG3 1 1 10 5434 1 1 22 GLN N N 11.784 -7.700 -1.146 1.00 . A A . 66 GLN N 1 1 10 5435 1 1 22 GLN NE2 N 9.960 -11.566 -2.821 1.00 . A A . 66 GLN NE2 1 1 10 5436 1 1 22 GLN O O 11.420 -5.884 -4.132 1.00 . A A . 66 GLN O 1 1 10 5437 1 1 22 GLN OE1 O 8.380 -10.642 -4.007 1.00 . A A . 66 GLN OE1 1 1 10 5438 1 1 23 SER C C 8.127 -4.769 -2.039 1.00 . A A . 67 SER C 1 1 10 5439 1 1 23 SER CA C 8.948 -5.334 -3.198 1.00 . A A . 67 SER CA 1 1 10 5440 1 1 23 SER CB C 8.043 -6.026 -4.217 1.00 . A A . 67 SER CB 1 1 10 5441 1 1 23 SER H H 9.557 -6.979 -1.951 1.00 . A A . 67 SER H 1 1 10 5442 1 1 23 SER HA H 9.519 -4.553 -3.676 1.00 . A A . 67 SER HA 1 1 10 5443 1 1 23 SER HB2 H 7.586 -5.288 -4.856 1.00 . A A . 67 SER HB2 1 1 10 5444 1 1 23 SER HB3 H 8.633 -6.704 -4.819 1.00 . A A . 67 SER HB3 1 1 10 5445 1 1 23 SER HG H 7.377 -7.009 -2.676 1.00 . A A . 67 SER HG 1 1 10 5446 1 1 23 SER N N 9.849 -6.405 -2.690 1.00 . A A . 67 SER N 1 1 10 5447 1 1 23 SER O O 8.630 -4.577 -0.952 1.00 . A A . 67 SER O 1 1 10 5448 1 1 23 SER OG O 7.027 -6.744 -3.530 1.00 . A A . 67 SER OG 1 1 10 5449 1 1 24 TYR C C 4.541 -4.178 -1.468 1.00 . A A . 68 TYR C 1 1 10 5450 1 1 24 TYR CA C 6.023 -3.967 -1.152 1.00 . A A . 68 TYR CA 1 1 10 5451 1 1 24 TYR CB C 6.359 -2.479 -1.081 1.00 . A A . 68 TYR CB 1 1 10 5452 1 1 24 TYR CD1 C 6.971 -2.024 -3.483 1.00 . A A . 68 TYR CD1 1 1 10 5453 1 1 24 TYR CD2 C 4.940 -1.044 -2.591 1.00 . A A . 68 TYR CD2 1 1 10 5454 1 1 24 TYR CE1 C 6.715 -1.424 -4.722 1.00 . A A . 68 TYR CE1 1 1 10 5455 1 1 24 TYR CE2 C 4.685 -0.445 -3.829 1.00 . A A . 68 TYR CE2 1 1 10 5456 1 1 24 TYR CG C 6.084 -1.834 -2.417 1.00 . A A . 68 TYR CG 1 1 10 5457 1 1 24 TYR CZ C 5.572 -0.635 -4.895 1.00 . A A . 68 TYR CZ 1 1 10 5458 1 1 24 TYR H H 6.474 -4.673 -3.137 1.00 . A A . 68 TYR H 1 1 10 5459 1 1 24 TYR HA H 6.277 -4.444 -0.219 1.00 . A A . 68 TYR HA 1 1 10 5460 1 1 24 TYR HB2 H 5.748 -2.008 -0.319 1.00 . A A . 68 TYR HB2 1 1 10 5461 1 1 24 TYR HB3 H 7.404 -2.361 -0.831 1.00 . A A . 68 TYR HB3 1 1 10 5462 1 1 24 TYR HD1 H 7.853 -2.633 -3.349 1.00 . A A . 68 TYR HD1 1 1 10 5463 1 1 24 TYR HD2 H 4.255 -0.897 -1.768 1.00 . A A . 68 TYR HD2 1 1 10 5464 1 1 24 TYR HE1 H 7.400 -1.571 -5.544 1.00 . A A . 68 TYR HE1 1 1 10 5465 1 1 24 TYR HE2 H 3.802 0.164 -3.963 1.00 . A A . 68 TYR HE2 1 1 10 5466 1 1 24 TYR HH H 5.729 0.824 -6.116 1.00 . A A . 68 TYR HH 1 1 10 5467 1 1 24 TYR N N 6.866 -4.508 -2.255 1.00 . A A . 68 TYR N 1 1 10 5468 1 1 24 TYR O O 4.176 -4.562 -2.562 1.00 . A A . 68 TYR O 1 1 10 5469 1 1 24 TYR OH O 5.320 -0.045 -6.117 1.00 . A A . 68 TYR OH 1 1 10 5470 1 1 25 ILE C C 1.437 -3.215 0.195 1.00 . A A . 69 ILE C 1 1 10 5471 1 1 25 ILE CA C 2.226 -4.114 -0.755 1.00 . A A . 69 ILE CA 1 1 10 5472 1 1 25 ILE CB C 1.961 -5.587 -0.449 1.00 . A A . 69 ILE CB 1 1 10 5473 1 1 25 ILE CD1 C 0.658 -6.446 -2.396 1.00 . A A . 69 ILE CD1 1 1 10 5474 1 1 25 ILE CG1 C 0.566 -5.967 -0.947 1.00 . A A . 69 ILE CG1 1 1 10 5475 1 1 25 ILE CG2 C 2.044 -5.821 1.061 1.00 . A A . 69 ILE CG2 1 1 10 5476 1 1 25 ILE H H 4.001 -3.621 0.357 1.00 . A A . 69 ILE H 1 1 10 5477 1 1 25 ILE HA H 1.978 -3.896 -1.781 1.00 . A A . 69 ILE HA 1 1 10 5478 1 1 25 ILE HB H 2.702 -6.197 -0.948 1.00 . A A . 69 ILE HB 1 1 10 5479 1 1 25 ILE HD11 H 1.635 -6.205 -2.791 1.00 . A A . 69 ILE HD11 1 1 10 5480 1 1 25 ILE HD12 H 0.509 -7.514 -2.432 1.00 . A A . 69 ILE HD12 1 1 10 5481 1 1 25 ILE HD13 H -0.101 -5.955 -2.986 1.00 . A A . 69 ILE HD13 1 1 10 5482 1 1 25 ILE HG12 H 0.166 -6.759 -0.329 1.00 . A A . 69 ILE HG12 1 1 10 5483 1 1 25 ILE HG13 H -0.083 -5.106 -0.895 1.00 . A A . 69 ILE HG13 1 1 10 5484 1 1 25 ILE HG21 H 2.947 -5.369 1.445 1.00 . A A . 69 ILE HG21 1 1 10 5485 1 1 25 ILE HG22 H 1.186 -5.375 1.541 1.00 . A A . 69 ILE HG22 1 1 10 5486 1 1 25 ILE HG23 H 2.059 -6.882 1.261 1.00 . A A . 69 ILE HG23 1 1 10 5487 1 1 25 ILE N N 3.685 -3.930 -0.517 1.00 . A A . 69 ILE N 1 1 10 5488 1 1 25 ILE O O 1.559 -3.313 1.396 1.00 . A A . 69 ILE O 1 1 10 5489 1 1 26 CYS C C -1.478 -2.059 0.954 1.00 . A A . 70 CYS C 1 1 10 5490 1 1 26 CYS CA C -0.136 -1.429 0.573 1.00 . A A . 70 CYS CA 1 1 10 5491 1 1 26 CYS CB C -0.365 -0.158 -0.234 1.00 . A A . 70 CYS CB 1 1 10 5492 1 1 26 CYS H H 0.553 -2.251 -1.298 1.00 . A A . 70 CYS H 1 1 10 5493 1 1 26 CYS HA H 0.435 -1.200 1.457 1.00 . A A . 70 CYS HA 1 1 10 5494 1 1 26 CYS HB2 H -0.552 -0.415 -1.265 1.00 . A A . 70 CYS HB2 1 1 10 5495 1 1 26 CYS HB3 H -1.213 0.369 0.171 1.00 . A A . 70 CYS HB3 1 1 10 5496 1 1 26 CYS N N 0.638 -2.330 -0.324 1.00 . A A . 70 CYS N 1 1 10 5497 1 1 26 CYS O O -1.847 -3.112 0.471 1.00 . A A . 70 CYS O 1 1 10 5498 1 1 26 CYS SG S 1.096 0.902 -0.134 1.00 . A A . 70 CYS SG 1 1 10 5499 1 1 27 PHE C C -4.530 -0.779 2.344 1.00 . A A . 71 PHE C 1 1 10 5500 1 1 27 PHE CA C -3.537 -1.938 2.235 1.00 . A A . 71 PHE CA 1 1 10 5501 1 1 27 PHE CB C -3.298 -2.575 3.605 1.00 . A A . 71 PHE CB 1 1 10 5502 1 1 27 PHE CD1 C -2.491 -4.737 2.593 1.00 . A A . 71 PHE CD1 1 1 10 5503 1 1 27 PHE CD2 C -1.105 -3.636 4.251 1.00 . A A . 71 PHE CD2 1 1 10 5504 1 1 27 PHE CE1 C -1.541 -5.759 2.478 1.00 . A A . 71 PHE CE1 1 1 10 5505 1 1 27 PHE CE2 C -0.156 -4.658 4.137 1.00 . A A . 71 PHE CE2 1 1 10 5506 1 1 27 PHE CG C -2.272 -3.676 3.479 1.00 . A A . 71 PHE CG 1 1 10 5507 1 1 27 PHE CZ C -0.374 -5.720 3.250 1.00 . A A . 71 PHE CZ 1 1 10 5508 1 1 27 PHE H H -1.891 -0.559 2.178 1.00 . A A . 71 PHE H 1 1 10 5509 1 1 27 PHE HA H -3.891 -2.679 1.535 1.00 . A A . 71 PHE HA 1 1 10 5510 1 1 27 PHE HB2 H -2.936 -1.822 4.293 1.00 . A A . 71 PHE HB2 1 1 10 5511 1 1 27 PHE HB3 H -4.225 -2.989 3.976 1.00 . A A . 71 PHE HB3 1 1 10 5512 1 1 27 PHE HD1 H -3.391 -4.767 1.997 1.00 . A A . 71 PHE HD1 1 1 10 5513 1 1 27 PHE HD2 H -0.937 -2.817 4.935 1.00 . A A . 71 PHE HD2 1 1 10 5514 1 1 27 PHE HE1 H -1.709 -6.577 1.794 1.00 . A A . 71 PHE HE1 1 1 10 5515 1 1 27 PHE HE2 H 0.745 -4.628 4.733 1.00 . A A . 71 PHE HE2 1 1 10 5516 1 1 27 PHE HZ H 0.358 -6.509 3.162 1.00 . A A . 71 PHE HZ 1 1 10 5517 1 1 27 PHE N N -2.211 -1.408 1.813 1.00 . A A . 71 PHE N 1 1 10 5518 1 1 27 PHE O O -4.506 0.143 1.554 1.00 . A A . 71 PHE O 1 1 10 5519 1 1 28 CYS C C -7.300 0.064 4.649 1.00 . A A . 72 CYS C 1 1 10 5520 1 1 28 CYS CA C -6.384 0.299 3.454 1.00 . A A . 72 CYS CA 1 1 10 5521 1 1 28 CYS CB C -7.197 0.253 2.169 1.00 . A A . 72 CYS CB 1 1 10 5522 1 1 28 CYS H H -5.415 -1.559 3.940 1.00 . A A . 72 CYS H 1 1 10 5523 1 1 28 CYS HA H -5.880 1.247 3.537 1.00 . A A . 72 CYS HA 1 1 10 5524 1 1 28 CYS HB2 H -6.898 -0.611 1.596 1.00 . A A . 72 CYS HB2 1 1 10 5525 1 1 28 CYS HB3 H -8.248 0.179 2.411 1.00 . A A . 72 CYS HB3 1 1 10 5526 1 1 28 CYS N N -5.403 -0.811 3.312 1.00 . A A . 72 CYS N 1 1 10 5527 1 1 28 CYS O O -6.982 -0.668 5.566 1.00 . A A . 72 CYS O 1 1 10 5528 1 1 28 CYS SG S -6.904 1.757 1.205 1.00 . A A . 72 CYS SG 1 1 10 5529 1 1 29 LEU C C -10.454 -0.540 5.332 1.00 . A A . 73 LEU C 1 1 10 5530 1 1 29 LEU CA C -9.414 0.510 5.742 1.00 . A A . 73 LEU CA 1 1 10 5531 1 1 29 LEU CB C -10.048 1.896 5.908 1.00 . A A . 73 LEU CB 1 1 10 5532 1 1 29 LEU CD1 C -9.545 4.332 5.595 1.00 . A A . 73 LEU CD1 1 1 10 5533 1 1 29 LEU CD2 C -8.353 3.028 7.361 1.00 . A A . 73 LEU CD2 1 1 10 5534 1 1 29 LEU CG C -8.948 2.967 5.950 1.00 . A A . 73 LEU CG 1 1 10 5535 1 1 29 LEU H H -8.672 1.258 3.872 1.00 . A A . 73 LEU H 1 1 10 5536 1 1 29 LEU HA H -8.908 0.216 6.649 1.00 . A A . 73 LEU HA 1 1 10 5537 1 1 29 LEU HB2 H -10.709 2.089 5.076 1.00 . A A . 73 LEU HB2 1 1 10 5538 1 1 29 LEU HB3 H -10.609 1.928 6.829 1.00 . A A . 73 LEU HB3 1 1 10 5539 1 1 29 LEU HD11 H -10.116 4.250 4.681 1.00 . A A . 73 LEU HD11 1 1 10 5540 1 1 29 LEU HD12 H -10.191 4.662 6.395 1.00 . A A . 73 LEU HD12 1 1 10 5541 1 1 29 LEU HD13 H -8.747 5.049 5.458 1.00 . A A . 73 LEU HD13 1 1 10 5542 1 1 29 LEU HD21 H -8.157 2.026 7.713 1.00 . A A . 73 LEU HD21 1 1 10 5543 1 1 29 LEU HD22 H -7.431 3.589 7.339 1.00 . A A . 73 LEU HD22 1 1 10 5544 1 1 29 LEU HD23 H -9.052 3.512 8.027 1.00 . A A . 73 LEU HD23 1 1 10 5545 1 1 29 LEU HG H -8.170 2.722 5.240 1.00 . A A . 73 LEU HG 1 1 10 5546 1 1 29 LEU N N -8.444 0.680 4.631 1.00 . A A . 73 LEU N 1 1 10 5547 1 1 29 LEU O O -10.322 -1.159 4.295 1.00 . A A . 73 LEU O 1 1 10 5548 1 1 30 PRO C C -13.253 -1.355 4.558 1.00 . A A . 74 PRO C 1 1 10 5549 1 1 30 PRO CA C -12.510 -1.717 5.852 1.00 . A A . 74 PRO CA 1 1 10 5550 1 1 30 PRO CB C -13.452 -1.640 7.054 1.00 . A A . 74 PRO CB 1 1 10 5551 1 1 30 PRO CD C -11.691 -0.032 7.424 1.00 . A A . 74 PRO CD 1 1 10 5552 1 1 30 PRO CG C -12.689 -0.915 8.120 1.00 . A A . 74 PRO CG 1 1 10 5553 1 1 30 PRO HA H -12.087 -2.705 5.780 1.00 . A A . 74 PRO HA 1 1 10 5554 1 1 30 PRO HB2 H -14.346 -1.088 6.792 1.00 . A A . 74 PRO HB2 1 1 10 5555 1 1 30 PRO HB3 H -13.708 -2.632 7.395 1.00 . A A . 74 PRO HB3 1 1 10 5556 1 1 30 PRO HD2 H -12.111 0.950 7.257 1.00 . A A . 74 PRO HD2 1 1 10 5557 1 1 30 PRO HD3 H -10.776 0.032 7.992 1.00 . A A . 74 PRO HD3 1 1 10 5558 1 1 30 PRO HG2 H -13.366 -0.316 8.713 1.00 . A A . 74 PRO HG2 1 1 10 5559 1 1 30 PRO HG3 H -12.172 -1.622 8.749 1.00 . A A . 74 PRO HG3 1 1 10 5560 1 1 30 PRO N N -11.452 -0.718 6.154 1.00 . A A . 74 PRO N 1 1 10 5561 1 1 30 PRO O O -14.069 -2.113 4.071 1.00 . A A . 74 PRO O 1 1 10 5562 1 1 31 ALA C C -12.938 -0.288 1.507 1.00 . A A . 75 ALA C 1 1 10 5563 1 1 31 ALA CA C -13.691 0.202 2.752 1.00 . A A . 75 ALA CA 1 1 10 5564 1 1 31 ALA CB C -13.713 1.730 2.794 1.00 . A A . 75 ALA CB 1 1 10 5565 1 1 31 ALA H H -12.337 0.399 4.416 1.00 . A A . 75 ALA H 1 1 10 5566 1 1 31 ALA HA H -14.701 -0.176 2.752 1.00 . A A . 75 ALA HA 1 1 10 5567 1 1 31 ALA HB1 H -12.818 2.090 3.280 1.00 . A A . 75 ALA HB1 1 1 10 5568 1 1 31 ALA HB2 H -13.755 2.117 1.787 1.00 . A A . 75 ALA HB2 1 1 10 5569 1 1 31 ALA HB3 H -14.580 2.063 3.344 1.00 . A A . 75 ALA HB3 1 1 10 5570 1 1 31 ALA N N -12.988 -0.204 4.005 1.00 . A A . 75 ALA N 1 1 10 5571 1 1 31 ALA O O -13.513 -0.419 0.445 1.00 . A A . 75 ALA O 1 1 10 5572 1 1 32 PHE C C -10.190 -2.348 0.717 1.00 . A A . 76 PHE C 1 1 10 5573 1 1 32 PHE CA C -10.903 -1.027 0.418 1.00 . A A . 76 PHE CA 1 1 10 5574 1 1 32 PHE CB C -9.875 0.071 0.110 1.00 . A A . 76 PHE CB 1 1 10 5575 1 1 32 PHE CD1 C -10.548 1.875 1.741 1.00 . A A . 76 PHE CD1 1 1 10 5576 1 1 32 PHE CD2 C -10.906 2.252 -0.629 1.00 . A A . 76 PHE CD2 1 1 10 5577 1 1 32 PHE CE1 C -11.088 3.136 2.022 1.00 . A A . 76 PHE CE1 1 1 10 5578 1 1 32 PHE CE2 C -11.444 3.513 -0.347 1.00 . A A . 76 PHE CE2 1 1 10 5579 1 1 32 PHE CG C -10.457 1.433 0.415 1.00 . A A . 76 PHE CG 1 1 10 5580 1 1 32 PHE CZ C -11.535 3.956 0.979 1.00 . A A . 76 PHE CZ 1 1 10 5581 1 1 32 PHE H H -11.207 -0.442 2.473 1.00 . A A . 76 PHE H 1 1 10 5582 1 1 32 PHE HA H -11.571 -1.145 -0.417 1.00 . A A . 76 PHE HA 1 1 10 5583 1 1 32 PHE HB2 H -8.989 -0.086 0.711 1.00 . A A . 76 PHE HB2 1 1 10 5584 1 1 32 PHE HB3 H -9.608 0.023 -0.937 1.00 . A A . 76 PHE HB3 1 1 10 5585 1 1 32 PHE HD1 H -10.202 1.244 2.546 1.00 . A A . 76 PHE HD1 1 1 10 5586 1 1 32 PHE HD2 H -10.835 1.912 -1.651 1.00 . A A . 76 PHE HD2 1 1 10 5587 1 1 32 PHE HE1 H -11.158 3.477 3.045 1.00 . A A . 76 PHE HE1 1 1 10 5588 1 1 32 PHE HE2 H -11.790 4.145 -1.152 1.00 . A A . 76 PHE HE2 1 1 10 5589 1 1 32 PHE HZ H -11.951 4.928 1.196 1.00 . A A . 76 PHE HZ 1 1 10 5590 1 1 32 PHE N N -11.663 -0.555 1.616 1.00 . A A . 76 PHE N 1 1 10 5591 1 1 32 PHE O O -10.269 -2.874 1.809 1.00 . A A . 76 PHE O 1 1 10 5592 1 1 33 GLU C C -8.134 -4.658 -1.329 1.00 . A A . 77 GLU C 1 1 10 5593 1 1 33 GLU CA C -8.771 -4.173 -0.023 1.00 . A A . 77 GLU CA 1 1 10 5594 1 1 33 GLU CB C -9.847 -5.155 0.445 1.00 . A A . 77 GLU CB 1 1 10 5595 1 1 33 GLU CD C -9.661 -7.353 1.617 1.00 . A A . 77 GLU CD 1 1 10 5596 1 1 33 GLU CG C -9.314 -6.585 0.341 1.00 . A A . 77 GLU CG 1 1 10 5597 1 1 33 GLU H H -9.441 -2.443 -1.122 1.00 . A A . 77 GLU H 1 1 10 5598 1 1 33 GLU HA H -8.021 -4.056 0.743 1.00 . A A . 77 GLU HA 1 1 10 5599 1 1 33 GLU HB2 H -10.108 -4.941 1.470 1.00 . A A . 77 GLU HB2 1 1 10 5600 1 1 33 GLU HB3 H -10.722 -5.053 -0.180 1.00 . A A . 77 GLU HB3 1 1 10 5601 1 1 33 GLU HG2 H -9.763 -7.077 -0.509 1.00 . A A . 77 GLU HG2 1 1 10 5602 1 1 33 GLU HG3 H -8.240 -6.562 0.218 1.00 . A A . 77 GLU HG3 1 1 10 5603 1 1 33 GLU N N -9.492 -2.886 -0.249 1.00 . A A . 77 GLU N 1 1 10 5604 1 1 33 GLU O O -8.810 -4.892 -2.311 1.00 . A A . 77 GLU O 1 1 10 5605 1 1 33 GLU OE1 O -9.130 -7.002 2.659 1.00 . A A . 77 GLU OE1 1 1 10 5606 1 1 33 GLU OE2 O -10.451 -8.279 1.532 1.00 . A A . 77 GLU OE2 1 1 10 5607 1 1 34 GLY C C -4.707 -4.809 -2.598 1.00 . A A . 78 GLY C 1 1 10 5608 1 1 34 GLY CA C -6.162 -5.285 -2.592 1.00 . A A . 78 GLY CA 1 1 10 5609 1 1 34 GLY H H -6.308 -4.620 -0.546 1.00 . A A . 78 GLY H 1 1 10 5610 1 1 34 GLY HA2 H -6.188 -6.364 -2.628 1.00 . A A . 78 GLY HA2 1 1 10 5611 1 1 34 GLY HA3 H -6.671 -4.881 -3.453 1.00 . A A . 78 GLY HA3 1 1 10 5612 1 1 34 GLY N N -6.837 -4.813 -1.348 1.00 . A A . 78 GLY N 1 1 10 5613 1 1 34 GLY O O -4.277 -4.081 -1.726 1.00 . A A . 78 GLY O 1 1 10 5614 1 1 35 ARG C C -2.400 -3.297 -3.301 1.00 . A A . 79 ARG C 1 1 10 5615 1 1 35 ARG CA C -2.516 -4.785 -3.642 1.00 . A A . 79 ARG CA 1 1 10 5616 1 1 35 ARG CB C -2.089 -5.039 -5.088 1.00 . A A . 79 ARG CB 1 1 10 5617 1 1 35 ARG CD C -1.534 -6.802 -6.769 1.00 . A A . 79 ARG CD 1 1 10 5618 1 1 35 ARG CG C -1.861 -6.537 -5.298 1.00 . A A . 79 ARG CG 1 1 10 5619 1 1 35 ARG CZ C -2.905 -6.191 -8.669 1.00 . A A . 79 ARG CZ 1 1 10 5620 1 1 35 ARG H H -4.310 -5.801 -4.273 1.00 . A A . 79 ARG H 1 1 10 5621 1 1 35 ARG HA H -1.914 -5.375 -2.970 1.00 . A A . 79 ARG HA 1 1 10 5622 1 1 35 ARG HB2 H -2.864 -4.694 -5.758 1.00 . A A . 79 ARG HB2 1 1 10 5623 1 1 35 ARG HB3 H -1.173 -4.504 -5.292 1.00 . A A . 79 ARG HB3 1 1 10 5624 1 1 35 ARG HD2 H -0.850 -6.052 -7.143 1.00 . A A . 79 ARG HD2 1 1 10 5625 1 1 35 ARG HD3 H -1.115 -7.789 -6.890 1.00 . A A . 79 ARG HD3 1 1 10 5626 1 1 35 ARG HE H -3.656 -7.047 -7.043 1.00 . A A . 79 ARG HE 1 1 10 5627 1 1 35 ARG HG2 H -1.037 -6.865 -4.681 1.00 . A A . 79 ARG HG2 1 1 10 5628 1 1 35 ARG HG3 H -2.754 -7.079 -5.026 1.00 . A A . 79 ARG HG3 1 1 10 5629 1 1 35 ARG HH11 H -1.762 -7.601 -9.513 1.00 . A A . 79 ARG HH11 1 1 10 5630 1 1 35 ARG HH12 H -2.333 -6.363 -10.580 1.00 . A A . 79 ARG HH12 1 1 10 5631 1 1 35 ARG HH21 H -4.064 -4.659 -8.106 1.00 . A A . 79 ARG HH21 1 1 10 5632 1 1 35 ARG HH22 H -3.636 -4.697 -9.785 1.00 . A A . 79 ARG HH22 1 1 10 5633 1 1 35 ARG N N -3.944 -5.215 -3.579 1.00 . A A . 79 ARG N 1 1 10 5634 1 1 35 ARG NE N -2.842 -6.713 -7.476 1.00 . A A . 79 ARG NE 1 1 10 5635 1 1 35 ARG NH1 N -2.285 -6.763 -9.665 1.00 . A A . 79 ARG NH1 1 1 10 5636 1 1 35 ARG NH2 N -3.588 -5.097 -8.869 1.00 . A A . 79 ARG NH2 1 1 10 5637 1 1 35 ARG O O -1.696 -2.913 -2.388 1.00 . A A . 79 ARG O 1 1 10 5638 1 1 36 ASN C C -4.353 -0.538 -3.130 1.00 . A A . 80 ASN C 1 1 10 5639 1 1 36 ASN CA C -3.029 -0.998 -3.736 1.00 . A A . 80 ASN CA 1 1 10 5640 1 1 36 ASN CB C -2.796 -0.332 -5.092 1.00 . A A . 80 ASN CB 1 1 10 5641 1 1 36 ASN CG C -1.405 -0.702 -5.611 1.00 . A A . 80 ASN CG 1 1 10 5642 1 1 36 ASN H H -3.660 -2.791 -4.750 1.00 . A A . 80 ASN H 1 1 10 5643 1 1 36 ASN HA H -2.211 -0.775 -3.067 1.00 . A A . 80 ASN HA 1 1 10 5644 1 1 36 ASN HB2 H -3.545 -0.670 -5.792 1.00 . A A . 80 ASN HB2 1 1 10 5645 1 1 36 ASN HB3 H -2.862 0.740 -4.982 1.00 . A A . 80 ASN HB3 1 1 10 5646 1 1 36 ASN HD21 H -0.473 0.643 -4.482 1.00 . A A . 80 ASN HD21 1 1 10 5647 1 1 36 ASN HD22 H 0.537 -0.298 -5.482 1.00 . A A . 80 ASN HD22 1 1 10 5648 1 1 36 ASN N N -3.092 -2.459 -4.022 1.00 . A A . 80 ASN N 1 1 10 5649 1 1 36 ASN ND2 N -0.361 -0.067 -5.154 1.00 . A A . 80 ASN ND2 1 1 10 5650 1 1 36 ASN O O -4.616 0.643 -3.010 1.00 . A A . 80 ASN O 1 1 10 5651 1 1 36 ASN OD1 O -1.267 -1.580 -6.440 1.00 . A A . 80 ASN OD1 1 1 10 5652 1 1 37 CYS C C -7.362 -0.349 -3.178 1.00 . A A . 81 CYS C 1 1 10 5653 1 1 37 CYS CA C -6.500 -1.092 -2.143 1.00 . A A . 81 CYS CA 1 1 10 5654 1 1 37 CYS CB C -6.116 -0.225 -0.924 1.00 . A A . 81 CYS CB 1 1 10 5655 1 1 37 CYS H H -4.953 -2.411 -2.852 1.00 . A A . 81 CYS H 1 1 10 5656 1 1 37 CYS HA H -7.015 -1.979 -1.807 1.00 . A A . 81 CYS HA 1 1 10 5657 1 1 37 CYS HB2 H -6.156 -0.836 -0.040 1.00 . A A . 81 CYS HB2 1 1 10 5658 1 1 37 CYS HB3 H -5.107 0.139 -1.049 1.00 . A A . 81 CYS HB3 1 1 10 5659 1 1 37 CYS N N -5.190 -1.466 -2.745 1.00 . A A . 81 CYS N 1 1 10 5660 1 1 37 CYS O O -8.426 0.152 -2.878 1.00 . A A . 81 CYS O 1 1 10 5661 1 1 37 CYS SG S -7.234 1.184 -0.703 1.00 . A A . 81 CYS SG 1 1 10 5662 1 1 38 GLU C C -9.126 -0.231 -5.526 1.00 . A A . 82 GLU C 1 1 10 5663 1 1 38 GLU CA C -7.725 0.383 -5.457 1.00 . A A . 82 GLU CA 1 1 10 5664 1 1 38 GLU CB C -6.960 0.139 -6.760 1.00 . A A . 82 GLU CB 1 1 10 5665 1 1 38 GLU CD C -7.160 -0.006 -9.247 1.00 . A A . 82 GLU CD 1 1 10 5666 1 1 38 GLU CG C -7.888 0.370 -7.955 1.00 . A A . 82 GLU CG 1 1 10 5667 1 1 38 GLU H H -6.076 -0.732 -4.643 1.00 . A A . 82 GLU H 1 1 10 5668 1 1 38 GLU HA H -7.785 1.441 -5.256 1.00 . A A . 82 GLU HA 1 1 10 5669 1 1 38 GLU HB2 H -6.121 0.819 -6.818 1.00 . A A . 82 GLU HB2 1 1 10 5670 1 1 38 GLU HB3 H -6.599 -0.880 -6.779 1.00 . A A . 82 GLU HB3 1 1 10 5671 1 1 38 GLU HG2 H -8.771 -0.242 -7.845 1.00 . A A . 82 GLU HG2 1 1 10 5672 1 1 38 GLU HG3 H -8.172 1.411 -7.993 1.00 . A A . 82 GLU HG3 1 1 10 5673 1 1 38 GLU N N -6.922 -0.303 -4.407 1.00 . A A . 82 GLU N 1 1 10 5674 1 1 38 GLU O O -10.040 0.341 -6.085 1.00 . A A . 82 GLU O 1 1 10 5675 1 1 38 GLU OE1 O -6.278 -0.845 -9.184 1.00 . A A . 82 GLU OE1 1 1 10 5676 1 1 38 GLU OE2 O -7.499 0.553 -10.277 1.00 . A A . 82 GLU OE2 1 1 10 5677 1 1 39 THR C C -11.549 -1.442 -3.922 1.00 . A A . 83 THR C 1 1 10 5678 1 1 39 THR CA C -10.642 -2.048 -4.995 1.00 . A A . 83 THR CA 1 1 10 5679 1 1 39 THR CB C -10.373 -3.524 -4.699 1.00 . A A . 83 THR CB 1 1 10 5680 1 1 39 THR CG2 C -11.686 -4.223 -4.345 1.00 . A A . 83 THR CG2 1 1 10 5681 1 1 39 THR H H -8.550 -1.844 -4.516 1.00 . A A . 83 THR H 1 1 10 5682 1 1 39 THR HA H -11.089 -1.942 -5.972 1.00 . A A . 83 THR HA 1 1 10 5683 1 1 39 THR HB H -9.691 -3.606 -3.867 1.00 . A A . 83 THR HB 1 1 10 5684 1 1 39 THR HG1 H -10.234 -3.777 -6.623 1.00 . A A . 83 THR HG1 1 1 10 5685 1 1 39 THR HG21 H -12.515 -3.656 -4.742 1.00 . A A . 83 THR HG21 1 1 10 5686 1 1 39 THR HG22 H -11.693 -5.215 -4.770 1.00 . A A . 83 THR HG22 1 1 10 5687 1 1 39 THR HG23 H -11.780 -4.290 -3.271 1.00 . A A . 83 THR HG23 1 1 10 5688 1 1 39 THR N N -9.300 -1.396 -4.962 1.00 . A A . 83 THR N 1 1 10 5689 1 1 39 THR O O -11.800 -2.042 -2.896 1.00 . A A . 83 THR O 1 1 10 5690 1 1 39 THR OG1 O -9.801 -4.138 -5.846 1.00 . A A . 83 THR OG1 1 1 10 5691 1 1 40 HIS C C -14.186 -0.458 -2.923 1.00 . A A . 84 HIS C 1 1 10 5692 1 1 40 HIS CA C -12.932 0.390 -3.143 1.00 . A A . 84 HIS CA 1 1 10 5693 1 1 40 HIS CB C -13.300 1.745 -3.748 1.00 . A A . 84 HIS CB 1 1 10 5694 1 1 40 HIS CD2 C -14.580 2.385 -1.545 1.00 . A A . 84 HIS CD2 1 1 10 5695 1 1 40 HIS CE1 C -16.109 3.644 -2.424 1.00 . A A . 84 HIS CE1 1 1 10 5696 1 1 40 HIS CG C -14.350 2.405 -2.899 1.00 . A A . 84 HIS CG 1 1 10 5697 1 1 40 HIS H H -11.826 0.213 -4.984 1.00 . A A . 84 HIS H 1 1 10 5698 1 1 40 HIS HA H -12.405 0.534 -2.212 1.00 . A A . 84 HIS HA 1 1 10 5699 1 1 40 HIS HB2 H -12.420 2.372 -3.787 1.00 . A A . 84 HIS HB2 1 1 10 5700 1 1 40 HIS HB3 H -13.684 1.600 -4.746 1.00 . A A . 84 HIS HB3 1 1 10 5701 1 1 40 HIS HD1 H -15.450 3.434 -4.387 1.00 . A A . 84 HIS HD1 1 1 10 5702 1 1 40 HIS HD2 H -13.989 1.843 -0.822 1.00 . A A . 84 HIS HD2 1 1 10 5703 1 1 40 HIS HE1 H -16.962 4.296 -2.547 1.00 . A A . 84 HIS HE1 1 1 10 5704 1 1 40 HIS N N -12.042 -0.255 -4.150 1.00 . A A . 84 HIS N 1 1 10 5705 1 1 40 HIS ND1 N -15.336 3.214 -3.439 1.00 . A A . 84 HIS ND1 1 1 10 5706 1 1 40 HIS NE2 N -15.692 3.168 -1.248 1.00 . A A . 84 HIS NE2 1 1 10 5707 1 1 40 HIS O O -15.167 -0.327 -3.628 1.00 . A A . 84 HIS O 1 1 10 5708 1 1 41 LYS C C -16.636 -1.358 -1.787 1.00 . A A . 85 LYS C 1 1 10 5709 1 1 41 LYS CA C -15.352 -2.187 -1.684 1.00 . A A . 85 LYS CA 1 1 10 5710 1 1 41 LYS CB C -15.159 -2.700 -0.256 1.00 . A A . 85 LYS CB 1 1 10 5711 1 1 41 LYS CD C -13.314 -3.515 1.218 1.00 . A A . 85 LYS CD 1 1 10 5712 1 1 41 LYS CE C -13.645 -4.809 1.965 1.00 . A A . 85 LYS CE 1 1 10 5713 1 1 41 LYS CG C -13.906 -3.575 -0.192 1.00 . A A . 85 LYS CG 1 1 10 5714 1 1 41 LYS H H -13.360 -1.418 -1.394 1.00 . A A . 85 LYS H 1 1 10 5715 1 1 41 LYS HA H -15.382 -3.016 -2.373 1.00 . A A . 85 LYS HA 1 1 10 5716 1 1 41 LYS HB2 H -15.048 -1.859 0.416 1.00 . A A . 85 LYS HB2 1 1 10 5717 1 1 41 LYS HB3 H -16.019 -3.285 0.036 1.00 . A A . 85 LYS HB3 1 1 10 5718 1 1 41 LYS HD2 H -12.242 -3.399 1.153 1.00 . A A . 85 LYS HD2 1 1 10 5719 1 1 41 LYS HD3 H -13.736 -2.676 1.750 1.00 . A A . 85 LYS HD3 1 1 10 5720 1 1 41 LYS HE2 H -14.137 -5.508 1.303 1.00 . A A . 85 LYS HE2 1 1 10 5721 1 1 41 LYS HE3 H -12.748 -5.246 2.376 1.00 . A A . 85 LYS HE3 1 1 10 5722 1 1 41 LYS HG2 H -14.167 -4.595 -0.432 1.00 . A A . 85 LYS HG2 1 1 10 5723 1 1 41 LYS HG3 H -13.176 -3.213 -0.902 1.00 . A A . 85 LYS HG3 1 1 10 5724 1 1 41 LYS HZ1 H -15.054 -3.521 2.793 1.00 . A A . 85 LYS HZ1 1 1 10 5725 1 1 41 LYS HZ2 H -15.260 -5.146 3.233 1.00 . A A . 85 LYS HZ2 1 1 10 5726 1 1 41 LYS HZ3 H -14.011 -4.229 3.930 1.00 . A A . 85 LYS HZ3 1 1 10 5727 1 1 41 LYS N N -14.161 -1.329 -1.951 1.00 . A A . 85 LYS N 1 1 10 5728 1 1 41 LYS NZ N -14.562 -4.395 3.063 1.00 . A A . 85 LYS NZ 1 1 10 5729 1 1 41 LYS O O -16.591 -0.187 -1.445 1.00 . A A . 85 LYS O 1 1 10 5730 1 1 41 LYS OXT O -17.641 -1.909 -2.204 1.00 . A A . 85 LYS OXT 1 1 11 5731 1 1 1 SER C C 11.654 4.751 -9.619 1.00 . A A . 45 SER C 1 1 11 5732 1 1 1 SER CA C 11.386 4.115 -10.985 1.00 . A A . 45 SER CA 1 1 11 5733 1 1 1 SER CB C 10.324 3.022 -10.868 1.00 . A A . 45 SER CB 1 1 11 5734 1 1 1 SER H1 H 13.085 2.947 -10.679 1.00 . A A . 45 SER H1 1 1 11 5735 1 1 1 SER H2 H 12.337 2.700 -12.185 1.00 . A A . 45 SER H2 1 1 11 5736 1 1 1 SER H3 H 13.254 4.103 -11.908 1.00 . A A . 45 SER H3 1 1 11 5737 1 1 1 SER HA H 11.070 4.862 -11.695 1.00 . A A . 45 SER HA 1 1 11 5738 1 1 1 SER HB2 H 10.529 2.241 -11.582 1.00 . A A . 45 SER HB2 1 1 11 5739 1 1 1 SER HB3 H 10.343 2.609 -9.869 1.00 . A A . 45 SER HB3 1 1 11 5740 1 1 1 SER HG H 8.434 2.858 -11.301 1.00 . A A . 45 SER HG 1 1 11 5741 1 1 1 SER N N 12.608 3.414 -11.476 1.00 . A A . 45 SER N 1 1 11 5742 1 1 1 SER O O 11.490 4.126 -8.589 1.00 . A A . 45 SER O 1 1 11 5743 1 1 1 SER OG O 9.045 3.580 -11.140 1.00 . A A . 45 SER OG 1 1 11 5744 1 1 2 ASP C C 11.244 6.333 -7.288 1.00 . A A . 46 ASP C 1 1 11 5745 1 1 2 ASP CA C 12.344 6.664 -8.300 1.00 . A A . 46 ASP CA 1 1 11 5746 1 1 2 ASP CB C 12.345 8.159 -8.622 1.00 . A A . 46 ASP CB 1 1 11 5747 1 1 2 ASP CG C 13.303 8.430 -9.782 1.00 . A A . 46 ASP CG 1 1 11 5748 1 1 2 ASP H H 12.192 6.476 -10.442 1.00 . A A . 46 ASP H 1 1 11 5749 1 1 2 ASP HA H 13.308 6.368 -7.919 1.00 . A A . 46 ASP HA 1 1 11 5750 1 1 2 ASP HB2 H 11.348 8.467 -8.897 1.00 . A A . 46 ASP HB2 1 1 11 5751 1 1 2 ASP HB3 H 12.668 8.713 -7.754 1.00 . A A . 46 ASP HB3 1 1 11 5752 1 1 2 ASP N N 12.066 5.989 -9.601 1.00 . A A . 46 ASP N 1 1 11 5753 1 1 2 ASP O O 10.069 6.464 -7.569 1.00 . A A . 46 ASP O 1 1 11 5754 1 1 2 ASP OD1 O 14.420 7.941 -9.730 1.00 . A A . 46 ASP OD1 1 1 11 5755 1 1 2 ASP OD2 O 12.905 9.123 -10.704 1.00 . A A . 46 ASP OD2 1 1 11 5756 1 1 3 GLY C C 10.633 4.062 -4.802 1.00 . A A . 47 GLY C 1 1 11 5757 1 1 3 GLY CA C 10.588 5.564 -5.087 1.00 . A A . 47 GLY CA 1 1 11 5758 1 1 3 GLY H H 12.566 5.803 -5.904 1.00 . A A . 47 GLY H 1 1 11 5759 1 1 3 GLY HA2 H 10.794 6.111 -4.177 1.00 . A A . 47 GLY HA2 1 1 11 5760 1 1 3 GLY HA3 H 9.608 5.828 -5.454 1.00 . A A . 47 GLY HA3 1 1 11 5761 1 1 3 GLY N N 11.614 5.903 -6.113 1.00 . A A . 47 GLY N 1 1 11 5762 1 1 3 GLY O O 9.920 3.284 -5.404 1.00 . A A . 47 GLY O 1 1 11 5763 1 1 4 ASP C C 10.157 1.579 -3.493 1.00 . A A . 48 ASP C 1 1 11 5764 1 1 4 ASP CA C 11.559 2.195 -3.566 1.00 . A A . 48 ASP CA 1 1 11 5765 1 1 4 ASP CB C 12.251 2.135 -2.205 1.00 . A A . 48 ASP CB 1 1 11 5766 1 1 4 ASP CG C 13.745 1.868 -2.403 1.00 . A A . 48 ASP CG 1 1 11 5767 1 1 4 ASP H H 12.034 4.290 -3.414 1.00 . A A . 48 ASP H 1 1 11 5768 1 1 4 ASP HA H 12.156 1.683 -4.305 1.00 . A A . 48 ASP HA 1 1 11 5769 1 1 4 ASP HB2 H 12.119 3.077 -1.693 1.00 . A A . 48 ASP HB2 1 1 11 5770 1 1 4 ASP HB3 H 11.821 1.340 -1.615 1.00 . A A . 48 ASP HB3 1 1 11 5771 1 1 4 ASP N N 11.467 3.648 -3.888 1.00 . A A . 48 ASP N 1 1 11 5772 1 1 4 ASP O O 9.603 1.160 -4.490 1.00 . A A . 48 ASP O 1 1 11 5773 1 1 4 ASP OD1 O 14.196 1.950 -3.533 1.00 . A A . 48 ASP OD1 1 1 11 5774 1 1 4 ASP OD2 O 14.412 1.586 -1.420 1.00 . A A . 48 ASP OD2 1 1 11 5775 1 1 5 GLN C C 7.312 1.848 -1.366 1.00 . A A . 49 GLN C 1 1 11 5776 1 1 5 GLN CA C 8.212 0.933 -2.201 1.00 . A A . 49 GLN CA 1 1 11 5777 1 1 5 GLN CB C 8.401 -0.413 -1.497 1.00 . A A . 49 GLN CB 1 1 11 5778 1 1 5 GLN CD C 9.674 -1.204 -3.493 1.00 . A A . 49 GLN CD 1 1 11 5779 1 1 5 GLN CG C 9.694 -1.083 -1.971 1.00 . A A . 49 GLN CG 1 1 11 5780 1 1 5 GLN H H 10.035 1.867 -1.530 1.00 . A A . 49 GLN H 1 1 11 5781 1 1 5 GLN HA H 7.783 0.777 -3.173 1.00 . A A . 49 GLN HA 1 1 11 5782 1 1 5 GLN HB2 H 8.449 -0.253 -0.439 1.00 . A A . 49 GLN HB2 1 1 11 5783 1 1 5 GLN HB3 H 7.563 -1.056 -1.726 1.00 . A A . 49 GLN HB3 1 1 11 5784 1 1 5 GLN HE21 H 7.698 -1.021 -3.618 1.00 . A A . 49 GLN HE21 1 1 11 5785 1 1 5 GLN HE22 H 8.511 -1.214 -5.099 1.00 . A A . 49 GLN HE22 1 1 11 5786 1 1 5 GLN HG2 H 10.541 -0.485 -1.667 1.00 . A A . 49 GLN HG2 1 1 11 5787 1 1 5 GLN HG3 H 9.771 -2.066 -1.534 1.00 . A A . 49 GLN HG3 1 1 11 5788 1 1 5 GLN N N 9.577 1.522 -2.324 1.00 . A A . 49 GLN N 1 1 11 5789 1 1 5 GLN NE2 N 8.534 -1.142 -4.122 1.00 . A A . 49 GLN NE2 1 1 11 5790 1 1 5 GLN O O 6.368 2.428 -1.864 1.00 . A A . 49 GLN O 1 1 11 5791 1 1 5 GLN OE1 O 10.705 -1.355 -4.117 1.00 . A A . 49 GLN OE1 1 1 11 5792 1 1 6 CYS C C 7.142 4.329 0.562 1.00 . A A . 50 CYS C 1 1 11 5793 1 1 6 CYS CA C 6.755 2.862 0.765 1.00 . A A . 50 CYS CA 1 1 11 5794 1 1 6 CYS CB C 7.062 2.423 2.198 1.00 . A A . 50 CYS CB 1 1 11 5795 1 1 6 CYS H H 8.363 1.506 0.284 1.00 . A A . 50 CYS H 1 1 11 5796 1 1 6 CYS HA H 5.709 2.712 0.550 1.00 . A A . 50 CYS HA 1 1 11 5797 1 1 6 CYS HB2 H 7.996 1.880 2.215 1.00 . A A . 50 CYS HB2 1 1 11 5798 1 1 6 CYS HB3 H 7.140 3.294 2.832 1.00 . A A . 50 CYS HB3 1 1 11 5799 1 1 6 CYS N N 7.598 1.983 -0.099 1.00 . A A . 50 CYS N 1 1 11 5800 1 1 6 CYS O O 6.543 5.223 1.127 1.00 . A A . 50 CYS O 1 1 11 5801 1 1 6 CYS SG S 5.733 1.353 2.803 1.00 . A A . 50 CYS SG 1 1 11 5802 1 1 7 ALA C C 7.392 6.807 -1.043 1.00 . A A . 51 ALA C 1 1 11 5803 1 1 7 ALA CA C 8.561 5.994 -0.481 1.00 . A A . 51 ALA CA 1 1 11 5804 1 1 7 ALA CB C 9.692 5.900 -1.506 1.00 . A A . 51 ALA CB 1 1 11 5805 1 1 7 ALA H H 8.608 3.849 -0.689 1.00 . A A . 51 ALA H 1 1 11 5806 1 1 7 ALA HA H 8.926 6.437 0.431 1.00 . A A . 51 ALA HA 1 1 11 5807 1 1 7 ALA HB1 H 9.472 5.113 -2.212 1.00 . A A . 51 ALA HB1 1 1 11 5808 1 1 7 ALA HB2 H 9.781 6.840 -2.030 1.00 . A A . 51 ALA HB2 1 1 11 5809 1 1 7 ALA HB3 H 10.620 5.680 -0.999 1.00 . A A . 51 ALA HB3 1 1 11 5810 1 1 7 ALA N N 8.138 4.583 -0.242 1.00 . A A . 51 ALA N 1 1 11 5811 1 1 7 ALA O O 7.134 7.916 -0.618 1.00 . A A . 51 ALA O 1 1 11 5812 1 1 8 SER C C 4.230 6.603 -1.884 1.00 . A A . 52 SER C 1 1 11 5813 1 1 8 SER CA C 5.532 7.007 -2.583 1.00 . A A . 52 SER CA 1 1 11 5814 1 1 8 SER CB C 5.502 6.593 -4.053 1.00 . A A . 52 SER CB 1 1 11 5815 1 1 8 SER H H 6.908 5.369 -2.323 1.00 . A A . 52 SER H 1 1 11 5816 1 1 8 SER HA H 5.688 8.071 -2.503 1.00 . A A . 52 SER HA 1 1 11 5817 1 1 8 SER HB2 H 6.479 6.725 -4.486 1.00 . A A . 52 SER HB2 1 1 11 5818 1 1 8 SER HB3 H 5.217 5.551 -4.126 1.00 . A A . 52 SER HB3 1 1 11 5819 1 1 8 SER HG H 4.491 8.239 -4.283 1.00 . A A . 52 SER HG 1 1 11 5820 1 1 8 SER N N 6.683 6.265 -1.995 1.00 . A A . 52 SER N 1 1 11 5821 1 1 8 SER O O 3.177 7.144 -2.151 1.00 . A A . 52 SER O 1 1 11 5822 1 1 8 SER OG O 4.566 7.403 -4.750 1.00 . A A . 52 SER OG 1 1 11 5823 1 1 9 SER C C 2.097 4.540 -1.248 1.00 . A A . 53 SER C 1 1 11 5824 1 1 9 SER CA C 3.065 5.215 -0.273 1.00 . A A . 53 SER CA 1 1 11 5825 1 1 9 SER CB C 2.455 6.497 0.289 1.00 . A A . 53 SER CB 1 1 11 5826 1 1 9 SER H H 5.158 5.231 -0.789 1.00 . A A . 53 SER H 1 1 11 5827 1 1 9 SER HA H 3.318 4.543 0.533 1.00 . A A . 53 SER HA 1 1 11 5828 1 1 9 SER HB2 H 3.229 7.231 0.441 1.00 . A A . 53 SER HB2 1 1 11 5829 1 1 9 SER HB3 H 1.727 6.885 -0.411 1.00 . A A . 53 SER HB3 1 1 11 5830 1 1 9 SER HG H 2.457 5.734 2.079 1.00 . A A . 53 SER HG 1 1 11 5831 1 1 9 SER N N 4.298 5.654 -0.990 1.00 . A A . 53 SER N 1 1 11 5832 1 1 9 SER O O 1.183 5.167 -1.749 1.00 . A A . 53 SER O 1 1 11 5833 1 1 9 SER OG O 1.829 6.214 1.534 1.00 . A A . 53 SER OG 1 1 11 5834 1 1 10 PRO C C 0.018 2.511 -1.908 1.00 . A A . 54 PRO C 1 1 11 5835 1 1 10 PRO CA C 1.466 2.500 -2.402 1.00 . A A . 54 PRO CA 1 1 11 5836 1 1 10 PRO CB C 2.046 1.083 -2.357 1.00 . A A . 54 PRO CB 1 1 11 5837 1 1 10 PRO CD C 3.404 2.465 -0.910 1.00 . A A . 54 PRO CD 1 1 11 5838 1 1 10 PRO CG C 2.958 1.053 -1.169 1.00 . A A . 54 PRO CG 1 1 11 5839 1 1 10 PRO HA H 1.529 2.893 -3.405 1.00 . A A . 54 PRO HA 1 1 11 5840 1 1 10 PRO HB2 H 1.250 0.359 -2.239 1.00 . A A . 54 PRO HB2 1 1 11 5841 1 1 10 PRO HB3 H 2.607 0.880 -3.258 1.00 . A A . 54 PRO HB3 1 1 11 5842 1 1 10 PRO HD2 H 3.498 2.645 0.151 1.00 . A A . 54 PRO HD2 1 1 11 5843 1 1 10 PRO HD3 H 4.333 2.670 -1.417 1.00 . A A . 54 PRO HD3 1 1 11 5844 1 1 10 PRO HG2 H 2.427 0.668 -0.310 1.00 . A A . 54 PRO HG2 1 1 11 5845 1 1 10 PRO HG3 H 3.817 0.434 -1.380 1.00 . A A . 54 PRO HG3 1 1 11 5846 1 1 10 PRO N N 2.330 3.278 -1.480 1.00 . A A . 54 PRO N 1 1 11 5847 1 1 10 PRO O O -0.869 3.007 -2.571 1.00 . A A . 54 PRO O 1 1 11 5848 1 1 11 CYS C C -2.301 3.296 -0.459 1.00 . A A . 55 CYS C 1 1 11 5849 1 1 11 CYS CA C -1.617 1.949 -0.205 1.00 . A A . 55 CYS CA 1 1 11 5850 1 1 11 CYS CB C -1.448 1.706 1.295 1.00 . A A . 55 CYS CB 1 1 11 5851 1 1 11 CYS H H 0.505 1.574 -0.226 1.00 . A A . 55 CYS H 1 1 11 5852 1 1 11 CYS HA H -2.184 1.145 -0.647 1.00 . A A . 55 CYS HA 1 1 11 5853 1 1 11 CYS HB2 H -0.497 1.228 1.478 1.00 . A A . 55 CYS HB2 1 1 11 5854 1 1 11 CYS HB3 H -1.485 2.653 1.817 1.00 . A A . 55 CYS HB3 1 1 11 5855 1 1 11 CYS N N -0.227 1.967 -0.746 1.00 . A A . 55 CYS N 1 1 11 5856 1 1 11 CYS O O -1.652 4.299 -0.681 1.00 . A A . 55 CYS O 1 1 11 5857 1 1 11 CYS SG S -2.783 0.642 1.895 1.00 . A A . 55 CYS SG 1 1 11 5858 1 1 12 GLN C C -5.583 4.702 0.187 1.00 . A A . 56 GLN C 1 1 11 5859 1 1 12 GLN CA C -4.323 4.614 -0.674 1.00 . A A . 56 GLN CA 1 1 11 5860 1 1 12 GLN CB C -4.699 4.585 -2.153 1.00 . A A . 56 GLN CB 1 1 11 5861 1 1 12 GLN CD C -3.796 4.419 -4.475 1.00 . A A . 56 GLN CD 1 1 11 5862 1 1 12 GLN CG C -3.428 4.523 -2.993 1.00 . A A . 56 GLN CG 1 1 11 5863 1 1 12 GLN H H -4.114 2.514 -0.252 1.00 . A A . 56 GLN H 1 1 11 5864 1 1 12 GLN HA H -3.674 5.448 -0.477 1.00 . A A . 56 GLN HA 1 1 11 5865 1 1 12 GLN HB2 H -5.309 3.715 -2.354 1.00 . A A . 56 GLN HB2 1 1 11 5866 1 1 12 GLN HB3 H -5.251 5.478 -2.404 1.00 . A A . 56 GLN HB3 1 1 11 5867 1 1 12 GLN HE21 H -5.241 5.779 -4.354 1.00 . A A . 56 GLN HE21 1 1 11 5868 1 1 12 GLN HE22 H -5.003 5.100 -5.900 1.00 . A A . 56 GLN HE22 1 1 11 5869 1 1 12 GLN HG2 H -2.846 5.418 -2.826 1.00 . A A . 56 GLN HG2 1 1 11 5870 1 1 12 GLN HG3 H -2.852 3.658 -2.705 1.00 . A A . 56 GLN HG3 1 1 11 5871 1 1 12 GLN N N -3.607 3.330 -0.430 1.00 . A A . 56 GLN N 1 1 11 5872 1 1 12 GLN NE2 N -4.760 5.160 -4.948 1.00 . A A . 56 GLN NE2 1 1 11 5873 1 1 12 GLN O O -5.899 3.806 0.943 1.00 . A A . 56 GLN O 1 1 11 5874 1 1 12 GLN OE1 O -3.201 3.655 -5.209 1.00 . A A . 56 GLN OE1 1 1 11 5875 1 1 13 ASN C C -7.281 5.648 2.348 1.00 . A A . 57 ASN C 1 1 11 5876 1 1 13 ASN CA C -7.553 5.939 0.869 1.00 . A A . 57 ASN CA 1 1 11 5877 1 1 13 ASN CB C -8.528 4.914 0.291 1.00 . A A . 57 ASN CB 1 1 11 5878 1 1 13 ASN CG C -8.589 5.067 -1.229 1.00 . A A . 57 ASN CG 1 1 11 5879 1 1 13 ASN H H -6.029 6.484 -0.555 1.00 . A A . 57 ASN H 1 1 11 5880 1 1 13 ASN HA H -7.952 6.934 0.749 1.00 . A A . 57 ASN HA 1 1 11 5881 1 1 13 ASN HB2 H -8.193 3.918 0.540 1.00 . A A . 57 ASN HB2 1 1 11 5882 1 1 13 ASN HB3 H -9.511 5.078 0.707 1.00 . A A . 57 ASN HB3 1 1 11 5883 1 1 13 ASN HD21 H -7.454 3.472 -1.575 1.00 . A A . 57 ASN HD21 1 1 11 5884 1 1 13 ASN HD22 H -7.994 4.300 -2.965 1.00 . A A . 57 ASN HD22 1 1 11 5885 1 1 13 ASN N N -6.306 5.779 0.067 1.00 . A A . 57 ASN N 1 1 11 5886 1 1 13 ASN ND2 N -7.960 4.209 -1.985 1.00 . A A . 57 ASN ND2 1 1 11 5887 1 1 13 ASN O O -7.839 4.734 2.923 1.00 . A A . 57 ASN O 1 1 11 5888 1 1 13 ASN OD1 O -9.215 5.978 -1.735 1.00 . A A . 57 ASN OD1 1 1 11 5889 1 1 14 GLY C C -5.497 4.810 4.594 1.00 . A A . 58 GLY C 1 1 11 5890 1 1 14 GLY CA C -6.129 6.191 4.409 1.00 . A A . 58 GLY CA 1 1 11 5891 1 1 14 GLY H H -5.995 7.153 2.486 1.00 . A A . 58 GLY H 1 1 11 5892 1 1 14 GLY HA2 H -5.443 6.951 4.756 1.00 . A A . 58 GLY HA2 1 1 11 5893 1 1 14 GLY HA3 H -7.044 6.243 4.981 1.00 . A A . 58 GLY HA3 1 1 11 5894 1 1 14 GLY N N -6.432 6.420 2.967 1.00 . A A . 58 GLY N 1 1 11 5895 1 1 14 GLY O O -5.443 4.285 5.688 1.00 . A A . 58 GLY O 1 1 11 5896 1 1 15 GLY C C -2.911 3.041 4.042 1.00 . A A . 59 GLY C 1 1 11 5897 1 1 15 GLY CA C -4.384 2.873 3.663 1.00 . A A . 59 GLY CA 1 1 11 5898 1 1 15 GLY H H -5.062 4.656 2.662 1.00 . A A . 59 GLY H 1 1 11 5899 1 1 15 GLY HA2 H -4.898 2.305 4.430 1.00 . A A . 59 GLY HA2 1 1 11 5900 1 1 15 GLY HA3 H -4.451 2.352 2.718 1.00 . A A . 59 GLY HA3 1 1 11 5901 1 1 15 GLY N N -5.014 4.217 3.537 1.00 . A A . 59 GLY N 1 1 11 5902 1 1 15 GLY O O -2.305 4.058 3.769 1.00 . A A . 59 GLY O 1 1 11 5903 1 1 16 SER C C -0.027 1.317 4.115 1.00 . A A . 60 SER C 1 1 11 5904 1 1 16 SER CA C -0.889 2.168 5.051 1.00 . A A . 60 SER CA 1 1 11 5905 1 1 16 SER CB C -0.821 1.634 6.480 1.00 . A A . 60 SER CB 1 1 11 5906 1 1 16 SER H H -2.827 1.238 4.874 1.00 . A A . 60 SER H 1 1 11 5907 1 1 16 SER HA H -0.572 3.198 5.025 1.00 . A A . 60 SER HA 1 1 11 5908 1 1 16 SER HB2 H -1.536 2.152 7.096 1.00 . A A . 60 SER HB2 1 1 11 5909 1 1 16 SER HB3 H -1.050 0.575 6.479 1.00 . A A . 60 SER HB3 1 1 11 5910 1 1 16 SER HG H 0.796 1.019 7.372 1.00 . A A . 60 SER HG 1 1 11 5911 1 1 16 SER N N -2.326 2.054 4.664 1.00 . A A . 60 SER N 1 1 11 5912 1 1 16 SER O O -0.518 0.443 3.431 1.00 . A A . 60 SER O 1 1 11 5913 1 1 16 SER OG O 0.484 1.847 6.999 1.00 . A A . 60 SER OG 1 1 11 5914 1 1 17 CYS C C 3.175 -0.005 4.008 1.00 . A A . 61 CYS C 1 1 11 5915 1 1 17 CYS CA C 2.130 0.753 3.182 1.00 . A A . 61 CYS CA 1 1 11 5916 1 1 17 CYS CB C 2.792 1.770 2.241 1.00 . A A . 61 CYS CB 1 1 11 5917 1 1 17 CYS H H 1.637 2.268 4.636 1.00 . A A . 61 CYS H 1 1 11 5918 1 1 17 CYS HA H 1.536 0.058 2.610 1.00 . A A . 61 CYS HA 1 1 11 5919 1 1 17 CYS HB2 H 3.164 1.256 1.368 1.00 . A A . 61 CYS HB2 1 1 11 5920 1 1 17 CYS HB3 H 2.059 2.503 1.938 1.00 . A A . 61 CYS HB3 1 1 11 5921 1 1 17 CYS N N 1.254 1.560 4.078 1.00 . A A . 61 CYS N 1 1 11 5922 1 1 17 CYS O O 3.826 0.555 4.868 1.00 . A A . 61 CYS O 1 1 11 5923 1 1 17 CYS SG S 4.168 2.602 3.076 1.00 . A A . 61 CYS SG 1 1 11 5924 1 1 18 LYS C C 5.652 -2.155 3.744 1.00 . A A . 62 LYS C 1 1 11 5925 1 1 18 LYS CA C 4.342 -2.061 4.527 1.00 . A A . 62 LYS CA 1 1 11 5926 1 1 18 LYS CB C 3.722 -3.446 4.698 1.00 . A A . 62 LYS CB 1 1 11 5927 1 1 18 LYS CD C 4.219 -5.747 5.537 1.00 . A A . 62 LYS CD 1 1 11 5928 1 1 18 LYS CE C 3.910 -6.335 6.916 1.00 . A A . 62 LYS CE 1 1 11 5929 1 1 18 LYS CG C 4.564 -4.263 5.680 1.00 . A A . 62 LYS CG 1 1 11 5930 1 1 18 LYS H H 2.804 -1.706 3.056 1.00 . A A . 62 LYS H 1 1 11 5931 1 1 18 LYS HA H 4.511 -1.611 5.492 1.00 . A A . 62 LYS HA 1 1 11 5932 1 1 18 LYS HB2 H 2.716 -3.345 5.081 1.00 . A A . 62 LYS HB2 1 1 11 5933 1 1 18 LYS HB3 H 3.695 -3.950 3.745 1.00 . A A . 62 LYS HB3 1 1 11 5934 1 1 18 LYS HD2 H 3.357 -5.855 4.895 1.00 . A A . 62 LYS HD2 1 1 11 5935 1 1 18 LYS HD3 H 5.059 -6.270 5.106 1.00 . A A . 62 LYS HD3 1 1 11 5936 1 1 18 LYS HE2 H 4.180 -5.632 7.692 1.00 . A A . 62 LYS HE2 1 1 11 5937 1 1 18 LYS HE3 H 2.865 -6.594 6.988 1.00 . A A . 62 LYS HE3 1 1 11 5938 1 1 18 LYS HG2 H 5.612 -4.114 5.465 1.00 . A A . 62 LYS HG2 1 1 11 5939 1 1 18 LYS HG3 H 4.354 -3.942 6.689 1.00 . A A . 62 LYS HG3 1 1 11 5940 1 1 18 LYS HZ1 H 4.834 -7.994 6.063 1.00 . A A . 62 LYS HZ1 1 1 11 5941 1 1 18 LYS HZ2 H 5.692 -7.312 7.362 1.00 . A A . 62 LYS HZ2 1 1 11 5942 1 1 18 LYS HZ3 H 4.303 -8.239 7.658 1.00 . A A . 62 LYS HZ3 1 1 11 5943 1 1 18 LYS N N 3.339 -1.273 3.754 1.00 . A A . 62 LYS N 1 1 11 5944 1 1 18 LYS NZ N 4.748 -7.562 7.007 1.00 . A A . 62 LYS NZ 1 1 11 5945 1 1 18 LYS O O 5.657 -2.303 2.538 1.00 . A A . 62 LYS O 1 1 11 5946 1 1 19 ASP C C 8.825 -3.415 4.155 1.00 . A A . 63 ASP C 1 1 11 5947 1 1 19 ASP CA C 8.073 -2.156 3.722 1.00 . A A . 63 ASP CA 1 1 11 5948 1 1 19 ASP CB C 8.833 -0.902 4.153 1.00 . A A . 63 ASP CB 1 1 11 5949 1 1 19 ASP CG C 10.313 -1.054 3.797 1.00 . A A . 63 ASP CG 1 1 11 5950 1 1 19 ASP H H 6.731 -1.955 5.396 1.00 . A A . 63 ASP H 1 1 11 5951 1 1 19 ASP HA H 7.929 -2.150 2.653 1.00 . A A . 63 ASP HA 1 1 11 5952 1 1 19 ASP HB2 H 8.425 -0.041 3.644 1.00 . A A . 63 ASP HB2 1 1 11 5953 1 1 19 ASP HB3 H 8.734 -0.770 5.220 1.00 . A A . 63 ASP HB3 1 1 11 5954 1 1 19 ASP N N 6.761 -2.072 4.423 1.00 . A A . 63 ASP N 1 1 11 5955 1 1 19 ASP O O 9.333 -3.500 5.255 1.00 . A A . 63 ASP O 1 1 11 5956 1 1 19 ASP OD1 O 10.595 -1.417 2.666 1.00 . A A . 63 ASP OD1 1 1 11 5957 1 1 19 ASP OD2 O 11.139 -0.804 4.660 1.00 . A A . 63 ASP OD2 1 1 11 5958 1 1 20 GLN C C 10.969 -5.704 2.907 1.00 . A A . 64 GLN C 1 1 11 5959 1 1 20 GLN CA C 9.635 -5.646 3.655 1.00 . A A . 64 GLN CA 1 1 11 5960 1 1 20 GLN CB C 8.735 -6.831 3.243 1.00 . A A . 64 GLN CB 1 1 11 5961 1 1 20 GLN CD C 6.531 -7.557 2.302 1.00 . A A . 64 GLN CD 1 1 11 5962 1 1 20 GLN CG C 7.412 -6.350 2.628 1.00 . A A . 64 GLN CG 1 1 11 5963 1 1 20 GLN H H 8.494 -4.299 2.411 1.00 . A A . 64 GLN H 1 1 11 5964 1 1 20 GLN HA H 9.809 -5.676 4.719 1.00 . A A . 64 GLN HA 1 1 11 5965 1 1 20 GLN HB2 H 9.259 -7.437 2.518 1.00 . A A . 64 GLN HB2 1 1 11 5966 1 1 20 GLN HB3 H 8.520 -7.431 4.115 1.00 . A A . 64 GLN HB3 1 1 11 5967 1 1 20 GLN HE21 H 4.870 -6.477 2.142 1.00 . A A . 64 GLN HE21 1 1 11 5968 1 1 20 GLN HE22 H 4.682 -8.153 1.880 1.00 . A A . 64 GLN HE22 1 1 11 5969 1 1 20 GLN HG2 H 6.899 -5.710 3.332 1.00 . A A . 64 GLN HG2 1 1 11 5970 1 1 20 GLN HG3 H 7.614 -5.800 1.722 1.00 . A A . 64 GLN HG3 1 1 11 5971 1 1 20 GLN N N 8.907 -4.392 3.294 1.00 . A A . 64 GLN N 1 1 11 5972 1 1 20 GLN NE2 N 5.256 -7.381 2.091 1.00 . A A . 64 GLN NE2 1 1 11 5973 1 1 20 GLN O O 11.268 -4.858 2.087 1.00 . A A . 64 GLN O 1 1 11 5974 1 1 20 GLN OE1 O 7.009 -8.672 2.238 1.00 . A A . 64 GLN OE1 1 1 11 5975 1 1 21 LEU C C 12.929 -7.452 1.126 1.00 . A A . 65 LEU C 1 1 11 5976 1 1 21 LEU CA C 13.093 -6.795 2.496 1.00 . A A . 65 LEU CA 1 1 11 5977 1 1 21 LEU CB C 13.950 -7.671 3.409 1.00 . A A . 65 LEU CB 1 1 11 5978 1 1 21 LEU CD1 C 16.204 -7.178 4.368 1.00 . A A . 65 LEU CD1 1 1 11 5979 1 1 21 LEU CD2 C 15.986 -8.723 2.417 1.00 . A A . 65 LEU CD2 1 1 11 5980 1 1 21 LEU CG C 15.429 -7.461 3.080 1.00 . A A . 65 LEU CG 1 1 11 5981 1 1 21 LEU H H 11.516 -7.358 3.853 1.00 . A A . 65 LEU H 1 1 11 5982 1 1 21 LEU HA H 13.540 -5.824 2.392 1.00 . A A . 65 LEU HA 1 1 11 5983 1 1 21 LEU HB2 H 13.767 -7.402 4.440 1.00 . A A . 65 LEU HB2 1 1 11 5984 1 1 21 LEU HB3 H 13.692 -8.708 3.256 1.00 . A A . 65 LEU HB3 1 1 11 5985 1 1 21 LEU HD11 H 15.800 -6.297 4.845 1.00 . A A . 65 LEU HD11 1 1 11 5986 1 1 21 LEU HD12 H 16.113 -8.021 5.036 1.00 . A A . 65 LEU HD12 1 1 11 5987 1 1 21 LEU HD13 H 17.245 -7.014 4.133 1.00 . A A . 65 LEU HD13 1 1 11 5988 1 1 21 LEU HD21 H 15.203 -9.213 1.859 1.00 . A A . 65 LEU HD21 1 1 11 5989 1 1 21 LEU HD22 H 16.790 -8.452 1.749 1.00 . A A . 65 LEU HD22 1 1 11 5990 1 1 21 LEU HD23 H 16.360 -9.393 3.177 1.00 . A A . 65 LEU HD23 1 1 11 5991 1 1 21 LEU HG H 15.531 -6.622 2.406 1.00 . A A . 65 LEU HG 1 1 11 5992 1 1 21 LEU N N 11.775 -6.690 3.186 1.00 . A A . 65 LEU N 1 1 11 5993 1 1 21 LEU O O 13.805 -7.392 0.285 1.00 . A A . 65 LEU O 1 1 11 5994 1 1 22 GLN C C 10.672 -7.872 -1.290 1.00 . A A . 66 GLN C 1 1 11 5995 1 1 22 GLN CA C 11.582 -8.739 -0.418 1.00 . A A . 66 GLN CA 1 1 11 5996 1 1 22 GLN CB C 10.896 -10.064 -0.077 1.00 . A A . 66 GLN CB 1 1 11 5997 1 1 22 GLN CD C 9.959 -10.285 2.229 1.00 . A A . 66 GLN CD 1 1 11 5998 1 1 22 GLN CG C 9.677 -9.796 0.807 1.00 . A A . 66 GLN CG 1 1 11 5999 1 1 22 GLN H H 11.126 -8.106 1.594 1.00 . A A . 66 GLN H 1 1 11 6000 1 1 22 GLN HA H 12.519 -8.927 -0.916 1.00 . A A . 66 GLN HA 1 1 11 6001 1 1 22 GLN HB2 H 10.582 -10.550 -0.989 1.00 . A A . 66 GLN HB2 1 1 11 6002 1 1 22 GLN HB3 H 11.589 -10.702 0.451 1.00 . A A . 66 GLN HB3 1 1 11 6003 1 1 22 GLN HE21 H 10.734 -12.013 1.633 1.00 . A A . 66 GLN HE21 1 1 11 6004 1 1 22 GLN HE22 H 10.691 -11.778 3.314 1.00 . A A . 66 GLN HE22 1 1 11 6005 1 1 22 GLN HG2 H 9.471 -8.735 0.824 1.00 . A A . 66 GLN HG2 1 1 11 6006 1 1 22 GLN HG3 H 8.822 -10.323 0.411 1.00 . A A . 66 GLN HG3 1 1 11 6007 1 1 22 GLN N N 11.814 -8.075 0.898 1.00 . A A . 66 GLN N 1 1 11 6008 1 1 22 GLN NE2 N 10.507 -11.456 2.407 1.00 . A A . 66 GLN NE2 1 1 11 6009 1 1 22 GLN O O 10.690 -7.958 -2.502 1.00 . A A . 66 GLN O 1 1 11 6010 1 1 22 GLN OE1 O 9.677 -9.594 3.188 1.00 . A A . 66 GLN OE1 1 1 11 6011 1 1 23 SER C C 8.183 -5.244 -0.519 1.00 . A A . 67 SER C 1 1 11 6012 1 1 23 SER CA C 8.963 -6.161 -1.468 1.00 . A A . 67 SER CA 1 1 11 6013 1 1 23 SER CB C 8.022 -7.124 -2.191 1.00 . A A . 67 SER CB 1 1 11 6014 1 1 23 SER H H 9.881 -6.984 0.297 1.00 . A A . 67 SER H 1 1 11 6015 1 1 23 SER HA H 9.521 -5.578 -2.184 1.00 . A A . 67 SER HA 1 1 11 6016 1 1 23 SER HB2 H 7.518 -6.607 -2.991 1.00 . A A . 67 SER HB2 1 1 11 6017 1 1 23 SER HB3 H 8.595 -7.945 -2.602 1.00 . A A . 67 SER HB3 1 1 11 6018 1 1 23 SER HG H 6.434 -8.161 -1.758 1.00 . A A . 67 SER HG 1 1 11 6019 1 1 23 SER N N 9.878 -7.036 -0.681 1.00 . A A . 67 SER N 1 1 11 6020 1 1 23 SER O O 8.745 -4.653 0.380 1.00 . A A . 67 SER O 1 1 11 6021 1 1 23 SER OG O 7.056 -7.616 -1.271 1.00 . A A . 67 SER OG 1 1 11 6022 1 1 24 TYR C C 4.610 -4.626 0.096 1.00 . A A . 68 TYR C 1 1 11 6023 1 1 24 TYR CA C 6.089 -4.246 0.193 1.00 . A A . 68 TYR CA 1 1 11 6024 1 1 24 TYR CB C 6.320 -2.825 -0.319 1.00 . A A . 68 TYR CB 1 1 11 6025 1 1 24 TYR CD1 C 6.901 -3.050 -2.760 1.00 . A A . 68 TYR CD1 1 1 11 6026 1 1 24 TYR CD2 C 4.645 -2.399 -2.153 1.00 . A A . 68 TYR CD2 1 1 11 6027 1 1 24 TYR CE1 C 6.554 -2.990 -4.115 1.00 . A A . 68 TYR CE1 1 1 11 6028 1 1 24 TYR CE2 C 4.299 -2.337 -3.508 1.00 . A A . 68 TYR CE2 1 1 11 6029 1 1 24 TYR CG C 5.948 -2.755 -1.780 1.00 . A A . 68 TYR CG 1 1 11 6030 1 1 24 TYR CZ C 5.253 -2.633 -4.489 1.00 . A A . 68 TYR CZ 1 1 11 6031 1 1 24 TYR H H 6.458 -5.605 -1.436 1.00 . A A . 68 TYR H 1 1 11 6032 1 1 24 TYR HA H 6.435 -4.333 1.211 1.00 . A A . 68 TYR HA 1 1 11 6033 1 1 24 TYR HB2 H 5.708 -2.134 0.245 1.00 . A A . 68 TYR HB2 1 1 11 6034 1 1 24 TYR HB3 H 7.364 -2.567 -0.200 1.00 . A A . 68 TYR HB3 1 1 11 6035 1 1 24 TYR HD1 H 7.906 -3.323 -2.471 1.00 . A A . 68 TYR HD1 1 1 11 6036 1 1 24 TYR HD2 H 3.909 -2.171 -1.396 1.00 . A A . 68 TYR HD2 1 1 11 6037 1 1 24 TYR HE1 H 7.290 -3.217 -4.872 1.00 . A A . 68 TYR HE1 1 1 11 6038 1 1 24 TYR HE2 H 3.295 -2.061 -3.796 1.00 . A A . 68 TYR HE2 1 1 11 6039 1 1 24 TYR HH H 4.148 -1.997 -5.910 1.00 . A A . 68 TYR HH 1 1 11 6040 1 1 24 TYR N N 6.896 -5.120 -0.707 1.00 . A A . 68 TYR N 1 1 11 6041 1 1 24 TYR O O 4.150 -5.099 -0.924 1.00 . A A . 68 TYR O 1 1 11 6042 1 1 24 TYR OH O 4.911 -2.572 -5.825 1.00 . A A . 68 TYR OH 1 1 11 6043 1 1 25 ILE C C 1.572 -3.762 1.852 1.00 . A A . 69 ILE C 1 1 11 6044 1 1 25 ILE CA C 2.417 -4.796 1.101 1.00 . A A . 69 ILE CA 1 1 11 6045 1 1 25 ILE CB C 2.346 -6.166 1.774 1.00 . A A . 69 ILE CB 1 1 11 6046 1 1 25 ILE CD1 C 2.358 -8.615 1.316 1.00 . A A . 69 ILE CD1 1 1 11 6047 1 1 25 ILE CG1 C 2.672 -7.238 0.737 1.00 . A A . 69 ILE CG1 1 1 11 6048 1 1 25 ILE CG2 C 0.940 -6.412 2.331 1.00 . A A . 69 ILE CG2 1 1 11 6049 1 1 25 ILE H H 4.248 -4.055 1.964 1.00 . A A . 69 ILE H 1 1 11 6050 1 1 25 ILE HA H 2.084 -4.878 0.079 1.00 . A A . 69 ILE HA 1 1 11 6051 1 1 25 ILE HB H 3.066 -6.211 2.579 1.00 . A A . 69 ILE HB 1 1 11 6052 1 1 25 ILE HD11 H 2.761 -8.684 2.315 1.00 . A A . 69 ILE HD11 1 1 11 6053 1 1 25 ILE HD12 H 1.288 -8.754 1.349 1.00 . A A . 69 ILE HD12 1 1 11 6054 1 1 25 ILE HD13 H 2.803 -9.377 0.693 1.00 . A A . 69 ILE HD13 1 1 11 6055 1 1 25 ILE HG12 H 2.075 -7.072 -0.149 1.00 . A A . 69 ILE HG12 1 1 11 6056 1 1 25 ILE HG13 H 3.719 -7.186 0.481 1.00 . A A . 69 ILE HG13 1 1 11 6057 1 1 25 ILE HG21 H 0.671 -5.605 2.995 1.00 . A A . 69 ILE HG21 1 1 11 6058 1 1 25 ILE HG22 H 0.233 -6.460 1.516 1.00 . A A . 69 ILE HG22 1 1 11 6059 1 1 25 ILE HG23 H 0.927 -7.345 2.875 1.00 . A A . 69 ILE HG23 1 1 11 6060 1 1 25 ILE N N 3.861 -4.432 1.146 1.00 . A A . 69 ILE N 1 1 11 6061 1 1 25 ILE O O 1.769 -3.518 3.026 1.00 . A A . 69 ILE O 1 1 11 6062 1 1 26 CYS C C -1.314 -2.838 2.675 1.00 . A A . 70 CYS C 1 1 11 6063 1 1 26 CYS CA C -0.232 -2.146 1.838 1.00 . A A . 70 CYS CA 1 1 11 6064 1 1 26 CYS CB C -0.816 -1.351 0.661 1.00 . A A . 70 CYS CB 1 1 11 6065 1 1 26 CYS H H 0.493 -3.374 0.235 1.00 . A A . 70 CYS H 1 1 11 6066 1 1 26 CYS HA H 0.360 -1.497 2.450 1.00 . A A . 70 CYS HA 1 1 11 6067 1 1 26 CYS HB2 H -0.313 -0.404 0.593 1.00 . A A . 70 CYS HB2 1 1 11 6068 1 1 26 CYS HB3 H -0.630 -1.907 -0.236 1.00 . A A . 70 CYS HB3 1 1 11 6069 1 1 26 CYS N N 0.631 -3.160 1.180 1.00 . A A . 70 CYS N 1 1 11 6070 1 1 26 CYS O O -1.478 -4.042 2.636 1.00 . A A . 70 CYS O 1 1 11 6071 1 1 26 CYS SG S -2.607 -1.069 0.830 1.00 . A A . 70 CYS SG 1 1 11 6072 1 1 27 PHE C C -4.243 -1.620 4.452 1.00 . A A . 71 PHE C 1 1 11 6073 1 1 27 PHE CA C -3.131 -2.651 4.270 1.00 . A A . 71 PHE CA 1 1 11 6074 1 1 27 PHE CB C -2.473 -2.962 5.609 1.00 . A A . 71 PHE CB 1 1 11 6075 1 1 27 PHE CD1 C -2.076 -5.424 5.244 1.00 . A A . 71 PHE CD1 1 1 11 6076 1 1 27 PHE CD2 C -0.161 -3.962 5.526 1.00 . A A . 71 PHE CD2 1 1 11 6077 1 1 27 PHE CE1 C -1.218 -6.520 5.102 1.00 . A A . 71 PHE CE1 1 1 11 6078 1 1 27 PHE CE2 C 0.697 -5.059 5.384 1.00 . A A . 71 PHE CE2 1 1 11 6079 1 1 27 PHE CG C -1.548 -4.145 5.456 1.00 . A A . 71 PHE CG 1 1 11 6080 1 1 27 PHE CZ C 0.168 -6.339 5.172 1.00 . A A . 71 PHE CZ 1 1 11 6081 1 1 27 PHE H H -1.895 -1.111 3.427 1.00 . A A . 71 PHE H 1 1 11 6082 1 1 27 PHE HA H -3.519 -3.555 3.827 1.00 . A A . 71 PHE HA 1 1 11 6083 1 1 27 PHE HB2 H -1.909 -2.100 5.941 1.00 . A A . 71 PHE HB2 1 1 11 6084 1 1 27 PHE HB3 H -3.239 -3.195 6.333 1.00 . A A . 71 PHE HB3 1 1 11 6085 1 1 27 PHE HD1 H -3.145 -5.564 5.189 1.00 . A A . 71 PHE HD1 1 1 11 6086 1 1 27 PHE HD2 H 0.246 -2.976 5.691 1.00 . A A . 71 PHE HD2 1 1 11 6087 1 1 27 PHE HE1 H -1.625 -7.507 4.938 1.00 . A A . 71 PHE HE1 1 1 11 6088 1 1 27 PHE HE2 H 1.766 -4.919 5.438 1.00 . A A . 71 PHE HE2 1 1 11 6089 1 1 27 PHE HZ H 0.831 -7.185 5.062 1.00 . A A . 71 PHE HZ 1 1 11 6090 1 1 27 PHE N N -2.051 -2.074 3.424 1.00 . A A . 71 PHE N 1 1 11 6091 1 1 27 PHE O O -4.357 -0.985 5.481 1.00 . A A . 71 PHE O 1 1 11 6092 1 1 28 CYS C C -7.223 -0.923 4.534 1.00 . A A . 72 CYS C 1 1 11 6093 1 1 28 CYS CA C -6.158 -0.447 3.550 1.00 . A A . 72 CYS CA 1 1 11 6094 1 1 28 CYS CB C -6.735 -0.366 2.139 1.00 . A A . 72 CYS CB 1 1 11 6095 1 1 28 CYS H H -4.935 -1.965 2.634 1.00 . A A . 72 CYS H 1 1 11 6096 1 1 28 CYS HA H -5.771 0.515 3.846 1.00 . A A . 72 CYS HA 1 1 11 6097 1 1 28 CYS HB2 H -6.063 -0.860 1.453 1.00 . A A . 72 CYS HB2 1 1 11 6098 1 1 28 CYS HB3 H -7.701 -0.852 2.115 1.00 . A A . 72 CYS HB3 1 1 11 6099 1 1 28 CYS N N -5.055 -1.443 3.453 1.00 . A A . 72 CYS N 1 1 11 6100 1 1 28 CYS O O -6.948 -1.668 5.454 1.00 . A A . 72 CYS O 1 1 11 6101 1 1 28 CYS SG S -6.922 1.371 1.661 1.00 . A A . 72 CYS SG 1 1 11 6102 1 1 29 LEU C C -10.585 -1.696 4.476 1.00 . A A . 73 LEU C 1 1 11 6103 1 1 29 LEU CA C -9.529 -0.916 5.265 1.00 . A A . 73 LEU CA 1 1 11 6104 1 1 29 LEU CB C -10.103 0.395 5.810 1.00 . A A . 73 LEU CB 1 1 11 6105 1 1 29 LEU CD1 C -9.522 2.723 6.526 1.00 . A A . 73 LEU CD1 1 1 11 6106 1 1 29 LEU CD2 C -8.229 0.783 7.423 1.00 . A A . 73 LEU CD2 1 1 11 6107 1 1 29 LEU CG C -8.956 1.341 6.195 1.00 . A A . 73 LEU CG 1 1 11 6108 1 1 29 LEU H H -8.636 0.106 3.597 1.00 . A A . 73 LEU H 1 1 11 6109 1 1 29 LEU HA H -9.136 -1.515 6.071 1.00 . A A . 73 LEU HA 1 1 11 6110 1 1 29 LEU HB2 H -10.715 0.861 5.051 1.00 . A A . 73 LEU HB2 1 1 11 6111 1 1 29 LEU HB3 H -10.703 0.190 6.682 1.00 . A A . 73 LEU HB3 1 1 11 6112 1 1 29 LEU HD11 H -10.144 3.063 5.711 1.00 . A A . 73 LEU HD11 1 1 11 6113 1 1 29 LEU HD12 H -10.112 2.665 7.429 1.00 . A A . 73 LEU HD12 1 1 11 6114 1 1 29 LEU HD13 H -8.709 3.420 6.672 1.00 . A A . 73 LEU HD13 1 1 11 6115 1 1 29 LEU HD21 H -8.089 -0.281 7.307 1.00 . A A . 73 LEU HD21 1 1 11 6116 1 1 29 LEU HD22 H -7.267 1.264 7.522 1.00 . A A . 73 LEU HD22 1 1 11 6117 1 1 29 LEU HD23 H -8.819 0.974 8.308 1.00 . A A . 73 LEU HD23 1 1 11 6118 1 1 29 LEU HG H -8.260 1.424 5.370 1.00 . A A . 73 LEU HG 1 1 11 6119 1 1 29 LEU N N -8.438 -0.496 4.346 1.00 . A A . 73 LEU N 1 1 11 6120 1 1 29 LEU O O -10.411 -1.954 3.303 1.00 . A A . 73 LEU O 1 1 11 6121 1 1 30 PRO C C -13.371 -1.980 3.365 1.00 . A A . 74 PRO C 1 1 11 6122 1 1 30 PRO CA C -12.739 -2.812 4.487 1.00 . A A . 74 PRO CA 1 1 11 6123 1 1 30 PRO CB C -13.751 -3.066 5.608 1.00 . A A . 74 PRO CB 1 1 11 6124 1 1 30 PRO CD C -11.934 -1.787 6.555 1.00 . A A . 74 PRO CD 1 1 11 6125 1 1 30 PRO CG C -13.025 -2.768 6.884 1.00 . A A . 74 PRO CG 1 1 11 6126 1 1 30 PRO HA H -12.370 -3.747 4.104 1.00 . A A . 74 PRO HA 1 1 11 6127 1 1 30 PRO HB2 H -14.602 -2.407 5.498 1.00 . A A . 74 PRO HB2 1 1 11 6128 1 1 30 PRO HB3 H -14.069 -4.098 5.598 1.00 . A A . 74 PRO HB3 1 1 11 6129 1 1 30 PRO HD2 H -12.286 -0.773 6.693 1.00 . A A . 74 PRO HD2 1 1 11 6130 1 1 30 PRO HD3 H -11.058 -1.975 7.156 1.00 . A A . 74 PRO HD3 1 1 11 6131 1 1 30 PRO HG2 H -13.708 -2.336 7.603 1.00 . A A . 74 PRO HG2 1 1 11 6132 1 1 30 PRO HG3 H -12.592 -3.673 7.282 1.00 . A A . 74 PRO HG3 1 1 11 6133 1 1 30 PRO N N -11.649 -2.051 5.145 1.00 . A A . 74 PRO N 1 1 11 6134 1 1 30 PRO O O -14.184 -2.465 2.603 1.00 . A A . 74 PRO O 1 1 11 6135 1 1 31 ALA C C -12.715 0.108 0.936 1.00 . A A . 75 ALA C 1 1 11 6136 1 1 31 ALA CA C -13.589 0.134 2.195 1.00 . A A . 75 ALA CA 1 1 11 6137 1 1 31 ALA CB C -13.601 1.537 2.801 1.00 . A A . 75 ALA CB 1 1 11 6138 1 1 31 ALA H H -12.357 -0.358 3.889 1.00 . A A . 75 ALA H 1 1 11 6139 1 1 31 ALA HA H -14.596 -0.175 1.964 1.00 . A A . 75 ALA HA 1 1 11 6140 1 1 31 ALA HB1 H -12.692 1.691 3.367 1.00 . A A . 75 ALA HB1 1 1 11 6141 1 1 31 ALA HB2 H -13.661 2.270 2.010 1.00 . A A . 75 ALA HB2 1 1 11 6142 1 1 31 ALA HB3 H -14.453 1.641 3.455 1.00 . A A . 75 ALA HB3 1 1 11 6143 1 1 31 ALA N N -13.008 -0.731 3.261 1.00 . A A . 75 ALA N 1 1 11 6144 1 1 31 ALA O O -12.933 0.860 0.007 1.00 . A A . 75 ALA O 1 1 11 6145 1 1 32 PHE C C -10.291 -2.214 -0.504 1.00 . A A . 76 PHE C 1 1 11 6146 1 1 32 PHE CA C -10.849 -0.801 -0.310 1.00 . A A . 76 PHE CA 1 1 11 6147 1 1 32 PHE CB C -9.721 0.187 -0.021 1.00 . A A . 76 PHE CB 1 1 11 6148 1 1 32 PHE CD1 C -10.719 2.467 -0.420 1.00 . A A . 76 PHE CD1 1 1 11 6149 1 1 32 PHE CD2 C -10.435 1.703 1.863 1.00 . A A . 76 PHE CD2 1 1 11 6150 1 1 32 PHE CE1 C -11.262 3.668 0.049 1.00 . A A . 76 PHE CE1 1 1 11 6151 1 1 32 PHE CE2 C -10.979 2.904 2.333 1.00 . A A . 76 PHE CE2 1 1 11 6152 1 1 32 PHE CG C -10.305 1.483 0.486 1.00 . A A . 76 PHE CG 1 1 11 6153 1 1 32 PHE CZ C -11.392 3.887 1.426 1.00 . A A . 76 PHE CZ 1 1 11 6154 1 1 32 PHE H H -11.562 -1.343 1.650 1.00 . A A . 76 PHE H 1 1 11 6155 1 1 32 PHE HA H -11.394 -0.490 -1.185 1.00 . A A . 76 PHE HA 1 1 11 6156 1 1 32 PHE HB2 H -9.063 -0.229 0.729 1.00 . A A . 76 PHE HB2 1 1 11 6157 1 1 32 PHE HB3 H -9.165 0.374 -0.928 1.00 . A A . 76 PHE HB3 1 1 11 6158 1 1 32 PHE HD1 H -10.618 2.298 -1.483 1.00 . A A . 76 PHE HD1 1 1 11 6159 1 1 32 PHE HD2 H -10.116 0.944 2.563 1.00 . A A . 76 PHE HD2 1 1 11 6160 1 1 32 PHE HE1 H -11.581 4.426 -0.651 1.00 . A A . 76 PHE HE1 1 1 11 6161 1 1 32 PHE HE2 H -11.078 3.073 3.394 1.00 . A A . 76 PHE HE2 1 1 11 6162 1 1 32 PHE HZ H -11.811 4.814 1.789 1.00 . A A . 76 PHE HZ 1 1 11 6163 1 1 32 PHE N N -11.727 -0.745 0.894 1.00 . A A . 76 PHE N 1 1 11 6164 1 1 32 PHE O O -10.561 -3.111 0.270 1.00 . A A . 76 PHE O 1 1 11 6165 1 1 33 GLU C C -8.039 -3.751 -3.020 1.00 . A A . 77 GLU C 1 1 11 6166 1 1 33 GLU CA C -8.938 -3.772 -1.778 1.00 . A A . 77 GLU CA 1 1 11 6167 1 1 33 GLU CB C -10.147 -4.678 -2.008 1.00 . A A . 77 GLU CB 1 1 11 6168 1 1 33 GLU CD C -8.704 -6.683 -2.385 1.00 . A A . 77 GLU CD 1 1 11 6169 1 1 33 GLU CG C -9.825 -6.094 -1.526 1.00 . A A . 77 GLU CG 1 1 11 6170 1 1 33 GLU H H -9.307 -1.680 -2.147 1.00 . A A . 77 GLU H 1 1 11 6171 1 1 33 GLU HA H -8.383 -4.108 -0.917 1.00 . A A . 77 GLU HA 1 1 11 6172 1 1 33 GLU HB2 H -10.994 -4.293 -1.458 1.00 . A A . 77 GLU HB2 1 1 11 6173 1 1 33 GLU HB3 H -10.383 -4.704 -3.062 1.00 . A A . 77 GLU HB3 1 1 11 6174 1 1 33 GLU HG2 H -9.508 -6.059 -0.493 1.00 . A A . 77 GLU HG2 1 1 11 6175 1 1 33 GLU HG3 H -10.705 -6.713 -1.612 1.00 . A A . 77 GLU HG3 1 1 11 6176 1 1 33 GLU N N -9.512 -2.418 -1.534 1.00 . A A . 77 GLU N 1 1 11 6177 1 1 33 GLU O O -8.371 -3.158 -4.027 1.00 . A A . 77 GLU O 1 1 11 6178 1 1 33 GLU OE1 O -8.945 -6.916 -3.558 1.00 . A A . 77 GLU OE1 1 1 11 6179 1 1 33 GLU OE2 O -7.625 -6.891 -1.854 1.00 . A A . 77 GLU OE2 1 1 11 6180 1 1 34 GLY C C -4.560 -4.126 -3.681 1.00 . A A . 78 GLY C 1 1 11 6181 1 1 34 GLY CA C -5.992 -4.412 -4.137 1.00 . A A . 78 GLY CA 1 1 11 6182 1 1 34 GLY H H -6.656 -4.870 -2.137 1.00 . A A . 78 GLY H 1 1 11 6183 1 1 34 GLY HA2 H -6.034 -5.383 -4.609 1.00 . A A . 78 GLY HA2 1 1 11 6184 1 1 34 GLY HA3 H -6.301 -3.655 -4.841 1.00 . A A . 78 GLY HA3 1 1 11 6185 1 1 34 GLY N N -6.906 -4.396 -2.957 1.00 . A A . 78 GLY N 1 1 11 6186 1 1 34 GLY O O -4.318 -3.775 -2.544 1.00 . A A . 78 GLY O 1 1 11 6187 1 1 35 ARG C C -2.104 -2.727 -3.341 1.00 . A A . 79 ARG C 1 1 11 6188 1 1 35 ARG CA C -2.191 -4.004 -4.180 1.00 . A A . 79 ARG CA 1 1 11 6189 1 1 35 ARG CB C -1.448 -3.828 -5.505 1.00 . A A . 79 ARG CB 1 1 11 6190 1 1 35 ARG CD C -0.549 -5.101 -7.459 1.00 . A A . 79 ARG CD 1 1 11 6191 1 1 35 ARG CG C -1.605 -5.093 -6.352 1.00 . A A . 79 ARG CG 1 1 11 6192 1 1 35 ARG CZ C -1.177 -3.760 -9.376 1.00 . A A . 79 ARG CZ 1 1 11 6193 1 1 35 ARG H H -3.823 -4.553 -5.476 1.00 . A A . 79 ARG H 1 1 11 6194 1 1 35 ARG HA H -1.782 -4.842 -3.637 1.00 . A A . 79 ARG HA 1 1 11 6195 1 1 35 ARG HB2 H -1.858 -2.983 -6.038 1.00 . A A . 79 ARG HB2 1 1 11 6196 1 1 35 ARG HB3 H -0.399 -3.657 -5.310 1.00 . A A . 79 ARG HB3 1 1 11 6197 1 1 35 ARG HD2 H 0.441 -5.181 -7.033 1.00 . A A . 79 ARG HD2 1 1 11 6198 1 1 35 ARG HD3 H -0.730 -5.912 -8.147 1.00 . A A . 79 ARG HD3 1 1 11 6199 1 1 35 ARG HE H -0.474 -2.962 -7.699 1.00 . A A . 79 ARG HE 1 1 11 6200 1 1 35 ARG HG2 H -1.478 -5.964 -5.725 1.00 . A A . 79 ARG HG2 1 1 11 6201 1 1 35 ARG HG3 H -2.590 -5.108 -6.795 1.00 . A A . 79 ARG HG3 1 1 11 6202 1 1 35 ARG HH11 H 0.438 -4.633 -10.176 1.00 . A A . 79 ARG HH11 1 1 11 6203 1 1 35 ARG HH12 H -0.817 -4.213 -11.292 1.00 . A A . 79 ARG HH12 1 1 11 6204 1 1 35 ARG HH21 H -2.899 -2.880 -8.860 1.00 . A A . 79 ARG HH21 1 1 11 6205 1 1 35 ARG HH22 H -2.707 -3.220 -10.548 1.00 . A A . 79 ARG HH22 1 1 11 6206 1 1 35 ARG N N -3.608 -4.271 -4.562 1.00 . A A . 79 ARG N 1 1 11 6207 1 1 35 ARG NE N -0.713 -3.795 -8.156 1.00 . A A . 79 ARG NE 1 1 11 6208 1 1 35 ARG NH1 N -0.463 -4.239 -10.358 1.00 . A A . 79 ARG NH1 1 1 11 6209 1 1 35 ARG NH2 N -2.353 -3.248 -9.613 1.00 . A A . 79 ARG NH2 1 1 11 6210 1 1 35 ARG O O -1.429 -2.680 -2.331 1.00 . A A . 79 ARG O 1 1 11 6211 1 1 36 ASN C C -4.155 -0.074 -2.479 1.00 . A A . 80 ASN C 1 1 11 6212 1 1 36 ASN CA C -2.749 -0.420 -2.974 1.00 . A A . 80 ASN CA 1 1 11 6213 1 1 36 ASN CB C -2.254 0.634 -3.965 1.00 . A A . 80 ASN CB 1 1 11 6214 1 1 36 ASN CG C -0.912 0.193 -4.553 1.00 . A A . 80 ASN CG 1 1 11 6215 1 1 36 ASN H H -3.328 -1.754 -4.564 1.00 . A A . 80 ASN H 1 1 11 6216 1 1 36 ASN HA H -2.063 -0.500 -2.144 1.00 . A A . 80 ASN HA 1 1 11 6217 1 1 36 ASN HB2 H -2.977 0.747 -4.760 1.00 . A A . 80 ASN HB2 1 1 11 6218 1 1 36 ASN HB3 H -2.129 1.577 -3.456 1.00 . A A . 80 ASN HB3 1 1 11 6219 1 1 36 ASN HD21 H -0.394 -0.855 -2.944 1.00 . A A . 80 ASN HD21 1 1 11 6220 1 1 36 ASN HD22 H 0.742 -0.858 -4.216 1.00 . A A . 80 ASN HD22 1 1 11 6221 1 1 36 ASN N N -2.786 -1.693 -3.749 1.00 . A A . 80 ASN N 1 1 11 6222 1 1 36 ASN ND2 N -0.123 -0.570 -3.846 1.00 . A A . 80 ASN ND2 1 1 11 6223 1 1 36 ASN O O -4.375 0.957 -1.873 1.00 . A A . 80 ASN O 1 1 11 6224 1 1 36 ASN OD1 O -0.578 0.545 -5.666 1.00 . A A . 80 ASN OD1 1 1 11 6225 1 1 37 CYS C C -7.091 0.511 -3.083 1.00 . A A . 81 CYS C 1 1 11 6226 1 1 37 CYS CA C -6.501 -0.655 -2.278 1.00 . A A . 81 CYS CA 1 1 11 6227 1 1 37 CYS CB C -6.363 -0.343 -0.772 1.00 . A A . 81 CYS CB 1 1 11 6228 1 1 37 CYS H H -4.909 -1.754 -3.222 1.00 . A A . 81 CYS H 1 1 11 6229 1 1 37 CYS HA H -7.110 -1.536 -2.412 1.00 . A A . 81 CYS HA 1 1 11 6230 1 1 37 CYS HB2 H -6.955 -1.051 -0.212 1.00 . A A . 81 CYS HB2 1 1 11 6231 1 1 37 CYS HB3 H -5.326 -0.455 -0.486 1.00 . A A . 81 CYS HB3 1 1 11 6232 1 1 37 CYS N N -5.109 -0.929 -2.732 1.00 . A A . 81 CYS N 1 1 11 6233 1 1 37 CYS O O -8.169 0.994 -2.797 1.00 . A A . 81 CYS O 1 1 11 6234 1 1 37 CYS SG S -6.917 1.337 -0.359 1.00 . A A . 81 CYS SG 1 1 11 6235 1 1 38 GLU C C -8.312 1.729 -5.448 1.00 . A A . 82 GLU C 1 1 11 6236 1 1 38 GLU CA C -6.921 2.083 -4.916 1.00 . A A . 82 GLU CA 1 1 11 6237 1 1 38 GLU CB C -5.923 2.233 -6.066 1.00 . A A . 82 GLU CB 1 1 11 6238 1 1 38 GLU CD C -5.581 3.144 -8.368 1.00 . A A . 82 GLU CD 1 1 11 6239 1 1 38 GLU CG C -6.566 3.030 -7.203 1.00 . A A . 82 GLU CG 1 1 11 6240 1 1 38 GLU H H -5.530 0.552 -4.311 1.00 . A A . 82 GLU H 1 1 11 6241 1 1 38 GLU HA H -6.957 2.992 -4.335 1.00 . A A . 82 GLU HA 1 1 11 6242 1 1 38 GLU HB2 H -5.043 2.753 -5.713 1.00 . A A . 82 GLU HB2 1 1 11 6243 1 1 38 GLU HB3 H -5.644 1.253 -6.429 1.00 . A A . 82 GLU HB3 1 1 11 6244 1 1 38 GLU HG2 H -7.461 2.524 -7.534 1.00 . A A . 82 GLU HG2 1 1 11 6245 1 1 38 GLU HG3 H -6.820 4.018 -6.851 1.00 . A A . 82 GLU HG3 1 1 11 6246 1 1 38 GLU N N -6.395 0.959 -4.092 1.00 . A A . 82 GLU N 1 1 11 6247 1 1 38 GLU O O -9.068 2.585 -5.860 1.00 . A A . 82 GLU O 1 1 11 6248 1 1 38 GLU OE1 O -5.013 2.130 -8.738 1.00 . A A . 82 GLU OE1 1 1 11 6249 1 1 38 GLU OE2 O -5.412 4.242 -8.870 1.00 . A A . 82 GLU OE2 1 1 11 6250 1 1 39 THR C C -11.057 0.291 -4.864 1.00 . A A . 83 THR C 1 1 11 6251 1 1 39 THR CA C -9.994 0.053 -5.941 1.00 . A A . 83 THR CA 1 1 11 6252 1 1 39 THR CB C -9.856 -1.441 -6.242 1.00 . A A . 83 THR CB 1 1 11 6253 1 1 39 THR CG2 C -11.243 -2.078 -6.352 1.00 . A A . 83 THR CG2 1 1 11 6254 1 1 39 THR H H -8.026 -0.206 -5.101 1.00 . A A . 83 THR H 1 1 11 6255 1 1 39 THR HA H -10.242 0.590 -6.843 1.00 . A A . 83 THR HA 1 1 11 6256 1 1 39 THR HB H -9.308 -1.920 -5.446 1.00 . A A . 83 THR HB 1 1 11 6257 1 1 39 THR HG1 H -8.273 -1.925 -7.264 1.00 . A A . 83 THR HG1 1 1 11 6258 1 1 39 THR HG21 H -11.998 -1.307 -6.297 1.00 . A A . 83 THR HG21 1 1 11 6259 1 1 39 THR HG22 H -11.327 -2.598 -7.294 1.00 . A A . 83 THR HG22 1 1 11 6260 1 1 39 THR HG23 H -11.384 -2.776 -5.540 1.00 . A A . 83 THR HG23 1 1 11 6261 1 1 39 THR N N -8.653 0.468 -5.439 1.00 . A A . 83 THR N 1 1 11 6262 1 1 39 THR O O -11.544 -0.633 -4.243 1.00 . A A . 83 THR O 1 1 11 6263 1 1 39 THR OG1 O -9.158 -1.612 -7.468 1.00 . A A . 83 THR OG1 1 1 11 6264 1 1 40 HIS C C -13.608 0.824 -3.708 1.00 . A A . 84 HIS C 1 1 11 6265 1 1 40 HIS CA C -12.450 1.819 -3.600 1.00 . A A . 84 HIS CA 1 1 11 6266 1 1 40 HIS CB C -12.929 3.238 -3.910 1.00 . A A . 84 HIS CB 1 1 11 6267 1 1 40 HIS CD2 C -14.638 2.978 -1.931 1.00 . A A . 84 HIS CD2 1 1 11 6268 1 1 40 HIS CE1 C -15.112 5.074 -1.648 1.00 . A A . 84 HIS CE1 1 1 11 6269 1 1 40 HIS CG C -13.904 3.680 -2.854 1.00 . A A . 84 HIS CG 1 1 11 6270 1 1 40 HIS H H -11.015 2.256 -5.147 1.00 . A A . 84 HIS H 1 1 11 6271 1 1 40 HIS HA H -12.013 1.785 -2.615 1.00 . A A . 84 HIS HA 1 1 11 6272 1 1 40 HIS HB2 H -12.083 3.909 -3.924 1.00 . A A . 84 HIS HB2 1 1 11 6273 1 1 40 HIS HB3 H -13.414 3.250 -4.875 1.00 . A A . 84 HIS HB3 1 1 11 6274 1 1 40 HIS HD1 H -13.863 5.776 -3.157 1.00 . A A . 84 HIS HD1 1 1 11 6275 1 1 40 HIS HD2 H -14.626 1.905 -1.813 1.00 . A A . 84 HIS HD2 1 1 11 6276 1 1 40 HIS HE1 H -15.540 5.991 -1.271 1.00 . A A . 84 HIS HE1 1 1 11 6277 1 1 40 HIS N N -11.420 1.524 -4.637 1.00 . A A . 84 HIS N 1 1 11 6278 1 1 40 HIS ND1 N -14.221 5.015 -2.655 1.00 . A A . 84 HIS ND1 1 1 11 6279 1 1 40 HIS NE2 N -15.400 3.860 -1.170 1.00 . A A . 84 HIS NE2 1 1 11 6280 1 1 40 HIS O O -14.424 0.903 -4.605 1.00 . A A . 84 HIS O 1 1 11 6281 1 1 41 LYS C C -16.116 -0.417 -3.186 1.00 . A A . 85 LYS C 1 1 11 6282 1 1 41 LYS CA C -14.791 -1.110 -2.854 1.00 . A A . 85 LYS CA 1 1 11 6283 1 1 41 LYS CB C -14.842 -1.719 -1.453 1.00 . A A . 85 LYS CB 1 1 11 6284 1 1 41 LYS CD C -13.628 -3.156 0.189 1.00 . A A . 85 LYS CD 1 1 11 6285 1 1 41 LYS CE C -13.282 -4.648 0.176 1.00 . A A . 85 LYS CE 1 1 11 6286 1 1 41 LYS CG C -13.622 -2.617 -1.242 1.00 . A A . 85 LYS CG 1 1 11 6287 1 1 41 LYS H H -13.015 -0.157 -2.087 1.00 . A A . 85 LYS H 1 1 11 6288 1 1 41 LYS HA H -14.573 -1.877 -3.581 1.00 . A A . 85 LYS HA 1 1 11 6289 1 1 41 LYS HB2 H -14.837 -0.926 -0.716 1.00 . A A . 85 LYS HB2 1 1 11 6290 1 1 41 LYS HB3 H -15.743 -2.305 -1.347 1.00 . A A . 85 LYS HB3 1 1 11 6291 1 1 41 LYS HD2 H -12.897 -2.622 0.778 1.00 . A A . 85 LYS HD2 1 1 11 6292 1 1 41 LYS HD3 H -14.608 -3.021 0.621 1.00 . A A . 85 LYS HD3 1 1 11 6293 1 1 41 LYS HE2 H -12.576 -4.861 -0.615 1.00 . A A . 85 LYS HE2 1 1 11 6294 1 1 41 LYS HE3 H -12.882 -4.951 1.130 1.00 . A A . 85 LYS HE3 1 1 11 6295 1 1 41 LYS HG2 H -13.659 -3.442 -1.939 1.00 . A A . 85 LYS HG2 1 1 11 6296 1 1 41 LYS HG3 H -12.721 -2.047 -1.406 1.00 . A A . 85 LYS HG3 1 1 11 6297 1 1 41 LYS HZ1 H -15.296 -4.984 0.582 1.00 . A A . 85 LYS HZ1 1 1 11 6298 1 1 41 LYS HZ2 H -14.883 -5.153 -1.055 1.00 . A A . 85 LYS HZ2 1 1 11 6299 1 1 41 LYS HZ3 H -14.453 -6.363 0.058 1.00 . A A . 85 LYS HZ3 1 1 11 6300 1 1 41 LYS N N -13.685 -0.111 -2.802 1.00 . A A . 85 LYS N 1 1 11 6301 1 1 41 LYS NZ N -14.576 -5.339 -0.079 1.00 . A A . 85 LYS NZ 1 1 11 6302 1 1 41 LYS O O -16.644 0.255 -2.316 1.00 . A A . 85 LYS O 1 1 11 6303 1 1 41 LYS OXT O -16.577 -0.570 -4.305 1.00 . A A . 85 LYS OXT 1 1 12 6304 1 1 1 SER C C 14.363 4.594 -5.238 1.00 . A A . 45 SER C 1 1 12 6305 1 1 1 SER CA C 13.764 4.905 -6.614 1.00 . A A . 45 SER CA 1 1 12 6306 1 1 1 SER CB C 12.447 4.152 -6.806 1.00 . A A . 45 SER CB 1 1 12 6307 1 1 1 SER H1 H 15.651 4.521 -7.407 1.00 . A A . 45 SER H1 1 1 12 6308 1 1 1 SER H2 H 14.469 3.386 -7.854 1.00 . A A . 45 SER H2 1 1 12 6309 1 1 1 SER H3 H 14.485 4.928 -8.567 1.00 . A A . 45 SER H3 1 1 12 6310 1 1 1 SER HA H 13.603 5.965 -6.725 1.00 . A A . 45 SER HA 1 1 12 6311 1 1 1 SER HB2 H 12.601 3.102 -6.625 1.00 . A A . 45 SER HB2 1 1 12 6312 1 1 1 SER HB3 H 11.712 4.532 -6.109 1.00 . A A . 45 SER HB3 1 1 12 6313 1 1 1 SER HG H 11.311 3.683 -8.314 1.00 . A A . 45 SER HG 1 1 12 6314 1 1 1 SER N N 14.660 4.397 -7.692 1.00 . A A . 45 SER N 1 1 12 6315 1 1 1 SER O O 15.559 4.668 -5.041 1.00 . A A . 45 SER O 1 1 12 6316 1 1 1 SER OG O 11.993 4.335 -8.141 1.00 . A A . 45 SER OG 1 1 12 6317 1 1 2 ASP C C 14.050 2.423 -2.690 1.00 . A A . 46 ASP C 1 1 12 6318 1 1 2 ASP CA C 14.062 3.935 -2.926 1.00 . A A . 46 ASP CA 1 1 12 6319 1 1 2 ASP CB C 13.103 4.636 -1.962 1.00 . A A . 46 ASP CB 1 1 12 6320 1 1 2 ASP CG C 13.088 6.137 -2.257 1.00 . A A . 46 ASP CG 1 1 12 6321 1 1 2 ASP H H 12.577 4.197 -4.466 1.00 . A A . 46 ASP H 1 1 12 6322 1 1 2 ASP HA H 15.058 4.329 -2.805 1.00 . A A . 46 ASP HA 1 1 12 6323 1 1 2 ASP HB2 H 12.108 4.234 -2.089 1.00 . A A . 46 ASP HB2 1 1 12 6324 1 1 2 ASP HB3 H 13.431 4.473 -0.947 1.00 . A A . 46 ASP HB3 1 1 12 6325 1 1 2 ASP N N 13.539 4.249 -4.287 1.00 . A A . 46 ASP N 1 1 12 6326 1 1 2 ASP O O 13.797 1.646 -3.590 1.00 . A A . 46 ASP O 1 1 12 6327 1 1 2 ASP OD1 O 12.324 6.545 -3.116 1.00 . A A . 46 ASP OD1 1 1 12 6328 1 1 2 ASP OD2 O 13.842 6.854 -1.619 1.00 . A A . 46 ASP OD2 1 1 12 6329 1 1 3 GLY C C 13.082 0.175 -0.381 1.00 . A A . 47 GLY C 1 1 12 6330 1 1 3 GLY CA C 14.325 0.537 -1.194 1.00 . A A . 47 GLY CA 1 1 12 6331 1 1 3 GLY H H 14.522 2.641 -0.774 1.00 . A A . 47 GLY H 1 1 12 6332 1 1 3 GLY HA2 H 14.324 -0.015 -2.123 1.00 . A A . 47 GLY HA2 1 1 12 6333 1 1 3 GLY HA3 H 15.208 0.286 -0.627 1.00 . A A . 47 GLY HA3 1 1 12 6334 1 1 3 GLY N N 14.321 1.999 -1.486 1.00 . A A . 47 GLY N 1 1 12 6335 1 1 3 GLY O O 12.552 -0.913 -0.490 1.00 . A A . 47 GLY O 1 1 12 6336 1 1 4 ASP C C 10.158 0.721 0.359 1.00 . A A . 48 ASP C 1 1 12 6337 1 1 4 ASP CA C 11.399 0.786 1.254 1.00 . A A . 48 ASP CA 1 1 12 6338 1 1 4 ASP CB C 11.294 1.954 2.234 1.00 . A A . 48 ASP CB 1 1 12 6339 1 1 4 ASP CG C 12.603 2.087 3.014 1.00 . A A . 48 ASP CG 1 1 12 6340 1 1 4 ASP H H 13.052 1.950 0.506 1.00 . A A . 48 ASP H 1 1 12 6341 1 1 4 ASP HA H 11.525 -0.139 1.794 1.00 . A A . 48 ASP HA 1 1 12 6342 1 1 4 ASP HB2 H 11.105 2.867 1.687 1.00 . A A . 48 ASP HB2 1 1 12 6343 1 1 4 ASP HB3 H 10.483 1.774 2.924 1.00 . A A . 48 ASP HB3 1 1 12 6344 1 1 4 ASP N N 12.610 1.079 0.433 1.00 . A A . 48 ASP N 1 1 12 6345 1 1 4 ASP O O 9.145 0.166 0.736 1.00 . A A . 48 ASP O 1 1 12 6346 1 1 4 ASP OD1 O 13.431 1.199 2.898 1.00 . A A . 48 ASP OD1 1 1 12 6347 1 1 4 ASP OD2 O 12.755 3.074 3.715 1.00 . A A . 48 ASP OD2 1 1 12 6348 1 1 5 GLN C C 7.939 2.194 -1.347 1.00 . A A . 49 GLN C 1 1 12 6349 1 1 5 GLN CA C 9.097 1.276 -1.788 1.00 . A A . 49 GLN CA 1 1 12 6350 1 1 5 GLN CB C 8.645 -0.178 -1.876 1.00 . A A . 49 GLN CB 1 1 12 6351 1 1 5 GLN CD C 9.767 -2.151 -2.911 1.00 . A A . 49 GLN CD 1 1 12 6352 1 1 5 GLN CG C 9.174 -0.767 -3.179 1.00 . A A . 49 GLN CG 1 1 12 6353 1 1 5 GLN H H 11.080 1.710 -1.090 1.00 . A A . 49 GLN H 1 1 12 6354 1 1 5 GLN HA H 9.446 1.589 -2.757 1.00 . A A . 49 GLN HA 1 1 12 6355 1 1 5 GLN HB2 H 9.043 -0.738 -1.045 1.00 . A A . 49 GLN HB2 1 1 12 6356 1 1 5 GLN HB3 H 7.567 -0.224 -1.866 1.00 . A A . 49 GLN HB3 1 1 12 6357 1 1 5 GLN HE21 H 10.707 -1.578 -1.256 1.00 . A A . 49 GLN HE21 1 1 12 6358 1 1 5 GLN HE22 H 10.911 -3.216 -1.683 1.00 . A A . 49 GLN HE22 1 1 12 6359 1 1 5 GLN HG2 H 8.369 -0.848 -3.894 1.00 . A A . 49 GLN HG2 1 1 12 6360 1 1 5 GLN HG3 H 9.945 -0.119 -3.572 1.00 . A A . 49 GLN HG3 1 1 12 6361 1 1 5 GLN N N 10.244 1.285 -0.824 1.00 . A A . 49 GLN N 1 1 12 6362 1 1 5 GLN NE2 N 10.524 -2.330 -1.864 1.00 . A A . 49 GLN NE2 1 1 12 6363 1 1 5 GLN O O 7.203 2.695 -2.174 1.00 . A A . 49 GLN O 1 1 12 6364 1 1 5 GLN OE1 O 9.540 -3.078 -3.664 1.00 . A A . 49 GLN OE1 1 1 12 6365 1 1 6 CYS C C 7.063 4.783 0.240 1.00 . A A . 50 CYS C 1 1 12 6366 1 1 6 CYS CA C 6.647 3.314 0.366 1.00 . A A . 50 CYS CA 1 1 12 6367 1 1 6 CYS CB C 6.406 2.947 1.831 1.00 . A A . 50 CYS CB 1 1 12 6368 1 1 6 CYS H H 8.350 2.028 0.584 1.00 . A A . 50 CYS H 1 1 12 6369 1 1 6 CYS HA H 5.759 3.122 -0.214 1.00 . A A . 50 CYS HA 1 1 12 6370 1 1 6 CYS HB2 H 6.060 1.926 1.893 1.00 . A A . 50 CYS HB2 1 1 12 6371 1 1 6 CYS HB3 H 7.327 3.050 2.384 1.00 . A A . 50 CYS HB3 1 1 12 6372 1 1 6 CYS N N 7.761 2.427 -0.076 1.00 . A A . 50 CYS N 1 1 12 6373 1 1 6 CYS O O 6.371 5.675 0.689 1.00 . A A . 50 CYS O 1 1 12 6374 1 1 6 CYS SG S 5.156 4.051 2.532 1.00 . A A . 50 CYS SG 1 1 12 6375 1 1 7 ALA C C 7.639 7.245 -1.355 1.00 . A A . 51 ALA C 1 1 12 6376 1 1 7 ALA CA C 8.647 6.451 -0.519 1.00 . A A . 51 ALA CA 1 1 12 6377 1 1 7 ALA CB C 9.989 6.354 -1.245 1.00 . A A . 51 ALA CB 1 1 12 6378 1 1 7 ALA H H 8.734 4.307 -0.720 1.00 . A A . 51 ALA H 1 1 12 6379 1 1 7 ALA HA H 8.782 6.910 0.447 1.00 . A A . 51 ALA HA 1 1 12 6380 1 1 7 ALA HB1 H 10.581 5.565 -0.803 1.00 . A A . 51 ALA HB1 1 1 12 6381 1 1 7 ALA HB2 H 9.820 6.135 -2.288 1.00 . A A . 51 ALA HB2 1 1 12 6382 1 1 7 ALA HB3 H 10.516 7.292 -1.154 1.00 . A A . 51 ALA HB3 1 1 12 6383 1 1 7 ALA N N 8.189 5.040 -0.366 1.00 . A A . 51 ALA N 1 1 12 6384 1 1 7 ALA O O 7.594 8.458 -1.304 1.00 . A A . 51 ALA O 1 1 12 6385 1 1 8 SER C C 4.427 7.123 -2.360 1.00 . A A . 52 SER C 1 1 12 6386 1 1 8 SER CA C 5.825 7.285 -2.962 1.00 . A A . 52 SER CA 1 1 12 6387 1 1 8 SER CB C 5.900 6.612 -4.332 1.00 . A A . 52 SER CB 1 1 12 6388 1 1 8 SER H H 6.882 5.590 -2.151 1.00 . A A . 52 SER H 1 1 12 6389 1 1 8 SER HA H 6.081 8.329 -3.048 1.00 . A A . 52 SER HA 1 1 12 6390 1 1 8 SER HB2 H 6.799 6.024 -4.398 1.00 . A A . 52 SER HB2 1 1 12 6391 1 1 8 SER HB3 H 5.040 5.966 -4.462 1.00 . A A . 52 SER HB3 1 1 12 6392 1 1 8 SER HG H 5.470 8.387 -5.001 1.00 . A A . 52 SER HG 1 1 12 6393 1 1 8 SER N N 6.830 6.569 -2.125 1.00 . A A . 52 SER N 1 1 12 6394 1 1 8 SER O O 3.467 7.705 -2.826 1.00 . A A . 52 SER O 1 1 12 6395 1 1 8 SER OG O 5.916 7.610 -5.344 1.00 . A A . 52 SER OG 1 1 12 6396 1 1 9 SER C C 2.037 5.380 -1.641 1.00 . A A . 53 SER C 1 1 12 6397 1 1 9 SER CA C 2.968 6.136 -0.691 1.00 . A A . 53 SER CA 1 1 12 6398 1 1 9 SER CB C 2.438 7.545 -0.427 1.00 . A A . 53 SER CB 1 1 12 6399 1 1 9 SER H H 5.090 5.876 -0.965 1.00 . A A . 53 SER H 1 1 12 6400 1 1 9 SER HA H 3.071 5.601 0.241 1.00 . A A . 53 SER HA 1 1 12 6401 1 1 9 SER HB2 H 1.989 7.936 -1.324 1.00 . A A . 53 SER HB2 1 1 12 6402 1 1 9 SER HB3 H 1.694 7.506 0.359 1.00 . A A . 53 SER HB3 1 1 12 6403 1 1 9 SER HG H 3.567 8.375 0.922 1.00 . A A . 53 SER HG 1 1 12 6404 1 1 9 SER N N 4.304 6.336 -1.325 1.00 . A A . 53 SER N 1 1 12 6405 1 1 9 SER O O 1.105 5.946 -2.178 1.00 . A A . 53 SER O 1 1 12 6406 1 1 9 SER OG O 3.515 8.386 -0.036 1.00 . A A . 53 SER OG 1 1 12 6407 1 1 10 PRO C C 0.057 3.217 -2.210 1.00 . A A . 54 PRO C 1 1 12 6408 1 1 10 PRO CA C 1.504 3.270 -2.710 1.00 . A A . 54 PRO CA 1 1 12 6409 1 1 10 PRO CB C 2.160 1.890 -2.624 1.00 . A A . 54 PRO CB 1 1 12 6410 1 1 10 PRO CD C 3.425 3.378 -1.204 1.00 . A A . 54 PRO CD 1 1 12 6411 1 1 10 PRO CG C 3.501 2.109 -2.001 1.00 . A A . 54 PRO CG 1 1 12 6412 1 1 10 PRO HA H 1.543 3.635 -3.724 1.00 . A A . 54 PRO HA 1 1 12 6413 1 1 10 PRO HB2 H 1.564 1.229 -2.012 1.00 . A A . 54 PRO HB2 1 1 12 6414 1 1 10 PRO HB3 H 2.285 1.479 -3.609 1.00 . A A . 54 PRO HB3 1 1 12 6415 1 1 10 PRO HD2 H 3.209 3.158 -0.170 1.00 . A A . 54 PRO HD2 1 1 12 6416 1 1 10 PRO HD3 H 4.343 3.934 -1.294 1.00 . A A . 54 PRO HD3 1 1 12 6417 1 1 10 PRO HG2 H 3.742 1.278 -1.351 1.00 . A A . 54 PRO HG2 1 1 12 6418 1 1 10 PRO HG3 H 4.253 2.206 -2.768 1.00 . A A . 54 PRO HG3 1 1 12 6419 1 1 10 PRO N N 2.324 4.120 -1.817 1.00 . A A . 54 PRO N 1 1 12 6420 1 1 10 PRO O O -0.859 3.640 -2.886 1.00 . A A . 54 PRO O 1 1 12 6421 1 1 11 CYS C C -2.205 4.009 -0.544 1.00 . A A . 55 CYS C 1 1 12 6422 1 1 11 CYS CA C -1.543 2.628 -0.484 1.00 . A A . 55 CYS CA 1 1 12 6423 1 1 11 CYS CB C -1.372 2.182 0.968 1.00 . A A . 55 CYS CB 1 1 12 6424 1 1 11 CYS H H 0.598 2.369 -0.497 1.00 . A A . 55 CYS H 1 1 12 6425 1 1 11 CYS HA H -2.126 1.903 -1.030 1.00 . A A . 55 CYS HA 1 1 12 6426 1 1 11 CYS HB2 H -0.412 1.705 1.089 1.00 . A A . 55 CYS HB2 1 1 12 6427 1 1 11 CYS HB3 H -1.428 3.047 1.615 1.00 . A A . 55 CYS HB3 1 1 12 6428 1 1 11 CYS N N -0.155 2.703 -1.028 1.00 . A A . 55 CYS N 1 1 12 6429 1 1 11 CYS O O -1.552 5.027 -0.430 1.00 . A A . 55 CYS O 1 1 12 6430 1 1 11 CYS SG S -2.686 1.018 1.420 1.00 . A A . 55 CYS SG 1 1 12 6431 1 1 12 GLN C C -5.510 5.292 0.009 1.00 . A A . 56 GLN C 1 1 12 6432 1 1 12 GLN CA C -4.204 5.356 -0.786 1.00 . A A . 56 GLN CA 1 1 12 6433 1 1 12 GLN CB C -4.496 5.576 -2.270 1.00 . A A . 56 GLN CB 1 1 12 6434 1 1 12 GLN CD C -3.431 5.461 -4.526 1.00 . A A . 56 GLN CD 1 1 12 6435 1 1 12 GLN CG C -3.179 5.689 -3.035 1.00 . A A . 56 GLN CG 1 1 12 6436 1 1 12 GLN H H -3.999 3.220 -0.807 1.00 . A A . 56 GLN H 1 1 12 6437 1 1 12 GLN HA H -3.573 6.144 -0.413 1.00 . A A . 56 GLN HA 1 1 12 6438 1 1 12 GLN HB2 H -5.065 4.741 -2.652 1.00 . A A . 56 GLN HB2 1 1 12 6439 1 1 12 GLN HB3 H -5.062 6.486 -2.396 1.00 . A A . 56 GLN HB3 1 1 12 6440 1 1 12 GLN HE21 H -3.873 3.536 -4.298 1.00 . A A . 56 GLN HE21 1 1 12 6441 1 1 12 GLN HE22 H -3.942 4.118 -5.900 1.00 . A A . 56 GLN HE22 1 1 12 6442 1 1 12 GLN HG2 H -2.760 6.674 -2.884 1.00 . A A . 56 GLN HG2 1 1 12 6443 1 1 12 GLN HG3 H -2.488 4.944 -2.670 1.00 . A A . 56 GLN HG3 1 1 12 6444 1 1 12 GLN N N -3.496 4.049 -0.719 1.00 . A A . 56 GLN N 1 1 12 6445 1 1 12 GLN NE2 N -3.778 4.273 -4.942 1.00 . A A . 56 GLN NE2 1 1 12 6446 1 1 12 GLN O O -5.807 4.307 0.655 1.00 . A A . 56 GLN O 1 1 12 6447 1 1 12 GLN OE1 O -3.311 6.372 -5.320 1.00 . A A . 56 GLN OE1 1 1 12 6448 1 1 13 ASN C C -7.330 6.035 2.195 1.00 . A A . 57 ASN C 1 1 12 6449 1 1 13 ASN CA C -7.579 6.335 0.714 1.00 . A A . 57 ASN CA 1 1 12 6450 1 1 13 ASN CB C -8.411 5.225 0.074 1.00 . A A . 57 ASN CB 1 1 12 6451 1 1 13 ASN CG C -8.440 5.420 -1.444 1.00 . A A . 57 ASN CG 1 1 12 6452 1 1 13 ASN H H -6.031 7.117 -0.565 1.00 . A A . 57 ASN H 1 1 12 6453 1 1 13 ASN HA H -8.078 7.283 0.601 1.00 . A A . 57 ASN HA 1 1 12 6454 1 1 13 ASN HB2 H -7.973 4.265 0.306 1.00 . A A . 57 ASN HB2 1 1 12 6455 1 1 13 ASN HB3 H -9.420 5.262 0.458 1.00 . A A . 57 ASN HB3 1 1 12 6456 1 1 13 ASN HD21 H -7.901 3.547 -1.834 1.00 . A A . 57 ASN HD21 1 1 12 6457 1 1 13 ASN HD22 H -8.155 4.535 -3.201 1.00 . A A . 57 ASN HD22 1 1 12 6458 1 1 13 ASN N N -6.290 6.334 -0.036 1.00 . A A . 57 ASN N 1 1 12 6459 1 1 13 ASN ND2 N -8.141 4.418 -2.224 1.00 . A A . 57 ASN ND2 1 1 12 6460 1 1 13 ASN O O -8.080 5.319 2.829 1.00 . A A . 57 ASN O 1 1 12 6461 1 1 13 ASN OD1 O -8.738 6.496 -1.924 1.00 . A A . 57 ASN OD1 1 1 12 6462 1 1 14 GLY C C -5.406 4.936 4.370 1.00 . A A . 58 GLY C 1 1 12 6463 1 1 14 GLY CA C -5.990 6.339 4.191 1.00 . A A . 58 GLY CA 1 1 12 6464 1 1 14 GLY H H -5.698 7.163 2.221 1.00 . A A . 58 GLY H 1 1 12 6465 1 1 14 GLY HA2 H -5.278 7.074 4.540 1.00 . A A . 58 GLY HA2 1 1 12 6466 1 1 14 GLY HA3 H -6.901 6.421 4.763 1.00 . A A . 58 GLY HA3 1 1 12 6467 1 1 14 GLY N N -6.286 6.585 2.750 1.00 . A A . 58 GLY N 1 1 12 6468 1 1 14 GLY O O -5.427 4.381 5.451 1.00 . A A . 58 GLY O 1 1 12 6469 1 1 15 GLY C C -2.814 3.109 3.826 1.00 . A A . 59 GLY C 1 1 12 6470 1 1 15 GLY CA C -4.294 2.993 3.450 1.00 . A A . 59 GLY CA 1 1 12 6471 1 1 15 GLY H H -4.867 4.820 2.460 1.00 . A A . 59 GLY H 1 1 12 6472 1 1 15 GLY HA2 H -4.821 2.445 4.221 1.00 . A A . 59 GLY HA2 1 1 12 6473 1 1 15 GLY HA3 H -4.385 2.472 2.508 1.00 . A A . 59 GLY HA3 1 1 12 6474 1 1 15 GLY N N -4.879 4.357 3.325 1.00 . A A . 59 GLY N 1 1 12 6475 1 1 15 GLY O O -2.115 3.988 3.365 1.00 . A A . 59 GLY O 1 1 12 6476 1 1 16 SER C C -0.019 1.577 4.043 1.00 . A A . 60 SER C 1 1 12 6477 1 1 16 SER CA C -0.898 2.296 5.071 1.00 . A A . 60 SER CA 1 1 12 6478 1 1 16 SER CB C -0.836 1.580 6.419 1.00 . A A . 60 SER CB 1 1 12 6479 1 1 16 SER H H -2.912 1.530 5.027 1.00 . A A . 60 SER H 1 1 12 6480 1 1 16 SER HA H -0.584 3.321 5.184 1.00 . A A . 60 SER HA 1 1 12 6481 1 1 16 SER HB2 H -1.819 1.552 6.859 1.00 . A A . 60 SER HB2 1 1 12 6482 1 1 16 SER HB3 H -0.481 0.568 6.273 1.00 . A A . 60 SER HB3 1 1 12 6483 1 1 16 SER HG H 0.200 1.738 8.059 1.00 . A A . 60 SER HG 1 1 12 6484 1 1 16 SER N N -2.332 2.230 4.664 1.00 . A A . 60 SER N 1 1 12 6485 1 1 16 SER O O -0.503 1.025 3.078 1.00 . A A . 60 SER O 1 1 12 6486 1 1 16 SER OG O 0.044 2.284 7.285 1.00 . A A . 60 SER OG 1 1 12 6487 1 1 17 CYS C C 3.169 0.005 4.016 1.00 . A A . 61 CYS C 1 1 12 6488 1 1 17 CYS CA C 2.175 0.898 3.270 1.00 . A A . 61 CYS CA 1 1 12 6489 1 1 17 CYS CB C 2.906 2.028 2.548 1.00 . A A . 61 CYS CB 1 1 12 6490 1 1 17 CYS H H 1.644 2.034 5.024 1.00 . A A . 61 CYS H 1 1 12 6491 1 1 17 CYS HA H 1.602 0.318 2.563 1.00 . A A . 61 CYS HA 1 1 12 6492 1 1 17 CYS HB2 H 3.472 1.622 1.722 1.00 . A A . 61 CYS HB2 1 1 12 6493 1 1 17 CYS HB3 H 2.188 2.743 2.176 1.00 . A A . 61 CYS HB3 1 1 12 6494 1 1 17 CYS N N 1.270 1.581 4.240 1.00 . A A . 61 CYS N 1 1 12 6495 1 1 17 CYS O O 3.725 0.391 5.025 1.00 . A A . 61 CYS O 1 1 12 6496 1 1 17 CYS SG S 4.033 2.849 3.703 1.00 . A A . 61 CYS SG 1 1 12 6497 1 1 18 LYS C C 5.594 -2.325 3.352 1.00 . A A . 62 LYS C 1 1 12 6498 1 1 18 LYS CA C 4.358 -2.092 4.222 1.00 . A A . 62 LYS CA 1 1 12 6499 1 1 18 LYS CB C 3.594 -3.399 4.416 1.00 . A A . 62 LYS CB 1 1 12 6500 1 1 18 LYS CD C 3.395 -4.569 6.607 1.00 . A A . 62 LYS CD 1 1 12 6501 1 1 18 LYS CE C 4.218 -5.047 7.806 1.00 . A A . 62 LYS CE 1 1 12 6502 1 1 18 LYS CG C 4.326 -4.274 5.432 1.00 . A A . 62 LYS CG 1 1 12 6503 1 1 18 LYS H H 2.940 -1.483 2.715 1.00 . A A . 62 LYS H 1 1 12 6504 1 1 18 LYS HA H 4.640 -1.686 5.180 1.00 . A A . 62 LYS HA 1 1 12 6505 1 1 18 LYS HB2 H 2.597 -3.183 4.776 1.00 . A A . 62 LYS HB2 1 1 12 6506 1 1 18 LYS HB3 H 3.531 -3.919 3.475 1.00 . A A . 62 LYS HB3 1 1 12 6507 1 1 18 LYS HD2 H 2.858 -3.670 6.872 1.00 . A A . 62 LYS HD2 1 1 12 6508 1 1 18 LYS HD3 H 2.692 -5.339 6.325 1.00 . A A . 62 LYS HD3 1 1 12 6509 1 1 18 LYS HE2 H 5.253 -4.751 7.691 1.00 . A A . 62 LYS HE2 1 1 12 6510 1 1 18 LYS HE3 H 3.811 -4.653 8.723 1.00 . A A . 62 LYS HE3 1 1 12 6511 1 1 18 LYS HG2 H 4.621 -5.201 4.961 1.00 . A A . 62 LYS HG2 1 1 12 6512 1 1 18 LYS HG3 H 5.202 -3.756 5.790 1.00 . A A . 62 LYS HG3 1 1 12 6513 1 1 18 LYS HZ1 H 3.937 -6.856 6.814 1.00 . A A . 62 LYS HZ1 1 1 12 6514 1 1 18 LYS HZ2 H 4.972 -6.956 8.153 1.00 . A A . 62 LYS HZ2 1 1 12 6515 1 1 18 LYS HZ3 H 3.294 -6.819 8.386 1.00 . A A . 62 LYS HZ3 1 1 12 6516 1 1 18 LYS N N 3.398 -1.186 3.531 1.00 . A A . 62 LYS N 1 1 12 6517 1 1 18 LYS NZ N 4.096 -6.531 7.789 1.00 . A A . 62 LYS NZ 1 1 12 6518 1 1 18 LYS O O 5.503 -2.440 2.147 1.00 . A A . 62 LYS O 1 1 12 6519 1 1 19 ASP C C 8.498 -4.057 3.396 1.00 . A A . 63 ASP C 1 1 12 6520 1 1 19 ASP CA C 7.988 -2.633 3.163 1.00 . A A . 63 ASP CA 1 1 12 6521 1 1 19 ASP CB C 8.993 -1.609 3.691 1.00 . A A . 63 ASP CB 1 1 12 6522 1 1 19 ASP CG C 10.333 -1.794 2.977 1.00 . A A . 63 ASP CG 1 1 12 6523 1 1 19 ASP H H 6.797 -2.311 4.929 1.00 . A A . 63 ASP H 1 1 12 6524 1 1 19 ASP HA H 7.804 -2.463 2.114 1.00 . A A . 63 ASP HA 1 1 12 6525 1 1 19 ASP HB2 H 8.621 -0.612 3.506 1.00 . A A . 63 ASP HB2 1 1 12 6526 1 1 19 ASP HB3 H 9.130 -1.753 4.752 1.00 . A A . 63 ASP HB3 1 1 12 6527 1 1 19 ASP N N 6.747 -2.401 3.955 1.00 . A A . 63 ASP N 1 1 12 6528 1 1 19 ASP O O 9.030 -4.371 4.442 1.00 . A A . 63 ASP O 1 1 12 6529 1 1 19 ASP OD1 O 10.317 -2.052 1.785 1.00 . A A . 63 ASP OD1 1 1 12 6530 1 1 19 ASP OD2 O 11.354 -1.676 3.636 1.00 . A A . 63 ASP OD2 1 1 12 6531 1 1 20 GLN C C 10.034 -6.583 1.716 1.00 . A A . 64 GLN C 1 1 12 6532 1 1 20 GLN CA C 8.817 -6.326 2.607 1.00 . A A . 64 GLN CA 1 1 12 6533 1 1 20 GLN CB C 7.652 -7.256 2.200 1.00 . A A . 64 GLN CB 1 1 12 6534 1 1 20 GLN CD C 5.190 -7.370 1.765 1.00 . A A . 64 GLN CD 1 1 12 6535 1 1 20 GLN CG C 6.416 -6.454 1.768 1.00 . A A . 64 GLN CG 1 1 12 6536 1 1 20 GLN H H 7.908 -4.651 1.595 1.00 . A A . 64 GLN H 1 1 12 6537 1 1 20 GLN HA H 9.074 -6.501 3.640 1.00 . A A . 64 GLN HA 1 1 12 6538 1 1 20 GLN HB2 H 7.971 -7.880 1.378 1.00 . A A . 64 GLN HB2 1 1 12 6539 1 1 20 GLN HB3 H 7.393 -7.883 3.040 1.00 . A A . 64 GLN HB3 1 1 12 6540 1 1 20 GLN HE21 H 5.179 -7.590 3.742 1.00 . A A . 64 GLN HE21 1 1 12 6541 1 1 20 GLN HE22 H 3.946 -8.423 2.904 1.00 . A A . 64 GLN HE22 1 1 12 6542 1 1 20 GLN HG2 H 6.254 -5.639 2.460 1.00 . A A . 64 GLN HG2 1 1 12 6543 1 1 20 GLN HG3 H 6.570 -6.060 0.776 1.00 . A A . 64 GLN HG3 1 1 12 6544 1 1 20 GLN N N 8.339 -4.922 2.432 1.00 . A A . 64 GLN N 1 1 12 6545 1 1 20 GLN NE2 N 4.734 -7.833 2.897 1.00 . A A . 64 GLN NE2 1 1 12 6546 1 1 20 GLN O O 10.427 -5.746 0.926 1.00 . A A . 64 GLN O 1 1 12 6547 1 1 20 GLN OE1 O 4.643 -7.668 0.723 1.00 . A A . 64 GLN OE1 1 1 12 6548 1 1 21 LEU C C 11.484 -8.004 -0.473 1.00 . A A . 65 LEU C 1 1 12 6549 1 1 21 LEU CA C 11.834 -8.050 1.012 1.00 . A A . 65 LEU CA 1 1 12 6550 1 1 21 LEU CB C 12.232 -9.468 1.422 1.00 . A A . 65 LEU CB 1 1 12 6551 1 1 21 LEU CD1 C 12.309 -9.863 3.888 1.00 . A A . 65 LEU CD1 1 1 12 6552 1 1 21 LEU CD2 C 14.320 -10.333 2.485 1.00 . A A . 65 LEU CD2 1 1 12 6553 1 1 21 LEU CG C 13.114 -9.410 2.670 1.00 . A A . 65 LEU CG 1 1 12 6554 1 1 21 LEU H H 10.302 -8.388 2.489 1.00 . A A . 65 LEU H 1 1 12 6555 1 1 21 LEU HA H 12.631 -7.372 1.225 1.00 . A A . 65 LEU HA 1 1 12 6556 1 1 21 LEU HB2 H 11.343 -10.044 1.636 1.00 . A A . 65 LEU HB2 1 1 12 6557 1 1 21 LEU HB3 H 12.781 -9.935 0.619 1.00 . A A . 65 LEU HB3 1 1 12 6558 1 1 21 LEU HD11 H 11.628 -10.649 3.596 1.00 . A A . 65 LEU HD11 1 1 12 6559 1 1 21 LEU HD12 H 12.981 -10.234 4.647 1.00 . A A . 65 LEU HD12 1 1 12 6560 1 1 21 LEU HD13 H 11.748 -9.029 4.281 1.00 . A A . 65 LEU HD13 1 1 12 6561 1 1 21 LEU HD21 H 13.978 -11.345 2.326 1.00 . A A . 65 LEU HD21 1 1 12 6562 1 1 21 LEU HD22 H 14.894 -10.008 1.629 1.00 . A A . 65 LEU HD22 1 1 12 6563 1 1 21 LEU HD23 H 14.941 -10.297 3.368 1.00 . A A . 65 LEU HD23 1 1 12 6564 1 1 21 LEU HG H 13.455 -8.395 2.822 1.00 . A A . 65 LEU HG 1 1 12 6565 1 1 21 LEU N N 10.637 -7.732 1.843 1.00 . A A . 65 LEU N 1 1 12 6566 1 1 21 LEU O O 11.822 -7.073 -1.176 1.00 . A A . 65 LEU O 1 1 12 6567 1 1 22 GLN C C 10.025 -7.679 -2.886 1.00 . A A . 66 GLN C 1 1 12 6568 1 1 22 GLN CA C 10.438 -9.066 -2.387 1.00 . A A . 66 GLN CA 1 1 12 6569 1 1 22 GLN CB C 9.253 -10.031 -2.447 1.00 . A A . 66 GLN CB 1 1 12 6570 1 1 22 GLN CD C 6.972 -10.521 -1.552 1.00 . A A . 66 GLN CD 1 1 12 6571 1 1 22 GLN CG C 8.167 -9.569 -1.474 1.00 . A A . 66 GLN CG 1 1 12 6572 1 1 22 GLN H H 10.575 -9.743 -0.345 1.00 . A A . 66 GLN H 1 1 12 6573 1 1 22 GLN HA H 11.254 -9.450 -2.977 1.00 . A A . 66 GLN HA 1 1 12 6574 1 1 22 GLN HB2 H 8.855 -10.050 -3.451 1.00 . A A . 66 GLN HB2 1 1 12 6575 1 1 22 GLN HB3 H 9.582 -11.022 -2.172 1.00 . A A . 66 GLN HB3 1 1 12 6576 1 1 22 GLN HE21 H 7.289 -11.292 0.251 1.00 . A A . 66 GLN HE21 1 1 12 6577 1 1 22 GLN HE22 H 5.955 -11.925 -0.586 1.00 . A A . 66 GLN HE22 1 1 12 6578 1 1 22 GLN HG2 H 8.562 -9.566 -0.469 1.00 . A A . 66 GLN HG2 1 1 12 6579 1 1 22 GLN HG3 H 7.848 -8.572 -1.738 1.00 . A A . 66 GLN HG3 1 1 12 6580 1 1 22 GLN N N 10.820 -9.012 -0.945 1.00 . A A . 66 GLN N 1 1 12 6581 1 1 22 GLN NE2 N 6.717 -11.312 -0.546 1.00 . A A . 66 GLN NE2 1 1 12 6582 1 1 22 GLN O O 10.341 -7.289 -3.993 1.00 . A A . 66 GLN O 1 1 12 6583 1 1 22 GLN OE1 O 6.265 -10.547 -2.539 1.00 . A A . 66 GLN OE1 1 1 12 6584 1 1 23 SER C C 8.151 -4.861 -1.369 1.00 . A A . 67 SER C 1 1 12 6585 1 1 23 SER CA C 8.896 -5.570 -2.511 1.00 . A A . 67 SER CA 1 1 12 6586 1 1 23 SER CB C 7.976 -5.810 -3.708 1.00 . A A . 67 SER CB 1 1 12 6587 1 1 23 SER H H 9.083 -7.265 -1.190 1.00 . A A . 67 SER H 1 1 12 6588 1 1 23 SER HA H 9.751 -4.989 -2.817 1.00 . A A . 67 SER HA 1 1 12 6589 1 1 23 SER HB2 H 8.471 -6.441 -4.427 1.00 . A A . 67 SER HB2 1 1 12 6590 1 1 23 SER HB3 H 7.069 -6.296 -3.371 1.00 . A A . 67 SER HB3 1 1 12 6591 1 1 23 SER HG H 6.732 -4.576 -4.553 1.00 . A A . 67 SER HG 1 1 12 6592 1 1 23 SER N N 9.325 -6.932 -2.079 1.00 . A A . 67 SER N 1 1 12 6593 1 1 23 SER O O 8.722 -4.576 -0.335 1.00 . A A . 67 SER O 1 1 12 6594 1 1 23 SER OG O 7.663 -4.565 -4.317 1.00 . A A . 67 SER OG 1 1 12 6595 1 1 24 TYR C C 4.628 -4.139 -0.626 1.00 . A A . 68 TYR C 1 1 12 6596 1 1 24 TYR CA C 6.126 -3.885 -0.456 1.00 . A A . 68 TYR CA 1 1 12 6597 1 1 24 TYR CB C 6.446 -2.402 -0.629 1.00 . A A . 68 TYR CB 1 1 12 6598 1 1 24 TYR CD1 C 6.460 -1.948 -3.108 1.00 . A A . 68 TYR CD1 1 1 12 6599 1 1 24 TYR CD2 C 4.495 -1.342 -1.823 1.00 . A A . 68 TYR CD2 1 1 12 6600 1 1 24 TYR CE1 C 5.847 -1.469 -4.273 1.00 . A A . 68 TYR CE1 1 1 12 6601 1 1 24 TYR CE2 C 3.882 -0.863 -2.988 1.00 . A A . 68 TYR CE2 1 1 12 6602 1 1 24 TYR CG C 5.785 -1.886 -1.884 1.00 . A A . 68 TYR CG 1 1 12 6603 1 1 24 TYR CZ C 4.558 -0.927 -4.211 1.00 . A A . 68 TYR CZ 1 1 12 6604 1 1 24 TYR H H 6.434 -4.806 -2.376 1.00 . A A . 68 TYR H 1 1 12 6605 1 1 24 TYR HA H 6.458 -4.223 0.511 1.00 . A A . 68 TYR HA 1 1 12 6606 1 1 24 TYR HB2 H 6.078 -1.851 0.225 1.00 . A A . 68 TYR HB2 1 1 12 6607 1 1 24 TYR HB3 H 7.515 -2.275 -0.705 1.00 . A A . 68 TYR HB3 1 1 12 6608 1 1 24 TYR HD1 H 7.454 -2.366 -3.156 1.00 . A A . 68 TYR HD1 1 1 12 6609 1 1 24 TYR HD2 H 3.974 -1.293 -0.879 1.00 . A A . 68 TYR HD2 1 1 12 6610 1 1 24 TYR HE1 H 6.369 -1.519 -5.216 1.00 . A A . 68 TYR HE1 1 1 12 6611 1 1 24 TYR HE2 H 2.888 -0.445 -2.940 1.00 . A A . 68 TYR HE2 1 1 12 6612 1 1 24 TYR HH H 3.009 -0.612 -5.283 1.00 . A A . 68 TYR HH 1 1 12 6613 1 1 24 TYR N N 6.886 -4.572 -1.539 1.00 . A A . 68 TYR N 1 1 12 6614 1 1 24 TYR O O 4.136 -4.290 -1.727 1.00 . A A . 68 TYR O 1 1 12 6615 1 1 24 TYR OH O 3.953 -0.455 -5.359 1.00 . A A . 68 TYR OH 1 1 12 6616 1 1 25 ILE C C 1.656 -3.432 1.180 1.00 . A A . 69 ILE C 1 1 12 6617 1 1 25 ILE CA C 2.440 -4.454 0.351 1.00 . A A . 69 ILE CA 1 1 12 6618 1 1 25 ILE CB C 2.260 -5.860 0.910 1.00 . A A . 69 ILE CB 1 1 12 6619 1 1 25 ILE CD1 C 0.692 -7.776 0.956 1.00 . A A . 69 ILE CD1 1 1 12 6620 1 1 25 ILE CG1 C 0.793 -6.263 0.813 1.00 . A A . 69 ILE CG1 1 1 12 6621 1 1 25 ILE CG2 C 2.699 -5.895 2.372 1.00 . A A . 69 ILE CG2 1 1 12 6622 1 1 25 ILE H H 4.315 -4.082 1.333 1.00 . A A . 69 ILE H 1 1 12 6623 1 1 25 ILE HA H 2.123 -4.427 -0.679 1.00 . A A . 69 ILE HA 1 1 12 6624 1 1 25 ILE HB H 2.862 -6.552 0.339 1.00 . A A . 69 ILE HB 1 1 12 6625 1 1 25 ILE HD11 H 1.666 -8.172 1.205 1.00 . A A . 69 ILE HD11 1 1 12 6626 1 1 25 ILE HD12 H -0.008 -8.018 1.741 1.00 . A A . 69 ILE HD12 1 1 12 6627 1 1 25 ILE HD13 H 0.355 -8.203 0.025 1.00 . A A . 69 ILE HD13 1 1 12 6628 1 1 25 ILE HG12 H 0.233 -5.783 1.603 1.00 . A A . 69 ILE HG12 1 1 12 6629 1 1 25 ILE HG13 H 0.397 -5.965 -0.146 1.00 . A A . 69 ILE HG13 1 1 12 6630 1 1 25 ILE HG21 H 3.714 -5.537 2.452 1.00 . A A . 69 ILE HG21 1 1 12 6631 1 1 25 ILE HG22 H 2.046 -5.267 2.959 1.00 . A A . 69 ILE HG22 1 1 12 6632 1 1 25 ILE HG23 H 2.646 -6.909 2.740 1.00 . A A . 69 ILE HG23 1 1 12 6633 1 1 25 ILE N N 3.900 -4.199 0.454 1.00 . A A . 69 ILE N 1 1 12 6634 1 1 25 ILE O O 1.885 -3.266 2.361 1.00 . A A . 69 ILE O 1 1 12 6635 1 1 26 CYS C C -1.164 -2.408 2.110 1.00 . A A . 70 CYS C 1 1 12 6636 1 1 26 CYS CA C -0.056 -1.727 1.295 1.00 . A A . 70 CYS CA 1 1 12 6637 1 1 26 CYS CB C -0.601 -0.838 0.168 1.00 . A A . 70 CYS CB 1 1 12 6638 1 1 26 CYS H H 0.579 -2.883 -0.389 1.00 . A A . 70 CYS H 1 1 12 6639 1 1 26 CYS HA H 0.580 -1.148 1.935 1.00 . A A . 70 CYS HA 1 1 12 6640 1 1 26 CYS HB2 H -0.122 0.119 0.213 1.00 . A A . 70 CYS HB2 1 1 12 6641 1 1 26 CYS HB3 H -0.349 -1.302 -0.763 1.00 . A A . 70 CYS HB3 1 1 12 6642 1 1 26 CYS N N 0.740 -2.742 0.564 1.00 . A A . 70 CYS N 1 1 12 6643 1 1 26 CYS O O -1.375 -3.602 2.028 1.00 . A A . 70 CYS O 1 1 12 6644 1 1 26 CYS SG S -2.403 -0.613 0.258 1.00 . A A . 70 CYS SG 1 1 12 6645 1 1 27 PHE C C -4.085 -1.175 3.861 1.00 . A A . 71 PHE C 1 1 12 6646 1 1 27 PHE CA C -2.967 -2.210 3.722 1.00 . A A . 71 PHE CA 1 1 12 6647 1 1 27 PHE CB C -2.331 -2.501 5.082 1.00 . A A . 71 PHE CB 1 1 12 6648 1 1 27 PHE CD1 C -2.407 -5.021 5.134 1.00 . A A . 71 PHE CD1 1 1 12 6649 1 1 27 PHE CD2 C -0.256 -3.923 4.907 1.00 . A A . 71 PHE CD2 1 1 12 6650 1 1 27 PHE CE1 C -1.774 -6.269 5.094 1.00 . A A . 71 PHE CE1 1 1 12 6651 1 1 27 PHE CE2 C 0.376 -5.171 4.867 1.00 . A A . 71 PHE CE2 1 1 12 6652 1 1 27 PHE CG C -1.649 -3.847 5.040 1.00 . A A . 71 PHE CG 1 1 12 6653 1 1 27 PHE CZ C -0.382 -6.344 4.962 1.00 . A A . 71 PHE CZ 1 1 12 6654 1 1 27 PHE H H -1.671 -0.688 2.930 1.00 . A A . 71 PHE H 1 1 12 6655 1 1 27 PHE HA H -3.344 -3.120 3.284 1.00 . A A . 71 PHE HA 1 1 12 6656 1 1 27 PHE HB2 H -1.602 -1.735 5.311 1.00 . A A . 71 PHE HB2 1 1 12 6657 1 1 27 PHE HB3 H -3.098 -2.512 5.844 1.00 . A A . 71 PHE HB3 1 1 12 6658 1 1 27 PHE HD1 H -3.480 -4.963 5.236 1.00 . A A . 71 PHE HD1 1 1 12 6659 1 1 27 PHE HD2 H 0.328 -3.018 4.834 1.00 . A A . 71 PHE HD2 1 1 12 6660 1 1 27 PHE HE1 H -2.360 -7.174 5.167 1.00 . A A . 71 PHE HE1 1 1 12 6661 1 1 27 PHE HE2 H 1.450 -5.229 4.765 1.00 . A A . 71 PHE HE2 1 1 12 6662 1 1 27 PHE HZ H 0.105 -7.307 4.931 1.00 . A A . 71 PHE HZ 1 1 12 6663 1 1 27 PHE N N -1.867 -1.643 2.891 1.00 . A A . 71 PHE N 1 1 12 6664 1 1 27 PHE O O -4.014 -0.274 4.672 1.00 . A A . 71 PHE O 1 1 12 6665 1 1 28 CYS C C -7.158 -0.623 4.297 1.00 . A A . 72 CYS C 1 1 12 6666 1 1 28 CYS CA C -6.223 -0.301 3.130 1.00 . A A . 72 CYS CA 1 1 12 6667 1 1 28 CYS CB C -6.972 -0.447 1.803 1.00 . A A . 72 CYS CB 1 1 12 6668 1 1 28 CYS H H -5.138 -2.015 2.406 1.00 . A A . 72 CYS H 1 1 12 6669 1 1 28 CYS HA H -5.835 0.701 3.224 1.00 . A A . 72 CYS HA 1 1 12 6670 1 1 28 CYS HB2 H -7.590 -1.329 1.838 1.00 . A A . 72 CYS HB2 1 1 12 6671 1 1 28 CYS HB3 H -7.595 0.423 1.645 1.00 . A A . 72 CYS HB3 1 1 12 6672 1 1 28 CYS N N -5.107 -1.287 3.062 1.00 . A A . 72 CYS N 1 1 12 6673 1 1 28 CYS O O -6.789 -1.293 5.241 1.00 . A A . 72 CYS O 1 1 12 6674 1 1 28 CYS SG S -5.792 -0.596 0.437 1.00 . A A . 72 CYS SG 1 1 12 6675 1 1 29 LEU C C -10.438 -1.366 4.817 1.00 . A A . 73 LEU C 1 1 12 6676 1 1 29 LEU CA C -9.347 -0.418 5.326 1.00 . A A . 73 LEU CA 1 1 12 6677 1 1 29 LEU CB C -9.942 0.950 5.680 1.00 . A A . 73 LEU CB 1 1 12 6678 1 1 29 LEU CD1 C -9.468 3.402 5.848 1.00 . A A . 73 LEU CD1 1 1 12 6679 1 1 29 LEU CD2 C -7.882 1.751 6.851 1.00 . A A . 73 LEU CD2 1 1 12 6680 1 1 29 LEU CG C -8.839 2.015 5.686 1.00 . A A . 73 LEU CG 1 1 12 6681 1 1 29 LEU H H -8.643 0.388 3.457 1.00 . A A . 73 LEU H 1 1 12 6682 1 1 29 LEU HA H -8.847 -0.839 6.183 1.00 . A A . 73 LEU HA 1 1 12 6683 1 1 29 LEU HB2 H -10.693 1.215 4.950 1.00 . A A . 73 LEU HB2 1 1 12 6684 1 1 29 LEU HB3 H -10.393 0.902 6.659 1.00 . A A . 73 LEU HB3 1 1 12 6685 1 1 29 LEU HD11 H -10.152 3.392 6.684 1.00 . A A . 73 LEU HD11 1 1 12 6686 1 1 29 LEU HD12 H -8.690 4.129 6.030 1.00 . A A . 73 LEU HD12 1 1 12 6687 1 1 29 LEU HD13 H -10.002 3.664 4.947 1.00 . A A . 73 LEU HD13 1 1 12 6688 1 1 29 LEU HD21 H -7.653 0.696 6.898 1.00 . A A . 73 LEU HD21 1 1 12 6689 1 1 29 LEU HD22 H -6.970 2.311 6.703 1.00 . A A . 73 LEU HD22 1 1 12 6690 1 1 29 LEU HD23 H -8.347 2.059 7.776 1.00 . A A . 73 LEU HD23 1 1 12 6691 1 1 29 LEU HG H -8.294 1.975 4.753 1.00 . A A . 73 LEU HG 1 1 12 6692 1 1 29 LEU N N -8.372 -0.147 4.231 1.00 . A A . 73 LEU N 1 1 12 6693 1 1 29 LEU O O -10.376 -1.835 3.698 1.00 . A A . 73 LEU O 1 1 12 6694 1 1 30 PRO C C -13.285 -1.955 4.079 1.00 . A A . 74 PRO C 1 1 12 6695 1 1 30 PRO CA C -12.522 -2.521 5.281 1.00 . A A . 74 PRO CA 1 1 12 6696 1 1 30 PRO CB C -13.412 -2.558 6.524 1.00 . A A . 74 PRO CB 1 1 12 6697 1 1 30 PRO CD C -11.554 -1.096 7.016 1.00 . A A . 74 PRO CD 1 1 12 6698 1 1 30 PRO CG C -12.574 -2.010 7.637 1.00 . A A . 74 PRO CG 1 1 12 6699 1 1 30 PRO HA H -12.151 -3.508 5.062 1.00 . A A . 74 PRO HA 1 1 12 6700 1 1 30 PRO HB2 H -14.289 -1.940 6.374 1.00 . A A . 74 PRO HB2 1 1 12 6701 1 1 30 PRO HB3 H -13.703 -3.574 6.747 1.00 . A A . 74 PRO HB3 1 1 12 6702 1 1 30 PRO HD2 H -11.922 -0.079 7.000 1.00 . A A . 74 PRO HD2 1 1 12 6703 1 1 30 PRO HD3 H -10.616 -1.156 7.545 1.00 . A A . 74 PRO HD3 1 1 12 6704 1 1 30 PRO HG2 H -13.195 -1.458 8.329 1.00 . A A . 74 PRO HG2 1 1 12 6705 1 1 30 PRO HG3 H -12.074 -2.815 8.152 1.00 . A A . 74 PRO HG3 1 1 12 6706 1 1 30 PRO N N -11.406 -1.617 5.658 1.00 . A A . 74 PRO N 1 1 12 6707 1 1 30 PRO O O -14.102 -2.625 3.480 1.00 . A A . 74 PRO O 1 1 12 6708 1 1 31 ALA C C -13.034 -0.492 1.256 1.00 . A A . 75 ALA C 1 1 12 6709 1 1 31 ALA CA C -13.735 -0.117 2.565 1.00 . A A . 75 ALA CA 1 1 12 6710 1 1 31 ALA CB C -13.658 1.391 2.801 1.00 . A A . 75 ALA CB 1 1 12 6711 1 1 31 ALA H H -12.364 -0.206 4.224 1.00 . A A . 75 ALA H 1 1 12 6712 1 1 31 ALA HA H -14.764 -0.435 2.544 1.00 . A A . 75 ALA HA 1 1 12 6713 1 1 31 ALA HB1 H -12.793 1.617 3.407 1.00 . A A . 75 ALA HB1 1 1 12 6714 1 1 31 ALA HB2 H -13.576 1.901 1.853 1.00 . A A . 75 ALA HB2 1 1 12 6715 1 1 31 ALA HB3 H -14.551 1.722 3.312 1.00 . A A . 75 ALA HB3 1 1 12 6716 1 1 31 ALA N N -13.025 -0.727 3.726 1.00 . A A . 75 ALA N 1 1 12 6717 1 1 31 ALA O O -13.666 -0.699 0.239 1.00 . A A . 75 ALA O 1 1 12 6718 1 1 32 PHE C C -10.354 -2.323 0.178 1.00 . A A . 76 PHE C 1 1 12 6719 1 1 32 PHE CA C -10.995 -0.941 0.028 1.00 . A A . 76 PHE CA 1 1 12 6720 1 1 32 PHE CB C -9.917 0.136 -0.135 1.00 . A A . 76 PHE CB 1 1 12 6721 1 1 32 PHE CD1 C -10.583 1.948 1.486 1.00 . A A . 76 PHE CD1 1 1 12 6722 1 1 32 PHE CD2 C -10.977 2.298 -0.881 1.00 . A A . 76 PHE CD2 1 1 12 6723 1 1 32 PHE CE1 C -11.130 3.206 1.763 1.00 . A A . 76 PHE CE1 1 1 12 6724 1 1 32 PHE CE2 C -11.524 3.557 -0.604 1.00 . A A . 76 PHE CE2 1 1 12 6725 1 1 32 PHE CG C -10.507 1.494 0.164 1.00 . A A . 76 PHE CG 1 1 12 6726 1 1 32 PHE CZ C -11.600 4.011 0.719 1.00 . A A . 76 PHE CZ 1 1 12 6727 1 1 32 PHE H H -11.241 -0.411 2.099 1.00 . A A . 76 PHE H 1 1 12 6728 1 1 32 PHE HA H -11.660 -0.926 -0.818 1.00 . A A . 76 PHE HA 1 1 12 6729 1 1 32 PHE HB2 H -9.104 -0.061 0.550 1.00 . A A . 76 PHE HB2 1 1 12 6730 1 1 32 PHE HB3 H -9.546 0.122 -1.150 1.00 . A A . 76 PHE HB3 1 1 12 6731 1 1 32 PHE HD1 H -10.221 1.327 2.291 1.00 . A A . 76 PHE HD1 1 1 12 6732 1 1 32 PHE HD2 H -10.917 1.949 -1.901 1.00 . A A . 76 PHE HD2 1 1 12 6733 1 1 32 PHE HE1 H -11.189 3.556 2.784 1.00 . A A . 76 PHE HE1 1 1 12 6734 1 1 32 PHE HE2 H -11.886 4.178 -1.410 1.00 . A A . 76 PHE HE2 1 1 12 6735 1 1 32 PHE HZ H -12.021 4.982 0.933 1.00 . A A . 76 PHE HZ 1 1 12 6736 1 1 32 PHE N N -11.732 -0.580 1.272 1.00 . A A . 76 PHE N 1 1 12 6737 1 1 32 PHE O O -10.443 -2.948 1.217 1.00 . A A . 76 PHE O 1 1 12 6738 1 1 33 GLU C C -8.227 -4.424 -2.005 1.00 . A A . 77 GLU C 1 1 12 6739 1 1 33 GLU CA C -9.067 -4.150 -0.755 1.00 . A A . 77 GLU CA 1 1 12 6740 1 1 33 GLU CB C -10.229 -5.140 -0.663 1.00 . A A . 77 GLU CB 1 1 12 6741 1 1 33 GLU CD C -12.091 -6.124 -2.007 1.00 . A A . 77 GLU CD 1 1 12 6742 1 1 33 GLU CG C -11.205 -4.891 -1.814 1.00 . A A . 77 GLU CG 1 1 12 6743 1 1 33 GLU H H -9.648 -2.290 -1.679 1.00 . A A . 77 GLU H 1 1 12 6744 1 1 33 GLU HA H -8.457 -4.214 0.132 1.00 . A A . 77 GLU HA 1 1 12 6745 1 1 33 GLU HB2 H -9.847 -6.149 -0.724 1.00 . A A . 77 GLU HB2 1 1 12 6746 1 1 33 GLU HB3 H -10.742 -5.005 0.278 1.00 . A A . 77 GLU HB3 1 1 12 6747 1 1 33 GLU HG2 H -11.822 -4.035 -1.584 1.00 . A A . 77 GLU HG2 1 1 12 6748 1 1 33 GLU HG3 H -10.651 -4.703 -2.721 1.00 . A A . 77 GLU HG3 1 1 12 6749 1 1 33 GLU N N -9.710 -2.807 -0.848 1.00 . A A . 77 GLU N 1 1 12 6750 1 1 33 GLU O O -8.609 -5.189 -2.867 1.00 . A A . 77 GLU O 1 1 12 6751 1 1 33 GLU OE1 O -11.972 -7.044 -1.216 1.00 . A A . 77 GLU OE1 1 1 12 6752 1 1 33 GLU OE2 O -12.873 -6.126 -2.944 1.00 . A A . 77 GLU OE2 1 1 12 6753 1 1 34 GLY C C -4.760 -3.756 -2.929 1.00 . A A . 78 GLY C 1 1 12 6754 1 1 34 GLY CA C -6.219 -4.031 -3.300 1.00 . A A . 78 GLY CA 1 1 12 6755 1 1 34 GLY H H -6.793 -3.192 -1.400 1.00 . A A . 78 GLY H 1 1 12 6756 1 1 34 GLY HA2 H -6.321 -5.055 -3.630 1.00 . A A . 78 GLY HA2 1 1 12 6757 1 1 34 GLY HA3 H -6.516 -3.363 -4.093 1.00 . A A . 78 GLY HA3 1 1 12 6758 1 1 34 GLY N N -7.083 -3.805 -2.108 1.00 . A A . 78 GLY N 1 1 12 6759 1 1 34 GLY O O -4.462 -3.289 -1.848 1.00 . A A . 78 GLY O 1 1 12 6760 1 1 35 ARG C C -2.195 -2.330 -3.121 1.00 . A A . 79 ARG C 1 1 12 6761 1 1 35 ARG CA C -2.409 -3.793 -3.516 1.00 . A A . 79 ARG CA 1 1 12 6762 1 1 35 ARG CB C -1.668 -4.114 -4.813 1.00 . A A . 79 ARG CB 1 1 12 6763 1 1 35 ARG CD C -0.949 -6.416 -4.160 1.00 . A A . 79 ARG CD 1 1 12 6764 1 1 35 ARG CG C -1.812 -5.605 -5.128 1.00 . A A . 79 ARG CG 1 1 12 6765 1 1 35 ARG CZ C -1.383 -8.647 -3.324 1.00 . A A . 79 ARG CZ 1 1 12 6766 1 1 35 ARG H H -4.109 -4.414 -4.686 1.00 . A A . 79 ARG H 1 1 12 6767 1 1 35 ARG HA H -2.074 -4.448 -2.728 1.00 . A A . 79 ARG HA 1 1 12 6768 1 1 35 ARG HB2 H -2.089 -3.532 -5.621 1.00 . A A . 79 ARG HB2 1 1 12 6769 1 1 35 ARG HB3 H -0.622 -3.871 -4.700 1.00 . A A . 79 ARG HB3 1 1 12 6770 1 1 35 ARG HD2 H 0.097 -6.314 -4.414 1.00 . A A . 79 ARG HD2 1 1 12 6771 1 1 35 ARG HD3 H -1.123 -6.099 -3.143 1.00 . A A . 79 ARG HD3 1 1 12 6772 1 1 35 ARG HE H -1.696 -8.137 -5.217 1.00 . A A . 79 ARG HE 1 1 12 6773 1 1 35 ARG HG2 H -2.847 -5.896 -5.022 1.00 . A A . 79 ARG HG2 1 1 12 6774 1 1 35 ARG HG3 H -1.487 -5.792 -6.141 1.00 . A A . 79 ARG HG3 1 1 12 6775 1 1 35 ARG HH11 H -2.980 -7.822 -2.442 1.00 . A A . 79 ARG HH11 1 1 12 6776 1 1 35 ARG HH12 H -2.274 -9.166 -1.608 1.00 . A A . 79 ARG HH12 1 1 12 6777 1 1 35 ARG HH21 H 0.217 -9.664 -3.968 1.00 . A A . 79 ARG HH21 1 1 12 6778 1 1 35 ARG HH22 H -0.464 -10.208 -2.472 1.00 . A A . 79 ARG HH22 1 1 12 6779 1 1 35 ARG N N -3.848 -4.040 -3.819 1.00 . A A . 79 ARG N 1 1 12 6780 1 1 35 ARG NE N -1.394 -7.826 -4.338 1.00 . A A . 79 ARG NE 1 1 12 6781 1 1 35 ARG NH1 N -2.283 -8.537 -2.385 1.00 . A A . 79 ARG NH1 1 1 12 6782 1 1 35 ARG NH2 N -0.473 -9.579 -3.248 1.00 . A A . 79 ARG NH2 1 1 12 6783 1 1 35 ARG O O -1.182 -1.972 -2.554 1.00 . A A . 79 ARG O 1 1 12 6784 1 1 36 ASN C C -4.380 0.590 -2.896 1.00 . A A . 80 ASN C 1 1 12 6785 1 1 36 ASN CA C -2.996 -0.043 -3.056 1.00 . A A . 80 ASN CA 1 1 12 6786 1 1 36 ASN CB C -2.256 0.582 -4.237 1.00 . A A . 80 ASN CB 1 1 12 6787 1 1 36 ASN CG C -0.749 0.428 -4.026 1.00 . A A . 80 ASN CG 1 1 12 6788 1 1 36 ASN H H -3.949 -1.792 -3.873 1.00 . A A . 80 ASN H 1 1 12 6789 1 1 36 ASN HA H -2.414 0.068 -2.153 1.00 . A A . 80 ASN HA 1 1 12 6790 1 1 36 ASN HB2 H -2.549 0.084 -5.151 1.00 . A A . 80 ASN HB2 1 1 12 6791 1 1 36 ASN HB3 H -2.503 1.631 -4.302 1.00 . A A . 80 ASN HB3 1 1 12 6792 1 1 36 ASN HD21 H -0.445 -0.394 -5.807 1.00 . A A . 80 ASN HD21 1 1 12 6793 1 1 36 ASN HD22 H 0.948 -0.204 -4.842 1.00 . A A . 80 ASN HD22 1 1 12 6794 1 1 36 ASN N N -3.141 -1.483 -3.414 1.00 . A A . 80 ASN N 1 1 12 6795 1 1 36 ASN ND2 N -0.023 -0.101 -4.970 1.00 . A A . 80 ASN ND2 1 1 12 6796 1 1 36 ASN O O -4.574 1.760 -3.156 1.00 . A A . 80 ASN O 1 1 12 6797 1 1 36 ASN OD1 O -0.231 0.787 -2.990 1.00 . A A . 80 ASN OD1 1 1 12 6798 1 1 37 CYS C C -7.318 0.709 -3.680 1.00 . A A . 81 CYS C 1 1 12 6799 1 1 37 CYS CA C -6.729 0.358 -2.313 1.00 . A A . 81 CYS CA 1 1 12 6800 1 1 37 CYS CB C -6.587 1.618 -1.454 1.00 . A A . 81 CYS CB 1 1 12 6801 1 1 37 CYS H H -5.165 -1.130 -2.287 1.00 . A A . 81 CYS H 1 1 12 6802 1 1 37 CYS HA H -7.355 -0.363 -1.809 1.00 . A A . 81 CYS HA 1 1 12 6803 1 1 37 CYS HB2 H -6.221 2.431 -2.064 1.00 . A A . 81 CYS HB2 1 1 12 6804 1 1 37 CYS HB3 H -7.552 1.883 -1.047 1.00 . A A . 81 CYS HB3 1 1 12 6805 1 1 37 CYS N N -5.347 -0.185 -2.481 1.00 . A A . 81 CYS N 1 1 12 6806 1 1 37 CYS O O -8.383 1.287 -3.780 1.00 . A A . 81 CYS O 1 1 12 6807 1 1 37 CYS SG S -5.428 1.313 -0.098 1.00 . A A . 81 CYS SG 1 1 12 6808 1 1 38 GLU C C -8.410 -0.151 -6.378 1.00 . A A . 82 GLU C 1 1 12 6809 1 1 38 GLU CA C -7.149 0.675 -6.097 1.00 . A A . 82 GLU CA 1 1 12 6810 1 1 38 GLU CB C -6.002 0.292 -7.042 1.00 . A A . 82 GLU CB 1 1 12 6811 1 1 38 GLU CD C -5.411 -0.597 -9.304 1.00 . A A . 82 GLU CD 1 1 12 6812 1 1 38 GLU CG C -6.554 -0.103 -8.416 1.00 . A A . 82 GLU CG 1 1 12 6813 1 1 38 GLU H H -5.777 -0.102 -4.633 1.00 . A A . 82 GLU H 1 1 12 6814 1 1 38 GLU HA H -7.363 1.729 -6.186 1.00 . A A . 82 GLU HA 1 1 12 6815 1 1 38 GLU HB2 H -5.336 1.137 -7.156 1.00 . A A . 82 GLU HB2 1 1 12 6816 1 1 38 GLU HB3 H -5.454 -0.541 -6.623 1.00 . A A . 82 GLU HB3 1 1 12 6817 1 1 38 GLU HG2 H -7.286 -0.890 -8.295 1.00 . A A . 82 GLU HG2 1 1 12 6818 1 1 38 GLU HG3 H -7.021 0.755 -8.876 1.00 . A A . 82 GLU HG3 1 1 12 6819 1 1 38 GLU N N -6.633 0.364 -4.735 1.00 . A A . 82 GLU N 1 1 12 6820 1 1 38 GLU O O -9.083 0.044 -7.370 1.00 . A A . 82 GLU O 1 1 12 6821 1 1 38 GLU OE1 O -4.271 -0.298 -8.990 1.00 . A A . 82 GLU OE1 1 1 12 6822 1 1 38 GLU OE2 O -5.697 -1.266 -10.285 1.00 . A A . 82 GLU OE2 1 1 12 6823 1 1 39 THR C C -11.039 -1.518 -4.717 1.00 . A A . 83 THR C 1 1 12 6824 1 1 39 THR CA C -9.953 -1.902 -5.725 1.00 . A A . 83 THR CA 1 1 12 6825 1 1 39 THR CB C -9.493 -3.343 -5.499 1.00 . A A . 83 THR CB 1 1 12 6826 1 1 39 THR CG2 C -10.708 -4.271 -5.497 1.00 . A A . 83 THR CG2 1 1 12 6827 1 1 39 THR H H -8.181 -1.209 -4.714 1.00 . A A . 83 THR H 1 1 12 6828 1 1 39 THR HA H -10.316 -1.785 -6.734 1.00 . A A . 83 THR HA 1 1 12 6829 1 1 39 THR HB H -8.990 -3.415 -4.547 1.00 . A A . 83 THR HB 1 1 12 6830 1 1 39 THR HG1 H -7.987 -3.003 -6.680 1.00 . A A . 83 THR HG1 1 1 12 6831 1 1 39 THR HG21 H -11.612 -3.682 -5.553 1.00 . A A . 83 THR HG21 1 1 12 6832 1 1 39 THR HG22 H -10.657 -4.933 -6.349 1.00 . A A . 83 THR HG22 1 1 12 6833 1 1 39 THR HG23 H -10.716 -4.854 -4.588 1.00 . A A . 83 THR HG23 1 1 12 6834 1 1 39 THR N N -8.736 -1.069 -5.510 1.00 . A A . 83 THR N 1 1 12 6835 1 1 39 THR O O -11.494 -2.335 -3.940 1.00 . A A . 83 THR O 1 1 12 6836 1 1 39 THR OG1 O -8.604 -3.724 -6.539 1.00 . A A . 83 THR OG1 1 1 12 6837 1 1 40 HIS C C -13.648 -0.874 -3.724 1.00 . A A . 84 HIS C 1 1 12 6838 1 1 40 HIS CA C -12.513 0.153 -3.763 1.00 . A A . 84 HIS CA 1 1 12 6839 1 1 40 HIS CB C -13.015 1.490 -4.309 1.00 . A A . 84 HIS CB 1 1 12 6840 1 1 40 HIS CD2 C -14.659 1.953 -2.312 1.00 . A A . 84 HIS CD2 1 1 12 6841 1 1 40 HIS CE1 C -16.425 2.449 -3.465 1.00 . A A . 84 HIS CE1 1 1 12 6842 1 1 40 HIS CG C -14.309 1.854 -3.635 1.00 . A A . 84 HIS CG 1 1 12 6843 1 1 40 HIS H H -11.077 0.359 -5.358 1.00 . A A . 84 HIS H 1 1 12 6844 1 1 40 HIS HA H -12.094 0.291 -2.779 1.00 . A A . 84 HIS HA 1 1 12 6845 1 1 40 HIS HB2 H -12.280 2.258 -4.113 1.00 . A A . 84 HIS HB2 1 1 12 6846 1 1 40 HIS HB3 H -13.175 1.408 -5.373 1.00 . A A . 84 HIS HB3 1 1 12 6847 1 1 40 HIS HD1 H -15.535 2.200 -5.329 1.00 . A A . 84 HIS HD1 1 1 12 6848 1 1 40 HIS HD2 H -13.998 1.765 -1.478 1.00 . A A . 84 HIS HD2 1 1 12 6849 1 1 40 HIS HE1 H -17.430 2.733 -3.737 1.00 . A A . 84 HIS HE1 1 1 12 6850 1 1 40 HIS N N -11.457 -0.283 -4.722 1.00 . A A . 84 HIS N 1 1 12 6851 1 1 40 HIS ND1 N -15.451 2.176 -4.353 1.00 . A A . 84 HIS ND1 1 1 12 6852 1 1 40 HIS NE2 N -15.995 2.328 -2.206 1.00 . A A . 84 HIS NE2 1 1 12 6853 1 1 40 HIS O O -14.288 -1.145 -4.720 1.00 . A A . 84 HIS O 1 1 12 6854 1 1 41 LYS C C -16.308 -1.868 -2.999 1.00 . A A . 85 LYS C 1 1 12 6855 1 1 41 LYS CA C -14.995 -2.456 -2.477 1.00 . A A . 85 LYS CA 1 1 12 6856 1 1 41 LYS CB C -15.104 -2.771 -0.985 1.00 . A A . 85 LYS CB 1 1 12 6857 1 1 41 LYS CD C -13.827 -3.519 1.028 1.00 . A A . 85 LYS CD 1 1 12 6858 1 1 41 LYS CE C -13.491 -4.960 1.421 1.00 . A A . 85 LYS CE 1 1 12 6859 1 1 41 LYS CG C -13.791 -3.386 -0.495 1.00 . A A . 85 LYS CG 1 1 12 6860 1 1 41 LYS H H -13.373 -1.215 -1.788 1.00 . A A . 85 LYS H 1 1 12 6861 1 1 41 LYS HA H -14.738 -3.349 -3.024 1.00 . A A . 85 LYS HA 1 1 12 6862 1 1 41 LYS HB2 H -15.301 -1.858 -0.438 1.00 . A A . 85 LYS HB2 1 1 12 6863 1 1 41 LYS HB3 H -15.910 -3.471 -0.822 1.00 . A A . 85 LYS HB3 1 1 12 6864 1 1 41 LYS HD2 H -13.102 -2.848 1.465 1.00 . A A . 85 LYS HD2 1 1 12 6865 1 1 41 LYS HD3 H -14.812 -3.270 1.389 1.00 . A A . 85 LYS HD3 1 1 12 6866 1 1 41 LYS HE2 H -13.320 -5.560 0.538 1.00 . A A . 85 LYS HE2 1 1 12 6867 1 1 41 LYS HE3 H -12.627 -4.984 2.068 1.00 . A A . 85 LYS HE3 1 1 12 6868 1 1 41 LYS HG2 H -13.663 -4.361 -0.941 1.00 . A A . 85 LYS HG2 1 1 12 6869 1 1 41 LYS HG3 H -12.967 -2.748 -0.780 1.00 . A A . 85 LYS HG3 1 1 12 6870 1 1 41 LYS HZ1 H -15.541 -5.287 1.580 1.00 . A A . 85 LYS HZ1 1 1 12 6871 1 1 41 LYS HZ2 H -14.589 -6.464 2.353 1.00 . A A . 85 LYS HZ2 1 1 12 6872 1 1 41 LYS HZ3 H -14.782 -4.928 3.054 1.00 . A A . 85 LYS HZ3 1 1 12 6873 1 1 41 LYS N N -13.902 -1.448 -2.580 1.00 . A A . 85 LYS N 1 1 12 6874 1 1 41 LYS NZ N -14.691 -5.447 2.157 1.00 . A A . 85 LYS NZ 1 1 12 6875 1 1 41 LYS O O -16.795 -0.927 -2.393 1.00 . A A . 85 LYS O 1 1 12 6876 1 1 41 LYS OXT O -16.804 -2.368 -3.996 1.00 . A A . 85 LYS OXT 1 1 13 6877 1 1 1 SER C C 15.293 5.850 -3.260 1.00 . A A . 45 SER C 1 1 13 6878 1 1 1 SER CA C 15.889 6.072 -4.653 1.00 . A A . 45 SER CA 1 1 13 6879 1 1 1 SER CB C 16.181 7.555 -4.881 1.00 . A A . 45 SER CB 1 1 13 6880 1 1 1 SER H1 H 13.936 5.925 -5.363 1.00 . A A . 45 SER H1 1 1 13 6881 1 1 1 SER H2 H 15.090 6.255 -6.567 1.00 . A A . 45 SER H2 1 1 13 6882 1 1 1 SER H3 H 14.966 4.693 -5.910 1.00 . A A . 45 SER H3 1 1 13 6883 1 1 1 SER HA H 16.793 5.496 -4.773 1.00 . A A . 45 SER HA 1 1 13 6884 1 1 1 SER HB2 H 16.770 7.675 -5.774 1.00 . A A . 45 SER HB2 1 1 13 6885 1 1 1 SER HB3 H 15.248 8.091 -4.992 1.00 . A A . 45 SER HB3 1 1 13 6886 1 1 1 SER HG H 17.568 8.676 -4.102 1.00 . A A . 45 SER HG 1 1 13 6887 1 1 1 SER N N 14.895 5.708 -5.703 1.00 . A A . 45 SER N 1 1 13 6888 1 1 1 SER O O 15.325 6.721 -2.414 1.00 . A A . 45 SER O 1 1 13 6889 1 1 1 SER OG O 16.906 8.066 -3.769 1.00 . A A . 45 SER OG 1 1 13 6890 1 1 2 ASP C C 14.540 3.007 -1.206 1.00 . A A . 46 ASP C 1 1 13 6891 1 1 2 ASP CA C 14.152 4.411 -1.678 1.00 . A A . 46 ASP CA 1 1 13 6892 1 1 2 ASP CB C 12.641 4.507 -1.892 1.00 . A A . 46 ASP CB 1 1 13 6893 1 1 2 ASP CG C 12.111 5.781 -1.229 1.00 . A A . 46 ASP CG 1 1 13 6894 1 1 2 ASP H H 14.734 3.999 -3.711 1.00 . A A . 46 ASP H 1 1 13 6895 1 1 2 ASP HA H 14.471 5.153 -0.962 1.00 . A A . 46 ASP HA 1 1 13 6896 1 1 2 ASP HB2 H 12.429 4.537 -2.950 1.00 . A A . 46 ASP HB2 1 1 13 6897 1 1 2 ASP HB3 H 12.160 3.647 -1.451 1.00 . A A . 46 ASP HB3 1 1 13 6898 1 1 2 ASP N N 14.750 4.689 -3.016 1.00 . A A . 46 ASP N 1 1 13 6899 1 1 2 ASP O O 15.425 2.839 -0.390 1.00 . A A . 46 ASP O 1 1 13 6900 1 1 2 ASP OD1 O 11.912 5.759 -0.025 1.00 . A A . 46 ASP OD1 1 1 13 6901 1 1 2 ASP OD2 O 11.913 6.754 -1.935 1.00 . A A . 46 ASP OD2 1 1 13 6902 1 1 3 GLY C C 13.120 0.078 -0.367 1.00 . A A . 47 GLY C 1 1 13 6903 1 1 3 GLY CA C 14.216 0.609 -1.292 1.00 . A A . 47 GLY CA 1 1 13 6904 1 1 3 GLY H H 13.173 2.157 -2.367 1.00 . A A . 47 GLY H 1 1 13 6905 1 1 3 GLY HA2 H 14.290 -0.023 -2.166 1.00 . A A . 47 GLY HA2 1 1 13 6906 1 1 3 GLY HA3 H 15.158 0.606 -0.765 1.00 . A A . 47 GLY HA3 1 1 13 6907 1 1 3 GLY N N 13.885 1.999 -1.711 1.00 . A A . 47 GLY N 1 1 13 6908 1 1 3 GLY O O 13.017 -1.109 -0.128 1.00 . A A . 47 GLY O 1 1 13 6909 1 1 4 ASP C C 9.906 0.308 0.277 1.00 . A A . 48 ASP C 1 1 13 6910 1 1 4 ASP CA C 11.207 0.490 1.063 1.00 . A A . 48 ASP CA 1 1 13 6911 1 1 4 ASP CB C 11.058 1.608 2.095 1.00 . A A . 48 ASP CB 1 1 13 6912 1 1 4 ASP CG C 12.358 1.747 2.890 1.00 . A A . 48 ASP CG 1 1 13 6913 1 1 4 ASP H H 12.396 1.900 -0.053 1.00 . A A . 48 ASP H 1 1 13 6914 1 1 4 ASP HA H 11.485 -0.429 1.553 1.00 . A A . 48 ASP HA 1 1 13 6915 1 1 4 ASP HB2 H 10.842 2.538 1.591 1.00 . A A . 48 ASP HB2 1 1 13 6916 1 1 4 ASP HB3 H 10.250 1.369 2.771 1.00 . A A . 48 ASP HB3 1 1 13 6917 1 1 4 ASP N N 12.297 0.947 0.154 1.00 . A A . 48 ASP N 1 1 13 6918 1 1 4 ASP O O 9.034 -0.436 0.685 1.00 . A A . 48 ASP O 1 1 13 6919 1 1 4 ASP OD1 O 12.904 0.727 3.278 1.00 . A A . 48 ASP OD1 1 1 13 6920 1 1 4 ASP OD2 O 12.788 2.870 3.094 1.00 . A A . 48 ASP OD2 1 1 13 6921 1 1 5 GLN C C 7.346 1.589 -1.104 1.00 . A A . 49 GLN C 1 1 13 6922 1 1 5 GLN CA C 8.574 0.885 -1.717 1.00 . A A . 49 GLN CA 1 1 13 6923 1 1 5 GLN CB C 8.323 -0.608 -1.920 1.00 . A A . 49 GLN CB 1 1 13 6924 1 1 5 GLN CD C 8.594 -0.196 -4.370 1.00 . A A . 49 GLN CD 1 1 13 6925 1 1 5 GLN CG C 9.026 -1.073 -3.196 1.00 . A A . 49 GLN CG 1 1 13 6926 1 1 5 GLN H H 10.521 1.550 -1.136 1.00 . A A . 49 GLN H 1 1 13 6927 1 1 5 GLN HA H 8.793 1.333 -2.668 1.00 . A A . 49 GLN HA 1 1 13 6928 1 1 5 GLN HB2 H 8.717 -1.152 -1.087 1.00 . A A . 49 GLN HB2 1 1 13 6929 1 1 5 GLN HB3 H 7.262 -0.787 -2.005 1.00 . A A . 49 GLN HB3 1 1 13 6930 1 1 5 GLN HE21 H 7.011 0.545 -3.419 1.00 . A A . 49 GLN HE21 1 1 13 6931 1 1 5 GLN HE22 H 7.269 1.137 -4.990 1.00 . A A . 49 GLN HE22 1 1 13 6932 1 1 5 GLN HG2 H 10.095 -0.990 -3.062 1.00 . A A . 49 GLN HG2 1 1 13 6933 1 1 5 GLN HG3 H 8.768 -2.100 -3.399 1.00 . A A . 49 GLN HG3 1 1 13 6934 1 1 5 GLN N N 9.788 0.979 -0.847 1.00 . A A . 49 GLN N 1 1 13 6935 1 1 5 GLN NE2 N 7.533 0.553 -4.253 1.00 . A A . 49 GLN NE2 1 1 13 6936 1 1 5 GLN O O 6.540 2.153 -1.817 1.00 . A A . 49 GLN O 1 1 13 6937 1 1 5 GLN OE1 O 9.229 -0.191 -5.405 1.00 . A A . 49 GLN OE1 1 1 13 6938 1 1 6 CYS C C 6.281 3.770 0.888 1.00 . A A . 50 CYS C 1 1 13 6939 1 1 6 CYS CA C 6.015 2.262 0.806 1.00 . A A . 50 CYS CA 1 1 13 6940 1 1 6 CYS CB C 5.889 1.631 2.202 1.00 . A A . 50 CYS CB 1 1 13 6941 1 1 6 CYS H H 7.837 1.134 0.758 1.00 . A A . 50 CYS H 1 1 13 6942 1 1 6 CYS HA H 5.123 2.067 0.231 1.00 . A A . 50 CYS HA 1 1 13 6943 1 1 6 CYS HB2 H 5.320 0.718 2.129 1.00 . A A . 50 CYS HB2 1 1 13 6944 1 1 6 CYS HB3 H 6.877 1.405 2.580 1.00 . A A . 50 CYS HB3 1 1 13 6945 1 1 6 CYS N N 7.190 1.578 0.192 1.00 . A A . 50 CYS N 1 1 13 6946 1 1 6 CYS O O 5.431 4.539 1.291 1.00 . A A . 50 CYS O 1 1 13 6947 1 1 6 CYS SG S 5.054 2.763 3.349 1.00 . A A . 50 CYS SG 1 1 13 6948 1 1 7 ALA C C 6.852 6.423 -0.399 1.00 . A A . 51 ALA C 1 1 13 6949 1 1 7 ALA CA C 7.767 5.655 0.558 1.00 . A A . 51 ALA CA 1 1 13 6950 1 1 7 ALA CB C 9.225 5.763 0.108 1.00 . A A . 51 ALA CB 1 1 13 6951 1 1 7 ALA H H 8.125 3.564 0.181 1.00 . A A . 51 ALA H 1 1 13 6952 1 1 7 ALA HA H 7.662 6.028 1.564 1.00 . A A . 51 ALA HA 1 1 13 6953 1 1 7 ALA HB1 H 9.749 4.855 0.367 1.00 . A A . 51 ALA HB1 1 1 13 6954 1 1 7 ALA HB2 H 9.262 5.908 -0.960 1.00 . A A . 51 ALA HB2 1 1 13 6955 1 1 7 ALA HB3 H 9.693 6.602 0.603 1.00 . A A . 51 ALA HB3 1 1 13 6956 1 1 7 ALA N N 7.453 4.198 0.505 1.00 . A A . 51 ALA N 1 1 13 6957 1 1 7 ALA O O 6.279 7.435 -0.048 1.00 . A A . 51 ALA O 1 1 13 6958 1 1 8 SER C C 4.368 6.577 -2.116 1.00 . A A . 52 SER C 1 1 13 6959 1 1 8 SER CA C 5.824 6.645 -2.582 1.00 . A A . 52 SER CA 1 1 13 6960 1 1 8 SER CB C 6.004 5.884 -3.895 1.00 . A A . 52 SER CB 1 1 13 6961 1 1 8 SER H H 7.175 5.126 -1.868 1.00 . A A . 52 SER H 1 1 13 6962 1 1 8 SER HA H 6.134 7.671 -2.705 1.00 . A A . 52 SER HA 1 1 13 6963 1 1 8 SER HB2 H 5.454 6.379 -4.679 1.00 . A A . 52 SER HB2 1 1 13 6964 1 1 8 SER HB3 H 7.054 5.860 -4.155 1.00 . A A . 52 SER HB3 1 1 13 6965 1 1 8 SER HG H 6.233 4.008 -3.434 1.00 . A A . 52 SER HG 1 1 13 6966 1 1 8 SER N N 6.706 5.946 -1.606 1.00 . A A . 52 SER N 1 1 13 6967 1 1 8 SER O O 3.497 7.221 -2.666 1.00 . A A . 52 SER O 1 1 13 6968 1 1 8 SER OG O 5.510 4.560 -3.741 1.00 . A A . 52 SER OG 1 1 13 6969 1 1 9 SER C C 1.813 4.984 -1.623 1.00 . A A . 53 SER C 1 1 13 6970 1 1 9 SER CA C 2.702 5.687 -0.592 1.00 . A A . 53 SER CA 1 1 13 6971 1 1 9 SER CB C 2.238 7.127 -0.378 1.00 . A A . 53 SER CB 1 1 13 6972 1 1 9 SER H H 4.818 5.290 -0.673 1.00 . A A . 53 SER H 1 1 13 6973 1 1 9 SER HA H 2.686 5.152 0.345 1.00 . A A . 53 SER HA 1 1 13 6974 1 1 9 SER HB2 H 3.074 7.735 -0.076 1.00 . A A . 53 SER HB2 1 1 13 6975 1 1 9 SER HB3 H 1.829 7.514 -1.303 1.00 . A A . 53 SER HB3 1 1 13 6976 1 1 9 SER HG H 0.420 7.436 0.243 1.00 . A A . 53 SER HG 1 1 13 6977 1 1 9 SER N N 4.099 5.799 -1.102 1.00 . A A . 53 SER N 1 1 13 6978 1 1 9 SER O O 0.900 5.577 -2.162 1.00 . A A . 53 SER O 1 1 13 6979 1 1 9 SER OG O 1.247 7.154 0.640 1.00 . A A . 53 SER OG 1 1 13 6980 1 1 10 PRO C C -0.130 2.828 -2.365 1.00 . A A . 54 PRO C 1 1 13 6981 1 1 10 PRO CA C 1.325 2.936 -2.830 1.00 . A A . 54 PRO CA 1 1 13 6982 1 1 10 PRO CB C 2.002 1.564 -2.825 1.00 . A A . 54 PRO CB 1 1 13 6983 1 1 10 PRO CD C 3.189 2.959 -1.243 1.00 . A A . 54 PRO CD 1 1 13 6984 1 1 10 PRO CG C 2.852 1.534 -1.592 1.00 . A A . 54 PRO CG 1 1 13 6985 1 1 10 PRO HA H 1.379 3.373 -3.814 1.00 . A A . 54 PRO HA 1 1 13 6986 1 1 10 PRO HB2 H 1.256 0.781 -2.786 1.00 . A A . 54 PRO HB2 1 1 13 6987 1 1 10 PRO HB3 H 2.622 1.450 -3.702 1.00 . A A . 54 PRO HB3 1 1 13 6988 1 1 10 PRO HD2 H 3.193 3.094 -0.169 1.00 . A A . 54 PRO HD2 1 1 13 6989 1 1 10 PRO HD3 H 4.139 3.241 -1.668 1.00 . A A . 54 PRO HD3 1 1 13 6990 1 1 10 PRO HG2 H 2.306 1.073 -0.781 1.00 . A A . 54 PRO HG2 1 1 13 6991 1 1 10 PRO HG3 H 3.761 0.985 -1.785 1.00 . A A . 54 PRO HG3 1 1 13 6992 1 1 10 PRO N N 2.111 3.734 -1.858 1.00 . A A . 54 PRO N 1 1 13 6993 1 1 10 PRO O O -1.048 3.175 -3.080 1.00 . A A . 54 PRO O 1 1 13 6994 1 1 11 CYS C C -2.535 3.492 -1.006 1.00 . A A . 55 CYS C 1 1 13 6995 1 1 11 CYS CA C -1.738 2.234 -0.650 1.00 . A A . 55 CYS CA 1 1 13 6996 1 1 11 CYS CB C -1.582 2.103 0.865 1.00 . A A . 55 CYS CB 1 1 13 6997 1 1 11 CYS H H 0.412 2.086 -0.603 1.00 . A A . 55 CYS H 1 1 13 6998 1 1 11 CYS HA H -2.216 1.354 -1.051 1.00 . A A . 55 CYS HA 1 1 13 6999 1 1 11 CYS HB2 H -0.623 1.658 1.090 1.00 . A A . 55 CYS HB2 1 1 13 7000 1 1 11 CYS HB3 H -1.638 3.085 1.317 1.00 . A A . 55 CYS HB3 1 1 13 7001 1 1 11 CYS N N -0.344 2.355 -1.166 1.00 . A A . 55 CYS N 1 1 13 7002 1 1 11 CYS O O -1.976 4.501 -1.389 1.00 . A A . 55 CYS O 1 1 13 7003 1 1 11 CYS SG S -2.901 1.059 1.529 1.00 . A A . 55 CYS SG 1 1 13 7004 1 1 12 GLN C C -5.814 4.805 -0.251 1.00 . A A . 56 GLN C 1 1 13 7005 1 1 12 GLN CA C -4.651 4.644 -1.229 1.00 . A A . 56 GLN CA 1 1 13 7006 1 1 12 GLN CB C -5.184 4.380 -2.637 1.00 . A A . 56 GLN CB 1 1 13 7007 1 1 12 GLN CD C -4.530 4.153 -5.035 1.00 . A A . 56 GLN CD 1 1 13 7008 1 1 12 GLN CG C -4.009 4.246 -3.601 1.00 . A A . 56 GLN CG 1 1 13 7009 1 1 12 GLN H H -4.270 2.625 -0.583 1.00 . A A . 56 GLN H 1 1 13 7010 1 1 12 GLN HA H -4.035 5.527 -1.230 1.00 . A A . 56 GLN HA 1 1 13 7011 1 1 12 GLN HB2 H -5.762 3.467 -2.638 1.00 . A A . 56 GLN HB2 1 1 13 7012 1 1 12 GLN HB3 H -5.809 5.204 -2.946 1.00 . A A . 56 GLN HB3 1 1 13 7013 1 1 12 GLN HE21 H -2.720 4.270 -5.846 1.00 . A A . 56 GLN HE21 1 1 13 7014 1 1 12 GLN HE22 H -4.010 4.126 -6.953 1.00 . A A . 56 GLN HE22 1 1 13 7015 1 1 12 GLN HG2 H -3.368 5.111 -3.505 1.00 . A A . 56 GLN HG2 1 1 13 7016 1 1 12 GLN HG3 H -3.449 3.353 -3.362 1.00 . A A . 56 GLN HG3 1 1 13 7017 1 1 12 GLN N N -3.834 3.445 -0.890 1.00 . A A . 56 GLN N 1 1 13 7018 1 1 12 GLN NE2 N -3.684 4.185 -6.026 1.00 . A A . 56 GLN NE2 1 1 13 7019 1 1 12 GLN O O -5.886 4.142 0.764 1.00 . A A . 56 GLN O 1 1 13 7020 1 1 12 GLN OE1 O -5.722 4.051 -5.255 1.00 . A A . 56 GLN OE1 1 1 13 7021 1 1 13 ASN C C -7.452 5.903 1.798 1.00 . A A . 57 ASN C 1 1 13 7022 1 1 13 ASN CA C -7.902 5.890 0.335 1.00 . A A . 57 ASN CA 1 1 13 7023 1 1 13 ASN CB C -8.836 4.700 0.073 1.00 . A A . 57 ASN CB 1 1 13 7024 1 1 13 ASN CG C -8.741 4.266 -1.395 1.00 . A A . 57 ASN CG 1 1 13 7025 1 1 13 ASN H H -6.646 6.195 -1.392 1.00 . A A . 57 ASN H 1 1 13 7026 1 1 13 ASN HA H -8.403 6.812 0.088 1.00 . A A . 57 ASN HA 1 1 13 7027 1 1 13 ASN HB2 H -8.550 3.875 0.710 1.00 . A A . 57 ASN HB2 1 1 13 7028 1 1 13 ASN HB3 H -9.852 4.987 0.295 1.00 . A A . 57 ASN HB3 1 1 13 7029 1 1 13 ASN HD21 H -10.237 5.431 -1.988 1.00 . A A . 57 ASN HD21 1 1 13 7030 1 1 13 ASN HD22 H -9.495 4.506 -3.214 1.00 . A A . 57 ASN HD22 1 1 13 7031 1 1 13 ASN N N -6.727 5.679 -0.561 1.00 . A A . 57 ASN N 1 1 13 7032 1 1 13 ASN ND2 N -9.561 4.775 -2.270 1.00 . A A . 57 ASN ND2 1 1 13 7033 1 1 13 ASN O O -7.950 5.156 2.617 1.00 . A A . 57 ASN O 1 1 13 7034 1 1 13 ASN OD1 O -7.908 3.458 -1.748 1.00 . A A . 57 ASN OD1 1 1 13 7035 1 1 14 GLY C C -5.510 5.428 3.958 1.00 . A A . 58 GLY C 1 1 13 7036 1 1 14 GLY CA C -6.034 6.802 3.542 1.00 . A A . 58 GLY CA 1 1 13 7037 1 1 14 GLY H H -6.123 7.338 1.457 1.00 . A A . 58 GLY H 1 1 13 7038 1 1 14 GLY HA2 H -5.241 7.533 3.623 1.00 . A A . 58 GLY HA2 1 1 13 7039 1 1 14 GLY HA3 H -6.851 7.082 4.189 1.00 . A A . 58 GLY HA3 1 1 13 7040 1 1 14 GLY N N -6.514 6.745 2.132 1.00 . A A . 58 GLY N 1 1 13 7041 1 1 14 GLY O O -5.720 4.985 5.069 1.00 . A A . 58 GLY O 1 1 13 7042 1 1 15 GLY C C -2.812 3.494 3.749 1.00 . A A . 59 GLY C 1 1 13 7043 1 1 15 GLY CA C -4.304 3.399 3.427 1.00 . A A . 59 GLY CA 1 1 13 7044 1 1 15 GLY H H -4.675 5.116 2.181 1.00 . A A . 59 GLY H 1 1 13 7045 1 1 15 GLY HA2 H -4.835 3.022 4.292 1.00 . A A . 59 GLY HA2 1 1 13 7046 1 1 15 GLY HA3 H -4.446 2.727 2.594 1.00 . A A . 59 GLY HA3 1 1 13 7047 1 1 15 GLY N N -4.832 4.745 3.075 1.00 . A A . 59 GLY N 1 1 13 7048 1 1 15 GLY O O -2.190 4.521 3.568 1.00 . A A . 59 GLY O 1 1 13 7049 1 1 16 SER C C -0.013 1.518 3.622 1.00 . A A . 60 SER C 1 1 13 7050 1 1 16 SER CA C -0.785 2.443 4.564 1.00 . A A . 60 SER CA 1 1 13 7051 1 1 16 SER CB C -0.708 1.926 6.000 1.00 . A A . 60 SER CB 1 1 13 7052 1 1 16 SER H H -2.759 1.607 4.364 1.00 . A A . 60 SER H 1 1 13 7053 1 1 16 SER HA H -0.397 3.449 4.513 1.00 . A A . 60 SER HA 1 1 13 7054 1 1 16 SER HB2 H -1.003 0.888 6.026 1.00 . A A . 60 SER HB2 1 1 13 7055 1 1 16 SER HB3 H 0.308 2.018 6.360 1.00 . A A . 60 SER HB3 1 1 13 7056 1 1 16 SER HG H -2.001 2.082 7.445 1.00 . A A . 60 SER HG 1 1 13 7057 1 1 16 SER N N -2.237 2.425 4.227 1.00 . A A . 60 SER N 1 1 13 7058 1 1 16 SER O O -0.586 0.683 2.950 1.00 . A A . 60 SER O 1 1 13 7059 1 1 16 SER OG O -1.588 2.682 6.820 1.00 . A A . 60 SER OG 1 1 13 7060 1 1 17 CYS C C 3.134 0.007 3.495 1.00 . A A . 61 CYS C 1 1 13 7061 1 1 17 CYS CA C 2.088 0.769 2.679 1.00 . A A . 61 CYS CA 1 1 13 7062 1 1 17 CYS CB C 2.766 1.692 1.656 1.00 . A A . 61 CYS CB 1 1 13 7063 1 1 17 CYS H H 1.727 2.324 4.131 1.00 . A A . 61 CYS H 1 1 13 7064 1 1 17 CYS HA H 1.441 0.073 2.168 1.00 . A A . 61 CYS HA 1 1 13 7065 1 1 17 CYS HB2 H 3.621 1.188 1.234 1.00 . A A . 61 CYS HB2 1 1 13 7066 1 1 17 CYS HB3 H 2.065 1.923 0.867 1.00 . A A . 61 CYS HB3 1 1 13 7067 1 1 17 CYS N N 1.283 1.652 3.574 1.00 . A A . 61 CYS N 1 1 13 7068 1 1 17 CYS O O 3.788 0.558 4.358 1.00 . A A . 61 CYS O 1 1 13 7069 1 1 17 CYS SG S 3.311 3.233 2.441 1.00 . A A . 61 CYS SG 1 1 13 7070 1 1 18 LYS C C 5.594 -2.158 3.182 1.00 . A A . 62 LYS C 1 1 13 7071 1 1 18 LYS CA C 4.298 -2.058 3.984 1.00 . A A . 62 LYS CA 1 1 13 7072 1 1 18 LYS CB C 3.667 -3.438 4.152 1.00 . A A . 62 LYS CB 1 1 13 7073 1 1 18 LYS CD C 3.490 -4.563 6.377 1.00 . A A . 62 LYS CD 1 1 13 7074 1 1 18 LYS CE C 4.266 -5.305 7.466 1.00 . A A . 62 LYS CE 1 1 13 7075 1 1 18 LYS CG C 4.431 -4.224 5.219 1.00 . A A . 62 LYS CG 1 1 13 7076 1 1 18 LYS H H 2.756 -1.682 2.526 1.00 . A A . 62 LYS H 1 1 13 7077 1 1 18 LYS HA H 4.483 -1.615 4.950 1.00 . A A . 62 LYS HA 1 1 13 7078 1 1 18 LYS HB2 H 2.636 -3.329 4.453 1.00 . A A . 62 LYS HB2 1 1 13 7079 1 1 18 LYS HB3 H 3.715 -3.969 3.215 1.00 . A A . 62 LYS HB3 1 1 13 7080 1 1 18 LYS HD2 H 3.078 -3.651 6.784 1.00 . A A . 62 LYS HD2 1 1 13 7081 1 1 18 LYS HD3 H 2.689 -5.191 6.017 1.00 . A A . 62 LYS HD3 1 1 13 7082 1 1 18 LYS HE2 H 3.719 -6.183 7.784 1.00 . A A . 62 LYS HE2 1 1 13 7083 1 1 18 LYS HE3 H 5.247 -5.581 7.109 1.00 . A A . 62 LYS HE3 1 1 13 7084 1 1 18 LYS HG2 H 4.815 -5.137 4.787 1.00 . A A . 62 LYS HG2 1 1 13 7085 1 1 18 LYS HG3 H 5.252 -3.627 5.588 1.00 . A A . 62 LYS HG3 1 1 13 7086 1 1 18 LYS HZ1 H 4.862 -3.469 8.245 1.00 . A A . 62 LYS HZ1 1 1 13 7087 1 1 18 LYS HZ2 H 3.438 -4.086 8.936 1.00 . A A . 62 LYS HZ2 1 1 13 7088 1 1 18 LYS HZ3 H 4.940 -4.752 9.357 1.00 . A A . 62 LYS HZ3 1 1 13 7089 1 1 18 LYS N N 3.294 -1.258 3.227 1.00 . A A . 62 LYS N 1 1 13 7090 1 1 18 LYS NZ N 4.385 -4.330 8.585 1.00 . A A . 62 LYS NZ 1 1 13 7091 1 1 18 LYS O O 5.581 -2.388 1.991 1.00 . A A . 62 LYS O 1 1 13 7092 1 1 19 ASP C C 8.710 -3.393 3.406 1.00 . A A . 63 ASP C 1 1 13 7093 1 1 19 ASP CA C 8.008 -2.070 3.093 1.00 . A A . 63 ASP CA 1 1 13 7094 1 1 19 ASP CB C 8.830 -0.891 3.611 1.00 . A A . 63 ASP CB 1 1 13 7095 1 1 19 ASP CG C 9.014 -1.020 5.124 1.00 . A A . 63 ASP CG 1 1 13 7096 1 1 19 ASP H H 6.699 -1.805 4.786 1.00 . A A . 63 ASP H 1 1 13 7097 1 1 19 ASP HA H 7.848 -1.970 2.031 1.00 . A A . 63 ASP HA 1 1 13 7098 1 1 19 ASP HB2 H 9.797 -0.888 3.129 1.00 . A A . 63 ASP HB2 1 1 13 7099 1 1 19 ASP HB3 H 8.315 0.032 3.390 1.00 . A A . 63 ASP HB3 1 1 13 7100 1 1 19 ASP N N 6.712 -1.987 3.825 1.00 . A A . 63 ASP N 1 1 13 7101 1 1 19 ASP O O 9.230 -3.590 4.486 1.00 . A A . 63 ASP O 1 1 13 7102 1 1 19 ASP OD1 O 8.158 -0.536 5.848 1.00 . A A . 63 ASP OD1 1 1 13 7103 1 1 19 ASP OD2 O 10.006 -1.598 5.534 1.00 . A A . 63 ASP OD2 1 1 13 7104 1 1 20 GLN C C 10.711 -5.682 1.911 1.00 . A A . 64 GLN C 1 1 13 7105 1 1 20 GLN CA C 9.411 -5.607 2.716 1.00 . A A . 64 GLN CA 1 1 13 7106 1 1 20 GLN CB C 8.435 -6.716 2.265 1.00 . A A . 64 GLN CB 1 1 13 7107 1 1 20 GLN CD C 6.108 -7.256 1.531 1.00 . A A . 64 GLN CD 1 1 13 7108 1 1 20 GLN CG C 7.118 -6.128 1.739 1.00 . A A . 64 GLN CG 1 1 13 7109 1 1 20 GLN H H 8.311 -4.118 1.599 1.00 . A A . 64 GLN H 1 1 13 7110 1 1 20 GLN HA H 9.623 -5.717 3.768 1.00 . A A . 64 GLN HA 1 1 13 7111 1 1 20 GLN HB2 H 8.898 -7.296 1.482 1.00 . A A . 64 GLN HB2 1 1 13 7112 1 1 20 GLN HB3 H 8.223 -7.361 3.105 1.00 . A A . 64 GLN HB3 1 1 13 7113 1 1 20 GLN HE21 H 4.580 -6.021 1.235 1.00 . A A . 64 GLN HE21 1 1 13 7114 1 1 20 GLN HE22 H 4.204 -7.683 1.153 1.00 . A A . 64 GLN HE22 1 1 13 7115 1 1 20 GLN HG2 H 6.726 -5.420 2.456 1.00 . A A . 64 GLN HG2 1 1 13 7116 1 1 20 GLN HG3 H 7.296 -5.628 0.799 1.00 . A A . 64 GLN HG3 1 1 13 7117 1 1 20 GLN N N 8.734 -4.297 2.468 1.00 . A A . 64 GLN N 1 1 13 7118 1 1 20 GLN NE2 N 4.861 -6.962 1.285 1.00 . A A . 64 GLN NE2 1 1 13 7119 1 1 20 GLN O O 11.299 -4.675 1.572 1.00 . A A . 64 GLN O 1 1 13 7120 1 1 20 GLN OE1 O 6.457 -8.419 1.593 1.00 . A A . 64 GLN OE1 1 1 13 7121 1 1 21 LEU C C 12.330 -6.238 -0.496 1.00 . A A . 65 LEU C 1 1 13 7122 1 1 21 LEU CA C 12.431 -7.007 0.830 1.00 . A A . 65 LEU CA 1 1 13 7123 1 1 21 LEU CB C 12.577 -8.511 0.590 1.00 . A A . 65 LEU CB 1 1 13 7124 1 1 21 LEU CD1 C 11.723 -9.833 2.530 1.00 . A A . 65 LEU CD1 1 1 13 7125 1 1 21 LEU CD2 C 14.001 -10.290 1.613 1.00 . A A . 65 LEU CD2 1 1 13 7126 1 1 21 LEU CG C 12.965 -9.201 1.899 1.00 . A A . 65 LEU CG 1 1 13 7127 1 1 21 LEU H H 10.678 -7.667 1.895 1.00 . A A . 65 LEU H 1 1 13 7128 1 1 21 LEU HA H 13.266 -6.647 1.405 1.00 . A A . 65 LEU HA 1 1 13 7129 1 1 21 LEU HB2 H 11.639 -8.912 0.235 1.00 . A A . 65 LEU HB2 1 1 13 7130 1 1 21 LEU HB3 H 13.346 -8.685 -0.147 1.00 . A A . 65 LEU HB3 1 1 13 7131 1 1 21 LEU HD11 H 11.100 -10.256 1.755 1.00 . A A . 65 LEU HD11 1 1 13 7132 1 1 21 LEU HD12 H 12.024 -10.613 3.215 1.00 . A A . 65 LEU HD12 1 1 13 7133 1 1 21 LEU HD13 H 11.167 -9.078 3.066 1.00 . A A . 65 LEU HD13 1 1 13 7134 1 1 21 LEU HD21 H 13.712 -10.839 0.728 1.00 . A A . 65 LEU HD21 1 1 13 7135 1 1 21 LEU HD22 H 14.967 -9.835 1.455 1.00 . A A . 65 LEU HD22 1 1 13 7136 1 1 21 LEU HD23 H 14.055 -10.965 2.454 1.00 . A A . 65 LEU HD23 1 1 13 7137 1 1 21 LEU HG H 13.382 -8.473 2.579 1.00 . A A . 65 LEU HG 1 1 13 7138 1 1 21 LEU N N 11.166 -6.868 1.608 1.00 . A A . 65 LEU N 1 1 13 7139 1 1 21 LEU O O 12.264 -5.025 -0.512 1.00 . A A . 65 LEU O 1 1 13 7140 1 1 22 GLN C C 10.757 -5.996 -3.295 1.00 . A A . 66 GLN C 1 1 13 7141 1 1 22 GLN CA C 12.224 -6.214 -2.916 1.00 . A A . 66 GLN CA 1 1 13 7142 1 1 22 GLN CB C 12.905 -7.144 -3.921 1.00 . A A . 66 GLN CB 1 1 13 7143 1 1 22 GLN CD C 11.932 -8.942 -5.358 1.00 . A A . 66 GLN CD 1 1 13 7144 1 1 22 GLN CG C 12.202 -8.503 -3.917 1.00 . A A . 66 GLN CG 1 1 13 7145 1 1 22 GLN H H 12.375 -7.899 -1.586 1.00 . A A . 66 GLN H 1 1 13 7146 1 1 22 GLN HA H 12.747 -5.272 -2.873 1.00 . A A . 66 GLN HA 1 1 13 7147 1 1 22 GLN HB2 H 12.847 -6.710 -4.909 1.00 . A A . 66 GLN HB2 1 1 13 7148 1 1 22 GLN HB3 H 13.940 -7.276 -3.645 1.00 . A A . 66 GLN HB3 1 1 13 7149 1 1 22 GLN HE21 H 13.661 -9.903 -5.538 1.00 . A A . 66 GLN HE21 1 1 13 7150 1 1 22 GLN HE22 H 12.662 -9.940 -6.911 1.00 . A A . 66 GLN HE22 1 1 13 7151 1 1 22 GLN HG2 H 12.832 -9.232 -3.429 1.00 . A A . 66 GLN HG2 1 1 13 7152 1 1 22 GLN HG3 H 11.265 -8.423 -3.386 1.00 . A A . 66 GLN HG3 1 1 13 7153 1 1 22 GLN N N 12.319 -6.923 -1.608 1.00 . A A . 66 GLN N 1 1 13 7154 1 1 22 GLN NE2 N 12.826 -9.654 -5.988 1.00 . A A . 66 GLN NE2 1 1 13 7155 1 1 22 GLN O O 10.399 -5.994 -4.456 1.00 . A A . 66 GLN O 1 1 13 7156 1 1 22 GLN OE1 O 10.898 -8.634 -5.915 1.00 . A A . 66 GLN OE1 1 1 13 7157 1 1 23 SER C C 7.777 -4.844 -1.489 1.00 . A A . 67 SER C 1 1 13 7158 1 1 23 SER CA C 8.461 -5.598 -2.633 1.00 . A A . 67 SER CA 1 1 13 7159 1 1 23 SER CB C 7.873 -7.001 -2.777 1.00 . A A . 67 SER CB 1 1 13 7160 1 1 23 SER H H 10.210 -5.820 -1.394 1.00 . A A . 67 SER H 1 1 13 7161 1 1 23 SER HA H 8.351 -5.057 -3.560 1.00 . A A . 67 SER HA 1 1 13 7162 1 1 23 SER HB2 H 6.884 -7.025 -2.351 1.00 . A A . 67 SER HB2 1 1 13 7163 1 1 23 SER HB3 H 7.817 -7.260 -3.826 1.00 . A A . 67 SER HB3 1 1 13 7164 1 1 23 SER HG H 9.148 -8.470 -2.744 1.00 . A A . 67 SER HG 1 1 13 7165 1 1 23 SER N N 9.903 -5.815 -2.325 1.00 . A A . 67 SER N 1 1 13 7166 1 1 23 SER O O 8.407 -4.437 -0.534 1.00 . A A . 67 SER O 1 1 13 7167 1 1 23 SER OG O 8.701 -7.929 -2.088 1.00 . A A . 67 SER OG 1 1 13 7168 1 1 24 TYR C C 4.265 -4.281 -0.567 1.00 . A A . 68 TYR C 1 1 13 7169 1 1 24 TYR CA C 5.754 -3.932 -0.505 1.00 . A A . 68 TYR CA 1 1 13 7170 1 1 24 TYR CB C 5.982 -2.450 -0.805 1.00 . A A . 68 TYR CB 1 1 13 7171 1 1 24 TYR CD1 C 6.007 -2.266 -3.319 1.00 . A A . 68 TYR CD1 1 1 13 7172 1 1 24 TYR CD2 C 4.016 -1.580 -2.120 1.00 . A A . 68 TYR CD2 1 1 13 7173 1 1 24 TYR CE1 C 5.393 -1.932 -4.531 1.00 . A A . 68 TYR CE1 1 1 13 7174 1 1 24 TYR CE2 C 3.401 -1.246 -3.332 1.00 . A A . 68 TYR CE2 1 1 13 7175 1 1 24 TYR CG C 5.319 -2.091 -2.113 1.00 . A A . 68 TYR CG 1 1 13 7176 1 1 24 TYR CZ C 4.090 -1.421 -4.538 1.00 . A A . 68 TYR CZ 1 1 13 7177 1 1 24 TYR H H 6.001 -4.995 -2.362 1.00 . A A . 68 TYR H 1 1 13 7178 1 1 24 TYR HA H 6.161 -4.180 0.463 1.00 . A A . 68 TYR HA 1 1 13 7179 1 1 24 TYR HB2 H 5.558 -1.852 -0.012 1.00 . A A . 68 TYR HB2 1 1 13 7180 1 1 24 TYR HB3 H 7.044 -2.260 -0.873 1.00 . A A . 68 TYR HB3 1 1 13 7181 1 1 24 TYR HD1 H 7.013 -2.660 -3.314 1.00 . A A . 68 TYR HD1 1 1 13 7182 1 1 24 TYR HD2 H 3.484 -1.445 -1.189 1.00 . A A . 68 TYR HD2 1 1 13 7183 1 1 24 TYR HE1 H 5.926 -2.067 -5.461 1.00 . A A . 68 TYR HE1 1 1 13 7184 1 1 24 TYR HE2 H 2.395 -0.852 -3.337 1.00 . A A . 68 TYR HE2 1 1 13 7185 1 1 24 TYR HH H 3.946 -0.336 -6.102 1.00 . A A . 68 TYR HH 1 1 13 7186 1 1 24 TYR N N 6.489 -4.658 -1.582 1.00 . A A . 68 TYR N 1 1 13 7187 1 1 24 TYR O O 3.748 -4.640 -1.607 1.00 . A A . 68 TYR O 1 1 13 7188 1 1 24 TYR OH O 3.484 -1.092 -5.733 1.00 . A A . 68 TYR OH 1 1 13 7189 1 1 25 ILE C C 1.311 -3.523 1.338 1.00 . A A . 69 ILE C 1 1 13 7190 1 1 25 ILE CA C 2.121 -4.537 0.523 1.00 . A A . 69 ILE CA 1 1 13 7191 1 1 25 ILE CB C 2.053 -5.932 1.151 1.00 . A A . 69 ILE CB 1 1 13 7192 1 1 25 ILE CD1 C 1.958 -8.363 0.617 1.00 . A A . 69 ILE CD1 1 1 13 7193 1 1 25 ILE CG1 C 2.259 -6.976 0.055 1.00 . A A . 69 ILE CG1 1 1 13 7194 1 1 25 ILE CG2 C 0.688 -6.158 1.810 1.00 . A A . 69 ILE CG2 1 1 13 7195 1 1 25 ILE H H 4.004 -3.912 1.367 1.00 . A A . 69 ILE H 1 1 13 7196 1 1 25 ILE HA H 1.755 -4.580 -0.490 1.00 . A A . 69 ILE HA 1 1 13 7197 1 1 25 ILE HB H 2.831 -6.031 1.893 1.00 . A A . 69 ILE HB 1 1 13 7198 1 1 25 ILE HD11 H 1.999 -8.327 1.696 1.00 . A A . 69 ILE HD11 1 1 13 7199 1 1 25 ILE HD12 H 0.971 -8.670 0.304 1.00 . A A . 69 ILE HD12 1 1 13 7200 1 1 25 ILE HD13 H 2.690 -9.066 0.251 1.00 . A A . 69 ILE HD13 1 1 13 7201 1 1 25 ILE HG12 H 1.593 -6.766 -0.770 1.00 . A A . 69 ILE HG12 1 1 13 7202 1 1 25 ILE HG13 H 3.281 -6.941 -0.289 1.00 . A A . 69 ILE HG13 1 1 13 7203 1 1 25 ILE HG21 H 0.500 -5.372 2.527 1.00 . A A . 69 ILE HG21 1 1 13 7204 1 1 25 ILE HG22 H -0.083 -6.148 1.054 1.00 . A A . 69 ILE HG22 1 1 13 7205 1 1 25 ILE HG23 H 0.686 -7.112 2.315 1.00 . A A . 69 ILE HG23 1 1 13 7206 1 1 25 ILE N N 3.572 -4.193 0.535 1.00 . A A . 69 ILE N 1 1 13 7207 1 1 25 ILE O O 1.510 -3.361 2.526 1.00 . A A . 69 ILE O 1 1 13 7208 1 1 26 CYS C C -1.551 -2.599 2.207 1.00 . A A . 70 CYS C 1 1 13 7209 1 1 26 CYS CA C -0.452 -1.865 1.428 1.00 . A A . 70 CYS CA 1 1 13 7210 1 1 26 CYS CB C -0.999 -0.978 0.303 1.00 . A A . 70 CYS CB 1 1 13 7211 1 1 26 CYS H H 0.238 -3.008 -0.248 1.00 . A A . 70 CYS H 1 1 13 7212 1 1 26 CYS HA H 0.153 -1.277 2.088 1.00 . A A . 70 CYS HA 1 1 13 7213 1 1 26 CYS HB2 H -0.470 -0.042 0.308 1.00 . A A . 70 CYS HB2 1 1 13 7214 1 1 26 CYS HB3 H -0.815 -1.474 -0.629 1.00 . A A . 70 CYS HB3 1 1 13 7215 1 1 26 CYS N N 0.387 -2.855 0.707 1.00 . A A . 70 CYS N 1 1 13 7216 1 1 26 CYS O O -1.683 -3.804 2.125 1.00 . A A . 70 CYS O 1 1 13 7217 1 1 26 CYS SG S -2.781 -0.658 0.470 1.00 . A A . 70 CYS SG 1 1 13 7218 1 1 27 PHE C C -4.707 -1.732 3.681 1.00 . A A . 71 PHE C 1 1 13 7219 1 1 27 PHE CA C -3.412 -2.547 3.752 1.00 . A A . 71 PHE CA 1 1 13 7220 1 1 27 PHE CB C -2.880 -2.596 5.184 1.00 . A A . 71 PHE CB 1 1 13 7221 1 1 27 PHE CD1 C -0.651 -3.694 4.747 1.00 . A A . 71 PHE CD1 1 1 13 7222 1 1 27 PHE CD2 C -2.317 -4.905 6.027 1.00 . A A . 71 PHE CD2 1 1 13 7223 1 1 27 PHE CE1 C 0.232 -4.773 4.873 1.00 . A A . 71 PHE CE1 1 1 13 7224 1 1 27 PHE CE2 C -1.434 -5.985 6.153 1.00 . A A . 71 PHE CE2 1 1 13 7225 1 1 27 PHE CG C -1.925 -3.759 5.324 1.00 . A A . 71 PHE CG 1 1 13 7226 1 1 27 PHE CZ C -0.160 -5.919 5.576 1.00 . A A . 71 PHE CZ 1 1 13 7227 1 1 27 PHE H H -2.206 -0.915 3.019 1.00 . A A . 71 PHE H 1 1 13 7228 1 1 27 PHE HA H -3.579 -3.549 3.389 1.00 . A A . 71 PHE HA 1 1 13 7229 1 1 27 PHE HB2 H -2.360 -1.673 5.408 1.00 . A A . 71 PHE HB2 1 1 13 7230 1 1 27 PHE HB3 H -3.705 -2.724 5.871 1.00 . A A . 71 PHE HB3 1 1 13 7231 1 1 27 PHE HD1 H -0.348 -2.809 4.205 1.00 . A A . 71 PHE HD1 1 1 13 7232 1 1 27 PHE HD2 H -3.300 -4.956 6.472 1.00 . A A . 71 PHE HD2 1 1 13 7233 1 1 27 PHE HE1 H 1.215 -4.725 4.427 1.00 . A A . 71 PHE HE1 1 1 13 7234 1 1 27 PHE HE2 H -1.737 -6.868 6.696 1.00 . A A . 71 PHE HE2 1 1 13 7235 1 1 27 PHE HZ H 0.520 -6.752 5.674 1.00 . A A . 71 PHE HZ 1 1 13 7236 1 1 27 PHE N N -2.331 -1.885 2.965 1.00 . A A . 71 PHE N 1 1 13 7237 1 1 27 PHE O O -5.792 -2.277 3.666 1.00 . A A . 71 PHE O 1 1 13 7238 1 1 28 CYS C C -6.819 0.006 4.654 1.00 . A A . 72 CYS C 1 1 13 7239 1 1 28 CYS CA C -5.829 0.411 3.562 1.00 . A A . 72 CYS CA 1 1 13 7240 1 1 28 CYS CB C -6.414 0.135 2.180 1.00 . A A . 72 CYS CB 1 1 13 7241 1 1 28 CYS H H -3.718 -0.013 3.645 1.00 . A A . 72 CYS H 1 1 13 7242 1 1 28 CYS HA H -5.574 1.453 3.651 1.00 . A A . 72 CYS HA 1 1 13 7243 1 1 28 CYS HB2 H -5.663 -0.340 1.565 1.00 . A A . 72 CYS HB2 1 1 13 7244 1 1 28 CYS HB3 H -7.271 -0.519 2.275 1.00 . A A . 72 CYS HB3 1 1 13 7245 1 1 28 CYS N N -4.602 -0.434 3.635 1.00 . A A . 72 CYS N 1 1 13 7246 1 1 28 CYS O O -6.452 -0.571 5.659 1.00 . A A . 72 CYS O 1 1 13 7247 1 1 28 CYS SG S -6.925 1.694 1.417 1.00 . A A . 72 CYS SG 1 1 13 7248 1 1 29 LEU C C -10.059 -1.089 4.893 1.00 . A A . 73 LEU C 1 1 13 7249 1 1 29 LEU CA C -9.093 -0.062 5.486 1.00 . A A . 73 LEU CA 1 1 13 7250 1 1 29 LEU CB C -9.822 1.249 5.807 1.00 . A A . 73 LEU CB 1 1 13 7251 1 1 29 LEU CD1 C -9.552 3.730 6.036 1.00 . A A . 73 LEU CD1 1 1 13 7252 1 1 29 LEU CD2 C -7.919 2.189 7.132 1.00 . A A . 73 LEU CD2 1 1 13 7253 1 1 29 LEU CG C -8.810 2.398 5.904 1.00 . A A . 73 LEU CG 1 1 13 7254 1 1 29 LEU H H -8.349 0.769 3.644 1.00 . A A . 73 LEU H 1 1 13 7255 1 1 29 LEU HA H -8.619 -0.452 6.372 1.00 . A A . 73 LEU HA 1 1 13 7256 1 1 29 LEU HB2 H -10.536 1.463 5.025 1.00 . A A . 73 LEU HB2 1 1 13 7257 1 1 29 LEU HB3 H -10.340 1.151 6.749 1.00 . A A . 73 LEU HB3 1 1 13 7258 1 1 29 LEU HD11 H -10.376 3.755 5.337 1.00 . A A . 73 LEU HD11 1 1 13 7259 1 1 29 LEU HD12 H -9.931 3.833 7.042 1.00 . A A . 73 LEU HD12 1 1 13 7260 1 1 29 LEU HD13 H -8.874 4.544 5.822 1.00 . A A . 73 LEU HD13 1 1 13 7261 1 1 29 LEU HD21 H -7.611 1.155 7.182 1.00 . A A . 73 LEU HD21 1 1 13 7262 1 1 29 LEU HD22 H -7.046 2.821 7.055 1.00 . A A . 73 LEU HD22 1 1 13 7263 1 1 29 LEU HD23 H -8.470 2.444 8.025 1.00 . A A . 73 LEU HD23 1 1 13 7264 1 1 29 LEU HG H -8.199 2.415 5.013 1.00 . A A . 73 LEU HG 1 1 13 7265 1 1 29 LEU N N -8.074 0.303 4.463 1.00 . A A . 73 LEU N 1 1 13 7266 1 1 29 LEU O O -9.871 -1.544 3.784 1.00 . A A . 73 LEU O 1 1 13 7267 1 1 30 PRO C C -12.837 -1.836 3.977 1.00 . A A . 74 PRO C 1 1 13 7268 1 1 30 PRO CA C -12.077 -2.404 5.180 1.00 . A A . 74 PRO CA 1 1 13 7269 1 1 30 PRO CB C -13.015 -2.587 6.376 1.00 . A A . 74 PRO CB 1 1 13 7270 1 1 30 PRO CD C -11.368 -0.923 6.992 1.00 . A A . 74 PRO CD 1 1 13 7271 1 1 30 PRO CG C -12.326 -1.944 7.542 1.00 . A A . 74 PRO CG 1 1 13 7272 1 1 30 PRO HA H -11.607 -3.340 4.929 1.00 . A A . 74 PRO HA 1 1 13 7273 1 1 30 PRO HB2 H -13.961 -2.096 6.183 1.00 . A A . 74 PRO HB2 1 1 13 7274 1 1 30 PRO HB3 H -13.169 -3.636 6.573 1.00 . A A . 74 PRO HB3 1 1 13 7275 1 1 30 PRO HD2 H -11.838 0.049 6.944 1.00 . A A . 74 PRO HD2 1 1 13 7276 1 1 30 PRO HD3 H -10.468 -0.886 7.585 1.00 . A A . 74 PRO HD3 1 1 13 7277 1 1 30 PRO HG2 H -13.055 -1.461 8.179 1.00 . A A . 74 PRO HG2 1 1 13 7278 1 1 30 PRO HG3 H -11.781 -2.687 8.103 1.00 . A A . 74 PRO HG3 1 1 13 7279 1 1 30 PRO N N -11.069 -1.421 5.651 1.00 . A A . 74 PRO N 1 1 13 7280 1 1 30 PRO O O -13.608 -2.523 3.334 1.00 . A A . 74 PRO O 1 1 13 7281 1 1 31 ALA C C -12.513 -0.087 1.241 1.00 . A A . 75 ALA C 1 1 13 7282 1 1 31 ALA CA C -13.341 0.044 2.523 1.00 . A A . 75 ALA CA 1 1 13 7283 1 1 31 ALA CB C -13.479 1.513 2.916 1.00 . A A . 75 ALA CB 1 1 13 7284 1 1 31 ALA H H -12.012 -0.049 4.213 1.00 . A A . 75 ALA H 1 1 13 7285 1 1 31 ALA HA H -14.316 -0.397 2.394 1.00 . A A . 75 ALA HA 1 1 13 7286 1 1 31 ALA HB1 H -12.616 1.812 3.495 1.00 . A A . 75 ALA HB1 1 1 13 7287 1 1 31 ALA HB2 H -13.542 2.119 2.025 1.00 . A A . 75 ALA HB2 1 1 13 7288 1 1 31 ALA HB3 H -14.373 1.646 3.507 1.00 . A A . 75 ALA HB3 1 1 13 7289 1 1 31 ALA N N -12.631 -0.584 3.675 1.00 . A A . 75 ALA N 1 1 13 7290 1 1 31 ALA O O -12.889 0.412 0.198 1.00 . A A . 75 ALA O 1 1 13 7291 1 1 32 PHE C C -9.762 -2.212 0.138 1.00 . A A . 76 PHE C 1 1 13 7292 1 1 32 PHE CA C -10.545 -0.897 0.087 1.00 . A A . 76 PHE CA 1 1 13 7293 1 1 32 PHE CB C -9.591 0.298 0.118 1.00 . A A . 76 PHE CB 1 1 13 7294 1 1 32 PHE CD1 C -10.616 1.928 1.743 1.00 . A A . 76 PHE CD1 1 1 13 7295 1 1 32 PHE CD2 C -10.840 2.357 -0.634 1.00 . A A . 76 PHE CD2 1 1 13 7296 1 1 32 PHE CE1 C -11.336 3.096 2.021 1.00 . A A . 76 PHE CE1 1 1 13 7297 1 1 32 PHE CE2 C -11.560 3.525 -0.355 1.00 . A A . 76 PHE CE2 1 1 13 7298 1 1 32 PHE CG C -10.369 1.558 0.417 1.00 . A A . 76 PHE CG 1 1 13 7299 1 1 32 PHE CZ C -11.808 3.894 0.972 1.00 . A A . 76 PHE CZ 1 1 13 7300 1 1 32 PHE H H -11.100 -1.139 2.152 1.00 . A A . 76 PHE H 1 1 13 7301 1 1 32 PHE HA H -11.157 -0.857 -0.798 1.00 . A A . 76 PHE HA 1 1 13 7302 1 1 32 PHE HB2 H -8.846 0.143 0.886 1.00 . A A . 76 PHE HB2 1 1 13 7303 1 1 32 PHE HB3 H -9.105 0.394 -0.843 1.00 . A A . 76 PHE HB3 1 1 13 7304 1 1 32 PHE HD1 H -10.252 1.313 2.552 1.00 . A A . 76 PHE HD1 1 1 13 7305 1 1 32 PHE HD2 H -10.649 2.072 -1.657 1.00 . A A . 76 PHE HD2 1 1 13 7306 1 1 32 PHE HE1 H -11.527 3.381 3.045 1.00 . A A . 76 PHE HE1 1 1 13 7307 1 1 32 PHE HE2 H -11.924 4.140 -1.164 1.00 . A A . 76 PHE HE2 1 1 13 7308 1 1 32 PHE HZ H -12.363 4.796 1.187 1.00 . A A . 76 PHE HZ 1 1 13 7309 1 1 32 PHE N N -11.390 -0.746 1.305 1.00 . A A . 76 PHE N 1 1 13 7310 1 1 32 PHE O O -9.735 -2.891 1.145 1.00 . A A . 76 PHE O 1 1 13 7311 1 1 33 GLU C C -7.585 -3.988 -2.280 1.00 . A A . 77 GLU C 1 1 13 7312 1 1 33 GLU CA C -8.340 -3.845 -0.955 1.00 . A A . 77 GLU CA 1 1 13 7313 1 1 33 GLU CB C -9.384 -4.953 -0.809 1.00 . A A . 77 GLU CB 1 1 13 7314 1 1 33 GLU CD C -11.198 -6.090 -2.096 1.00 . A A . 77 GLU CD 1 1 13 7315 1 1 33 GLU CG C -10.485 -4.759 -1.853 1.00 . A A . 77 GLU CG 1 1 13 7316 1 1 33 GLU H H -9.156 -2.011 -1.743 1.00 . A A . 77 GLU H 1 1 13 7317 1 1 33 GLU HA H -7.654 -3.873 -0.124 1.00 . A A . 77 GLU HA 1 1 13 7318 1 1 33 GLU HB2 H -8.911 -5.913 -0.957 1.00 . A A . 77 GLU HB2 1 1 13 7319 1 1 33 GLU HB3 H -9.817 -4.913 0.179 1.00 . A A . 77 GLU HB3 1 1 13 7320 1 1 33 GLU HG2 H -11.196 -4.028 -1.495 1.00 . A A . 77 GLU HG2 1 1 13 7321 1 1 33 GLU HG3 H -10.047 -4.414 -2.778 1.00 . A A . 77 GLU HG3 1 1 13 7322 1 1 33 GLU N N -9.123 -2.574 -0.942 1.00 . A A . 77 GLU N 1 1 13 7323 1 1 33 GLU O O -8.037 -3.540 -3.314 1.00 . A A . 77 GLU O 1 1 13 7324 1 1 33 GLU OE1 O -10.554 -7.008 -2.576 1.00 . A A . 77 GLU OE1 1 1 13 7325 1 1 33 GLU OE2 O -12.379 -6.169 -1.798 1.00 . A A . 77 GLU OE2 1 1 13 7326 1 1 34 GLY C C -4.227 -4.279 -3.300 1.00 . A A . 78 GLY C 1 1 13 7327 1 1 34 GLY CA C -5.656 -4.783 -3.513 1.00 . A A . 78 GLY CA 1 1 13 7328 1 1 34 GLY H H -6.091 -4.965 -1.410 1.00 . A A . 78 GLY H 1 1 13 7329 1 1 34 GLY HA2 H -5.633 -5.829 -3.782 1.00 . A A . 78 GLY HA2 1 1 13 7330 1 1 34 GLY HA3 H -6.119 -4.216 -4.306 1.00 . A A . 78 GLY HA3 1 1 13 7331 1 1 34 GLY N N -6.437 -4.611 -2.255 1.00 . A A . 78 GLY N 1 1 13 7332 1 1 34 GLY O O -3.887 -3.772 -2.249 1.00 . A A . 78 GLY O 1 1 13 7333 1 1 35 ARG C C -1.951 -2.576 -3.447 1.00 . A A . 79 ARG C 1 1 13 7334 1 1 35 ARG CA C -1.979 -3.939 -4.145 1.00 . A A . 79 ARG CA 1 1 13 7335 1 1 35 ARG CB C -1.450 -3.821 -5.574 1.00 . A A . 79 ARG CB 1 1 13 7336 1 1 35 ARG CD C -1.918 -5.078 -7.683 1.00 . A A . 79 ARG CD 1 1 13 7337 1 1 35 ARG CG C -1.446 -5.202 -6.233 1.00 . A A . 79 ARG CG 1 1 13 7338 1 1 35 ARG CZ C -4.251 -5.550 -8.128 1.00 . A A . 79 ARG CZ 1 1 13 7339 1 1 35 ARG H H -3.680 -4.822 -5.130 1.00 . A A . 79 ARG H 1 1 13 7340 1 1 35 ARG HA H -1.394 -4.657 -3.592 1.00 . A A . 79 ARG HA 1 1 13 7341 1 1 35 ARG HB2 H -2.084 -3.154 -6.139 1.00 . A A . 79 ARG HB2 1 1 13 7342 1 1 35 ARG HB3 H -0.443 -3.431 -5.555 1.00 . A A . 79 ARG HB3 1 1 13 7343 1 1 35 ARG HD2 H -1.384 -4.282 -8.183 1.00 . A A . 79 ARG HD2 1 1 13 7344 1 1 35 ARG HD3 H -1.781 -6.013 -8.205 1.00 . A A . 79 ARG HD3 1 1 13 7345 1 1 35 ARG HE H -3.660 -3.944 -7.120 1.00 . A A . 79 ARG HE 1 1 13 7346 1 1 35 ARG HG2 H -0.444 -5.608 -6.212 1.00 . A A . 79 ARG HG2 1 1 13 7347 1 1 35 ARG HG3 H -2.112 -5.859 -5.694 1.00 . A A . 79 ARG HG3 1 1 13 7348 1 1 35 ARG HH11 H -3.037 -6.147 -9.603 1.00 . A A . 79 ARG HH11 1 1 13 7349 1 1 35 ARG HH12 H -4.623 -6.842 -9.611 1.00 . A A . 79 ARG HH12 1 1 13 7350 1 1 35 ARG HH21 H -5.672 -5.139 -6.779 1.00 . A A . 79 ARG HH21 1 1 13 7351 1 1 35 ARG HH22 H -6.115 -6.272 -8.012 1.00 . A A . 79 ARG HH22 1 1 13 7352 1 1 35 ARG N N -3.387 -4.412 -4.290 1.00 . A A . 79 ARG N 1 1 13 7353 1 1 35 ARG NE N -3.369 -4.755 -7.587 1.00 . A A . 79 ARG NE 1 1 13 7354 1 1 35 ARG NH1 N -3.947 -6.233 -9.198 1.00 . A A . 79 ARG NH1 1 1 13 7355 1 1 35 ARG NH2 N -5.439 -5.662 -7.598 1.00 . A A . 79 ARG NH2 1 1 13 7356 1 1 35 ARG O O -1.239 -2.374 -2.485 1.00 . A A . 79 ARG O 1 1 13 7357 1 1 36 ASN C C -4.154 -0.009 -2.743 1.00 . A A . 80 ASN C 1 1 13 7358 1 1 36 ASN CA C -2.753 -0.294 -3.286 1.00 . A A . 80 ASN CA 1 1 13 7359 1 1 36 ASN CB C -2.400 0.683 -4.408 1.00 . A A . 80 ASN CB 1 1 13 7360 1 1 36 ASN CG C -1.172 0.173 -5.163 1.00 . A A . 80 ASN CG 1 1 13 7361 1 1 36 ASN H H -3.300 -1.827 -4.699 1.00 . A A . 80 ASN H 1 1 13 7362 1 1 36 ASN HA H -2.022 -0.234 -2.497 1.00 . A A . 80 ASN HA 1 1 13 7363 1 1 36 ASN HB2 H -3.235 0.764 -5.090 1.00 . A A . 80 ASN HB2 1 1 13 7364 1 1 36 ASN HB3 H -2.184 1.653 -3.986 1.00 . A A . 80 ASN HB3 1 1 13 7365 1 1 36 ASN HD21 H -0.194 -0.332 -3.507 1.00 . A A . 80 ASN HD21 1 1 13 7366 1 1 36 ASN HD22 H 0.635 -0.634 -4.968 1.00 . A A . 80 ASN HD22 1 1 13 7367 1 1 36 ASN N N -2.728 -1.641 -3.924 1.00 . A A . 80 ASN N 1 1 13 7368 1 1 36 ASN ND2 N -0.160 -0.303 -4.490 1.00 . A A . 80 ASN ND2 1 1 13 7369 1 1 36 ASN O O -4.482 1.107 -2.392 1.00 . A A . 80 ASN O 1 1 13 7370 1 1 36 ASN OD1 O -1.131 0.209 -6.376 1.00 . A A . 80 ASN OD1 1 1 13 7371 1 1 37 CYS C C -7.106 0.202 -3.042 1.00 . A A . 81 CYS C 1 1 13 7372 1 1 37 CYS CA C -6.364 -0.813 -2.160 1.00 . A A . 81 CYS CA 1 1 13 7373 1 1 37 CYS CB C -6.173 -0.324 -0.708 1.00 . A A . 81 CYS CB 1 1 13 7374 1 1 37 CYS H H -4.694 -1.905 -2.966 1.00 . A A . 81 CYS H 1 1 13 7375 1 1 37 CYS HA H -6.895 -1.752 -2.159 1.00 . A A . 81 CYS HA 1 1 13 7376 1 1 37 CYS HB2 H -6.851 -0.860 -0.063 1.00 . A A . 81 CYS HB2 1 1 13 7377 1 1 37 CYS HB3 H -5.157 -0.532 -0.400 1.00 . A A . 81 CYS HB3 1 1 13 7378 1 1 37 CYS N N -4.982 -1.014 -2.676 1.00 . A A . 81 CYS N 1 1 13 7379 1 1 37 CYS O O -8.147 0.711 -2.681 1.00 . A A . 81 CYS O 1 1 13 7380 1 1 37 CYS SG S -6.487 1.457 -0.541 1.00 . A A . 81 CYS SG 1 1 13 7381 1 1 38 GLU C C -8.634 0.957 -5.483 1.00 . A A . 82 GLU C 1 1 13 7382 1 1 38 GLU CA C -7.242 1.467 -5.104 1.00 . A A . 82 GLU CA 1 1 13 7383 1 1 38 GLU CB C -6.340 1.540 -6.339 1.00 . A A . 82 GLU CB 1 1 13 7384 1 1 38 GLU CD C -6.235 2.171 -8.755 1.00 . A A . 82 GLU CD 1 1 13 7385 1 1 38 GLU CG C -7.115 2.162 -7.503 1.00 . A A . 82 GLU CG 1 1 13 7386 1 1 38 GLU H H -5.733 0.068 -4.470 1.00 . A A . 82 GLU H 1 1 13 7387 1 1 38 GLU HA H -7.307 2.436 -4.637 1.00 . A A . 82 GLU HA 1 1 13 7388 1 1 38 GLU HB2 H -5.474 2.149 -6.116 1.00 . A A . 82 GLU HB2 1 1 13 7389 1 1 38 GLU HB3 H -6.022 0.543 -6.611 1.00 . A A . 82 GLU HB3 1 1 13 7390 1 1 38 GLU HG2 H -8.006 1.579 -7.693 1.00 . A A . 82 GLU HG2 1 1 13 7391 1 1 38 GLU HG3 H -7.391 3.173 -7.253 1.00 . A A . 82 GLU HG3 1 1 13 7392 1 1 38 GLU N N -6.572 0.494 -4.197 1.00 . A A . 82 GLU N 1 1 13 7393 1 1 38 GLU O O -9.482 1.706 -5.927 1.00 . A A . 82 GLU O 1 1 13 7394 1 1 38 GLU OE1 O -5.137 1.642 -8.687 1.00 . A A . 82 GLU OE1 1 1 13 7395 1 1 38 GLU OE2 O -6.673 2.705 -9.759 1.00 . A A . 82 GLU OE2 1 1 13 7396 1 1 39 THR C C -11.217 -0.580 -4.544 1.00 . A A . 83 THR C 1 1 13 7397 1 1 39 THR CA C -10.213 -0.873 -5.662 1.00 . A A . 83 THR CA 1 1 13 7398 1 1 39 THR CB C -9.988 -2.380 -5.799 1.00 . A A . 83 THR CB 1 1 13 7399 1 1 39 THR CG2 C -11.324 -3.075 -6.063 1.00 . A A . 83 THR CG2 1 1 13 7400 1 1 39 THR H H -8.176 -0.900 -4.952 1.00 . A A . 83 THR H 1 1 13 7401 1 1 39 THR HA H -10.558 -0.466 -6.598 1.00 . A A . 83 THR HA 1 1 13 7402 1 1 39 THR HB H -9.561 -2.766 -4.885 1.00 . A A . 83 THR HB 1 1 13 7403 1 1 39 THR HG1 H -8.201 -2.530 -6.554 1.00 . A A . 83 THR HG1 1 1 13 7404 1 1 39 THR HG21 H -12.124 -2.494 -5.631 1.00 . A A . 83 THR HG21 1 1 13 7405 1 1 39 THR HG22 H -11.478 -3.164 -7.129 1.00 . A A . 83 THR HG22 1 1 13 7406 1 1 39 THR HG23 H -11.312 -4.059 -5.617 1.00 . A A . 83 THR HG23 1 1 13 7407 1 1 39 THR N N -8.875 -0.314 -5.311 1.00 . A A . 83 THR N 1 1 13 7408 1 1 39 THR O O -11.577 -1.448 -3.775 1.00 . A A . 83 THR O 1 1 13 7409 1 1 39 THR OG1 O -9.099 -2.628 -6.879 1.00 . A A . 83 THR OG1 1 1 13 7410 1 1 40 HIS C C -13.755 -0.072 -3.311 1.00 . A A . 84 HIS C 1 1 13 7411 1 1 40 HIS CA C -12.653 0.989 -3.383 1.00 . A A . 84 HIS CA 1 1 13 7412 1 1 40 HIS CB C -13.235 2.338 -3.805 1.00 . A A . 84 HIS CB 1 1 13 7413 1 1 40 HIS CD2 C -14.630 3.265 -1.779 1.00 . A A . 84 HIS CD2 1 1 13 7414 1 1 40 HIS CE1 C -16.600 2.667 -2.454 1.00 . A A . 84 HIS CE1 1 1 13 7415 1 1 40 HIS CG C -14.462 2.633 -2.987 1.00 . A A . 84 HIS CG 1 1 13 7416 1 1 40 HIS H H -11.369 1.327 -5.081 1.00 . A A . 84 HIS H 1 1 13 7417 1 1 40 HIS HA H -12.157 1.083 -2.431 1.00 . A A . 84 HIS HA 1 1 13 7418 1 1 40 HIS HB2 H -12.499 3.113 -3.644 1.00 . A A . 84 HIS HB2 1 1 13 7419 1 1 40 HIS HB3 H -13.500 2.305 -4.851 1.00 . A A . 84 HIS HB3 1 1 13 7420 1 1 40 HIS HD1 H -15.956 1.786 -4.227 1.00 . A A . 84 HIS HD1 1 1 13 7421 1 1 40 HIS HD2 H -13.834 3.684 -1.180 1.00 . A A . 84 HIS HD2 1 1 13 7422 1 1 40 HIS HE1 H -17.667 2.511 -2.505 1.00 . A A . 84 HIS HE1 1 1 13 7423 1 1 40 HIS N N -11.672 0.640 -4.450 1.00 . A A . 84 HIS N 1 1 13 7424 1 1 40 HIS ND1 N -15.732 2.260 -3.398 1.00 . A A . 84 HIS ND1 1 1 13 7425 1 1 40 HIS NE2 N -15.980 3.285 -1.444 1.00 . A A . 84 HIS NE2 1 1 13 7426 1 1 40 HIS O O -14.610 -0.150 -4.169 1.00 . A A . 84 HIS O 1 1 13 7427 1 1 41 LYS C C -16.160 -1.375 -2.526 1.00 . A A . 85 LYS C 1 1 13 7428 1 1 41 LYS CA C -14.785 -1.945 -2.166 1.00 . A A . 85 LYS CA 1 1 13 7429 1 1 41 LYS CB C -14.746 -2.364 -0.697 1.00 . A A . 85 LYS CB 1 1 13 7430 1 1 41 LYS CD C -13.446 -3.632 1.017 1.00 . A A . 85 LYS CD 1 1 13 7431 1 1 41 LYS CE C -13.212 -5.127 1.244 1.00 . A A . 85 LYS CE 1 1 13 7432 1 1 41 LYS CG C -13.607 -3.360 -0.479 1.00 . A A . 85 LYS CG 1 1 13 7433 1 1 41 LYS H H -13.039 -0.809 -1.612 1.00 . A A . 85 LYS H 1 1 13 7434 1 1 41 LYS HA H -14.548 -2.788 -2.796 1.00 . A A . 85 LYS HA 1 1 13 7435 1 1 41 LYS HB2 H -14.587 -1.492 -0.077 1.00 . A A . 85 LYS HB2 1 1 13 7436 1 1 41 LYS HB3 H -15.685 -2.830 -0.431 1.00 . A A . 85 LYS HB3 1 1 13 7437 1 1 41 LYS HD2 H -12.602 -3.073 1.397 1.00 . A A . 85 LYS HD2 1 1 13 7438 1 1 41 LYS HD3 H -14.342 -3.329 1.537 1.00 . A A . 85 LYS HD3 1 1 13 7439 1 1 41 LYS HE2 H -13.726 -5.706 0.488 1.00 . A A . 85 LYS HE2 1 1 13 7440 1 1 41 LYS HE3 H -12.156 -5.348 1.235 1.00 . A A . 85 LYS HE3 1 1 13 7441 1 1 41 LYS HG2 H -13.833 -4.284 -0.992 1.00 . A A . 85 LYS HG2 1 1 13 7442 1 1 41 LYS HG3 H -12.688 -2.947 -0.868 1.00 . A A . 85 LYS HG3 1 1 13 7443 1 1 41 LYS HZ1 H -13.294 -4.822 3.300 1.00 . A A . 85 LYS HZ1 1 1 13 7444 1 1 41 LYS HZ2 H -14.794 -5.178 2.595 1.00 . A A . 85 LYS HZ2 1 1 13 7445 1 1 41 LYS HZ3 H -13.649 -6.412 2.821 1.00 . A A . 85 LYS HZ3 1 1 13 7446 1 1 41 LYS N N -13.739 -0.889 -2.293 1.00 . A A . 85 LYS N 1 1 13 7447 1 1 41 LYS NZ N -13.780 -5.407 2.592 1.00 . A A . 85 LYS NZ 1 1 13 7448 1 1 41 LYS O O -16.345 -0.179 -2.362 1.00 . A A . 85 LYS O 1 1 13 7449 1 1 41 LYS OXT O -17.003 -2.143 -2.957 1.00 . A A . 85 LYS OXT 1 1 14 7450 1 1 1 SER C C 19.096 1.988 -1.909 1.00 . A A . 45 SER C 1 1 14 7451 1 1 1 SER CA C 19.375 3.467 -2.185 1.00 . A A . 45 SER CA 1 1 14 7452 1 1 1 SER CB C 19.293 3.757 -3.684 1.00 . A A . 45 SER CB 1 1 14 7453 1 1 1 SER H1 H 21.405 3.019 -2.047 1.00 . A A . 45 SER H1 1 1 14 7454 1 1 1 SER H2 H 21.076 4.664 -2.312 1.00 . A A . 45 SER H2 1 1 14 7455 1 1 1 SER H3 H 20.822 3.980 -0.778 1.00 . A A . 45 SER H3 1 1 14 7456 1 1 1 SER HA H 18.675 4.090 -1.651 1.00 . A A . 45 SER HA 1 1 14 7457 1 1 1 SER HB2 H 19.391 4.817 -3.853 1.00 . A A . 45 SER HB2 1 1 14 7458 1 1 1 SER HB3 H 20.093 3.238 -4.193 1.00 . A A . 45 SER HB3 1 1 14 7459 1 1 1 SER HG H 17.472 4.089 -4.284 1.00 . A A . 45 SER HG 1 1 14 7460 1 1 1 SER N N 20.775 3.809 -1.802 1.00 . A A . 45 SER N 1 1 14 7461 1 1 1 SER O O 19.944 1.267 -1.420 1.00 . A A . 45 SER O 1 1 14 7462 1 1 1 SER OG O 18.035 3.318 -4.179 1.00 . A A . 45 SER OG 1 1 14 7463 1 1 2 ASP C C 16.123 -0.178 -2.348 1.00 . A A . 46 ASP C 1 1 14 7464 1 1 2 ASP CA C 17.581 0.096 -1.973 1.00 . A A . 46 ASP CA 1 1 14 7465 1 1 2 ASP CB C 17.798 -0.110 -0.473 1.00 . A A . 46 ASP CB 1 1 14 7466 1 1 2 ASP CG C 17.150 -1.427 -0.039 1.00 . A A . 46 ASP CG 1 1 14 7467 1 1 2 ASP H H 17.244 2.127 -2.611 1.00 . A A . 46 ASP H 1 1 14 7468 1 1 2 ASP HA H 18.243 -0.546 -2.533 1.00 . A A . 46 ASP HA 1 1 14 7469 1 1 2 ASP HB2 H 18.858 -0.143 -0.263 1.00 . A A . 46 ASP HB2 1 1 14 7470 1 1 2 ASP HB3 H 17.348 0.706 0.072 1.00 . A A . 46 ASP HB3 1 1 14 7471 1 1 2 ASP N N 17.915 1.529 -2.218 1.00 . A A . 46 ASP N 1 1 14 7472 1 1 2 ASP O O 15.817 -0.541 -3.466 1.00 . A A . 46 ASP O 1 1 14 7473 1 1 2 ASP OD1 O 17.699 -2.468 -0.361 1.00 . A A . 46 ASP OD1 1 1 14 7474 1 1 2 ASP OD2 O 16.116 -1.370 0.606 1.00 . A A . 46 ASP OD2 1 1 14 7475 1 1 3 GLY C C 13.045 1.079 -1.828 1.00 . A A . 47 GLY C 1 1 14 7476 1 1 3 GLY CA C 13.783 -0.256 -1.726 1.00 . A A . 47 GLY CA 1 1 14 7477 1 1 3 GLY H H 15.488 0.288 -0.526 1.00 . A A . 47 GLY H 1 1 14 7478 1 1 3 GLY HA2 H 13.701 -0.788 -2.664 1.00 . A A . 47 GLY HA2 1 1 14 7479 1 1 3 GLY HA3 H 13.345 -0.846 -0.937 1.00 . A A . 47 GLY HA3 1 1 14 7480 1 1 3 GLY N N 15.220 -0.007 -1.421 1.00 . A A . 47 GLY N 1 1 14 7481 1 1 3 GLY O O 12.774 1.569 -2.907 1.00 . A A . 47 GLY O 1 1 14 7482 1 1 4 ASP C C 10.549 2.792 -1.201 1.00 . A A . 48 ASP C 1 1 14 7483 1 1 4 ASP CA C 11.994 2.984 -0.734 1.00 . A A . 48 ASP CA 1 1 14 7484 1 1 4 ASP CB C 12.763 3.850 -1.731 1.00 . A A . 48 ASP CB 1 1 14 7485 1 1 4 ASP CG C 13.020 5.229 -1.120 1.00 . A A . 48 ASP CG 1 1 14 7486 1 1 4 ASP H H 12.945 1.260 0.147 1.00 . A A . 48 ASP H 1 1 14 7487 1 1 4 ASP HA H 12.015 3.441 0.242 1.00 . A A . 48 ASP HA 1 1 14 7488 1 1 4 ASP HB2 H 13.705 3.377 -1.966 1.00 . A A . 48 ASP HB2 1 1 14 7489 1 1 4 ASP HB3 H 12.180 3.960 -2.632 1.00 . A A . 48 ASP HB3 1 1 14 7490 1 1 4 ASP N N 12.716 1.674 -0.711 1.00 . A A . 48 ASP N 1 1 14 7491 1 1 4 ASP O O 9.792 3.737 -1.309 1.00 . A A . 48 ASP O 1 1 14 7492 1 1 4 ASP OD1 O 12.444 5.513 -0.083 1.00 . A A . 48 ASP OD1 1 1 14 7493 1 1 4 ASP OD2 O 13.789 5.977 -1.699 1.00 . A A . 48 ASP OD2 1 1 14 7494 1 1 5 GLN C C 7.777 2.156 -1.112 1.00 . A A . 49 GLN C 1 1 14 7495 1 1 5 GLN CA C 8.763 1.331 -1.941 1.00 . A A . 49 GLN CA 1 1 14 7496 1 1 5 GLN CB C 8.534 -0.159 -1.719 1.00 . A A . 49 GLN CB 1 1 14 7497 1 1 5 GLN CD C 9.777 -2.257 -2.271 1.00 . A A . 49 GLN CD 1 1 14 7498 1 1 5 GLN CG C 9.219 -0.950 -2.836 1.00 . A A . 49 GLN CG 1 1 14 7499 1 1 5 GLN H H 10.783 0.833 -1.389 1.00 . A A . 49 GLN H 1 1 14 7500 1 1 5 GLN HA H 8.665 1.563 -2.985 1.00 . A A . 49 GLN HA 1 1 14 7501 1 1 5 GLN HB2 H 8.952 -0.444 -0.768 1.00 . A A . 49 GLN HB2 1 1 14 7502 1 1 5 GLN HB3 H 7.475 -0.367 -1.727 1.00 . A A . 49 GLN HB3 1 1 14 7503 1 1 5 GLN HE21 H 10.564 -1.389 -0.664 1.00 . A A . 49 GLN HE21 1 1 14 7504 1 1 5 GLN HE22 H 10.795 -3.075 -0.771 1.00 . A A . 49 GLN HE22 1 1 14 7505 1 1 5 GLN HG2 H 8.502 -1.169 -3.613 1.00 . A A . 49 GLN HG2 1 1 14 7506 1 1 5 GLN HG3 H 10.028 -0.365 -3.247 1.00 . A A . 49 GLN HG3 1 1 14 7507 1 1 5 GLN N N 10.159 1.579 -1.481 1.00 . A A . 49 GLN N 1 1 14 7508 1 1 5 GLN NE2 N 10.433 -2.239 -1.142 1.00 . A A . 49 GLN NE2 1 1 14 7509 1 1 5 GLN O O 6.835 2.722 -1.629 1.00 . A A . 49 GLN O 1 1 14 7510 1 1 5 GLN OE1 O 9.616 -3.306 -2.862 1.00 . A A . 49 GLN OE1 1 1 14 7511 1 1 6 CYS C C 7.471 4.500 1.031 1.00 . A A . 50 CYS C 1 1 14 7512 1 1 6 CYS CA C 7.070 3.021 1.041 1.00 . A A . 50 CYS CA 1 1 14 7513 1 1 6 CYS CB C 7.243 2.432 2.442 1.00 . A A . 50 CYS CB 1 1 14 7514 1 1 6 CYS H H 8.757 1.765 0.566 1.00 . A A . 50 CYS H 1 1 14 7515 1 1 6 CYS HA H 6.048 2.903 0.715 1.00 . A A . 50 CYS HA 1 1 14 7516 1 1 6 CYS HB2 H 8.142 1.833 2.471 1.00 . A A . 50 CYS HB2 1 1 14 7517 1 1 6 CYS HB3 H 7.322 3.233 3.161 1.00 . A A . 50 CYS HB3 1 1 14 7518 1 1 6 CYS N N 7.990 2.229 0.172 1.00 . A A . 50 CYS N 1 1 14 7519 1 1 6 CYS O O 7.442 5.166 2.047 1.00 . A A . 50 CYS O 1 1 14 7520 1 1 6 CYS SG S 5.816 1.396 2.846 1.00 . A A . 50 CYS SG 1 1 14 7521 1 1 7 ALA C C 7.087 7.299 -0.721 1.00 . A A . 51 ALA C 1 1 14 7522 1 1 7 ALA CA C 8.242 6.455 -0.176 1.00 . A A . 51 ALA CA 1 1 14 7523 1 1 7 ALA CB C 9.432 6.490 -1.137 1.00 . A A . 51 ALA CB 1 1 14 7524 1 1 7 ALA H H 7.858 4.470 -0.916 1.00 . A A . 51 ALA H 1 1 14 7525 1 1 7 ALA HA H 8.543 6.810 0.796 1.00 . A A . 51 ALA HA 1 1 14 7526 1 1 7 ALA HB1 H 10.197 5.815 -0.785 1.00 . A A . 51 ALA HB1 1 1 14 7527 1 1 7 ALA HB2 H 9.108 6.185 -2.121 1.00 . A A . 51 ALA HB2 1 1 14 7528 1 1 7 ALA HB3 H 9.829 7.493 -1.182 1.00 . A A . 51 ALA HB3 1 1 14 7529 1 1 7 ALA N N 7.843 5.021 -0.107 1.00 . A A . 51 ALA N 1 1 14 7530 1 1 7 ALA O O 6.636 8.234 -0.089 1.00 . A A . 51 ALA O 1 1 14 7531 1 1 8 SER C C 4.148 7.292 -1.871 1.00 . A A . 52 SER C 1 1 14 7532 1 1 8 SER CA C 5.477 7.757 -2.471 1.00 . A A . 52 SER CA 1 1 14 7533 1 1 8 SER CB C 5.522 7.461 -3.970 1.00 . A A . 52 SER CB 1 1 14 7534 1 1 8 SER H H 6.981 6.217 -2.382 1.00 . A A . 52 SER H 1 1 14 7535 1 1 8 SER HA H 5.620 8.812 -2.300 1.00 . A A . 52 SER HA 1 1 14 7536 1 1 8 SER HB2 H 4.685 7.931 -4.457 1.00 . A A . 52 SER HB2 1 1 14 7537 1 1 8 SER HB3 H 6.442 7.850 -4.386 1.00 . A A . 52 SER HB3 1 1 14 7538 1 1 8 SER HG H 6.342 5.701 -4.099 1.00 . A A . 52 SER HG 1 1 14 7539 1 1 8 SER N N 6.604 6.975 -1.889 1.00 . A A . 52 SER N 1 1 14 7540 1 1 8 SER O O 3.092 7.782 -2.220 1.00 . A A . 52 SER O 1 1 14 7541 1 1 8 SER OG O 5.452 6.055 -4.173 1.00 . A A . 52 SER OG 1 1 14 7542 1 1 9 SER C C 2.069 5.142 -1.390 1.00 . A A . 53 SER C 1 1 14 7543 1 1 9 SER CA C 2.933 5.854 -0.344 1.00 . A A . 53 SER CA 1 1 14 7544 1 1 9 SER CB C 2.227 7.106 0.173 1.00 . A A . 53 SER CB 1 1 14 7545 1 1 9 SER H H 5.055 5.969 -0.700 1.00 . A A . 53 SER H 1 1 14 7546 1 1 9 SER HA H 3.155 5.190 0.476 1.00 . A A . 53 SER HA 1 1 14 7547 1 1 9 SER HB2 H 2.945 7.899 0.304 1.00 . A A . 53 SER HB2 1 1 14 7548 1 1 9 SER HB3 H 1.478 7.417 -0.544 1.00 . A A . 53 SER HB3 1 1 14 7549 1 1 9 SER HG H 2.307 6.764 2.087 1.00 . A A . 53 SER HG 1 1 14 7550 1 1 9 SER N N 4.193 6.350 -0.968 1.00 . A A . 53 SER N 1 1 14 7551 1 1 9 SER O O 1.130 5.711 -1.911 1.00 . A A . 53 SER O 1 1 14 7552 1 1 9 SER OG O 1.615 6.817 1.423 1.00 . A A . 53 SER OG 1 1 14 7553 1 1 10 PRO C C 0.192 3.002 -2.223 1.00 . A A . 54 PRO C 1 1 14 7554 1 1 10 PRO CA C 1.661 3.105 -2.644 1.00 . A A . 54 PRO CA 1 1 14 7555 1 1 10 PRO CB C 2.339 1.733 -2.611 1.00 . A A . 54 PRO CB 1 1 14 7556 1 1 10 PRO CD C 3.526 3.166 -1.063 1.00 . A A . 54 PRO CD 1 1 14 7557 1 1 10 PRO CG C 3.207 1.733 -1.390 1.00 . A A . 54 PRO CG 1 1 14 7558 1 1 10 PRO HA H 1.745 3.536 -3.629 1.00 . A A . 54 PRO HA 1 1 14 7559 1 1 10 PRO HB2 H 1.594 0.951 -2.541 1.00 . A A . 54 PRO HB2 1 1 14 7560 1 1 10 PRO HB3 H 2.947 1.596 -3.493 1.00 . A A . 54 PRO HB3 1 1 14 7561 1 1 10 PRO HD2 H 3.557 3.312 0.009 1.00 . A A . 54 PRO HD2 1 1 14 7562 1 1 10 PRO HD3 H 4.459 3.463 -1.516 1.00 . A A . 54 PRO HD3 1 1 14 7563 1 1 10 PRO HG2 H 2.679 1.273 -0.565 1.00 . A A . 54 PRO HG2 1 1 14 7564 1 1 10 PRO HG3 H 4.121 1.194 -1.587 1.00 . A A . 54 PRO HG3 1 1 14 7565 1 1 10 PRO N N 2.417 3.912 -1.655 1.00 . A A . 54 PRO N 1 1 14 7566 1 1 10 PRO O O -0.700 3.406 -2.943 1.00 . A A . 54 PRO O 1 1 14 7567 1 1 11 CYS C C -2.166 3.720 -0.676 1.00 . A A . 55 CYS C 1 1 14 7568 1 1 11 CYS CA C -1.475 2.353 -0.588 1.00 . A A . 55 CYS CA 1 1 14 7569 1 1 11 CYS CB C -1.364 1.899 0.868 1.00 . A A . 55 CYS CB 1 1 14 7570 1 1 11 CYS H H 0.668 2.158 -0.490 1.00 . A A . 55 CYS H 1 1 14 7571 1 1 11 CYS HA H -2.010 1.619 -1.169 1.00 . A A . 55 CYS HA 1 1 14 7572 1 1 11 CYS HB2 H -0.424 1.387 1.013 1.00 . A A . 55 CYS HB2 1 1 14 7573 1 1 11 CYS HB3 H -1.408 2.764 1.515 1.00 . A A . 55 CYS HB3 1 1 14 7574 1 1 11 CYS N N -0.066 2.471 -1.059 1.00 . A A . 55 CYS N 1 1 14 7575 1 1 11 CYS O O -1.530 4.752 -0.589 1.00 . A A . 55 CYS O 1 1 14 7576 1 1 11 CYS SG S -2.730 0.781 1.275 1.00 . A A . 55 CYS SG 1 1 14 7577 1 1 12 GLN C C -5.500 4.972 -0.180 1.00 . A A . 56 GLN C 1 1 14 7578 1 1 12 GLN CA C -4.182 5.035 -0.954 1.00 . A A . 56 GLN CA 1 1 14 7579 1 1 12 GLN CB C -4.450 5.222 -2.446 1.00 . A A . 56 GLN CB 1 1 14 7580 1 1 12 GLN CD C -3.354 5.159 -4.689 1.00 . A A . 56 GLN CD 1 1 14 7581 1 1 12 GLN CG C -3.121 5.342 -3.189 1.00 . A A . 56 GLN CG 1 1 14 7582 1 1 12 GLN H H -3.950 2.900 -0.925 1.00 . A A . 56 GLN H 1 1 14 7583 1 1 12 GLN HA H -3.565 5.836 -0.586 1.00 . A A . 56 GLN HA 1 1 14 7584 1 1 12 GLN HB2 H -4.998 4.369 -2.822 1.00 . A A . 56 GLN HB2 1 1 14 7585 1 1 12 GLN HB3 H -5.030 6.120 -2.599 1.00 . A A . 56 GLN HB3 1 1 14 7586 1 1 12 GLN HE21 H -4.223 3.383 -4.477 1.00 . A A . 56 GLN HE21 1 1 14 7587 1 1 12 GLN HE22 H -4.092 3.946 -6.082 1.00 . A A . 56 GLN HE22 1 1 14 7588 1 1 12 GLN HG2 H -2.695 6.318 -3.005 1.00 . A A . 56 GLN HG2 1 1 14 7589 1 1 12 GLN HG3 H -2.443 4.580 -2.836 1.00 . A A . 56 GLN HG3 1 1 14 7590 1 1 12 GLN N N -3.457 3.737 -0.854 1.00 . A A . 56 GLN N 1 1 14 7591 1 1 12 GLN NE2 N -3.937 4.073 -5.118 1.00 . A A . 56 GLN NE2 1 1 14 7592 1 1 12 GLN O O -5.820 3.983 0.448 1.00 . A A . 56 GLN O 1 1 14 7593 1 1 12 GLN OE1 O -3.003 6.012 -5.479 1.00 . A A . 56 GLN OE1 1 1 14 7594 1 1 13 ASN C C -7.351 5.766 1.989 1.00 . A A . 57 ASN C 1 1 14 7595 1 1 13 ASN CA C -7.571 6.036 0.499 1.00 . A A . 57 ASN CA 1 1 14 7596 1 1 13 ASN CB C -8.389 4.914 -0.141 1.00 . A A . 57 ASN CB 1 1 14 7597 1 1 13 ASN CG C -8.563 5.200 -1.633 1.00 . A A . 57 ASN CG 1 1 14 7598 1 1 13 ASN H H -5.989 6.810 -0.744 1.00 . A A . 57 ASN H 1 1 14 7599 1 1 13 ASN HA H -8.071 6.981 0.359 1.00 . A A . 57 ASN HA 1 1 14 7600 1 1 13 ASN HB2 H -7.874 3.973 -0.010 1.00 . A A . 57 ASN HB2 1 1 14 7601 1 1 13 ASN HB3 H -9.359 4.863 0.330 1.00 . A A . 57 ASN HB3 1 1 14 7602 1 1 13 ASN HD21 H -7.802 3.454 -2.198 1.00 . A A . 57 ASN HD21 1 1 14 7603 1 1 13 ASN HD22 H -8.294 4.484 -3.466 1.00 . A A . 57 ASN HD22 1 1 14 7604 1 1 13 ASN N N -6.269 6.025 -0.227 1.00 . A A . 57 ASN N 1 1 14 7605 1 1 13 ASN ND2 N -8.190 4.305 -2.504 1.00 . A A . 57 ASN ND2 1 1 14 7606 1 1 13 ASN O O -8.105 5.050 2.619 1.00 . A A . 57 ASN O 1 1 14 7607 1 1 13 ASN OD1 O -9.044 6.251 -2.009 1.00 . A A . 57 ASN OD1 1 1 14 7608 1 1 14 GLY C C -5.402 4.757 4.220 1.00 . A A . 58 GLY C 1 1 14 7609 1 1 14 GLY CA C -6.061 6.122 4.009 1.00 . A A . 58 GLY CA 1 1 14 7610 1 1 14 GLY H H -5.735 6.914 2.032 1.00 . A A . 58 GLY H 1 1 14 7611 1 1 14 GLY HA2 H -5.404 6.899 4.371 1.00 . A A . 58 GLY HA2 1 1 14 7612 1 1 14 GLY HA3 H -6.992 6.156 4.553 1.00 . A A . 58 GLY HA3 1 1 14 7613 1 1 14 GLY N N -6.327 6.338 2.558 1.00 . A A . 58 GLY N 1 1 14 7614 1 1 14 GLY O O -5.330 4.261 5.327 1.00 . A A . 58 GLY O 1 1 14 7615 1 1 15 GLY C C -2.776 3.012 3.624 1.00 . A A . 59 GLY C 1 1 14 7616 1 1 15 GLY CA C -4.265 2.814 3.333 1.00 . A A . 59 GLY CA 1 1 14 7617 1 1 15 GLY H H -4.982 4.557 2.286 1.00 . A A . 59 GLY H 1 1 14 7618 1 1 15 GLY HA2 H -4.728 2.283 4.155 1.00 . A A . 59 GLY HA2 1 1 14 7619 1 1 15 GLY HA3 H -4.380 2.244 2.422 1.00 . A A . 59 GLY HA3 1 1 14 7620 1 1 15 GLY N N -4.918 4.144 3.175 1.00 . A A . 59 GLY N 1 1 14 7621 1 1 15 GLY O O -2.147 3.913 3.105 1.00 . A A . 59 GLY O 1 1 14 7622 1 1 16 SER C C 0.083 1.502 3.791 1.00 . A A . 60 SER C 1 1 14 7623 1 1 16 SER CA C -0.756 2.323 4.775 1.00 . A A . 60 SER CA 1 1 14 7624 1 1 16 SER CB C -0.609 1.773 6.193 1.00 . A A . 60 SER CB 1 1 14 7625 1 1 16 SER H H -2.729 1.459 4.862 1.00 . A A . 60 SER H 1 1 14 7626 1 1 16 SER HA H -0.463 3.360 4.748 1.00 . A A . 60 SER HA 1 1 14 7627 1 1 16 SER HB2 H -1.504 1.980 6.756 1.00 . A A . 60 SER HB2 1 1 14 7628 1 1 16 SER HB3 H -0.455 0.702 6.149 1.00 . A A . 60 SER HB3 1 1 14 7629 1 1 16 SER HG H 0.448 2.209 7.766 1.00 . A A . 60 SER HG 1 1 14 7630 1 1 16 SER N N -2.205 2.179 4.452 1.00 . A A . 60 SER N 1 1 14 7631 1 1 16 SER O O -0.439 0.747 3.000 1.00 . A A . 60 SER O 1 1 14 7632 1 1 16 SER OG O 0.498 2.399 6.827 1.00 . A A . 60 SER OG 1 1 14 7633 1 1 17 CYS C C 3.249 0.015 3.673 1.00 . A A . 61 CYS C 1 1 14 7634 1 1 17 CYS CA C 2.238 0.863 2.894 1.00 . A A . 61 CYS CA 1 1 14 7635 1 1 17 CYS CB C 2.950 1.916 2.037 1.00 . A A . 61 CYS CB 1 1 14 7636 1 1 17 CYS H H 1.788 2.256 4.478 1.00 . A A . 61 CYS H 1 1 14 7637 1 1 17 CYS HA H 1.628 0.234 2.266 1.00 . A A . 61 CYS HA 1 1 14 7638 1 1 17 CYS HB2 H 3.371 1.442 1.164 1.00 . A A . 61 CYS HB2 1 1 14 7639 1 1 17 CYS HB3 H 2.239 2.668 1.730 1.00 . A A . 61 CYS HB3 1 1 14 7640 1 1 17 CYS N N 1.380 1.643 3.833 1.00 . A A . 61 CYS N 1 1 14 7641 1 1 17 CYS O O 3.878 0.480 4.602 1.00 . A A . 61 CYS O 1 1 14 7642 1 1 17 CYS SG S 4.279 2.697 2.991 1.00 . A A . 61 CYS SG 1 1 14 7643 1 1 18 LYS C C 5.671 -2.234 3.207 1.00 . A A . 62 LYS C 1 1 14 7644 1 1 18 LYS CA C 4.382 -2.098 4.021 1.00 . A A . 62 LYS CA 1 1 14 7645 1 1 18 LYS CB C 3.688 -3.453 4.150 1.00 . A A . 62 LYS CB 1 1 14 7646 1 1 18 LYS CD C 3.468 -4.851 6.210 1.00 . A A . 62 LYS CD 1 1 14 7647 1 1 18 LYS CE C 4.021 -6.145 6.813 1.00 . A A . 62 LYS CE 1 1 14 7648 1 1 18 LYS CG C 4.445 -4.318 5.160 1.00 . A A . 62 LYS CG 1 1 14 7649 1 1 18 LYS H H 2.893 -1.582 2.548 1.00 . A A . 62 LYS H 1 1 14 7650 1 1 18 LYS HA H 4.595 -1.698 5.000 1.00 . A A . 62 LYS HA 1 1 14 7651 1 1 18 LYS HB2 H 2.673 -3.308 4.487 1.00 . A A . 62 LYS HB2 1 1 14 7652 1 1 18 LYS HB3 H 3.684 -3.948 3.191 1.00 . A A . 62 LYS HB3 1 1 14 7653 1 1 18 LYS HD2 H 3.342 -4.115 6.990 1.00 . A A . 62 LYS HD2 1 1 14 7654 1 1 18 LYS HD3 H 2.514 -5.051 5.747 1.00 . A A . 62 LYS HD3 1 1 14 7655 1 1 18 LYS HE2 H 3.250 -6.654 7.375 1.00 . A A . 62 LYS HE2 1 1 14 7656 1 1 18 LYS HE3 H 4.410 -6.786 6.037 1.00 . A A . 62 LYS HE3 1 1 14 7657 1 1 18 LYS HG2 H 4.910 -5.148 4.647 1.00 . A A . 62 LYS HG2 1 1 14 7658 1 1 18 LYS HG3 H 5.203 -3.724 5.646 1.00 . A A . 62 LYS HG3 1 1 14 7659 1 1 18 LYS HZ1 H 4.902 -4.768 8.103 1.00 . A A . 62 LYS HZ1 1 1 14 7660 1 1 18 LYS HZ2 H 5.225 -6.390 8.493 1.00 . A A . 62 LYS HZ2 1 1 14 7661 1 1 18 LYS HZ3 H 6.012 -5.662 7.178 1.00 . A A . 62 LYS HZ3 1 1 14 7662 1 1 18 LYS N N 3.410 -1.226 3.301 1.00 . A A . 62 LYS N 1 1 14 7663 1 1 18 LYS NZ N 5.123 -5.709 7.714 1.00 . A A . 62 LYS NZ 1 1 14 7664 1 1 18 LYS O O 5.646 -2.318 1.996 1.00 . A A . 62 LYS O 1 1 14 7665 1 1 19 ASP C C 8.777 -3.706 3.503 1.00 . A A . 63 ASP C 1 1 14 7666 1 1 19 ASP CA C 8.086 -2.392 3.131 1.00 . A A . 63 ASP CA 1 1 14 7667 1 1 19 ASP CB C 8.925 -1.198 3.587 1.00 . A A . 63 ASP CB 1 1 14 7668 1 1 19 ASP CG C 10.256 -1.191 2.834 1.00 . A A . 63 ASP CG 1 1 14 7669 1 1 19 ASP H H 6.794 -2.192 4.843 1.00 . A A . 63 ASP H 1 1 14 7670 1 1 19 ASP HA H 7.921 -2.340 2.067 1.00 . A A . 63 ASP HA 1 1 14 7671 1 1 19 ASP HB2 H 8.389 -0.283 3.383 1.00 . A A . 63 ASP HB2 1 1 14 7672 1 1 19 ASP HB3 H 9.115 -1.275 4.648 1.00 . A A . 63 ASP HB3 1 1 14 7673 1 1 19 ASP N N 6.797 -2.260 3.866 1.00 . A A . 63 ASP N 1 1 14 7674 1 1 19 ASP O O 9.247 -3.881 4.609 1.00 . A A . 63 ASP O 1 1 14 7675 1 1 19 ASP OD1 O 10.826 -2.256 2.667 1.00 . A A . 63 ASP OD1 1 1 14 7676 1 1 19 ASP OD2 O 10.683 -0.119 2.436 1.00 . A A . 63 ASP OD2 1 1 14 7677 1 1 20 GLN C C 10.881 -5.993 2.202 1.00 . A A . 64 GLN C 1 1 14 7678 1 1 20 GLN CA C 9.512 -5.935 2.888 1.00 . A A . 64 GLN CA 1 1 14 7679 1 1 20 GLN CB C 8.593 -7.057 2.355 1.00 . A A . 64 GLN CB 1 1 14 7680 1 1 20 GLN CD C 6.402 -7.639 1.293 1.00 . A A . 64 GLN CD 1 1 14 7681 1 1 20 GLN CG C 7.312 -6.487 1.727 1.00 . A A . 64 GLN CG 1 1 14 7682 1 1 20 GLN H H 8.463 -4.468 1.697 1.00 . A A . 64 GLN H 1 1 14 7683 1 1 20 GLN HA H 9.634 -6.044 3.955 1.00 . A A . 64 GLN HA 1 1 14 7684 1 1 20 GLN HB2 H 9.127 -7.627 1.610 1.00 . A A . 64 GLN HB2 1 1 14 7685 1 1 20 GLN HB3 H 8.324 -7.709 3.174 1.00 . A A . 64 GLN HB3 1 1 14 7686 1 1 20 GLN HE21 H 5.410 -7.685 3.015 1.00 . A A . 64 GLN HE21 1 1 14 7687 1 1 20 GLN HE22 H 4.910 -8.827 1.851 1.00 . A A . 64 GLN HE22 1 1 14 7688 1 1 20 GLN HG2 H 6.797 -5.874 2.451 1.00 . A A . 64 GLN HG2 1 1 14 7689 1 1 20 GLN HG3 H 7.568 -5.890 0.866 1.00 . A A . 64 GLN HG3 1 1 14 7690 1 1 20 GLN N N 8.845 -4.631 2.585 1.00 . A A . 64 GLN N 1 1 14 7691 1 1 20 GLN NE2 N 5.500 -8.087 2.122 1.00 . A A . 64 GLN NE2 1 1 14 7692 1 1 20 GLN O O 11.294 -5.062 1.541 1.00 . A A . 64 GLN O 1 1 14 7693 1 1 20 GLN OE1 O 6.514 -8.134 0.190 1.00 . A A . 64 GLN OE1 1 1 14 7694 1 1 21 LEU C C 12.821 -7.663 0.280 1.00 . A A . 65 LEU C 1 1 14 7695 1 1 21 LEU CA C 12.941 -7.186 1.728 1.00 . A A . 65 LEU CA 1 1 14 7696 1 1 21 LEU CB C 13.693 -8.216 2.570 1.00 . A A . 65 LEU CB 1 1 14 7697 1 1 21 LEU CD1 C 14.243 -8.588 4.979 1.00 . A A . 65 LEU CD1 1 1 14 7698 1 1 21 LEU CD2 C 15.610 -7.004 3.616 1.00 . A A . 65 LEU CD2 1 1 14 7699 1 1 21 LEU CG C 14.202 -7.555 3.853 1.00 . A A . 65 LEU CG 1 1 14 7700 1 1 21 LEU H H 11.246 -7.815 2.905 1.00 . A A . 65 LEU H 1 1 14 7701 1 1 21 LEU HA H 13.447 -6.241 1.766 1.00 . A A . 65 LEU HA 1 1 14 7702 1 1 21 LEU HB2 H 13.027 -9.029 2.823 1.00 . A A . 65 LEU HB2 1 1 14 7703 1 1 21 LEU HB3 H 14.531 -8.599 2.008 1.00 . A A . 65 LEU HB3 1 1 14 7704 1 1 21 LEU HD11 H 14.484 -9.558 4.569 1.00 . A A . 65 LEU HD11 1 1 14 7705 1 1 21 LEU HD12 H 14.995 -8.306 5.700 1.00 . A A . 65 LEU HD12 1 1 14 7706 1 1 21 LEU HD13 H 13.279 -8.632 5.464 1.00 . A A . 65 LEU HD13 1 1 14 7707 1 1 21 LEU HD21 H 15.765 -6.857 2.557 1.00 . A A . 65 LEU HD21 1 1 14 7708 1 1 21 LEU HD22 H 15.718 -6.060 4.130 1.00 . A A . 65 LEU HD22 1 1 14 7709 1 1 21 LEU HD23 H 16.339 -7.705 3.993 1.00 . A A . 65 LEU HD23 1 1 14 7710 1 1 21 LEU HG H 13.538 -6.748 4.129 1.00 . A A . 65 LEU HG 1 1 14 7711 1 1 21 LEU N N 11.594 -7.078 2.362 1.00 . A A . 65 LEU N 1 1 14 7712 1 1 21 LEU O O 13.737 -7.531 -0.506 1.00 . A A . 65 LEU O 1 1 14 7713 1 1 22 GLN C C 10.693 -7.679 -2.268 1.00 . A A . 66 GLN C 1 1 14 7714 1 1 22 GLN CA C 11.511 -8.696 -1.470 1.00 . A A . 66 GLN CA 1 1 14 7715 1 1 22 GLN CB C 10.748 -10.014 -1.336 1.00 . A A . 66 GLN CB 1 1 14 7716 1 1 22 GLN CD C 11.133 -12.364 -0.578 1.00 . A A . 66 GLN CD 1 1 14 7717 1 1 22 GLN CG C 11.425 -10.892 -0.282 1.00 . A A . 66 GLN CG 1 1 14 7718 1 1 22 GLN H H 10.978 -8.302 0.582 1.00 . A A . 66 GLN H 1 1 14 7719 1 1 22 GLN HA H 12.466 -8.868 -1.943 1.00 . A A . 66 GLN HA 1 1 14 7720 1 1 22 GLN HB2 H 9.730 -9.811 -1.036 1.00 . A A . 66 GLN HB2 1 1 14 7721 1 1 22 GLN HB3 H 10.748 -10.529 -2.284 1.00 . A A . 66 GLN HB3 1 1 14 7722 1 1 22 GLN HE21 H 9.269 -12.278 0.100 1.00 . A A . 66 GLN HE21 1 1 14 7723 1 1 22 GLN HE22 H 9.759 -13.794 -0.483 1.00 . A A . 66 GLN HE22 1 1 14 7724 1 1 22 GLN HG2 H 12.493 -10.724 -0.306 1.00 . A A . 66 GLN HG2 1 1 14 7725 1 1 22 GLN HG3 H 11.044 -10.641 0.696 1.00 . A A . 66 GLN HG3 1 1 14 7726 1 1 22 GLN N N 11.699 -8.212 -0.072 1.00 . A A . 66 GLN N 1 1 14 7727 1 1 22 GLN NE2 N 9.956 -12.852 -0.297 1.00 . A A . 66 GLN NE2 1 1 14 7728 1 1 22 GLN O O 10.902 -7.481 -3.448 1.00 . A A . 66 GLN O 1 1 14 7729 1 1 22 GLN OE1 O 11.985 -13.078 -1.071 1.00 . A A . 66 GLN OE1 1 1 14 7730 1 1 23 SER C C 8.187 -5.164 -1.290 1.00 . A A . 67 SER C 1 1 14 7731 1 1 23 SER CA C 8.924 -6.021 -2.325 1.00 . A A . 67 SER CA 1 1 14 7732 1 1 23 SER CB C 7.941 -6.839 -3.162 1.00 . A A . 67 SER CB 1 1 14 7733 1 1 23 SER H H 9.618 -7.209 -0.671 1.00 . A A . 67 SER H 1 1 14 7734 1 1 23 SER HA H 9.532 -5.402 -2.965 1.00 . A A . 67 SER HA 1 1 14 7735 1 1 23 SER HB2 H 7.174 -7.245 -2.525 1.00 . A A . 67 SER HB2 1 1 14 7736 1 1 23 SER HB3 H 7.485 -6.199 -3.907 1.00 . A A . 67 SER HB3 1 1 14 7737 1 1 23 SER HG H 8.020 -8.632 -3.911 1.00 . A A . 67 SER HG 1 1 14 7738 1 1 23 SER N N 9.764 -7.031 -1.623 1.00 . A A . 67 SER N 1 1 14 7739 1 1 23 SER O O 8.775 -4.689 -0.342 1.00 . A A . 67 SER O 1 1 14 7740 1 1 23 SER OG O 8.635 -7.905 -3.796 1.00 . A A . 67 SER OG 1 1 14 7741 1 1 24 TYR C C 4.647 -4.454 -0.598 1.00 . A A . 68 TYR C 1 1 14 7742 1 1 24 TYR CA C 6.141 -4.155 -0.467 1.00 . A A . 68 TYR CA 1 1 14 7743 1 1 24 TYR CB C 6.442 -2.700 -0.825 1.00 . A A . 68 TYR CB 1 1 14 7744 1 1 24 TYR CD1 C 4.488 -1.962 -2.234 1.00 . A A . 68 TYR CD1 1 1 14 7745 1 1 24 TYR CD2 C 6.589 -2.474 -3.330 1.00 . A A . 68 TYR CD2 1 1 14 7746 1 1 24 TYR CE1 C 3.915 -1.657 -3.475 1.00 . A A . 68 TYR CE1 1 1 14 7747 1 1 24 TYR CE2 C 6.016 -2.170 -4.570 1.00 . A A . 68 TYR CE2 1 1 14 7748 1 1 24 TYR CG C 5.825 -2.371 -2.162 1.00 . A A . 68 TYR CG 1 1 14 7749 1 1 24 TYR CZ C 4.679 -1.761 -4.643 1.00 . A A . 68 TYR CZ 1 1 14 7750 1 1 24 TYR H H 6.442 -5.362 -2.223 1.00 . A A . 68 TYR H 1 1 14 7751 1 1 24 TYR HA H 6.480 -4.365 0.535 1.00 . A A . 68 TYR HA 1 1 14 7752 1 1 24 TYR HB2 H 6.029 -2.049 -0.066 1.00 . A A . 68 TYR HB2 1 1 14 7753 1 1 24 TYR HB3 H 7.513 -2.560 -0.876 1.00 . A A . 68 TYR HB3 1 1 14 7754 1 1 24 TYR HD1 H 3.899 -1.881 -1.333 1.00 . A A . 68 TYR HD1 1 1 14 7755 1 1 24 TYR HD2 H 7.620 -2.789 -3.274 1.00 . A A . 68 TYR HD2 1 1 14 7756 1 1 24 TYR HE1 H 2.883 -1.342 -3.530 1.00 . A A . 68 TYR HE1 1 1 14 7757 1 1 24 TYR HE2 H 6.606 -2.250 -5.472 1.00 . A A . 68 TYR HE2 1 1 14 7758 1 1 24 TYR HH H 4.081 -0.505 -5.950 1.00 . A A . 68 TYR HH 1 1 14 7759 1 1 24 TYR N N 6.905 -4.968 -1.455 1.00 . A A . 68 TYR N 1 1 14 7760 1 1 24 TYR O O 4.165 -4.791 -1.661 1.00 . A A . 68 TYR O 1 1 14 7761 1 1 24 TYR OH O 4.115 -1.460 -5.865 1.00 . A A . 68 TYR OH 1 1 14 7762 1 1 25 ILE C C 1.641 -3.601 1.172 1.00 . A A . 69 ILE C 1 1 14 7763 1 1 25 ILE CA C 2.448 -4.640 0.391 1.00 . A A . 69 ILE CA 1 1 14 7764 1 1 25 ILE CB C 2.295 -6.032 1.003 1.00 . A A . 69 ILE CB 1 1 14 7765 1 1 25 ILE CD1 C 2.230 -8.461 0.427 1.00 . A A . 69 ILE CD1 1 1 14 7766 1 1 25 ILE CG1 C 2.656 -7.074 -0.054 1.00 . A A . 69 ILE CG1 1 1 14 7767 1 1 25 ILE CG2 C 0.849 -6.251 1.459 1.00 . A A . 69 ILE CG2 1 1 14 7768 1 1 25 ILE H H 4.311 -4.080 1.324 1.00 . A A . 69 ILE H 1 1 14 7769 1 1 25 ILE HA H 2.129 -4.663 -0.639 1.00 . A A . 69 ILE HA 1 1 14 7770 1 1 25 ILE HB H 2.960 -6.130 1.849 1.00 . A A . 69 ILE HB 1 1 14 7771 1 1 25 ILE HD11 H 2.334 -8.515 1.500 1.00 . A A . 69 ILE HD11 1 1 14 7772 1 1 25 ILE HD12 H 1.199 -8.633 0.155 1.00 . A A . 69 ILE HD12 1 1 14 7773 1 1 25 ILE HD13 H 2.855 -9.209 -0.035 1.00 . A A . 69 ILE HD13 1 1 14 7774 1 1 25 ILE HG12 H 2.142 -6.837 -0.976 1.00 . A A . 69 ILE HG12 1 1 14 7775 1 1 25 ILE HG13 H 3.721 -7.064 -0.222 1.00 . A A . 69 ILE HG13 1 1 14 7776 1 1 25 ILE HG21 H 0.550 -5.441 2.107 1.00 . A A . 69 ILE HG21 1 1 14 7777 1 1 25 ILE HG22 H 0.201 -6.280 0.596 1.00 . A A . 69 ILE HG22 1 1 14 7778 1 1 25 ILE HG23 H 0.778 -7.185 1.995 1.00 . A A . 69 ILE HG23 1 1 14 7779 1 1 25 ILE N N 3.907 -4.347 0.472 1.00 . A A . 69 ILE N 1 1 14 7780 1 1 25 ILE O O 1.852 -3.385 2.348 1.00 . A A . 69 ILE O 1 1 14 7781 1 1 26 CYS C C -1.217 -2.604 2.023 1.00 . A A . 70 CYS C 1 1 14 7782 1 1 26 CYS CA C -0.113 -1.932 1.197 1.00 . A A . 70 CYS CA 1 1 14 7783 1 1 26 CYS CB C -0.662 -1.099 0.030 1.00 . A A . 70 CYS CB 1 1 14 7784 1 1 26 CYS H H 0.568 -3.146 -0.430 1.00 . A A . 70 CYS H 1 1 14 7785 1 1 26 CYS HA H 0.501 -1.313 1.821 1.00 . A A . 70 CYS HA 1 1 14 7786 1 1 26 CYS HB2 H -0.178 -0.143 0.019 1.00 . A A . 70 CYS HB2 1 1 14 7787 1 1 26 CYS HB3 H -0.424 -1.614 -0.876 1.00 . A A . 70 CYS HB3 1 1 14 7788 1 1 26 CYS N N 0.717 -2.958 0.518 1.00 . A A . 70 CYS N 1 1 14 7789 1 1 26 CYS O O -1.427 -3.799 1.954 1.00 . A A . 70 CYS O 1 1 14 7790 1 1 26 CYS SG S -2.462 -0.859 0.123 1.00 . A A . 70 CYS SG 1 1 14 7791 1 1 27 PHE C C -4.124 -1.346 3.789 1.00 . A A . 71 PHE C 1 1 14 7792 1 1 27 PHE CA C -3.016 -2.390 3.639 1.00 . A A . 71 PHE CA 1 1 14 7793 1 1 27 PHE CB C -2.371 -2.686 4.992 1.00 . A A . 71 PHE CB 1 1 14 7794 1 1 27 PHE CD1 C -0.183 -3.835 4.498 1.00 . A A . 71 PHE CD1 1 1 14 7795 1 1 27 PHE CD2 C -2.082 -5.183 5.174 1.00 . A A . 71 PHE CD2 1 1 14 7796 1 1 27 PHE CE1 C 0.602 -4.990 4.400 1.00 . A A . 71 PHE CE1 1 1 14 7797 1 1 27 PHE CE2 C -1.297 -6.338 5.075 1.00 . A A . 71 PHE CE2 1 1 14 7798 1 1 27 PHE CG C -1.525 -3.931 4.885 1.00 . A A . 71 PHE CG 1 1 14 7799 1 1 27 PHE CZ C 0.045 -6.242 4.688 1.00 . A A . 71 PHE CZ 1 1 14 7800 1 1 27 PHE H H -1.722 -0.877 2.824 1.00 . A A . 71 PHE H 1 1 14 7801 1 1 27 PHE HA H -3.404 -3.297 3.204 1.00 . A A . 71 PHE HA 1 1 14 7802 1 1 27 PHE HB2 H -1.747 -1.851 5.285 1.00 . A A . 71 PHE HB2 1 1 14 7803 1 1 27 PHE HB3 H -3.143 -2.839 5.734 1.00 . A A . 71 PHE HB3 1 1 14 7804 1 1 27 PHE HD1 H 0.247 -2.869 4.276 1.00 . A A . 71 PHE HD1 1 1 14 7805 1 1 27 PHE HD2 H -3.117 -5.257 5.473 1.00 . A A . 71 PHE HD2 1 1 14 7806 1 1 27 PHE HE1 H 1.637 -4.916 4.100 1.00 . A A . 71 PHE HE1 1 1 14 7807 1 1 27 PHE HE2 H -1.726 -7.304 5.297 1.00 . A A . 71 PHE HE2 1 1 14 7808 1 1 27 PHE HZ H 0.651 -7.133 4.611 1.00 . A A . 71 PHE HZ 1 1 14 7809 1 1 27 PHE N N -1.918 -1.832 2.797 1.00 . A A . 71 PHE N 1 1 14 7810 1 1 27 PHE O O -4.046 -0.457 4.613 1.00 . A A . 71 PHE O 1 1 14 7811 1 1 28 CYS C C -7.148 -0.728 4.285 1.00 . A A . 72 CYS C 1 1 14 7812 1 1 28 CYS CA C -6.257 -0.444 3.075 1.00 . A A . 72 CYS CA 1 1 14 7813 1 1 28 CYS CB C -7.056 -0.622 1.783 1.00 . A A . 72 CYS CB 1 1 14 7814 1 1 28 CYS H H -5.188 -2.158 2.325 1.00 . A A . 72 CYS H 1 1 14 7815 1 1 28 CYS HA H -5.861 0.557 3.126 1.00 . A A . 72 CYS HA 1 1 14 7816 1 1 28 CYS HB2 H -7.644 -1.523 1.850 1.00 . A A . 72 CYS HB2 1 1 14 7817 1 1 28 CYS HB3 H -7.711 0.227 1.646 1.00 . A A . 72 CYS HB3 1 1 14 7818 1 1 28 CYS N N -5.150 -1.440 2.990 1.00 . A A . 72 CYS N 1 1 14 7819 1 1 28 CYS O O -6.716 -1.284 5.276 1.00 . A A . 72 CYS O 1 1 14 7820 1 1 28 CYS SG S -5.927 -0.745 0.374 1.00 . A A . 72 CYS SG 1 1 14 7821 1 1 29 LEU C C -10.496 -1.461 4.863 1.00 . A A . 73 LEU C 1 1 14 7822 1 1 29 LEU CA C -9.330 -0.588 5.338 1.00 . A A . 73 LEU CA 1 1 14 7823 1 1 29 LEU CB C -9.829 0.803 5.748 1.00 . A A . 73 LEU CB 1 1 14 7824 1 1 29 LEU CD1 C -9.216 3.222 5.932 1.00 . A A . 73 LEU CD1 1 1 14 7825 1 1 29 LEU CD2 C -7.665 1.470 6.811 1.00 . A A . 73 LEU CD2 1 1 14 7826 1 1 29 LEU CG C -8.673 1.809 5.708 1.00 . A A . 73 LEU CG 1 1 14 7827 1 1 29 LEU H H -8.714 0.097 3.393 1.00 . A A . 73 LEU H 1 1 14 7828 1 1 29 LEU HA H -8.815 -1.057 6.163 1.00 . A A . 73 LEU HA 1 1 14 7829 1 1 29 LEU HB2 H -10.604 1.120 5.066 1.00 . A A . 73 LEU HB2 1 1 14 7830 1 1 29 LEU HB3 H -10.228 0.761 6.749 1.00 . A A . 73 LEU HB3 1 1 14 7831 1 1 29 LEU HD11 H -9.839 3.233 6.815 1.00 . A A . 73 LEU HD11 1 1 14 7832 1 1 29 LEU HD12 H -8.392 3.907 6.067 1.00 . A A . 73 LEU HD12 1 1 14 7833 1 1 29 LEU HD13 H -9.800 3.526 5.076 1.00 . A A . 73 LEU HD13 1 1 14 7834 1 1 29 LEU HD21 H -7.490 0.404 6.825 1.00 . A A . 73 LEU HD21 1 1 14 7835 1 1 29 LEU HD22 H -6.735 1.984 6.618 1.00 . A A . 73 LEU HD22 1 1 14 7836 1 1 29 LEU HD23 H -8.058 1.783 7.766 1.00 . A A . 73 LEU HD23 1 1 14 7837 1 1 29 LEU HG H -8.186 1.761 4.744 1.00 . A A . 73 LEU HG 1 1 14 7838 1 1 29 LEU N N -8.392 -0.348 4.204 1.00 . A A . 73 LEU N 1 1 14 7839 1 1 29 LEU O O -10.504 -1.919 3.738 1.00 . A A . 73 LEU O 1 1 14 7840 1 1 30 PRO C C -13.412 -1.850 4.244 1.00 . A A . 74 PRO C 1 1 14 7841 1 1 30 PRO CA C -12.627 -2.493 5.391 1.00 . A A . 74 PRO CA 1 1 14 7842 1 1 30 PRO CB C -13.460 -2.514 6.675 1.00 . A A . 74 PRO CB 1 1 14 7843 1 1 30 PRO CD C -11.510 -1.153 7.105 1.00 . A A . 74 PRO CD 1 1 14 7844 1 1 30 PRO CG C -12.551 -2.020 7.757 1.00 . A A . 74 PRO CG 1 1 14 7845 1 1 30 PRO HA H -12.325 -3.492 5.130 1.00 . A A . 74 PRO HA 1 1 14 7846 1 1 30 PRO HB2 H -14.316 -1.858 6.574 1.00 . A A . 74 PRO HB2 1 1 14 7847 1 1 30 PRO HB3 H -13.781 -3.521 6.896 1.00 . A A . 74 PRO HB3 1 1 14 7848 1 1 30 PRO HD2 H -11.823 -0.118 7.114 1.00 . A A . 74 PRO HD2 1 1 14 7849 1 1 30 PRO HD3 H -10.556 -1.270 7.593 1.00 . A A . 74 PRO HD3 1 1 14 7850 1 1 30 PRO HG2 H -13.116 -1.442 8.476 1.00 . A A . 74 PRO HG2 1 1 14 7851 1 1 30 PRO HG3 H -12.074 -2.854 8.248 1.00 . A A . 74 PRO HG3 1 1 14 7852 1 1 30 PRO N N -11.445 -1.664 5.736 1.00 . A A . 74 PRO N 1 1 14 7853 1 1 30 PRO O O -14.306 -2.449 3.678 1.00 . A A . 74 PRO O 1 1 14 7854 1 1 31 ALA C C -13.180 -0.302 1.438 1.00 . A A . 75 ALA C 1 1 14 7855 1 1 31 ALA CA C -13.815 0.047 2.788 1.00 . A A . 75 ALA CA 1 1 14 7856 1 1 31 ALA CB C -13.666 1.540 3.078 1.00 . A A . 75 ALA CB 1 1 14 7857 1 1 31 ALA H H -12.364 -0.172 4.367 1.00 . A A . 75 ALA H 1 1 14 7858 1 1 31 ALA HA H -14.857 -0.229 2.797 1.00 . A A . 75 ALA HA 1 1 14 7859 1 1 31 ALA HB1 H -12.716 1.721 3.557 1.00 . A A . 75 ALA HB1 1 1 14 7860 1 1 31 ALA HB2 H -13.713 2.092 2.151 1.00 . A A . 75 ALA HB2 1 1 14 7861 1 1 31 ALA HB3 H -14.466 1.862 3.729 1.00 . A A . 75 ALA HB3 1 1 14 7862 1 1 31 ALA N N -13.086 -0.636 3.897 1.00 . A A . 75 ALA N 1 1 14 7863 1 1 31 ALA O O -13.854 -0.397 0.433 1.00 . A A . 75 ALA O 1 1 14 7864 1 1 32 PHE C C -10.602 -2.232 0.203 1.00 . A A . 76 PHE C 1 1 14 7865 1 1 32 PHE CA C -11.220 -0.834 0.120 1.00 . A A . 76 PHE CA 1 1 14 7866 1 1 32 PHE CB C -10.128 0.225 -0.065 1.00 . A A . 76 PHE CB 1 1 14 7867 1 1 32 PHE CD1 C -10.794 1.942 1.657 1.00 . A A . 76 PHE CD1 1 1 14 7868 1 1 32 PHE CD2 C -11.035 2.493 -0.692 1.00 . A A . 76 PHE CD2 1 1 14 7869 1 1 32 PHE CE1 C -11.292 3.203 2.004 1.00 . A A . 76 PHE CE1 1 1 14 7870 1 1 32 PHE CE2 C -11.532 3.754 -0.345 1.00 . A A . 76 PHE CE2 1 1 14 7871 1 1 32 PHE CG C -10.665 1.587 0.309 1.00 . A A . 76 PHE CG 1 1 14 7872 1 1 32 PHE CZ C -11.660 4.109 1.003 1.00 . A A . 76 PHE CZ 1 1 14 7873 1 1 32 PHE H H -11.363 -0.411 2.226 1.00 . A A . 76 PHE H 1 1 14 7874 1 1 32 PHE HA H -11.925 -0.782 -0.691 1.00 . A A . 76 PHE HA 1 1 14 7875 1 1 32 PHE HB2 H -9.283 -0.013 0.567 1.00 . A A . 76 PHE HB2 1 1 14 7876 1 1 32 PHE HB3 H -9.812 0.237 -1.099 1.00 . A A . 76 PHE HB3 1 1 14 7877 1 1 32 PHE HD1 H -10.509 1.242 2.429 1.00 . A A . 76 PHE HD1 1 1 14 7878 1 1 32 PHE HD2 H -10.934 2.219 -1.732 1.00 . A A . 76 PHE HD2 1 1 14 7879 1 1 32 PHE HE1 H -11.391 3.476 3.044 1.00 . A A . 76 PHE HE1 1 1 14 7880 1 1 32 PHE HE2 H -11.817 4.453 -1.117 1.00 . A A . 76 PHE HE2 1 1 14 7881 1 1 32 PHE HZ H -12.044 5.083 1.272 1.00 . A A . 76 PHE HZ 1 1 14 7882 1 1 32 PHE N N -11.890 -0.493 1.408 1.00 . A A . 76 PHE N 1 1 14 7883 1 1 32 PHE O O -10.665 -2.889 1.224 1.00 . A A . 76 PHE O 1 1 14 7884 1 1 33 GLU C C -8.569 -4.281 -2.111 1.00 . A A . 77 GLU C 1 1 14 7885 1 1 33 GLU CA C -9.387 -4.049 -0.838 1.00 . A A . 77 GLU CA 1 1 14 7886 1 1 33 GLU CB C -10.564 -5.022 -0.772 1.00 . A A . 77 GLU CB 1 1 14 7887 1 1 33 GLU CD C -10.016 -6.861 0.827 1.00 . A A . 77 GLU CD 1 1 14 7888 1 1 33 GLU CG C -10.039 -6.453 -0.647 1.00 . A A . 77 GLU CG 1 1 14 7889 1 1 33 GLU H H -9.965 -2.149 -1.677 1.00 . A A . 77 GLU H 1 1 14 7890 1 1 33 GLU HA H -8.765 -4.163 0.035 1.00 . A A . 77 GLU HA 1 1 14 7891 1 1 33 GLU HB2 H -11.177 -4.786 0.086 1.00 . A A . 77 GLU HB2 1 1 14 7892 1 1 33 GLU HB3 H -11.155 -4.934 -1.671 1.00 . A A . 77 GLU HB3 1 1 14 7893 1 1 33 GLU HG2 H -10.685 -7.121 -1.198 1.00 . A A . 77 GLU HG2 1 1 14 7894 1 1 33 GLU HG3 H -9.038 -6.505 -1.049 1.00 . A A . 77 GLU HG3 1 1 14 7895 1 1 33 GLU N N -10.006 -2.692 -0.862 1.00 . A A . 77 GLU N 1 1 14 7896 1 1 33 GLU O O -9.071 -4.775 -3.102 1.00 . A A . 77 GLU O 1 1 14 7897 1 1 33 GLU OE1 O -9.416 -6.145 1.611 1.00 . A A . 77 GLU OE1 1 1 14 7898 1 1 33 GLU OE2 O -10.598 -7.885 1.147 1.00 . A A . 77 GLU OE2 1 1 14 7899 1 1 34 GLY C C -5.000 -3.871 -2.942 1.00 . A A . 78 GLY C 1 1 14 7900 1 1 34 GLY CA C -6.465 -4.128 -3.300 1.00 . A A . 78 GLY CA 1 1 14 7901 1 1 34 GLY H H -6.928 -3.530 -1.283 1.00 . A A . 78 GLY H 1 1 14 7902 1 1 34 GLY HA2 H -6.577 -5.142 -3.655 1.00 . A A . 78 GLY HA2 1 1 14 7903 1 1 34 GLY HA3 H -6.768 -3.438 -4.073 1.00 . A A . 78 GLY HA3 1 1 14 7904 1 1 34 GLY N N -7.313 -3.927 -2.092 1.00 . A A . 78 GLY N 1 1 14 7905 1 1 34 GLY O O -4.688 -3.397 -1.867 1.00 . A A . 78 GLY O 1 1 14 7906 1 1 35 ARG C C -2.404 -2.484 -3.185 1.00 . A A . 79 ARG C 1 1 14 7907 1 1 35 ARG CA C -2.653 -3.950 -3.546 1.00 . A A . 79 ARG CA 1 1 14 7908 1 1 35 ARG CB C -1.928 -4.314 -4.843 1.00 . A A . 79 ARG CB 1 1 14 7909 1 1 35 ARG CD C -1.332 -6.186 -6.388 1.00 . A A . 79 ARG CD 1 1 14 7910 1 1 35 ARG CG C -2.125 -5.803 -5.137 1.00 . A A . 79 ARG CG 1 1 14 7911 1 1 35 ARG CZ C 0.983 -5.771 -6.966 1.00 . A A . 79 ARG CZ 1 1 14 7912 1 1 35 ARG H H -4.373 -4.557 -4.697 1.00 . A A . 79 ARG H 1 1 14 7913 1 1 35 ARG HA H -2.324 -4.595 -2.748 1.00 . A A . 79 ARG HA 1 1 14 7914 1 1 35 ARG HB2 H -2.332 -3.729 -5.656 1.00 . A A . 79 ARG HB2 1 1 14 7915 1 1 35 ARG HB3 H -0.874 -4.107 -4.736 1.00 . A A . 79 ARG HB3 1 1 14 7916 1 1 35 ARG HD2 H -1.493 -7.228 -6.630 1.00 . A A . 79 ARG HD2 1 1 14 7917 1 1 35 ARG HD3 H -1.613 -5.558 -7.219 1.00 . A A . 79 ARG HD3 1 1 14 7918 1 1 35 ARG HE H 0.363 -5.923 -5.085 1.00 . A A . 79 ARG HE 1 1 14 7919 1 1 35 ARG HG2 H -1.775 -6.385 -4.296 1.00 . A A . 79 ARG HG2 1 1 14 7920 1 1 35 ARG HG3 H -3.173 -6.003 -5.302 1.00 . A A . 79 ARG HG3 1 1 14 7921 1 1 35 ARG HH11 H -0.059 -4.337 -7.897 1.00 . A A . 79 ARG HH11 1 1 14 7922 1 1 35 ARG HH12 H 1.461 -4.748 -8.619 1.00 . A A . 79 ARG HH12 1 1 14 7923 1 1 35 ARG HH21 H 2.232 -7.164 -6.255 1.00 . A A . 79 ARG HH21 1 1 14 7924 1 1 35 ARG HH22 H 2.758 -6.348 -7.688 1.00 . A A . 79 ARG HH22 1 1 14 7925 1 1 35 ARG N N -4.099 -4.178 -3.835 1.00 . A A . 79 ARG N 1 1 14 7926 1 1 35 ARG NE N 0.093 -5.948 -6.027 1.00 . A A . 79 ARG NE 1 1 14 7927 1 1 35 ARG NH1 N 0.779 -4.883 -7.900 1.00 . A A . 79 ARG NH1 1 1 14 7928 1 1 35 ARG NH2 N 2.077 -6.483 -6.970 1.00 . A A . 79 ARG NH2 1 1 14 7929 1 1 35 ARG O O -1.371 -2.132 -2.656 1.00 . A A . 79 ARG O 1 1 14 7930 1 1 36 ASN C C -4.529 0.480 -2.953 1.00 . A A . 80 ASN C 1 1 14 7931 1 1 36 ASN CA C -3.162 -0.181 -3.142 1.00 . A A . 80 ASN CA 1 1 14 7932 1 1 36 ASN CB C -2.449 0.410 -4.357 1.00 . A A . 80 ASN CB 1 1 14 7933 1 1 36 ASN CG C -0.948 0.144 -4.246 1.00 . A A . 80 ASN CG 1 1 14 7934 1 1 36 ASN H H -4.170 -1.927 -3.899 1.00 . A A . 80 ASN H 1 1 14 7935 1 1 36 ASN HA H -2.551 -0.063 -2.257 1.00 . A A . 80 ASN HA 1 1 14 7936 1 1 36 ASN HB2 H -2.834 -0.049 -5.258 1.00 . A A . 80 ASN HB2 1 1 14 7937 1 1 36 ASN HB3 H -2.623 1.475 -4.394 1.00 . A A . 80 ASN HB3 1 1 14 7938 1 1 36 ASN HD21 H -0.853 -0.840 -5.970 1.00 . A A . 80 ASN HD21 1 1 14 7939 1 1 36 ASN HD22 H 0.624 -0.693 -5.129 1.00 . A A . 80 ASN HD22 1 1 14 7940 1 1 36 ASN N N -3.343 -1.624 -3.469 1.00 . A A . 80 ASN N 1 1 14 7941 1 1 36 ASN ND2 N -0.342 -0.518 -5.194 1.00 . A A . 80 ASN ND2 1 1 14 7942 1 1 36 ASN O O -4.703 1.654 -3.215 1.00 . A A . 80 ASN O 1 1 14 7943 1 1 36 ASN OD1 O -0.319 0.543 -3.287 1.00 . A A . 80 ASN OD1 1 1 14 7944 1 1 37 CYS C C -7.457 0.702 -3.678 1.00 . A A . 81 CYS C 1 1 14 7945 1 1 37 CYS CA C -6.868 0.306 -2.322 1.00 . A A . 81 CYS CA 1 1 14 7946 1 1 37 CYS CB C -6.680 1.546 -1.443 1.00 . A A . 81 CYS CB 1 1 14 7947 1 1 37 CYS H H -5.340 -1.219 -2.322 1.00 . A A . 81 CYS H 1 1 14 7948 1 1 37 CYS HA H -7.509 -0.404 -1.826 1.00 . A A . 81 CYS HA 1 1 14 7949 1 1 37 CYS HB2 H -6.283 2.354 -2.039 1.00 . A A . 81 CYS HB2 1 1 14 7950 1 1 37 CYS HB3 H -7.634 1.838 -1.030 1.00 . A A . 81 CYS HB3 1 1 14 7951 1 1 37 CYS N N -5.503 -0.270 -2.515 1.00 . A A . 81 CYS N 1 1 14 7952 1 1 37 CYS O O -8.492 1.334 -3.756 1.00 . A A . 81 CYS O 1 1 14 7953 1 1 37 CYS SG S -5.533 1.175 -0.094 1.00 . A A . 81 CYS SG 1 1 14 7954 1 1 38 GLU C C -8.654 -0.034 -6.348 1.00 . A A . 82 GLU C 1 1 14 7955 1 1 38 GLU CA C -7.323 0.685 -6.097 1.00 . A A . 82 GLU CA 1 1 14 7956 1 1 38 GLU CB C -6.233 0.208 -7.067 1.00 . A A . 82 GLU CB 1 1 14 7957 1 1 38 GLU CD C -5.767 -0.693 -9.353 1.00 . A A . 82 GLU CD 1 1 14 7958 1 1 38 GLU CG C -6.845 -0.115 -8.433 1.00 . A A . 82 GLU CG 1 1 14 7959 1 1 38 GLU H H -5.973 -0.177 -4.661 1.00 . A A . 82 GLU H 1 1 14 7960 1 1 38 GLU HA H -7.451 1.753 -6.184 1.00 . A A . 82 GLU HA 1 1 14 7961 1 1 38 GLU HB2 H -5.494 0.989 -7.183 1.00 . A A . 82 GLU HB2 1 1 14 7962 1 1 38 GLU HB3 H -5.759 -0.679 -6.667 1.00 . A A . 82 GLU HB3 1 1 14 7963 1 1 38 GLU HG2 H -7.639 -0.837 -8.309 1.00 . A A . 82 GLU HG2 1 1 14 7964 1 1 38 GLU HG3 H -7.244 0.787 -8.872 1.00 . A A . 82 GLU HG3 1 1 14 7965 1 1 38 GLU N N -6.805 0.333 -4.746 1.00 . A A . 82 GLU N 1 1 14 7966 1 1 38 GLU O O -9.344 0.235 -7.312 1.00 . A A . 82 GLU O 1 1 14 7967 1 1 38 GLU OE1 O -5.234 -1.740 -9.023 1.00 . A A . 82 GLU OE1 1 1 14 7968 1 1 38 GLU OE2 O -5.493 -0.078 -10.370 1.00 . A A . 82 GLU OE2 1 1 14 7969 1 1 39 THR C C -11.342 -1.181 -4.659 1.00 . A A . 83 THR C 1 1 14 7970 1 1 39 THR CA C -10.306 -1.673 -5.675 1.00 . A A . 83 THR CA 1 1 14 7971 1 1 39 THR CB C -9.970 -3.143 -5.429 1.00 . A A . 83 THR CB 1 1 14 7972 1 1 39 THR CG2 C -11.262 -3.957 -5.360 1.00 . A A . 83 THR CG2 1 1 14 7973 1 1 39 THR H H -8.451 -1.145 -4.714 1.00 . A A . 83 THR H 1 1 14 7974 1 1 39 THR HA H -10.672 -1.540 -6.680 1.00 . A A . 83 THR HA 1 1 14 7975 1 1 39 THR HB H -9.438 -3.241 -4.496 1.00 . A A . 83 THR HB 1 1 14 7976 1 1 39 THR HG1 H -9.291 -4.574 -6.557 1.00 . A A . 83 THR HG1 1 1 14 7977 1 1 39 THR HG21 H -12.110 -3.297 -5.474 1.00 . A A . 83 THR HG21 1 1 14 7978 1 1 39 THR HG22 H -11.269 -4.692 -6.152 1.00 . A A . 83 THR HG22 1 1 14 7979 1 1 39 THR HG23 H -11.322 -4.458 -4.404 1.00 . A A . 83 THR HG23 1 1 14 7980 1 1 39 THR N N -9.020 -0.943 -5.487 1.00 . A A . 83 THR N 1 1 14 7981 1 1 39 THR O O -11.873 -1.945 -3.878 1.00 . A A . 83 THR O 1 1 14 7982 1 1 39 THR OG1 O -9.159 -3.626 -6.491 1.00 . A A . 83 THR OG1 1 1 14 7983 1 1 40 HIS C C -13.905 -0.208 -3.728 1.00 . A A . 84 HIS C 1 1 14 7984 1 1 40 HIS CA C -12.628 0.636 -3.699 1.00 . A A . 84 HIS CA 1 1 14 7985 1 1 40 HIS CB C -12.912 2.058 -4.183 1.00 . A A . 84 HIS CB 1 1 14 7986 1 1 40 HIS CD2 C -14.754 2.248 -2.318 1.00 . A A . 84 HIS CD2 1 1 14 7987 1 1 40 HIS CE1 C -15.942 3.827 -3.208 1.00 . A A . 84 HIS CE1 1 1 14 7988 1 1 40 HIS CG C -14.147 2.583 -3.503 1.00 . A A . 84 HIS CG 1 1 14 7989 1 1 40 HIS H H -11.188 0.691 -5.302 1.00 . A A . 84 HIS H 1 1 14 7990 1 1 40 HIS HA H -12.215 0.661 -2.703 1.00 . A A . 84 HIS HA 1 1 14 7991 1 1 40 HIS HB2 H -12.073 2.694 -3.946 1.00 . A A . 84 HIS HB2 1 1 14 7992 1 1 40 HIS HB3 H -13.067 2.050 -5.252 1.00 . A A . 84 HIS HB3 1 1 14 7993 1 1 40 HIS HD1 H -14.757 4.050 -4.904 1.00 . A A . 84 HIS HD1 1 1 14 7994 1 1 40 HIS HD2 H -14.406 1.490 -1.633 1.00 . A A . 84 HIS HD2 1 1 14 7995 1 1 40 HIS HE1 H -16.711 4.566 -3.377 1.00 . A A . 84 HIS HE1 1 1 14 7996 1 1 40 HIS N N -11.629 0.093 -4.664 1.00 . A A . 84 HIS N 1 1 14 7997 1 1 40 HIS ND1 N -14.922 3.592 -4.053 1.00 . A A . 84 HIS ND1 1 1 14 7998 1 1 40 HIS NE2 N -15.887 3.035 -2.133 1.00 . A A . 84 HIS NE2 1 1 14 7999 1 1 40 HIS O O -14.548 -0.343 -4.750 1.00 . A A . 84 HIS O 1 1 14 8000 1 1 41 LYS C C -16.748 -0.737 -2.818 1.00 . A A . 85 LYS C 1 1 14 8001 1 1 41 LYS CA C -15.513 -1.611 -2.581 1.00 . A A . 85 LYS CA 1 1 14 8002 1 1 41 LYS CB C -15.545 -2.214 -1.176 1.00 . A A . 85 LYS CB 1 1 14 8003 1 1 41 LYS CD C -13.882 -3.160 0.433 1.00 . A A . 85 LYS CD 1 1 14 8004 1 1 41 LYS CE C -14.050 -4.544 1.066 1.00 . A A . 85 LYS CE 1 1 14 8005 1 1 41 LYS CG C -14.381 -3.194 -1.015 1.00 . A A . 85 LYS CG 1 1 14 8006 1 1 41 LYS H H -13.745 -0.655 -1.799 1.00 . A A . 85 LYS H 1 1 14 8007 1 1 41 LYS HA H -15.457 -2.396 -3.318 1.00 . A A . 85 LYS HA 1 1 14 8008 1 1 41 LYS HB2 H -15.458 -1.425 -0.443 1.00 . A A . 85 LYS HB2 1 1 14 8009 1 1 41 LYS HB3 H -16.478 -2.740 -1.032 1.00 . A A . 85 LYS HB3 1 1 14 8010 1 1 41 LYS HD2 H -12.840 -2.881 0.445 1.00 . A A . 85 LYS HD2 1 1 14 8011 1 1 41 LYS HD3 H -14.456 -2.438 0.994 1.00 . A A . 85 LYS HD3 1 1 14 8012 1 1 41 LYS HE2 H -13.471 -4.611 1.976 1.00 . A A . 85 LYS HE2 1 1 14 8013 1 1 41 LYS HE3 H -15.092 -4.743 1.264 1.00 . A A . 85 LYS HE3 1 1 14 8014 1 1 41 LYS HG2 H -14.716 -4.192 -1.258 1.00 . A A . 85 LYS HG2 1 1 14 8015 1 1 41 LYS HG3 H -13.578 -2.910 -1.677 1.00 . A A . 85 LYS HG3 1 1 14 8016 1 1 41 LYS HZ1 H -12.901 -5.003 -0.611 1.00 . A A . 85 LYS HZ1 1 1 14 8017 1 1 41 LYS HZ2 H -13.006 -6.262 0.525 1.00 . A A . 85 LYS HZ2 1 1 14 8018 1 1 41 LYS HZ3 H -14.329 -5.909 -0.481 1.00 . A A . 85 LYS HZ3 1 1 14 8019 1 1 41 LYS N N -14.277 -0.777 -2.614 1.00 . A A . 85 LYS N 1 1 14 8020 1 1 41 LYS NZ N -13.533 -5.502 0.048 1.00 . A A . 85 LYS NZ 1 1 14 8021 1 1 41 LYS O O -16.649 0.461 -2.611 1.00 . A A . 85 LYS O 1 1 14 8022 1 1 41 LYS OXT O -17.769 -1.282 -3.203 1.00 . A A . 85 LYS OXT 1 1 15 8023 1 1 1 SER C C 13.888 9.466 -2.910 1.00 . A A . 45 SER C 1 1 15 8024 1 1 1 SER CA C 14.452 10.888 -2.882 1.00 . A A . 45 SER CA 1 1 15 8025 1 1 1 SER CB C 13.400 11.874 -2.375 1.00 . A A . 45 SER CB 1 1 15 8026 1 1 1 SER H1 H 13.995 11.076 -4.906 1.00 . A A . 45 SER H1 1 1 15 8027 1 1 1 SER H2 H 14.885 12.377 -4.276 1.00 . A A . 45 SER H2 1 1 15 8028 1 1 1 SER H3 H 15.653 10.893 -4.584 1.00 . A A . 45 SER H3 1 1 15 8029 1 1 1 SER HA H 15.331 10.934 -2.259 1.00 . A A . 45 SER HA 1 1 15 8030 1 1 1 SER HB2 H 13.884 12.685 -1.858 1.00 . A A . 45 SER HB2 1 1 15 8031 1 1 1 SER HB3 H 12.842 12.267 -3.214 1.00 . A A . 45 SER HB3 1 1 15 8032 1 1 1 SER HG H 13.034 10.544 -1.003 1.00 . A A . 45 SER HG 1 1 15 8033 1 1 1 SER N N 14.770 11.343 -4.266 1.00 . A A . 45 SER N 1 1 15 8034 1 1 1 SER O O 14.599 8.501 -2.713 1.00 . A A . 45 SER O 1 1 15 8035 1 1 1 SER OG O 12.524 11.205 -1.477 1.00 . A A . 45 SER OG 1 1 15 8036 1 1 2 ASP C C 12.887 7.017 -4.005 1.00 . A A . 46 ASP C 1 1 15 8037 1 1 2 ASP CA C 12.004 7.967 -3.191 1.00 . A A . 46 ASP CA 1 1 15 8038 1 1 2 ASP CB C 10.650 8.158 -3.874 1.00 . A A . 46 ASP CB 1 1 15 8039 1 1 2 ASP CG C 10.858 8.750 -5.270 1.00 . A A . 46 ASP CG 1 1 15 8040 1 1 2 ASP H H 12.055 10.119 -3.307 1.00 . A A . 46 ASP H 1 1 15 8041 1 1 2 ASP HA H 11.863 7.587 -2.192 1.00 . A A . 46 ASP HA 1 1 15 8042 1 1 2 ASP HB2 H 10.151 7.202 -3.958 1.00 . A A . 46 ASP HB2 1 1 15 8043 1 1 2 ASP HB3 H 10.042 8.831 -3.287 1.00 . A A . 46 ASP HB3 1 1 15 8044 1 1 2 ASP N N 12.612 9.327 -3.152 1.00 . A A . 46 ASP N 1 1 15 8045 1 1 2 ASP O O 13.835 7.429 -4.643 1.00 . A A . 46 ASP O 1 1 15 8046 1 1 2 ASP OD1 O 11.955 9.213 -5.536 1.00 . A A . 46 ASP OD1 1 1 15 8047 1 1 2 ASP OD2 O 9.918 8.729 -6.047 1.00 . A A . 46 ASP OD2 1 1 15 8048 1 1 3 GLY C C 13.207 3.367 -4.199 1.00 . A A . 47 GLY C 1 1 15 8049 1 1 3 GLY CA C 13.408 4.776 -4.761 1.00 . A A . 47 GLY CA 1 1 15 8050 1 1 3 GLY H H 11.815 5.434 -3.467 1.00 . A A . 47 GLY H 1 1 15 8051 1 1 3 GLY HA2 H 13.108 4.797 -5.799 1.00 . A A . 47 GLY HA2 1 1 15 8052 1 1 3 GLY HA3 H 14.451 5.045 -4.681 1.00 . A A . 47 GLY HA3 1 1 15 8053 1 1 3 GLY N N 12.584 5.748 -3.988 1.00 . A A . 47 GLY N 1 1 15 8054 1 1 3 GLY O O 13.446 2.382 -4.871 1.00 . A A . 47 GLY O 1 1 15 8055 1 1 4 ASP C C 11.134 1.417 -2.687 1.00 . A A . 48 ASP C 1 1 15 8056 1 1 4 ASP CA C 12.555 1.912 -2.376 1.00 . A A . 48 ASP CA 1 1 15 8057 1 1 4 ASP CB C 12.758 2.114 -0.874 1.00 . A A . 48 ASP CB 1 1 15 8058 1 1 4 ASP CG C 14.102 2.800 -0.627 1.00 . A A . 48 ASP CG 1 1 15 8059 1 1 4 ASP H H 12.581 4.064 -2.448 1.00 . A A . 48 ASP H 1 1 15 8060 1 1 4 ASP HA H 13.285 1.214 -2.755 1.00 . A A . 48 ASP HA 1 1 15 8061 1 1 4 ASP HB2 H 11.961 2.730 -0.482 1.00 . A A . 48 ASP HB2 1 1 15 8062 1 1 4 ASP HB3 H 12.749 1.155 -0.376 1.00 . A A . 48 ASP HB3 1 1 15 8063 1 1 4 ASP N N 12.769 3.260 -2.974 1.00 . A A . 48 ASP N 1 1 15 8064 1 1 4 ASP O O 10.796 1.169 -3.828 1.00 . A A . 48 ASP O 1 1 15 8065 1 1 4 ASP OD1 O 14.189 3.994 -0.864 1.00 . A A . 48 ASP OD1 1 1 15 8066 1 1 4 ASP OD2 O 15.025 2.120 -0.207 1.00 . A A . 48 ASP OD2 1 1 15 8067 1 1 5 GLN C C 7.898 1.658 -1.204 1.00 . A A . 49 GLN C 1 1 15 8068 1 1 5 GLN CA C 8.909 0.793 -1.959 1.00 . A A . 49 GLN CA 1 1 15 8069 1 1 5 GLN CB C 8.867 -0.645 -1.446 1.00 . A A . 49 GLN CB 1 1 15 8070 1 1 5 GLN CD C 10.326 -2.632 -1.041 1.00 . A A . 49 GLN CD 1 1 15 8071 1 1 5 GLN CG C 10.095 -1.417 -1.940 1.00 . A A . 49 GLN CG 1 1 15 8072 1 1 5 GLN H H 10.574 1.472 -0.776 1.00 . A A . 49 GLN H 1 1 15 8073 1 1 5 GLN HA H 8.702 0.807 -3.013 1.00 . A A . 49 GLN HA 1 1 15 8074 1 1 5 GLN HB2 H 8.855 -0.637 -0.370 1.00 . A A . 49 GLN HB2 1 1 15 8075 1 1 5 GLN HB3 H 7.974 -1.128 -1.810 1.00 . A A . 49 GLN HB3 1 1 15 8076 1 1 5 GLN HE21 H 10.833 -1.539 0.539 1.00 . A A . 49 GLN HE21 1 1 15 8077 1 1 5 GLN HE22 H 10.852 -3.228 0.780 1.00 . A A . 49 GLN HE22 1 1 15 8078 1 1 5 GLN HG2 H 9.928 -1.745 -2.956 1.00 . A A . 49 GLN HG2 1 1 15 8079 1 1 5 GLN HG3 H 10.964 -0.779 -1.906 1.00 . A A . 49 GLN HG3 1 1 15 8080 1 1 5 GLN N N 10.296 1.270 -1.693 1.00 . A A . 49 GLN N 1 1 15 8081 1 1 5 GLN NE2 N 10.701 -2.452 0.195 1.00 . A A . 49 GLN NE2 1 1 15 8082 1 1 5 GLN O O 7.062 2.313 -1.795 1.00 . A A . 49 GLN O 1 1 15 8083 1 1 5 GLN OE1 O 10.163 -3.759 -1.468 1.00 . A A . 49 GLN OE1 1 1 15 8084 1 1 6 CYS C C 7.587 3.883 1.141 1.00 . A A . 50 CYS C 1 1 15 8085 1 1 6 CYS CA C 7.008 2.488 0.893 1.00 . A A . 50 CYS CA 1 1 15 8086 1 1 6 CYS CB C 6.839 1.735 2.214 1.00 . A A . 50 CYS CB 1 1 15 8087 1 1 6 CYS H H 8.646 1.128 0.558 1.00 . A A . 50 CYS H 1 1 15 8088 1 1 6 CYS HA H 6.060 2.557 0.384 1.00 . A A . 50 CYS HA 1 1 15 8089 1 1 6 CYS HB2 H 7.759 1.227 2.458 1.00 . A A . 50 CYS HB2 1 1 15 8090 1 1 6 CYS HB3 H 6.595 2.436 2.998 1.00 . A A . 50 CYS HB3 1 1 15 8091 1 1 6 CYS N N 7.965 1.665 0.100 1.00 . A A . 50 CYS N 1 1 15 8092 1 1 6 CYS O O 7.281 4.526 2.126 1.00 . A A . 50 CYS O 1 1 15 8093 1 1 6 CYS SG S 5.504 0.522 2.052 1.00 . A A . 50 CYS SG 1 1 15 8094 1 1 7 ALA C C 8.277 6.740 -0.415 1.00 . A A . 51 ALA C 1 1 15 8095 1 1 7 ALA CA C 9.017 5.710 0.444 1.00 . A A . 51 ALA CA 1 1 15 8096 1 1 7 ALA CB C 10.468 5.569 -0.019 1.00 . A A . 51 ALA CB 1 1 15 8097 1 1 7 ALA H H 8.655 3.822 -0.531 1.00 . A A . 51 ALA H 1 1 15 8098 1 1 7 ALA HA H 8.989 5.994 1.483 1.00 . A A . 51 ALA HA 1 1 15 8099 1 1 7 ALA HB1 H 10.781 4.540 0.085 1.00 . A A . 51 ALA HB1 1 1 15 8100 1 1 7 ALA HB2 H 10.546 5.865 -1.055 1.00 . A A . 51 ALA HB2 1 1 15 8101 1 1 7 ALA HB3 H 11.102 6.201 0.586 1.00 . A A . 51 ALA HB3 1 1 15 8102 1 1 7 ALA N N 8.420 4.356 0.256 1.00 . A A . 51 ALA N 1 1 15 8103 1 1 7 ALA O O 8.847 7.719 -0.853 1.00 . A A . 51 ALA O 1 1 15 8104 1 1 8 SER C C 4.738 7.270 -1.315 1.00 . A A . 52 SER C 1 1 15 8105 1 1 8 SER CA C 6.242 7.497 -1.490 1.00 . A A . 52 SER CA 1 1 15 8106 1 1 8 SER CB C 6.663 7.208 -2.930 1.00 . A A . 52 SER CB 1 1 15 8107 1 1 8 SER H H 6.571 5.732 -0.297 1.00 . A A . 52 SER H 1 1 15 8108 1 1 8 SER HA H 6.503 8.510 -1.226 1.00 . A A . 52 SER HA 1 1 15 8109 1 1 8 SER HB2 H 6.134 6.344 -3.295 1.00 . A A . 52 SER HB2 1 1 15 8110 1 1 8 SER HB3 H 6.426 8.062 -3.551 1.00 . A A . 52 SER HB3 1 1 15 8111 1 1 8 SER HG H 8.518 7.796 -2.932 1.00 . A A . 52 SER HG 1 1 15 8112 1 1 8 SER N N 7.013 6.527 -0.659 1.00 . A A . 52 SER N 1 1 15 8113 1 1 8 SER O O 3.953 7.548 -2.200 1.00 . A A . 52 SER O 1 1 15 8114 1 1 8 SER OG O 8.061 6.952 -2.968 1.00 . A A . 52 SER OG 1 1 15 8115 1 1 9 SER C C 2.241 5.908 -1.206 1.00 . A A . 53 SER C 1 1 15 8116 1 1 9 SER CA C 2.876 6.522 0.046 1.00 . A A . 53 SER CA 1 1 15 8117 1 1 9 SER CB C 2.282 7.902 0.326 1.00 . A A . 53 SER CB 1 1 15 8118 1 1 9 SER H H 4.979 6.549 0.520 1.00 . A A . 53 SER H 1 1 15 8119 1 1 9 SER HA H 2.730 5.878 0.898 1.00 . A A . 53 SER HA 1 1 15 8120 1 1 9 SER HB2 H 2.330 8.504 -0.566 1.00 . A A . 53 SER HB2 1 1 15 8121 1 1 9 SER HB3 H 1.249 7.793 0.629 1.00 . A A . 53 SER HB3 1 1 15 8122 1 1 9 SER HG H 3.229 9.428 1.074 1.00 . A A . 53 SER HG 1 1 15 8123 1 1 9 SER N N 4.330 6.766 -0.181 1.00 . A A . 53 SER N 1 1 15 8124 1 1 9 SER O O 1.392 6.510 -1.832 1.00 . A A . 53 SER O 1 1 15 8125 1 1 9 SER OG O 3.030 8.534 1.357 1.00 . A A . 53 SER OG 1 1 15 8126 1 1 10 PRO C C 0.766 3.450 -2.433 1.00 . A A . 54 PRO C 1 1 15 8127 1 1 10 PRO CA C 2.161 4.010 -2.718 1.00 . A A . 54 PRO CA 1 1 15 8128 1 1 10 PRO CB C 3.163 2.878 -2.924 1.00 . A A . 54 PRO CB 1 1 15 8129 1 1 10 PRO CD C 3.707 3.948 -0.820 1.00 . A A . 54 PRO CD 1 1 15 8130 1 1 10 PRO CG C 3.781 2.648 -1.581 1.00 . A A . 54 PRO CG 1 1 15 8131 1 1 10 PRO HA H 2.148 4.657 -3.579 1.00 . A A . 54 PRO HA 1 1 15 8132 1 1 10 PRO HB2 H 2.653 1.985 -3.263 1.00 . A A . 54 PRO HB2 1 1 15 8133 1 1 10 PRO HB3 H 3.922 3.171 -3.633 1.00 . A A . 54 PRO HB3 1 1 15 8134 1 1 10 PRO HD2 H 3.408 3.768 0.206 1.00 . A A . 54 PRO HD2 1 1 15 8135 1 1 10 PRO HD3 H 4.654 4.462 -0.855 1.00 . A A . 54 PRO HD3 1 1 15 8136 1 1 10 PRO HG2 H 3.233 1.880 -1.053 1.00 . A A . 54 PRO HG2 1 1 15 8137 1 1 10 PRO HG3 H 4.812 2.353 -1.694 1.00 . A A . 54 PRO HG3 1 1 15 8138 1 1 10 PRO N N 2.684 4.723 -1.527 1.00 . A A . 54 PRO N 1 1 15 8139 1 1 10 PRO O O 0.163 2.803 -3.266 1.00 . A A . 54 PRO O 1 1 15 8140 1 1 11 CYS C C -2.163 4.232 -1.172 1.00 . A A . 55 CYS C 1 1 15 8141 1 1 11 CYS CA C -1.102 3.158 -0.914 1.00 . A A . 55 CYS CA 1 1 15 8142 1 1 11 CYS CB C -1.044 2.813 0.580 1.00 . A A . 55 CYS CB 1 1 15 8143 1 1 11 CYS H H 0.758 4.203 -0.596 1.00 . A A . 55 CYS H 1 1 15 8144 1 1 11 CYS HA H -1.316 2.271 -1.489 1.00 . A A . 55 CYS HA 1 1 15 8145 1 1 11 CYS HB2 H -1.188 3.713 1.159 1.00 . A A . 55 CYS HB2 1 1 15 8146 1 1 11 CYS HB3 H -1.829 2.106 0.812 1.00 . A A . 55 CYS HB3 1 1 15 8147 1 1 11 CYS N N 0.252 3.685 -1.257 1.00 . A A . 55 CYS N 1 1 15 8148 1 1 11 CYS O O -1.862 5.405 -1.261 1.00 . A A . 55 CYS O 1 1 15 8149 1 1 11 CYS SG S 0.564 2.084 0.996 1.00 . A A . 55 CYS SG 1 1 15 8150 1 1 12 GLN C C -5.646 4.625 -0.583 1.00 . A A . 56 GLN C 1 1 15 8151 1 1 12 GLN CA C -4.476 4.838 -1.548 1.00 . A A . 56 GLN CA 1 1 15 8152 1 1 12 GLN CB C -4.918 4.588 -2.988 1.00 . A A . 56 GLN CB 1 1 15 8153 1 1 12 GLN CD C -4.114 4.477 -5.351 1.00 . A A . 56 GLN CD 1 1 15 8154 1 1 12 GLN CG C -3.775 4.949 -3.936 1.00 . A A . 56 GLN CG 1 1 15 8155 1 1 12 GLN H H -3.625 2.891 -1.222 1.00 . A A . 56 GLN H 1 1 15 8156 1 1 12 GLN HA H -4.087 5.837 -1.451 1.00 . A A . 56 GLN HA 1 1 15 8157 1 1 12 GLN HB2 H -5.173 3.545 -3.111 1.00 . A A . 56 GLN HB2 1 1 15 8158 1 1 12 GLN HB3 H -5.778 5.200 -3.214 1.00 . A A . 56 GLN HB3 1 1 15 8159 1 1 12 GLN HE21 H -3.136 2.757 -5.160 1.00 . A A . 56 GLN HE21 1 1 15 8160 1 1 12 GLN HE22 H -3.891 3.006 -6.669 1.00 . A A . 56 GLN HE22 1 1 15 8161 1 1 12 GLN HG2 H -3.636 6.020 -3.936 1.00 . A A . 56 GLN HG2 1 1 15 8162 1 1 12 GLN HG3 H -2.868 4.467 -3.605 1.00 . A A . 56 GLN HG3 1 1 15 8163 1 1 12 GLN N N -3.402 3.839 -1.294 1.00 . A A . 56 GLN N 1 1 15 8164 1 1 12 GLN NE2 N -3.677 3.318 -5.761 1.00 . A A . 56 GLN NE2 1 1 15 8165 1 1 12 GLN O O -5.695 3.654 0.146 1.00 . A A . 56 GLN O 1 1 15 8166 1 1 12 GLN OE1 O -4.783 5.171 -6.091 1.00 . A A . 56 GLN OE1 1 1 15 8167 1 1 13 ASN C C -7.295 5.269 1.788 1.00 . A A . 57 ASN C 1 1 15 8168 1 1 13 ASN CA C -7.760 5.385 0.334 1.00 . A A . 57 ASN CA 1 1 15 8169 1 1 13 ASN CB C -8.457 4.100 -0.111 1.00 . A A . 57 ASN CB 1 1 15 8170 1 1 13 ASN CG C -9.010 4.285 -1.525 1.00 . A A . 57 ASN CG 1 1 15 8171 1 1 13 ASN H H -6.525 6.301 -1.178 1.00 . A A . 57 ASN H 1 1 15 8172 1 1 13 ASN HA H -8.428 6.223 0.219 1.00 . A A . 57 ASN HA 1 1 15 8173 1 1 13 ASN HB2 H -7.749 3.285 -0.105 1.00 . A A . 57 ASN HB2 1 1 15 8174 1 1 13 ASN HB3 H -9.269 3.878 0.565 1.00 . A A . 57 ASN HB3 1 1 15 8175 1 1 13 ASN HD21 H -7.815 2.911 -2.321 1.00 . A A . 57 ASN HD21 1 1 15 8176 1 1 13 ASN HD22 H -8.879 3.677 -3.414 1.00 . A A . 57 ASN HD22 1 1 15 8177 1 1 13 ASN N N -6.588 5.528 -0.578 1.00 . A A . 57 ASN N 1 1 15 8178 1 1 13 ASN ND2 N -8.528 3.564 -2.501 1.00 . A A . 57 ASN ND2 1 1 15 8179 1 1 13 ASN O O -7.810 4.477 2.553 1.00 . A A . 57 ASN O 1 1 15 8180 1 1 13 ASN OD1 O -9.891 5.093 -1.746 1.00 . A A . 57 ASN OD1 1 1 15 8181 1 1 14 GLY C C -5.290 4.600 3.885 1.00 . A A . 58 GLY C 1 1 15 8182 1 1 14 GLY CA C -5.840 5.997 3.584 1.00 . A A . 58 GLY CA 1 1 15 8183 1 1 14 GLY H H -5.934 6.692 1.547 1.00 . A A . 58 GLY H 1 1 15 8184 1 1 14 GLY HA2 H -5.057 6.729 3.721 1.00 . A A . 58 GLY HA2 1 1 15 8185 1 1 14 GLY HA3 H -6.654 6.211 4.259 1.00 . A A . 58 GLY HA3 1 1 15 8186 1 1 14 GLY N N -6.332 6.056 2.178 1.00 . A A . 58 GLY N 1 1 15 8187 1 1 14 GLY O O -5.269 4.165 5.018 1.00 . A A . 58 GLY O 1 1 15 8188 1 1 15 GLY C C -2.852 2.652 3.630 1.00 . A A . 59 GLY C 1 1 15 8189 1 1 15 GLY CA C -4.290 2.532 3.121 1.00 . A A . 59 GLY CA 1 1 15 8190 1 1 15 GLY H H -4.862 4.265 1.975 1.00 . A A . 59 GLY H 1 1 15 8191 1 1 15 GLY HA2 H -4.895 2.024 3.862 1.00 . A A . 59 GLY HA2 1 1 15 8192 1 1 15 GLY HA3 H -4.298 1.970 2.198 1.00 . A A . 59 GLY HA3 1 1 15 8193 1 1 15 GLY N N -4.841 3.896 2.882 1.00 . A A . 59 GLY N 1 1 15 8194 1 1 15 GLY O O -2.118 3.537 3.239 1.00 . A A . 59 GLY O 1 1 15 8195 1 1 16 SER C C -0.065 1.238 4.035 1.00 . A A . 60 SER C 1 1 15 8196 1 1 16 SER CA C -1.052 1.843 5.038 1.00 . A A . 60 SER CA 1 1 15 8197 1 1 16 SER CB C -1.081 1.019 6.324 1.00 . A A . 60 SER CB 1 1 15 8198 1 1 16 SER H H -3.051 1.066 4.809 1.00 . A A . 60 SER H 1 1 15 8199 1 1 16 SER HA H -0.786 2.863 5.261 1.00 . A A . 60 SER HA 1 1 15 8200 1 1 16 SER HB2 H -1.114 -0.031 6.081 1.00 . A A . 60 SER HB2 1 1 15 8201 1 1 16 SER HB3 H -0.190 1.224 6.903 1.00 . A A . 60 SER HB3 1 1 15 8202 1 1 16 SER HG H -2.844 0.616 7.043 1.00 . A A . 60 SER HG 1 1 15 8203 1 1 16 SER N N -2.443 1.771 4.503 1.00 . A A . 60 SER N 1 1 15 8204 1 1 16 SER O O -0.452 0.606 3.073 1.00 . A A . 60 SER O 1 1 15 8205 1 1 16 SER OG O -2.239 1.361 7.075 1.00 . A A . 60 SER OG 1 1 15 8206 1 1 17 CYS C C 3.144 -0.111 4.049 1.00 . A A . 61 CYS C 1 1 15 8207 1 1 17 CYS CA C 2.219 0.863 3.314 1.00 . A A . 61 CYS CA 1 1 15 8208 1 1 17 CYS CB C 3.016 2.067 2.809 1.00 . A A . 61 CYS CB 1 1 15 8209 1 1 17 CYS H H 1.500 1.940 5.037 1.00 . A A . 61 CYS H 1 1 15 8210 1 1 17 CYS HA H 1.732 0.370 2.487 1.00 . A A . 61 CYS HA 1 1 15 8211 1 1 17 CYS HB2 H 2.340 2.874 2.564 1.00 . A A . 61 CYS HB2 1 1 15 8212 1 1 17 CYS HB3 H 3.700 2.394 3.577 1.00 . A A . 61 CYS HB3 1 1 15 8213 1 1 17 CYS N N 1.208 1.428 4.255 1.00 . A A . 61 CYS N 1 1 15 8214 1 1 17 CYS O O 3.856 0.265 4.959 1.00 . A A . 61 CYS O 1 1 15 8215 1 1 17 CYS SG S 3.948 1.592 1.334 1.00 . A A . 61 CYS SG 1 1 15 8216 1 1 18 LYS C C 5.354 -2.470 3.570 1.00 . A A . 62 LYS C 1 1 15 8217 1 1 18 LYS CA C 4.037 -2.343 4.336 1.00 . A A . 62 LYS CA 1 1 15 8218 1 1 18 LYS CB C 3.277 -3.667 4.307 1.00 . A A . 62 LYS CB 1 1 15 8219 1 1 18 LYS CD C 2.916 -5.163 6.275 1.00 . A A . 62 LYS CD 1 1 15 8220 1 1 18 LYS CE C 3.614 -6.040 7.318 1.00 . A A . 62 LYS CE 1 1 15 8221 1 1 18 LYS CG C 3.945 -4.658 5.262 1.00 . A A . 62 LYS CG 1 1 15 8222 1 1 18 LYS H H 2.570 -1.639 2.918 1.00 . A A . 62 LYS H 1 1 15 8223 1 1 18 LYS HA H 4.222 -2.045 5.356 1.00 . A A . 62 LYS HA 1 1 15 8224 1 1 18 LYS HB2 H 2.255 -3.502 4.613 1.00 . A A . 62 LYS HB2 1 1 15 8225 1 1 18 LYS HB3 H 3.295 -4.069 3.306 1.00 . A A . 62 LYS HB3 1 1 15 8226 1 1 18 LYS HD2 H 2.452 -4.319 6.766 1.00 . A A . 62 LYS HD2 1 1 15 8227 1 1 18 LYS HD3 H 2.163 -5.743 5.764 1.00 . A A . 62 LYS HD3 1 1 15 8228 1 1 18 LYS HE2 H 4.619 -5.684 7.495 1.00 . A A . 62 LYS HE2 1 1 15 8229 1 1 18 LYS HE3 H 3.050 -6.053 8.236 1.00 . A A . 62 LYS HE3 1 1 15 8230 1 1 18 LYS HG2 H 4.336 -5.492 4.698 1.00 . A A . 62 LYS HG2 1 1 15 8231 1 1 18 LYS HG3 H 4.752 -4.167 5.785 1.00 . A A . 62 LYS HG3 1 1 15 8232 1 1 18 LYS HZ1 H 4.112 -7.364 5.791 1.00 . A A . 62 LYS HZ1 1 1 15 8233 1 1 18 LYS HZ2 H 4.161 -8.048 7.345 1.00 . A A . 62 LYS HZ2 1 1 15 8234 1 1 18 LYS HZ3 H 2.667 -7.747 6.592 1.00 . A A . 62 LYS HZ3 1 1 15 8235 1 1 18 LYS N N 3.147 -1.356 3.658 1.00 . A A . 62 LYS N 1 1 15 8236 1 1 18 LYS NZ N 3.640 -7.402 6.716 1.00 . A A . 62 LYS NZ 1 1 15 8237 1 1 18 LYS O O 5.378 -2.480 2.354 1.00 . A A . 62 LYS O 1 1 15 8238 1 1 19 ASP C C 8.359 -4.080 3.820 1.00 . A A . 63 ASP C 1 1 15 8239 1 1 19 ASP CA C 7.765 -2.690 3.583 1.00 . A A . 63 ASP CA 1 1 15 8240 1 1 19 ASP CB C 8.645 -1.614 4.217 1.00 . A A . 63 ASP CB 1 1 15 8241 1 1 19 ASP CG C 8.723 -1.842 5.728 1.00 . A A . 63 ASP CG 1 1 15 8242 1 1 19 ASP H H 6.404 -2.557 5.250 1.00 . A A . 63 ASP H 1 1 15 8243 1 1 19 ASP HA H 7.657 -2.501 2.527 1.00 . A A . 63 ASP HA 1 1 15 8244 1 1 19 ASP HB2 H 9.638 -1.666 3.794 1.00 . A A . 63 ASP HB2 1 1 15 8245 1 1 19 ASP HB3 H 8.221 -0.641 4.024 1.00 . A A . 63 ASP HB3 1 1 15 8246 1 1 19 ASP N N 6.448 -2.566 4.271 1.00 . A A . 63 ASP N 1 1 15 8247 1 1 19 ASP O O 8.783 -4.408 4.910 1.00 . A A . 63 ASP O 1 1 15 8248 1 1 19 ASP OD1 O 7.818 -1.407 6.420 1.00 . A A . 63 ASP OD1 1 1 15 8249 1 1 19 ASP OD2 O 9.687 -2.448 6.167 1.00 . A A . 63 ASP OD2 1 1 15 8250 1 1 20 GLN C C 10.350 -6.341 2.296 1.00 . A A . 64 GLN C 1 1 15 8251 1 1 20 GLN CA C 8.978 -6.267 2.972 1.00 . A A . 64 GLN CA 1 1 15 8252 1 1 20 GLN CB C 7.997 -7.261 2.311 1.00 . A A . 64 GLN CB 1 1 15 8253 1 1 20 GLN CD C 5.751 -7.576 1.252 1.00 . A A . 64 GLN CD 1 1 15 8254 1 1 20 GLN CG C 6.771 -6.541 1.732 1.00 . A A . 64 GLN CG 1 1 15 8255 1 1 20 GLN H H 8.059 -4.611 1.931 1.00 . A A . 64 GLN H 1 1 15 8256 1 1 20 GLN HA H 9.075 -6.497 4.022 1.00 . A A . 64 GLN HA 1 1 15 8257 1 1 20 GLN HB2 H 8.507 -7.783 1.516 1.00 . A A . 64 GLN HB2 1 1 15 8258 1 1 20 GLN HB3 H 7.670 -7.977 3.051 1.00 . A A . 64 GLN HB3 1 1 15 8259 1 1 20 GLN HE21 H 5.614 -6.799 -0.572 1.00 . A A . 64 GLN HE21 1 1 15 8260 1 1 20 GLN HE22 H 4.643 -8.172 -0.286 1.00 . A A . 64 GLN HE22 1 1 15 8261 1 1 20 GLN HG2 H 6.322 -5.921 2.496 1.00 . A A . 64 GLN HG2 1 1 15 8262 1 1 20 GLN HG3 H 7.073 -5.925 0.900 1.00 . A A . 64 GLN HG3 1 1 15 8263 1 1 20 GLN N N 8.401 -4.898 2.804 1.00 . A A . 64 GLN N 1 1 15 8264 1 1 20 GLN NE2 N 5.299 -7.510 0.031 1.00 . A A . 64 GLN NE2 1 1 15 8265 1 1 20 GLN O O 10.816 -5.382 1.713 1.00 . A A . 64 GLN O 1 1 15 8266 1 1 20 GLN OE1 O 5.362 -8.454 1.998 1.00 . A A . 64 GLN OE1 1 1 15 8267 1 1 21 LEU C C 12.223 -7.973 0.272 1.00 . A A . 65 LEU C 1 1 15 8268 1 1 21 LEU CA C 12.352 -7.595 1.747 1.00 . A A . 65 LEU CA 1 1 15 8269 1 1 21 LEU CB C 13.047 -8.711 2.526 1.00 . A A . 65 LEU CB 1 1 15 8270 1 1 21 LEU CD1 C 15.218 -8.890 3.752 1.00 . A A . 65 LEU CD1 1 1 15 8271 1 1 21 LEU CD2 C 15.098 -9.488 1.330 1.00 . A A . 65 LEU CD2 1 1 15 8272 1 1 21 LEU CG C 14.564 -8.546 2.413 1.00 . A A . 65 LEU CG 1 1 15 8273 1 1 21 LEU H H 10.614 -8.226 2.859 1.00 . A A . 65 LEU H 1 1 15 8274 1 1 21 LEU HA H 12.900 -6.678 1.850 1.00 . A A . 65 LEU HA 1 1 15 8275 1 1 21 LEU HB2 H 12.756 -8.660 3.565 1.00 . A A . 65 LEU HB2 1 1 15 8276 1 1 21 LEU HB3 H 12.759 -9.668 2.117 1.00 . A A . 65 LEU HB3 1 1 15 8277 1 1 21 LEU HD11 H 14.596 -8.530 4.559 1.00 . A A . 65 LEU HD11 1 1 15 8278 1 1 21 LEU HD12 H 15.330 -9.960 3.834 1.00 . A A . 65 LEU HD12 1 1 15 8279 1 1 21 LEU HD13 H 16.188 -8.420 3.810 1.00 . A A . 65 LEU HD13 1 1 15 8280 1 1 21 LEU HD21 H 14.324 -9.674 0.601 1.00 . A A . 65 LEU HD21 1 1 15 8281 1 1 21 LEU HD22 H 15.948 -9.032 0.844 1.00 . A A . 65 LEU HD22 1 1 15 8282 1 1 21 LEU HD23 H 15.399 -10.421 1.782 1.00 . A A . 65 LEU HD23 1 1 15 8283 1 1 21 LEU HG H 14.796 -7.525 2.150 1.00 . A A . 65 LEU HG 1 1 15 8284 1 1 21 LEU N N 11.005 -7.467 2.377 1.00 . A A . 65 LEU N 1 1 15 8285 1 1 21 LEU O O 13.156 -7.850 -0.497 1.00 . A A . 65 LEU O 1 1 15 8286 1 1 22 GLN C C 10.099 -7.722 -2.288 1.00 . A A . 66 GLN C 1 1 15 8287 1 1 22 GLN CA C 10.876 -8.816 -1.554 1.00 . A A . 66 GLN CA 1 1 15 8288 1 1 22 GLN CB C 10.065 -10.111 -1.504 1.00 . A A . 66 GLN CB 1 1 15 8289 1 1 22 GLN CD C 11.185 -12.332 -1.265 1.00 . A A . 66 GLN CD 1 1 15 8290 1 1 22 GLN CG C 10.715 -11.084 -0.517 1.00 . A A . 66 GLN CG 1 1 15 8291 1 1 22 GLN H H 10.341 -8.516 0.515 1.00 . A A . 66 GLN H 1 1 15 8292 1 1 22 GLN HA H 11.826 -8.992 -2.032 1.00 . A A . 66 GLN HA 1 1 15 8293 1 1 22 GLN HB2 H 9.056 -9.892 -1.184 1.00 . A A . 66 GLN HB2 1 1 15 8294 1 1 22 GLN HB3 H 10.043 -10.559 -2.486 1.00 . A A . 66 GLN HB3 1 1 15 8295 1 1 22 GLN HE21 H 12.721 -11.412 -2.124 1.00 . A A . 66 GLN HE21 1 1 15 8296 1 1 22 GLN HE22 H 12.549 -13.054 -2.516 1.00 . A A . 66 GLN HE22 1 1 15 8297 1 1 22 GLN HG2 H 11.561 -10.605 -0.045 1.00 . A A . 66 GLN HG2 1 1 15 8298 1 1 22 GLN HG3 H 9.994 -11.368 0.235 1.00 . A A . 66 GLN HG3 1 1 15 8299 1 1 22 GLN N N 11.075 -8.429 -0.126 1.00 . A A . 66 GLN N 1 1 15 8300 1 1 22 GLN NE2 N 12.239 -12.259 -2.032 1.00 . A A . 66 GLN NE2 1 1 15 8301 1 1 22 GLN O O 10.158 -7.606 -3.497 1.00 . A A . 66 GLN O 1 1 15 8302 1 1 22 GLN OE1 O 10.588 -13.384 -1.152 1.00 . A A . 66 GLN OE1 1 1 15 8303 1 1 23 SER C C 7.838 -5.034 -1.129 1.00 . A A . 67 SER C 1 1 15 8304 1 1 23 SER CA C 8.582 -5.831 -2.206 1.00 . A A . 67 SER CA 1 1 15 8305 1 1 23 SER CB C 7.600 -6.547 -3.133 1.00 . A A . 67 SER CB 1 1 15 8306 1 1 23 SER H H 9.338 -7.036 -0.591 1.00 . A A . 67 SER H 1 1 15 8307 1 1 23 SER HA H 9.228 -5.182 -2.778 1.00 . A A . 67 SER HA 1 1 15 8308 1 1 23 SER HB2 H 6.979 -5.821 -3.634 1.00 . A A . 67 SER HB2 1 1 15 8309 1 1 23 SER HB3 H 8.151 -7.115 -3.870 1.00 . A A . 67 SER HB3 1 1 15 8310 1 1 23 SER HG H 5.999 -7.626 -2.887 1.00 . A A . 67 SER HG 1 1 15 8311 1 1 23 SER N N 9.369 -6.921 -1.564 1.00 . A A . 67 SER N 1 1 15 8312 1 1 23 SER O O 8.403 -4.675 -0.117 1.00 . A A . 67 SER O 1 1 15 8313 1 1 23 SER OG O 6.776 -7.414 -2.365 1.00 . A A . 67 SER OG 1 1 15 8314 1 1 24 TYR C C 4.307 -4.196 -0.518 1.00 . A A . 68 TYR C 1 1 15 8315 1 1 24 TYR CA C 5.809 -3.994 -0.306 1.00 . A A . 68 TYR CA 1 1 15 8316 1 1 24 TYR CB C 6.198 -2.531 -0.520 1.00 . A A . 68 TYR CB 1 1 15 8317 1 1 24 TYR CD1 C 6.426 -2.345 -3.022 1.00 . A A . 68 TYR CD1 1 1 15 8318 1 1 24 TYR CD2 C 4.491 -1.349 -1.952 1.00 . A A . 68 TYR CD2 1 1 15 8319 1 1 24 TYR CE1 C 5.959 -1.912 -4.269 1.00 . A A . 68 TYR CE1 1 1 15 8320 1 1 24 TYR CE2 C 4.024 -0.917 -3.198 1.00 . A A . 68 TYR CE2 1 1 15 8321 1 1 24 TYR CG C 5.692 -2.064 -1.864 1.00 . A A . 68 TYR CG 1 1 15 8322 1 1 24 TYR CZ C 4.758 -1.198 -4.357 1.00 . A A . 68 TYR CZ 1 1 15 8323 1 1 24 TYR H H 6.133 -5.054 -2.151 1.00 . A A . 68 TYR H 1 1 15 8324 1 1 24 TYR HA H 6.093 -4.308 0.686 1.00 . A A . 68 TYR HA 1 1 15 8325 1 1 24 TYR HB2 H 5.759 -1.925 0.261 1.00 . A A . 68 TYR HB2 1 1 15 8326 1 1 24 TYR HB3 H 7.274 -2.439 -0.486 1.00 . A A . 68 TYR HB3 1 1 15 8327 1 1 24 TYR HD1 H 7.354 -2.894 -2.953 1.00 . A A . 68 TYR HD1 1 1 15 8328 1 1 24 TYR HD2 H 3.925 -1.133 -1.057 1.00 . A A . 68 TYR HD2 1 1 15 8329 1 1 24 TYR HE1 H 6.525 -2.129 -5.163 1.00 . A A . 68 TYR HE1 1 1 15 8330 1 1 24 TYR HE2 H 3.099 -0.364 -3.266 1.00 . A A . 68 TYR HE2 1 1 15 8331 1 1 24 TYR HH H 3.526 -0.219 -5.437 1.00 . A A . 68 TYR HH 1 1 15 8332 1 1 24 TYR N N 6.577 -4.757 -1.332 1.00 . A A . 68 TYR N 1 1 15 8333 1 1 24 TYR O O 3.846 -4.367 -1.629 1.00 . A A . 68 TYR O 1 1 15 8334 1 1 24 TYR OH O 4.298 -0.770 -5.586 1.00 . A A . 68 TYR OH 1 1 15 8335 1 1 25 ILE C C 1.311 -3.408 1.294 1.00 . A A . 69 ILE C 1 1 15 8336 1 1 25 ILE CA C 2.071 -4.381 0.390 1.00 . A A . 69 ILE CA 1 1 15 8337 1 1 25 ILE CB C 1.829 -5.831 0.810 1.00 . A A . 69 ILE CB 1 1 15 8338 1 1 25 ILE CD1 C 1.593 -8.148 -0.083 1.00 . A A . 69 ILE CD1 1 1 15 8339 1 1 25 ILE CG1 C 2.094 -6.739 -0.389 1.00 . A A . 69 ILE CG1 1 1 15 8340 1 1 25 ILE CG2 C 0.379 -6.014 1.273 1.00 . A A . 69 ILE CG2 1 1 15 8341 1 1 25 ILE H H 3.933 -4.047 1.426 1.00 . A A . 69 ILE H 1 1 15 8342 1 1 25 ILE HA H 1.776 -4.247 -0.638 1.00 . A A . 69 ILE HA 1 1 15 8343 1 1 25 ILE HB H 2.500 -6.091 1.615 1.00 . A A . 69 ILE HB 1 1 15 8344 1 1 25 ILE HD11 H 1.774 -8.373 0.958 1.00 . A A . 69 ILE HD11 1 1 15 8345 1 1 25 ILE HD12 H 0.535 -8.205 -0.287 1.00 . A A . 69 ILE HD12 1 1 15 8346 1 1 25 ILE HD13 H 2.120 -8.860 -0.702 1.00 . A A . 69 ILE HD13 1 1 15 8347 1 1 25 ILE HG12 H 1.573 -6.350 -1.253 1.00 . A A . 69 ILE HG12 1 1 15 8348 1 1 25 ILE HG13 H 3.154 -6.770 -0.591 1.00 . A A . 69 ILE HG13 1 1 15 8349 1 1 25 ILE HG21 H -0.291 -5.705 0.486 1.00 . A A . 69 ILE HG21 1 1 15 8350 1 1 25 ILE HG22 H 0.205 -7.054 1.507 1.00 . A A . 69 ILE HG22 1 1 15 8351 1 1 25 ILE HG23 H 0.204 -5.413 2.153 1.00 . A A . 69 ILE HG23 1 1 15 8352 1 1 25 ILE N N 3.541 -4.183 0.537 1.00 . A A . 69 ILE N 1 1 15 8353 1 1 25 ILE O O 1.488 -3.388 2.494 1.00 . A A . 69 ILE O 1 1 15 8354 1 1 26 CYS C C -1.500 -2.318 2.217 1.00 . A A . 70 CYS C 1 1 15 8355 1 1 26 CYS CA C -0.308 -1.630 1.549 1.00 . A A . 70 CYS CA 1 1 15 8356 1 1 26 CYS CB C -0.791 -0.572 0.565 1.00 . A A . 70 CYS CB 1 1 15 8357 1 1 26 CYS H H 0.333 -2.634 -0.247 1.00 . A A . 70 CYS H 1 1 15 8358 1 1 26 CYS HA H 0.329 -1.177 2.287 1.00 . A A . 70 CYS HA 1 1 15 8359 1 1 26 CYS HB2 H -1.297 -1.051 -0.257 1.00 . A A . 70 CYS HB2 1 1 15 8360 1 1 26 CYS HB3 H -1.471 0.098 1.067 1.00 . A A . 70 CYS HB3 1 1 15 8361 1 1 26 CYS N N 0.463 -2.601 0.724 1.00 . A A . 70 CYS N 1 1 15 8362 1 1 26 CYS O O -2.130 -3.186 1.645 1.00 . A A . 70 CYS O 1 1 15 8363 1 1 26 CYS SG S 0.622 0.365 -0.061 1.00 . A A . 70 CYS SG 1 1 15 8364 1 1 27 PHE C C -4.177 -1.607 4.084 1.00 . A A . 71 PHE C 1 1 15 8365 1 1 27 PHE CA C -2.975 -2.552 4.124 1.00 . A A . 71 PHE CA 1 1 15 8366 1 1 27 PHE CB C -2.503 -2.762 5.562 1.00 . A A . 71 PHE CB 1 1 15 8367 1 1 27 PHE CD1 C -0.690 -4.360 4.849 1.00 . A A . 71 PHE CD1 1 1 15 8368 1 1 27 PHE CD2 C -2.229 -5.046 6.593 1.00 . A A . 71 PHE CD2 1 1 15 8369 1 1 27 PHE CE1 C -0.028 -5.590 4.949 1.00 . A A . 71 PHE CE1 1 1 15 8370 1 1 27 PHE CE2 C -1.568 -6.276 6.693 1.00 . A A . 71 PHE CE2 1 1 15 8371 1 1 27 PHE CG C -1.790 -4.088 5.671 1.00 . A A . 71 PHE CG 1 1 15 8372 1 1 27 PHE CZ C -0.467 -6.548 5.872 1.00 . A A . 71 PHE CZ 1 1 15 8373 1 1 27 PHE H H -1.300 -1.224 3.861 1.00 . A A . 71 PHE H 1 1 15 8374 1 1 27 PHE HA H -3.224 -3.501 3.674 1.00 . A A . 71 PHE HA 1 1 15 8375 1 1 27 PHE HB2 H -1.827 -1.964 5.838 1.00 . A A . 71 PHE HB2 1 1 15 8376 1 1 27 PHE HB3 H -3.359 -2.758 6.224 1.00 . A A . 71 PHE HB3 1 1 15 8377 1 1 27 PHE HD1 H -0.351 -3.621 4.138 1.00 . A A . 71 PHE HD1 1 1 15 8378 1 1 27 PHE HD2 H -3.078 -4.836 7.226 1.00 . A A . 71 PHE HD2 1 1 15 8379 1 1 27 PHE HE1 H 0.821 -5.800 4.316 1.00 . A A . 71 PHE HE1 1 1 15 8380 1 1 27 PHE HE2 H -1.907 -7.015 7.405 1.00 . A A . 71 PHE HE2 1 1 15 8381 1 1 27 PHE HZ H 0.043 -7.496 5.949 1.00 . A A . 71 PHE HZ 1 1 15 8382 1 1 27 PHE N N -1.819 -1.930 3.421 1.00 . A A . 71 PHE N 1 1 15 8383 1 1 27 PHE O O -4.410 -0.845 5.002 1.00 . A A . 71 PHE O 1 1 15 8384 1 1 28 CYS C C -7.114 -1.057 4.050 1.00 . A A . 72 CYS C 1 1 15 8385 1 1 28 CYS CA C -6.123 -0.747 2.927 1.00 . A A . 72 CYS CA 1 1 15 8386 1 1 28 CYS CB C -6.747 -1.054 1.563 1.00 . A A . 72 CYS CB 1 1 15 8387 1 1 28 CYS H H -4.731 -2.269 2.299 1.00 . A A . 72 CYS H 1 1 15 8388 1 1 28 CYS HA H -5.817 0.286 2.968 1.00 . A A . 72 CYS HA 1 1 15 8389 1 1 28 CYS HB2 H -7.191 -2.038 1.587 1.00 . A A . 72 CYS HB2 1 1 15 8390 1 1 28 CYS HB3 H -7.510 -0.319 1.343 1.00 . A A . 72 CYS HB3 1 1 15 8391 1 1 28 CYS N N -4.938 -1.647 3.026 1.00 . A A . 72 CYS N 1 1 15 8392 1 1 28 CYS O O -6.877 -1.912 4.881 1.00 . A A . 72 CYS O 1 1 15 8393 1 1 28 CYS SG S -5.471 -1.001 0.279 1.00 . A A . 72 CYS SG 1 1 15 8394 1 1 29 LEU C C -10.378 -1.478 4.591 1.00 . A A . 73 LEU C 1 1 15 8395 1 1 29 LEU CA C -9.230 -0.635 5.152 1.00 . A A . 73 LEU CA 1 1 15 8396 1 1 29 LEU CB C -9.734 0.748 5.572 1.00 . A A . 73 LEU CB 1 1 15 8397 1 1 29 LEU CD1 C -9.067 3.128 5.955 1.00 . A A . 73 LEU CD1 1 1 15 8398 1 1 29 LEU CD2 C -7.664 1.275 6.874 1.00 . A A . 73 LEU CD2 1 1 15 8399 1 1 29 LEU CG C -8.550 1.710 5.702 1.00 . A A . 73 LEU CG 1 1 15 8400 1 1 29 LEU H H -8.401 0.310 3.401 1.00 . A A . 73 LEU H 1 1 15 8401 1 1 29 LEU HA H -8.769 -1.132 5.990 1.00 . A A . 73 LEU HA 1 1 15 8402 1 1 29 LEU HB2 H -10.421 1.121 4.827 1.00 . A A . 73 LEU HB2 1 1 15 8403 1 1 29 LEU HB3 H -10.239 0.673 6.522 1.00 . A A . 73 LEU HB3 1 1 15 8404 1 1 29 LEU HD11 H -9.736 3.122 6.804 1.00 . A A . 73 LEU HD11 1 1 15 8405 1 1 29 LEU HD12 H -8.233 3.785 6.160 1.00 . A A . 73 LEU HD12 1 1 15 8406 1 1 29 LEU HD13 H -9.596 3.482 5.083 1.00 . A A . 73 LEU HD13 1 1 15 8407 1 1 29 LEU HD21 H -7.524 0.205 6.841 1.00 . A A . 73 LEU HD21 1 1 15 8408 1 1 29 LEU HD22 H -6.705 1.766 6.803 1.00 . A A . 73 LEU HD22 1 1 15 8409 1 1 29 LEU HD23 H -8.141 1.547 7.804 1.00 . A A . 73 LEU HD23 1 1 15 8410 1 1 29 LEU HG H -7.974 1.696 4.788 1.00 . A A . 73 LEU HG 1 1 15 8411 1 1 29 LEU N N -8.225 -0.374 4.082 1.00 . A A . 73 LEU N 1 1 15 8412 1 1 29 LEU O O -10.396 -1.796 3.419 1.00 . A A . 73 LEU O 1 1 15 8413 1 1 30 PRO C C -13.262 -1.885 3.947 1.00 . A A . 74 PRO C 1 1 15 8414 1 1 30 PRO CA C -12.470 -2.623 5.028 1.00 . A A . 74 PRO CA 1 1 15 8415 1 1 30 PRO CB C -13.301 -2.777 6.303 1.00 . A A . 74 PRO CB 1 1 15 8416 1 1 30 PRO CD C -11.351 -1.465 6.871 1.00 . A A . 74 PRO CD 1 1 15 8417 1 1 30 PRO CG C -12.389 -2.398 7.431 1.00 . A A . 74 PRO CG 1 1 15 8418 1 1 30 PRO HA H -12.151 -3.589 4.675 1.00 . A A . 74 PRO HA 1 1 15 8419 1 1 30 PRO HB2 H -14.157 -2.114 6.273 1.00 . A A . 74 PRO HB2 1 1 15 8420 1 1 30 PRO HB3 H -13.624 -3.801 6.419 1.00 . A A . 74 PRO HB3 1 1 15 8421 1 1 30 PRO HD2 H -11.656 -0.436 7.006 1.00 . A A . 74 PRO HD2 1 1 15 8422 1 1 30 PRO HD3 H -10.392 -1.644 7.330 1.00 . A A . 74 PRO HD3 1 1 15 8423 1 1 30 PRO HG2 H -12.954 -1.902 8.208 1.00 . A A . 74 PRO HG2 1 1 15 8424 1 1 30 PRO HG3 H -11.910 -3.279 7.828 1.00 . A A . 74 PRO HG3 1 1 15 8425 1 1 30 PRO N N -11.303 -1.810 5.449 1.00 . A A . 74 PRO N 1 1 15 8426 1 1 30 PRO O O -14.115 -2.450 3.290 1.00 . A A . 74 PRO O 1 1 15 8427 1 1 31 ALA C C -13.124 -0.117 1.337 1.00 . A A . 75 ALA C 1 1 15 8428 1 1 31 ALA CA C -13.714 0.157 2.722 1.00 . A A . 75 ALA CA 1 1 15 8429 1 1 31 ALA CB C -13.500 1.619 3.112 1.00 . A A . 75 ALA CB 1 1 15 8430 1 1 31 ALA H H -12.293 -0.194 4.301 1.00 . A A . 75 ALA H 1 1 15 8431 1 1 31 ALA HA H -14.765 -0.080 2.740 1.00 . A A . 75 ALA HA 1 1 15 8432 1 1 31 ALA HB1 H -12.458 1.779 3.349 1.00 . A A . 75 ALA HB1 1 1 15 8433 1 1 31 ALA HB2 H -13.783 2.256 2.287 1.00 . A A . 75 ALA HB2 1 1 15 8434 1 1 31 ALA HB3 H -14.106 1.855 3.975 1.00 . A A . 75 ALA HB3 1 1 15 8435 1 1 31 ALA N N -12.983 -0.627 3.759 1.00 . A A . 75 ALA N 1 1 15 8436 1 1 31 ALA O O -13.811 -0.054 0.337 1.00 . A A . 75 ALA O 1 1 15 8437 1 1 32 PHE C C -10.613 -2.087 -0.072 1.00 . A A . 76 PHE C 1 1 15 8438 1 1 32 PHE CA C -11.226 -0.685 -0.055 1.00 . A A . 76 PHE CA 1 1 15 8439 1 1 32 PHE CB C -10.134 0.378 -0.210 1.00 . A A . 76 PHE CB 1 1 15 8440 1 1 32 PHE CD1 C -10.662 2.035 1.614 1.00 . A A . 76 PHE CD1 1 1 15 8441 1 1 32 PHE CD2 C -11.133 2.644 -0.685 1.00 . A A . 76 PHE CD2 1 1 15 8442 1 1 32 PHE CE1 C -11.145 3.277 2.043 1.00 . A A . 76 PHE CE1 1 1 15 8443 1 1 32 PHE CE2 C -11.617 3.886 -0.256 1.00 . A A . 76 PHE CE2 1 1 15 8444 1 1 32 PHE CG C -10.657 1.718 0.251 1.00 . A A . 76 PHE CG 1 1 15 8445 1 1 32 PHE CZ C -11.623 4.203 1.108 1.00 . A A . 76 PHE CZ 1 1 15 8446 1 1 32 PHE H H -11.316 -0.456 2.081 1.00 . A A . 76 PHE H 1 1 15 8447 1 1 32 PHE HA H -11.952 -0.583 -0.841 1.00 . A A . 76 PHE HA 1 1 15 8448 1 1 32 PHE HB2 H -9.276 0.102 0.388 1.00 . A A . 76 PHE HB2 1 1 15 8449 1 1 32 PHE HB3 H -9.843 0.445 -1.249 1.00 . A A . 76 PHE HB3 1 1 15 8450 1 1 32 PHE HD1 H -10.294 1.321 2.336 1.00 . A A . 76 PHE HD1 1 1 15 8451 1 1 32 PHE HD2 H -11.129 2.399 -1.737 1.00 . A A . 76 PHE HD2 1 1 15 8452 1 1 32 PHE HE1 H -11.150 3.521 3.095 1.00 . A A . 76 PHE HE1 1 1 15 8453 1 1 32 PHE HE2 H -11.985 4.600 -0.979 1.00 . A A . 76 PHE HE2 1 1 15 8454 1 1 32 PHE HZ H -11.996 5.161 1.438 1.00 . A A . 76 PHE HZ 1 1 15 8455 1 1 32 PHE N N -11.855 -0.414 1.268 1.00 . A A . 76 PHE N 1 1 15 8456 1 1 32 PHE O O -10.794 -2.868 0.840 1.00 . A A . 76 PHE O 1 1 15 8457 1 1 33 GLU C C -8.179 -3.782 -2.271 1.00 . A A . 77 GLU C 1 1 15 8458 1 1 33 GLU CA C -9.260 -3.763 -1.185 1.00 . A A . 77 GLU CA 1 1 15 8459 1 1 33 GLU CB C -10.403 -4.710 -1.550 1.00 . A A . 77 GLU CB 1 1 15 8460 1 1 33 GLU CD C -11.678 -6.676 -0.683 1.00 . A A . 77 GLU CD 1 1 15 8461 1 1 33 GLU CG C -10.906 -5.416 -0.290 1.00 . A A . 77 GLU CG 1 1 15 8462 1 1 33 GLU H H -9.751 -1.767 -1.832 1.00 . A A . 77 GLU H 1 1 15 8463 1 1 33 GLU HA H -8.840 -4.041 -0.231 1.00 . A A . 77 GLU HA 1 1 15 8464 1 1 33 GLU HB2 H -11.210 -4.144 -1.993 1.00 . A A . 77 GLU HB2 1 1 15 8465 1 1 33 GLU HB3 H -10.050 -5.446 -2.256 1.00 . A A . 77 GLU HB3 1 1 15 8466 1 1 33 GLU HG2 H -10.064 -5.688 0.331 1.00 . A A . 77 GLU HG2 1 1 15 8467 1 1 33 GLU HG3 H -11.558 -4.753 0.259 1.00 . A A . 77 GLU HG3 1 1 15 8468 1 1 33 GLU N N -9.885 -2.412 -1.106 1.00 . A A . 77 GLU N 1 1 15 8469 1 1 33 GLU O O -8.292 -3.119 -3.283 1.00 . A A . 77 GLU O 1 1 15 8470 1 1 33 GLU OE1 O -11.946 -6.839 -1.863 1.00 . A A . 77 GLU OE1 1 1 15 8471 1 1 33 GLU OE2 O -11.989 -7.457 0.201 1.00 . A A . 77 GLU OE2 1 1 15 8472 1 1 34 GLY C C -4.728 -4.153 -2.465 1.00 . A A . 78 GLY C 1 1 15 8473 1 1 34 GLY CA C -6.051 -4.595 -3.092 1.00 . A A . 78 GLY CA 1 1 15 8474 1 1 34 GLY H H -7.061 -5.063 -1.247 1.00 . A A . 78 GLY H 1 1 15 8475 1 1 34 GLY HA2 H -5.958 -5.608 -3.458 1.00 . A A . 78 GLY HA2 1 1 15 8476 1 1 34 GLY HA3 H -6.294 -3.937 -3.912 1.00 . A A . 78 GLY HA3 1 1 15 8477 1 1 34 GLY N N -7.134 -4.536 -2.069 1.00 . A A . 78 GLY N 1 1 15 8478 1 1 34 GLY O O -4.701 -3.510 -1.435 1.00 . A A . 78 GLY O 1 1 15 8479 1 1 35 ARG C C -2.126 -2.575 -2.615 1.00 . A A . 79 ARG C 1 1 15 8480 1 1 35 ARG CA C -2.305 -4.094 -2.521 1.00 . A A . 79 ARG CA 1 1 15 8481 1 1 35 ARG CB C -1.272 -4.809 -3.393 1.00 . A A . 79 ARG CB 1 1 15 8482 1 1 35 ARG CD C -0.508 -7.188 -3.353 1.00 . A A . 79 ARG CD 1 1 15 8483 1 1 35 ARG CG C -1.700 -6.263 -3.604 1.00 . A A . 79 ARG CG 1 1 15 8484 1 1 35 ARG CZ C -0.477 -9.487 -2.593 1.00 . A A . 79 ARG CZ 1 1 15 8485 1 1 35 ARG H H -3.672 -5.012 -3.911 1.00 . A A . 79 ARG H 1 1 15 8486 1 1 35 ARG HA H -2.213 -4.421 -1.497 1.00 . A A . 79 ARG HA 1 1 15 8487 1 1 35 ARG HB2 H -1.202 -4.311 -4.349 1.00 . A A . 79 ARG HB2 1 1 15 8488 1 1 35 ARG HB3 H -0.311 -4.787 -2.904 1.00 . A A . 79 ARG HB3 1 1 15 8489 1 1 35 ARG HD2 H 0.192 -7.129 -4.176 1.00 . A A . 79 ARG HD2 1 1 15 8490 1 1 35 ARG HD3 H -0.023 -6.934 -2.425 1.00 . A A . 79 ARG HD3 1 1 15 8491 1 1 35 ARG HE H -1.943 -8.753 -3.713 1.00 . A A . 79 ARG HE 1 1 15 8492 1 1 35 ARG HG2 H -2.497 -6.506 -2.917 1.00 . A A . 79 ARG HG2 1 1 15 8493 1 1 35 ARG HG3 H -2.047 -6.392 -4.618 1.00 . A A . 79 ARG HG3 1 1 15 8494 1 1 35 ARG HH11 H 0.676 -10.047 -4.131 1.00 . A A . 79 ARG HH11 1 1 15 8495 1 1 35 ARG HH12 H 0.916 -10.923 -2.657 1.00 . A A . 79 ARG HH12 1 1 15 8496 1 1 35 ARG HH21 H -1.486 -9.145 -0.899 1.00 . A A . 79 ARG HH21 1 1 15 8497 1 1 35 ARG HH22 H -0.308 -10.413 -0.826 1.00 . A A . 79 ARG HH22 1 1 15 8498 1 1 35 ARG N N -3.628 -4.493 -3.080 1.00 . A A . 79 ARG N 1 1 15 8499 1 1 35 ARG NE N -1.094 -8.555 -3.266 1.00 . A A . 79 ARG NE 1 1 15 8500 1 1 35 ARG NH1 N 0.443 -10.209 -3.172 1.00 . A A . 79 ARG NH1 1 1 15 8501 1 1 35 ARG NH2 N -0.781 -9.698 -1.342 1.00 . A A . 79 ARG NH2 1 1 15 8502 1 1 35 ARG O O -1.169 -2.022 -2.113 1.00 . A A . 79 ARG O 1 1 15 8503 1 1 36 ASN C C -4.291 0.238 -3.164 1.00 . A A . 80 ASN C 1 1 15 8504 1 1 36 ASN CA C -2.924 -0.418 -3.379 1.00 . A A . 80 ASN CA 1 1 15 8505 1 1 36 ASN CB C -2.434 -0.178 -4.807 1.00 . A A . 80 ASN CB 1 1 15 8506 1 1 36 ASN CG C -1.220 -1.066 -5.086 1.00 . A A . 80 ASN CG 1 1 15 8507 1 1 36 ASN H H -3.806 -2.364 -3.652 1.00 . A A . 80 ASN H 1 1 15 8508 1 1 36 ASN HA H -2.205 -0.034 -2.672 1.00 . A A . 80 ASN HA 1 1 15 8509 1 1 36 ASN HB2 H -3.225 -0.419 -5.503 1.00 . A A . 80 ASN HB2 1 1 15 8510 1 1 36 ASN HB3 H -2.155 0.858 -4.924 1.00 . A A . 80 ASN HB3 1 1 15 8511 1 1 36 ASN HD21 H 0.096 0.350 -4.618 1.00 . A A . 80 ASN HD21 1 1 15 8512 1 1 36 ASN HD22 H 0.766 -1.144 -5.098 1.00 . A A . 80 ASN HD22 1 1 15 8513 1 1 36 ASN N N -3.041 -1.899 -3.253 1.00 . A A . 80 ASN N 1 1 15 8514 1 1 36 ASN ND2 N -0.021 -0.580 -4.920 1.00 . A A . 80 ASN ND2 1 1 15 8515 1 1 36 ASN O O -4.534 1.346 -3.597 1.00 . A A . 80 ASN O 1 1 15 8516 1 1 36 ASN OD1 O -1.364 -2.212 -5.460 1.00 . A A . 80 ASN OD1 1 1 15 8517 1 1 37 CYS C C -7.180 0.539 -3.599 1.00 . A A . 81 CYS C 1 1 15 8518 1 1 37 CYS CA C -6.541 0.140 -2.266 1.00 . A A . 81 CYS CA 1 1 15 8519 1 1 37 CYS CB C -6.301 1.378 -1.398 1.00 . A A . 81 CYS CB 1 1 15 8520 1 1 37 CYS H H -4.974 -1.337 -2.163 1.00 . A A . 81 CYS H 1 1 15 8521 1 1 37 CYS HA H -7.168 -0.563 -1.741 1.00 . A A . 81 CYS HA 1 1 15 8522 1 1 37 CYS HB2 H -5.869 2.163 -2.001 1.00 . A A . 81 CYS HB2 1 1 15 8523 1 1 37 CYS HB3 H -7.243 1.716 -0.989 1.00 . A A . 81 CYS HB3 1 1 15 8524 1 1 37 CYS N N -5.188 -0.442 -2.502 1.00 . A A . 81 CYS N 1 1 15 8525 1 1 37 CYS O O -8.123 1.304 -3.642 1.00 . A A . 81 CYS O 1 1 15 8526 1 1 37 CYS SG S -5.170 0.969 -0.044 1.00 . A A . 81 CYS SG 1 1 15 8527 1 1 38 GLU C C -8.676 -0.163 -6.136 1.00 . A A . 82 GLU C 1 1 15 8528 1 1 38 GLU CA C -7.248 0.379 -6.017 1.00 . A A . 82 GLU CA 1 1 15 8529 1 1 38 GLU CB C -6.327 -0.297 -7.036 1.00 . A A . 82 GLU CB 1 1 15 8530 1 1 38 GLU CD C -6.031 -0.840 -9.457 1.00 . A A . 82 GLU CD 1 1 15 8531 1 1 38 GLU CG C -7.024 -0.361 -8.395 1.00 . A A . 82 GLU CG 1 1 15 8532 1 1 38 GLU H H -5.911 -0.587 -4.631 1.00 . A A . 82 GLU H 1 1 15 8533 1 1 38 GLU HA H -7.237 1.447 -6.162 1.00 . A A . 82 GLU HA 1 1 15 8534 1 1 38 GLU HB2 H -5.413 0.275 -7.126 1.00 . A A . 82 GLU HB2 1 1 15 8535 1 1 38 GLU HB3 H -6.096 -1.299 -6.703 1.00 . A A . 82 GLU HB3 1 1 15 8536 1 1 38 GLU HG2 H -7.855 -1.050 -8.342 1.00 . A A . 82 GLU HG2 1 1 15 8537 1 1 38 GLU HG3 H -7.388 0.620 -8.662 1.00 . A A . 82 GLU HG3 1 1 15 8538 1 1 38 GLU N N -6.672 0.027 -4.687 1.00 . A A . 82 GLU N 1 1 15 8539 1 1 38 GLU O O -9.460 0.301 -6.941 1.00 . A A . 82 GLU O 1 1 15 8540 1 1 38 GLU OE1 O -5.018 -0.182 -9.631 1.00 . A A . 82 GLU OE1 1 1 15 8541 1 1 38 GLU OE2 O -6.301 -1.856 -10.077 1.00 . A A . 82 GLU OE2 1 1 15 8542 1 1 39 THR C C -11.284 -1.075 -4.337 1.00 . A A . 83 THR C 1 1 15 8543 1 1 39 THR CA C -10.397 -1.705 -5.413 1.00 . A A . 83 THR CA 1 1 15 8544 1 1 39 THR CB C -10.226 -3.203 -5.157 1.00 . A A . 83 THR CB 1 1 15 8545 1 1 39 THR CG2 C -11.392 -3.965 -5.787 1.00 . A A . 83 THR CG2 1 1 15 8546 1 1 39 THR H H -8.374 -1.500 -4.699 1.00 . A A . 83 THR H 1 1 15 8547 1 1 39 THR HA H -10.821 -1.546 -6.393 1.00 . A A . 83 THR HA 1 1 15 8548 1 1 39 THR HB H -10.213 -3.388 -4.094 1.00 . A A . 83 THR HB 1 1 15 8549 1 1 39 THR HG1 H -8.655 -4.350 -5.182 1.00 . A A . 83 THR HG1 1 1 15 8550 1 1 39 THR HG21 H -12.171 -3.268 -6.060 1.00 . A A . 83 THR HG21 1 1 15 8551 1 1 39 THR HG22 H -11.048 -4.485 -6.669 1.00 . A A . 83 THR HG22 1 1 15 8552 1 1 39 THR HG23 H -11.781 -4.679 -5.077 1.00 . A A . 83 THR HG23 1 1 15 8553 1 1 39 THR N N -9.019 -1.139 -5.342 1.00 . A A . 83 THR N 1 1 15 8554 1 1 39 THR O O -11.636 -1.707 -3.361 1.00 . A A . 83 THR O 1 1 15 8555 1 1 39 THR OG1 O -9.003 -3.643 -5.731 1.00 . A A . 83 THR OG1 1 1 15 8556 1 1 40 HIS C C -13.908 0.201 -3.493 1.00 . A A . 84 HIS C 1 1 15 8557 1 1 40 HIS CA C -12.515 0.836 -3.497 1.00 . A A . 84 HIS CA 1 1 15 8558 1 1 40 HIS CB C -12.589 2.296 -3.942 1.00 . A A . 84 HIS CB 1 1 15 8559 1 1 40 HIS CD2 C -14.024 2.921 -1.831 1.00 . A A . 84 HIS CD2 1 1 15 8560 1 1 40 HIS CE1 C -15.306 4.406 -2.750 1.00 . A A . 84 HIS CE1 1 1 15 8561 1 1 40 HIS CG C -13.648 3.010 -3.149 1.00 . A A . 84 HIS CG 1 1 15 8562 1 1 40 HIS H H -11.355 0.657 -5.304 1.00 . A A . 84 HIS H 1 1 15 8563 1 1 40 HIS HA H -12.068 0.771 -2.517 1.00 . A A . 84 HIS HA 1 1 15 8564 1 1 40 HIS HB2 H -11.634 2.772 -3.777 1.00 . A A . 84 HIS HB2 1 1 15 8565 1 1 40 HIS HB3 H -12.836 2.340 -4.992 1.00 . A A . 84 HIS HB3 1 1 15 8566 1 1 40 HIS HD1 H -14.468 4.261 -4.649 1.00 . A A . 84 HIS HD1 1 1 15 8567 1 1 40 HIS HD2 H -13.575 2.266 -1.099 1.00 . A A . 84 HIS HD2 1 1 15 8568 1 1 40 HIS HE1 H -16.067 5.157 -2.901 1.00 . A A . 84 HIS HE1 1 1 15 8569 1 1 40 HIS N N -11.649 0.166 -4.509 1.00 . A A . 84 HIS N 1 1 15 8570 1 1 40 HIS ND1 N -14.480 3.964 -3.715 1.00 . A A . 84 HIS ND1 1 1 15 8571 1 1 40 HIS NE2 N -15.071 3.803 -1.581 1.00 . A A . 84 HIS NE2 1 1 15 8572 1 1 40 HIS O O -14.661 0.330 -4.438 1.00 . A A . 84 HIS O 1 1 15 8573 1 1 41 LYS C C -16.699 -0.066 -2.492 1.00 . A A . 85 LYS C 1 1 15 8574 1 1 41 LYS CA C -15.600 -1.127 -2.378 1.00 . A A . 85 LYS CA 1 1 15 8575 1 1 41 LYS CB C -15.654 -1.809 -1.011 1.00 . A A . 85 LYS CB 1 1 15 8576 1 1 41 LYS CD C -14.213 -3.091 0.578 1.00 . A A . 85 LYS CD 1 1 15 8577 1 1 41 LYS CE C -14.286 -4.596 0.845 1.00 . A A . 85 LYS CE 1 1 15 8578 1 1 41 LYS CG C -14.508 -2.818 -0.898 1.00 . A A . 85 LYS CG 1 1 15 8579 1 1 41 LYS H H -13.634 -0.575 -1.687 1.00 . A A . 85 LYS H 1 1 15 8580 1 1 41 LYS HA H -15.703 -1.861 -3.161 1.00 . A A . 85 LYS HA 1 1 15 8581 1 1 41 LYS HB2 H -15.558 -1.065 -0.233 1.00 . A A . 85 LYS HB2 1 1 15 8582 1 1 41 LYS HB3 H -16.597 -2.326 -0.904 1.00 . A A . 85 LYS HB3 1 1 15 8583 1 1 41 LYS HD2 H -13.223 -2.729 0.819 1.00 . A A . 85 LYS HD2 1 1 15 8584 1 1 41 LYS HD3 H -14.941 -2.582 1.192 1.00 . A A . 85 LYS HD3 1 1 15 8585 1 1 41 LYS HE2 H -14.614 -5.118 -0.045 1.00 . A A . 85 LYS HE2 1 1 15 8586 1 1 41 LYS HE3 H -13.327 -4.968 1.168 1.00 . A A . 85 LYS HE3 1 1 15 8587 1 1 41 LYS HG2 H -14.792 -3.739 -1.386 1.00 . A A . 85 LYS HG2 1 1 15 8588 1 1 41 LYS HG3 H -13.626 -2.416 -1.372 1.00 . A A . 85 LYS HG3 1 1 15 8589 1 1 41 LYS HZ1 H -16.157 -4.236 1.680 1.00 . A A . 85 LYS HZ1 1 1 15 8590 1 1 41 LYS HZ2 H -15.502 -5.753 2.075 1.00 . A A . 85 LYS HZ2 1 1 15 8591 1 1 41 LYS HZ3 H -14.901 -4.351 2.817 1.00 . A A . 85 LYS HZ3 1 1 15 8592 1 1 41 LYS N N -14.257 -0.483 -2.439 1.00 . A A . 85 LYS N 1 1 15 8593 1 1 41 LYS NZ N -15.287 -4.745 1.937 1.00 . A A . 85 LYS NZ 1 1 15 8594 1 1 41 LYS O O -17.052 0.504 -1.473 1.00 . A A . 85 LYS O 1 1 15 8595 1 1 41 LYS OXT O -17.169 0.157 -3.596 1.00 . A A . 85 LYS OXT 1 1 16 8596 1 1 1 SER C C 18.235 5.614 1.054 1.00 . A A . 45 SER C 1 1 16 8597 1 1 1 SER CA C 18.492 4.660 2.223 1.00 . A A . 45 SER CA 1 1 16 8598 1 1 1 SER CB C 18.724 5.444 3.513 1.00 . A A . 45 SER CB 1 1 16 8599 1 1 1 SER H1 H 19.954 3.848 0.981 1.00 . A A . 45 SER H1 1 1 16 8600 1 1 1 SER H2 H 20.541 4.385 2.479 1.00 . A A . 45 SER H2 1 1 16 8601 1 1 1 SER H3 H 19.654 2.939 2.384 1.00 . A A . 45 SER H3 1 1 16 8602 1 1 1 SER HA H 17.662 3.983 2.347 1.00 . A A . 45 SER HA 1 1 16 8603 1 1 1 SER HB2 H 19.739 5.805 3.540 1.00 . A A . 45 SER HB2 1 1 16 8604 1 1 1 SER HB3 H 18.044 6.286 3.550 1.00 . A A . 45 SER HB3 1 1 16 8605 1 1 1 SER HG H 18.674 3.689 4.350 1.00 . A A . 45 SER HG 1 1 16 8606 1 1 1 SER N N 19.757 3.900 2.000 1.00 . A A . 45 SER N 1 1 16 8607 1 1 1 SER O O 18.015 6.794 1.240 1.00 . A A . 45 SER O 1 1 16 8608 1 1 1 SER OG O 18.502 4.592 4.628 1.00 . A A . 45 SER OG 1 1 16 8609 1 1 2 ASP C C 16.985 5.351 -2.262 1.00 . A A . 46 ASP C 1 1 16 8610 1 1 2 ASP CA C 18.017 5.990 -1.331 1.00 . A A . 46 ASP CA 1 1 16 8611 1 1 2 ASP CB C 19.374 6.101 -2.028 1.00 . A A . 46 ASP CB 1 1 16 8612 1 1 2 ASP CG C 19.754 4.744 -2.624 1.00 . A A . 46 ASP CG 1 1 16 8613 1 1 2 ASP H H 18.440 4.156 -0.280 1.00 . A A . 46 ASP H 1 1 16 8614 1 1 2 ASP HA H 17.686 6.967 -1.013 1.00 . A A . 46 ASP HA 1 1 16 8615 1 1 2 ASP HB2 H 19.313 6.837 -2.817 1.00 . A A . 46 ASP HB2 1 1 16 8616 1 1 2 ASP HB3 H 20.124 6.400 -1.312 1.00 . A A . 46 ASP HB3 1 1 16 8617 1 1 2 ASP N N 18.260 5.111 -0.151 1.00 . A A . 46 ASP N 1 1 16 8618 1 1 2 ASP O O 16.986 5.579 -3.456 1.00 . A A . 46 ASP O 1 1 16 8619 1 1 2 ASP OD1 O 20.050 3.844 -1.856 1.00 . A A . 46 ASP OD1 1 1 16 8620 1 1 2 ASP OD2 O 19.741 4.628 -3.839 1.00 . A A . 46 ASP OD2 1 1 16 8621 1 1 3 GLY C C 13.803 3.659 -1.762 1.00 . A A . 47 GLY C 1 1 16 8622 1 1 3 GLY CA C 15.072 3.899 -2.582 1.00 . A A . 47 GLY CA 1 1 16 8623 1 1 3 GLY H H 16.119 4.382 -0.762 1.00 . A A . 47 GLY H 1 1 16 8624 1 1 3 GLY HA2 H 14.843 4.540 -3.422 1.00 . A A . 47 GLY HA2 1 1 16 8625 1 1 3 GLY HA3 H 15.448 2.953 -2.941 1.00 . A A . 47 GLY HA3 1 1 16 8626 1 1 3 GLY N N 16.102 4.552 -1.727 1.00 . A A . 47 GLY N 1 1 16 8627 1 1 3 GLY O O 12.858 4.419 -1.829 1.00 . A A . 47 GLY O 1 1 16 8628 1 1 4 ASP C C 11.353 2.154 -1.069 1.00 . A A . 48 ASP C 1 1 16 8629 1 1 4 ASP CA C 12.574 2.307 -0.173 1.00 . A A . 48 ASP CA 1 1 16 8630 1 1 4 ASP CB C 12.404 3.496 0.757 1.00 . A A . 48 ASP CB 1 1 16 8631 1 1 4 ASP CG C 13.236 3.284 2.022 1.00 . A A . 48 ASP CG 1 1 16 8632 1 1 4 ASP H H 14.538 2.002 -0.959 1.00 . A A . 48 ASP H 1 1 16 8633 1 1 4 ASP HA H 12.729 1.410 0.404 1.00 . A A . 48 ASP HA 1 1 16 8634 1 1 4 ASP HB2 H 12.730 4.393 0.255 1.00 . A A . 48 ASP HB2 1 1 16 8635 1 1 4 ASP HB3 H 11.362 3.584 1.023 1.00 . A A . 48 ASP HB3 1 1 16 8636 1 1 4 ASP N N 13.774 2.605 -0.993 1.00 . A A . 48 ASP N 1 1 16 8637 1 1 4 ASP O O 10.938 3.069 -1.752 1.00 . A A . 48 ASP O 1 1 16 8638 1 1 4 ASP OD1 O 14.449 3.219 1.905 1.00 . A A . 48 ASP OD1 1 1 16 8639 1 1 4 ASP OD2 O 12.647 3.188 3.086 1.00 . A A . 48 ASP OD2 1 1 16 8640 1 1 5 GLN C C 8.513 1.802 -1.647 1.00 . A A . 49 GLN C 1 1 16 8641 1 1 5 GLN CA C 9.582 0.736 -1.901 1.00 . A A . 49 GLN CA 1 1 16 8642 1 1 5 GLN CB C 9.086 -0.634 -1.455 1.00 . A A . 49 GLN CB 1 1 16 8643 1 1 5 GLN CD C 11.393 -1.377 -2.110 1.00 . A A . 49 GLN CD 1 1 16 8644 1 1 5 GLN CG C 9.904 -1.734 -2.140 1.00 . A A . 49 GLN CG 1 1 16 8645 1 1 5 GLN H H 11.152 0.288 -0.497 1.00 . A A . 49 GLN H 1 1 16 8646 1 1 5 GLN HA H 9.847 0.705 -2.941 1.00 . A A . 49 GLN HA 1 1 16 8647 1 1 5 GLN HB2 H 9.196 -0.719 -0.386 1.00 . A A . 49 GLN HB2 1 1 16 8648 1 1 5 GLN HB3 H 8.044 -0.745 -1.721 1.00 . A A . 49 GLN HB3 1 1 16 8649 1 1 5 GLN HE21 H 11.388 -0.608 -3.943 1.00 . A A . 49 GLN HE21 1 1 16 8650 1 1 5 GLN HE22 H 12.892 -0.573 -3.138 1.00 . A A . 49 GLN HE22 1 1 16 8651 1 1 5 GLN HG2 H 9.750 -2.667 -1.622 1.00 . A A . 49 GLN HG2 1 1 16 8652 1 1 5 GLN HG3 H 9.582 -1.834 -3.164 1.00 . A A . 49 GLN HG3 1 1 16 8653 1 1 5 GLN N N 10.783 0.995 -1.061 1.00 . A A . 49 GLN N 1 1 16 8654 1 1 5 GLN NE2 N 11.935 -0.806 -3.149 1.00 . A A . 49 GLN NE2 1 1 16 8655 1 1 5 GLN O O 7.899 2.311 -2.563 1.00 . A A . 49 GLN O 1 1 16 8656 1 1 5 GLN OE1 O 12.068 -1.622 -1.129 1.00 . A A . 49 GLN OE1 1 1 16 8657 1 1 6 CYS C C 7.834 4.579 -0.303 1.00 . A A . 50 CYS C 1 1 16 8658 1 1 6 CYS CA C 7.259 3.175 -0.093 1.00 . A A . 50 CYS CA 1 1 16 8659 1 1 6 CYS CB C 6.913 2.952 1.379 1.00 . A A . 50 CYS CB 1 1 16 8660 1 1 6 CYS H H 8.793 1.720 0.317 1.00 . A A . 50 CYS H 1 1 16 8661 1 1 6 CYS HA H 6.381 3.031 -0.704 1.00 . A A . 50 CYS HA 1 1 16 8662 1 1 6 CYS HB2 H 7.023 1.905 1.620 1.00 . A A . 50 CYS HB2 1 1 16 8663 1 1 6 CYS HB3 H 7.578 3.535 1.998 1.00 . A A . 50 CYS HB3 1 1 16 8664 1 1 6 CYS N N 8.287 2.144 -0.408 1.00 . A A . 50 CYS N 1 1 16 8665 1 1 6 CYS O O 8.117 5.291 0.639 1.00 . A A . 50 CYS O 1 1 16 8666 1 1 6 CYS SG S 5.203 3.463 1.680 1.00 . A A . 50 CYS SG 1 1 16 8667 1 1 7 ALA C C 7.436 7.313 -2.153 1.00 . A A . 51 ALA C 1 1 16 8668 1 1 7 ALA CA C 8.564 6.338 -1.801 1.00 . A A . 51 ALA CA 1 1 16 8669 1 1 7 ALA CB C 9.504 6.152 -2.992 1.00 . A A . 51 ALA CB 1 1 16 8670 1 1 7 ALA H H 7.772 4.392 -2.279 1.00 . A A . 51 ALA H 1 1 16 8671 1 1 7 ALA HA H 9.118 6.695 -0.947 1.00 . A A . 51 ALA HA 1 1 16 8672 1 1 7 ALA HB1 H 9.053 5.480 -3.706 1.00 . A A . 51 ALA HB1 1 1 16 8673 1 1 7 ALA HB2 H 9.684 7.109 -3.461 1.00 . A A . 51 ALA HB2 1 1 16 8674 1 1 7 ALA HB3 H 10.441 5.738 -2.650 1.00 . A A . 51 ALA HB3 1 1 16 8675 1 1 7 ALA N N 8.008 4.981 -1.532 1.00 . A A . 51 ALA N 1 1 16 8676 1 1 7 ALA O O 7.543 8.504 -1.938 1.00 . A A . 51 ALA O 1 1 16 8677 1 1 8 SER C C 3.933 7.237 -2.393 1.00 . A A . 52 SER C 1 1 16 8678 1 1 8 SER CA C 5.226 7.714 -3.061 1.00 . A A . 52 SER CA 1 1 16 8679 1 1 8 SER CB C 5.113 7.609 -4.581 1.00 . A A . 52 SER CB 1 1 16 8680 1 1 8 SER H H 6.292 5.851 -2.861 1.00 . A A . 52 SER H 1 1 16 8681 1 1 8 SER HA H 5.444 8.731 -2.777 1.00 . A A . 52 SER HA 1 1 16 8682 1 1 8 SER HB2 H 4.373 6.869 -4.840 1.00 . A A . 52 SER HB2 1 1 16 8683 1 1 8 SER HB3 H 4.816 8.567 -4.986 1.00 . A A . 52 SER HB3 1 1 16 8684 1 1 8 SER HG H 6.526 6.305 -4.879 1.00 . A A . 52 SER HG 1 1 16 8685 1 1 8 SER N N 6.358 6.816 -2.695 1.00 . A A . 52 SER N 1 1 16 8686 1 1 8 SER O O 2.846 7.630 -2.769 1.00 . A A . 52 SER O 1 1 16 8687 1 1 8 SER OG O 6.370 7.221 -5.119 1.00 . A A . 52 SER OG 1 1 16 8688 1 1 9 SER C C 1.983 5.035 -1.668 1.00 . A A . 53 SER C 1 1 16 8689 1 1 9 SER CA C 2.820 5.891 -0.713 1.00 . A A . 53 SER CA 1 1 16 8690 1 1 9 SER CB C 2.051 7.148 -0.307 1.00 . A A . 53 SER CB 1 1 16 8691 1 1 9 SER H H 4.927 6.087 -1.116 1.00 . A A . 53 SER H 1 1 16 8692 1 1 9 SER HA H 3.088 5.324 0.164 1.00 . A A . 53 SER HA 1 1 16 8693 1 1 9 SER HB2 H 2.722 7.990 -0.280 1.00 . A A . 53 SER HB2 1 1 16 8694 1 1 9 SER HB3 H 1.267 7.338 -1.028 1.00 . A A . 53 SER HB3 1 1 16 8695 1 1 9 SER HG H 2.179 6.628 1.564 1.00 . A A . 53 SER HG 1 1 16 8696 1 1 9 SER N N 4.042 6.392 -1.404 1.00 . A A . 53 SER N 1 1 16 8697 1 1 9 SER O O 1.125 5.540 -2.365 1.00 . A A . 53 SER O 1 1 16 8698 1 1 9 SER OG O 1.489 6.958 0.985 1.00 . A A . 53 SER OG 1 1 16 8699 1 1 10 PRO C C 0.065 2.724 -2.116 1.00 . A A . 54 PRO C 1 1 16 8700 1 1 10 PRO CA C 1.533 2.817 -2.543 1.00 . A A . 54 PRO CA 1 1 16 8701 1 1 10 PRO CB C 2.245 1.480 -2.329 1.00 . A A . 54 PRO CB 1 1 16 8702 1 1 10 PRO CD C 3.285 3.092 -0.854 1.00 . A A . 54 PRO CD 1 1 16 8703 1 1 10 PRO CG C 2.996 1.627 -1.042 1.00 . A A . 54 PRO CG 1 1 16 8704 1 1 10 PRO HA H 1.611 3.116 -3.576 1.00 . A A . 54 PRO HA 1 1 16 8705 1 1 10 PRO HB2 H 1.521 0.679 -2.253 1.00 . A A . 54 PRO HB2 1 1 16 8706 1 1 10 PRO HB3 H 2.935 1.290 -3.138 1.00 . A A . 54 PRO HB3 1 1 16 8707 1 1 10 PRO HD2 H 3.185 3.367 0.187 1.00 . A A . 54 PRO HD2 1 1 16 8708 1 1 10 PRO HD3 H 4.271 3.335 -1.220 1.00 . A A . 54 PRO HD3 1 1 16 8709 1 1 10 PRO HG2 H 2.393 1.261 -0.222 1.00 . A A . 54 PRO HG2 1 1 16 8710 1 1 10 PRO HG3 H 3.923 1.078 -1.091 1.00 . A A . 54 PRO HG3 1 1 16 8711 1 1 10 PRO N N 2.266 3.762 -1.666 1.00 . A A . 54 PRO N 1 1 16 8712 1 1 10 PRO O O -0.834 2.997 -2.885 1.00 . A A . 54 PRO O 1 1 16 8713 1 1 11 CYS C C -2.294 3.587 -0.524 1.00 . A A . 55 CYS C 1 1 16 8714 1 1 11 CYS CA C -1.590 2.231 -0.414 1.00 . A A . 55 CYS CA 1 1 16 8715 1 1 11 CYS CB C -1.473 1.804 1.049 1.00 . A A . 55 CYS CB 1 1 16 8716 1 1 11 CYS H H 0.560 2.126 -0.289 1.00 . A A . 55 CYS H 1 1 16 8717 1 1 11 CYS HA H -2.123 1.481 -0.976 1.00 . A A . 55 CYS HA 1 1 16 8718 1 1 11 CYS HB2 H -0.500 1.369 1.220 1.00 . A A . 55 CYS HB2 1 1 16 8719 1 1 11 CYS HB3 H -1.599 2.669 1.685 1.00 . A A . 55 CYS HB3 1 1 16 8720 1 1 11 CYS N N -0.182 2.341 -0.893 1.00 . A A . 55 CYS N 1 1 16 8721 1 1 11 CYS O O -1.683 4.629 -0.393 1.00 . A A . 55 CYS O 1 1 16 8722 1 1 11 CYS SG S -2.754 0.586 1.438 1.00 . A A . 55 CYS SG 1 1 16 8723 1 1 12 GLN C C -5.660 4.760 -0.140 1.00 . A A . 56 GLN C 1 1 16 8724 1 1 12 GLN CA C -4.328 4.858 -0.882 1.00 . A A . 56 GLN CA 1 1 16 8725 1 1 12 GLN CB C -4.576 5.035 -2.380 1.00 . A A . 56 GLN CB 1 1 16 8726 1 1 12 GLN CD C -3.452 5.116 -4.609 1.00 . A A . 56 GLN CD 1 1 16 8727 1 1 12 GLN CG C -3.240 5.211 -3.097 1.00 . A A . 56 GLN CG 1 1 16 8728 1 1 12 GLN H H -4.044 2.730 -0.864 1.00 . A A . 56 GLN H 1 1 16 8729 1 1 12 GLN HA H -3.742 5.677 -0.505 1.00 . A A . 56 GLN HA 1 1 16 8730 1 1 12 GLN HB2 H -5.083 4.162 -2.767 1.00 . A A . 56 GLN HB2 1 1 16 8731 1 1 12 GLN HB3 H -5.190 5.909 -2.544 1.00 . A A . 56 GLN HB3 1 1 16 8732 1 1 12 GLN HE21 H -3.772 3.154 -4.579 1.00 . A A . 56 GLN HE21 1 1 16 8733 1 1 12 GLN HE22 H -3.853 3.886 -6.119 1.00 . A A . 56 GLN HE22 1 1 16 8734 1 1 12 GLN HG2 H -2.824 6.177 -2.850 1.00 . A A . 56 GLN HG2 1 1 16 8735 1 1 12 GLN HG3 H -2.559 4.433 -2.780 1.00 . A A . 56 GLN HG3 1 1 16 8736 1 1 12 GLN N N -3.576 3.578 -0.763 1.00 . A A . 56 GLN N 1 1 16 8737 1 1 12 GLN NE2 N -3.715 3.956 -5.146 1.00 . A A . 56 GLN NE2 1 1 16 8738 1 1 12 GLN O O -5.998 3.737 0.422 1.00 . A A . 56 GLN O 1 1 16 8739 1 1 12 GLN OE1 O -3.380 6.107 -5.307 1.00 . A A . 56 GLN OE1 1 1 16 8740 1 1 13 ASN C C -7.557 5.474 2.032 1.00 . A A . 57 ASN C 1 1 16 8741 1 1 13 ASN CA C -7.746 5.781 0.545 1.00 . A A . 57 ASN CA 1 1 16 8742 1 1 13 ASN CB C -8.535 4.657 -0.139 1.00 . A A . 57 ASN CB 1 1 16 8743 1 1 13 ASN CG C -8.212 4.626 -1.637 1.00 . A A . 57 ASN CG 1 1 16 8744 1 1 13 ASN H H -6.137 6.625 -0.617 1.00 . A A . 57 ASN H 1 1 16 8745 1 1 13 ASN HA H -8.260 6.721 0.418 1.00 . A A . 57 ASN HA 1 1 16 8746 1 1 13 ASN HB2 H -8.267 3.709 0.306 1.00 . A A . 57 ASN HB2 1 1 16 8747 1 1 13 ASN HB3 H -9.592 4.829 -0.005 1.00 . A A . 57 ASN HB3 1 1 16 8748 1 1 13 ASN HD21 H -9.818 5.671 -2.154 1.00 . A A . 57 ASN HD21 1 1 16 8749 1 1 13 ASN HD22 H -8.797 5.205 -3.441 1.00 . A A . 57 ASN HD22 1 1 16 8750 1 1 13 ASN N N -6.426 5.814 -0.147 1.00 . A A . 57 ASN N 1 1 16 8751 1 1 13 ASN ND2 N -9.010 5.213 -2.480 1.00 . A A . 57 ASN ND2 1 1 16 8752 1 1 13 ASN O O -8.313 4.730 2.623 1.00 . A A . 57 ASN O 1 1 16 8753 1 1 13 ASN OD1 O -7.220 4.056 -2.044 1.00 . A A . 57 ASN OD1 1 1 16 8754 1 1 14 GLY C C -5.674 4.415 4.275 1.00 . A A . 58 GLY C 1 1 16 8755 1 1 14 GLY CA C -6.319 5.790 4.089 1.00 . A A . 58 GLY CA 1 1 16 8756 1 1 14 GLY H H -5.960 6.645 2.145 1.00 . A A . 58 GLY H 1 1 16 8757 1 1 14 GLY HA2 H -5.664 6.553 4.486 1.00 . A A . 58 GLY HA2 1 1 16 8758 1 1 14 GLY HA3 H -7.261 5.816 4.617 1.00 . A A . 58 GLY HA3 1 1 16 8759 1 1 14 GLY N N -6.556 6.045 2.640 1.00 . A A . 58 GLY N 1 1 16 8760 1 1 14 GLY O O -5.587 3.904 5.374 1.00 . A A . 58 GLY O 1 1 16 8761 1 1 15 GLY C C -3.134 2.643 3.815 1.00 . A A . 59 GLY C 1 1 16 8762 1 1 15 GLY CA C -4.579 2.471 3.339 1.00 . A A . 59 GLY CA 1 1 16 8763 1 1 15 GLY H H -5.293 4.237 2.332 1.00 . A A . 59 GLY H 1 1 16 8764 1 1 15 GLY HA2 H -5.129 1.877 4.056 1.00 . A A . 59 GLY HA2 1 1 16 8765 1 1 15 GLY HA3 H -4.584 1.976 2.378 1.00 . A A . 59 GLY HA3 1 1 16 8766 1 1 15 GLY N N -5.218 3.811 3.211 1.00 . A A . 59 GLY N 1 1 16 8767 1 1 15 GLY O O -2.461 3.588 3.452 1.00 . A A . 59 GLY O 1 1 16 8768 1 1 16 SER C C -0.267 1.277 4.122 1.00 . A A . 60 SER C 1 1 16 8769 1 1 16 SER CA C -1.254 1.864 5.134 1.00 . A A . 60 SER CA 1 1 16 8770 1 1 16 SER CB C -1.232 1.060 6.432 1.00 . A A . 60 SER CB 1 1 16 8771 1 1 16 SER H H -3.214 0.992 4.914 1.00 . A A . 60 SER H 1 1 16 8772 1 1 16 SER HA H -1.016 2.896 5.338 1.00 . A A . 60 SER HA 1 1 16 8773 1 1 16 SER HB2 H -1.988 1.433 7.103 1.00 . A A . 60 SER HB2 1 1 16 8774 1 1 16 SER HB3 H -1.432 0.018 6.212 1.00 . A A . 60 SER HB3 1 1 16 8775 1 1 16 SER HG H 0.244 2.128 7.113 1.00 . A A . 60 SER HG 1 1 16 8776 1 1 16 SER N N -2.654 1.744 4.630 1.00 . A A . 60 SER N 1 1 16 8777 1 1 16 SER O O -0.647 0.616 3.178 1.00 . A A . 60 SER O 1 1 16 8778 1 1 16 SER OG O 0.043 1.192 7.045 1.00 . A A . 60 SER OG 1 1 16 8779 1 1 17 CYS C C 3.049 0.137 4.133 1.00 . A A . 61 CYS C 1 1 16 8780 1 1 17 CYS CA C 2.016 0.969 3.366 1.00 . A A . 61 CYS CA 1 1 16 8781 1 1 17 CYS CB C 2.669 2.204 2.742 1.00 . A A . 61 CYS CB 1 1 16 8782 1 1 17 CYS H H 1.287 2.049 5.083 1.00 . A A . 61 CYS H 1 1 16 8783 1 1 17 CYS HA H 1.540 0.375 2.603 1.00 . A A . 61 CYS HA 1 1 16 8784 1 1 17 CYS HB2 H 1.988 2.651 2.033 1.00 . A A . 61 CYS HB2 1 1 16 8785 1 1 17 CYS HB3 H 2.900 2.920 3.518 1.00 . A A . 61 CYS HB3 1 1 16 8786 1 1 17 CYS N N 1.001 1.514 4.314 1.00 . A A . 61 CYS N 1 1 16 8787 1 1 17 CYS O O 3.602 0.578 5.119 1.00 . A A . 61 CYS O 1 1 16 8788 1 1 17 CYS SG S 4.194 1.725 1.892 1.00 . A A . 61 CYS SG 1 1 16 8789 1 1 18 LYS C C 5.540 -2.133 3.532 1.00 . A A . 62 LYS C 1 1 16 8790 1 1 18 LYS CA C 4.305 -1.912 4.405 1.00 . A A . 62 LYS CA 1 1 16 8791 1 1 18 LYS CB C 3.583 -3.233 4.655 1.00 . A A . 62 LYS CB 1 1 16 8792 1 1 18 LYS CD C 3.281 -4.355 6.861 1.00 . A A . 62 LYS CD 1 1 16 8793 1 1 18 LYS CE C 3.875 -5.424 7.783 1.00 . A A . 62 LYS CE 1 1 16 8794 1 1 18 LYS CG C 4.291 -4.003 5.770 1.00 . A A . 62 LYS CG 1 1 16 8795 1 1 18 LYS H H 2.855 -1.410 2.892 1.00 . A A . 62 LYS H 1 1 16 8796 1 1 18 LYS HA H 4.581 -1.460 5.345 1.00 . A A . 62 LYS HA 1 1 16 8797 1 1 18 LYS HB2 H 2.562 -3.035 4.946 1.00 . A A . 62 LYS HB2 1 1 16 8798 1 1 18 LYS HB3 H 3.592 -3.821 3.753 1.00 . A A . 62 LYS HB3 1 1 16 8799 1 1 18 LYS HD2 H 3.050 -3.470 7.435 1.00 . A A . 62 LYS HD2 1 1 16 8800 1 1 18 LYS HD3 H 2.379 -4.735 6.406 1.00 . A A . 62 LYS HD3 1 1 16 8801 1 1 18 LYS HE2 H 4.888 -5.653 7.486 1.00 . A A . 62 LYS HE2 1 1 16 8802 1 1 18 LYS HE3 H 3.847 -5.092 8.810 1.00 . A A . 62 LYS HE3 1 1 16 8803 1 1 18 LYS HG2 H 4.720 -4.908 5.366 1.00 . A A . 62 LYS HG2 1 1 16 8804 1 1 18 LYS HG3 H 5.074 -3.389 6.191 1.00 . A A . 62 LYS HG3 1 1 16 8805 1 1 18 LYS HZ1 H 2.861 -6.798 6.593 1.00 . A A . 62 LYS HZ1 1 1 16 8806 1 1 18 LYS HZ2 H 3.439 -7.441 8.052 1.00 . A A . 62 LYS HZ2 1 1 16 8807 1 1 18 LYS HZ3 H 2.073 -6.432 8.054 1.00 . A A . 62 LYS HZ3 1 1 16 8808 1 1 18 LYS N N 3.312 -1.064 3.691 1.00 . A A . 62 LYS N 1 1 16 8809 1 1 18 LYS NZ N 2.996 -6.613 7.607 1.00 . A A . 62 LYS NZ 1 1 16 8810 1 1 18 LYS O O 5.445 -2.267 2.329 1.00 . A A . 62 LYS O 1 1 16 8811 1 1 19 ASP C C 8.552 -3.747 3.667 1.00 . A A . 63 ASP C 1 1 16 8812 1 1 19 ASP CA C 7.939 -2.387 3.330 1.00 . A A . 63 ASP CA 1 1 16 8813 1 1 19 ASP CB C 8.879 -1.256 3.749 1.00 . A A . 63 ASP CB 1 1 16 8814 1 1 19 ASP CG C 8.798 -0.120 2.728 1.00 . A A . 63 ASP CG 1 1 16 8815 1 1 19 ASP H H 6.753 -2.064 5.101 1.00 . A A . 63 ASP H 1 1 16 8816 1 1 19 ASP HA H 7.726 -2.318 2.275 1.00 . A A . 63 ASP HA 1 1 16 8817 1 1 19 ASP HB2 H 8.588 -0.888 4.723 1.00 . A A . 63 ASP HB2 1 1 16 8818 1 1 19 ASP HB3 H 9.893 -1.627 3.792 1.00 . A A . 63 ASP HB3 1 1 16 8819 1 1 19 ASP N N 6.698 -2.173 4.128 1.00 . A A . 63 ASP N 1 1 16 8820 1 1 19 ASP O O 8.955 -3.998 4.785 1.00 . A A . 63 ASP O 1 1 16 8821 1 1 19 ASP OD1 O 8.387 -0.383 1.611 1.00 . A A . 63 ASP OD1 1 1 16 8822 1 1 19 ASP OD2 O 9.149 0.994 3.081 1.00 . A A . 63 ASP OD2 1 1 16 8823 1 1 20 GLN C C 10.311 -6.291 1.949 1.00 . A A . 64 GLN C 1 1 16 8824 1 1 20 GLN CA C 9.221 -5.974 2.977 1.00 . A A . 64 GLN CA 1 1 16 8825 1 1 20 GLN CB C 8.076 -7.009 2.896 1.00 . A A . 64 GLN CB 1 1 16 8826 1 1 20 GLN CD C 5.741 -7.388 2.076 1.00 . A A . 64 GLN CD 1 1 16 8827 1 1 20 GLN CG C 6.719 -6.342 2.615 1.00 . A A . 64 GLN CG 1 1 16 8828 1 1 20 GLN H H 8.300 -4.406 1.809 1.00 . A A . 64 GLN H 1 1 16 8829 1 1 20 GLN HA H 9.646 -5.988 3.970 1.00 . A A . 64 GLN HA 1 1 16 8830 1 1 20 GLN HB2 H 8.292 -7.710 2.105 1.00 . A A . 64 GLN HB2 1 1 16 8831 1 1 20 GLN HB3 H 8.018 -7.543 3.832 1.00 . A A . 64 GLN HB3 1 1 16 8832 1 1 20 GLN HE21 H 5.067 -7.886 3.878 1.00 . A A . 64 GLN HE21 1 1 16 8833 1 1 20 GLN HE22 H 4.364 -8.732 2.574 1.00 . A A . 64 GLN HE22 1 1 16 8834 1 1 20 GLN HG2 H 6.327 -5.923 3.529 1.00 . A A . 64 GLN HG2 1 1 16 8835 1 1 20 GLN HG3 H 6.839 -5.559 1.885 1.00 . A A . 64 GLN HG3 1 1 16 8836 1 1 20 GLN N N 8.627 -4.629 2.708 1.00 . A A . 64 GLN N 1 1 16 8837 1 1 20 GLN NE2 N 4.996 -8.058 2.912 1.00 . A A . 64 GLN NE2 1 1 16 8838 1 1 20 GLN O O 10.327 -5.762 0.855 1.00 . A A . 64 GLN O 1 1 16 8839 1 1 20 GLN OE1 O 5.655 -7.598 0.882 1.00 . A A . 64 GLN OE1 1 1 16 8840 1 1 21 LEU C C 11.820 -7.727 -0.050 1.00 . A A . 65 LEU C 1 1 16 8841 1 1 21 LEU CA C 12.340 -7.506 1.370 1.00 . A A . 65 LEU CA 1 1 16 8842 1 1 21 LEU CB C 12.921 -8.804 1.933 1.00 . A A . 65 LEU CB 1 1 16 8843 1 1 21 LEU CD1 C 13.971 -7.395 3.709 1.00 . A A . 65 LEU CD1 1 1 16 8844 1 1 21 LEU CD2 C 14.703 -9.762 3.397 1.00 . A A . 65 LEU CD2 1 1 16 8845 1 1 21 LEU CG C 14.220 -8.499 2.681 1.00 . A A . 65 LEU CG 1 1 16 8846 1 1 21 LEU H H 11.199 -7.553 3.197 1.00 . A A . 65 LEU H 1 1 16 8847 1 1 21 LEU HA H 13.092 -6.744 1.371 1.00 . A A . 65 LEU HA 1 1 16 8848 1 1 21 LEU HB2 H 12.211 -9.251 2.612 1.00 . A A . 65 LEU HB2 1 1 16 8849 1 1 21 LEU HB3 H 13.127 -9.488 1.123 1.00 . A A . 65 LEU HB3 1 1 16 8850 1 1 21 LEU HD11 H 13.439 -6.580 3.241 1.00 . A A . 65 LEU HD11 1 1 16 8851 1 1 21 LEU HD12 H 13.383 -7.788 4.524 1.00 . A A . 65 LEU HD12 1 1 16 8852 1 1 21 LEU HD13 H 14.917 -7.036 4.089 1.00 . A A . 65 LEU HD13 1 1 16 8853 1 1 21 LEU HD21 H 13.859 -10.404 3.603 1.00 . A A . 65 LEU HD21 1 1 16 8854 1 1 21 LEU HD22 H 15.409 -10.285 2.768 1.00 . A A . 65 LEU HD22 1 1 16 8855 1 1 21 LEU HD23 H 15.183 -9.488 4.325 1.00 . A A . 65 LEU HD23 1 1 16 8856 1 1 21 LEU HG H 14.973 -8.172 1.977 1.00 . A A . 65 LEU HG 1 1 16 8857 1 1 21 LEU N N 11.232 -7.148 2.304 1.00 . A A . 65 LEU N 1 1 16 8858 1 1 21 LEU O O 11.825 -6.831 -0.872 1.00 . A A . 65 LEU O 1 1 16 8859 1 1 22 GLN C C 10.129 -8.054 -2.308 1.00 . A A . 66 GLN C 1 1 16 8860 1 1 22 GLN CA C 10.877 -9.246 -1.705 1.00 . A A . 66 GLN CA 1 1 16 8861 1 1 22 GLN CB C 9.923 -10.423 -1.496 1.00 . A A . 66 GLN CB 1 1 16 8862 1 1 22 GLN CD C 9.937 -12.873 -1.005 1.00 . A A . 66 GLN CD 1 1 16 8863 1 1 22 GLN CG C 10.652 -11.545 -0.754 1.00 . A A . 66 GLN CG 1 1 16 8864 1 1 22 GLN H H 11.417 -9.614 0.349 1.00 . A A . 66 GLN H 1 1 16 8865 1 1 22 GLN HA H 11.688 -9.544 -2.349 1.00 . A A . 66 GLN HA 1 1 16 8866 1 1 22 GLN HB2 H 9.073 -10.098 -0.914 1.00 . A A . 66 GLN HB2 1 1 16 8867 1 1 22 GLN HB3 H 9.587 -10.788 -2.454 1.00 . A A . 66 GLN HB3 1 1 16 8868 1 1 22 GLN HE21 H 11.348 -13.962 -0.132 1.00 . A A . 66 GLN HE21 1 1 16 8869 1 1 22 GLN HE22 H 10.036 -14.840 -0.753 1.00 . A A . 66 GLN HE22 1 1 16 8870 1 1 22 GLN HG2 H 11.670 -11.610 -1.110 1.00 . A A . 66 GLN HG2 1 1 16 8871 1 1 22 GLN HG3 H 10.654 -11.335 0.305 1.00 . A A . 66 GLN HG3 1 1 16 8872 1 1 22 GLN N N 11.390 -8.921 -0.338 1.00 . A A . 66 GLN N 1 1 16 8873 1 1 22 GLN NE2 N 10.486 -13.984 -0.596 1.00 . A A . 66 GLN NE2 1 1 16 8874 1 1 22 GLN O O 10.109 -7.866 -3.508 1.00 . A A . 66 GLN O 1 1 16 8875 1 1 22 GLN OE1 O 8.868 -12.901 -1.582 1.00 . A A . 66 GLN OE1 1 1 16 8876 1 1 23 SER C C 7.954 -5.424 -0.898 1.00 . A A . 67 SER C 1 1 16 8877 1 1 23 SER CA C 8.771 -6.070 -2.018 1.00 . A A . 67 SER CA 1 1 16 8878 1 1 23 SER CB C 7.849 -6.633 -3.101 1.00 . A A . 67 SER CB 1 1 16 8879 1 1 23 SER H H 9.543 -7.417 -0.522 1.00 . A A . 67 SER H 1 1 16 8880 1 1 23 SER HA H 9.453 -5.355 -2.449 1.00 . A A . 67 SER HA 1 1 16 8881 1 1 23 SER HB2 H 8.220 -6.353 -4.073 1.00 . A A . 67 SER HB2 1 1 16 8882 1 1 23 SER HB3 H 7.825 -7.713 -3.025 1.00 . A A . 67 SER HB3 1 1 16 8883 1 1 23 SER HG H 5.914 -6.827 -3.017 1.00 . A A . 67 SER HG 1 1 16 8884 1 1 23 SER N N 9.515 -7.248 -1.488 1.00 . A A . 67 SER N 1 1 16 8885 1 1 23 SER O O 8.074 -5.788 0.252 1.00 . A A . 67 SER O 1 1 16 8886 1 1 23 SER OG O 6.541 -6.104 -2.931 1.00 . A A . 67 SER OG 1 1 16 8887 1 1 24 TYR C C 4.828 -4.202 -0.348 1.00 . A A . 68 TYR C 1 1 16 8888 1 1 24 TYR CA C 6.297 -3.806 -0.180 1.00 . A A . 68 TYR CA 1 1 16 8889 1 1 24 TYR CB C 6.488 -2.309 -0.423 1.00 . A A . 68 TYR CB 1 1 16 8890 1 1 24 TYR CD1 C 6.534 -2.052 -2.932 1.00 . A A . 68 TYR CD1 1 1 16 8891 1 1 24 TYR CD2 C 4.523 -1.426 -1.731 1.00 . A A . 68 TYR CD2 1 1 16 8892 1 1 24 TYR CE1 C 5.925 -1.691 -4.140 1.00 . A A . 68 TYR CE1 1 1 16 8893 1 1 24 TYR CE2 C 3.914 -1.065 -2.939 1.00 . A A . 68 TYR CE2 1 1 16 8894 1 1 24 TYR CG C 5.832 -1.920 -1.727 1.00 . A A . 68 TYR CG 1 1 16 8895 1 1 24 TYR CZ C 4.616 -1.198 -4.144 1.00 . A A . 68 TYR CZ 1 1 16 8896 1 1 24 TYR H H 7.043 -4.198 -2.164 1.00 . A A . 68 TYR H 1 1 16 8897 1 1 24 TYR HA H 6.650 -4.067 0.804 1.00 . A A . 68 TYR HA 1 1 16 8898 1 1 24 TYR HB2 H 6.038 -1.752 0.387 1.00 . A A . 68 TYR HB2 1 1 16 8899 1 1 24 TYR HB3 H 7.545 -2.088 -0.470 1.00 . A A . 68 TYR HB3 1 1 16 8900 1 1 24 TYR HD1 H 7.545 -2.433 -2.929 1.00 . A A . 68 TYR HD1 1 1 16 8901 1 1 24 TYR HD2 H 3.981 -1.322 -0.802 1.00 . A A . 68 TYR HD2 1 1 16 8902 1 1 24 TYR HE1 H 6.466 -1.793 -5.069 1.00 . A A . 68 TYR HE1 1 1 16 8903 1 1 24 TYR HE2 H 2.904 -0.684 -2.942 1.00 . A A . 68 TYR HE2 1 1 16 8904 1 1 24 TYR HH H 3.071 -0.988 -5.246 1.00 . A A . 68 TYR HH 1 1 16 8905 1 1 24 TYR N N 7.124 -4.472 -1.227 1.00 . A A . 68 TYR N 1 1 16 8906 1 1 24 TYR O O 4.382 -4.515 -1.434 1.00 . A A . 68 TYR O 1 1 16 8907 1 1 24 TYR OH O 4.015 -0.842 -5.334 1.00 . A A . 68 TYR OH 1 1 16 8908 1 1 25 ILE C C 1.751 -3.626 1.379 1.00 . A A . 69 ILE C 1 1 16 8909 1 1 25 ILE CA C 2.643 -4.600 0.605 1.00 . A A . 69 ILE CA 1 1 16 8910 1 1 25 ILE CB C 2.587 -5.990 1.223 1.00 . A A . 69 ILE CB 1 1 16 8911 1 1 25 ILE CD1 C 1.204 -8.035 1.371 1.00 . A A . 69 ILE CD1 1 1 16 8912 1 1 25 ILE CG1 C 1.166 -6.531 1.136 1.00 . A A . 69 ILE CG1 1 1 16 8913 1 1 25 ILE CG2 C 3.010 -5.919 2.689 1.00 . A A . 69 ILE CG2 1 1 16 8914 1 1 25 ILE H H 4.444 -3.964 1.590 1.00 . A A . 69 ILE H 1 1 16 8915 1 1 25 ILE HA H 2.343 -4.649 -0.428 1.00 . A A . 69 ILE HA 1 1 16 8916 1 1 25 ILE HB H 3.257 -6.648 0.688 1.00 . A A . 69 ILE HB 1 1 16 8917 1 1 25 ILE HD11 H 2.207 -8.321 1.653 1.00 . A A . 69 ILE HD11 1 1 16 8918 1 1 25 ILE HD12 H 0.518 -8.294 2.162 1.00 . A A . 69 ILE HD12 1 1 16 8919 1 1 25 ILE HD13 H 0.924 -8.548 0.464 1.00 . A A . 69 ILE HD13 1 1 16 8920 1 1 25 ILE HG12 H 0.553 -6.060 1.890 1.00 . A A . 69 ILE HG12 1 1 16 8921 1 1 25 ILE HG13 H 0.759 -6.330 0.157 1.00 . A A . 69 ILE HG13 1 1 16 8922 1 1 25 ILE HG21 H 3.954 -5.400 2.765 1.00 . A A . 69 ILE HG21 1 1 16 8923 1 1 25 ILE HG22 H 2.259 -5.389 3.254 1.00 . A A . 69 ILE HG22 1 1 16 8924 1 1 25 ILE HG23 H 3.118 -6.919 3.082 1.00 . A A . 69 ILE HG23 1 1 16 8925 1 1 25 ILE N N 4.072 -4.207 0.718 1.00 . A A . 69 ILE N 1 1 16 8926 1 1 25 ILE O O 1.890 -3.449 2.573 1.00 . A A . 69 ILE O 1 1 16 8927 1 1 26 CYS C C -1.194 -2.779 2.098 1.00 . A A . 70 CYS C 1 1 16 8928 1 1 26 CYS CA C -0.070 -2.029 1.373 1.00 . A A . 70 CYS CA 1 1 16 8929 1 1 26 CYS CB C -0.582 -1.166 0.212 1.00 . A A . 70 CYS CB 1 1 16 8930 1 1 26 CYS H H 0.748 -3.146 -0.258 1.00 . A A . 70 CYS H 1 1 16 8931 1 1 26 CYS HA H 0.482 -1.418 2.060 1.00 . A A . 70 CYS HA 1 1 16 8932 1 1 26 CYS HB2 H -0.130 -0.193 0.269 1.00 . A A . 70 CYS HB2 1 1 16 8933 1 1 26 CYS HB3 H -0.278 -1.632 -0.700 1.00 . A A . 70 CYS HB3 1 1 16 8934 1 1 26 CYS N N 0.837 -2.992 0.702 1.00 . A A . 70 CYS N 1 1 16 8935 1 1 26 CYS O O -1.363 -3.973 1.951 1.00 . A A . 70 CYS O 1 1 16 8936 1 1 26 CYS SG S -2.390 -0.983 0.219 1.00 . A A . 70 CYS SG 1 1 16 8937 1 1 27 PHE C C -4.230 -1.700 3.776 1.00 . A A . 71 PHE C 1 1 16 8938 1 1 27 PHE CA C -3.086 -2.707 3.617 1.00 . A A . 71 PHE CA 1 1 16 8939 1 1 27 PHE CB C -2.502 -3.078 4.980 1.00 . A A . 71 PHE CB 1 1 16 8940 1 1 27 PHE CD1 C -2.465 -5.581 4.682 1.00 . A A . 71 PHE CD1 1 1 16 8941 1 1 27 PHE CD2 C -0.361 -4.407 4.951 1.00 . A A . 71 PHE CD2 1 1 16 8942 1 1 27 PHE CE1 C -1.775 -6.794 4.578 1.00 . A A . 71 PHE CE1 1 1 16 8943 1 1 27 PHE CE2 C 0.329 -5.621 4.847 1.00 . A A . 71 PHE CE2 1 1 16 8944 1 1 27 PHE CG C -1.758 -4.387 4.868 1.00 . A A . 71 PHE CG 1 1 16 8945 1 1 27 PHE CZ C -0.378 -6.815 4.661 1.00 . A A . 71 PHE CZ 1 1 16 8946 1 1 27 PHE H H -1.797 -1.114 2.962 1.00 . A A . 71 PHE H 1 1 16 8947 1 1 27 PHE HA H -3.427 -3.592 3.105 1.00 . A A . 71 PHE HA 1 1 16 8948 1 1 27 PHE HB2 H -1.821 -2.303 5.304 1.00 . A A . 71 PHE HB2 1 1 16 8949 1 1 27 PHE HB3 H -3.303 -3.181 5.700 1.00 . A A . 71 PHE HB3 1 1 16 8950 1 1 27 PHE HD1 H -3.544 -5.565 4.619 1.00 . A A . 71 PHE HD1 1 1 16 8951 1 1 27 PHE HD2 H 0.185 -3.487 5.095 1.00 . A A . 71 PHE HD2 1 1 16 8952 1 1 27 PHE HE1 H -2.322 -7.715 4.435 1.00 . A A . 71 PHE HE1 1 1 16 8953 1 1 27 PHE HE2 H 1.408 -5.637 4.910 1.00 . A A . 71 PHE HE2 1 1 16 8954 1 1 27 PHE HZ H 0.154 -7.751 4.580 1.00 . A A . 71 PHE HZ 1 1 16 8955 1 1 27 PHE N N -1.961 -2.071 2.872 1.00 . A A . 71 PHE N 1 1 16 8956 1 1 27 PHE O O -4.209 -0.853 4.645 1.00 . A A . 71 PHE O 1 1 16 8957 1 1 28 CYS C C -7.264 -1.151 4.209 1.00 . A A . 72 CYS C 1 1 16 8958 1 1 28 CYS CA C -6.360 -0.821 3.020 1.00 . A A . 72 CYS CA 1 1 16 8959 1 1 28 CYS CB C -7.128 -1.000 1.713 1.00 . A A . 72 CYS CB 1 1 16 8960 1 1 28 CYS H H -5.214 -2.465 2.231 1.00 . A A . 72 CYS H 1 1 16 8961 1 1 28 CYS HA H -5.995 0.191 3.094 1.00 . A A . 72 CYS HA 1 1 16 8962 1 1 28 CYS HB2 H -7.621 -1.959 1.717 1.00 . A A . 72 CYS HB2 1 1 16 8963 1 1 28 CYS HB3 H -7.863 -0.213 1.616 1.00 . A A . 72 CYS HB3 1 1 16 8964 1 1 28 CYS N N -5.221 -1.780 2.931 1.00 . A A . 72 CYS N 1 1 16 8965 1 1 28 CYS O O -6.876 -1.841 5.131 1.00 . A A . 72 CYS O 1 1 16 8966 1 1 28 CYS SG S -5.978 -0.924 0.321 1.00 . A A . 72 CYS SG 1 1 16 8967 1 1 29 LEU C C -10.640 -1.692 4.765 1.00 . A A . 73 LEU C 1 1 16 8968 1 1 29 LEU CA C -9.422 -0.932 5.301 1.00 . A A . 73 LEU CA 1 1 16 8969 1 1 29 LEU CB C -9.836 0.450 5.821 1.00 . A A . 73 LEU CB 1 1 16 8970 1 1 29 LEU CD1 C -8.655 2.319 4.649 1.00 . A A . 73 LEU CD1 1 1 16 8971 1 1 29 LEU CD2 C -8.645 2.207 7.145 1.00 . A A . 73 LEU CD2 1 1 16 8972 1 1 29 LEU CG C -8.619 1.380 5.857 1.00 . A A . 73 LEU CG 1 1 16 8973 1 1 29 LEU H H -8.758 -0.106 3.427 1.00 . A A . 73 LEU H 1 1 16 8974 1 1 29 LEU HA H -8.937 -1.494 6.083 1.00 . A A . 73 LEU HA 1 1 16 8975 1 1 29 LEU HB2 H -10.590 0.867 5.169 1.00 . A A . 73 LEU HB2 1 1 16 8976 1 1 29 LEU HB3 H -10.239 0.352 6.817 1.00 . A A . 73 LEU HB3 1 1 16 8977 1 1 29 LEU HD11 H -8.772 1.741 3.744 1.00 . A A . 73 LEU HD11 1 1 16 8978 1 1 29 LEU HD12 H -9.485 3.004 4.749 1.00 . A A . 73 LEU HD12 1 1 16 8979 1 1 29 LEU HD13 H -7.732 2.879 4.600 1.00 . A A . 73 LEU HD13 1 1 16 8980 1 1 29 LEU HD21 H -9.599 2.706 7.234 1.00 . A A . 73 LEU HD21 1 1 16 8981 1 1 29 LEU HD22 H -8.497 1.558 7.995 1.00 . A A . 73 LEU HD22 1 1 16 8982 1 1 29 LEU HD23 H -7.856 2.946 7.115 1.00 . A A . 73 LEU HD23 1 1 16 8983 1 1 29 LEU HG H -7.713 0.787 5.824 1.00 . A A . 73 LEU HG 1 1 16 8984 1 1 29 LEU N N -8.473 -0.659 4.185 1.00 . A A . 73 LEU N 1 1 16 8985 1 1 29 LEU O O -10.682 -2.051 3.605 1.00 . A A . 73 LEU O 1 1 16 8986 1 1 30 PRO C C -13.569 -1.876 4.135 1.00 . A A . 74 PRO C 1 1 16 8987 1 1 30 PRO CA C -12.824 -2.645 5.231 1.00 . A A . 74 PRO CA 1 1 16 8988 1 1 30 PRO CB C -13.656 -2.707 6.514 1.00 . A A . 74 PRO CB 1 1 16 8989 1 1 30 PRO CD C -11.619 -1.521 7.039 1.00 . A A . 74 PRO CD 1 1 16 8990 1 1 30 PRO CG C -12.711 -2.371 7.626 1.00 . A A . 74 PRO CG 1 1 16 8991 1 1 30 PRO HA H -12.583 -3.640 4.898 1.00 . A A . 74 PRO HA 1 1 16 8992 1 1 30 PRO HB2 H -14.460 -1.983 6.472 1.00 . A A . 74 PRO HB2 1 1 16 8993 1 1 30 PRO HB3 H -14.053 -3.701 6.655 1.00 . A A . 74 PRO HB3 1 1 16 8994 1 1 30 PRO HD2 H -11.864 -0.472 7.139 1.00 . A A . 74 PRO HD2 1 1 16 8995 1 1 30 PRO HD3 H -10.672 -1.741 7.505 1.00 . A A . 74 PRO HD3 1 1 16 8996 1 1 30 PRO HG2 H -13.233 -1.823 8.399 1.00 . A A . 74 PRO HG2 1 1 16 8997 1 1 30 PRO HG3 H -12.288 -3.274 8.035 1.00 . A A . 74 PRO HG3 1 1 16 8998 1 1 30 PRO N N -11.594 -1.916 5.630 1.00 . A A . 74 PRO N 1 1 16 8999 1 1 30 PRO O O -14.485 -2.385 3.521 1.00 . A A . 74 PRO O 1 1 16 9000 1 1 31 ALA C C -13.226 -0.119 1.466 1.00 . A A . 75 ALA C 1 1 16 9001 1 1 31 ALA CA C -13.867 0.146 2.832 1.00 . A A . 75 ALA CA 1 1 16 9002 1 1 31 ALA CB C -13.662 1.602 3.247 1.00 . A A . 75 ALA CB 1 1 16 9003 1 1 31 ALA H H -12.441 -0.266 4.395 1.00 . A A . 75 ALA H 1 1 16 9004 1 1 31 ALA HA H -14.919 -0.087 2.806 1.00 . A A . 75 ALA HA 1 1 16 9005 1 1 31 ALA HB1 H -12.638 1.746 3.562 1.00 . A A . 75 ALA HB1 1 1 16 9006 1 1 31 ALA HB2 H -13.875 2.248 2.408 1.00 . A A . 75 ALA HB2 1 1 16 9007 1 1 31 ALA HB3 H -14.326 1.841 4.064 1.00 . A A . 75 ALA HB3 1 1 16 9008 1 1 31 ALA N N -13.182 -0.656 3.887 1.00 . A A . 75 ALA N 1 1 16 9009 1 1 31 ALA O O -13.891 -0.130 0.449 1.00 . A A . 75 ALA O 1 1 16 9010 1 1 32 PHE C C -10.584 -1.973 0.179 1.00 . A A . 76 PHE C 1 1 16 9011 1 1 32 PHE CA C -11.256 -0.598 0.140 1.00 . A A . 76 PHE CA 1 1 16 9012 1 1 32 PHE CB C -10.211 0.514 -0.001 1.00 . A A . 76 PHE CB 1 1 16 9013 1 1 32 PHE CD1 C -11.008 2.140 1.756 1.00 . A A . 76 PHE CD1 1 1 16 9014 1 1 32 PHE CD2 C -11.195 2.765 -0.581 1.00 . A A . 76 PHE CD2 1 1 16 9015 1 1 32 PHE CE1 C -11.572 3.366 2.129 1.00 . A A . 76 PHE CE1 1 1 16 9016 1 1 32 PHE CE2 C -11.760 3.989 -0.207 1.00 . A A . 76 PHE CE2 1 1 16 9017 1 1 32 PHE CG C -10.819 1.839 0.401 1.00 . A A . 76 PHE CG 1 1 16 9018 1 1 32 PHE CZ C -11.949 4.290 1.148 1.00 . A A . 76 PHE CZ 1 1 16 9019 1 1 32 PHE H H -11.423 -0.322 2.267 1.00 . A A . 76 PHE H 1 1 16 9020 1 1 32 PHE HA H -11.962 -0.546 -0.671 1.00 . A A . 76 PHE HA 1 1 16 9021 1 1 32 PHE HB2 H -9.366 0.298 0.638 1.00 . A A . 76 PHE HB2 1 1 16 9022 1 1 32 PHE HB3 H -9.882 0.569 -1.029 1.00 . A A . 76 PHE HB3 1 1 16 9023 1 1 32 PHE HD1 H -10.718 1.427 2.513 1.00 . A A . 76 PHE HD1 1 1 16 9024 1 1 32 PHE HD2 H -11.049 2.535 -1.626 1.00 . A A . 76 PHE HD2 1 1 16 9025 1 1 32 PHE HE1 H -11.718 3.598 3.173 1.00 . A A . 76 PHE HE1 1 1 16 9026 1 1 32 PHE HE2 H -12.051 4.704 -0.964 1.00 . A A . 76 PHE HE2 1 1 16 9027 1 1 32 PHE HZ H -12.384 5.235 1.436 1.00 . A A . 76 PHE HZ 1 1 16 9028 1 1 32 PHE N N -11.940 -0.333 1.437 1.00 . A A . 76 PHE N 1 1 16 9029 1 1 32 PHE O O -10.618 -2.660 1.180 1.00 . A A . 76 PHE O 1 1 16 9030 1 1 33 GLU C C -8.479 -3.897 -2.180 1.00 . A A . 77 GLU C 1 1 16 9031 1 1 33 GLU CA C -9.308 -3.720 -0.906 1.00 . A A . 77 GLU CA 1 1 16 9032 1 1 33 GLU CB C -10.452 -4.733 -0.866 1.00 . A A . 77 GLU CB 1 1 16 9033 1 1 33 GLU CD C -11.029 -7.163 -0.936 1.00 . A A . 77 GLU CD 1 1 16 9034 1 1 33 GLU CG C -9.881 -6.151 -0.937 1.00 . A A . 77 GLU CG 1 1 16 9035 1 1 33 GLU H H -9.954 -1.821 -1.703 1.00 . A A . 77 GLU H 1 1 16 9036 1 1 33 GLU HA H -8.685 -3.835 -0.033 1.00 . A A . 77 GLU HA 1 1 16 9037 1 1 33 GLU HB2 H -11.007 -4.612 0.053 1.00 . A A . 77 GLU HB2 1 1 16 9038 1 1 33 GLU HB3 H -11.108 -4.569 -1.707 1.00 . A A . 77 GLU HB3 1 1 16 9039 1 1 33 GLU HG2 H -9.303 -6.261 -1.842 1.00 . A A . 77 GLU HG2 1 1 16 9040 1 1 33 GLU HG3 H -9.248 -6.328 -0.081 1.00 . A A . 77 GLU HG3 1 1 16 9041 1 1 33 GLU N N -9.973 -2.385 -0.900 1.00 . A A . 77 GLU N 1 1 16 9042 1 1 33 GLU O O -9.010 -4.083 -3.257 1.00 . A A . 77 GLU O 1 1 16 9043 1 1 33 GLU OE1 O -11.729 -7.235 0.060 1.00 . A A . 77 GLU OE1 1 1 16 9044 1 1 33 GLU OE2 O -11.187 -7.849 -1.932 1.00 . A A . 77 GLU OE2 1 1 16 9045 1 1 34 GLY C C -4.858 -3.776 -2.883 1.00 . A A . 78 GLY C 1 1 16 9046 1 1 34 GLY CA C -6.318 -4.013 -3.269 1.00 . A A . 78 GLY CA 1 1 16 9047 1 1 34 GLY H H -6.773 -3.697 -1.187 1.00 . A A . 78 GLY H 1 1 16 9048 1 1 34 GLY HA2 H -6.432 -5.016 -3.656 1.00 . A A . 78 GLY HA2 1 1 16 9049 1 1 34 GLY HA3 H -6.608 -3.298 -4.023 1.00 . A A . 78 GLY HA3 1 1 16 9050 1 1 34 GLY N N -7.181 -3.845 -2.066 1.00 . A A . 78 GLY N 1 1 16 9051 1 1 34 GLY O O -4.560 -3.315 -1.799 1.00 . A A . 78 GLY O 1 1 16 9052 1 1 35 ARG C C -2.252 -2.413 -3.061 1.00 . A A . 79 ARG C 1 1 16 9053 1 1 35 ARG CA C -2.502 -3.874 -3.444 1.00 . A A . 79 ARG CA 1 1 16 9054 1 1 35 ARG CB C -1.756 -4.228 -4.731 1.00 . A A . 79 ARG CB 1 1 16 9055 1 1 35 ARG CD C -1.289 -6.591 -4.065 1.00 . A A . 79 ARG CD 1 1 16 9056 1 1 35 ARG CG C -2.006 -5.696 -5.079 1.00 . A A . 79 ARG CG 1 1 16 9057 1 1 35 ARG CZ C -2.820 -8.287 -3.262 1.00 . A A . 79 ARG CZ 1 1 16 9058 1 1 35 ARG H H -4.206 -4.453 -4.633 1.00 . A A . 79 ARG H 1 1 16 9059 1 1 35 ARG HA H -2.194 -4.530 -2.647 1.00 . A A . 79 ARG HA 1 1 16 9060 1 1 35 ARG HB2 H -2.110 -3.600 -5.536 1.00 . A A . 79 ARG HB2 1 1 16 9061 1 1 35 ARG HB3 H -0.697 -4.069 -4.589 1.00 . A A . 79 ARG HB3 1 1 16 9062 1 1 35 ARG HD2 H -0.242 -6.679 -4.318 1.00 . A A . 79 ARG HD2 1 1 16 9063 1 1 35 ARG HD3 H -1.405 -6.198 -3.068 1.00 . A A . 79 ARG HD3 1 1 16 9064 1 1 35 ARG HE H -1.768 -8.503 -4.932 1.00 . A A . 79 ARG HE 1 1 16 9065 1 1 35 ARG HG2 H -3.067 -5.897 -5.051 1.00 . A A . 79 ARG HG2 1 1 16 9066 1 1 35 ARG HG3 H -1.626 -5.902 -6.069 1.00 . A A . 79 ARG HG3 1 1 16 9067 1 1 35 ARG HH11 H -3.273 -6.419 -2.704 1.00 . A A . 79 ARG HH11 1 1 16 9068 1 1 35 ARG HH12 H -4.102 -7.677 -1.850 1.00 . A A . 79 ARG HH12 1 1 16 9069 1 1 35 ARG HH21 H -2.567 -10.243 -3.608 1.00 . A A . 79 ARG HH21 1 1 16 9070 1 1 35 ARG HH22 H -3.702 -9.843 -2.362 1.00 . A A . 79 ARG HH22 1 1 16 9071 1 1 35 ARG N N -3.945 -4.084 -3.762 1.00 . A A . 79 ARG N 1 1 16 9072 1 1 35 ARG NE N -1.966 -7.913 -4.175 1.00 . A A . 79 ARG NE 1 1 16 9073 1 1 35 ARG NH1 N -3.447 -7.392 -2.550 1.00 . A A . 79 ARG NH1 1 1 16 9074 1 1 35 ARG NH2 N -3.047 -9.556 -3.062 1.00 . A A . 79 ARG NH2 1 1 16 9075 1 1 35 ARG O O -1.232 -2.076 -2.496 1.00 . A A . 79 ARG O 1 1 16 9076 1 1 36 ASN C C -4.362 0.561 -2.849 1.00 . A A . 80 ASN C 1 1 16 9077 1 1 36 ASN CA C -2.993 -0.106 -3.019 1.00 . A A . 80 ASN CA 1 1 16 9078 1 1 36 ASN CB C -2.257 0.496 -4.216 1.00 . A A . 80 ASN CB 1 1 16 9079 1 1 36 ASN CG C -0.798 0.035 -4.208 1.00 . A A . 80 ASN CG 1 1 16 9080 1 1 36 ASN H H -3.990 -1.836 -3.823 1.00 . A A . 80 ASN H 1 1 16 9081 1 1 36 ASN HA H -2.398 0.000 -2.121 1.00 . A A . 80 ASN HA 1 1 16 9082 1 1 36 ASN HB2 H -2.735 0.172 -5.130 1.00 . A A . 80 ASN HB2 1 1 16 9083 1 1 36 ASN HB3 H -2.292 1.574 -4.154 1.00 . A A . 80 ASN HB3 1 1 16 9084 1 1 36 ASN HD21 H -1.204 -1.726 -5.037 1.00 . A A . 80 ASN HD21 1 1 16 9085 1 1 36 ASN HD22 H 0.439 -1.447 -4.678 1.00 . A A . 80 ASN HD22 1 1 16 9086 1 1 36 ASN N N -3.175 -1.544 -3.365 1.00 . A A . 80 ASN N 1 1 16 9087 1 1 36 ASN ND2 N -0.496 -1.144 -4.680 1.00 . A A . 80 ASN ND2 1 1 16 9088 1 1 36 ASN O O -4.527 1.735 -3.116 1.00 . A A . 80 ASN O 1 1 16 9089 1 1 36 ASN OD1 O 0.075 0.755 -3.770 1.00 . A A . 80 ASN OD1 1 1 16 9090 1 1 37 CYS C C -7.234 0.898 -3.597 1.00 . A A . 81 CYS C 1 1 16 9091 1 1 37 CYS CA C -6.708 0.403 -2.249 1.00 . A A . 81 CYS CA 1 1 16 9092 1 1 37 CYS CB C -6.529 1.575 -1.285 1.00 . A A . 81 CYS CB 1 1 16 9093 1 1 37 CYS H H -5.190 -1.132 -2.222 1.00 . A A . 81 CYS H 1 1 16 9094 1 1 37 CYS HA H -7.382 -0.326 -1.825 1.00 . A A . 81 CYS HA 1 1 16 9095 1 1 37 CYS HB2 H -6.010 2.376 -1.788 1.00 . A A . 81 CYS HB2 1 1 16 9096 1 1 37 CYS HB3 H -7.500 1.924 -0.960 1.00 . A A . 81 CYS HB3 1 1 16 9097 1 1 37 CYS N N -5.346 -0.184 -2.421 1.00 . A A . 81 CYS N 1 1 16 9098 1 1 37 CYS O O -8.210 1.618 -3.669 1.00 . A A . 81 CYS O 1 1 16 9099 1 1 37 CYS SG S -5.570 1.044 0.149 1.00 . A A . 81 CYS SG 1 1 16 9100 1 1 38 GLU C C -8.427 0.380 -6.328 1.00 . A A . 82 GLU C 1 1 16 9101 1 1 38 GLU CA C -7.045 0.968 -6.012 1.00 . A A . 82 GLU CA 1 1 16 9102 1 1 38 GLU CB C -5.976 0.436 -6.976 1.00 . A A . 82 GLU CB 1 1 16 9103 1 1 38 GLU CD C -5.533 -0.424 -9.282 1.00 . A A . 82 GLU CD 1 1 16 9104 1 1 38 GLU CG C -6.579 0.216 -8.367 1.00 . A A . 82 GLU CG 1 1 16 9105 1 1 38 GLU H H -5.804 -0.059 -4.583 1.00 . A A . 82 GLU H 1 1 16 9106 1 1 38 GLU HA H -7.076 2.045 -6.056 1.00 . A A . 82 GLU HA 1 1 16 9107 1 1 38 GLU HB2 H -5.170 1.155 -7.046 1.00 . A A . 82 GLU HB2 1 1 16 9108 1 1 38 GLU HB3 H -5.588 -0.502 -6.601 1.00 . A A . 82 GLU HB3 1 1 16 9109 1 1 38 GLU HG2 H -7.437 -0.436 -8.287 1.00 . A A . 82 GLU HG2 1 1 16 9110 1 1 38 GLU HG3 H -6.884 1.165 -8.782 1.00 . A A . 82 GLU HG3 1 1 16 9111 1 1 38 GLU N N -6.591 0.519 -4.666 1.00 . A A . 82 GLU N 1 1 16 9112 1 1 38 GLU O O -9.052 0.738 -7.307 1.00 . A A . 82 GLU O 1 1 16 9113 1 1 38 GLU OE1 O -4.355 -0.238 -9.026 1.00 . A A . 82 GLU OE1 1 1 16 9114 1 1 38 GLU OE2 O -5.928 -1.090 -10.225 1.00 . A A . 82 GLU OE2 1 1 16 9115 1 1 39 THR C C -11.230 -0.720 -4.664 1.00 . A A . 83 THR C 1 1 16 9116 1 1 39 THR CA C -10.249 -1.114 -5.771 1.00 . A A . 83 THR CA 1 1 16 9117 1 1 39 THR CB C -10.013 -2.625 -5.770 1.00 . A A . 83 THR CB 1 1 16 9118 1 1 39 THR CG2 C -11.350 -3.355 -5.633 1.00 . A A . 83 THR CG2 1 1 16 9119 1 1 39 THR H H -8.394 -0.791 -4.724 1.00 . A A . 83 THR H 1 1 16 9120 1 1 39 THR HA H -10.621 -0.801 -6.734 1.00 . A A . 83 THR HA 1 1 16 9121 1 1 39 THR HB H -9.376 -2.890 -4.940 1.00 . A A . 83 THR HB 1 1 16 9122 1 1 39 THR HG1 H -8.536 -3.395 -6.774 1.00 . A A . 83 THR HG1 1 1 16 9123 1 1 39 THR HG21 H -12.153 -2.694 -5.927 1.00 . A A . 83 THR HG21 1 1 16 9124 1 1 39 THR HG22 H -11.351 -4.228 -6.269 1.00 . A A . 83 THR HG22 1 1 16 9125 1 1 39 THR HG23 H -11.492 -3.656 -4.606 1.00 . A A . 83 THR HG23 1 1 16 9126 1 1 39 THR N N -8.910 -0.514 -5.509 1.00 . A A . 83 THR N 1 1 16 9127 1 1 39 THR O O -11.609 -1.528 -3.839 1.00 . A A . 83 THR O 1 1 16 9128 1 1 39 THR OG1 O -9.386 -3.005 -6.987 1.00 . A A . 83 THR OG1 1 1 16 9129 1 1 40 HIS C C -13.866 0.104 -3.623 1.00 . A A . 84 HIS C 1 1 16 9130 1 1 40 HIS CA C -12.600 0.964 -3.585 1.00 . A A . 84 HIS CA 1 1 16 9131 1 1 40 HIS CB C -12.927 2.416 -3.936 1.00 . A A . 84 HIS CB 1 1 16 9132 1 1 40 HIS CD2 C -14.527 2.608 -1.860 1.00 . A A . 84 HIS CD2 1 1 16 9133 1 1 40 HIS CE1 C -16.026 3.905 -2.736 1.00 . A A . 84 HIS CE1 1 1 16 9134 1 1 40 HIS CG C -14.127 2.864 -3.148 1.00 . A A . 84 HIS CG 1 1 16 9135 1 1 40 HIS H H -11.325 1.154 -5.313 1.00 . A A . 84 HIS H 1 1 16 9136 1 1 40 HIS HA H -12.139 0.915 -2.611 1.00 . A A . 84 HIS HA 1 1 16 9137 1 1 40 HIS HB2 H -12.081 3.044 -3.694 1.00 . A A . 84 HIS HB2 1 1 16 9138 1 1 40 HIS HB3 H -13.142 2.492 -4.992 1.00 . A A . 84 HIS HB3 1 1 16 9139 1 1 40 HIS HD1 H -15.107 4.058 -4.597 1.00 . A A . 84 HIS HD1 1 1 16 9140 1 1 40 HIS HD2 H -13.992 1.990 -1.154 1.00 . A A . 84 HIS HD2 1 1 16 9141 1 1 40 HIS HE1 H -16.905 4.516 -2.873 1.00 . A A . 84 HIS HE1 1 1 16 9142 1 1 40 HIS N N -11.644 0.517 -4.638 1.00 . A A . 84 HIS N 1 1 16 9143 1 1 40 HIS ND1 N -15.098 3.693 -3.687 1.00 . A A . 84 HIS ND1 1 1 16 9144 1 1 40 HIS NE2 N -15.726 3.266 -1.602 1.00 . A A . 84 HIS NE2 1 1 16 9145 1 1 40 HIS O O -14.493 -0.048 -4.652 1.00 . A A . 84 HIS O 1 1 16 9146 1 1 41 LYS C C -16.702 -0.473 -2.848 1.00 . A A . 85 LYS C 1 1 16 9147 1 1 41 LYS CA C -15.472 -1.308 -2.483 1.00 . A A . 85 LYS CA 1 1 16 9148 1 1 41 LYS CB C -15.574 -1.814 -1.044 1.00 . A A . 85 LYS CB 1 1 16 9149 1 1 41 LYS CD C -14.495 -3.257 0.687 1.00 . A A . 85 LYS CD 1 1 16 9150 1 1 41 LYS CE C -13.581 -4.478 0.816 1.00 . A A . 85 LYS CE 1 1 16 9151 1 1 41 LYS CG C -14.334 -2.641 -0.704 1.00 . A A . 85 LYS CG 1 1 16 9152 1 1 41 LYS H H -13.727 -0.323 -1.689 1.00 . A A . 85 LYS H 1 1 16 9153 1 1 41 LYS HA H -15.367 -2.141 -3.160 1.00 . A A . 85 LYS HA 1 1 16 9154 1 1 41 LYS HB2 H -15.640 -0.969 -0.370 1.00 . A A . 85 LYS HB2 1 1 16 9155 1 1 41 LYS HB3 H -16.455 -2.429 -0.940 1.00 . A A . 85 LYS HB3 1 1 16 9156 1 1 41 LYS HD2 H -14.227 -2.525 1.436 1.00 . A A . 85 LYS HD2 1 1 16 9157 1 1 41 LYS HD3 H -15.521 -3.560 0.830 1.00 . A A . 85 LYS HD3 1 1 16 9158 1 1 41 LYS HE2 H -13.555 -5.025 -0.117 1.00 . A A . 85 LYS HE2 1 1 16 9159 1 1 41 LYS HE3 H -12.587 -4.175 1.104 1.00 . A A . 85 LYS HE3 1 1 16 9160 1 1 41 LYS HG2 H -14.216 -3.428 -1.435 1.00 . A A . 85 LYS HG2 1 1 16 9161 1 1 41 LYS HG3 H -13.461 -2.005 -0.716 1.00 . A A . 85 LYS HG3 1 1 16 9162 1 1 41 LYS HZ1 H -15.232 -5.222 1.842 1.00 . A A . 85 LYS HZ1 1 1 16 9163 1 1 41 LYS HZ2 H -13.921 -6.301 1.762 1.00 . A A . 85 LYS HZ2 1 1 16 9164 1 1 41 LYS HZ3 H -13.863 -4.974 2.817 1.00 . A A . 85 LYS HZ3 1 1 16 9165 1 1 41 LYS N N -14.246 -0.458 -2.509 1.00 . A A . 85 LYS N 1 1 16 9166 1 1 41 LYS NZ N -14.196 -5.306 1.890 1.00 . A A . 85 LYS NZ 1 1 16 9167 1 1 41 LYS O O -16.610 0.742 -2.781 1.00 . A A . 85 LYS O 1 1 16 9168 1 1 41 LYS OXT O -17.715 -1.062 -3.185 1.00 . A A . 85 LYS OXT 1 1 17 9169 1 1 1 SER C C 13.009 -4.063 -4.358 1.00 . A A . 45 SER C 1 1 17 9170 1 1 1 SER CA C 12.440 -3.890 -5.768 1.00 . A A . 45 SER CA 1 1 17 9171 1 1 1 SER CB C 13.484 -3.267 -6.694 1.00 . A A . 45 SER CB 1 1 17 9172 1 1 1 SER H1 H 10.738 -3.064 -4.894 1.00 . A A . 45 SER H1 1 1 17 9173 1 1 1 SER H2 H 11.686 -1.947 -5.756 1.00 . A A . 45 SER H2 1 1 17 9174 1 1 1 SER H3 H 10.716 -3.060 -6.593 1.00 . A A . 45 SER H3 1 1 17 9175 1 1 1 SER HA H 12.115 -4.839 -6.164 1.00 . A A . 45 SER HA 1 1 17 9176 1 1 1 SER HB2 H 13.070 -2.396 -7.173 1.00 . A A . 45 SER HB2 1 1 17 9177 1 1 1 SER HB3 H 14.351 -2.978 -6.115 1.00 . A A . 45 SER HB3 1 1 17 9178 1 1 1 SER HG H 14.707 -3.950 -8.045 1.00 . A A . 45 SER HG 1 1 17 9179 1 1 1 SER N N 11.310 -2.916 -5.752 1.00 . A A . 45 SER N 1 1 17 9180 1 1 1 SER O O 12.785 -5.064 -3.707 1.00 . A A . 45 SER O 1 1 17 9181 1 1 1 SER OG O 13.856 -4.215 -7.687 1.00 . A A . 45 SER OG 1 1 17 9182 1 1 2 ASP C C 15.177 -1.972 -2.199 1.00 . A A . 46 ASP C 1 1 17 9183 1 1 2 ASP CA C 14.325 -3.206 -2.512 1.00 . A A . 46 ASP CA 1 1 17 9184 1 1 2 ASP CB C 15.196 -4.462 -2.554 1.00 . A A . 46 ASP CB 1 1 17 9185 1 1 2 ASP CG C 16.113 -4.408 -3.778 1.00 . A A . 46 ASP CG 1 1 17 9186 1 1 2 ASP H H 13.912 -2.296 -4.422 1.00 . A A . 46 ASP H 1 1 17 9187 1 1 2 ASP HA H 13.545 -3.323 -1.778 1.00 . A A . 46 ASP HA 1 1 17 9188 1 1 2 ASP HB2 H 15.796 -4.514 -1.656 1.00 . A A . 46 ASP HB2 1 1 17 9189 1 1 2 ASP HB3 H 14.565 -5.336 -2.616 1.00 . A A . 46 ASP HB3 1 1 17 9190 1 1 2 ASP N N 13.743 -3.095 -3.880 1.00 . A A . 46 ASP N 1 1 17 9191 1 1 2 ASP O O 16.194 -1.735 -2.820 1.00 . A A . 46 ASP O 1 1 17 9192 1 1 2 ASP OD1 O 15.694 -4.868 -4.827 1.00 . A A . 46 ASP OD1 1 1 17 9193 1 1 2 ASP OD2 O 17.218 -3.908 -3.644 1.00 . A A . 46 ASP OD2 1 1 17 9194 1 1 3 GLY C C 14.673 1.013 -0.124 1.00 . A A . 47 GLY C 1 1 17 9195 1 1 3 GLY CA C 15.558 0.030 -0.891 1.00 . A A . 47 GLY CA 1 1 17 9196 1 1 3 GLY H H 13.948 -1.394 -0.751 1.00 . A A . 47 GLY H 1 1 17 9197 1 1 3 GLY HA2 H 16.400 -0.253 -0.276 1.00 . A A . 47 GLY HA2 1 1 17 9198 1 1 3 GLY HA3 H 15.914 0.501 -1.794 1.00 . A A . 47 GLY HA3 1 1 17 9199 1 1 3 GLY N N 14.770 -1.186 -1.241 1.00 . A A . 47 GLY N 1 1 17 9200 1 1 3 GLY O O 15.155 1.860 0.603 1.00 . A A . 47 GLY O 1 1 17 9201 1 1 4 ASP C C 11.019 1.621 0.001 1.00 . A A . 48 ASP C 1 1 17 9202 1 1 4 ASP CA C 12.468 1.843 0.445 1.00 . A A . 48 ASP CA 1 1 17 9203 1 1 4 ASP CB C 12.940 3.244 0.051 1.00 . A A . 48 ASP CB 1 1 17 9204 1 1 4 ASP CG C 13.216 4.063 1.313 1.00 . A A . 48 ASP CG 1 1 17 9205 1 1 4 ASP H H 13.010 0.222 -0.868 1.00 . A A . 48 ASP H 1 1 17 9206 1 1 4 ASP HA H 12.561 1.711 1.511 1.00 . A A . 48 ASP HA 1 1 17 9207 1 1 4 ASP HB2 H 13.845 3.167 -0.534 1.00 . A A . 48 ASP HB2 1 1 17 9208 1 1 4 ASP HB3 H 12.174 3.731 -0.532 1.00 . A A . 48 ASP HB3 1 1 17 9209 1 1 4 ASP N N 13.381 0.911 -0.278 1.00 . A A . 48 ASP N 1 1 17 9210 1 1 4 ASP O O 10.097 1.840 0.755 1.00 . A A . 48 ASP O 1 1 17 9211 1 1 4 ASP OD1 O 13.364 3.464 2.365 1.00 . A A . 48 ASP OD1 1 1 17 9212 1 1 4 ASP OD2 O 13.276 5.278 1.205 1.00 . A A . 48 ASP OD2 1 1 17 9213 1 1 5 GLN C C 8.512 2.113 -1.419 1.00 . A A . 49 GLN C 1 1 17 9214 1 1 5 GLN CA C 9.443 0.937 -1.732 1.00 . A A . 49 GLN CA 1 1 17 9215 1 1 5 GLN CB C 8.976 -0.327 -1.023 1.00 . A A . 49 GLN CB 1 1 17 9216 1 1 5 GLN CD C 11.006 -1.785 -1.013 1.00 . A A . 49 GLN CD 1 1 17 9217 1 1 5 GLN CG C 9.641 -1.547 -1.664 1.00 . A A . 49 GLN CG 1 1 17 9218 1 1 5 GLN H H 11.591 1.013 -1.795 1.00 . A A . 49 GLN H 1 1 17 9219 1 1 5 GLN HA H 9.474 0.761 -2.792 1.00 . A A . 49 GLN HA 1 1 17 9220 1 1 5 GLN HB2 H 9.249 -0.272 0.014 1.00 . A A . 49 GLN HB2 1 1 17 9221 1 1 5 GLN HB3 H 7.906 -0.413 -1.113 1.00 . A A . 49 GLN HB3 1 1 17 9222 1 1 5 GLN HE21 H 10.231 -2.470 0.684 1.00 . A A . 49 GLN HE21 1 1 17 9223 1 1 5 GLN HE22 H 11.935 -2.421 0.625 1.00 . A A . 49 GLN HE22 1 1 17 9224 1 1 5 GLN HG2 H 9.017 -2.417 -1.520 1.00 . A A . 49 GLN HG2 1 1 17 9225 1 1 5 GLN HG3 H 9.776 -1.370 -2.720 1.00 . A A . 49 GLN HG3 1 1 17 9226 1 1 5 GLN N N 10.824 1.184 -1.216 1.00 . A A . 49 GLN N 1 1 17 9227 1 1 5 GLN NE2 N 11.062 -2.264 0.198 1.00 . A A . 49 GLN NE2 1 1 17 9228 1 1 5 GLN O O 8.304 2.985 -2.241 1.00 . A A . 49 GLN O 1 1 17 9229 1 1 5 GLN OE1 O 12.031 -1.531 -1.614 1.00 . A A . 49 GLN OE1 1 1 17 9230 1 1 6 CYS C C 7.807 4.521 0.465 1.00 . A A . 50 CYS C 1 1 17 9231 1 1 6 CYS CA C 7.014 3.263 0.102 1.00 . A A . 50 CYS CA 1 1 17 9232 1 1 6 CYS CB C 6.234 2.765 1.317 1.00 . A A . 50 CYS CB 1 1 17 9233 1 1 6 CYS H H 8.107 1.429 0.402 1.00 . A A . 50 CYS H 1 1 17 9234 1 1 6 CYS HA H 6.339 3.462 -0.714 1.00 . A A . 50 CYS HA 1 1 17 9235 1 1 6 CYS HB2 H 6.894 2.709 2.171 1.00 . A A . 50 CYS HB2 1 1 17 9236 1 1 6 CYS HB3 H 5.428 3.451 1.532 1.00 . A A . 50 CYS HB3 1 1 17 9237 1 1 6 CYS N N 7.939 2.145 -0.245 1.00 . A A . 50 CYS N 1 1 17 9238 1 1 6 CYS O O 8.031 4.813 1.622 1.00 . A A . 50 CYS O 1 1 17 9239 1 1 6 CYS SG S 5.555 1.125 0.973 1.00 . A A . 50 CYS SG 1 1 17 9240 1 1 7 ALA C C 8.063 7.730 -0.334 1.00 . A A . 51 ALA C 1 1 17 9241 1 1 7 ALA CA C 8.990 6.516 -0.235 1.00 . A A . 51 ALA CA 1 1 17 9242 1 1 7 ALA CB C 10.070 6.574 -1.316 1.00 . A A . 51 ALA CB 1 1 17 9243 1 1 7 ALA H H 8.023 5.019 -1.444 1.00 . A A . 51 ALA H 1 1 17 9244 1 1 7 ALA HA H 9.446 6.467 0.741 1.00 . A A . 51 ALA HA 1 1 17 9245 1 1 7 ALA HB1 H 10.250 5.580 -1.698 1.00 . A A . 51 ALA HB1 1 1 17 9246 1 1 7 ALA HB2 H 9.740 7.213 -2.121 1.00 . A A . 51 ALA HB2 1 1 17 9247 1 1 7 ALA HB3 H 10.982 6.968 -0.894 1.00 . A A . 51 ALA HB3 1 1 17 9248 1 1 7 ALA N N 8.222 5.271 -0.519 1.00 . A A . 51 ALA N 1 1 17 9249 1 1 7 ALA O O 8.411 8.826 0.060 1.00 . A A . 51 ALA O 1 1 17 9250 1 1 8 SER C C 4.496 8.193 -0.730 1.00 . A A . 52 SER C 1 1 17 9251 1 1 8 SER CA C 5.927 8.677 -0.987 1.00 . A A . 52 SER CA 1 1 17 9252 1 1 8 SER CB C 6.078 9.162 -2.428 1.00 . A A . 52 SER CB 1 1 17 9253 1 1 8 SER H H 6.624 6.647 -1.170 1.00 . A A . 52 SER H 1 1 17 9254 1 1 8 SER HA H 6.187 9.468 -0.302 1.00 . A A . 52 SER HA 1 1 17 9255 1 1 8 SER HB2 H 6.704 10.038 -2.453 1.00 . A A . 52 SER HB2 1 1 17 9256 1 1 8 SER HB3 H 6.532 8.381 -3.024 1.00 . A A . 52 SER HB3 1 1 17 9257 1 1 8 SER HG H 4.851 10.363 -3.343 1.00 . A A . 52 SER HG 1 1 17 9258 1 1 8 SER N N 6.883 7.540 -0.860 1.00 . A A . 52 SER N 1 1 17 9259 1 1 8 SER O O 3.537 8.841 -1.095 1.00 . A A . 52 SER O 1 1 17 9260 1 1 8 SER OG O 4.797 9.489 -2.951 1.00 . A A . 52 SER OG 1 1 17 9261 1 1 9 SER C C 2.292 6.107 -1.118 1.00 . A A . 53 SER C 1 1 17 9262 1 1 9 SER CA C 2.983 6.528 0.182 1.00 . A A . 53 SER CA 1 1 17 9263 1 1 9 SER CB C 2.232 7.688 0.837 1.00 . A A . 53 SER CB 1 1 17 9264 1 1 9 SER H H 5.138 6.551 0.184 1.00 . A A . 53 SER H 1 1 17 9265 1 1 9 SER HA H 3.037 5.695 0.865 1.00 . A A . 53 SER HA 1 1 17 9266 1 1 9 SER HB2 H 1.749 8.281 0.078 1.00 . A A . 53 SER HB2 1 1 17 9267 1 1 9 SER HB3 H 1.485 7.296 1.514 1.00 . A A . 53 SER HB3 1 1 17 9268 1 1 9 SER HG H 2.927 8.464 2.480 1.00 . A A . 53 SER HG 1 1 17 9269 1 1 9 SER N N 4.350 7.057 -0.102 1.00 . A A . 53 SER N 1 1 17 9270 1 1 9 SER O O 1.427 6.801 -1.615 1.00 . A A . 53 SER O 1 1 17 9271 1 1 9 SER OG O 3.155 8.502 1.548 1.00 . A A . 53 SER OG 1 1 17 9272 1 1 10 PRO C C 0.714 3.892 -2.620 1.00 . A A . 54 PRO C 1 1 17 9273 1 1 10 PRO CA C 2.117 4.448 -2.882 1.00 . A A . 54 PRO CA 1 1 17 9274 1 1 10 PRO CB C 3.072 3.325 -3.281 1.00 . A A . 54 PRO CB 1 1 17 9275 1 1 10 PRO CD C 3.736 4.093 -1.079 1.00 . A A . 54 PRO CD 1 1 17 9276 1 1 10 PRO CG C 3.739 2.905 -2.010 1.00 . A A . 54 PRO CG 1 1 17 9277 1 1 10 PRO HA H 2.095 5.208 -3.646 1.00 . A A . 54 PRO HA 1 1 17 9278 1 1 10 PRO HB2 H 2.518 2.500 -3.707 1.00 . A A . 54 PRO HB2 1 1 17 9279 1 1 10 PRO HB3 H 3.808 3.688 -3.981 1.00 . A A . 54 PRO HB3 1 1 17 9280 1 1 10 PRO HD2 H 3.482 3.784 -0.074 1.00 . A A . 54 PRO HD2 1 1 17 9281 1 1 10 PRO HD3 H 4.694 4.589 -1.094 1.00 . A A . 54 PRO HD3 1 1 17 9282 1 1 10 PRO HG2 H 3.194 2.085 -1.566 1.00 . A A . 54 PRO HG2 1 1 17 9283 1 1 10 PRO HG3 H 4.756 2.605 -2.210 1.00 . A A . 54 PRO HG3 1 1 17 9284 1 1 10 PRO N N 2.702 4.976 -1.626 1.00 . A A . 54 PRO N 1 1 17 9285 1 1 10 PRO O O 0.039 3.434 -3.521 1.00 . A A . 54 PRO O 1 1 17 9286 1 1 11 CYS C C -2.145 4.459 -1.345 1.00 . A A . 55 CYS C 1 1 17 9287 1 1 11 CYS CA C -1.083 3.390 -1.070 1.00 . A A . 55 CYS CA 1 1 17 9288 1 1 11 CYS CB C -1.054 3.048 0.426 1.00 . A A . 55 CYS CB 1 1 17 9289 1 1 11 CYS H H 0.836 4.292 -0.679 1.00 . A A . 55 CYS H 1 1 17 9290 1 1 11 CYS HA H -1.285 2.501 -1.648 1.00 . A A . 55 CYS HA 1 1 17 9291 1 1 11 CYS HB2 H -1.229 3.947 0.999 1.00 . A A . 55 CYS HB2 1 1 17 9292 1 1 11 CYS HB3 H -1.831 2.328 0.641 1.00 . A A . 55 CYS HB3 1 1 17 9293 1 1 11 CYS N N 0.274 3.923 -1.392 1.00 . A A . 55 CYS N 1 1 17 9294 1 1 11 CYS O O -1.836 5.618 -1.534 1.00 . A A . 55 CYS O 1 1 17 9295 1 1 11 CYS SG S 0.556 2.351 0.890 1.00 . A A . 55 CYS SG 1 1 17 9296 1 1 12 GLN C C -5.650 4.848 -0.680 1.00 . A A . 56 GLN C 1 1 17 9297 1 1 12 GLN CA C -4.469 5.075 -1.625 1.00 . A A . 56 GLN CA 1 1 17 9298 1 1 12 GLN CB C -4.892 4.836 -3.073 1.00 . A A . 56 GLN CB 1 1 17 9299 1 1 12 GLN CD C -3.974 4.545 -5.377 1.00 . A A . 56 GLN CD 1 1 17 9300 1 1 12 GLN CG C -3.718 5.150 -3.996 1.00 . A A . 56 GLN CG 1 1 17 9301 1 1 12 GLN H H -3.622 3.142 -1.212 1.00 . A A . 56 GLN H 1 1 17 9302 1 1 12 GLN HA H -4.086 6.074 -1.516 1.00 . A A . 56 GLN HA 1 1 17 9303 1 1 12 GLN HB2 H -5.184 3.802 -3.198 1.00 . A A . 56 GLN HB2 1 1 17 9304 1 1 12 GLN HB3 H -5.722 5.480 -3.318 1.00 . A A . 56 GLN HB3 1 1 17 9305 1 1 12 GLN HE21 H -2.425 3.304 -5.272 1.00 . A A . 56 GLN HE21 1 1 17 9306 1 1 12 GLN HE22 H -3.337 3.217 -6.712 1.00 . A A . 56 GLN HE22 1 1 17 9307 1 1 12 GLN HG2 H -3.610 6.222 -4.084 1.00 . A A . 56 GLN HG2 1 1 17 9308 1 1 12 GLN HG3 H -2.814 4.728 -3.581 1.00 . A A . 56 GLN HG3 1 1 17 9309 1 1 12 GLN N N -3.393 4.079 -1.366 1.00 . A A . 56 GLN N 1 1 17 9310 1 1 12 GLN NE2 N -3.179 3.612 -5.824 1.00 . A A . 56 GLN NE2 1 1 17 9311 1 1 12 GLN O O -5.694 3.884 0.058 1.00 . A A . 56 GLN O 1 1 17 9312 1 1 12 GLN OE1 O -4.906 4.927 -6.057 1.00 . A A . 56 GLN OE1 1 1 17 9313 1 1 13 ASN C C -7.357 5.474 1.651 1.00 . A A . 57 ASN C 1 1 17 9314 1 1 13 ASN CA C -7.794 5.576 0.188 1.00 . A A . 57 ASN CA 1 1 17 9315 1 1 13 ASN CB C -8.464 4.280 -0.266 1.00 . A A . 57 ASN CB 1 1 17 9316 1 1 13 ASN CG C -9.083 4.481 -1.650 1.00 . A A . 57 ASN CG 1 1 17 9317 1 1 13 ASN H H -6.548 6.498 -1.312 1.00 . A A . 57 ASN H 1 1 17 9318 1 1 13 ASN HA H -8.472 6.405 0.056 1.00 . A A . 57 ASN HA 1 1 17 9319 1 1 13 ASN HB2 H -7.726 3.493 -0.311 1.00 . A A . 57 ASN HB2 1 1 17 9320 1 1 13 ASN HB3 H -9.238 4.010 0.437 1.00 . A A . 57 ASN HB3 1 1 17 9321 1 1 13 ASN HD21 H -7.969 3.075 -2.505 1.00 . A A . 57 ASN HD21 1 1 17 9322 1 1 13 ASN HD22 H -9.063 3.872 -3.542 1.00 . A A . 57 ASN HD22 1 1 17 9323 1 1 13 ASN N N -6.607 5.731 -0.704 1.00 . A A . 57 ASN N 1 1 17 9324 1 1 13 ASN ND2 N -8.671 3.749 -2.648 1.00 . A A . 57 ASN ND2 1 1 17 9325 1 1 13 ASN O O -7.889 4.695 2.416 1.00 . A A . 57 ASN O 1 1 17 9326 1 1 13 ASN OD1 O -9.950 5.313 -1.825 1.00 . A A . 57 ASN OD1 1 1 17 9327 1 1 14 GLY C C -5.339 4.839 3.779 1.00 . A A . 58 GLY C 1 1 17 9328 1 1 14 GLY CA C -5.927 6.216 3.462 1.00 . A A . 58 GLY CA 1 1 17 9329 1 1 14 GLY H H -5.984 6.886 1.415 1.00 . A A . 58 GLY H 1 1 17 9330 1 1 14 GLY HA2 H -5.171 6.974 3.613 1.00 . A A . 58 GLY HA2 1 1 17 9331 1 1 14 GLY HA3 H -6.761 6.407 4.121 1.00 . A A . 58 GLY HA3 1 1 17 9332 1 1 14 GLY N N -6.395 6.261 2.048 1.00 . A A . 58 GLY N 1 1 17 9333 1 1 14 GLY O O -5.326 4.407 4.914 1.00 . A A . 58 GLY O 1 1 17 9334 1 1 15 GLY C C -2.785 2.968 3.452 1.00 . A A . 59 GLY C 1 1 17 9335 1 1 15 GLY CA C -4.252 2.801 3.048 1.00 . A A . 59 GLY CA 1 1 17 9336 1 1 15 GLY H H -4.857 4.511 1.879 1.00 . A A . 59 GLY H 1 1 17 9337 1 1 15 GLY HA2 H -4.797 2.319 3.849 1.00 . A A . 59 GLY HA2 1 1 17 9338 1 1 15 GLY HA3 H -4.313 2.199 2.153 1.00 . A A . 59 GLY HA3 1 1 17 9339 1 1 15 GLY N N -4.844 4.147 2.789 1.00 . A A . 59 GLY N 1 1 17 9340 1 1 15 GLY O O -2.075 3.796 2.917 1.00 . A A . 59 GLY O 1 1 17 9341 1 1 16 SER C C 0.016 1.544 3.885 1.00 . A A . 60 SER C 1 1 17 9342 1 1 16 SER CA C -0.905 2.314 4.836 1.00 . A A . 60 SER CA 1 1 17 9343 1 1 16 SER CB C -0.870 1.694 6.233 1.00 . A A . 60 SER CB 1 1 17 9344 1 1 16 SER H H -2.915 1.533 4.820 1.00 . A A . 60 SER H 1 1 17 9345 1 1 16 SER HA H -0.613 3.351 4.888 1.00 . A A . 60 SER HA 1 1 17 9346 1 1 16 SER HB2 H -1.804 1.879 6.734 1.00 . A A . 60 SER HB2 1 1 17 9347 1 1 16 SER HB3 H -0.716 0.626 6.147 1.00 . A A . 60 SER HB3 1 1 17 9348 1 1 16 SER HG H -0.203 2.838 7.657 1.00 . A A . 60 SER HG 1 1 17 9349 1 1 16 SER N N -2.326 2.192 4.396 1.00 . A A . 60 SER N 1 1 17 9350 1 1 16 SER O O -0.435 0.825 3.017 1.00 . A A . 60 SER O 1 1 17 9351 1 1 16 SER OG O 0.187 2.279 6.980 1.00 . A A . 60 SER OG 1 1 17 9352 1 1 17 CYS C C 3.154 0.036 3.965 1.00 . A A . 61 CYS C 1 1 17 9353 1 1 17 CYS CA C 2.247 0.958 3.148 1.00 . A A . 61 CYS CA 1 1 17 9354 1 1 17 CYS CB C 3.079 2.037 2.456 1.00 . A A . 61 CYS CB 1 1 17 9355 1 1 17 CYS H H 1.650 2.271 4.751 1.00 . A A . 61 CYS H 1 1 17 9356 1 1 17 CYS HA H 1.701 0.390 2.413 1.00 . A A . 61 CYS HA 1 1 17 9357 1 1 17 CYS HB2 H 2.494 2.939 2.355 1.00 . A A . 61 CYS HB2 1 1 17 9358 1 1 17 CYS HB3 H 3.961 2.244 3.042 1.00 . A A . 61 CYS HB3 1 1 17 9359 1 1 17 CYS N N 1.304 1.688 4.044 1.00 . A A . 61 CYS N 1 1 17 9360 1 1 17 CYS O O 3.737 0.436 4.953 1.00 . A A . 61 CYS O 1 1 17 9361 1 1 17 CYS SG S 3.568 1.444 0.817 1.00 . A A . 61 CYS SG 1 1 17 9362 1 1 18 LYS C C 5.481 -2.328 3.555 1.00 . A A . 62 LYS C 1 1 17 9363 1 1 18 LYS CA C 4.156 -2.144 4.299 1.00 . A A . 62 LYS CA 1 1 17 9364 1 1 18 LYS CB C 3.380 -3.459 4.336 1.00 . A A . 62 LYS CB 1 1 17 9365 1 1 18 LYS CD C 3.878 -5.848 4.858 1.00 . A A . 62 LYS CD 1 1 17 9366 1 1 18 LYS CE C 3.833 -6.793 6.061 1.00 . A A . 62 LYS CE 1 1 17 9367 1 1 18 LYS CG C 4.030 -4.406 5.345 1.00 . A A . 62 LYS CG 1 1 17 9368 1 1 18 LYS H H 2.804 -1.491 2.750 1.00 . A A . 62 LYS H 1 1 17 9369 1 1 18 LYS HA H 4.332 -1.789 5.302 1.00 . A A . 62 LYS HA 1 1 17 9370 1 1 18 LYS HB2 H 2.358 -3.265 4.628 1.00 . A A . 62 LYS HB2 1 1 17 9371 1 1 18 LYS HB3 H 3.396 -3.914 3.358 1.00 . A A . 62 LYS HB3 1 1 17 9372 1 1 18 LYS HD2 H 2.962 -5.940 4.291 1.00 . A A . 62 LYS HD2 1 1 17 9373 1 1 18 LYS HD3 H 4.717 -6.107 4.231 1.00 . A A . 62 LYS HD3 1 1 17 9374 1 1 18 LYS HE2 H 3.190 -6.388 6.832 1.00 . A A . 62 LYS HE2 1 1 17 9375 1 1 18 LYS HE3 H 3.491 -7.771 5.760 1.00 . A A . 62 LYS HE3 1 1 17 9376 1 1 18 LYS HG2 H 5.079 -4.166 5.440 1.00 . A A . 62 LYS HG2 1 1 17 9377 1 1 18 LYS HG3 H 3.546 -4.299 6.304 1.00 . A A . 62 LYS HG3 1 1 17 9378 1 1 18 LYS HZ1 H 5.576 -5.915 6.786 1.00 . A A . 62 LYS HZ1 1 1 17 9379 1 1 18 LYS HZ2 H 5.286 -7.475 7.385 1.00 . A A . 62 LYS HZ2 1 1 17 9380 1 1 18 LYS HZ3 H 5.842 -7.268 5.793 1.00 . A A . 62 LYS HZ3 1 1 17 9381 1 1 18 LYS N N 3.281 -1.193 3.554 1.00 . A A . 62 LYS N 1 1 17 9382 1 1 18 LYS NZ N 5.240 -6.868 6.543 1.00 . A A . 62 LYS NZ 1 1 17 9383 1 1 18 LYS O O 5.519 -2.380 2.342 1.00 . A A . 62 LYS O 1 1 17 9384 1 1 19 ASP C C 8.389 -4.042 3.794 1.00 . A A . 63 ASP C 1 1 17 9385 1 1 19 ASP CA C 7.886 -2.608 3.601 1.00 . A A . 63 ASP CA 1 1 17 9386 1 1 19 ASP CB C 8.819 -1.615 4.293 1.00 . A A . 63 ASP CB 1 1 17 9387 1 1 19 ASP CG C 10.260 -1.874 3.849 1.00 . A A . 63 ASP CG 1 1 17 9388 1 1 19 ASP H H 6.513 -2.385 5.248 1.00 . A A . 63 ASP H 1 1 17 9389 1 1 19 ASP HA H 7.810 -2.373 2.552 1.00 . A A . 63 ASP HA 1 1 17 9390 1 1 19 ASP HB2 H 8.534 -0.608 4.025 1.00 . A A . 63 ASP HB2 1 1 17 9391 1 1 19 ASP HB3 H 8.746 -1.738 5.364 1.00 . A A . 63 ASP HB3 1 1 17 9392 1 1 19 ASP N N 6.565 -2.428 4.270 1.00 . A A . 63 ASP N 1 1 17 9393 1 1 19 ASP O O 8.491 -4.532 4.900 1.00 . A A . 63 ASP O 1 1 17 9394 1 1 19 ASP OD1 O 10.542 -1.682 2.678 1.00 . A A . 63 ASP OD1 1 1 17 9395 1 1 19 ASP OD2 O 11.057 -2.259 4.689 1.00 . A A . 63 ASP OD2 1 1 17 9396 1 1 20 GLN C C 10.279 -6.382 1.777 1.00 . A A . 64 GLN C 1 1 17 9397 1 1 20 GLN CA C 9.209 -6.117 2.841 1.00 . A A . 64 GLN CA 1 1 17 9398 1 1 20 GLN CB C 7.998 -7.052 2.630 1.00 . A A . 64 GLN CB 1 1 17 9399 1 1 20 GLN CD C 5.646 -7.176 1.780 1.00 . A A . 64 GLN CD 1 1 17 9400 1 1 20 GLN CG C 6.705 -6.256 2.394 1.00 . A A . 64 GLN CG 1 1 17 9401 1 1 20 GLN H H 8.621 -4.299 1.840 1.00 . A A . 64 GLN H 1 1 17 9402 1 1 20 GLN HA H 9.623 -6.277 3.825 1.00 . A A . 64 GLN HA 1 1 17 9403 1 1 20 GLN HB2 H 8.185 -7.683 1.774 1.00 . A A . 64 GLN HB2 1 1 17 9404 1 1 20 GLN HB3 H 7.877 -7.673 3.506 1.00 . A A . 64 GLN HB3 1 1 17 9405 1 1 20 GLN HE21 H 5.174 -8.020 3.516 1.00 . A A . 64 GLN HE21 1 1 17 9406 1 1 20 GLN HE22 H 4.306 -8.592 2.164 1.00 . A A . 64 GLN HE22 1 1 17 9407 1 1 20 GLN HG2 H 6.344 -5.870 3.336 1.00 . A A . 64 GLN HG2 1 1 17 9408 1 1 20 GLN HG3 H 6.901 -5.438 1.720 1.00 . A A . 64 GLN HG3 1 1 17 9409 1 1 20 GLN N N 8.707 -4.714 2.723 1.00 . A A . 64 GLN N 1 1 17 9410 1 1 20 GLN NE2 N 4.988 -7.997 2.551 1.00 . A A . 64 GLN NE2 1 1 17 9411 1 1 20 GLN O O 10.344 -5.712 0.766 1.00 . A A . 64 GLN O 1 1 17 9412 1 1 20 GLN OE1 O 5.418 -7.145 0.587 1.00 . A A . 64 GLN OE1 1 1 17 9413 1 1 21 LEU C C 11.631 -7.775 -0.393 1.00 . A A . 65 LEU C 1 1 17 9414 1 1 21 LEU CA C 12.200 -7.661 1.020 1.00 . A A . 65 LEU CA 1 1 17 9415 1 1 21 LEU CB C 12.771 -9.005 1.474 1.00 . A A . 65 LEU CB 1 1 17 9416 1 1 21 LEU CD1 C 14.991 -8.633 0.391 1.00 . A A . 65 LEU CD1 1 1 17 9417 1 1 21 LEU CD2 C 14.162 -10.957 0.774 1.00 . A A . 65 LEU CD2 1 1 17 9418 1 1 21 LEU CG C 13.751 -9.526 0.421 1.00 . A A . 65 LEU CG 1 1 17 9419 1 1 21 LEU H H 11.054 -7.872 2.833 1.00 . A A . 65 LEU H 1 1 17 9420 1 1 21 LEU HA H 12.965 -6.914 1.050 1.00 . A A . 65 LEU HA 1 1 17 9421 1 1 21 LEU HB2 H 13.287 -8.877 2.415 1.00 . A A . 65 LEU HB2 1 1 17 9422 1 1 21 LEU HB3 H 11.967 -9.714 1.598 1.00 . A A . 65 LEU HB3 1 1 17 9423 1 1 21 LEU HD11 H 14.991 -7.987 1.256 1.00 . A A . 65 LEU HD11 1 1 17 9424 1 1 21 LEU HD12 H 15.879 -9.248 0.401 1.00 . A A . 65 LEU HD12 1 1 17 9425 1 1 21 LEU HD13 H 14.981 -8.032 -0.507 1.00 . A A . 65 LEU HD13 1 1 17 9426 1 1 21 LEU HD21 H 14.117 -11.091 1.845 1.00 . A A . 65 LEU HD21 1 1 17 9427 1 1 21 LEU HD22 H 13.489 -11.653 0.296 1.00 . A A . 65 LEU HD22 1 1 17 9428 1 1 21 LEU HD23 H 15.170 -11.137 0.431 1.00 . A A . 65 LEU HD23 1 1 17 9429 1 1 21 LEU HG H 13.276 -9.515 -0.549 1.00 . A A . 65 LEU HG 1 1 17 9430 1 1 21 LEU N N 11.124 -7.350 2.006 1.00 . A A . 65 LEU N 1 1 17 9431 1 1 21 LEU O O 11.734 -6.867 -1.194 1.00 . A A . 65 LEU O 1 1 17 9432 1 1 22 GLN C C 9.850 -7.829 -2.606 1.00 . A A . 66 GLN C 1 1 17 9433 1 1 22 GLN CA C 10.469 -9.118 -2.056 1.00 . A A . 66 GLN CA 1 1 17 9434 1 1 22 GLN CB C 9.392 -10.183 -1.855 1.00 . A A . 66 GLN CB 1 1 17 9435 1 1 22 GLN CD C 7.322 -10.775 -0.587 1.00 . A A . 66 GLN CD 1 1 17 9436 1 1 22 GLN CG C 8.445 -9.748 -0.734 1.00 . A A . 66 GLN CG 1 1 17 9437 1 1 22 GLN H H 11.000 -9.601 -0.024 1.00 . A A . 66 GLN H 1 1 17 9438 1 1 22 GLN HA H 11.226 -9.487 -2.730 1.00 . A A . 66 GLN HA 1 1 17 9439 1 1 22 GLN HB2 H 8.833 -10.307 -2.771 1.00 . A A . 66 GLN HB2 1 1 17 9440 1 1 22 GLN HB3 H 9.857 -11.120 -1.588 1.00 . A A . 66 GLN HB3 1 1 17 9441 1 1 22 GLN HE21 H 8.441 -12.298 -1.197 1.00 . A A . 66 GLN HE21 1 1 17 9442 1 1 22 GLN HE22 H 6.839 -12.690 -0.792 1.00 . A A . 66 GLN HE22 1 1 17 9443 1 1 22 GLN HG2 H 8.996 -9.678 0.193 1.00 . A A . 66 GLN HG2 1 1 17 9444 1 1 22 GLN HG3 H 8.021 -8.785 -0.975 1.00 . A A . 66 GLN HG3 1 1 17 9445 1 1 22 GLN N N 11.048 -8.894 -0.696 1.00 . A A . 66 GLN N 1 1 17 9446 1 1 22 GLN NE2 N 7.553 -12.024 -0.883 1.00 . A A . 66 GLN NE2 1 1 17 9447 1 1 22 GLN O O 9.883 -7.572 -3.793 1.00 . A A . 66 GLN O 1 1 17 9448 1 1 22 GLN OE1 O 6.221 -10.436 -0.199 1.00 . A A . 66 GLN OE1 1 1 17 9449 1 1 23 SER C C 7.872 -5.094 -1.100 1.00 . A A . 67 SER C 1 1 17 9450 1 1 23 SER CA C 8.663 -5.749 -2.233 1.00 . A A . 67 SER CA 1 1 17 9451 1 1 23 SER CB C 7.728 -6.164 -3.369 1.00 . A A . 67 SER CB 1 1 17 9452 1 1 23 SER H H 9.268 -7.246 -0.800 1.00 . A A . 67 SER H 1 1 17 9453 1 1 23 SER HA H 9.420 -5.076 -2.604 1.00 . A A . 67 SER HA 1 1 17 9454 1 1 23 SER HB2 H 7.774 -7.231 -3.505 1.00 . A A . 67 SER HB2 1 1 17 9455 1 1 23 SER HB3 H 6.715 -5.878 -3.121 1.00 . A A . 67 SER HB3 1 1 17 9456 1 1 23 SER HG H 8.203 -4.580 -4.395 1.00 . A A . 67 SER HG 1 1 17 9457 1 1 23 SER N N 9.285 -7.019 -1.755 1.00 . A A . 67 SER N 1 1 17 9458 1 1 23 SER O O 8.157 -5.296 0.061 1.00 . A A . 67 SER O 1 1 17 9459 1 1 23 SER OG O 8.136 -5.521 -4.570 1.00 . A A . 67 SER OG 1 1 17 9460 1 1 24 TYR C C 4.579 -3.803 -0.664 1.00 . A A . 68 TYR C 1 1 17 9461 1 1 24 TYR CA C 6.072 -3.649 -0.366 1.00 . A A . 68 TYR CA 1 1 17 9462 1 1 24 TYR CB C 6.490 -2.179 -0.409 1.00 . A A . 68 TYR CB 1 1 17 9463 1 1 24 TYR CD1 C 6.734 -1.582 -2.843 1.00 . A A . 68 TYR CD1 1 1 17 9464 1 1 24 TYR CD2 C 4.729 -0.886 -1.673 1.00 . A A . 68 TYR CD2 1 1 17 9465 1 1 24 TYR CE1 C 6.260 -0.981 -4.015 1.00 . A A . 68 TYR CE1 1 1 17 9466 1 1 24 TYR CE2 C 4.254 -0.284 -2.845 1.00 . A A . 68 TYR CE2 1 1 17 9467 1 1 24 TYR CG C 5.970 -1.535 -1.673 1.00 . A A . 68 TYR CG 1 1 17 9468 1 1 24 TYR CZ C 5.020 -0.332 -4.016 1.00 . A A . 68 TYR CZ 1 1 17 9469 1 1 24 TYR H H 6.665 -4.163 -2.373 1.00 . A A . 68 TYR H 1 1 17 9470 1 1 24 TYR HA H 6.306 -4.068 0.600 1.00 . A A . 68 TYR HA 1 1 17 9471 1 1 24 TYR HB2 H 6.090 -1.662 0.452 1.00 . A A . 68 TYR HB2 1 1 17 9472 1 1 24 TYR HB3 H 7.567 -2.117 -0.393 1.00 . A A . 68 TYR HB3 1 1 17 9473 1 1 24 TYR HD1 H 7.692 -2.082 -2.842 1.00 . A A . 68 TYR HD1 1 1 17 9474 1 1 24 TYR HD2 H 4.138 -0.849 -0.769 1.00 . A A . 68 TYR HD2 1 1 17 9475 1 1 24 TYR HE1 H 6.851 -1.018 -4.918 1.00 . A A . 68 TYR HE1 1 1 17 9476 1 1 24 TYR HE2 H 3.298 0.219 -2.846 1.00 . A A . 68 TYR HE2 1 1 17 9477 1 1 24 TYR HH H 4.313 -0.437 -5.786 1.00 . A A . 68 TYR HH 1 1 17 9478 1 1 24 TYR N N 6.880 -4.312 -1.429 1.00 . A A . 68 TYR N 1 1 17 9479 1 1 24 TYR O O 4.161 -3.833 -1.804 1.00 . A A . 68 TYR O 1 1 17 9480 1 1 24 TYR OH O 4.552 0.260 -5.171 1.00 . A A . 68 TYR OH 1 1 17 9481 1 1 25 ILE C C 1.529 -3.172 1.108 1.00 . A A . 69 ILE C 1 1 17 9482 1 1 25 ILE CA C 2.305 -4.068 0.140 1.00 . A A . 69 ILE CA 1 1 17 9483 1 1 25 ILE CB C 2.029 -5.548 0.414 1.00 . A A . 69 ILE CB 1 1 17 9484 1 1 25 ILE CD1 C 1.807 -7.771 -0.704 1.00 . A A . 69 ILE CD1 1 1 17 9485 1 1 25 ILE CG1 C 2.355 -6.351 -0.846 1.00 . A A . 69 ILE CG1 1 1 17 9486 1 1 25 ILE CG2 C 0.555 -5.748 0.779 1.00 . A A . 69 ILE CG2 1 1 17 9487 1 1 25 ILE H H 4.136 -3.884 1.266 1.00 . A A . 69 ILE H 1 1 17 9488 1 1 25 ILE HA H 2.048 -3.832 -0.880 1.00 . A A . 69 ILE HA 1 1 17 9489 1 1 25 ILE HB H 2.652 -5.887 1.229 1.00 . A A . 69 ILE HB 1 1 17 9490 1 1 25 ILE HD11 H 2.133 -8.188 0.237 1.00 . A A . 69 ILE HD11 1 1 17 9491 1 1 25 ILE HD12 H 0.728 -7.744 -0.733 1.00 . A A . 69 ILE HD12 1 1 17 9492 1 1 25 ILE HD13 H 2.175 -8.380 -1.515 1.00 . A A . 69 ILE HD13 1 1 17 9493 1 1 25 ILE HG12 H 1.899 -5.872 -1.702 1.00 . A A . 69 ILE HG12 1 1 17 9494 1 1 25 ILE HG13 H 3.424 -6.391 -0.982 1.00 . A A . 69 ILE HG13 1 1 17 9495 1 1 25 ILE HG21 H -0.068 -5.380 -0.023 1.00 . A A . 69 ILE HG21 1 1 17 9496 1 1 25 ILE HG22 H 0.361 -6.799 0.932 1.00 . A A . 69 ILE HG22 1 1 17 9497 1 1 25 ILE HG23 H 0.332 -5.205 1.685 1.00 . A A . 69 ILE HG23 1 1 17 9498 1 1 25 ILE N N 3.774 -3.908 0.356 1.00 . A A . 69 ILE N 1 1 17 9499 1 1 25 ILE O O 1.734 -3.210 2.304 1.00 . A A . 69 ILE O 1 1 17 9500 1 1 26 CYS C C -1.293 -2.205 2.160 1.00 . A A . 70 CYS C 1 1 17 9501 1 1 26 CYS CA C -0.139 -1.459 1.486 1.00 . A A . 70 CYS CA 1 1 17 9502 1 1 26 CYS CB C -0.689 -0.380 0.558 1.00 . A A . 70 CYS CB 1 1 17 9503 1 1 26 CYS H H 0.495 -2.350 -0.370 1.00 . A A . 70 CYS H 1 1 17 9504 1 1 26 CYS HA H 0.500 -1.012 2.223 1.00 . A A . 70 CYS HA 1 1 17 9505 1 1 26 CYS HB2 H -1.230 -0.845 -0.249 1.00 . A A . 70 CYS HB2 1 1 17 9506 1 1 26 CYS HB3 H -1.353 0.261 1.116 1.00 . A A . 70 CYS HB3 1 1 17 9507 1 1 26 CYS N N 0.642 -2.365 0.598 1.00 . A A . 70 CYS N 1 1 17 9508 1 1 26 CYS O O -1.827 -3.160 1.632 1.00 . A A . 70 CYS O 1 1 17 9509 1 1 26 CYS SG S 0.670 0.603 -0.116 1.00 . A A . 70 CYS SG 1 1 17 9510 1 1 27 PHE C C -4.026 -1.476 4.057 1.00 . A A . 71 PHE C 1 1 17 9511 1 1 27 PHE CA C -2.819 -2.416 4.037 1.00 . A A . 71 PHE CA 1 1 17 9512 1 1 27 PHE CB C -2.310 -2.657 5.459 1.00 . A A . 71 PHE CB 1 1 17 9513 1 1 27 PHE CD1 C -0.925 -4.437 4.299 1.00 . A A . 71 PHE CD1 1 1 17 9514 1 1 27 PHE CD2 C -0.481 -3.934 6.630 1.00 . A A . 71 PHE CD2 1 1 17 9515 1 1 27 PHE CE1 C 0.090 -5.400 4.314 1.00 . A A . 71 PHE CE1 1 1 17 9516 1 1 27 PHE CE2 C 0.533 -4.899 6.643 1.00 . A A . 71 PHE CE2 1 1 17 9517 1 1 27 PHE CG C -1.212 -3.701 5.459 1.00 . A A . 71 PHE CG 1 1 17 9518 1 1 27 PHE CZ C 0.819 -5.632 5.486 1.00 . A A . 71 PHE CZ 1 1 17 9519 1 1 27 PHE H H -1.250 -0.978 3.719 1.00 . A A . 71 PHE H 1 1 17 9520 1 1 27 PHE HA H -3.076 -3.352 3.568 1.00 . A A . 71 PHE HA 1 1 17 9521 1 1 27 PHE HB2 H -1.922 -1.731 5.862 1.00 . A A . 71 PHE HB2 1 1 17 9522 1 1 27 PHE HB3 H -3.129 -3.001 6.075 1.00 . A A . 71 PHE HB3 1 1 17 9523 1 1 27 PHE HD1 H -1.484 -4.259 3.393 1.00 . A A . 71 PHE HD1 1 1 17 9524 1 1 27 PHE HD2 H -0.699 -3.369 7.524 1.00 . A A . 71 PHE HD2 1 1 17 9525 1 1 27 PHE HE1 H 0.311 -5.966 3.420 1.00 . A A . 71 PHE HE1 1 1 17 9526 1 1 27 PHE HE2 H 1.096 -5.078 7.547 1.00 . A A . 71 PHE HE2 1 1 17 9527 1 1 27 PHE HZ H 1.601 -6.376 5.497 1.00 . A A . 71 PHE HZ 1 1 17 9528 1 1 27 PHE N N -1.689 -1.758 3.322 1.00 . A A . 71 PHE N 1 1 17 9529 1 1 27 PHE O O -4.249 -0.754 5.008 1.00 . A A . 71 PHE O 1 1 17 9530 1 1 28 CYS C C -6.906 -0.834 4.153 1.00 . A A . 72 CYS C 1 1 17 9531 1 1 28 CYS CA C -5.987 -0.575 2.957 1.00 . A A . 72 CYS CA 1 1 17 9532 1 1 28 CYS CB C -6.698 -0.931 1.651 1.00 . A A . 72 CYS CB 1 1 17 9533 1 1 28 CYS H H -4.595 -2.061 2.253 1.00 . A A . 72 CYS H 1 1 17 9534 1 1 28 CYS HA H -5.677 0.458 2.936 1.00 . A A . 72 CYS HA 1 1 17 9535 1 1 28 CYS HB2 H -7.094 -1.932 1.720 1.00 . A A . 72 CYS HB2 1 1 17 9536 1 1 28 CYS HB3 H -7.506 -0.233 1.478 1.00 . A A . 72 CYS HB3 1 1 17 9537 1 1 28 CYS N N -4.799 -1.474 3.009 1.00 . A A . 72 CYS N 1 1 17 9538 1 1 28 CYS O O -6.503 -1.399 5.149 1.00 . A A . 72 CYS O 1 1 17 9539 1 1 28 CYS SG S -5.523 -0.844 0.276 1.00 . A A . 72 CYS SG 1 1 17 9540 1 1 29 LEU C C -10.215 -1.585 4.744 1.00 . A A . 73 LEU C 1 1 17 9541 1 1 29 LEU CA C -9.093 -0.641 5.187 1.00 . A A . 73 LEU CA 1 1 17 9542 1 1 29 LEU CB C -9.653 0.748 5.511 1.00 . A A . 73 LEU CB 1 1 17 9543 1 1 29 LEU CD1 C -9.116 3.188 5.640 1.00 . A A . 73 LEU CD1 1 1 17 9544 1 1 29 LEU CD2 C -7.541 1.508 6.612 1.00 . A A . 73 LEU CD2 1 1 17 9545 1 1 29 LEU CG C -8.526 1.784 5.473 1.00 . A A . 73 LEU CG 1 1 17 9546 1 1 29 LEU H H -8.444 0.032 3.244 1.00 . A A . 73 LEU H 1 1 17 9547 1 1 29 LEU HA H -8.576 -1.042 6.044 1.00 . A A . 73 LEU HA 1 1 17 9548 1 1 29 LEU HB2 H -10.408 1.010 4.784 1.00 . A A . 73 LEU HB2 1 1 17 9549 1 1 29 LEU HB3 H -10.092 0.736 6.497 1.00 . A A . 73 LEU HB3 1 1 17 9550 1 1 29 LEU HD11 H -9.727 3.218 6.530 1.00 . A A . 73 LEU HD11 1 1 17 9551 1 1 29 LEU HD12 H -8.314 3.906 5.730 1.00 . A A . 73 LEU HD12 1 1 17 9552 1 1 29 LEU HD13 H -9.720 3.431 4.778 1.00 . A A . 73 LEU HD13 1 1 17 9553 1 1 29 LEU HD21 H -7.325 0.450 6.652 1.00 . A A . 73 LEU HD21 1 1 17 9554 1 1 29 LEU HD22 H -6.626 2.056 6.438 1.00 . A A . 73 LEU HD22 1 1 17 9555 1 1 29 LEU HD23 H -7.975 1.823 7.549 1.00 . A A . 73 LEU HD23 1 1 17 9556 1 1 29 LEU HG H -8.011 1.722 4.524 1.00 . A A . 73 LEU HG 1 1 17 9557 1 1 29 LEU N N -8.141 -0.423 4.058 1.00 . A A . 73 LEU N 1 1 17 9558 1 1 29 LEU O O -10.205 -2.081 3.636 1.00 . A A . 73 LEU O 1 1 17 9559 1 1 30 PRO C C -13.111 -2.138 4.159 1.00 . A A . 74 PRO C 1 1 17 9560 1 1 30 PRO CA C -12.292 -2.701 5.323 1.00 . A A . 74 PRO CA 1 1 17 9561 1 1 30 PRO CB C -13.118 -2.715 6.613 1.00 . A A . 74 PRO CB 1 1 17 9562 1 1 30 PRO CD C -11.233 -1.249 6.982 1.00 . A A . 74 PRO CD 1 1 17 9563 1 1 30 PRO CG C -12.225 -2.145 7.672 1.00 . A A . 74 PRO CG 1 1 17 9564 1 1 30 PRO HA H -11.943 -3.693 5.097 1.00 . A A . 74 PRO HA 1 1 17 9565 1 1 30 PRO HB2 H -14.002 -2.103 6.495 1.00 . A A . 74 PRO HB2 1 1 17 9566 1 1 30 PRO HB3 H -13.392 -3.727 6.870 1.00 . A A . 74 PRO HB3 1 1 17 9567 1 1 30 PRO HD2 H -11.598 -0.231 6.958 1.00 . A A . 74 PRO HD2 1 1 17 9568 1 1 30 PRO HD3 H -10.271 -1.301 7.466 1.00 . A A . 74 PRO HD3 1 1 17 9569 1 1 30 PRO HG2 H -12.811 -1.573 8.378 1.00 . A A . 74 PRO HG2 1 1 17 9570 1 1 30 PRO HG3 H -11.703 -2.939 8.182 1.00 . A A . 74 PRO HG3 1 1 17 9571 1 1 30 PRO N N -11.151 -1.804 5.631 1.00 . A A . 74 PRO N 1 1 17 9572 1 1 30 PRO O O -13.967 -2.803 3.609 1.00 . A A . 74 PRO O 1 1 17 9573 1 1 31 ALA C C -12.973 -0.694 1.315 1.00 . A A . 75 ALA C 1 1 17 9574 1 1 31 ALA CA C -13.614 -0.308 2.651 1.00 . A A . 75 ALA CA 1 1 17 9575 1 1 31 ALA CB C -13.516 1.201 2.877 1.00 . A A . 75 ALA CB 1 1 17 9576 1 1 31 ALA H H -12.159 -0.400 4.238 1.00 . A A . 75 ALA H 1 1 17 9577 1 1 31 ALA HA H -14.647 -0.620 2.680 1.00 . A A . 75 ALA HA 1 1 17 9578 1 1 31 ALA HB1 H -12.484 1.475 3.035 1.00 . A A . 75 ALA HB1 1 1 17 9579 1 1 31 ALA HB2 H -13.898 1.719 2.010 1.00 . A A . 75 ALA HB2 1 1 17 9580 1 1 31 ALA HB3 H -14.099 1.473 3.744 1.00 . A A . 75 ALA HB3 1 1 17 9581 1 1 31 ALA N N -12.854 -0.917 3.781 1.00 . A A . 75 ALA N 1 1 17 9582 1 1 31 ALA O O -13.633 -0.767 0.298 1.00 . A A . 75 ALA O 1 1 17 9583 1 1 32 PHE C C -10.390 -2.716 0.178 1.00 . A A . 76 PHE C 1 1 17 9584 1 1 32 PHE CA C -11.011 -1.323 0.042 1.00 . A A . 76 PHE CA 1 1 17 9585 1 1 32 PHE CB C -9.923 -0.266 -0.164 1.00 . A A . 76 PHE CB 1 1 17 9586 1 1 32 PHE CD1 C -10.562 1.574 1.434 1.00 . A A . 76 PHE CD1 1 1 17 9587 1 1 32 PHE CD2 C -10.943 1.907 -0.936 1.00 . A A . 76 PHE CD2 1 1 17 9588 1 1 32 PHE CE1 C -11.088 2.845 1.698 1.00 . A A . 76 PHE CE1 1 1 17 9589 1 1 32 PHE CE2 C -11.468 3.178 -0.674 1.00 . A A . 76 PHE CE2 1 1 17 9590 1 1 32 PHE CG C -10.490 1.106 0.117 1.00 . A A . 76 PHE CG 1 1 17 9591 1 1 32 PHE CZ C -11.541 3.647 0.644 1.00 . A A . 76 PHE CZ 1 1 17 9592 1 1 32 PHE H H -11.178 -0.878 2.139 1.00 . A A . 76 PHE H 1 1 17 9593 1 1 32 PHE HA H -11.708 -1.300 -0.777 1.00 . A A . 76 PHE HA 1 1 17 9594 1 1 32 PHE HB2 H -9.099 -0.460 0.508 1.00 . A A . 76 PHE HB2 1 1 17 9595 1 1 32 PHE HB3 H -9.573 -0.306 -1.187 1.00 . A A . 76 PHE HB3 1 1 17 9596 1 1 32 PHE HD1 H -10.213 0.955 2.248 1.00 . A A . 76 PHE HD1 1 1 17 9597 1 1 32 PHE HD2 H -10.888 1.546 -1.953 1.00 . A A . 76 PHE HD2 1 1 17 9598 1 1 32 PHE HE1 H -11.144 3.206 2.714 1.00 . A A . 76 PHE HE1 1 1 17 9599 1 1 32 PHE HE2 H -11.818 3.797 -1.486 1.00 . A A . 76 PHE HE2 1 1 17 9600 1 1 32 PHE HZ H -11.946 4.628 0.847 1.00 . A A . 76 PHE HZ 1 1 17 9601 1 1 32 PHE N N -11.692 -0.942 1.310 1.00 . A A . 76 PHE N 1 1 17 9602 1 1 32 PHE O O -10.458 -3.337 1.220 1.00 . A A . 76 PHE O 1 1 17 9603 1 1 33 GLU C C -7.913 -4.631 -1.671 1.00 . A A . 77 GLU C 1 1 17 9604 1 1 33 GLU CA C -9.164 -4.567 -0.791 1.00 . A A . 77 GLU CA 1 1 17 9605 1 1 33 GLU CB C -10.236 -5.523 -1.315 1.00 . A A . 77 GLU CB 1 1 17 9606 1 1 33 GLU CD C -9.788 -7.602 -0.003 1.00 . A A . 77 GLU CD 1 1 17 9607 1 1 33 GLU CG C -9.669 -6.943 -1.378 1.00 . A A . 77 GLU CG 1 1 17 9608 1 1 33 GLU H H -9.740 -2.699 -1.700 1.00 . A A . 77 GLU H 1 1 17 9609 1 1 33 GLU HA H -8.919 -4.813 0.231 1.00 . A A . 77 GLU HA 1 1 17 9610 1 1 33 GLU HB2 H -11.089 -5.505 -0.652 1.00 . A A . 77 GLU HB2 1 1 17 9611 1 1 33 GLU HB3 H -10.541 -5.216 -2.303 1.00 . A A . 77 GLU HB3 1 1 17 9612 1 1 33 GLU HG2 H -10.224 -7.519 -2.104 1.00 . A A . 77 GLU HG2 1 1 17 9613 1 1 33 GLU HG3 H -8.630 -6.902 -1.667 1.00 . A A . 77 GLU HG3 1 1 17 9614 1 1 33 GLU N N -9.785 -3.213 -0.867 1.00 . A A . 77 GLU N 1 1 17 9615 1 1 33 GLU O O -6.897 -5.173 -1.284 1.00 . A A . 77 GLU O 1 1 17 9616 1 1 33 GLU OE1 O -10.866 -8.081 0.311 1.00 . A A . 77 GLU OE1 1 1 17 9617 1 1 33 GLU OE2 O -8.801 -7.617 0.713 1.00 . A A . 77 GLU OE2 1 1 17 9618 1 1 34 GLY C C -5.534 -3.775 -2.962 1.00 . A A . 78 GLY C 1 1 17 9619 1 1 34 GLY CA C -6.794 -4.115 -3.757 1.00 . A A . 78 GLY CA 1 1 17 9620 1 1 34 GLY H H -8.808 -3.652 -3.147 1.00 . A A . 78 GLY H 1 1 17 9621 1 1 34 GLY HA2 H -6.696 -5.103 -4.186 1.00 . A A . 78 GLY HA2 1 1 17 9622 1 1 34 GLY HA3 H -6.924 -3.391 -4.547 1.00 . A A . 78 GLY HA3 1 1 17 9623 1 1 34 GLY N N -7.979 -4.083 -2.854 1.00 . A A . 78 GLY N 1 1 17 9624 1 1 34 GLY O O -5.600 -3.211 -1.887 1.00 . A A . 78 GLY O 1 1 17 9625 1 1 35 ARG C C -2.999 -2.298 -2.520 1.00 . A A . 79 ARG C 1 1 17 9626 1 1 35 ARG CA C -3.120 -3.806 -2.753 1.00 . A A . 79 ARG CA 1 1 17 9627 1 1 35 ARG CB C -2.004 -4.298 -3.676 1.00 . A A . 79 ARG CB 1 1 17 9628 1 1 35 ARG CD C -1.463 -6.255 -2.219 1.00 . A A . 79 ARG CD 1 1 17 9629 1 1 35 ARG CG C -0.912 -4.970 -2.842 1.00 . A A . 79 ARG CG 1 1 17 9630 1 1 35 ARG CZ C -1.891 -8.413 -3.231 1.00 . A A . 79 ARG CZ 1 1 17 9631 1 1 35 ARG H H -4.354 -4.566 -4.349 1.00 . A A . 79 ARG H 1 1 17 9632 1 1 35 ARG HA H -3.086 -4.338 -1.816 1.00 . A A . 79 ARG HA 1 1 17 9633 1 1 35 ARG HB2 H -2.409 -5.007 -4.383 1.00 . A A . 79 ARG HB2 1 1 17 9634 1 1 35 ARG HB3 H -1.582 -3.459 -4.209 1.00 . A A . 79 ARG HB3 1 1 17 9635 1 1 35 ARG HD2 H -0.957 -6.465 -1.287 1.00 . A A . 79 ARG HD2 1 1 17 9636 1 1 35 ARG HD3 H -2.527 -6.171 -2.061 1.00 . A A . 79 ARG HD3 1 1 17 9637 1 1 35 ARG HE H -0.456 -7.199 -3.872 1.00 . A A . 79 ARG HE 1 1 17 9638 1 1 35 ARG HG2 H -0.071 -5.209 -3.477 1.00 . A A . 79 ARG HG2 1 1 17 9639 1 1 35 ARG HG3 H -0.593 -4.300 -2.058 1.00 . A A . 79 ARG HG3 1 1 17 9640 1 1 35 ARG HH11 H -1.248 -9.031 -1.440 1.00 . A A . 79 ARG HH11 1 1 17 9641 1 1 35 ARG HH12 H -2.382 -10.075 -2.230 1.00 . A A . 79 ARG HH12 1 1 17 9642 1 1 35 ARG HH21 H -2.701 -8.049 -5.026 1.00 . A A . 79 ARG HH21 1 1 17 9643 1 1 35 ARG HH22 H -3.206 -9.519 -4.261 1.00 . A A . 79 ARG HH22 1 1 17 9644 1 1 35 ARG N N -4.385 -4.112 -3.481 1.00 . A A . 79 ARG N 1 1 17 9645 1 1 35 ARG NE N -1.178 -7.319 -3.221 1.00 . A A . 79 ARG NE 1 1 17 9646 1 1 35 ARG NH1 N -1.837 -9.238 -2.222 1.00 . A A . 79 ARG NH1 1 1 17 9647 1 1 35 ARG NH2 N -2.659 -8.681 -4.252 1.00 . A A . 79 ARG NH2 1 1 17 9648 1 1 35 ARG O O -2.623 -1.853 -1.455 1.00 . A A . 79 ARG O 1 1 17 9649 1 1 36 ASN C C -4.601 0.556 -3.033 1.00 . A A . 80 ASN C 1 1 17 9650 1 1 36 ASN CA C -3.222 -0.029 -3.345 1.00 . A A . 80 ASN CA 1 1 17 9651 1 1 36 ASN CB C -2.717 0.485 -4.693 1.00 . A A . 80 ASN CB 1 1 17 9652 1 1 36 ASN CG C -1.409 -0.223 -5.052 1.00 . A A . 80 ASN CG 1 1 17 9653 1 1 36 ASN H H -3.621 -1.889 -4.360 1.00 . A A . 80 ASN H 1 1 17 9654 1 1 36 ASN HA H -2.519 0.220 -2.567 1.00 . A A . 80 ASN HA 1 1 17 9655 1 1 36 ASN HB2 H -3.457 0.283 -5.455 1.00 . A A . 80 ASN HB2 1 1 17 9656 1 1 36 ASN HB3 H -2.544 1.548 -4.632 1.00 . A A . 80 ASN HB3 1 1 17 9657 1 1 36 ASN HD21 H -0.472 1.460 -5.542 1.00 . A A . 80 ASN HD21 1 1 17 9658 1 1 36 ASN HD22 H 0.454 0.035 -5.697 1.00 . A A . 80 ASN HD22 1 1 17 9659 1 1 36 ASN N N -3.318 -1.509 -3.508 1.00 . A A . 80 ASN N 1 1 17 9660 1 1 36 ASN ND2 N -0.391 0.482 -5.465 1.00 . A A . 80 ASN ND2 1 1 17 9661 1 1 36 ASN O O -4.851 1.726 -3.240 1.00 . A A . 80 ASN O 1 1 17 9662 1 1 36 ASN OD1 O -1.311 -1.431 -4.956 1.00 . A A . 80 ASN OD1 1 1 17 9663 1 1 37 CYS C C -7.586 0.674 -3.498 1.00 . A A . 81 CYS C 1 1 17 9664 1 1 37 CYS CA C -6.865 0.256 -2.213 1.00 . A A . 81 CYS CA 1 1 17 9665 1 1 37 CYS CB C -6.649 1.474 -1.307 1.00 . A A . 81 CYS CB 1 1 17 9666 1 1 37 CYS H H -5.276 -1.192 -2.380 1.00 . A A . 81 CYS H 1 1 17 9667 1 1 37 CYS HA H -7.432 -0.496 -1.690 1.00 . A A . 81 CYS HA 1 1 17 9668 1 1 37 CYS HB2 H -6.364 2.324 -1.910 1.00 . A A . 81 CYS HB2 1 1 17 9669 1 1 37 CYS HB3 H -7.570 1.697 -0.788 1.00 . A A . 81 CYS HB3 1 1 17 9670 1 1 37 CYS N N -5.499 -0.251 -2.537 1.00 . A A . 81 CYS N 1 1 17 9671 1 1 37 CYS O O -8.643 1.271 -3.463 1.00 . A A . 81 CYS O 1 1 17 9672 1 1 37 CYS SG S -5.345 1.131 -0.096 1.00 . A A . 81 CYS SG 1 1 17 9673 1 1 38 GLU C C -9.013 0.033 -6.069 1.00 . A A . 82 GLU C 1 1 17 9674 1 1 38 GLU CA C -7.667 0.749 -5.920 1.00 . A A . 82 GLU CA 1 1 17 9675 1 1 38 GLU CB C -6.684 0.294 -7.003 1.00 . A A . 82 GLU CB 1 1 17 9676 1 1 38 GLU CD C -6.377 0.019 -9.468 1.00 . A A . 82 GLU CD 1 1 17 9677 1 1 38 GLU CG C -7.406 0.199 -8.350 1.00 . A A . 82 GLU CG 1 1 17 9678 1 1 38 GLU H H -6.164 -0.113 -4.638 1.00 . A A . 82 GLU H 1 1 17 9679 1 1 38 GLU HA H -7.801 1.817 -5.970 1.00 . A A . 82 GLU HA 1 1 17 9680 1 1 38 GLU HB2 H -5.877 1.012 -7.077 1.00 . A A . 82 GLU HB2 1 1 17 9681 1 1 38 GLU HB3 H -6.282 -0.674 -6.741 1.00 . A A . 82 GLU HB3 1 1 17 9682 1 1 38 GLU HG2 H -8.078 -0.647 -8.337 1.00 . A A . 82 GLU HG2 1 1 17 9683 1 1 38 GLU HG3 H -7.968 1.104 -8.522 1.00 . A A . 82 GLU HG3 1 1 17 9684 1 1 38 GLU N N -7.018 0.367 -4.632 1.00 . A A . 82 GLU N 1 1 17 9685 1 1 38 GLU O O -9.857 0.435 -6.845 1.00 . A A . 82 GLU O 1 1 17 9686 1 1 38 GLU OE1 O -5.603 -0.919 -9.388 1.00 . A A . 82 GLU OE1 1 1 17 9687 1 1 38 GLU OE2 O -6.383 0.823 -10.385 1.00 . A A . 82 GLU OE2 1 1 17 9688 1 1 39 THR C C -11.486 -1.277 -4.352 1.00 . A A . 83 THR C 1 1 17 9689 1 1 39 THR CA C -10.517 -1.758 -5.435 1.00 . A A . 83 THR CA 1 1 17 9690 1 1 39 THR CB C -10.159 -3.229 -5.218 1.00 . A A . 83 THR CB 1 1 17 9691 1 1 39 THR CG2 C -11.019 -4.106 -6.130 1.00 . A A . 83 THR CG2 1 1 17 9692 1 1 39 THR H H -8.531 -1.333 -4.711 1.00 . A A . 83 THR H 1 1 17 9693 1 1 39 THR HA H -10.949 -1.625 -6.414 1.00 . A A . 83 THR HA 1 1 17 9694 1 1 39 THR HB H -10.344 -3.496 -4.190 1.00 . A A . 83 THR HB 1 1 17 9695 1 1 39 THR HG1 H -8.664 -3.276 -6.462 1.00 . A A . 83 THR HG1 1 1 17 9696 1 1 39 THR HG21 H -11.882 -3.546 -6.456 1.00 . A A . 83 THR HG21 1 1 17 9697 1 1 39 THR HG22 H -10.440 -4.409 -6.989 1.00 . A A . 83 THR HG22 1 1 17 9698 1 1 39 THR HG23 H -11.341 -4.982 -5.586 1.00 . A A . 83 THR HG23 1 1 17 9699 1 1 39 THR N N -9.223 -1.023 -5.331 1.00 . A A . 83 THR N 1 1 17 9700 1 1 39 THR O O -11.615 -1.885 -3.307 1.00 . A A . 83 THR O 1 1 17 9701 1 1 39 THR OG1 O -8.785 -3.429 -5.522 1.00 . A A . 83 THR OG1 1 1 17 9702 1 1 40 HIS C C -14.307 -0.637 -3.422 1.00 . A A . 84 HIS C 1 1 17 9703 1 1 40 HIS CA C -13.128 0.327 -3.575 1.00 . A A . 84 HIS CA 1 1 17 9704 1 1 40 HIS CB C -13.601 1.673 -4.127 1.00 . A A . 84 HIS CB 1 1 17 9705 1 1 40 HIS CD2 C -15.196 1.906 -2.051 1.00 . A A . 84 HIS CD2 1 1 17 9706 1 1 40 HIS CE1 C -16.681 3.210 -2.940 1.00 . A A . 84 HIS CE1 1 1 17 9707 1 1 40 HIS CG C -14.795 2.144 -3.342 1.00 . A A . 84 HIS CG 1 1 17 9708 1 1 40 HIS H H -12.049 0.284 -5.440 1.00 . A A . 84 HIS H 1 1 17 9709 1 1 40 HIS HA H -12.633 0.471 -2.628 1.00 . A A . 84 HIS HA 1 1 17 9710 1 1 40 HIS HB2 H -12.805 2.397 -4.041 1.00 . A A . 84 HIS HB2 1 1 17 9711 1 1 40 HIS HB3 H -13.876 1.559 -5.165 1.00 . A A . 84 HIS HB3 1 1 17 9712 1 1 40 HIS HD1 H -15.764 3.332 -4.804 1.00 . A A . 84 HIS HD1 1 1 17 9713 1 1 40 HIS HD2 H -14.667 1.291 -1.339 1.00 . A A . 84 HIS HD2 1 1 17 9714 1 1 40 HIS HE1 H -17.554 3.829 -3.083 1.00 . A A . 84 HIS HE1 1 1 17 9715 1 1 40 HIS N N -12.168 -0.190 -4.592 1.00 . A A . 84 HIS N 1 1 17 9716 1 1 40 HIS ND1 N -15.757 2.977 -3.891 1.00 . A A . 84 HIS ND1 1 1 17 9717 1 1 40 HIS NE2 N -16.387 2.581 -1.799 1.00 . A A . 84 HIS NE2 1 1 17 9718 1 1 40 HIS O O -15.204 -0.670 -4.242 1.00 . A A . 84 HIS O 1 1 17 9719 1 1 41 LYS C C -16.779 -1.682 -2.409 1.00 . A A . 85 LYS C 1 1 17 9720 1 1 41 LYS CA C -15.438 -2.381 -2.176 1.00 . A A . 85 LYS CA 1 1 17 9721 1 1 41 LYS CB C -15.314 -2.834 -0.720 1.00 . A A . 85 LYS CB 1 1 17 9722 1 1 41 LYS CD C -13.733 -3.796 0.960 1.00 . A A . 85 LYS CD 1 1 17 9723 1 1 41 LYS CE C -13.917 -5.270 1.327 1.00 . A A . 85 LYS CE 1 1 17 9724 1 1 41 LYS CG C -14.005 -3.604 -0.533 1.00 . A A . 85 LYS CG 1 1 17 9725 1 1 41 LYS H H -13.582 -1.378 -1.729 1.00 . A A . 85 LYS H 1 1 17 9726 1 1 41 LYS HA H -15.334 -3.228 -2.835 1.00 . A A . 85 LYS HA 1 1 17 9727 1 1 41 LYS HB2 H -15.319 -1.968 -0.073 1.00 . A A . 85 LYS HB2 1 1 17 9728 1 1 41 LYS HB3 H -16.146 -3.477 -0.472 1.00 . A A . 85 LYS HB3 1 1 17 9729 1 1 41 LYS HD2 H -12.721 -3.491 1.183 1.00 . A A . 85 LYS HD2 1 1 17 9730 1 1 41 LYS HD3 H -14.425 -3.196 1.531 1.00 . A A . 85 LYS HD3 1 1 17 9731 1 1 41 LYS HE2 H -14.898 -5.612 1.028 1.00 . A A . 85 LYS HE2 1 1 17 9732 1 1 41 LYS HE3 H -13.150 -5.872 0.866 1.00 . A A . 85 LYS HE3 1 1 17 9733 1 1 41 LYS HG2 H -14.085 -4.569 -1.013 1.00 . A A . 85 LYS HG2 1 1 17 9734 1 1 41 LYS HG3 H -13.193 -3.048 -0.976 1.00 . A A . 85 LYS HG3 1 1 17 9735 1 1 41 LYS HZ1 H -13.022 -4.668 3.108 1.00 . A A . 85 LYS HZ1 1 1 17 9736 1 1 41 LYS HZ2 H -14.676 -5.028 3.250 1.00 . A A . 85 LYS HZ2 1 1 17 9737 1 1 41 LYS HZ3 H -13.541 -6.283 3.106 1.00 . A A . 85 LYS HZ3 1 1 17 9738 1 1 41 LYS N N -14.315 -1.420 -2.378 1.00 . A A . 85 LYS N 1 1 17 9739 1 1 41 LYS NZ N -13.778 -5.316 2.809 1.00 . A A . 85 LYS NZ 1 1 17 9740 1 1 41 LYS O O -16.869 -0.501 -2.116 1.00 . A A . 85 LYS O 1 1 17 9741 1 1 41 LYS OXT O -17.694 -2.340 -2.875 1.00 . A A . 85 LYS OXT 1 1 18 9742 1 1 1 SER C C 11.470 8.117 -5.627 1.00 . A A . 45 SER C 1 1 18 9743 1 1 1 SER CA C 10.029 8.137 -6.145 1.00 . A A . 45 SER CA 1 1 18 9744 1 1 1 SER CB C 9.748 9.436 -6.899 1.00 . A A . 45 SER CB 1 1 18 9745 1 1 1 SER H1 H 9.365 8.852 -4.304 1.00 . A A . 45 SER H1 1 1 18 9746 1 1 1 SER H2 H 8.118 8.369 -5.348 1.00 . A A . 45 SER H2 1 1 18 9747 1 1 1 SER H3 H 9.062 7.199 -4.555 1.00 . A A . 45 SER H3 1 1 18 9748 1 1 1 SER HA H 9.848 7.291 -6.788 1.00 . A A . 45 SER HA 1 1 18 9749 1 1 1 SER HB2 H 9.997 9.312 -7.939 1.00 . A A . 45 SER HB2 1 1 18 9750 1 1 1 SER HB3 H 8.699 9.684 -6.809 1.00 . A A . 45 SER HB3 1 1 18 9751 1 1 1 SER HG H 10.104 11.313 -6.531 1.00 . A A . 45 SER HG 1 1 18 9752 1 1 1 SER N N 9.071 8.139 -5.002 1.00 . A A . 45 SER N 1 1 18 9753 1 1 1 SER O O 11.864 8.942 -4.827 1.00 . A A . 45 SER O 1 1 18 9754 1 1 1 SER OG O 10.543 10.479 -6.349 1.00 . A A . 45 SER OG 1 1 18 9755 1 1 2 ASP C C 13.721 6.797 -4.113 1.00 . A A . 46 ASP C 1 1 18 9756 1 1 2 ASP CA C 13.674 7.108 -5.611 1.00 . A A . 46 ASP CA 1 1 18 9757 1 1 2 ASP CB C 14.255 8.495 -5.890 1.00 . A A . 46 ASP CB 1 1 18 9758 1 1 2 ASP CG C 15.385 8.379 -6.912 1.00 . A A . 46 ASP CG 1 1 18 9759 1 1 2 ASP H H 11.921 6.525 -6.722 1.00 . A A . 46 ASP H 1 1 18 9760 1 1 2 ASP HA H 14.217 6.362 -6.169 1.00 . A A . 46 ASP HA 1 1 18 9761 1 1 2 ASP HB2 H 13.479 9.138 -6.280 1.00 . A A . 46 ASP HB2 1 1 18 9762 1 1 2 ASP HB3 H 14.642 8.914 -4.973 1.00 . A A . 46 ASP HB3 1 1 18 9763 1 1 2 ASP N N 12.259 7.180 -6.078 1.00 . A A . 46 ASP N 1 1 18 9764 1 1 2 ASP O O 14.168 7.598 -3.316 1.00 . A A . 46 ASP O 1 1 18 9765 1 1 2 ASP OD1 O 15.215 7.648 -7.874 1.00 . A A . 46 ASP OD1 1 1 18 9766 1 1 2 ASP OD2 O 16.403 9.023 -6.717 1.00 . A A . 46 ASP OD2 1 1 18 9767 1 1 3 GLY C C 13.125 3.763 -2.129 1.00 . A A . 47 GLY C 1 1 18 9768 1 1 3 GLY CA C 13.283 5.276 -2.278 1.00 . A A . 47 GLY CA 1 1 18 9769 1 1 3 GLY H H 12.909 5.005 -4.380 1.00 . A A . 47 GLY H 1 1 18 9770 1 1 3 GLY HA2 H 14.223 5.587 -1.842 1.00 . A A . 47 GLY HA2 1 1 18 9771 1 1 3 GLY HA3 H 12.470 5.772 -1.771 1.00 . A A . 47 GLY HA3 1 1 18 9772 1 1 3 GLY N N 13.264 5.638 -3.723 1.00 . A A . 47 GLY N 1 1 18 9773 1 1 3 GLY O O 14.068 3.056 -1.837 1.00 . A A . 47 GLY O 1 1 18 9774 1 1 4 ASP C C 10.219 1.473 -2.264 1.00 . A A . 48 ASP C 1 1 18 9775 1 1 4 ASP CA C 11.716 1.789 -2.200 1.00 . A A . 48 ASP CA 1 1 18 9776 1 1 4 ASP CB C 12.286 1.423 -0.830 1.00 . A A . 48 ASP CB 1 1 18 9777 1 1 4 ASP CG C 13.602 0.665 -1.010 1.00 . A A . 48 ASP CG 1 1 18 9778 1 1 4 ASP H H 11.189 3.848 -2.565 1.00 . A A . 48 ASP H 1 1 18 9779 1 1 4 ASP HA H 12.247 1.260 -2.975 1.00 . A A . 48 ASP HA 1 1 18 9780 1 1 4 ASP HB2 H 12.462 2.325 -0.261 1.00 . A A . 48 ASP HB2 1 1 18 9781 1 1 4 ASP HB3 H 11.581 0.797 -0.302 1.00 . A A . 48 ASP HB3 1 1 18 9782 1 1 4 ASP N N 11.936 3.260 -2.329 1.00 . A A . 48 ASP N 1 1 18 9783 1 1 4 ASP O O 9.682 1.180 -3.313 1.00 . A A . 48 ASP O 1 1 18 9784 1 1 4 ASP OD1 O 13.700 -0.096 -1.958 1.00 . A A . 48 ASP OD1 1 1 18 9785 1 1 4 ASP OD2 O 14.490 0.858 -0.196 1.00 . A A . 48 ASP OD2 1 1 18 9786 1 1 5 GLN C C 7.325 2.322 -0.383 1.00 . A A . 49 GLN C 1 1 18 9787 1 1 5 GLN CA C 8.080 1.234 -1.149 1.00 . A A . 49 GLN CA 1 1 18 9788 1 1 5 GLN CB C 7.941 -0.112 -0.442 1.00 . A A . 49 GLN CB 1 1 18 9789 1 1 5 GLN CD C 9.178 -2.237 0.011 1.00 . A A . 49 GLN CD 1 1 18 9790 1 1 5 GLN CG C 8.973 -1.102 -0.994 1.00 . A A . 49 GLN CG 1 1 18 9791 1 1 5 GLN H H 9.993 1.771 -0.313 1.00 . A A . 49 GLN H 1 1 18 9792 1 1 5 GLN HA H 7.712 1.157 -2.154 1.00 . A A . 49 GLN HA 1 1 18 9793 1 1 5 GLN HB2 H 8.101 0.025 0.613 1.00 . A A . 49 GLN HB2 1 1 18 9794 1 1 5 GLN HB3 H 6.948 -0.501 -0.608 1.00 . A A . 49 GLN HB3 1 1 18 9795 1 1 5 GLN HE21 H 10.404 -1.177 1.162 1.00 . A A . 49 GLN HE21 1 1 18 9796 1 1 5 GLN HE22 H 10.096 -2.769 1.691 1.00 . A A . 49 GLN HE22 1 1 18 9797 1 1 5 GLN HG2 H 8.618 -1.509 -1.930 1.00 . A A . 49 GLN HG2 1 1 18 9798 1 1 5 GLN HG3 H 9.913 -0.597 -1.156 1.00 . A A . 49 GLN HG3 1 1 18 9799 1 1 5 GLN N N 9.542 1.531 -1.150 1.00 . A A . 49 GLN N 1 1 18 9800 1 1 5 GLN NE2 N 9.956 -2.045 1.040 1.00 . A A . 49 GLN NE2 1 1 18 9801 1 1 5 GLN O O 6.478 3.004 -0.926 1.00 . A A . 49 GLN O 1 1 18 9802 1 1 5 GLN OE1 O 8.625 -3.307 -0.142 1.00 . A A . 49 GLN OE1 1 1 18 9803 1 1 6 CYS C C 7.598 4.903 1.463 1.00 . A A . 50 CYS C 1 1 18 9804 1 1 6 CYS CA C 6.934 3.540 1.679 1.00 . A A . 50 CYS CA 1 1 18 9805 1 1 6 CYS CB C 7.096 3.096 3.134 1.00 . A A . 50 CYS CB 1 1 18 9806 1 1 6 CYS H H 8.316 1.931 1.291 1.00 . A A . 50 CYS H 1 1 18 9807 1 1 6 CYS HA H 5.888 3.582 1.421 1.00 . A A . 50 CYS HA 1 1 18 9808 1 1 6 CYS HB2 H 8.095 2.715 3.284 1.00 . A A . 50 CYS HB2 1 1 18 9809 1 1 6 CYS HB3 H 6.933 3.941 3.788 1.00 . A A . 50 CYS HB3 1 1 18 9810 1 1 6 CYS N N 7.629 2.492 0.875 1.00 . A A . 50 CYS N 1 1 18 9811 1 1 6 CYS O O 7.798 5.660 2.392 1.00 . A A . 50 CYS O 1 1 18 9812 1 1 6 CYS SG S 5.893 1.799 3.513 1.00 . A A . 50 CYS SG 1 1 18 9813 1 1 7 ALA C C 7.574 7.537 -0.568 1.00 . A A . 51 ALA C 1 1 18 9814 1 1 7 ALA CA C 8.598 6.538 -0.022 1.00 . A A . 51 ALA CA 1 1 18 9815 1 1 7 ALA CB C 9.670 6.240 -1.070 1.00 . A A . 51 ALA CB 1 1 18 9816 1 1 7 ALA H H 7.778 4.602 -0.492 1.00 . A A . 51 ALA H 1 1 18 9817 1 1 7 ALA HA H 9.056 6.921 0.876 1.00 . A A . 51 ALA HA 1 1 18 9818 1 1 7 ALA HB1 H 10.183 5.326 -0.811 1.00 . A A . 51 ALA HB1 1 1 18 9819 1 1 7 ALA HB2 H 9.205 6.131 -2.039 1.00 . A A . 51 ALA HB2 1 1 18 9820 1 1 7 ALA HB3 H 10.379 7.055 -1.101 1.00 . A A . 51 ALA HB3 1 1 18 9821 1 1 7 ALA N N 7.945 5.224 0.245 1.00 . A A . 51 ALA N 1 1 18 9822 1 1 7 ALA O O 7.289 8.547 0.045 1.00 . A A . 51 ALA O 1 1 18 9823 1 1 8 SER C C 4.600 7.671 -2.075 1.00 . A A . 52 SER C 1 1 18 9824 1 1 8 SER CA C 6.019 8.202 -2.303 1.00 . A A . 52 SER CA 1 1 18 9825 1 1 8 SER CB C 6.341 8.245 -3.796 1.00 . A A . 52 SER CB 1 1 18 9826 1 1 8 SER H H 7.266 6.447 -2.199 1.00 . A A . 52 SER H 1 1 18 9827 1 1 8 SER HA H 6.127 9.185 -1.875 1.00 . A A . 52 SER HA 1 1 18 9828 1 1 8 SER HB2 H 7.088 7.504 -4.027 1.00 . A A . 52 SER HB2 1 1 18 9829 1 1 8 SER HB3 H 5.443 8.035 -4.363 1.00 . A A . 52 SER HB3 1 1 18 9830 1 1 8 SER HG H 6.371 10.180 -3.600 1.00 . A A . 52 SER HG 1 1 18 9831 1 1 8 SER N N 7.021 7.266 -1.719 1.00 . A A . 52 SER N 1 1 18 9832 1 1 8 SER O O 3.712 7.880 -2.879 1.00 . A A . 52 SER O 1 1 18 9833 1 1 8 SER OG O 6.840 9.533 -4.132 1.00 . A A . 52 SER OG 1 1 18 9834 1 1 9 SER C C 2.421 5.841 -1.983 1.00 . A A . 53 SER C 1 1 18 9835 1 1 9 SER CA C 3.019 6.444 -0.708 1.00 . A A . 53 SER CA 1 1 18 9836 1 1 9 SER CB C 2.200 7.648 -0.248 1.00 . A A . 53 SER CB 1 1 18 9837 1 1 9 SER H H 5.110 6.829 -0.350 1.00 . A A . 53 SER H 1 1 18 9838 1 1 9 SER HA H 3.061 5.705 0.075 1.00 . A A . 53 SER HA 1 1 18 9839 1 1 9 SER HB2 H 2.826 8.523 -0.219 1.00 . A A . 53 SER HB2 1 1 18 9840 1 1 9 SER HB3 H 1.385 7.814 -0.941 1.00 . A A . 53 SER HB3 1 1 18 9841 1 1 9 SER HG H 1.002 6.728 0.979 1.00 . A A . 53 SER HG 1 1 18 9842 1 1 9 SER N N 4.381 6.986 -0.986 1.00 . A A . 53 SER N 1 1 18 9843 1 1 9 SER O O 1.673 6.492 -2.686 1.00 . A A . 53 SER O 1 1 18 9844 1 1 9 SER OG O 1.687 7.397 1.054 1.00 . A A . 53 SER OG 1 1 18 9845 1 1 10 PRO C C 0.822 3.452 -3.218 1.00 . A A . 54 PRO C 1 1 18 9846 1 1 10 PRO CA C 2.270 3.902 -3.436 1.00 . A A . 54 PRO CA 1 1 18 9847 1 1 10 PRO CB C 3.194 2.693 -3.547 1.00 . A A . 54 PRO CB 1 1 18 9848 1 1 10 PRO CD C 3.670 3.772 -1.431 1.00 . A A . 54 PRO CD 1 1 18 9849 1 1 10 PRO CG C 3.684 2.449 -2.153 1.00 . A A . 54 PRO CG 1 1 18 9850 1 1 10 PRO HA H 2.355 4.520 -4.314 1.00 . A A . 54 PRO HA 1 1 18 9851 1 1 10 PRO HB2 H 2.644 1.834 -3.911 1.00 . A A . 54 PRO HB2 1 1 18 9852 1 1 10 PRO HB3 H 4.027 2.912 -4.197 1.00 . A A . 54 PRO HB3 1 1 18 9853 1 1 10 PRO HD2 H 3.283 3.649 -0.427 1.00 . A A . 54 PRO HD2 1 1 18 9854 1 1 10 PRO HD3 H 4.659 4.201 -1.408 1.00 . A A . 54 PRO HD3 1 1 18 9855 1 1 10 PRO HG2 H 3.029 1.748 -1.653 1.00 . A A . 54 PRO HG2 1 1 18 9856 1 1 10 PRO HG3 H 4.689 2.060 -2.179 1.00 . A A . 54 PRO HG3 1 1 18 9857 1 1 10 PRO N N 2.774 4.611 -2.235 1.00 . A A . 54 PRO N 1 1 18 9858 1 1 10 PRO O O 0.234 2.792 -4.051 1.00 . A A . 54 PRO O 1 1 18 9859 1 1 11 CYS C C -2.013 4.592 -1.474 1.00 . A A . 55 CYS C 1 1 18 9860 1 1 11 CYS CA C -1.151 3.369 -1.813 1.00 . A A . 55 CYS CA 1 1 18 9861 1 1 11 CYS CB C -0.997 2.394 -0.649 1.00 . A A . 55 CYS CB 1 1 18 9862 1 1 11 CYS H H 0.747 4.311 -1.431 1.00 . A A . 55 CYS H 1 1 18 9863 1 1 11 CYS HA H -1.560 2.851 -2.664 1.00 . A A . 55 CYS HA 1 1 18 9864 1 1 11 CYS HB2 H -0.494 2.885 0.174 1.00 . A A . 55 CYS HB2 1 1 18 9865 1 1 11 CYS HB3 H -1.963 2.030 -0.328 1.00 . A A . 55 CYS HB3 1 1 18 9866 1 1 11 CYS N N 0.251 3.791 -2.096 1.00 . A A . 55 CYS N 1 1 18 9867 1 1 11 CYS O O -1.518 5.696 -1.369 1.00 . A A . 55 CYS O 1 1 18 9868 1 1 11 CYS SG S 0.008 1.011 -1.247 1.00 . A A . 55 CYS SG 1 1 18 9869 1 1 12 GLN C C -5.234 5.237 -0.003 1.00 . A A . 56 GLN C 1 1 18 9870 1 1 12 GLN CA C -4.191 5.585 -1.061 1.00 . A A . 56 GLN CA 1 1 18 9871 1 1 12 GLN CB C -4.895 5.881 -2.389 1.00 . A A . 56 GLN CB 1 1 18 9872 1 1 12 GLN CD C -4.237 5.425 -4.754 1.00 . A A . 56 GLN CD 1 1 18 9873 1 1 12 GLN CG C -3.865 6.181 -3.476 1.00 . A A . 56 GLN CG 1 1 18 9874 1 1 12 GLN H H -3.693 3.534 -1.450 1.00 . A A . 56 GLN H 1 1 18 9875 1 1 12 GLN HA H -3.608 6.437 -0.756 1.00 . A A . 56 GLN HA 1 1 18 9876 1 1 12 GLN HB2 H -5.482 5.022 -2.680 1.00 . A A . 56 GLN HB2 1 1 18 9877 1 1 12 GLN HB3 H -5.545 6.734 -2.267 1.00 . A A . 56 GLN HB3 1 1 18 9878 1 1 12 GLN HE21 H -4.210 3.643 -3.871 1.00 . A A . 56 GLN HE21 1 1 18 9879 1 1 12 GLN HE22 H -4.597 3.630 -5.533 1.00 . A A . 56 GLN HE22 1 1 18 9880 1 1 12 GLN HG2 H -3.852 7.242 -3.676 1.00 . A A . 56 GLN HG2 1 1 18 9881 1 1 12 GLN HG3 H -2.891 5.865 -3.146 1.00 . A A . 56 GLN HG3 1 1 18 9882 1 1 12 GLN N N -3.306 4.419 -1.343 1.00 . A A . 56 GLN N 1 1 18 9883 1 1 12 GLN NE2 N -4.358 4.126 -4.716 1.00 . A A . 56 GLN NE2 1 1 18 9884 1 1 12 GLN O O -5.191 4.192 0.612 1.00 . A A . 56 GLN O 1 1 18 9885 1 1 12 GLN OE1 O -4.420 6.022 -5.795 1.00 . A A . 56 GLN OE1 1 1 18 9886 1 1 13 ASN C C -6.579 5.598 2.574 1.00 . A A . 57 ASN C 1 1 18 9887 1 1 13 ASN CA C -7.234 5.845 1.218 1.00 . A A . 57 ASN CA 1 1 18 9888 1 1 13 ASN CB C -7.957 4.595 0.720 1.00 . A A . 57 ASN CB 1 1 18 9889 1 1 13 ASN CG C -8.563 4.880 -0.655 1.00 . A A . 57 ASN CG 1 1 18 9890 1 1 13 ASN H H -6.195 6.947 -0.312 1.00 . A A . 57 ASN H 1 1 18 9891 1 1 13 ASN HA H -7.919 6.675 1.277 1.00 . A A . 57 ASN HA 1 1 18 9892 1 1 13 ASN HB2 H -7.254 3.778 0.644 1.00 . A A . 57 ASN HB2 1 1 18 9893 1 1 13 ASN HB3 H -8.743 4.333 1.411 1.00 . A A . 57 ASN HB3 1 1 18 9894 1 1 13 ASN HD21 H -7.380 3.592 -1.599 1.00 . A A . 57 ASN HD21 1 1 18 9895 1 1 13 ASN HD22 H -8.488 4.428 -2.589 1.00 . A A . 57 ASN HD22 1 1 18 9896 1 1 13 ASN N N -6.180 6.113 0.204 1.00 . A A . 57 ASN N 1 1 18 9897 1 1 13 ASN ND2 N -8.106 4.247 -1.701 1.00 . A A . 57 ASN ND2 1 1 18 9898 1 1 13 ASN O O -7.027 4.786 3.359 1.00 . A A . 57 ASN O 1 1 18 9899 1 1 13 ASN OD1 O -9.461 5.687 -0.780 1.00 . A A . 57 ASN OD1 1 1 18 9900 1 1 14 GLY C C -4.374 4.670 4.297 1.00 . A A . 58 GLY C 1 1 18 9901 1 1 14 GLY CA C -4.816 6.124 4.143 1.00 . A A . 58 GLY CA 1 1 18 9902 1 1 14 GLY H H -5.182 6.949 2.192 1.00 . A A . 58 GLY H 1 1 18 9903 1 1 14 GLY HA2 H -3.951 6.770 4.174 1.00 . A A . 58 GLY HA2 1 1 18 9904 1 1 14 GLY HA3 H -5.485 6.381 4.952 1.00 . A A . 58 GLY HA3 1 1 18 9905 1 1 14 GLY N N -5.518 6.301 2.846 1.00 . A A . 58 GLY N 1 1 18 9906 1 1 14 GLY O O -4.319 4.146 5.392 1.00 . A A . 58 GLY O 1 1 18 9907 1 1 15 GLY C C -2.219 2.567 3.974 1.00 . A A . 59 GLY C 1 1 18 9908 1 1 15 GLY CA C -3.608 2.591 3.342 1.00 . A A . 59 GLY CA 1 1 18 9909 1 1 15 GLY H H -4.090 4.435 2.332 1.00 . A A . 59 GLY H 1 1 18 9910 1 1 15 GLY HA2 H -4.308 2.048 3.968 1.00 . A A . 59 GLY HA2 1 1 18 9911 1 1 15 GLY HA3 H -3.563 2.135 2.363 1.00 . A A . 59 GLY HA3 1 1 18 9912 1 1 15 GLY N N -4.050 4.005 3.217 1.00 . A A . 59 GLY N 1 1 18 9913 1 1 15 GLY O O -1.345 3.324 3.599 1.00 . A A . 59 GLY O 1 1 18 9914 1 1 16 SER C C 0.300 0.868 4.667 1.00 . A A . 60 SER C 1 1 18 9915 1 1 16 SER CA C -0.653 1.649 5.566 1.00 . A A . 60 SER CA 1 1 18 9916 1 1 16 SER CB C -0.861 0.919 6.888 1.00 . A A . 60 SER CB 1 1 18 9917 1 1 16 SER H H -2.710 1.098 5.214 1.00 . A A . 60 SER H 1 1 18 9918 1 1 16 SER HA H -0.276 2.644 5.744 1.00 . A A . 60 SER HA 1 1 18 9919 1 1 16 SER HB2 H -1.050 -0.124 6.699 1.00 . A A . 60 SER HB2 1 1 18 9920 1 1 16 SER HB3 H 0.033 1.017 7.491 1.00 . A A . 60 SER HB3 1 1 18 9921 1 1 16 SER HG H -2.759 0.994 7.310 1.00 . A A . 60 SER HG 1 1 18 9922 1 1 16 SER N N -1.997 1.706 4.925 1.00 . A A . 60 SER N 1 1 18 9923 1 1 16 SER O O 0.092 -0.295 4.394 1.00 . A A . 60 SER O 1 1 18 9924 1 1 16 SER OG O -1.974 1.483 7.568 1.00 . A A . 60 SER OG 1 1 18 9925 1 1 17 CYS C C 3.243 -0.094 4.106 1.00 . A A . 61 CYS C 1 1 18 9926 1 1 17 CYS CA C 2.285 0.781 3.297 1.00 . A A . 61 CYS CA 1 1 18 9927 1 1 17 CYS CB C 3.037 1.882 2.537 1.00 . A A . 61 CYS CB 1 1 18 9928 1 1 17 CYS H H 1.483 2.438 4.420 1.00 . A A . 61 CYS H 1 1 18 9929 1 1 17 CYS HA H 1.738 0.172 2.600 1.00 . A A . 61 CYS HA 1 1 18 9930 1 1 17 CYS HB2 H 3.624 1.435 1.749 1.00 . A A . 61 CYS HB2 1 1 18 9931 1 1 17 CYS HB3 H 2.325 2.571 2.106 1.00 . A A . 61 CYS HB3 1 1 18 9932 1 1 17 CYS N N 1.336 1.498 4.194 1.00 . A A . 61 CYS N 1 1 18 9933 1 1 17 CYS O O 4.013 0.380 4.918 1.00 . A A . 61 CYS O 1 1 18 9934 1 1 17 CYS SG S 4.133 2.779 3.665 1.00 . A A . 61 CYS SG 1 1 18 9935 1 1 18 LYS C C 5.305 -2.656 3.749 1.00 . A A . 62 LYS C 1 1 18 9936 1 1 18 LYS CA C 4.110 -2.294 4.631 1.00 . A A . 62 LYS CA 1 1 18 9937 1 1 18 LYS CB C 3.271 -3.532 4.934 1.00 . A A . 62 LYS CB 1 1 18 9938 1 1 18 LYS CD C 3.198 -4.762 7.103 1.00 . A A . 62 LYS CD 1 1 18 9939 1 1 18 LYS CE C 4.103 -5.218 8.250 1.00 . A A . 62 LYS CE 1 1 18 9940 1 1 18 LYS CG C 4.048 -4.459 5.869 1.00 . A A . 62 LYS CG 1 1 18 9941 1 1 18 LYS H H 2.568 -1.742 3.223 1.00 . A A . 62 LYS H 1 1 18 9942 1 1 18 LYS HA H 4.440 -1.835 5.549 1.00 . A A . 62 LYS HA 1 1 18 9943 1 1 18 LYS HB2 H 2.347 -3.233 5.407 1.00 . A A . 62 LYS HB2 1 1 18 9944 1 1 18 LYS HB3 H 3.055 -4.050 4.016 1.00 . A A . 62 LYS HB3 1 1 18 9945 1 1 18 LYS HD2 H 2.662 -3.871 7.396 1.00 . A A . 62 LYS HD2 1 1 18 9946 1 1 18 LYS HD3 H 2.492 -5.546 6.869 1.00 . A A . 62 LYS HD3 1 1 18 9947 1 1 18 LYS HE2 H 3.623 -6.006 8.814 1.00 . A A . 62 LYS HE2 1 1 18 9948 1 1 18 LYS HE3 H 5.055 -5.552 7.868 1.00 . A A . 62 LYS HE3 1 1 18 9949 1 1 18 LYS HG2 H 4.279 -5.380 5.353 1.00 . A A . 62 LYS HG2 1 1 18 9950 1 1 18 LYS HG3 H 4.964 -3.978 6.176 1.00 . A A . 62 LYS HG3 1 1 18 9951 1 1 18 LYS HZ1 H 3.406 -3.457 9.113 1.00 . A A . 62 LYS HZ1 1 1 18 9952 1 1 18 LYS HZ2 H 4.538 -4.295 10.063 1.00 . A A . 62 LYS HZ2 1 1 18 9953 1 1 18 LYS HZ3 H 5.055 -3.423 8.703 1.00 . A A . 62 LYS HZ3 1 1 18 9954 1 1 18 LYS N N 3.200 -1.379 3.885 1.00 . A A . 62 LYS N 1 1 18 9955 1 1 18 LYS NZ N 4.289 -4.006 9.096 1.00 . A A . 62 LYS NZ 1 1 18 9956 1 1 18 LYS O O 5.173 -2.838 2.557 1.00 . A A . 62 LYS O 1 1 18 9957 1 1 19 ASP C C 8.007 -4.580 3.607 1.00 . A A . 63 ASP C 1 1 18 9958 1 1 19 ASP CA C 7.671 -3.090 3.503 1.00 . A A . 63 ASP CA 1 1 18 9959 1 1 19 ASP CB C 8.799 -2.247 4.100 1.00 . A A . 63 ASP CB 1 1 18 9960 1 1 19 ASP CG C 9.215 -2.834 5.450 1.00 . A A . 63 ASP CG 1 1 18 9961 1 1 19 ASP H H 6.558 -2.597 5.285 1.00 . A A . 63 ASP H 1 1 18 9962 1 1 19 ASP HA H 7.514 -2.811 2.474 1.00 . A A . 63 ASP HA 1 1 18 9963 1 1 19 ASP HB2 H 9.646 -2.251 3.428 1.00 . A A . 63 ASP HB2 1 1 18 9964 1 1 19 ASP HB3 H 8.456 -1.233 4.241 1.00 . A A . 63 ASP HB3 1 1 18 9965 1 1 19 ASP N N 6.470 -2.753 4.321 1.00 . A A . 63 ASP N 1 1 18 9966 1 1 19 ASP O O 8.240 -5.101 4.678 1.00 . A A . 63 ASP O 1 1 18 9967 1 1 19 ASP OD1 O 8.375 -2.893 6.332 1.00 . A A . 63 ASP OD1 1 1 18 9968 1 1 19 ASP OD2 O 10.367 -3.215 5.577 1.00 . A A . 63 ASP OD2 1 1 18 9969 1 1 20 GLN C C 9.385 -7.051 1.408 1.00 . A A . 64 GLN C 1 1 18 9970 1 1 20 GLN CA C 8.392 -6.720 2.527 1.00 . A A . 64 GLN CA 1 1 18 9971 1 1 20 GLN CB C 7.079 -7.514 2.341 1.00 . A A . 64 GLN CB 1 1 18 9972 1 1 20 GLN CD C 4.601 -7.377 2.605 1.00 . A A . 64 GLN CD 1 1 18 9973 1 1 20 GLN CG C 5.858 -6.589 2.230 1.00 . A A . 64 GLN CG 1 1 18 9974 1 1 20 GLN H H 7.872 -4.822 1.636 1.00 . A A . 64 GLN H 1 1 18 9975 1 1 20 GLN HA H 8.828 -6.967 3.483 1.00 . A A . 64 GLN HA 1 1 18 9976 1 1 20 GLN HB2 H 7.152 -8.107 1.442 1.00 . A A . 64 GLN HB2 1 1 18 9977 1 1 20 GLN HB3 H 6.947 -8.173 3.186 1.00 . A A . 64 GLN HB3 1 1 18 9978 1 1 20 GLN HE21 H 4.899 -7.188 4.561 1.00 . A A . 64 GLN HE21 1 1 18 9979 1 1 20 GLN HE22 H 3.505 -8.065 4.115 1.00 . A A . 64 GLN HE22 1 1 18 9980 1 1 20 GLN HG2 H 5.970 -5.753 2.905 1.00 . A A . 64 GLN HG2 1 1 18 9981 1 1 20 GLN HG3 H 5.762 -6.229 1.219 1.00 . A A . 64 GLN HG3 1 1 18 9982 1 1 20 GLN N N 8.050 -5.266 2.494 1.00 . A A . 64 GLN N 1 1 18 9983 1 1 20 GLN NE2 N 4.310 -7.558 3.864 1.00 . A A . 64 GLN NE2 1 1 18 9984 1 1 20 GLN O O 9.541 -6.309 0.459 1.00 . A A . 64 GLN O 1 1 18 9985 1 1 20 GLN OE1 O 3.877 -7.833 1.743 1.00 . A A . 64 GLN OE1 1 1 18 9986 1 1 21 LEU C C 10.464 -8.454 -0.920 1.00 . A A . 65 LEU C 1 1 18 9987 1 1 21 LEU CA C 11.066 -8.543 0.482 1.00 . A A . 65 LEU CA 1 1 18 9988 1 1 21 LEU CB C 11.440 -9.989 0.817 1.00 . A A . 65 LEU CB 1 1 18 9989 1 1 21 LEU CD1 C 13.809 -10.291 0.083 1.00 . A A . 65 LEU CD1 1 1 18 9990 1 1 21 LEU CD2 C 12.116 -12.062 -0.400 1.00 . A A . 65 LEU CD2 1 1 18 9991 1 1 21 LEU CG C 12.346 -10.554 -0.278 1.00 . A A . 65 LEU CG 1 1 18 9992 1 1 21 LEU H H 9.931 -8.734 2.304 1.00 . A A . 65 LEU H 1 1 18 9993 1 1 21 LEU HA H 11.936 -7.923 0.549 1.00 . A A . 65 LEU HA 1 1 18 9994 1 1 21 LEU HB2 H 11.961 -10.015 1.764 1.00 . A A . 65 LEU HB2 1 1 18 9995 1 1 21 LEU HB3 H 10.543 -10.587 0.884 1.00 . A A . 65 LEU HB3 1 1 18 9996 1 1 21 LEU HD11 H 13.857 -9.624 0.931 1.00 . A A . 65 LEU HD11 1 1 18 9997 1 1 21 LEU HD12 H 14.292 -11.224 0.331 1.00 . A A . 65 LEU HD12 1 1 18 9998 1 1 21 LEU HD13 H 14.312 -9.838 -0.760 1.00 . A A . 65 LEU HD13 1 1 18 9999 1 1 21 LEU HD21 H 11.079 -12.250 -0.633 1.00 . A A . 65 LEU HD21 1 1 18 10000 1 1 21 LEU HD22 H 12.740 -12.459 -1.189 1.00 . A A . 65 LEU HD22 1 1 18 10001 1 1 21 LEU HD23 H 12.368 -12.541 0.533 1.00 . A A . 65 LEU HD23 1 1 18 10002 1 1 21 LEU HG H 12.117 -10.075 -1.219 1.00 . A A . 65 LEU HG 1 1 18 10003 1 1 21 LEU N N 10.068 -8.158 1.523 1.00 . A A . 65 LEU N 1 1 18 10004 1 1 21 LEU O O 10.594 -7.456 -1.603 1.00 . A A . 65 LEU O 1 1 18 10005 1 1 22 GLN C C 8.650 -8.149 -3.092 1.00 . A A . 66 GLN C 1 1 18 10006 1 1 22 GLN CA C 9.214 -9.523 -2.716 1.00 . A A . 66 GLN CA 1 1 18 10007 1 1 22 GLN CB C 8.087 -10.553 -2.623 1.00 . A A . 66 GLN CB 1 1 18 10008 1 1 22 GLN CD C 6.330 -11.348 -1.034 1.00 . A A . 66 GLN CD 1 1 18 10009 1 1 22 GLN CG C 7.090 -10.124 -1.545 1.00 . A A . 66 GLN CG 1 1 18 10010 1 1 22 GLN H H 9.758 -10.286 -0.776 1.00 . A A . 66 GLN H 1 1 18 10011 1 1 22 GLN HA H 9.940 -9.843 -3.446 1.00 . A A . 66 GLN HA 1 1 18 10012 1 1 22 GLN HB2 H 7.582 -10.621 -3.576 1.00 . A A . 66 GLN HB2 1 1 18 10013 1 1 22 GLN HB3 H 8.501 -11.516 -2.364 1.00 . A A . 66 GLN HB3 1 1 18 10014 1 1 22 GLN HE21 H 4.926 -10.277 -0.127 1.00 . A A . 66 GLN HE21 1 1 18 10015 1 1 22 GLN HE22 H 4.753 -11.960 0.005 1.00 . A A . 66 GLN HE22 1 1 18 10016 1 1 22 GLN HG2 H 7.622 -9.661 -0.726 1.00 . A A . 66 GLN HG2 1 1 18 10017 1 1 22 GLN HG3 H 6.389 -9.417 -1.965 1.00 . A A . 66 GLN HG3 1 1 18 10018 1 1 22 GLN N N 9.826 -9.501 -1.351 1.00 . A A . 66 GLN N 1 1 18 10019 1 1 22 GLN NE2 N 5.246 -11.181 -0.327 1.00 . A A . 66 GLN NE2 1 1 18 10020 1 1 22 GLN O O 8.602 -7.787 -4.250 1.00 . A A . 66 GLN O 1 1 18 10021 1 1 22 GLN OE1 O 6.727 -12.470 -1.281 1.00 . A A . 66 GLN OE1 1 1 18 10022 1 1 23 SER C C 7.000 -5.459 -1.190 1.00 . A A . 67 SER C 1 1 18 10023 1 1 23 SER CA C 7.664 -6.035 -2.438 1.00 . A A . 67 SER CA 1 1 18 10024 1 1 23 SER CB C 6.626 -6.272 -3.535 1.00 . A A . 67 SER CB 1 1 18 10025 1 1 23 SER H H 8.270 -7.691 -1.197 1.00 . A A . 67 SER H 1 1 18 10026 1 1 23 SER HA H 8.439 -5.376 -2.795 1.00 . A A . 67 SER HA 1 1 18 10027 1 1 23 SER HB2 H 6.547 -7.327 -3.736 1.00 . A A . 67 SER HB2 1 1 18 10028 1 1 23 SER HB3 H 5.665 -5.898 -3.206 1.00 . A A . 67 SER HB3 1 1 18 10029 1 1 23 SER HG H 6.242 -5.354 -5.207 1.00 . A A . 67 SER HG 1 1 18 10030 1 1 23 SER N N 8.224 -7.383 -2.127 1.00 . A A . 67 SER N 1 1 18 10031 1 1 23 SER O O 7.325 -5.830 -0.084 1.00 . A A . 67 SER O 1 1 18 10032 1 1 23 SER OG O 7.032 -5.598 -4.719 1.00 . A A . 67 SER OG 1 1 18 10033 1 1 24 TYR C C 3.884 -4.236 -0.236 1.00 . A A . 68 TYR C 1 1 18 10034 1 1 24 TYR CA C 5.390 -3.974 -0.165 1.00 . A A . 68 TYR CA 1 1 18 10035 1 1 24 TYR CB C 5.697 -2.476 -0.227 1.00 . A A . 68 TYR CB 1 1 18 10036 1 1 24 TYR CD1 C 3.617 -1.732 -1.450 1.00 . A A . 68 TYR CD1 1 1 18 10037 1 1 24 TYR CD2 C 5.774 -1.386 -2.501 1.00 . A A . 68 TYR CD2 1 1 18 10038 1 1 24 TYR CE1 C 2.985 -1.149 -2.555 1.00 . A A . 68 TYR CE1 1 1 18 10039 1 1 24 TYR CE2 C 5.142 -0.801 -3.606 1.00 . A A . 68 TYR CE2 1 1 18 10040 1 1 24 TYR CG C 5.012 -1.851 -1.423 1.00 . A A . 68 TYR CG 1 1 18 10041 1 1 24 TYR CZ C 3.747 -0.683 -3.632 1.00 . A A . 68 TYR CZ 1 1 18 10042 1 1 24 TYR H H 5.816 -4.275 -2.257 1.00 . A A . 68 TYR H 1 1 18 10043 1 1 24 TYR HA H 5.800 -4.393 0.741 1.00 . A A . 68 TYR HA 1 1 18 10044 1 1 24 TYR HB2 H 5.342 -1.998 0.675 1.00 . A A . 68 TYR HB2 1 1 18 10045 1 1 24 TYR HB3 H 6.765 -2.337 -0.310 1.00 . A A . 68 TYR HB3 1 1 18 10046 1 1 24 TYR HD1 H 3.028 -2.090 -0.620 1.00 . A A . 68 TYR HD1 1 1 18 10047 1 1 24 TYR HD2 H 6.850 -1.477 -2.481 1.00 . A A . 68 TYR HD2 1 1 18 10048 1 1 24 TYR HE1 H 1.910 -1.057 -2.576 1.00 . A A . 68 TYR HE1 1 1 18 10049 1 1 24 TYR HE2 H 5.730 -0.440 -4.436 1.00 . A A . 68 TYR HE2 1 1 18 10050 1 1 24 TYR HH H 3.726 -0.157 -5.467 1.00 . A A . 68 TYR HH 1 1 18 10051 1 1 24 TYR N N 6.070 -4.560 -1.354 1.00 . A A . 68 TYR N 1 1 18 10052 1 1 24 TYR O O 3.300 -4.278 -1.300 1.00 . A A . 68 TYR O 1 1 18 10053 1 1 24 TYR OH O 3.125 -0.107 -4.721 1.00 . A A . 68 TYR OH 1 1 18 10054 1 1 25 ILE C C 1.075 -3.629 1.744 1.00 . A A . 69 ILE C 1 1 18 10055 1 1 25 ILE CA C 1.789 -4.682 0.896 1.00 . A A . 69 ILE CA 1 1 18 10056 1 1 25 ILE CB C 1.645 -6.069 1.513 1.00 . A A . 69 ILE CB 1 1 18 10057 1 1 25 ILE CD1 C 0.099 -8.007 1.654 1.00 . A A . 69 ILE CD1 1 1 18 10058 1 1 25 ILE CG1 C 0.181 -6.495 1.472 1.00 . A A . 69 ILE CG1 1 1 18 10059 1 1 25 ILE CG2 C 2.122 -6.040 2.965 1.00 . A A . 69 ILE CG2 1 1 18 10060 1 1 25 ILE H H 3.745 -4.382 1.739 1.00 . A A . 69 ILE H 1 1 18 10061 1 1 25 ILE HA H 1.401 -4.685 -0.111 1.00 . A A . 69 ILE HA 1 1 18 10062 1 1 25 ILE HB H 2.242 -6.774 0.954 1.00 . A A . 69 ILE HB 1 1 18 10063 1 1 25 ILE HD11 H 1.064 -8.380 1.965 1.00 . A A . 69 ILE HD11 1 1 18 10064 1 1 25 ILE HD12 H -0.637 -8.240 2.409 1.00 . A A . 69 ILE HD12 1 1 18 10065 1 1 25 ILE HD13 H -0.182 -8.467 0.720 1.00 . A A . 69 ILE HD13 1 1 18 10066 1 1 25 ILE HG12 H -0.360 -6.003 2.267 1.00 . A A . 69 ILE HG12 1 1 18 10067 1 1 25 ILE HG13 H -0.246 -6.224 0.519 1.00 . A A . 69 ILE HG13 1 1 18 10068 1 1 25 ILE HG21 H 3.117 -5.624 3.008 1.00 . A A . 69 ILE HG21 1 1 18 10069 1 1 25 ILE HG22 H 1.451 -5.431 3.552 1.00 . A A . 69 ILE HG22 1 1 18 10070 1 1 25 ILE HG23 H 2.134 -7.044 3.359 1.00 . A A . 69 ILE HG23 1 1 18 10071 1 1 25 ILE N N 3.254 -4.418 0.892 1.00 . A A . 69 ILE N 1 1 18 10072 1 1 25 ILE O O 1.386 -3.438 2.903 1.00 . A A . 69 ILE O 1 1 18 10073 1 1 26 CYS C C -1.855 -2.435 2.594 1.00 . A A . 70 CYS C 1 1 18 10074 1 1 26 CYS CA C -0.582 -1.884 1.952 1.00 . A A . 70 CYS CA 1 1 18 10075 1 1 26 CYS CB C -0.930 -0.817 0.929 1.00 . A A . 70 CYS CB 1 1 18 10076 1 1 26 CYS H H -0.099 -3.092 0.238 1.00 . A A . 70 CYS H 1 1 18 10077 1 1 26 CYS HA H 0.065 -1.464 2.696 1.00 . A A . 70 CYS HA 1 1 18 10078 1 1 26 CYS HB2 H -1.397 -1.278 0.073 1.00 . A A . 70 CYS HB2 1 1 18 10079 1 1 26 CYS HB3 H -1.605 -0.103 1.370 1.00 . A A . 70 CYS HB3 1 1 18 10080 1 1 26 CYS N N 0.132 -2.934 1.177 1.00 . A A . 70 CYS N 1 1 18 10081 1 1 26 CYS O O -2.733 -2.940 1.923 1.00 . A A . 70 CYS O 1 1 18 10082 1 1 26 CYS SG S 0.575 0.028 0.412 1.00 . A A . 70 CYS SG 1 1 18 10083 1 1 27 PHE C C -4.255 -1.710 4.551 1.00 . A A . 71 PHE C 1 1 18 10084 1 1 27 PHE CA C -3.197 -2.811 4.571 1.00 . A A . 71 PHE CA 1 1 18 10085 1 1 27 PHE CB C -2.769 -3.108 6.004 1.00 . A A . 71 PHE CB 1 1 18 10086 1 1 27 PHE CD1 C -0.617 -4.376 5.659 1.00 . A A . 71 PHE CD1 1 1 18 10087 1 1 27 PHE CD2 C -2.568 -5.582 6.448 1.00 . A A . 71 PHE CD2 1 1 18 10088 1 1 27 PHE CE1 C 0.128 -5.561 5.691 1.00 . A A . 71 PHE CE1 1 1 18 10089 1 1 27 PHE CE2 C -1.823 -6.766 6.480 1.00 . A A . 71 PHE CE2 1 1 18 10090 1 1 27 PHE CG C -1.965 -4.386 6.038 1.00 . A A . 71 PHE CG 1 1 18 10091 1 1 27 PHE CZ C -0.475 -6.755 6.102 1.00 . A A . 71 PHE CZ 1 1 18 10092 1 1 27 PHE H H -1.258 -1.893 4.408 1.00 . A A . 71 PHE H 1 1 18 10093 1 1 27 PHE HA H -3.566 -3.707 4.097 1.00 . A A . 71 PHE HA 1 1 18 10094 1 1 27 PHE HB2 H -2.166 -2.291 6.377 1.00 . A A . 71 PHE HB2 1 1 18 10095 1 1 27 PHE HB3 H -3.649 -3.220 6.620 1.00 . A A . 71 PHE HB3 1 1 18 10096 1 1 27 PHE HD1 H -0.152 -3.454 5.343 1.00 . A A . 71 PHE HD1 1 1 18 10097 1 1 27 PHE HD2 H -3.608 -5.590 6.740 1.00 . A A . 71 PHE HD2 1 1 18 10098 1 1 27 PHE HE1 H 1.168 -5.553 5.400 1.00 . A A . 71 PHE HE1 1 1 18 10099 1 1 27 PHE HE2 H -2.288 -7.688 6.796 1.00 . A A . 71 PHE HE2 1 1 18 10100 1 1 27 PHE HZ H 0.100 -7.670 6.126 1.00 . A A . 71 PHE HZ 1 1 18 10101 1 1 27 PHE N N -1.970 -2.319 3.888 1.00 . A A . 71 PHE N 1 1 18 10102 1 1 27 PHE O O -4.466 -1.018 5.527 1.00 . A A . 71 PHE O 1 1 18 10103 1 1 28 CYS C C -7.004 -0.641 4.420 1.00 . A A . 72 CYS C 1 1 18 10104 1 1 28 CYS CA C -5.936 -0.464 3.342 1.00 . A A . 72 CYS CA 1 1 18 10105 1 1 28 CYS CB C -6.551 -0.622 1.952 1.00 . A A . 72 CYS CB 1 1 18 10106 1 1 28 CYS H H -4.707 -2.096 2.665 1.00 . A A . 72 CYS H 1 1 18 10107 1 1 28 CYS HA H -5.477 0.508 3.427 1.00 . A A . 72 CYS HA 1 1 18 10108 1 1 28 CYS HB2 H -5.876 -1.183 1.321 1.00 . A A . 72 CYS HB2 1 1 18 10109 1 1 28 CYS HB3 H -7.494 -1.145 2.030 1.00 . A A . 72 CYS HB3 1 1 18 10110 1 1 28 CYS N N -4.905 -1.533 3.440 1.00 . A A . 72 CYS N 1 1 18 10111 1 1 28 CYS O O -6.781 -1.264 5.439 1.00 . A A . 72 CYS O 1 1 18 10112 1 1 28 CYS SG S -6.827 1.016 1.236 1.00 . A A . 72 CYS SG 1 1 18 10113 1 1 29 LEU C C -10.346 -1.140 4.672 1.00 . A A . 73 LEU C 1 1 18 10114 1 1 29 LEU CA C -9.251 -0.210 5.204 1.00 . A A . 73 LEU CA 1 1 18 10115 1 1 29 LEU CB C -9.777 1.218 5.376 1.00 . A A . 73 LEU CB 1 1 18 10116 1 1 29 LEU CD1 C -9.063 3.616 5.297 1.00 . A A . 73 LEU CD1 1 1 18 10117 1 1 29 LEU CD2 C -8.104 2.085 7.022 1.00 . A A . 73 LEU CD2 1 1 18 10118 1 1 29 LEU CG C -8.601 2.183 5.577 1.00 . A A . 73 LEU CG 1 1 18 10119 1 1 29 LEU H H -8.315 0.412 3.371 1.00 . A A . 73 LEU H 1 1 18 10120 1 1 29 LEU HA H -8.864 -0.577 6.142 1.00 . A A . 73 LEU HA 1 1 18 10121 1 1 29 LEU HB2 H -10.333 1.503 4.494 1.00 . A A . 73 LEU HB2 1 1 18 10122 1 1 29 LEU HB3 H -10.424 1.260 6.238 1.00 . A A . 73 LEU HB3 1 1 18 10123 1 1 29 LEU HD11 H -9.928 3.841 5.904 1.00 . A A . 73 LEU HD11 1 1 18 10124 1 1 29 LEU HD12 H -8.267 4.305 5.538 1.00 . A A . 73 LEU HD12 1 1 18 10125 1 1 29 LEU HD13 H -9.321 3.715 4.253 1.00 . A A . 73 LEU HD13 1 1 18 10126 1 1 29 LEU HD21 H -8.027 1.045 7.307 1.00 . A A . 73 LEU HD21 1 1 18 10127 1 1 29 LEU HD22 H -7.134 2.553 7.102 1.00 . A A . 73 LEU HD22 1 1 18 10128 1 1 29 LEU HD23 H -8.801 2.587 7.678 1.00 . A A . 73 LEU HD23 1 1 18 10129 1 1 29 LEU HG H -7.795 1.927 4.898 1.00 . A A . 73 LEU HG 1 1 18 10130 1 1 29 LEU N N -8.162 -0.089 4.200 1.00 . A A . 73 LEU N 1 1 18 10131 1 1 29 LEU O O -10.231 -1.669 3.584 1.00 . A A . 73 LEU O 1 1 18 10132 1 1 30 PRO C C -13.190 -1.646 3.804 1.00 . A A . 74 PRO C 1 1 18 10133 1 1 30 PRO CA C -12.499 -2.195 5.056 1.00 . A A . 74 PRO CA 1 1 18 10134 1 1 30 PRO CB C -13.448 -2.166 6.257 1.00 . A A . 74 PRO CB 1 1 18 10135 1 1 30 PRO CD C -11.585 -0.720 6.779 1.00 . A A . 74 PRO CD 1 1 18 10136 1 1 30 PRO CG C -12.654 -1.585 7.387 1.00 . A A . 74 PRO CG 1 1 18 10137 1 1 30 PRO HA H -12.149 -3.199 4.887 1.00 . A A . 74 PRO HA 1 1 18 10138 1 1 30 PRO HB2 H -14.304 -1.541 6.039 1.00 . A A . 74 PRO HB2 1 1 18 10139 1 1 30 PRO HB3 H -13.765 -3.167 6.507 1.00 . A A . 74 PRO HB3 1 1 18 10140 1 1 30 PRO HD2 H -11.932 0.300 6.691 1.00 . A A . 74 PRO HD2 1 1 18 10141 1 1 30 PRO HD3 H -10.678 -0.769 7.360 1.00 . A A . 74 PRO HD3 1 1 18 10142 1 1 30 PRO HG2 H -13.297 -0.990 8.021 1.00 . A A . 74 PRO HG2 1 1 18 10143 1 1 30 PRO HG3 H -12.198 -2.376 7.962 1.00 . A A . 74 PRO HG3 1 1 18 10144 1 1 30 PRO N N -11.375 -1.312 5.459 1.00 . A A . 74 PRO N 1 1 18 10145 1 1 30 PRO O O -14.027 -2.297 3.211 1.00 . A A . 74 PRO O 1 1 18 10146 1 1 31 ALA C C -12.770 -0.342 0.920 1.00 . A A . 75 ALA C 1 1 18 10147 1 1 31 ALA CA C -13.484 0.136 2.187 1.00 . A A . 75 ALA CA 1 1 18 10148 1 1 31 ALA CB C -13.321 1.646 2.354 1.00 . A A . 75 ALA CB 1 1 18 10149 1 1 31 ALA H H -12.172 0.053 3.893 1.00 . A A . 75 ALA H 1 1 18 10150 1 1 31 ALA HA H -14.531 -0.119 2.149 1.00 . A A . 75 ALA HA 1 1 18 10151 1 1 31 ALA HB1 H -12.315 1.865 2.682 1.00 . A A . 75 ALA HB1 1 1 18 10152 1 1 31 ALA HB2 H -13.504 2.133 1.407 1.00 . A A . 75 ALA HB2 1 1 18 10153 1 1 31 ALA HB3 H -14.026 2.006 3.088 1.00 . A A . 75 ALA HB3 1 1 18 10154 1 1 31 ALA N N -12.847 -0.455 3.399 1.00 . A A . 75 ALA N 1 1 18 10155 1 1 31 ALA O O -13.374 -0.498 -0.121 1.00 . A A . 75 ALA O 1 1 18 10156 1 1 32 PHE C C -10.158 -2.424 0.031 1.00 . A A . 76 PHE C 1 1 18 10157 1 1 32 PHE CA C -10.737 -1.027 -0.206 1.00 . A A . 76 PHE CA 1 1 18 10158 1 1 32 PHE CB C -9.615 -0.003 -0.396 1.00 . A A . 76 PHE CB 1 1 18 10159 1 1 32 PHE CD1 C -10.403 1.872 1.092 1.00 . A A . 76 PHE CD1 1 1 18 10160 1 1 32 PHE CD2 C -10.437 2.199 -1.310 1.00 . A A . 76 PHE CD2 1 1 18 10161 1 1 32 PHE CE1 C -10.914 3.162 1.276 1.00 . A A . 76 PHE CE1 1 1 18 10162 1 1 32 PHE CE2 C -10.949 3.489 -1.126 1.00 . A A . 76 PHE CE2 1 1 18 10163 1 1 32 PHE CG C -10.163 1.391 -0.200 1.00 . A A . 76 PHE CG 1 1 18 10164 1 1 32 PHE CZ C -11.187 3.970 0.167 1.00 . A A . 76 PHE CZ 1 1 18 10165 1 1 32 PHE H H -11.016 -0.431 1.843 1.00 . A A . 76 PHE H 1 1 18 10166 1 1 32 PHE HA H -11.382 -1.029 -1.066 1.00 . A A . 76 PHE HA 1 1 18 10167 1 1 32 PHE HB2 H -8.834 -0.189 0.327 1.00 . A A . 76 PHE HB2 1 1 18 10168 1 1 32 PHE HB3 H -9.211 -0.093 -1.396 1.00 . A A . 76 PHE HB3 1 1 18 10169 1 1 32 PHE HD1 H -10.191 1.248 1.948 1.00 . A A . 76 PHE HD1 1 1 18 10170 1 1 32 PHE HD2 H -10.250 1.829 -2.307 1.00 . A A . 76 PHE HD2 1 1 18 10171 1 1 32 PHE HE1 H -11.098 3.533 2.274 1.00 . A A . 76 PHE HE1 1 1 18 10172 1 1 32 PHE HE2 H -11.160 4.113 -1.982 1.00 . A A . 76 PHE HE2 1 1 18 10173 1 1 32 PHE HZ H -11.582 4.965 0.309 1.00 . A A . 76 PHE HZ 1 1 18 10174 1 1 32 PHE N N -11.486 -0.567 0.998 1.00 . A A . 76 PHE N 1 1 18 10175 1 1 32 PHE O O -10.202 -2.948 1.126 1.00 . A A . 76 PHE O 1 1 18 10176 1 1 33 GLU C C -8.057 -4.699 -1.954 1.00 . A A . 77 GLU C 1 1 18 10177 1 1 33 GLU CA C -9.037 -4.397 -0.819 1.00 . A A . 77 GLU CA 1 1 18 10178 1 1 33 GLU CB C -10.235 -5.346 -0.877 1.00 . A A . 77 GLU CB 1 1 18 10179 1 1 33 GLU CD C -9.545 -7.715 -0.479 1.00 . A A . 77 GLU CD 1 1 18 10180 1 1 33 GLU CG C -10.070 -6.439 0.182 1.00 . A A . 77 GLU CG 1 1 18 10181 1 1 33 GLU H H -9.591 -2.595 -1.867 1.00 . A A . 77 GLU H 1 1 18 10182 1 1 33 GLU HA H -8.546 -4.481 0.137 1.00 . A A . 77 GLU HA 1 1 18 10183 1 1 33 GLU HB2 H -11.142 -4.792 -0.686 1.00 . A A . 77 GLU HB2 1 1 18 10184 1 1 33 GLU HB3 H -10.288 -5.800 -1.854 1.00 . A A . 77 GLU HB3 1 1 18 10185 1 1 33 GLU HG2 H -9.371 -6.108 0.935 1.00 . A A . 77 GLU HG2 1 1 18 10186 1 1 33 GLU HG3 H -11.027 -6.641 0.641 1.00 . A A . 77 GLU HG3 1 1 18 10187 1 1 33 GLU N N -9.616 -3.033 -0.989 1.00 . A A . 77 GLU N 1 1 18 10188 1 1 33 GLU O O -8.314 -5.526 -2.807 1.00 . A A . 77 GLU O 1 1 18 10189 1 1 33 GLU OE1 O -8.376 -7.741 -0.826 1.00 . A A . 77 GLU OE1 1 1 18 10190 1 1 33 GLU OE2 O -10.321 -8.645 -0.627 1.00 . A A . 77 GLU OE2 1 1 18 10191 1 1 34 GLY C C -4.550 -3.852 -2.574 1.00 . A A . 78 GLY C 1 1 18 10192 1 1 34 GLY CA C -5.936 -4.287 -3.051 1.00 . A A . 78 GLY CA 1 1 18 10193 1 1 34 GLY H H -6.744 -3.375 -1.274 1.00 . A A . 78 GLY H 1 1 18 10194 1 1 34 GLY HA2 H -5.923 -5.341 -3.291 1.00 . A A . 78 GLY HA2 1 1 18 10195 1 1 34 GLY HA3 H -6.206 -3.720 -3.928 1.00 . A A . 78 GLY HA3 1 1 18 10196 1 1 34 GLY N N -6.933 -4.037 -1.972 1.00 . A A . 78 GLY N 1 1 18 10197 1 1 34 GLY O O -4.413 -3.138 -1.601 1.00 . A A . 78 GLY O 1 1 18 10198 1 1 35 ARG C C -2.048 -2.365 -2.687 1.00 . A A . 79 ARG C 1 1 18 10199 1 1 35 ARG CA C -2.143 -3.886 -2.837 1.00 . A A . 79 ARG CA 1 1 18 10200 1 1 35 ARG CB C -1.234 -4.372 -3.967 1.00 . A A . 79 ARG CB 1 1 18 10201 1 1 35 ARG CD C 0.983 -5.449 -4.379 1.00 . A A . 79 ARG CD 1 1 18 10202 1 1 35 ARG CG C 0.194 -4.531 -3.443 1.00 . A A . 79 ARG CG 1 1 18 10203 1 1 35 ARG CZ C 1.907 -4.277 -6.286 1.00 . A A . 79 ARG CZ 1 1 18 10204 1 1 35 ARG H H -3.650 -4.853 -4.035 1.00 . A A . 79 ARG H 1 1 18 10205 1 1 35 ARG HA H -1.874 -4.374 -1.913 1.00 . A A . 79 ARG HA 1 1 18 10206 1 1 35 ARG HB2 H -1.594 -5.323 -4.333 1.00 . A A . 79 ARG HB2 1 1 18 10207 1 1 35 ARG HB3 H -1.243 -3.651 -4.771 1.00 . A A . 79 ARG HB3 1 1 18 10208 1 1 35 ARG HD2 H 2.019 -5.495 -4.074 1.00 . A A . 79 ARG HD2 1 1 18 10209 1 1 35 ARG HD3 H 0.548 -6.436 -4.392 1.00 . A A . 79 ARG HD3 1 1 18 10210 1 1 35 ARG HE H -0.001 -4.816 -6.188 1.00 . A A . 79 ARG HE 1 1 18 10211 1 1 35 ARG HG2 H 0.671 -3.562 -3.401 1.00 . A A . 79 ARG HG2 1 1 18 10212 1 1 35 ARG HG3 H 0.169 -4.964 -2.455 1.00 . A A . 79 ARG HG3 1 1 18 10213 1 1 35 ARG HH11 H 2.523 -5.980 -7.143 1.00 . A A . 79 ARG HH11 1 1 18 10214 1 1 35 ARG HH12 H 3.510 -4.590 -7.445 1.00 . A A . 79 ARG HH12 1 1 18 10215 1 1 35 ARG HH21 H 1.536 -2.449 -5.562 1.00 . A A . 79 ARG HH21 1 1 18 10216 1 1 35 ARG HH22 H 2.951 -2.590 -6.550 1.00 . A A . 79 ARG HH22 1 1 18 10217 1 1 35 ARG N N -3.520 -4.277 -3.253 1.00 . A A . 79 ARG N 1 1 18 10218 1 1 35 ARG NE N 0.863 -4.821 -5.724 1.00 . A A . 79 ARG NE 1 1 18 10219 1 1 35 ARG NH1 N 2.709 -5.006 -7.015 1.00 . A A . 79 ARG NH1 1 1 18 10220 1 1 35 ARG NH2 N 2.150 -3.007 -6.119 1.00 . A A . 79 ARG NH2 1 1 18 10221 1 1 35 ARG O O -1.236 -1.855 -1.941 1.00 . A A . 79 ARG O 1 1 18 10222 1 1 36 ASN C C -4.246 0.417 -3.196 1.00 . A A . 80 ASN C 1 1 18 10223 1 1 36 ASN CA C -2.827 -0.149 -3.291 1.00 . A A . 80 ASN CA 1 1 18 10224 1 1 36 ASN CB C -2.154 0.315 -4.584 1.00 . A A . 80 ASN CB 1 1 18 10225 1 1 36 ASN CG C -0.663 -0.026 -4.539 1.00 . A A . 80 ASN CG 1 1 18 10226 1 1 36 ASN H H -3.517 -2.069 -3.989 1.00 . A A . 80 ASN H 1 1 18 10227 1 1 36 ASN HA H -2.239 0.155 -2.439 1.00 . A A . 80 ASN HA 1 1 18 10228 1 1 36 ASN HB2 H -2.612 -0.183 -5.426 1.00 . A A . 80 ASN HB2 1 1 18 10229 1 1 36 ASN HB3 H -2.274 1.383 -4.688 1.00 . A A . 80 ASN HB3 1 1 18 10230 1 1 36 ASN HD21 H -0.155 1.420 -5.806 1.00 . A A . 80 ASN HD21 1 1 18 10231 1 1 36 ASN HD22 H 1.137 0.466 -5.227 1.00 . A A . 80 ASN HD22 1 1 18 10232 1 1 36 ASN N N -2.870 -1.637 -3.393 1.00 . A A . 80 ASN N 1 1 18 10233 1 1 36 ASN ND2 N 0.176 0.678 -5.250 1.00 . A A . 80 ASN ND2 1 1 18 10234 1 1 36 ASN O O -4.507 1.532 -3.601 1.00 . A A . 80 ASN O 1 1 18 10235 1 1 36 ASN OD1 O -0.255 -0.941 -3.852 1.00 . A A . 80 ASN OD1 1 1 18 10236 1 1 37 CYS C C -7.149 0.440 -3.936 1.00 . A A . 81 CYS C 1 1 18 10237 1 1 37 CYS CA C -6.570 0.148 -2.550 1.00 . A A . 81 CYS CA 1 1 18 10238 1 1 37 CYS CB C -6.478 1.433 -1.729 1.00 . A A . 81 CYS CB 1 1 18 10239 1 1 37 CYS H H -4.934 -1.242 -2.351 1.00 . A A . 81 CYS H 1 1 18 10240 1 1 37 CYS HA H -7.179 -0.576 -2.033 1.00 . A A . 81 CYS HA 1 1 18 10241 1 1 37 CYS HB2 H -6.025 2.211 -2.325 1.00 . A A . 81 CYS HB2 1 1 18 10242 1 1 37 CYS HB3 H -7.470 1.738 -1.432 1.00 . A A . 81 CYS HB3 1 1 18 10243 1 1 37 CYS N N -5.165 -0.344 -2.668 1.00 . A A . 81 CYS N 1 1 18 10244 1 1 37 CYS O O -8.194 1.045 -4.067 1.00 . A A . 81 CYS O 1 1 18 10245 1 1 37 CYS SG S -5.473 1.138 -0.256 1.00 . A A . 81 CYS SG 1 1 18 10246 1 1 38 GLU C C -8.297 -0.511 -6.567 1.00 . A A . 82 GLU C 1 1 18 10247 1 1 38 GLU CA C -6.994 0.269 -6.346 1.00 . A A . 82 GLU CA 1 1 18 10248 1 1 38 GLU CB C -5.881 -0.229 -7.277 1.00 . A A . 82 GLU CB 1 1 18 10249 1 1 38 GLU CD C -5.371 -1.228 -9.511 1.00 . A A . 82 GLU CD 1 1 18 10250 1 1 38 GLU CG C -6.467 -0.609 -8.640 1.00 . A A . 82 GLU CG 1 1 18 10251 1 1 38 GLU H H -5.639 -0.474 -4.846 1.00 . A A . 82 GLU H 1 1 18 10252 1 1 38 GLU HA H -7.157 1.324 -6.497 1.00 . A A . 82 GLU HA 1 1 18 10253 1 1 38 GLU HB2 H -5.149 0.557 -7.407 1.00 . A A . 82 GLU HB2 1 1 18 10254 1 1 38 GLU HB3 H -5.406 -1.094 -6.837 1.00 . A A . 82 GLU HB3 1 1 18 10255 1 1 38 GLU HG2 H -7.265 -1.324 -8.501 1.00 . A A . 82 GLU HG2 1 1 18 10256 1 1 38 GLU HG3 H -6.854 0.274 -9.125 1.00 . A A . 82 GLU HG3 1 1 18 10257 1 1 38 GLU N N -6.480 0.015 -4.971 1.00 . A A . 82 GLU N 1 1 18 10258 1 1 38 GLU O O -8.992 -0.310 -7.542 1.00 . A A . 82 GLU O 1 1 18 10259 1 1 38 GLU OE1 O -4.213 -0.934 -9.269 1.00 . A A . 82 GLU OE1 1 1 18 10260 1 1 38 GLU OE2 O -5.711 -1.987 -10.405 1.00 . A A . 82 GLU OE2 1 1 18 10261 1 1 39 THR C C -10.957 -1.664 -4.862 1.00 . A A . 83 THR C 1 1 18 10262 1 1 39 THR CA C -9.886 -2.181 -5.827 1.00 . A A . 83 THR CA 1 1 18 10263 1 1 39 THR CB C -9.501 -3.620 -5.479 1.00 . A A . 83 THR CB 1 1 18 10264 1 1 39 THR CG2 C -10.764 -4.476 -5.373 1.00 . A A . 83 THR CG2 1 1 18 10265 1 1 39 THR H H -8.057 -1.541 -4.886 1.00 . A A . 83 THR H 1 1 18 10266 1 1 39 THR HA H -10.238 -2.130 -6.844 1.00 . A A . 83 THR HA 1 1 18 10267 1 1 39 THR HB H -8.981 -3.636 -4.534 1.00 . A A . 83 THR HB 1 1 18 10268 1 1 39 THR HG1 H -7.955 -4.642 -6.071 1.00 . A A . 83 THR HG1 1 1 18 10269 1 1 39 THR HG21 H -11.633 -3.856 -5.538 1.00 . A A . 83 THR HG21 1 1 18 10270 1 1 39 THR HG22 H -10.732 -5.258 -6.117 1.00 . A A . 83 THR HG22 1 1 18 10271 1 1 39 THR HG23 H -10.817 -4.918 -4.388 1.00 . A A . 83 THR HG23 1 1 18 10272 1 1 39 THR N N -8.631 -1.395 -5.667 1.00 . A A . 83 THR N 1 1 18 10273 1 1 39 THR O O -11.465 -2.394 -4.033 1.00 . A A . 83 THR O 1 1 18 10274 1 1 39 THR OG1 O -8.656 -4.141 -6.495 1.00 . A A . 83 THR OG1 1 1 18 10275 1 1 40 HIS C C -13.524 -0.812 -3.940 1.00 . A A . 84 HIS C 1 1 18 10276 1 1 40 HIS CA C -12.341 0.153 -4.053 1.00 . A A . 84 HIS CA 1 1 18 10277 1 1 40 HIS CB C -12.777 1.463 -4.712 1.00 . A A . 84 HIS CB 1 1 18 10278 1 1 40 HIS CD2 C -14.286 2.831 -3.050 1.00 . A A . 84 HIS CD2 1 1 18 10279 1 1 40 HIS CE1 C -16.220 2.122 -3.723 1.00 . A A . 84 HIS CE1 1 1 18 10280 1 1 40 HIS CG C -14.051 1.946 -4.074 1.00 . A A . 84 HIS CG 1 1 18 10281 1 1 40 HIS H H -10.882 0.161 -5.639 1.00 . A A . 84 HIS H 1 1 18 10282 1 1 40 HIS HA H -11.921 0.352 -3.080 1.00 . A A . 84 HIS HA 1 1 18 10283 1 1 40 HIS HB2 H -12.004 2.206 -4.581 1.00 . A A . 84 HIS HB2 1 1 18 10284 1 1 40 HIS HB3 H -12.945 1.298 -5.766 1.00 . A A . 84 HIS HB3 1 1 18 10285 1 1 40 HIS HD1 H -15.478 0.863 -5.204 1.00 . A A . 84 HIS HD1 1 1 18 10286 1 1 40 HIS HD2 H -13.523 3.362 -2.499 1.00 . A A . 84 HIS HD2 1 1 18 10287 1 1 40 HIS HE1 H -17.285 1.972 -3.820 1.00 . A A . 84 HIS HE1 1 1 18 10288 1 1 40 HIS N N -11.304 -0.410 -4.964 1.00 . A A . 84 HIS N 1 1 18 10289 1 1 40 HIS ND1 N -15.299 1.506 -4.486 1.00 . A A . 84 HIS ND1 1 1 18 10290 1 1 40 HIS NE2 N -15.656 2.940 -2.831 1.00 . A A . 84 HIS NE2 1 1 18 10291 1 1 40 HIS O O -14.273 -1.004 -4.877 1.00 . A A . 84 HIS O 1 1 18 10292 1 1 41 LYS C C -16.152 -1.695 -2.993 1.00 . A A . 85 LYS C 1 1 18 10293 1 1 41 LYS CA C -14.829 -2.375 -2.628 1.00 . A A . 85 LYS CA 1 1 18 10294 1 1 41 LYS CB C -14.812 -2.754 -1.147 1.00 . A A . 85 LYS CB 1 1 18 10295 1 1 41 LYS CD C -13.291 -3.453 0.707 1.00 . A A . 85 LYS CD 1 1 18 10296 1 1 41 LYS CE C -13.495 -4.872 1.238 1.00 . A A . 85 LYS CE 1 1 18 10297 1 1 41 LYS CG C -13.488 -3.440 -0.810 1.00 . A A . 85 LYS CG 1 1 18 10298 1 1 41 LYS H H -13.079 -1.255 -2.056 1.00 . A A . 85 LYS H 1 1 18 10299 1 1 41 LYS HA H -14.678 -3.255 -3.235 1.00 . A A . 85 LYS HA 1 1 18 10300 1 1 41 LYS HB2 H -14.918 -1.860 -0.546 1.00 . A A . 85 LYS HB2 1 1 18 10301 1 1 41 LYS HB3 H -15.630 -3.430 -0.938 1.00 . A A . 85 LYS HB3 1 1 18 10302 1 1 41 LYS HD2 H -12.291 -3.119 0.943 1.00 . A A . 85 LYS HD2 1 1 18 10303 1 1 41 LYS HD3 H -14.010 -2.791 1.168 1.00 . A A . 85 LYS HD3 1 1 18 10304 1 1 41 LYS HE2 H -13.305 -5.595 0.456 1.00 . A A . 85 LYS HE2 1 1 18 10305 1 1 41 LYS HE3 H -12.853 -5.055 2.086 1.00 . A A . 85 LYS HE3 1 1 18 10306 1 1 41 LYS HG2 H -13.505 -4.456 -1.180 1.00 . A A . 85 LYS HG2 1 1 18 10307 1 1 41 LYS HG3 H -12.674 -2.902 -1.272 1.00 . A A . 85 LYS HG3 1 1 18 10308 1 1 41 LYS HZ1 H -15.528 -4.618 0.869 1.00 . A A . 85 LYS HZ1 1 1 18 10309 1 1 41 LYS HZ2 H -15.171 -5.897 1.930 1.00 . A A . 85 LYS HZ2 1 1 18 10310 1 1 41 LYS HZ3 H -15.068 -4.293 2.472 1.00 . A A . 85 LYS HZ3 1 1 18 10311 1 1 41 LYS N N -13.695 -1.423 -2.800 1.00 . A A . 85 LYS N 1 1 18 10312 1 1 41 LYS NZ N -14.924 -4.923 1.659 1.00 . A A . 85 LYS NZ 1 1 18 10313 1 1 41 LYS O O -16.262 -0.501 -2.768 1.00 . A A . 85 LYS O 1 1 18 10314 1 1 41 LYS OXT O -17.031 -2.380 -3.490 1.00 . A A . 85 LYS OXT 1 1 19 10315 1 1 1 SER C C 13.952 5.697 2.910 1.00 . A A . 45 SER C 1 1 19 10316 1 1 1 SER CA C 13.507 4.514 3.776 1.00 . A A . 45 SER CA 1 1 19 10317 1 1 1 SER CB C 14.650 3.513 3.943 1.00 . A A . 45 SER CB 1 1 19 10318 1 1 1 SER H1 H 12.632 3.693 2.073 1.00 . A A . 45 SER H1 1 1 19 10319 1 1 1 SER H2 H 12.368 2.793 3.490 1.00 . A A . 45 SER H2 1 1 19 10320 1 1 1 SER H3 H 11.516 4.239 3.226 1.00 . A A . 45 SER H3 1 1 19 10321 1 1 1 SER HA H 13.172 4.858 4.741 1.00 . A A . 45 SER HA 1 1 19 10322 1 1 1 SER HB2 H 14.965 3.159 2.976 1.00 . A A . 45 SER HB2 1 1 19 10323 1 1 1 SER HB3 H 15.482 3.999 4.434 1.00 . A A . 45 SER HB3 1 1 19 10324 1 1 1 SER HG H 13.487 2.721 5.287 1.00 . A A . 45 SER HG 1 1 19 10325 1 1 1 SER N N 12.424 3.752 3.089 1.00 . A A . 45 SER N 1 1 19 10326 1 1 1 SER O O 15.105 5.814 2.548 1.00 . A A . 45 SER O 1 1 19 10327 1 1 1 SER OG O 14.199 2.412 4.722 1.00 . A A . 45 SER OG 1 1 19 10328 1 1 2 ASP C C 13.945 7.280 0.377 1.00 . A A . 46 ASP C 1 1 19 10329 1 1 2 ASP CA C 13.416 7.748 1.735 1.00 . A A . 46 ASP CA 1 1 19 10330 1 1 2 ASP CB C 14.515 8.466 2.520 1.00 . A A . 46 ASP CB 1 1 19 10331 1 1 2 ASP CG C 13.963 9.775 3.091 1.00 . A A . 46 ASP CG 1 1 19 10332 1 1 2 ASP H H 12.119 6.461 2.878 1.00 . A A . 46 ASP H 1 1 19 10333 1 1 2 ASP HA H 12.569 8.402 1.605 1.00 . A A . 46 ASP HA 1 1 19 10334 1 1 2 ASP HB2 H 14.853 7.833 3.327 1.00 . A A . 46 ASP HB2 1 1 19 10335 1 1 2 ASP HB3 H 15.343 8.684 1.862 1.00 . A A . 46 ASP HB3 1 1 19 10336 1 1 2 ASP N N 13.044 6.574 2.576 1.00 . A A . 46 ASP N 1 1 19 10337 1 1 2 ASP O O 15.009 7.677 -0.057 1.00 . A A . 46 ASP O 1 1 19 10338 1 1 2 ASP OD1 O 13.127 9.704 3.976 1.00 . A A . 46 ASP OD1 1 1 19 10339 1 1 2 ASP OD2 O 14.386 10.822 2.632 1.00 . A A . 46 ASP OD2 1 1 19 10340 1 1 3 GLY C C 13.673 4.419 -1.638 1.00 . A A . 47 GLY C 1 1 19 10341 1 1 3 GLY CA C 13.672 5.948 -1.628 1.00 . A A . 47 GLY CA 1 1 19 10342 1 1 3 GLY H H 12.355 6.132 0.067 1.00 . A A . 47 GLY H 1 1 19 10343 1 1 3 GLY HA2 H 13.007 6.314 -2.398 1.00 . A A . 47 GLY HA2 1 1 19 10344 1 1 3 GLY HA3 H 14.673 6.306 -1.817 1.00 . A A . 47 GLY HA3 1 1 19 10345 1 1 3 GLY N N 13.211 6.440 -0.299 1.00 . A A . 47 GLY N 1 1 19 10346 1 1 3 GLY O O 14.701 3.791 -1.794 1.00 . A A . 47 GLY O 1 1 19 10347 1 1 4 ASP C C 11.165 1.845 -2.120 1.00 . A A . 48 ASP C 1 1 19 10348 1 1 4 ASP CA C 12.468 2.323 -1.471 1.00 . A A . 48 ASP CA 1 1 19 10349 1 1 4 ASP CB C 12.511 1.926 0.005 1.00 . A A . 48 ASP CB 1 1 19 10350 1 1 4 ASP CG C 13.949 2.027 0.518 1.00 . A A . 48 ASP CG 1 1 19 10351 1 1 4 ASP H H 11.710 4.337 -1.347 1.00 . A A . 48 ASP H 1 1 19 10352 1 1 4 ASP HA H 13.320 1.912 -1.988 1.00 . A A . 48 ASP HA 1 1 19 10353 1 1 4 ASP HB2 H 11.878 2.591 0.575 1.00 . A A . 48 ASP HB2 1 1 19 10354 1 1 4 ASP HB3 H 12.162 0.911 0.115 1.00 . A A . 48 ASP HB3 1 1 19 10355 1 1 4 ASP N N 12.528 3.813 -1.471 1.00 . A A . 48 ASP N 1 1 19 10356 1 1 4 ASP O O 11.097 1.634 -3.313 1.00 . A A . 48 ASP O 1 1 19 10357 1 1 4 ASP OD1 O 14.323 3.097 0.967 1.00 . A A . 48 ASP OD1 1 1 19 10358 1 1 4 ASP OD2 O 14.652 1.032 0.451 1.00 . A A . 48 ASP OD2 1 1 19 10359 1 1 5 GLN C C 7.678 2.049 -1.371 1.00 . A A . 49 GLN C 1 1 19 10360 1 1 5 GLN CA C 8.835 1.208 -1.917 1.00 . A A . 49 GLN CA 1 1 19 10361 1 1 5 GLN CB C 8.701 -0.243 -1.470 1.00 . A A . 49 GLN CB 1 1 19 10362 1 1 5 GLN CD C 10.102 -2.305 -1.303 1.00 . A A . 49 GLN CD 1 1 19 10363 1 1 5 GLN CG C 9.760 -1.095 -2.173 1.00 . A A . 49 GLN CG 1 1 19 10364 1 1 5 GLN H H 10.205 1.847 -0.380 1.00 . A A . 49 GLN H 1 1 19 10365 1 1 5 GLN HA H 8.862 1.256 -2.989 1.00 . A A . 49 GLN HA 1 1 19 10366 1 1 5 GLN HB2 H 8.843 -0.299 -0.404 1.00 . A A . 49 GLN HB2 1 1 19 10367 1 1 5 GLN HB3 H 7.717 -0.611 -1.727 1.00 . A A . 49 GLN HB3 1 1 19 10368 1 1 5 GLN HE21 H 10.279 -1.232 0.361 1.00 . A A . 49 GLN HE21 1 1 19 10369 1 1 5 GLN HE22 H 10.549 -2.907 0.539 1.00 . A A . 49 GLN HE22 1 1 19 10370 1 1 5 GLN HG2 H 9.376 -1.432 -3.125 1.00 . A A . 49 GLN HG2 1 1 19 10371 1 1 5 GLN HG3 H 10.650 -0.505 -2.331 1.00 . A A . 49 GLN HG3 1 1 19 10372 1 1 5 GLN N N 10.130 1.672 -1.342 1.00 . A A . 49 GLN N 1 1 19 10373 1 1 5 GLN NE2 N 10.329 -2.134 -0.029 1.00 . A A . 49 GLN NE2 1 1 19 10374 1 1 5 GLN O O 6.857 2.549 -2.115 1.00 . A A . 49 GLN O 1 1 19 10375 1 1 5 GLN OE1 O 10.164 -3.418 -1.786 1.00 . A A . 49 GLN OE1 1 1 19 10376 1 1 6 CYS C C 6.822 4.514 0.386 1.00 . A A . 50 CYS C 1 1 19 10377 1 1 6 CYS CA C 6.504 3.021 0.511 1.00 . A A . 50 CYS CA 1 1 19 10378 1 1 6 CYS CB C 6.445 2.607 1.981 1.00 . A A . 50 CYS CB 1 1 19 10379 1 1 6 CYS H H 8.280 1.801 0.505 1.00 . A A . 50 CYS H 1 1 19 10380 1 1 6 CYS HA H 5.568 2.794 0.026 1.00 . A A . 50 CYS HA 1 1 19 10381 1 1 6 CYS HB2 H 7.440 2.635 2.402 1.00 . A A . 50 CYS HB2 1 1 19 10382 1 1 6 CYS HB3 H 5.806 3.290 2.523 1.00 . A A . 50 CYS HB3 1 1 19 10383 1 1 6 CYS N N 7.608 2.210 -0.078 1.00 . A A . 50 CYS N 1 1 19 10384 1 1 6 CYS O O 6.039 5.360 0.769 1.00 . A A . 50 CYS O 1 1 19 10385 1 1 6 CYS SG S 5.780 0.929 2.113 1.00 . A A . 50 CYS SG 1 1 19 10386 1 1 7 ALA C C 7.241 7.023 -1.074 1.00 . A A . 51 ALA C 1 1 19 10387 1 1 7 ALA CA C 8.333 6.281 -0.301 1.00 . A A . 51 ALA CA 1 1 19 10388 1 1 7 ALA CB C 9.641 6.275 -1.092 1.00 . A A . 51 ALA CB 1 1 19 10389 1 1 7 ALA H H 8.583 4.146 -0.454 1.00 . A A . 51 ALA H 1 1 19 10390 1 1 7 ALA HA H 8.488 6.734 0.665 1.00 . A A . 51 ALA HA 1 1 19 10391 1 1 7 ALA HB1 H 10.004 5.261 -1.179 1.00 . A A . 51 ALA HB1 1 1 19 10392 1 1 7 ALA HB2 H 9.467 6.680 -2.078 1.00 . A A . 51 ALA HB2 1 1 19 10393 1 1 7 ALA HB3 H 10.375 6.878 -0.579 1.00 . A A . 51 ALA HB3 1 1 19 10394 1 1 7 ALA N N 7.966 4.844 -0.150 1.00 . A A . 51 ALA N 1 1 19 10395 1 1 7 ALA O O 6.737 8.039 -0.636 1.00 . A A . 51 ALA O 1 1 19 10396 1 1 8 SER C C 4.436 6.954 -2.382 1.00 . A A . 52 SER C 1 1 19 10397 1 1 8 SER CA C 5.806 7.199 -3.018 1.00 . A A . 52 SER CA 1 1 19 10398 1 1 8 SER CB C 5.879 6.553 -4.402 1.00 . A A . 52 SER CB 1 1 19 10399 1 1 8 SER H H 7.284 5.701 -2.554 1.00 . A A . 52 SER H 1 1 19 10400 1 1 8 SER HA H 6.005 8.256 -3.093 1.00 . A A . 52 SER HA 1 1 19 10401 1 1 8 SER HB2 H 5.481 7.232 -5.139 1.00 . A A . 52 SER HB2 1 1 19 10402 1 1 8 SER HB3 H 6.910 6.331 -4.640 1.00 . A A . 52 SER HB3 1 1 19 10403 1 1 8 SER HG H 4.928 5.123 -5.316 1.00 . A A . 52 SER HG 1 1 19 10404 1 1 8 SER N N 6.868 6.522 -2.220 1.00 . A A . 52 SER N 1 1 19 10405 1 1 8 SER O O 3.449 7.557 -2.754 1.00 . A A . 52 SER O 1 1 19 10406 1 1 8 SER OG O 5.110 5.358 -4.403 1.00 . A A . 52 SER OG 1 1 19 10407 1 1 9 SER C C 2.101 5.118 -1.737 1.00 . A A . 53 SER C 1 1 19 10408 1 1 9 SER CA C 3.067 5.787 -0.755 1.00 . A A . 53 SER CA 1 1 19 10409 1 1 9 SER CB C 2.532 7.154 -0.327 1.00 . A A . 53 SER CB 1 1 19 10410 1 1 9 SER H H 5.179 5.598 -1.136 1.00 . A A . 53 SER H 1 1 19 10411 1 1 9 SER HA H 3.215 5.162 0.111 1.00 . A A . 53 SER HA 1 1 19 10412 1 1 9 SER HB2 H 3.225 7.923 -0.624 1.00 . A A . 53 SER HB2 1 1 19 10413 1 1 9 SER HB3 H 1.576 7.329 -0.802 1.00 . A A . 53 SER HB3 1 1 19 10414 1 1 9 SER HG H 1.485 6.919 1.296 1.00 . A A . 53 SER HG 1 1 19 10415 1 1 9 SER N N 4.369 6.073 -1.421 1.00 . A A . 53 SER N 1 1 19 10416 1 1 9 SER O O 1.182 5.743 -2.228 1.00 . A A . 53 SER O 1 1 19 10417 1 1 9 SER OG O 2.385 7.178 1.087 1.00 . A A . 53 SER OG 1 1 19 10418 1 1 10 PRO C C 0.063 2.986 -2.356 1.00 . A A . 54 PRO C 1 1 19 10419 1 1 10 PRO CA C 1.483 3.089 -2.918 1.00 . A A . 54 PRO CA 1 1 19 10420 1 1 10 PRO CB C 2.144 1.712 -2.986 1.00 . A A . 54 PRO CB 1 1 19 10421 1 1 10 PRO CD C 3.427 3.047 -1.429 1.00 . A A . 54 PRO CD 1 1 19 10422 1 1 10 PRO CG C 3.043 1.637 -1.790 1.00 . A A . 54 PRO CG 1 1 19 10423 1 1 10 PRO HA H 1.476 3.545 -3.895 1.00 . A A . 54 PRO HA 1 1 19 10424 1 1 10 PRO HB2 H 1.392 0.935 -2.940 1.00 . A A . 54 PRO HB2 1 1 19 10425 1 1 10 PRO HB3 H 2.727 1.620 -3.890 1.00 . A A . 54 PRO HB3 1 1 19 10426 1 1 10 PRO HD2 H 3.478 3.162 -0.356 1.00 . A A . 54 PRO HD2 1 1 19 10427 1 1 10 PRO HD3 H 4.367 3.315 -1.887 1.00 . A A . 54 PRO HD3 1 1 19 10428 1 1 10 PRO HG2 H 2.519 1.174 -0.967 1.00 . A A . 54 PRO HG2 1 1 19 10429 1 1 10 PRO HG3 H 3.929 1.070 -2.030 1.00 . A A . 54 PRO HG3 1 1 19 10430 1 1 10 PRO N N 2.345 3.860 -1.988 1.00 . A A . 54 PRO N 1 1 19 10431 1 1 10 PRO O O -0.902 3.316 -3.017 1.00 . A A . 54 PRO O 1 1 19 10432 1 1 11 CYS C C -2.157 3.762 -0.616 1.00 . A A . 55 CYS C 1 1 19 10433 1 1 11 CYS CA C -1.429 2.416 -0.533 1.00 . A A . 55 CYS CA 1 1 19 10434 1 1 11 CYS CB C -1.179 2.030 0.924 1.00 . A A . 55 CYS CB 1 1 19 10435 1 1 11 CYS H H 0.720 2.277 -0.621 1.00 . A A . 55 CYS H 1 1 19 10436 1 1 11 CYS HA H -1.999 1.647 -1.028 1.00 . A A . 55 CYS HA 1 1 19 10437 1 1 11 CYS HB2 H -0.191 1.606 1.019 1.00 . A A . 55 CYS HB2 1 1 19 10438 1 1 11 CYS HB3 H -1.258 2.912 1.546 1.00 . A A . 55 CYS HB3 1 1 19 10439 1 1 11 CYS N N -0.072 2.535 -1.138 1.00 . A A . 55 CYS N 1 1 19 10440 1 1 11 CYS O O -1.550 4.812 -0.546 1.00 . A A . 55 CYS O 1 1 19 10441 1 1 11 CYS SG S -2.407 0.815 1.460 1.00 . A A . 55 CYS SG 1 1 19 10442 1 1 12 GLN C C -5.459 4.942 0.041 1.00 . A A . 56 GLN C 1 1 19 10443 1 1 12 GLN CA C -4.223 5.003 -0.857 1.00 . A A . 56 GLN CA 1 1 19 10444 1 1 12 GLN CB C -4.639 5.106 -2.325 1.00 . A A . 56 GLN CB 1 1 19 10445 1 1 12 GLN CD C -3.646 4.525 -4.542 1.00 . A A . 56 GLN CD 1 1 19 10446 1 1 12 GLN CG C -3.391 5.211 -3.199 1.00 . A A . 56 GLN CG 1 1 19 10447 1 1 12 GLN H H -3.913 2.882 -0.822 1.00 . A A . 56 GLN H 1 1 19 10448 1 1 12 GLN HA H -3.602 5.841 -0.592 1.00 . A A . 56 GLN HA 1 1 19 10449 1 1 12 GLN HB2 H -5.201 4.224 -2.601 1.00 . A A . 56 GLN HB2 1 1 19 10450 1 1 12 GLN HB3 H -5.252 5.983 -2.466 1.00 . A A . 56 GLN HB3 1 1 19 10451 1 1 12 GLN HE21 H -5.625 4.651 -4.394 1.00 . A A . 56 GLN HE21 1 1 19 10452 1 1 12 GLN HE22 H -5.044 3.903 -5.813 1.00 . A A . 56 GLN HE22 1 1 19 10453 1 1 12 GLN HG2 H -3.156 6.253 -3.362 1.00 . A A . 56 GLN HG2 1 1 19 10454 1 1 12 GLN HG3 H -2.565 4.728 -2.701 1.00 . A A . 56 GLN HG3 1 1 19 10455 1 1 12 GLN N N -3.450 3.735 -0.766 1.00 . A A . 56 GLN N 1 1 19 10456 1 1 12 GLN NE2 N -4.873 4.345 -4.950 1.00 . A A . 56 GLN NE2 1 1 19 10457 1 1 12 GLN O O -5.712 3.956 0.704 1.00 . A A . 56 GLN O 1 1 19 10458 1 1 12 GLN OE1 O -2.718 4.147 -5.230 1.00 . A A . 56 GLN OE1 1 1 19 10459 1 1 13 ASN C C -7.099 5.739 2.374 1.00 . A A . 57 ASN C 1 1 19 10460 1 1 13 ASN CA C -7.459 6.001 0.909 1.00 . A A . 57 ASN CA 1 1 19 10461 1 1 13 ASN CB C -8.332 4.874 0.356 1.00 . A A . 57 ASN CB 1 1 19 10462 1 1 13 ASN CG C -8.532 5.079 -1.146 1.00 . A A . 57 ASN CG 1 1 19 10463 1 1 13 ASN H H -6.010 6.772 -0.487 1.00 . A A . 57 ASN H 1 1 19 10464 1 1 13 ASN HA H -7.973 6.944 0.814 1.00 . A A . 57 ASN HA 1 1 19 10465 1 1 13 ASN HB2 H -7.847 3.924 0.530 1.00 . A A . 57 ASN HB2 1 1 19 10466 1 1 13 ASN HB3 H -9.292 4.885 0.850 1.00 . A A . 57 ASN HB3 1 1 19 10467 1 1 13 ASN HD21 H -8.160 3.180 -1.596 1.00 . A A . 57 ASN HD21 1 1 19 10468 1 1 13 ASN HD22 H -8.514 4.191 -2.924 1.00 . A A . 57 ASN HD22 1 1 19 10469 1 1 13 ASN N N -6.233 5.991 0.061 1.00 . A A . 57 ASN N 1 1 19 10470 1 1 13 ASN ND2 N -8.391 4.066 -1.955 1.00 . A A . 57 ASN ND2 1 1 19 10471 1 1 13 ASN O O -7.798 5.040 3.081 1.00 . A A . 57 ASN O 1 1 19 10472 1 1 13 ASN OD1 O -8.820 6.174 -1.589 1.00 . A A . 57 ASN OD1 1 1 19 10473 1 1 14 GLY C C -5.025 4.698 4.439 1.00 . A A . 58 GLY C 1 1 19 10474 1 1 14 GLY CA C -5.615 6.098 4.255 1.00 . A A . 58 GLY CA 1 1 19 10475 1 1 14 GLY H H -5.474 6.869 2.248 1.00 . A A . 58 GLY H 1 1 19 10476 1 1 14 GLY HA2 H -4.875 6.839 4.527 1.00 . A A . 58 GLY HA2 1 1 19 10477 1 1 14 GLY HA3 H -6.480 6.205 4.892 1.00 . A A . 58 GLY HA3 1 1 19 10478 1 1 14 GLY N N -6.017 6.303 2.835 1.00 . A A . 58 GLY N 1 1 19 10479 1 1 14 GLY O O -4.915 4.204 5.543 1.00 . A A . 58 GLY O 1 1 19 10480 1 1 15 GLY C C -2.569 2.810 3.875 1.00 . A A . 59 GLY C 1 1 19 10481 1 1 15 GLY CA C -4.052 2.688 3.508 1.00 . A A . 59 GLY CA 1 1 19 10482 1 1 15 GLY H H -4.727 4.463 2.486 1.00 . A A . 59 GLY H 1 1 19 10483 1 1 15 GLY HA2 H -4.577 2.149 4.288 1.00 . A A . 59 GLY HA2 1 1 19 10484 1 1 15 GLY HA3 H -4.151 2.158 2.571 1.00 . A A . 59 GLY HA3 1 1 19 10485 1 1 15 GLY N N -4.637 4.052 3.372 1.00 . A A . 59 GLY N 1 1 19 10486 1 1 15 GLY O O -1.874 3.685 3.400 1.00 . A A . 59 GLY O 1 1 19 10487 1 1 16 SER C C 0.219 1.118 4.256 1.00 . A A . 60 SER C 1 1 19 10488 1 1 16 SER CA C -0.645 2.027 5.136 1.00 . A A . 60 SER CA 1 1 19 10489 1 1 16 SER CB C -0.621 1.543 6.584 1.00 . A A . 60 SER CB 1 1 19 10490 1 1 16 SER H H -2.660 1.255 5.110 1.00 . A A . 60 SER H 1 1 19 10491 1 1 16 SER HA H -0.295 3.046 5.084 1.00 . A A . 60 SER HA 1 1 19 10492 1 1 16 SER HB2 H -0.540 0.468 6.605 1.00 . A A . 60 SER HB2 1 1 19 10493 1 1 16 SER HB3 H 0.231 1.975 7.093 1.00 . A A . 60 SER HB3 1 1 19 10494 1 1 16 SER HG H -1.592 2.453 8.003 1.00 . A A . 60 SER HG 1 1 19 10495 1 1 16 SER N N -2.081 1.949 4.729 1.00 . A A . 60 SER N 1 1 19 10496 1 1 16 SER O O -0.040 -0.059 4.121 1.00 . A A . 60 SER O 1 1 19 10497 1 1 16 SER OG O -1.825 1.933 7.231 1.00 . A A . 60 SER OG 1 1 19 10498 1 1 17 CYS C C 3.110 0.010 3.654 1.00 . A A . 61 CYS C 1 1 19 10499 1 1 17 CYS CA C 2.134 0.822 2.796 1.00 . A A . 61 CYS CA 1 1 19 10500 1 1 17 CYS CB C 2.894 1.824 1.926 1.00 . A A . 61 CYS CB 1 1 19 10501 1 1 17 CYS H H 1.446 2.608 3.788 1.00 . A A . 61 CYS H 1 1 19 10502 1 1 17 CYS HA H 1.543 0.168 2.174 1.00 . A A . 61 CYS HA 1 1 19 10503 1 1 17 CYS HB2 H 2.202 2.328 1.268 1.00 . A A . 61 CYS HB2 1 1 19 10504 1 1 17 CYS HB3 H 3.383 2.550 2.557 1.00 . A A . 61 CYS HB3 1 1 19 10505 1 1 17 CYS N N 1.250 1.657 3.662 1.00 . A A . 61 CYS N 1 1 19 10506 1 1 17 CYS O O 3.616 0.485 4.651 1.00 . A A . 61 CYS O 1 1 19 10507 1 1 17 CYS SG S 4.135 0.948 0.941 1.00 . A A . 61 CYS SG 1 1 19 10508 1 1 18 LYS C C 5.618 -2.281 3.293 1.00 . A A . 62 LYS C 1 1 19 10509 1 1 18 LYS CA C 4.323 -2.047 4.072 1.00 . A A . 62 LYS CA 1 1 19 10510 1 1 18 LYS CB C 3.600 -3.374 4.293 1.00 . A A . 62 LYS CB 1 1 19 10511 1 1 18 LYS CD C 4.387 -3.527 6.660 1.00 . A A . 62 LYS CD 1 1 19 10512 1 1 18 LYS CE C 5.132 -4.397 7.676 1.00 . A A . 62 LYS CE 1 1 19 10513 1 1 18 LYS CG C 4.383 -4.222 5.298 1.00 . A A . 62 LYS CG 1 1 19 10514 1 1 18 LYS H H 2.959 -1.577 2.465 1.00 . A A . 62 LYS H 1 1 19 10515 1 1 18 LYS HA H 4.532 -1.579 5.021 1.00 . A A . 62 LYS HA 1 1 19 10516 1 1 18 LYS HB2 H 2.606 -3.187 4.673 1.00 . A A . 62 LYS HB2 1 1 19 10517 1 1 18 LYS HB3 H 3.536 -3.905 3.358 1.00 . A A . 62 LYS HB3 1 1 19 10518 1 1 18 LYS HD2 H 4.879 -2.570 6.574 1.00 . A A . 62 LYS HD2 1 1 19 10519 1 1 18 LYS HD3 H 3.370 -3.381 6.992 1.00 . A A . 62 LYS HD3 1 1 19 10520 1 1 18 LYS HE2 H 4.578 -4.447 8.603 1.00 . A A . 62 LYS HE2 1 1 19 10521 1 1 18 LYS HE3 H 5.292 -5.387 7.278 1.00 . A A . 62 LYS HE3 1 1 19 10522 1 1 18 LYS HG2 H 3.917 -5.193 5.388 1.00 . A A . 62 LYS HG2 1 1 19 10523 1 1 18 LYS HG3 H 5.399 -4.343 4.952 1.00 . A A . 62 LYS HG3 1 1 19 10524 1 1 18 LYS HZ1 H 6.677 -3.160 7.033 1.00 . A A . 62 LYS HZ1 1 1 19 10525 1 1 18 LYS HZ2 H 6.370 -3.076 8.702 1.00 . A A . 62 LYS HZ2 1 1 19 10526 1 1 18 LYS HZ3 H 7.177 -4.420 8.057 1.00 . A A . 62 LYS HZ3 1 1 19 10527 1 1 18 LYS N N 3.378 -1.210 3.275 1.00 . A A . 62 LYS N 1 1 19 10528 1 1 18 LYS NZ N 6.437 -3.712 7.882 1.00 . A A . 62 LYS NZ 1 1 19 10529 1 1 18 LYS O O 5.621 -2.350 2.080 1.00 . A A . 62 LYS O 1 1 19 10530 1 1 19 ASP C C 8.525 -4.058 3.629 1.00 . A A . 63 ASP C 1 1 19 10531 1 1 19 ASP CA C 8.010 -2.657 3.289 1.00 . A A . 63 ASP CA 1 1 19 10532 1 1 19 ASP CB C 8.959 -1.587 3.833 1.00 . A A . 63 ASP CB 1 1 19 10533 1 1 19 ASP CG C 10.375 -1.845 3.314 1.00 . A A . 63 ASP CG 1 1 19 10534 1 1 19 ASP H H 6.687 -2.363 4.962 1.00 . A A . 63 ASP H 1 1 19 10535 1 1 19 ASP HA H 7.896 -2.543 2.223 1.00 . A A . 63 ASP HA 1 1 19 10536 1 1 19 ASP HB2 H 8.627 -0.613 3.506 1.00 . A A . 63 ASP HB2 1 1 19 10537 1 1 19 ASP HB3 H 8.962 -1.623 4.912 1.00 . A A . 63 ASP HB3 1 1 19 10538 1 1 19 ASP N N 6.715 -2.415 3.983 1.00 . A A . 63 ASP N 1 1 19 10539 1 1 19 ASP O O 8.953 -4.319 4.735 1.00 . A A . 63 ASP O 1 1 19 10540 1 1 19 ASP OD1 O 10.566 -2.846 2.642 1.00 . A A . 63 ASP OD1 1 1 19 10541 1 1 19 ASP OD2 O 11.245 -1.037 3.596 1.00 . A A . 63 ASP OD2 1 1 19 10542 1 1 20 GLN C C 10.356 -6.553 2.326 1.00 . A A . 64 GLN C 1 1 19 10543 1 1 20 GLN CA C 8.981 -6.344 2.968 1.00 . A A . 64 GLN CA 1 1 19 10544 1 1 20 GLN CB C 7.948 -7.330 2.377 1.00 . A A . 64 GLN CB 1 1 19 10545 1 1 20 GLN CD C 5.739 -7.617 1.236 1.00 . A A . 64 GLN CD 1 1 19 10546 1 1 20 GLN CG C 6.762 -6.594 1.735 1.00 . A A . 64 GLN CG 1 1 19 10547 1 1 20 GLN H H 8.144 -4.730 1.800 1.00 . A A . 64 GLN H 1 1 19 10548 1 1 20 GLN HA H 9.052 -6.495 4.035 1.00 . A A . 64 GLN HA 1 1 19 10549 1 1 20 GLN HB2 H 8.430 -7.939 1.628 1.00 . A A . 64 GLN HB2 1 1 19 10550 1 1 20 GLN HB3 H 7.580 -7.969 3.167 1.00 . A A . 64 GLN HB3 1 1 19 10551 1 1 20 GLN HE21 H 4.673 -7.576 2.913 1.00 . A A . 64 GLN HE21 1 1 19 10552 1 1 20 GLN HE22 H 4.090 -8.626 1.700 1.00 . A A . 64 GLN HE22 1 1 19 10553 1 1 20 GLN HG2 H 6.296 -5.948 2.468 1.00 . A A . 64 GLN HG2 1 1 19 10554 1 1 20 GLN HG3 H 7.112 -6.004 0.903 1.00 . A A . 64 GLN HG3 1 1 19 10555 1 1 20 GLN N N 8.489 -4.960 2.688 1.00 . A A . 64 GLN N 1 1 19 10556 1 1 20 GLN NE2 N 4.752 -7.969 2.013 1.00 . A A . 64 GLN NE2 1 1 19 10557 1 1 20 GLN O O 10.832 -5.730 1.571 1.00 . A A . 64 GLN O 1 1 19 10558 1 1 20 GLN OE1 O 5.839 -8.101 0.126 1.00 . A A . 64 GLN OE1 1 1 19 10559 1 1 21 LEU C C 12.250 -8.337 0.598 1.00 . A A . 65 LEU C 1 1 19 10560 1 1 21 LEU CA C 12.355 -7.908 2.060 1.00 . A A . 65 LEU CA 1 1 19 10561 1 1 21 LEU CB C 12.935 -9.038 2.911 1.00 . A A . 65 LEU CB 1 1 19 10562 1 1 21 LEU CD1 C 15.046 -9.467 4.174 1.00 . A A . 65 LEU CD1 1 1 19 10563 1 1 21 LEU CD2 C 14.945 -9.919 1.720 1.00 . A A . 65 LEU CD2 1 1 19 10564 1 1 21 LEU CG C 14.462 -8.996 2.841 1.00 . A A . 65 LEU CG 1 1 19 10565 1 1 21 LEU H H 10.599 -8.288 3.254 1.00 . A A . 65 LEU H 1 1 19 10566 1 1 21 LEU HA H 12.968 -7.032 2.145 1.00 . A A . 65 LEU HA 1 1 19 10567 1 1 21 LEU HB2 H 12.616 -8.915 3.936 1.00 . A A . 65 LEU HB2 1 1 19 10568 1 1 21 LEU HB3 H 12.585 -9.987 2.535 1.00 . A A . 65 LEU HB3 1 1 19 10569 1 1 21 LEU HD11 H 14.300 -10.024 4.718 1.00 . A A . 65 LEU HD11 1 1 19 10570 1 1 21 LEU HD12 H 15.903 -10.099 3.989 1.00 . A A . 65 LEU HD12 1 1 19 10571 1 1 21 LEU HD13 H 15.352 -8.610 4.756 1.00 . A A . 65 LEU HD13 1 1 19 10572 1 1 21 LEU HD21 H 14.475 -10.885 1.822 1.00 . A A . 65 LEU HD21 1 1 19 10573 1 1 21 LEU HD22 H 14.685 -9.490 0.763 1.00 . A A . 65 LEU HD22 1 1 19 10574 1 1 21 LEU HD23 H 16.017 -10.032 1.784 1.00 . A A . 65 LEU HD23 1 1 19 10575 1 1 21 LEU HG H 14.786 -7.984 2.643 1.00 . A A . 65 LEU HG 1 1 19 10576 1 1 21 LEU N N 11.001 -7.646 2.635 1.00 . A A . 65 LEU N 1 1 19 10577 1 1 21 LEU O O 13.211 -8.293 -0.145 1.00 . A A . 65 LEU O 1 1 19 10578 1 1 22 GLN C C 10.375 -7.991 -2.055 1.00 . A A . 66 GLN C 1 1 19 10579 1 1 22 GLN CA C 10.920 -9.170 -1.238 1.00 . A A . 66 GLN CA 1 1 19 10580 1 1 22 GLN CB C 9.925 -10.344 -1.168 1.00 . A A . 66 GLN CB 1 1 19 10581 1 1 22 GLN CD C 9.457 -10.395 -3.626 1.00 . A A . 66 GLN CD 1 1 19 10582 1 1 22 GLN CG C 8.837 -10.209 -2.239 1.00 . A A . 66 GLN CG 1 1 19 10583 1 1 22 GLN H H 10.332 -8.764 0.791 1.00 . A A . 66 GLN H 1 1 19 10584 1 1 22 GLN HA H 11.860 -9.507 -1.646 1.00 . A A . 66 GLN HA 1 1 19 10585 1 1 22 GLN HB2 H 10.458 -11.271 -1.319 1.00 . A A . 66 GLN HB2 1 1 19 10586 1 1 22 GLN HB3 H 9.462 -10.357 -0.192 1.00 . A A . 66 GLN HB3 1 1 19 10587 1 1 22 GLN HE21 H 10.263 -12.155 -3.184 1.00 . A A . 66 GLN HE21 1 1 19 10588 1 1 22 GLN HE22 H 10.548 -11.602 -4.764 1.00 . A A . 66 GLN HE22 1 1 19 10589 1 1 22 GLN HG2 H 8.079 -10.962 -2.077 1.00 . A A . 66 GLN HG2 1 1 19 10590 1 1 22 GLN HG3 H 8.392 -9.228 -2.173 1.00 . A A . 66 GLN HG3 1 1 19 10591 1 1 22 GLN N N 11.092 -8.744 0.178 1.00 . A A . 66 GLN N 1 1 19 10592 1 1 22 GLN NE2 N 10.147 -11.474 -3.878 1.00 . A A . 66 GLN NE2 1 1 19 10593 1 1 22 GLN O O 10.603 -7.884 -3.244 1.00 . A A . 66 GLN O 1 1 19 10594 1 1 22 GLN OE1 O 9.313 -9.550 -4.486 1.00 . A A . 66 GLN OE1 1 1 19 10595 1 1 23 SER C C 8.301 -5.072 -1.133 1.00 . A A . 67 SER C 1 1 19 10596 1 1 23 SER CA C 9.096 -5.930 -2.126 1.00 . A A . 67 SER CA 1 1 19 10597 1 1 23 SER CB C 8.185 -6.519 -3.206 1.00 . A A . 67 SER CB 1 1 19 10598 1 1 23 SER H H 9.499 -7.221 -0.454 1.00 . A A . 67 SER H 1 1 19 10599 1 1 23 SER HA H 9.884 -5.350 -2.581 1.00 . A A . 67 SER HA 1 1 19 10600 1 1 23 SER HB2 H 7.698 -5.722 -3.742 1.00 . A A . 67 SER HB2 1 1 19 10601 1 1 23 SER HB3 H 8.778 -7.103 -3.897 1.00 . A A . 67 SER HB3 1 1 19 10602 1 1 23 SER HG H 7.535 -7.623 -1.739 1.00 . A A . 67 SER HG 1 1 19 10603 1 1 23 SER N N 9.662 -7.109 -1.414 1.00 . A A . 67 SER N 1 1 19 10604 1 1 23 SER O O 8.841 -4.586 -0.159 1.00 . A A . 67 SER O 1 1 19 10605 1 1 23 SER OG O 7.199 -7.340 -2.593 1.00 . A A . 67 SER OG 1 1 19 10606 1 1 24 TYR C C 4.732 -4.391 -0.594 1.00 . A A . 68 TYR C 1 1 19 10607 1 1 24 TYR CA C 6.216 -4.075 -0.407 1.00 . A A . 68 TYR CA 1 1 19 10608 1 1 24 TYR CB C 6.517 -2.622 -0.765 1.00 . A A . 68 TYR CB 1 1 19 10609 1 1 24 TYR CD1 C 4.948 -1.989 -2.632 1.00 . A A . 68 TYR CD1 1 1 19 10610 1 1 24 TYR CD2 C 7.236 -2.576 -3.180 1.00 . A A . 68 TYR CD2 1 1 19 10611 1 1 24 TYR CE1 C 4.678 -1.774 -3.990 1.00 . A A . 68 TYR CE1 1 1 19 10612 1 1 24 TYR CE2 C 6.967 -2.361 -4.537 1.00 . A A . 68 TYR CE2 1 1 19 10613 1 1 24 TYR CG C 6.227 -2.391 -2.228 1.00 . A A . 68 TYR CG 1 1 19 10614 1 1 24 TYR CZ C 5.687 -1.961 -4.942 1.00 . A A . 68 TYR CZ 1 1 19 10615 1 1 24 TYR H H 6.599 -5.290 -2.138 1.00 . A A . 68 TYR H 1 1 19 10616 1 1 24 TYR HA H 6.517 -4.273 0.610 1.00 . A A . 68 TYR HA 1 1 19 10617 1 1 24 TYR HB2 H 5.897 -1.968 -0.165 1.00 . A A . 68 TYR HB2 1 1 19 10618 1 1 24 TYR HB3 H 7.560 -2.416 -0.565 1.00 . A A . 68 TYR HB3 1 1 19 10619 1 1 24 TYR HD1 H 4.169 -1.846 -1.897 1.00 . A A . 68 TYR HD1 1 1 19 10620 1 1 24 TYR HD2 H 8.223 -2.885 -2.868 1.00 . A A . 68 TYR HD2 1 1 19 10621 1 1 24 TYR HE1 H 3.691 -1.464 -4.301 1.00 . A A . 68 TYR HE1 1 1 19 10622 1 1 24 TYR HE2 H 7.746 -2.504 -5.272 1.00 . A A . 68 TYR HE2 1 1 19 10623 1 1 24 TYR HH H 4.728 -1.088 -6.343 1.00 . A A . 68 TYR HH 1 1 19 10624 1 1 24 TYR N N 7.027 -4.889 -1.356 1.00 . A A . 68 TYR N 1 1 19 10625 1 1 24 TYR O O 4.281 -4.671 -1.687 1.00 . A A . 68 TYR O 1 1 19 10626 1 1 24 TYR OH O 5.421 -1.749 -6.279 1.00 . A A . 68 TYR OH 1 1 19 10627 1 1 25 ILE C C 1.685 -3.638 1.104 1.00 . A A . 69 ILE C 1 1 19 10628 1 1 25 ILE CA C 2.518 -4.671 0.338 1.00 . A A . 69 ILE CA 1 1 19 10629 1 1 25 ILE CB C 2.371 -6.067 0.947 1.00 . A A . 69 ILE CB 1 1 19 10630 1 1 25 ILE CD1 C 0.063 -6.103 1.981 1.00 . A A . 69 ILE CD1 1 1 19 10631 1 1 25 ILE CG1 C 0.919 -6.550 0.788 1.00 . A A . 69 ILE CG1 1 1 19 10632 1 1 25 ILE CG2 C 2.768 -6.031 2.425 1.00 . A A . 69 ILE CG2 1 1 19 10633 1 1 25 ILE H H 4.353 -4.138 1.338 1.00 . A A . 69 ILE H 1 1 19 10634 1 1 25 ILE HA H 2.228 -4.690 -0.700 1.00 . A A . 69 ILE HA 1 1 19 10635 1 1 25 ILE HB H 3.029 -6.747 0.424 1.00 . A A . 69 ILE HB 1 1 19 10636 1 1 25 ILE HD11 H 0.106 -5.029 2.075 1.00 . A A . 69 ILE HD11 1 1 19 10637 1 1 25 ILE HD12 H -0.960 -6.410 1.824 1.00 . A A . 69 ILE HD12 1 1 19 10638 1 1 25 ILE HD13 H 0.440 -6.559 2.884 1.00 . A A . 69 ILE HD13 1 1 19 10639 1 1 25 ILE HG12 H 0.505 -6.139 -0.120 1.00 . A A . 69 ILE HG12 1 1 19 10640 1 1 25 ILE HG13 H 0.910 -7.628 0.729 1.00 . A A . 69 ILE HG13 1 1 19 10641 1 1 25 ILE HG21 H 3.770 -5.642 2.518 1.00 . A A . 69 ILE HG21 1 1 19 10642 1 1 25 ILE HG22 H 2.083 -5.397 2.967 1.00 . A A . 69 ILE HG22 1 1 19 10643 1 1 25 ILE HG23 H 2.731 -7.031 2.831 1.00 . A A . 69 ILE HG23 1 1 19 10644 1 1 25 ILE N N 3.971 -4.359 0.463 1.00 . A A . 69 ILE N 1 1 19 10645 1 1 25 ILE O O 1.855 -3.438 2.287 1.00 . A A . 69 ILE O 1 1 19 10646 1 1 26 CYS C C -1.179 -2.609 1.892 1.00 . A A . 70 CYS C 1 1 19 10647 1 1 26 CYS CA C -0.040 -1.948 1.109 1.00 . A A . 70 CYS CA 1 1 19 10648 1 1 26 CYS CB C -0.544 -1.072 -0.042 1.00 . A A . 70 CYS CB 1 1 19 10649 1 1 26 CYS H H 0.675 -3.137 -0.525 1.00 . A A . 70 CYS H 1 1 19 10650 1 1 26 CYS HA H 0.567 -1.358 1.764 1.00 . A A . 70 CYS HA 1 1 19 10651 1 1 26 CYS HB2 H 0.020 -0.157 -0.064 1.00 . A A . 70 CYS HB2 1 1 19 10652 1 1 26 CYS HB3 H -0.375 -1.602 -0.951 1.00 . A A . 70 CYS HB3 1 1 19 10653 1 1 26 CYS N N 0.793 -2.973 0.431 1.00 . A A . 70 CYS N 1 1 19 10654 1 1 26 CYS O O -1.518 -3.757 1.688 1.00 . A A . 70 CYS O 1 1 19 10655 1 1 26 CYS SG S -2.313 -0.678 0.103 1.00 . A A . 70 CYS SG 1 1 19 10656 1 1 27 PHE C C -3.981 -1.324 3.711 1.00 . A A . 71 PHE C 1 1 19 10657 1 1 27 PHE CA C -2.890 -2.391 3.602 1.00 . A A . 71 PHE CA 1 1 19 10658 1 1 27 PHE CB C -2.283 -2.670 4.977 1.00 . A A . 71 PHE CB 1 1 19 10659 1 1 27 PHE CD1 C -2.470 -5.180 4.857 1.00 . A A . 71 PHE CD1 1 1 19 10660 1 1 27 PHE CD2 C -0.277 -4.185 5.136 1.00 . A A . 71 PHE CD2 1 1 19 10661 1 1 27 PHE CE1 C -1.894 -6.455 4.872 1.00 . A A . 71 PHE CE1 1 1 19 10662 1 1 27 PHE CE2 C 0.300 -5.460 5.152 1.00 . A A . 71 PHE CE2 1 1 19 10663 1 1 27 PHE CG C -1.661 -4.046 4.989 1.00 . A A . 71 PHE CG 1 1 19 10664 1 1 27 PHE CZ C -0.509 -6.596 5.020 1.00 . A A . 71 PHE CZ 1 1 19 10665 1 1 27 PHE H H -1.460 -0.949 2.901 1.00 . A A . 71 PHE H 1 1 19 10666 1 1 27 PHE HA H -3.284 -3.300 3.176 1.00 . A A . 71 PHE HA 1 1 19 10667 1 1 27 PHE HB2 H -1.522 -1.930 5.190 1.00 . A A . 71 PHE HB2 1 1 19 10668 1 1 27 PHE HB3 H -3.057 -2.619 5.729 1.00 . A A . 71 PHE HB3 1 1 19 10669 1 1 27 PHE HD1 H -3.538 -5.072 4.744 1.00 . A A . 71 PHE HD1 1 1 19 10670 1 1 27 PHE HD2 H 0.346 -3.308 5.238 1.00 . A A . 71 PHE HD2 1 1 19 10671 1 1 27 PHE HE1 H -2.518 -7.331 4.770 1.00 . A A . 71 PHE HE1 1 1 19 10672 1 1 27 PHE HE2 H 1.368 -5.568 5.265 1.00 . A A . 71 PHE HE2 1 1 19 10673 1 1 27 PHE HZ H -0.063 -7.580 5.032 1.00 . A A . 71 PHE HZ 1 1 19 10674 1 1 27 PHE N N -1.764 -1.866 2.779 1.00 . A A . 71 PHE N 1 1 19 10675 1 1 27 PHE O O -3.833 -0.344 4.413 1.00 . A A . 71 PHE O 1 1 19 10676 1 1 28 CYS C C -7.086 -0.765 4.261 1.00 . A A . 72 CYS C 1 1 19 10677 1 1 28 CYS CA C -6.159 -0.479 3.078 1.00 . A A . 72 CYS CA 1 1 19 10678 1 1 28 CYS CB C -6.935 -0.616 1.764 1.00 . A A . 72 CYS CB 1 1 19 10679 1 1 28 CYS H H -5.169 -2.290 2.450 1.00 . A A . 72 CYS H 1 1 19 10680 1 1 28 CYS HA H -5.742 0.513 3.157 1.00 . A A . 72 CYS HA 1 1 19 10681 1 1 28 CYS HB2 H -7.653 -1.413 1.860 1.00 . A A . 72 CYS HB2 1 1 19 10682 1 1 28 CYS HB3 H -7.453 0.310 1.557 1.00 . A A . 72 CYS HB3 1 1 19 10683 1 1 28 CYS N N -5.070 -1.498 3.018 1.00 . A A . 72 CYS N 1 1 19 10684 1 1 28 CYS O O -6.709 -1.407 5.221 1.00 . A A . 72 CYS O 1 1 19 10685 1 1 28 CYS SG S -5.809 -0.991 0.394 1.00 . A A . 72 CYS SG 1 1 19 10686 1 1 29 LEU C C -10.413 -1.415 4.789 1.00 . A A . 73 LEU C 1 1 19 10687 1 1 29 LEU CA C -9.264 -0.541 5.299 1.00 . A A . 73 LEU CA 1 1 19 10688 1 1 29 LEU CB C -9.779 0.845 5.698 1.00 . A A . 73 LEU CB 1 1 19 10689 1 1 29 LEU CD1 C -9.167 3.263 5.904 1.00 . A A . 73 LEU CD1 1 1 19 10690 1 1 29 LEU CD2 C -7.694 1.511 6.908 1.00 . A A . 73 LEU CD2 1 1 19 10691 1 1 29 LEU CG C -8.617 1.845 5.733 1.00 . A A . 73 LEU CG 1 1 19 10692 1 1 29 LEU H H -8.584 0.215 3.403 1.00 . A A . 73 LEU H 1 1 19 10693 1 1 29 LEU HA H -8.771 -1.011 6.135 1.00 . A A . 73 LEU HA 1 1 19 10694 1 1 29 LEU HB2 H -10.515 1.174 4.979 1.00 . A A . 73 LEU HB2 1 1 19 10695 1 1 29 LEU HB3 H -10.232 0.792 6.676 1.00 . A A . 73 LEU HB3 1 1 19 10696 1 1 29 LEU HD11 H -9.773 3.308 6.797 1.00 . A A . 73 LEU HD11 1 1 19 10697 1 1 29 LEU HD12 H -8.346 3.959 5.990 1.00 . A A . 73 LEU HD12 1 1 19 10698 1 1 29 LEU HD13 H -9.771 3.523 5.046 1.00 . A A . 73 LEU HD13 1 1 19 10699 1 1 29 LEU HD21 H -7.516 0.447 6.937 1.00 . A A . 73 LEU HD21 1 1 19 10700 1 1 29 LEU HD22 H -6.754 2.029 6.786 1.00 . A A . 73 LEU HD22 1 1 19 10701 1 1 29 LEU HD23 H -8.159 1.824 7.831 1.00 . A A . 73 LEU HD23 1 1 19 10702 1 1 29 LEU HG H -8.063 1.784 4.806 1.00 . A A . 73 LEU HG 1 1 19 10703 1 1 29 LEU N N -8.301 -0.297 4.190 1.00 . A A . 73 LEU N 1 1 19 10704 1 1 29 LEU O O -10.407 -1.838 3.650 1.00 . A A . 73 LEU O 1 1 19 10705 1 1 30 PRO C C -13.326 -1.792 4.147 1.00 . A A . 74 PRO C 1 1 19 10706 1 1 30 PRO CA C -12.537 -2.480 5.265 1.00 . A A . 74 PRO CA 1 1 19 10707 1 1 30 PRO CB C -13.371 -2.567 6.545 1.00 . A A . 74 PRO CB 1 1 19 10708 1 1 30 PRO CD C -11.452 -1.178 7.026 1.00 . A A . 74 PRO CD 1 1 19 10709 1 1 30 PRO CG C -12.479 -2.083 7.649 1.00 . A A . 74 PRO CG 1 1 19 10710 1 1 30 PRO HA H -12.222 -3.463 4.959 1.00 . A A . 74 PRO HA 1 1 19 10711 1 1 30 PRO HB2 H -14.246 -1.934 6.464 1.00 . A A . 74 PRO HB2 1 1 19 10712 1 1 30 PRO HB3 H -13.664 -3.590 6.731 1.00 . A A . 74 PRO HB3 1 1 19 10713 1 1 30 PRO HD2 H -11.786 -0.150 7.060 1.00 . A A . 74 PRO HD2 1 1 19 10714 1 1 30 PRO HD3 H -10.499 -1.287 7.518 1.00 . A A . 74 PRO HD3 1 1 19 10715 1 1 30 PRO HG2 H -13.061 -1.538 8.378 1.00 . A A . 74 PRO HG2 1 1 19 10716 1 1 30 PRO HG3 H -11.987 -2.920 8.119 1.00 . A A . 74 PRO HG3 1 1 19 10717 1 1 30 PRO N N -11.367 -1.652 5.646 1.00 . A A . 74 PRO N 1 1 19 10718 1 1 30 PRO O O -14.222 -2.364 3.560 1.00 . A A . 74 PRO O 1 1 19 10719 1 1 31 ALA C C -13.069 -0.068 1.417 1.00 . A A . 75 ALA C 1 1 19 10720 1 1 31 ALA CA C -13.726 0.172 2.779 1.00 . A A . 75 ALA CA 1 1 19 10721 1 1 31 ALA CB C -13.611 1.645 3.169 1.00 . A A . 75 ALA CB 1 1 19 10722 1 1 31 ALA H H -12.276 -0.120 4.341 1.00 . A A . 75 ALA H 1 1 19 10723 1 1 31 ALA HA H -14.763 -0.122 2.756 1.00 . A A . 75 ALA HA 1 1 19 10724 1 1 31 ALA HB1 H -12.590 1.865 3.445 1.00 . A A . 75 ALA HB1 1 1 19 10725 1 1 31 ALA HB2 H -13.899 2.264 2.331 1.00 . A A . 75 ALA HB2 1 1 19 10726 1 1 31 ALA HB3 H -14.262 1.848 4.007 1.00 . A A . 75 ALA HB3 1 1 19 10727 1 1 31 ALA N N -12.999 -0.563 3.853 1.00 . A A . 75 ALA N 1 1 19 10728 1 1 31 ALA O O -13.725 -0.071 0.395 1.00 . A A . 75 ALA O 1 1 19 10729 1 1 32 PHE C C -10.412 -1.858 0.065 1.00 . A A . 76 PHE C 1 1 19 10730 1 1 32 PHE CA C -11.090 -0.485 0.087 1.00 . A A . 76 PHE CA 1 1 19 10731 1 1 32 PHE CB C -10.045 0.627 -0.017 1.00 . A A . 76 PHE CB 1 1 19 10732 1 1 32 PHE CD1 C -11.399 2.693 -0.518 1.00 . A A . 76 PHE CD1 1 1 19 10733 1 1 32 PHE CD2 C -10.491 2.407 1.712 1.00 . A A . 76 PHE CD2 1 1 19 10734 1 1 32 PHE CE1 C -11.970 3.910 -0.131 1.00 . A A . 76 PHE CE1 1 1 19 10735 1 1 32 PHE CE2 C -11.061 3.625 2.100 1.00 . A A . 76 PHE CE2 1 1 19 10736 1 1 32 PHE CG C -10.660 1.942 0.403 1.00 . A A . 76 PHE CG 1 1 19 10737 1 1 32 PHE CZ C -11.801 4.376 1.180 1.00 . A A . 76 PHE CZ 1 1 19 10738 1 1 32 PHE H H -11.262 -0.245 2.220 1.00 . A A . 76 PHE H 1 1 19 10739 1 1 32 PHE HA H -11.794 -0.402 -0.723 1.00 . A A . 76 PHE HA 1 1 19 10740 1 1 32 PHE HB2 H -9.207 0.400 0.629 1.00 . A A . 76 PHE HB2 1 1 19 10741 1 1 32 PHE HB3 H -9.701 0.703 -1.040 1.00 . A A . 76 PHE HB3 1 1 19 10742 1 1 32 PHE HD1 H -11.528 2.334 -1.529 1.00 . A A . 76 PHE HD1 1 1 19 10743 1 1 32 PHE HD2 H -9.920 1.827 2.421 1.00 . A A . 76 PHE HD2 1 1 19 10744 1 1 32 PHE HE1 H -12.540 4.489 -0.841 1.00 . A A . 76 PHE HE1 1 1 19 10745 1 1 32 PHE HE2 H -10.931 3.984 3.110 1.00 . A A . 76 PHE HE2 1 1 19 10746 1 1 32 PHE HZ H -12.241 5.315 1.480 1.00 . A A . 76 PHE HZ 1 1 19 10747 1 1 32 PHE N N -11.778 -0.258 1.389 1.00 . A A . 76 PHE N 1 1 19 10748 1 1 32 PHE O O -10.271 -2.511 1.080 1.00 . A A . 76 PHE O 1 1 19 10749 1 1 33 GLU C C -8.100 -3.511 -2.120 1.00 . A A . 77 GLU C 1 1 19 10750 1 1 33 GLU CA C -9.312 -3.619 -1.190 1.00 . A A . 77 GLU CA 1 1 19 10751 1 1 33 GLU CB C -10.365 -4.557 -1.780 1.00 . A A . 77 GLU CB 1 1 19 10752 1 1 33 GLU CD C -10.187 -5.941 0.292 1.00 . A A . 77 GLU CD 1 1 19 10753 1 1 33 GLU CG C -10.150 -5.971 -1.237 1.00 . A A . 77 GLU CG 1 1 19 10754 1 1 33 GLU H H -10.110 -1.746 -1.893 1.00 . A A . 77 GLU H 1 1 19 10755 1 1 33 GLU HA H -9.011 -3.965 -0.214 1.00 . A A . 77 GLU HA 1 1 19 10756 1 1 33 GLU HB2 H -11.350 -4.210 -1.507 1.00 . A A . 77 GLU HB2 1 1 19 10757 1 1 33 GLU HB3 H -10.273 -4.570 -2.856 1.00 . A A . 77 GLU HB3 1 1 19 10758 1 1 33 GLU HG2 H -10.932 -6.620 -1.604 1.00 . A A . 77 GLU HG2 1 1 19 10759 1 1 33 GLU HG3 H -9.191 -6.341 -1.564 1.00 . A A . 77 GLU HG3 1 1 19 10760 1 1 33 GLU N N -9.988 -2.294 -1.089 1.00 . A A . 77 GLU N 1 1 19 10761 1 1 33 GLU O O -7.376 -2.538 -2.097 1.00 . A A . 77 GLU O 1 1 19 10762 1 1 33 GLU OE1 O -10.657 -4.954 0.835 1.00 . A A . 77 GLU OE1 1 1 19 10763 1 1 33 GLU OE2 O -9.743 -6.904 0.895 1.00 . A A . 77 GLU OE2 1 1 19 10764 1 1 34 GLY C C -5.419 -4.265 -3.065 1.00 . A A . 78 GLY C 1 1 19 10765 1 1 34 GLY CA C -6.709 -4.439 -3.869 1.00 . A A . 78 GLY CA 1 1 19 10766 1 1 34 GLY H H -8.470 -5.276 -2.950 1.00 . A A . 78 GLY H 1 1 19 10767 1 1 34 GLY HA2 H -6.658 -5.356 -4.440 1.00 . A A . 78 GLY HA2 1 1 19 10768 1 1 34 GLY HA3 H -6.826 -3.603 -4.540 1.00 . A A . 78 GLY HA3 1 1 19 10769 1 1 34 GLY N N -7.874 -4.499 -2.940 1.00 . A A . 78 GLY N 1 1 19 10770 1 1 34 GLY O O -5.430 -3.790 -1.946 1.00 . A A . 78 GLY O 1 1 19 10771 1 1 35 ARG C C -2.695 -3.031 -2.635 1.00 . A A . 79 ARG C 1 1 19 10772 1 1 35 ARG CA C -3.015 -4.507 -2.891 1.00 . A A . 79 ARG CA 1 1 19 10773 1 1 35 ARG CB C -1.968 -5.129 -3.814 1.00 . A A . 79 ARG CB 1 1 19 10774 1 1 35 ARG CD C -1.062 -7.282 -4.702 1.00 . A A . 79 ARG CD 1 1 19 10775 1 1 35 ARG CG C -2.205 -6.637 -3.917 1.00 . A A . 79 ARG CG 1 1 19 10776 1 1 35 ARG CZ C 1.215 -6.828 -4.013 1.00 . A A . 79 ARG CZ 1 1 19 10777 1 1 35 ARG H H -4.317 -5.028 -4.527 1.00 . A A . 79 ARG H 1 1 19 10778 1 1 35 ARG HA H -3.051 -5.050 -1.960 1.00 . A A . 79 ARG HA 1 1 19 10779 1 1 35 ARG HB2 H -2.044 -4.684 -4.797 1.00 . A A . 79 ARG HB2 1 1 19 10780 1 1 35 ARG HB3 H -0.981 -4.949 -3.414 1.00 . A A . 79 ARG HB3 1 1 19 10781 1 1 35 ARG HD2 H -1.351 -8.267 -5.044 1.00 . A A . 79 ARG HD2 1 1 19 10782 1 1 35 ARG HD3 H -0.780 -6.661 -5.537 1.00 . A A . 79 ARG HD3 1 1 19 10783 1 1 35 ARG HE H -0.058 -7.852 -2.885 1.00 . A A . 79 ARG HE 1 1 19 10784 1 1 35 ARG HG2 H -2.246 -7.062 -2.924 1.00 . A A . 79 ARG HG2 1 1 19 10785 1 1 35 ARG HG3 H -3.138 -6.821 -4.426 1.00 . A A . 79 ARG HG3 1 1 19 10786 1 1 35 ARG HH11 H 1.619 -8.081 -5.523 1.00 . A A . 79 ARG HH11 1 1 19 10787 1 1 35 ARG HH12 H 2.823 -6.877 -5.204 1.00 . A A . 79 ARG HH12 1 1 19 10788 1 1 35 ARG HH21 H 1.080 -5.448 -2.570 1.00 . A A . 79 ARG HH21 1 1 19 10789 1 1 35 ARG HH22 H 2.519 -5.387 -3.532 1.00 . A A . 79 ARG HH22 1 1 19 10790 1 1 35 ARG N N -4.305 -4.647 -3.624 1.00 . A A . 79 ARG N 1 1 19 10791 1 1 35 ARG NE N 0.065 -7.378 -3.733 1.00 . A A . 79 ARG NE 1 1 19 10792 1 1 35 ARG NH1 N 1.943 -7.299 -4.990 1.00 . A A . 79 ARG NH1 1 1 19 10793 1 1 35 ARG NH2 N 1.638 -5.809 -3.318 1.00 . A A . 79 ARG NH2 1 1 19 10794 1 1 35 ARG O O -1.969 -2.697 -1.722 1.00 . A A . 79 ARG O 1 1 19 10795 1 1 36 ASN C C -4.235 0.095 -3.030 1.00 . A A . 80 ASN C 1 1 19 10796 1 1 36 ASN CA C -2.936 -0.693 -3.233 1.00 . A A . 80 ASN CA 1 1 19 10797 1 1 36 ASN CB C -2.242 -0.248 -4.521 1.00 . A A . 80 ASN CB 1 1 19 10798 1 1 36 ASN CG C -1.015 -1.126 -4.770 1.00 . A A . 80 ASN CG 1 1 19 10799 1 1 36 ASN H H -3.805 -2.431 -4.171 1.00 . A A . 80 ASN H 1 1 19 10800 1 1 36 ASN HA H -2.272 -0.551 -2.392 1.00 . A A . 80 ASN HA 1 1 19 10801 1 1 36 ASN HB2 H -2.929 -0.345 -5.351 1.00 . A A . 80 ASN HB2 1 1 19 10802 1 1 36 ASN HB3 H -1.934 0.782 -4.428 1.00 . A A . 80 ASN HB3 1 1 19 10803 1 1 36 ASN HD21 H 0.279 0.319 -4.331 1.00 . A A . 80 ASN HD21 1 1 19 10804 1 1 36 ASN HD22 H 0.973 -1.177 -4.766 1.00 . A A . 80 ASN HD22 1 1 19 10805 1 1 36 ASN N N -3.224 -2.144 -3.436 1.00 . A A . 80 ASN N 1 1 19 10806 1 1 36 ASN ND2 N 0.177 -0.619 -4.609 1.00 . A A . 80 ASN ND2 1 1 19 10807 1 1 36 ASN O O -4.288 1.286 -3.263 1.00 . A A . 80 ASN O 1 1 19 10808 1 1 36 ASN OD1 O -1.140 -2.284 -5.113 1.00 . A A . 80 ASN OD1 1 1 19 10809 1 1 37 CYS C C -7.121 0.672 -3.719 1.00 . A A . 81 CYS C 1 1 19 10810 1 1 37 CYS CA C -6.572 0.167 -2.383 1.00 . A A . 81 CYS CA 1 1 19 10811 1 1 37 CYS CB C -6.238 1.348 -1.467 1.00 . A A . 81 CYS CB 1 1 19 10812 1 1 37 CYS H H -5.222 -1.519 -2.415 1.00 . A A . 81 CYS H 1 1 19 10813 1 1 37 CYS HA H -7.290 -0.477 -1.903 1.00 . A A . 81 CYS HA 1 1 19 10814 1 1 37 CYS HB2 H -5.772 2.132 -2.046 1.00 . A A . 81 CYS HB2 1 1 19 10815 1 1 37 CYS HB3 H -7.147 1.723 -1.021 1.00 . A A . 81 CYS HB3 1 1 19 10816 1 1 37 CYS N N -5.282 -0.556 -2.598 1.00 . A A . 81 CYS N 1 1 19 10817 1 1 37 CYS O O -8.071 1.428 -3.768 1.00 . A A . 81 CYS O 1 1 19 10818 1 1 37 CYS SG S -5.105 0.815 -0.158 1.00 . A A . 81 CYS SG 1 1 19 10819 1 1 38 GLU C C -8.439 0.218 -6.385 1.00 . A A . 82 GLU C 1 1 19 10820 1 1 38 GLU CA C -7.011 0.719 -6.140 1.00 . A A . 82 GLU CA 1 1 19 10821 1 1 38 GLU CB C -6.030 0.099 -7.142 1.00 . A A . 82 GLU CB 1 1 19 10822 1 1 38 GLU CD C -5.749 -0.731 -9.483 1.00 . A A . 82 GLU CD 1 1 19 10823 1 1 38 GLU CG C -6.677 0.021 -8.527 1.00 . A A . 82 GLU CG 1 1 19 10824 1 1 38 GLU H H -5.761 -0.346 -4.746 1.00 . A A . 82 GLU H 1 1 19 10825 1 1 38 GLU HA H -6.972 1.795 -6.206 1.00 . A A . 82 GLU HA 1 1 19 10826 1 1 38 GLU HB2 H -5.140 0.711 -7.196 1.00 . A A . 82 GLU HB2 1 1 19 10827 1 1 38 GLU HB3 H -5.764 -0.896 -6.814 1.00 . A A . 82 GLU HB3 1 1 19 10828 1 1 38 GLU HG2 H -7.620 -0.501 -8.454 1.00 . A A . 82 GLU HG2 1 1 19 10829 1 1 38 GLU HG3 H -6.845 1.020 -8.903 1.00 . A A . 82 GLU HG3 1 1 19 10830 1 1 38 GLU N N -6.527 0.263 -4.806 1.00 . A A . 82 GLU N 1 1 19 10831 1 1 38 GLU O O -9.115 0.665 -7.291 1.00 . A A . 82 GLU O 1 1 19 10832 1 1 38 GLU OE1 O -4.749 -0.157 -9.880 1.00 . A A . 82 GLU OE1 1 1 19 10833 1 1 38 GLU OE2 O -6.054 -1.868 -9.800 1.00 . A A . 82 GLU OE2 1 1 19 10834 1 1 39 THR C C -11.189 -0.792 -4.630 1.00 . A A . 83 THR C 1 1 19 10835 1 1 39 THR CA C -10.282 -1.234 -5.783 1.00 . A A . 83 THR CA 1 1 19 10836 1 1 39 THR CB C -10.127 -2.756 -5.789 1.00 . A A . 83 THR CB 1 1 19 10837 1 1 39 THR CG2 C -11.507 -3.412 -5.820 1.00 . A A . 83 THR CG2 1 1 19 10838 1 1 39 THR H H -8.339 -1.056 -4.866 1.00 . A A . 83 THR H 1 1 19 10839 1 1 39 THR HA H -10.683 -0.901 -6.727 1.00 . A A . 83 THR HA 1 1 19 10840 1 1 39 THR HB H -9.605 -3.068 -4.898 1.00 . A A . 83 THR HB 1 1 19 10841 1 1 39 THR HG1 H -8.472 -3.274 -6.669 1.00 . A A . 83 THR HG1 1 1 19 10842 1 1 39 THR HG21 H -12.191 -2.841 -5.208 1.00 . A A . 83 THR HG21 1 1 19 10843 1 1 39 THR HG22 H -11.871 -3.438 -6.837 1.00 . A A . 83 THR HG22 1 1 19 10844 1 1 39 THR HG23 H -11.437 -4.419 -5.438 1.00 . A A . 83 THR HG23 1 1 19 10845 1 1 39 THR N N -8.900 -0.706 -5.589 1.00 . A A . 83 THR N 1 1 19 10846 1 1 39 THR O O -11.281 -1.448 -3.613 1.00 . A A . 83 THR O 1 1 19 10847 1 1 39 THR OG1 O -9.386 -3.150 -6.935 1.00 . A A . 83 THR OG1 1 1 19 10848 1 1 40 HIS C C -13.984 -0.128 -3.581 1.00 . A A . 84 HIS C 1 1 19 10849 1 1 40 HIS CA C -12.768 0.795 -3.699 1.00 . A A . 84 HIS CA 1 1 19 10850 1 1 40 HIS CB C -13.201 2.197 -4.133 1.00 . A A . 84 HIS CB 1 1 19 10851 1 1 40 HIS CD2 C -11.179 3.788 -3.602 1.00 . A A . 84 HIS CD2 1 1 19 10852 1 1 40 HIS CE1 C -10.386 3.972 -5.609 1.00 . A A . 84 HIS CE1 1 1 19 10853 1 1 40 HIS CG C -11.985 3.033 -4.418 1.00 . A A . 84 HIS CG 1 1 19 10854 1 1 40 HIS H H -11.778 0.830 -5.614 1.00 . A A . 84 HIS H 1 1 19 10855 1 1 40 HIS HA H -12.239 0.848 -2.761 1.00 . A A . 84 HIS HA 1 1 19 10856 1 1 40 HIS HB2 H -13.807 2.126 -5.025 1.00 . A A . 84 HIS HB2 1 1 19 10857 1 1 40 HIS HB3 H -13.776 2.656 -3.343 1.00 . A A . 84 HIS HB3 1 1 19 10858 1 1 40 HIS HD1 H -11.808 2.747 -6.509 1.00 . A A . 84 HIS HD1 1 1 19 10859 1 1 40 HIS HD2 H -11.307 3.904 -2.535 1.00 . A A . 84 HIS HD2 1 1 19 10860 1 1 40 HIS HE1 H -9.775 4.256 -6.453 1.00 . A A . 84 HIS HE1 1 1 19 10861 1 1 40 HIS N N -11.864 0.316 -4.785 1.00 . A A . 84 HIS N 1 1 19 10862 1 1 40 HIS ND1 N -11.460 3.165 -5.694 1.00 . A A . 84 HIS ND1 1 1 19 10863 1 1 40 HIS NE2 N -10.171 4.380 -4.357 1.00 . A A . 84 HIS NE2 1 1 19 10864 1 1 40 HIS O O -14.703 -0.346 -4.535 1.00 . A A . 84 HIS O 1 1 19 10865 1 1 41 LYS C C -16.689 -0.831 -2.530 1.00 . A A . 85 LYS C 1 1 19 10866 1 1 41 LYS CA C -15.386 -1.583 -2.244 1.00 . A A . 85 LYS CA 1 1 19 10867 1 1 41 LYS CB C -15.332 -2.023 -0.781 1.00 . A A . 85 LYS CB 1 1 19 10868 1 1 41 LYS CD C -13.975 -3.232 0.935 1.00 . A A . 85 LYS CD 1 1 19 10869 1 1 41 LYS CE C -13.214 -4.558 0.979 1.00 . A A . 85 LYS CE 1 1 19 10870 1 1 41 LYS CG C -13.988 -2.699 -0.499 1.00 . A A . 85 LYS CG 1 1 19 10871 1 1 41 LYS H H -13.624 -0.486 -1.661 1.00 . A A . 85 LYS H 1 1 19 10872 1 1 41 LYS HA H -15.296 -2.441 -2.891 1.00 . A A . 85 LYS HA 1 1 19 10873 1 1 41 LYS HB2 H -15.442 -1.158 -0.140 1.00 . A A . 85 LYS HB2 1 1 19 10874 1 1 41 LYS HB3 H -16.132 -2.723 -0.585 1.00 . A A . 85 LYS HB3 1 1 19 10875 1 1 41 LYS HD2 H -13.491 -2.514 1.580 1.00 . A A . 85 LYS HD2 1 1 19 10876 1 1 41 LYS HD3 H -14.990 -3.390 1.269 1.00 . A A . 85 LYS HD3 1 1 19 10877 1 1 41 LYS HE2 H -12.678 -4.714 0.054 1.00 . A A . 85 LYS HE2 1 1 19 10878 1 1 41 LYS HE3 H -12.533 -4.574 1.817 1.00 . A A . 85 LYS HE3 1 1 19 10879 1 1 41 LYS HG2 H -13.846 -3.517 -1.191 1.00 . A A . 85 LYS HG2 1 1 19 10880 1 1 41 LYS HG3 H -13.192 -1.981 -0.622 1.00 . A A . 85 LYS HG3 1 1 19 10881 1 1 41 LYS HZ1 H -14.989 -5.252 1.816 1.00 . A A . 85 LYS HZ1 1 1 19 10882 1 1 41 LYS HZ2 H -14.704 -5.808 0.237 1.00 . A A . 85 LYS HZ2 1 1 19 10883 1 1 41 LYS HZ3 H -13.836 -6.464 1.541 1.00 . A A . 85 LYS HZ3 1 1 19 10884 1 1 41 LYS N N -14.216 -0.673 -2.419 1.00 . A A . 85 LYS N 1 1 19 10885 1 1 41 LYS NZ N -14.265 -5.599 1.157 1.00 . A A . 85 LYS NZ 1 1 19 10886 1 1 41 LYS O O -17.362 -0.468 -1.580 1.00 . A A . 85 LYS O 1 1 19 10887 1 1 41 LYS OXT O -16.990 -0.631 -3.696 1.00 . A A . 85 LYS OXT 1 1 20 10888 1 1 1 SER C C 16.631 1.579 4.463 1.00 . A A . 45 SER C 1 1 20 10889 1 1 1 SER CA C 17.825 2.524 4.634 1.00 . A A . 45 SER CA 1 1 20 10890 1 1 1 SER CB C 19.134 1.737 4.650 1.00 . A A . 45 SER CB 1 1 20 10891 1 1 1 SER H1 H 16.841 3.665 6.073 1.00 . A A . 45 SER H1 1 1 20 10892 1 1 1 SER H2 H 17.881 2.490 6.716 1.00 . A A . 45 SER H2 1 1 20 10893 1 1 1 SER H3 H 18.523 3.905 6.029 1.00 . A A . 45 SER H3 1 1 20 10894 1 1 1 SER HA H 17.843 3.256 3.842 1.00 . A A . 45 SER HA 1 1 20 10895 1 1 1 SER HB2 H 19.565 1.769 5.636 1.00 . A A . 45 SER HB2 1 1 20 10896 1 1 1 SER HB3 H 18.937 0.708 4.379 1.00 . A A . 45 SER HB3 1 1 20 10897 1 1 1 SER HG H 19.615 2.344 2.864 1.00 . A A . 45 SER HG 1 1 20 10898 1 1 1 SER N N 17.763 3.197 5.963 1.00 . A A . 45 SER N 1 1 20 10899 1 1 1 SER O O 15.921 1.286 5.404 1.00 . A A . 45 SER O 1 1 20 10900 1 1 1 SER OG O 20.042 2.318 3.724 1.00 . A A . 45 SER OG 1 1 20 10901 1 1 2 ASP C C 13.939 0.883 3.363 1.00 . A A . 46 ASP C 1 1 20 10902 1 1 2 ASP CA C 15.259 0.178 3.039 1.00 . A A . 46 ASP CA 1 1 20 10903 1 1 2 ASP CB C 15.493 -0.990 3.998 1.00 . A A . 46 ASP CB 1 1 20 10904 1 1 2 ASP CG C 15.697 -2.277 3.197 1.00 . A A . 46 ASP CG 1 1 20 10905 1 1 2 ASP H H 16.992 1.353 2.523 1.00 . A A . 46 ASP H 1 1 20 10906 1 1 2 ASP HA H 15.258 -0.176 2.021 1.00 . A A . 46 ASP HA 1 1 20 10907 1 1 2 ASP HB2 H 16.372 -0.793 4.596 1.00 . A A . 46 ASP HB2 1 1 20 10908 1 1 2 ASP HB3 H 14.635 -1.103 4.644 1.00 . A A . 46 ASP HB3 1 1 20 10909 1 1 2 ASP N N 16.406 1.102 3.269 1.00 . A A . 46 ASP N 1 1 20 10910 1 1 2 ASP O O 13.425 0.786 4.460 1.00 . A A . 46 ASP O 1 1 20 10911 1 1 2 ASP OD1 O 16.579 -2.293 2.354 1.00 . A A . 46 ASP OD1 1 1 20 10912 1 1 2 ASP OD2 O 14.969 -3.224 3.440 1.00 . A A . 46 ASP OD2 1 1 20 10913 1 1 3 GLY C C 11.778 3.217 1.490 1.00 . A A . 47 GLY C 1 1 20 10914 1 1 3 GLY CA C 12.100 2.301 2.671 1.00 . A A . 47 GLY CA 1 1 20 10915 1 1 3 GLY H H 13.815 1.657 1.539 1.00 . A A . 47 GLY H 1 1 20 10916 1 1 3 GLY HA2 H 11.307 1.576 2.794 1.00 . A A . 47 GLY HA2 1 1 20 10917 1 1 3 GLY HA3 H 12.187 2.894 3.569 1.00 . A A . 47 GLY HA3 1 1 20 10918 1 1 3 GLY N N 13.385 1.592 2.417 1.00 . A A . 47 GLY N 1 1 20 10919 1 1 3 GLY O O 11.610 4.410 1.646 1.00 . A A . 47 GLY O 1 1 20 10920 1 1 4 ASP C C 9.979 3.182 -1.409 1.00 . A A . 48 ASP C 1 1 20 10921 1 1 4 ASP CA C 11.378 3.510 -0.882 1.00 . A A . 48 ASP CA 1 1 20 10922 1 1 4 ASP CB C 12.441 3.141 -1.917 1.00 . A A . 48 ASP CB 1 1 20 10923 1 1 4 ASP CG C 13.828 3.223 -1.277 1.00 . A A . 48 ASP CG 1 1 20 10924 1 1 4 ASP H H 11.830 1.704 0.206 1.00 . A A . 48 ASP H 1 1 20 10925 1 1 4 ASP HA H 11.453 4.557 -0.635 1.00 . A A . 48 ASP HA 1 1 20 10926 1 1 4 ASP HB2 H 12.264 2.135 -2.269 1.00 . A A . 48 ASP HB2 1 1 20 10927 1 1 4 ASP HB3 H 12.388 3.828 -2.748 1.00 . A A . 48 ASP HB3 1 1 20 10928 1 1 4 ASP N N 11.690 2.669 0.309 1.00 . A A . 48 ASP N 1 1 20 10929 1 1 4 ASP O O 9.184 4.060 -1.678 1.00 . A A . 48 ASP O 1 1 20 10930 1 1 4 ASP OD1 O 14.112 2.406 -0.419 1.00 . A A . 48 ASP OD1 1 1 20 10931 1 1 4 ASP OD2 O 14.582 4.103 -1.658 1.00 . A A . 48 ASP OD2 1 1 20 10932 1 1 5 GLN C C 7.233 2.206 -1.228 1.00 . A A . 49 GLN C 1 1 20 10933 1 1 5 GLN CA C 8.326 1.537 -2.066 1.00 . A A . 49 GLN CA 1 1 20 10934 1 1 5 GLN CB C 8.266 0.022 -1.914 1.00 . A A . 49 GLN CB 1 1 20 10935 1 1 5 GLN CD C 10.438 -1.208 -2.040 1.00 . A A . 49 GLN CD 1 1 20 10936 1 1 5 GLN CG C 9.283 -0.626 -2.856 1.00 . A A . 49 GLN CG 1 1 20 10937 1 1 5 GLN H H 10.329 1.228 -1.334 1.00 . A A . 49 GLN H 1 1 20 10938 1 1 5 GLN HA H 8.223 1.802 -3.100 1.00 . A A . 49 GLN HA 1 1 20 10939 1 1 5 GLN HB2 H 8.500 -0.240 -0.897 1.00 . A A . 49 GLN HB2 1 1 20 10940 1 1 5 GLN HB3 H 7.274 -0.327 -2.162 1.00 . A A . 49 GLN HB3 1 1 20 10941 1 1 5 GLN HE21 H 9.251 -1.941 -0.624 1.00 . A A . 49 GLN HE21 1 1 20 10942 1 1 5 GLN HE22 H 10.920 -2.219 -0.398 1.00 . A A . 49 GLN HE22 1 1 20 10943 1 1 5 GLN HG2 H 8.802 -1.416 -3.415 1.00 . A A . 49 GLN HG2 1 1 20 10944 1 1 5 GLN HG3 H 9.665 0.118 -3.538 1.00 . A A . 49 GLN HG3 1 1 20 10945 1 1 5 GLN N N 9.673 1.922 -1.558 1.00 . A A . 49 GLN N 1 1 20 10946 1 1 5 GLN NE2 N 10.182 -1.842 -0.928 1.00 . A A . 49 GLN NE2 1 1 20 10947 1 1 5 GLN O O 6.363 2.878 -1.746 1.00 . A A . 49 GLN O 1 1 20 10948 1 1 5 GLN OE1 O 11.587 -1.085 -2.418 1.00 . A A . 49 GLN OE1 1 1 20 10949 1 1 6 CYS C C 6.589 4.138 1.167 1.00 . A A . 50 CYS C 1 1 20 10950 1 1 6 CYS CA C 6.245 2.662 0.939 1.00 . A A . 50 CYS CA 1 1 20 10951 1 1 6 CYS CB C 6.307 1.871 2.249 1.00 . A A . 50 CYS CB 1 1 20 10952 1 1 6 CYS H H 7.989 1.490 0.461 1.00 . A A . 50 CYS H 1 1 20 10953 1 1 6 CYS HA H 5.267 2.567 0.495 1.00 . A A . 50 CYS HA 1 1 20 10954 1 1 6 CYS HB2 H 5.806 0.923 2.118 1.00 . A A . 50 CYS HB2 1 1 20 10955 1 1 6 CYS HB3 H 7.340 1.696 2.511 1.00 . A A . 50 CYS HB3 1 1 20 10956 1 1 6 CYS N N 7.276 2.032 0.064 1.00 . A A . 50 CYS N 1 1 20 10957 1 1 6 CYS O O 5.824 4.882 1.748 1.00 . A A . 50 CYS O 1 1 20 10958 1 1 6 CYS SG S 5.496 2.800 3.577 1.00 . A A . 50 CYS SG 1 1 20 10959 1 1 7 ALA C C 7.275 6.889 -0.008 1.00 . A A . 51 ALA C 1 1 20 10960 1 1 7 ALA CA C 8.125 5.992 0.895 1.00 . A A . 51 ALA CA 1 1 20 10961 1 1 7 ALA CB C 9.596 6.056 0.484 1.00 . A A . 51 ALA CB 1 1 20 10962 1 1 7 ALA H H 8.336 3.951 0.242 1.00 . A A . 51 ALA H 1 1 20 10963 1 1 7 ALA HA H 8.018 6.283 1.929 1.00 . A A . 51 ALA HA 1 1 20 10964 1 1 7 ALA HB1 H 10.001 5.055 0.438 1.00 . A A . 51 ALA HB1 1 1 20 10965 1 1 7 ALA HB2 H 9.679 6.522 -0.487 1.00 . A A . 51 ALA HB2 1 1 20 10966 1 1 7 ALA HB3 H 10.149 6.634 1.209 1.00 . A A . 51 ALA HB3 1 1 20 10967 1 1 7 ALA N N 7.734 4.566 0.710 1.00 . A A . 51 ALA N 1 1 20 10968 1 1 7 ALA O O 6.842 7.954 0.387 1.00 . A A . 51 ALA O 1 1 20 10969 1 1 8 SER C C 4.726 7.188 -1.769 1.00 . A A . 52 SER C 1 1 20 10970 1 1 8 SER CA C 6.206 7.291 -2.146 1.00 . A A . 52 SER CA 1 1 20 10971 1 1 8 SER CB C 6.449 6.692 -3.531 1.00 . A A . 52 SER CB 1 1 20 10972 1 1 8 SER H H 7.388 5.602 -1.516 1.00 . A A . 52 SER H 1 1 20 10973 1 1 8 SER HA H 6.531 8.319 -2.127 1.00 . A A . 52 SER HA 1 1 20 10974 1 1 8 SER HB2 H 6.233 5.638 -3.513 1.00 . A A . 52 SER HB2 1 1 20 10975 1 1 8 SER HB3 H 5.803 7.177 -4.251 1.00 . A A . 52 SER HB3 1 1 20 10976 1 1 8 SER HG H 8.053 7.786 -3.671 1.00 . A A . 52 SER HG 1 1 20 10977 1 1 8 SER N N 7.031 6.465 -1.218 1.00 . A A . 52 SER N 1 1 20 10978 1 1 8 SER O O 3.880 7.838 -2.350 1.00 . A A . 52 SER O 1 1 20 10979 1 1 8 SER OG O 7.811 6.883 -3.892 1.00 . A A . 52 SER OG 1 1 20 10980 1 1 9 SER C C 2.172 5.531 -1.470 1.00 . A A . 53 SER C 1 1 20 10981 1 1 9 SER CA C 2.983 6.230 -0.376 1.00 . A A . 53 SER CA 1 1 20 10982 1 1 9 SER CB C 2.480 7.658 -0.165 1.00 . A A . 53 SER CB 1 1 20 10983 1 1 9 SER H H 5.107 5.862 -0.340 1.00 . A A . 53 SER H 1 1 20 10984 1 1 9 SER HA H 2.920 5.678 0.549 1.00 . A A . 53 SER HA 1 1 20 10985 1 1 9 SER HB2 H 3.264 8.259 0.262 1.00 . A A . 53 SER HB2 1 1 20 10986 1 1 9 SER HB3 H 2.184 8.078 -1.116 1.00 . A A . 53 SER HB3 1 1 20 10987 1 1 9 SER HG H 0.646 8.109 0.305 1.00 . A A . 53 SER HG 1 1 20 10988 1 1 9 SER N N 4.408 6.376 -0.796 1.00 . A A . 53 SER N 1 1 20 10989 1 1 9 SER O O 1.298 6.124 -2.069 1.00 . A A . 53 SER O 1 1 20 10990 1 1 9 SER OG O 1.370 7.637 0.724 1.00 . A A . 53 SER OG 1 1 20 10991 1 1 10 PRO C C 0.304 3.322 -2.326 1.00 . A A . 54 PRO C 1 1 20 10992 1 1 10 PRO CA C 1.775 3.486 -2.717 1.00 . A A . 54 PRO CA 1 1 20 10993 1 1 10 PRO CB C 2.494 2.136 -2.707 1.00 . A A . 54 PRO CB 1 1 20 10994 1 1 10 PRO CD C 3.522 3.507 -1.001 1.00 . A A . 54 PRO CD 1 1 20 10995 1 1 10 PRO CG C 3.243 2.086 -1.412 1.00 . A A . 54 PRO CG 1 1 20 10996 1 1 10 PRO HA H 1.865 3.948 -3.687 1.00 . A A . 54 PRO HA 1 1 20 10997 1 1 10 PRO HB2 H 1.773 1.330 -2.757 1.00 . A A . 54 PRO HB2 1 1 20 10998 1 1 10 PRO HB3 H 3.184 2.074 -3.535 1.00 . A A . 54 PRO HB3 1 1 20 10999 1 1 10 PRO HD2 H 3.431 3.614 0.072 1.00 . A A . 54 PRO HD2 1 1 20 11000 1 1 10 PRO HD3 H 4.501 3.814 -1.333 1.00 . A A . 54 PRO HD3 1 1 20 11001 1 1 10 PRO HG2 H 2.641 1.594 -0.659 1.00 . A A . 54 PRO HG2 1 1 20 11002 1 1 10 PRO HG3 H 4.173 1.558 -1.545 1.00 . A A . 54 PRO HG3 1 1 20 11003 1 1 10 PRO N N 2.489 4.282 -1.688 1.00 . A A . 54 PRO N 1 1 20 11004 1 1 10 PRO O O -0.585 3.807 -2.997 1.00 . A A . 54 PRO O 1 1 20 11005 1 1 11 CYS C C -2.148 3.768 -0.962 1.00 . A A . 55 CYS C 1 1 20 11006 1 1 11 CYS CA C -1.367 2.459 -0.793 1.00 . A A . 55 CYS CA 1 1 20 11007 1 1 11 CYS CB C -1.256 2.081 0.684 1.00 . A A . 55 CYS CB 1 1 20 11008 1 1 11 CYS H H 0.778 2.272 -0.710 1.00 . A A . 55 CYS H 1 1 20 11009 1 1 11 CYS HA H -1.837 1.662 -1.347 1.00 . A A . 55 CYS HA 1 1 20 11010 1 1 11 CYS HB2 H -0.307 1.596 0.859 1.00 . A A . 55 CYS HB2 1 1 20 11011 1 1 11 CYS HB3 H -1.319 2.977 1.287 1.00 . A A . 55 CYS HB3 1 1 20 11012 1 1 11 CYS N N 0.043 2.649 -1.238 1.00 . A A . 55 CYS N 1 1 20 11013 1 1 11 CYS O O -1.577 4.840 -1.001 1.00 . A A . 55 CYS O 1 1 20 11014 1 1 11 CYS SG S -2.600 0.960 1.147 1.00 . A A . 55 CYS SG 1 1 20 11015 1 1 12 GLN C C -5.522 4.857 -0.374 1.00 . A A . 56 GLN C 1 1 20 11016 1 1 12 GLN CA C -4.258 4.926 -1.235 1.00 . A A . 56 GLN CA 1 1 20 11017 1 1 12 GLN CB C -4.627 4.955 -2.718 1.00 . A A . 56 GLN CB 1 1 20 11018 1 1 12 GLN CD C -3.664 4.705 -5.009 1.00 . A A . 56 GLN CD 1 1 20 11019 1 1 12 GLN CG C -3.356 5.074 -3.556 1.00 . A A . 56 GLN CG 1 1 20 11020 1 1 12 GLN H H -3.884 2.823 -1.032 1.00 . A A . 56 GLN H 1 1 20 11021 1 1 12 GLN HA H -3.676 5.795 -0.984 1.00 . A A . 56 GLN HA 1 1 20 11022 1 1 12 GLN HB2 H -5.147 4.044 -2.976 1.00 . A A . 56 GLN HB2 1 1 20 11023 1 1 12 GLN HB3 H -5.268 5.802 -2.914 1.00 . A A . 56 GLN HB3 1 1 20 11024 1 1 12 GLN HE21 H -4.708 3.085 -4.523 1.00 . A A . 56 GLN HE21 1 1 20 11025 1 1 12 GLN HE22 H -4.578 3.396 -6.195 1.00 . A A . 56 GLN HE22 1 1 20 11026 1 1 12 GLN HG2 H -2.990 6.090 -3.511 1.00 . A A . 56 GLN HG2 1 1 20 11027 1 1 12 GLN HG3 H -2.606 4.402 -3.168 1.00 . A A . 56 GLN HG3 1 1 20 11028 1 1 12 GLN N N -3.445 3.690 -1.064 1.00 . A A . 56 GLN N 1 1 20 11029 1 1 12 GLN NE2 N -4.376 3.641 -5.263 1.00 . A A . 56 GLN NE2 1 1 20 11030 1 1 12 GLN O O -5.720 3.930 0.385 1.00 . A A . 56 GLN O 1 1 20 11031 1 1 12 GLN OE1 O -3.254 5.392 -5.923 1.00 . A A . 56 GLN OE1 1 1 20 11032 1 1 13 ASN C C -7.305 5.713 1.803 1.00 . A A . 57 ASN C 1 1 20 11033 1 1 13 ASN CA C -7.633 5.828 0.313 1.00 . A A . 57 ASN CA 1 1 20 11034 1 1 13 ASN CB C -8.408 4.599 -0.166 1.00 . A A . 57 ASN CB 1 1 20 11035 1 1 13 ASN CG C -8.773 4.771 -1.641 1.00 . A A . 57 ASN CG 1 1 20 11036 1 1 13 ASN H H -6.198 6.568 -1.116 1.00 . A A . 57 ASN H 1 1 20 11037 1 1 13 ASN HA H -8.206 6.722 0.121 1.00 . A A . 57 ASN HA 1 1 20 11038 1 1 13 ASN HB2 H -7.794 3.718 -0.045 1.00 . A A . 57 ASN HB2 1 1 20 11039 1 1 13 ASN HB3 H -9.310 4.493 0.418 1.00 . A A . 57 ASN HB3 1 1 20 11040 1 1 13 ASN HD21 H -7.713 3.197 -2.230 1.00 . A A . 57 ASN HD21 1 1 20 11041 1 1 13 ASN HD22 H -8.528 4.037 -3.471 1.00 . A A . 57 ASN HD22 1 1 20 11042 1 1 13 ASN N N -6.379 5.833 -0.493 1.00 . A A . 57 ASN N 1 1 20 11043 1 1 13 ASN ND2 N -8.300 3.932 -2.520 1.00 . A A . 57 ASN ND2 1 1 20 11044 1 1 13 ASN O O -7.966 5.012 2.543 1.00 . A A . 57 ASN O 1 1 20 11045 1 1 13 ASN OD1 O -9.499 5.678 -1.997 1.00 . A A . 57 ASN OD1 1 1 20 11046 1 1 14 GLY C C -5.261 4.996 4.000 1.00 . A A . 58 GLY C 1 1 20 11047 1 1 14 GLY CA C -5.922 6.340 3.690 1.00 . A A . 58 GLY CA 1 1 20 11048 1 1 14 GLY H H -5.775 6.964 1.634 1.00 . A A . 58 GLY H 1 1 20 11049 1 1 14 GLY HA2 H -5.234 7.142 3.919 1.00 . A A . 58 GLY HA2 1 1 20 11050 1 1 14 GLY HA3 H -6.811 6.446 4.294 1.00 . A A . 58 GLY HA3 1 1 20 11051 1 1 14 GLY N N -6.292 6.403 2.248 1.00 . A A . 58 GLY N 1 1 20 11052 1 1 14 GLY O O -5.221 4.562 5.135 1.00 . A A . 58 GLY O 1 1 20 11053 1 1 15 GLY C C -2.583 3.238 3.488 1.00 . A A . 59 GLY C 1 1 20 11054 1 1 15 GLY CA C -4.079 3.019 3.258 1.00 . A A . 59 GLY CA 1 1 20 11055 1 1 15 GLY H H -4.776 4.694 2.095 1.00 . A A . 59 GLY H 1 1 20 11056 1 1 15 GLY HA2 H -4.518 2.559 4.134 1.00 . A A . 59 GLY HA2 1 1 20 11057 1 1 15 GLY HA3 H -4.219 2.373 2.401 1.00 . A A . 59 GLY HA3 1 1 20 11058 1 1 15 GLY N N -4.738 4.330 3.005 1.00 . A A . 59 GLY N 1 1 20 11059 1 1 15 GLY O O -1.981 4.123 2.913 1.00 . A A . 59 GLY O 1 1 20 11060 1 1 16 SER C C 0.292 1.741 3.622 1.00 . A A . 60 SER C 1 1 20 11061 1 1 16 SER CA C -0.517 2.608 4.589 1.00 . A A . 60 SER CA 1 1 20 11062 1 1 16 SER CB C -0.317 2.135 6.028 1.00 . A A . 60 SER CB 1 1 20 11063 1 1 16 SER H H -2.478 1.734 4.780 1.00 . A A . 60 SER H 1 1 20 11064 1 1 16 SER HA H -0.232 3.644 4.497 1.00 . A A . 60 SER HA 1 1 20 11065 1 1 16 SER HB2 H -0.544 1.084 6.099 1.00 . A A . 60 SER HB2 1 1 20 11066 1 1 16 SER HB3 H 0.711 2.299 6.321 1.00 . A A . 60 SER HB3 1 1 20 11067 1 1 16 SER HG H -2.071 2.828 6.511 1.00 . A A . 60 SER HG 1 1 20 11068 1 1 16 SER N N -1.976 2.441 4.326 1.00 . A A . 60 SER N 1 1 20 11069 1 1 16 SER O O -0.258 0.988 2.846 1.00 . A A . 60 SER O 1 1 20 11070 1 1 16 SER OG O -1.188 2.860 6.887 1.00 . A A . 60 SER OG 1 1 20 11071 1 1 17 CYS C C 3.428 0.168 3.530 1.00 . A A . 61 CYS C 1 1 20 11072 1 1 17 CYS CA C 2.422 1.006 2.738 1.00 . A A . 61 CYS CA 1 1 20 11073 1 1 17 CYS CB C 3.150 1.999 1.822 1.00 . A A . 61 CYS CB 1 1 20 11074 1 1 17 CYS H H 2.021 2.445 4.297 1.00 . A A . 61 CYS H 1 1 20 11075 1 1 17 CYS HA H 1.789 0.364 2.146 1.00 . A A . 61 CYS HA 1 1 20 11076 1 1 17 CYS HB2 H 3.990 1.506 1.357 1.00 . A A . 61 CYS HB2 1 1 20 11077 1 1 17 CYS HB3 H 2.469 2.343 1.057 1.00 . A A . 61 CYS HB3 1 1 20 11078 1 1 17 CYS N N 1.591 1.836 3.661 1.00 . A A . 61 CYS N 1 1 20 11079 1 1 17 CYS O O 4.055 0.642 4.456 1.00 . A A . 61 CYS O 1 1 20 11080 1 1 17 CYS SG S 3.748 3.419 2.778 1.00 . A A . 61 CYS SG 1 1 20 11081 1 1 18 LYS C C 5.790 -2.196 3.036 1.00 . A A . 62 LYS C 1 1 20 11082 1 1 18 LYS CA C 4.549 -1.949 3.898 1.00 . A A . 62 LYS CA 1 1 20 11083 1 1 18 LYS CB C 3.797 -3.257 4.143 1.00 . A A . 62 LYS CB 1 1 20 11084 1 1 18 LYS CD C 3.557 -4.419 6.342 1.00 . A A . 62 LYS CD 1 1 20 11085 1 1 18 LYS CE C 4.349 -4.836 7.583 1.00 . A A . 62 LYS CE 1 1 20 11086 1 1 18 LYS CG C 4.528 -4.075 5.210 1.00 . A A . 62 LYS CG 1 1 20 11087 1 1 18 LYS H H 3.068 -1.438 2.418 1.00 . A A . 62 LYS H 1 1 20 11088 1 1 18 LYS HA H 4.827 -1.501 4.839 1.00 . A A . 62 LYS HA 1 1 20 11089 1 1 18 LYS HB2 H 2.794 -3.037 4.480 1.00 . A A . 62 LYS HB2 1 1 20 11090 1 1 18 LYS HB3 H 3.753 -3.824 3.225 1.00 . A A . 62 LYS HB3 1 1 20 11091 1 1 18 LYS HD2 H 2.953 -3.554 6.573 1.00 . A A . 62 LYS HD2 1 1 20 11092 1 1 18 LYS HD3 H 2.919 -5.233 6.034 1.00 . A A . 62 LYS HD3 1 1 20 11093 1 1 18 LYS HE2 H 4.835 -5.788 7.415 1.00 . A A . 62 LYS HE2 1 1 20 11094 1 1 18 LYS HE3 H 5.075 -4.081 7.839 1.00 . A A . 62 LYS HE3 1 1 20 11095 1 1 18 LYS HG2 H 4.906 -4.985 4.768 1.00 . A A . 62 LYS HG2 1 1 20 11096 1 1 18 LYS HG3 H 5.350 -3.498 5.606 1.00 . A A . 62 LYS HG3 1 1 20 11097 1 1 18 LYS HZ1 H 2.554 -4.290 8.483 1.00 . A A . 62 LYS HZ1 1 1 20 11098 1 1 18 LYS HZ2 H 2.959 -5.924 8.688 1.00 . A A . 62 LYS HZ2 1 1 20 11099 1 1 18 LYS HZ3 H 3.773 -4.730 9.581 1.00 . A A . 62 LYS HZ3 1 1 20 11100 1 1 18 LYS N N 3.585 -1.077 3.169 1.00 . A A . 62 LYS N 1 1 20 11101 1 1 18 LYS NZ N 3.332 -4.955 8.665 1.00 . A A . 62 LYS NZ 1 1 20 11102 1 1 18 LYS O O 5.716 -2.238 1.824 1.00 . A A . 62 LYS O 1 1 20 11103 1 1 19 ASP C C 8.711 -4.008 3.137 1.00 . A A . 63 ASP C 1 1 20 11104 1 1 19 ASP CA C 8.172 -2.601 2.862 1.00 . A A . 63 ASP CA 1 1 20 11105 1 1 19 ASP CB C 9.162 -1.543 3.348 1.00 . A A . 63 ASP CB 1 1 20 11106 1 1 19 ASP CG C 9.653 -0.718 2.158 1.00 . A A . 63 ASP CG 1 1 20 11107 1 1 19 ASP H H 6.969 -2.322 4.629 1.00 . A A . 63 ASP H 1 1 20 11108 1 1 19 ASP HA H 7.981 -2.470 1.809 1.00 . A A . 63 ASP HA 1 1 20 11109 1 1 19 ASP HB2 H 8.673 -0.894 4.060 1.00 . A A . 63 ASP HB2 1 1 20 11110 1 1 19 ASP HB3 H 10.004 -2.027 3.820 1.00 . A A . 63 ASP HB3 1 1 20 11111 1 1 19 ASP N N 6.929 -2.360 3.650 1.00 . A A . 63 ASP N 1 1 20 11112 1 1 19 ASP O O 8.914 -4.395 4.271 1.00 . A A . 63 ASP O 1 1 20 11113 1 1 19 ASP OD1 O 10.537 -1.189 1.460 1.00 . A A . 63 ASP OD1 1 1 20 11114 1 1 19 ASP OD2 O 9.140 0.372 1.964 1.00 . A A . 63 ASP OD2 1 1 20 11115 1 1 20 GLN C C 10.478 -6.501 1.201 1.00 . A A . 64 GLN C 1 1 20 11116 1 1 20 GLN CA C 9.479 -6.156 2.311 1.00 . A A . 64 GLN CA 1 1 20 11117 1 1 20 GLN CB C 8.272 -7.119 2.268 1.00 . A A . 64 GLN CB 1 1 20 11118 1 1 20 GLN CD C 5.780 -7.263 2.455 1.00 . A A . 64 GLN CD 1 1 20 11119 1 1 20 GLN CG C 6.952 -6.361 2.059 1.00 . A A . 64 GLN CG 1 1 20 11120 1 1 20 GLN H H 8.781 -4.442 1.202 1.00 . A A . 64 GLN H 1 1 20 11121 1 1 20 GLN HA H 9.962 -6.224 3.273 1.00 . A A . 64 GLN HA 1 1 20 11122 1 1 20 GLN HB2 H 8.408 -7.818 1.455 1.00 . A A . 64 GLN HB2 1 1 20 11123 1 1 20 GLN HB3 H 8.224 -7.665 3.199 1.00 . A A . 64 GLN HB3 1 1 20 11124 1 1 20 GLN HE21 H 5.604 -8.063 0.644 1.00 . A A . 64 GLN HE21 1 1 20 11125 1 1 20 GLN HE22 H 4.496 -8.635 1.808 1.00 . A A . 64 GLN HE22 1 1 20 11126 1 1 20 GLN HG2 H 6.946 -5.473 2.673 1.00 . A A . 64 GLN HG2 1 1 20 11127 1 1 20 GLN HG3 H 6.853 -6.083 1.022 1.00 . A A . 64 GLN HG3 1 1 20 11128 1 1 20 GLN N N 8.947 -4.774 2.108 1.00 . A A . 64 GLN N 1 1 20 11129 1 1 20 GLN NE2 N 5.249 -8.052 1.561 1.00 . A A . 64 GLN NE2 1 1 20 11130 1 1 20 GLN O O 10.525 -5.859 0.171 1.00 . A A . 64 GLN O 1 1 20 11131 1 1 20 GLN OE1 O 5.344 -7.247 3.588 1.00 . A A . 64 GLN OE1 1 1 20 11132 1 1 21 LEU C C 11.637 -8.080 -0.983 1.00 . A A . 65 LEU C 1 1 20 11133 1 1 21 LEU CA C 12.291 -7.896 0.386 1.00 . A A . 65 LEU CA 1 1 20 11134 1 1 21 LEU CB C 12.862 -9.224 0.883 1.00 . A A . 65 LEU CB 1 1 20 11135 1 1 21 LEU CD1 C 14.155 -8.717 2.960 1.00 . A A . 65 LEU CD1 1 1 20 11136 1 1 21 LEU CD2 C 15.114 -10.245 1.233 1.00 . A A . 65 LEU CD2 1 1 20 11137 1 1 21 LEU CG C 14.261 -8.996 1.459 1.00 . A A . 65 LEU CG 1 1 20 11138 1 1 21 LEU H H 11.229 -8.003 2.256 1.00 . A A . 65 LEU H 1 1 20 11139 1 1 21 LEU HA H 13.072 -7.166 0.327 1.00 . A A . 65 LEU HA 1 1 20 11140 1 1 21 LEU HB2 H 12.217 -9.629 1.650 1.00 . A A . 65 LEU HB2 1 1 20 11141 1 1 21 LEU HB3 H 12.924 -9.921 0.060 1.00 . A A . 65 LEU HB3 1 1 20 11142 1 1 21 LEU HD11 H 13.124 -8.524 3.219 1.00 . A A . 65 LEU HD11 1 1 20 11143 1 1 21 LEU HD12 H 14.510 -9.575 3.511 1.00 . A A . 65 LEU HD12 1 1 20 11144 1 1 21 LEU HD13 H 14.757 -7.856 3.209 1.00 . A A . 65 LEU HD13 1 1 20 11145 1 1 21 LEU HD21 H 14.471 -11.108 1.137 1.00 . A A . 65 LEU HD21 1 1 20 11146 1 1 21 LEU HD22 H 15.694 -10.126 0.329 1.00 . A A . 65 LEU HD22 1 1 20 11147 1 1 21 LEU HD23 H 15.780 -10.383 2.072 1.00 . A A . 65 LEU HD23 1 1 20 11148 1 1 21 LEU HG H 14.718 -8.149 0.967 1.00 . A A . 65 LEU HG 1 1 20 11149 1 1 21 LEU N N 11.282 -7.506 1.414 1.00 . A A . 65 LEU N 1 1 20 11150 1 1 21 LEU O O 11.645 -7.194 -1.814 1.00 . A A . 65 LEU O 1 1 20 11151 1 1 22 GLN C C 9.737 -8.289 -3.086 1.00 . A A . 66 GLN C 1 1 20 11152 1 1 22 GLN CA C 10.437 -9.531 -2.528 1.00 . A A . 66 GLN CA 1 1 20 11153 1 1 22 GLN CB C 9.416 -10.625 -2.218 1.00 . A A . 66 GLN CB 1 1 20 11154 1 1 22 GLN CD C 7.183 -9.503 -2.152 1.00 . A A . 66 GLN CD 1 1 20 11155 1 1 22 GLN CG C 8.326 -10.063 -1.303 1.00 . A A . 66 GLN CG 1 1 20 11156 1 1 22 GLN H H 11.122 -9.922 -0.522 1.00 . A A . 66 GLN H 1 1 20 11157 1 1 22 GLN HA H 11.164 -9.900 -3.233 1.00 . A A . 66 GLN HA 1 1 20 11158 1 1 22 GLN HB2 H 8.969 -10.970 -3.141 1.00 . A A . 66 GLN HB2 1 1 20 11159 1 1 22 GLN HB3 H 9.908 -11.450 -1.725 1.00 . A A . 66 GLN HB3 1 1 20 11160 1 1 22 GLN HE21 H 7.030 -11.132 -3.276 1.00 . A A . 66 GLN HE21 1 1 20 11161 1 1 22 GLN HE22 H 5.946 -9.883 -3.658 1.00 . A A . 66 GLN HE22 1 1 20 11162 1 1 22 GLN HG2 H 7.950 -10.852 -0.666 1.00 . A A . 66 GLN HG2 1 1 20 11163 1 1 22 GLN HG3 H 8.740 -9.274 -0.694 1.00 . A A . 66 GLN HG3 1 1 20 11164 1 1 22 GLN N N 11.091 -9.237 -1.215 1.00 . A A . 66 GLN N 1 1 20 11165 1 1 22 GLN NE2 N 6.677 -10.233 -3.108 1.00 . A A . 66 GLN NE2 1 1 20 11166 1 1 22 GLN O O 9.629 -8.114 -4.284 1.00 . A A . 66 GLN O 1 1 20 11167 1 1 22 GLN OE1 O 6.747 -8.388 -1.945 1.00 . A A . 66 GLN OE1 1 1 20 11168 1 1 23 SER C C 7.879 -5.487 -1.559 1.00 . A A . 67 SER C 1 1 20 11169 1 1 23 SER CA C 8.567 -6.197 -2.724 1.00 . A A . 67 SER CA 1 1 20 11170 1 1 23 SER CB C 7.531 -6.696 -3.732 1.00 . A A . 67 SER CB 1 1 20 11171 1 1 23 SER H H 9.357 -7.581 -1.269 1.00 . A A . 67 SER H 1 1 20 11172 1 1 23 SER HA H 9.268 -5.537 -3.210 1.00 . A A . 67 SER HA 1 1 20 11173 1 1 23 SER HB2 H 7.569 -7.770 -3.792 1.00 . A A . 67 SER HB2 1 1 20 11174 1 1 23 SER HB3 H 6.543 -6.391 -3.413 1.00 . A A . 67 SER HB3 1 1 20 11175 1 1 23 SER HG H 7.020 -5.733 -5.344 1.00 . A A . 67 SER HG 1 1 20 11176 1 1 23 SER N N 9.260 -7.425 -2.233 1.00 . A A . 67 SER N 1 1 20 11177 1 1 23 SER O O 8.276 -5.623 -0.422 1.00 . A A . 67 SER O 1 1 20 11178 1 1 23 SER OG O 7.820 -6.147 -5.012 1.00 . A A . 67 SER OG 1 1 20 11179 1 1 24 TYR C C 4.638 -4.329 -0.796 1.00 . A A . 68 TYR C 1 1 20 11180 1 1 24 TYR CA C 6.136 -4.018 -0.736 1.00 . A A . 68 TYR CA 1 1 20 11181 1 1 24 TYR CB C 6.388 -2.535 -1.002 1.00 . A A . 68 TYR CB 1 1 20 11182 1 1 24 TYR CD1 C 6.635 -2.413 -3.507 1.00 . A A . 68 TYR CD1 1 1 20 11183 1 1 24 TYR CD2 C 4.589 -1.593 -2.497 1.00 . A A . 68 TYR CD2 1 1 20 11184 1 1 24 TYR CE1 C 6.144 -2.076 -4.775 1.00 . A A . 68 TYR CE1 1 1 20 11185 1 1 24 TYR CE2 C 4.099 -1.255 -3.764 1.00 . A A . 68 TYR CE2 1 1 20 11186 1 1 24 TYR CG C 5.858 -2.172 -2.369 1.00 . A A . 68 TYR CG 1 1 20 11187 1 1 24 TYR CZ C 4.875 -1.497 -4.903 1.00 . A A . 68 TYR CZ 1 1 20 11188 1 1 24 TYR H H 6.544 -4.639 -2.760 1.00 . A A . 68 TYR H 1 1 20 11189 1 1 24 TYR HA H 6.542 -4.296 0.223 1.00 . A A . 68 TYR HA 1 1 20 11190 1 1 24 TYR HB2 H 5.882 -1.943 -0.251 1.00 . A A . 68 TYR HB2 1 1 20 11191 1 1 24 TYR HB3 H 7.449 -2.337 -0.964 1.00 . A A . 68 TYR HB3 1 1 20 11192 1 1 24 TYR HD1 H 7.613 -2.860 -3.409 1.00 . A A . 68 TYR HD1 1 1 20 11193 1 1 24 TYR HD2 H 3.990 -1.406 -1.618 1.00 . A A . 68 TYR HD2 1 1 20 11194 1 1 24 TYR HE1 H 6.744 -2.261 -5.653 1.00 . A A . 68 TYR HE1 1 1 20 11195 1 1 24 TYR HE2 H 3.120 -0.809 -3.863 1.00 . A A . 68 TYR HE2 1 1 20 11196 1 1 24 TYR HH H 3.434 -1.223 -6.124 1.00 . A A . 68 TYR HH 1 1 20 11197 1 1 24 TYR N N 6.850 -4.734 -1.833 1.00 . A A . 68 TYR N 1 1 20 11198 1 1 24 TYR O O 4.099 -4.633 -1.841 1.00 . A A . 68 TYR O 1 1 20 11199 1 1 24 TYR OH O 4.392 -1.164 -6.151 1.00 . A A . 68 TYR OH 1 1 20 11200 1 1 25 ILE C C 1.734 -3.475 1.090 1.00 . A A . 69 ILE C 1 1 20 11201 1 1 25 ILE CA C 2.499 -4.552 0.315 1.00 . A A . 69 ILE CA 1 1 20 11202 1 1 25 ILE CB C 2.372 -5.918 0.994 1.00 . A A . 69 ILE CB 1 1 20 11203 1 1 25 ILE CD1 C 2.194 -8.363 0.509 1.00 . A A . 69 ILE CD1 1 1 20 11204 1 1 25 ILE CG1 C 2.626 -7.008 -0.048 1.00 . A A . 69 ILE CG1 1 1 20 11205 1 1 25 ILE CG2 C 0.962 -6.087 1.573 1.00 . A A . 69 ILE CG2 1 1 20 11206 1 1 25 ILE H H 4.411 -4.011 1.152 1.00 . A A . 69 ILE H 1 1 20 11207 1 1 25 ILE HA H 2.133 -4.614 -0.697 1.00 . A A . 69 ILE HA 1 1 20 11208 1 1 25 ILE HB H 3.101 -5.996 1.787 1.00 . A A . 69 ILE HB 1 1 20 11209 1 1 25 ILE HD11 H 2.434 -8.413 1.561 1.00 . A A . 69 ILE HD11 1 1 20 11210 1 1 25 ILE HD12 H 1.129 -8.481 0.377 1.00 . A A . 69 ILE HD12 1 1 20 11211 1 1 25 ILE HD13 H 2.712 -9.151 -0.017 1.00 . A A . 69 ILE HD13 1 1 20 11212 1 1 25 ILE HG12 H 2.060 -6.785 -0.942 1.00 . A A . 69 ILE HG12 1 1 20 11213 1 1 25 ILE HG13 H 3.679 -7.037 -0.287 1.00 . A A . 69 ILE HG13 1 1 20 11214 1 1 25 ILE HG21 H 0.768 -5.299 2.286 1.00 . A A . 69 ILE HG21 1 1 20 11215 1 1 25 ILE HG22 H 0.236 -6.038 0.776 1.00 . A A . 69 ILE HG22 1 1 20 11216 1 1 25 ILE HG23 H 0.890 -7.046 2.068 1.00 . A A . 69 ILE HG23 1 1 20 11217 1 1 25 ILE N N 3.960 -4.257 0.318 1.00 . A A . 69 ILE N 1 1 20 11218 1 1 25 ILE O O 1.980 -3.236 2.256 1.00 . A A . 69 ILE O 1 1 20 11219 1 1 26 CYS C C -1.080 -2.392 1.978 1.00 . A A . 70 CYS C 1 1 20 11220 1 1 26 CYS CA C 0.022 -1.764 1.116 1.00 . A A . 70 CYS CA 1 1 20 11221 1 1 26 CYS CB C -0.532 -0.944 -0.058 1.00 . A A . 70 CYS CB 1 1 20 11222 1 1 26 CYS H H 0.635 -3.030 -0.497 1.00 . A A . 70 CYS H 1 1 20 11223 1 1 26 CYS HA H 0.665 -1.148 1.714 1.00 . A A . 70 CYS HA 1 1 20 11224 1 1 26 CYS HB2 H -0.053 0.015 -0.077 1.00 . A A . 70 CYS HB2 1 1 20 11225 1 1 26 CYS HB3 H -0.293 -1.463 -0.961 1.00 . A A . 70 CYS HB3 1 1 20 11226 1 1 26 CYS N N 0.810 -2.825 0.442 1.00 . A A . 70 CYS N 1 1 20 11227 1 1 26 CYS O O -1.310 -3.585 1.950 1.00 . A A . 70 CYS O 1 1 20 11228 1 1 26 CYS SG S -2.333 -0.708 0.037 1.00 . A A . 70 CYS SG 1 1 20 11229 1 1 27 PHE C C -3.953 -1.040 3.716 1.00 . A A . 71 PHE C 1 1 20 11230 1 1 27 PHE CA C -2.852 -2.098 3.609 1.00 . A A . 71 PHE CA 1 1 20 11231 1 1 27 PHE CB C -2.199 -2.337 4.971 1.00 . A A . 71 PHE CB 1 1 20 11232 1 1 27 PHE CD1 C -2.008 -4.844 5.156 1.00 . A A . 71 PHE CD1 1 1 20 11233 1 1 27 PHE CD2 C -0.016 -3.556 4.649 1.00 . A A . 71 PHE CD2 1 1 20 11234 1 1 27 PHE CE1 C -1.256 -6.024 5.113 1.00 . A A . 71 PHE CE1 1 1 20 11235 1 1 27 PHE CE2 C 0.735 -4.736 4.605 1.00 . A A . 71 PHE CE2 1 1 20 11236 1 1 27 PHE CG C -1.389 -3.610 4.924 1.00 . A A . 71 PHE CG 1 1 20 11237 1 1 27 PHE CZ C 0.115 -5.970 4.837 1.00 . A A . 71 PHE CZ 1 1 20 11238 1 1 27 PHE H H -1.546 -0.633 2.730 1.00 . A A . 71 PHE H 1 1 20 11239 1 1 27 PHE HA H -3.249 -3.022 3.218 1.00 . A A . 71 PHE HA 1 1 20 11240 1 1 27 PHE HB2 H -1.550 -1.505 5.210 1.00 . A A . 71 PHE HB2 1 1 20 11241 1 1 27 PHE HB3 H -2.967 -2.427 5.728 1.00 . A A . 71 PHE HB3 1 1 20 11242 1 1 27 PHE HD1 H -3.066 -4.885 5.368 1.00 . A A . 71 PHE HD1 1 1 20 11243 1 1 27 PHE HD2 H 0.461 -2.604 4.470 1.00 . A A . 71 PHE HD2 1 1 20 11244 1 1 27 PHE HE1 H -1.734 -6.975 5.292 1.00 . A A . 71 PHE HE1 1 1 20 11245 1 1 27 PHE HE2 H 1.793 -4.695 4.393 1.00 . A A . 71 PHE HE2 1 1 20 11246 1 1 27 PHE HZ H 0.695 -6.880 4.804 1.00 . A A . 71 PHE HZ 1 1 20 11247 1 1 27 PHE N N -1.757 -1.585 2.737 1.00 . A A . 71 PHE N 1 1 20 11248 1 1 27 PHE O O -3.809 -0.048 4.403 1.00 . A A . 71 PHE O 1 1 20 11249 1 1 28 CYS C C -7.020 -0.459 4.317 1.00 . A A . 72 CYS C 1 1 20 11250 1 1 28 CYS CA C -6.147 -0.231 3.083 1.00 . A A . 72 CYS CA 1 1 20 11251 1 1 28 CYS CB C -6.975 -0.457 1.813 1.00 . A A . 72 CYS CB 1 1 20 11252 1 1 28 CYS H H -5.137 -2.038 2.476 1.00 . A A . 72 CYS H 1 1 20 11253 1 1 28 CYS HA H -5.744 0.769 3.086 1.00 . A A . 72 CYS HA 1 1 20 11254 1 1 28 CYS HB2 H -7.651 -1.280 1.973 1.00 . A A . 72 CYS HB2 1 1 20 11255 1 1 28 CYS HB3 H -7.544 0.437 1.596 1.00 . A A . 72 CYS HB3 1 1 20 11256 1 1 28 CYS N N -5.044 -1.236 3.032 1.00 . A A . 72 CYS N 1 1 20 11257 1 1 28 CYS O O -6.578 -0.983 5.320 1.00 . A A . 72 CYS O 1 1 20 11258 1 1 28 CYS SG S -5.895 -0.837 0.408 1.00 . A A . 72 CYS SG 1 1 20 11259 1 1 29 LEU C C -10.352 -1.150 4.981 1.00 . A A . 73 LEU C 1 1 20 11260 1 1 29 LEU CA C -9.181 -0.257 5.400 1.00 . A A . 73 LEU CA 1 1 20 11261 1 1 29 LEU CB C -9.675 1.150 5.754 1.00 . A A . 73 LEU CB 1 1 20 11262 1 1 29 LEU CD1 C -8.641 2.939 4.340 1.00 . A A . 73 LEU CD1 1 1 20 11263 1 1 29 LEU CD2 C -8.569 3.121 6.831 1.00 . A A . 73 LEU CD2 1 1 20 11264 1 1 29 LEU CG C -8.518 2.150 5.647 1.00 . A A . 73 LEU CG 1 1 20 11265 1 1 29 LEU H H -8.594 0.350 3.420 1.00 . A A . 73 LEU H 1 1 20 11266 1 1 29 LEU HA H -8.654 -0.688 6.237 1.00 . A A . 73 LEU HA 1 1 20 11267 1 1 29 LEU HB2 H -10.463 1.436 5.072 1.00 . A A . 73 LEU HB2 1 1 20 11268 1 1 29 LEU HB3 H -10.056 1.152 6.764 1.00 . A A . 73 LEU HB3 1 1 20 11269 1 1 29 LEU HD11 H -8.723 2.251 3.511 1.00 . A A . 73 LEU HD11 1 1 20 11270 1 1 29 LEU HD12 H -9.520 3.564 4.378 1.00 . A A . 73 LEU HD12 1 1 20 11271 1 1 29 LEU HD13 H -7.765 3.557 4.209 1.00 . A A . 73 LEU HD13 1 1 20 11272 1 1 29 LEU HD21 H -9.548 3.576 6.882 1.00 . A A . 73 LEU HD21 1 1 20 11273 1 1 29 LEU HD22 H -8.375 2.583 7.748 1.00 . A A . 73 LEU HD22 1 1 20 11274 1 1 29 LEU HD23 H -7.822 3.890 6.699 1.00 . A A . 73 LEU HD23 1 1 20 11275 1 1 29 LEU HG H -7.579 1.615 5.657 1.00 . A A . 73 LEU HG 1 1 20 11276 1 1 29 LEU N N -8.262 -0.067 4.243 1.00 . A A . 73 LEU N 1 1 20 11277 1 1 29 LEU O O -10.380 -1.652 3.874 1.00 . A A . 73 LEU O 1 1 20 11278 1 1 30 PRO C C -13.274 -1.569 4.423 1.00 . A A . 74 PRO C 1 1 20 11279 1 1 30 PRO CA C -12.472 -2.162 5.586 1.00 . A A . 74 PRO CA 1 1 20 11280 1 1 30 PRO CB C -13.287 -2.125 6.881 1.00 . A A . 74 PRO CB 1 1 20 11281 1 1 30 PRO CD C -11.328 -0.752 7.225 1.00 . A A . 74 PRO CD 1 1 20 11282 1 1 30 PRO CG C -12.360 -1.589 7.929 1.00 . A A . 74 PRO CG 1 1 20 11283 1 1 30 PRO HA H -12.174 -3.172 5.365 1.00 . A A . 74 PRO HA 1 1 20 11284 1 1 30 PRO HB2 H -14.142 -1.472 6.765 1.00 . A A . 74 PRO HB2 1 1 20 11285 1 1 30 PRO HB3 H -13.608 -3.121 7.149 1.00 . A A . 74 PRO HB3 1 1 20 11286 1 1 30 PRO HD2 H -11.639 0.284 7.196 1.00 . A A . 74 PRO HD2 1 1 20 11287 1 1 30 PRO HD3 H -10.367 -0.851 7.702 1.00 . A A . 74 PRO HD3 1 1 20 11288 1 1 30 PRO HG2 H -12.914 -0.981 8.631 1.00 . A A . 74 PRO HG2 1 1 20 11289 1 1 30 PRO HG3 H -11.876 -2.403 8.446 1.00 . A A . 74 PRO HG3 1 1 20 11290 1 1 30 PRO N N -11.286 -1.318 5.877 1.00 . A A . 74 PRO N 1 1 20 11291 1 1 30 PRO O O -14.176 -2.191 3.896 1.00 . A A . 74 PRO O 1 1 20 11292 1 1 31 ALA C C -13.044 -0.091 1.552 1.00 . A A . 75 ALA C 1 1 20 11293 1 1 31 ALA CA C -13.695 0.264 2.893 1.00 . A A . 75 ALA CA 1 1 20 11294 1 1 31 ALA CB C -13.594 1.768 3.152 1.00 . A A . 75 ALA CB 1 1 20 11295 1 1 31 ALA H H -12.224 0.113 4.459 1.00 . A A . 75 ALA H 1 1 20 11296 1 1 31 ALA HA H -14.729 -0.042 2.902 1.00 . A A . 75 ALA HA 1 1 20 11297 1 1 31 ALA HB1 H -12.561 2.032 3.329 1.00 . A A . 75 ALA HB1 1 1 20 11298 1 1 31 ALA HB2 H -13.960 2.307 2.292 1.00 . A A . 75 ALA HB2 1 1 20 11299 1 1 31 ALA HB3 H -14.185 2.024 4.018 1.00 . A A . 75 ALA HB3 1 1 20 11300 1 1 31 ALA N N -12.953 -0.371 4.019 1.00 . A A . 75 ALA N 1 1 20 11301 1 1 31 ALA O O -13.710 -0.219 0.544 1.00 . A A . 75 ALA O 1 1 20 11302 1 1 32 PHE C C -10.385 -1.959 0.361 1.00 . A A . 76 PHE C 1 1 20 11303 1 1 32 PHE CA C -11.063 -0.591 0.254 1.00 . A A . 76 PHE CA 1 1 20 11304 1 1 32 PHE CB C -10.019 0.509 0.054 1.00 . A A . 76 PHE CB 1 1 20 11305 1 1 32 PHE CD1 C -10.855 2.377 1.526 1.00 . A A . 76 PHE CD1 1 1 20 11306 1 1 32 PHE CD2 C -11.089 2.591 -0.879 1.00 . A A . 76 PHE CD2 1 1 20 11307 1 1 32 PHE CE1 C -11.458 3.629 1.696 1.00 . A A . 76 PHE CE1 1 1 20 11308 1 1 32 PHE CE2 C -11.692 3.842 -0.709 1.00 . A A . 76 PHE CE2 1 1 20 11309 1 1 32 PHE CG C -10.670 1.858 0.238 1.00 . A A . 76 PHE CG 1 1 20 11310 1 1 32 PHE CZ C -11.877 4.361 0.579 1.00 . A A . 76 PHE CZ 1 1 20 11311 1 1 32 PHE H H -11.229 -0.140 2.351 1.00 . A A . 76 PHE H 1 1 20 11312 1 1 32 PHE HA H -11.766 -0.582 -0.560 1.00 . A A . 76 PHE HA 1 1 20 11313 1 1 32 PHE HB2 H -9.226 0.389 0.777 1.00 . A A . 76 PHE HB2 1 1 20 11314 1 1 32 PHE HB3 H -9.613 0.441 -0.946 1.00 . A A . 76 PHE HB3 1 1 20 11315 1 1 32 PHE HD1 H -10.531 1.811 2.387 1.00 . A A . 76 PHE HD1 1 1 20 11316 1 1 32 PHE HD2 H -10.946 2.191 -1.872 1.00 . A A . 76 PHE HD2 1 1 20 11317 1 1 32 PHE HE1 H -11.601 4.029 2.688 1.00 . A A . 76 PHE HE1 1 1 20 11318 1 1 32 PHE HE2 H -12.016 4.406 -1.571 1.00 . A A . 76 PHE HE2 1 1 20 11319 1 1 32 PHE HZ H -12.343 5.326 0.709 1.00 . A A . 76 PHE HZ 1 1 20 11320 1 1 32 PHE N N -11.749 -0.249 1.532 1.00 . A A . 76 PHE N 1 1 20 11321 1 1 32 PHE O O -10.406 -2.595 1.395 1.00 . A A . 76 PHE O 1 1 20 11322 1 1 33 GLU C C -8.275 -3.944 -1.937 1.00 . A A . 77 GLU C 1 1 20 11323 1 1 33 GLU CA C -9.101 -3.741 -0.665 1.00 . A A . 77 GLU CA 1 1 20 11324 1 1 33 GLU CB C -10.232 -4.767 -0.588 1.00 . A A . 77 GLU CB 1 1 20 11325 1 1 33 GLU CD C -12.166 -5.770 -1.812 1.00 . A A . 77 GLU CD 1 1 20 11326 1 1 33 GLU CG C -11.031 -4.748 -1.894 1.00 . A A . 77 GLU CG 1 1 20 11327 1 1 33 GLU H H -9.776 -1.886 -1.529 1.00 . A A . 77 GLU H 1 1 20 11328 1 1 33 GLU HA H -8.474 -3.817 0.210 1.00 . A A . 77 GLU HA 1 1 20 11329 1 1 33 GLU HB2 H -9.815 -5.751 -0.434 1.00 . A A . 77 GLU HB2 1 1 20 11330 1 1 33 GLU HB3 H -10.887 -4.521 0.235 1.00 . A A . 77 GLU HB3 1 1 20 11331 1 1 33 GLU HG2 H -11.443 -3.762 -2.049 1.00 . A A . 77 GLU HG2 1 1 20 11332 1 1 33 GLU HG3 H -10.380 -5.002 -2.716 1.00 . A A . 77 GLU HG3 1 1 20 11333 1 1 33 GLU N N -9.782 -2.415 -0.703 1.00 . A A . 77 GLU N 1 1 20 11334 1 1 33 GLU O O -8.744 -3.720 -3.034 1.00 . A A . 77 GLU O 1 1 20 11335 1 1 33 GLU OE1 O -13.049 -5.582 -0.990 1.00 . A A . 77 GLU OE1 1 1 20 11336 1 1 33 GLU OE2 O -12.135 -6.723 -2.573 1.00 . A A . 77 GLU OE2 1 1 20 11337 1 1 34 GLY C C -4.745 -4.237 -2.669 1.00 . A A . 78 GLY C 1 1 20 11338 1 1 34 GLY CA C -6.197 -4.579 -3.002 1.00 . A A . 78 GLY CA 1 1 20 11339 1 1 34 GLY H H -6.688 -4.539 -0.905 1.00 . A A . 78 GLY H 1 1 20 11340 1 1 34 GLY HA2 H -6.264 -5.613 -3.309 1.00 . A A . 78 GLY HA2 1 1 20 11341 1 1 34 GLY HA3 H -6.538 -3.943 -3.804 1.00 . A A . 78 GLY HA3 1 1 20 11342 1 1 34 GLY N N -7.049 -4.365 -1.799 1.00 . A A . 78 GLY N 1 1 20 11343 1 1 34 GLY O O -4.456 -3.634 -1.654 1.00 . A A . 78 GLY O 1 1 20 11344 1 1 35 ARG C C -2.178 -2.808 -3.075 1.00 . A A . 79 ARG C 1 1 20 11345 1 1 35 ARG CA C -2.391 -4.315 -3.254 1.00 . A A . 79 ARG CA 1 1 20 11346 1 1 35 ARG CB C -1.647 -4.818 -4.491 1.00 . A A . 79 ARG CB 1 1 20 11347 1 1 35 ARG CD C 0.586 -5.505 -5.380 1.00 . A A . 79 ARG CD 1 1 20 11348 1 1 35 ARG CG C -0.145 -4.864 -4.199 1.00 . A A . 79 ARG CG 1 1 20 11349 1 1 35 ARG CZ C 2.884 -5.250 -6.102 1.00 . A A . 79 ARG CZ 1 1 20 11350 1 1 35 ARG H H -4.085 -5.099 -4.331 1.00 . A A . 79 ARG H 1 1 20 11351 1 1 35 ARG HA H -2.051 -4.848 -2.380 1.00 . A A . 79 ARG HA 1 1 20 11352 1 1 35 ARG HB2 H -1.996 -5.809 -4.743 1.00 . A A . 79 ARG HB2 1 1 20 11353 1 1 35 ARG HB3 H -1.831 -4.149 -5.319 1.00 . A A . 79 ARG HB3 1 1 20 11354 1 1 35 ARG HD2 H 0.813 -6.540 -5.164 1.00 . A A . 79 ARG HD2 1 1 20 11355 1 1 35 ARG HD3 H -0.007 -5.427 -6.279 1.00 . A A . 79 ARG HD3 1 1 20 11356 1 1 35 ARG HE H 1.882 -3.795 -5.195 1.00 . A A . 79 ARG HE 1 1 20 11357 1 1 35 ARG HG2 H 0.222 -3.860 -4.049 1.00 . A A . 79 ARG HG2 1 1 20 11358 1 1 35 ARG HG3 H 0.030 -5.450 -3.309 1.00 . A A . 79 ARG HG3 1 1 20 11359 1 1 35 ARG HH11 H 1.930 -5.647 -7.817 1.00 . A A . 79 ARG HH11 1 1 20 11360 1 1 35 ARG HH12 H 3.596 -6.116 -7.760 1.00 . A A . 79 ARG HH12 1 1 20 11361 1 1 35 ARG HH21 H 4.081 -4.978 -4.521 1.00 . A A . 79 ARG HH21 1 1 20 11362 1 1 35 ARG HH22 H 4.814 -5.737 -5.894 1.00 . A A . 79 ARG HH22 1 1 20 11363 1 1 35 ARG N N -3.828 -4.616 -3.518 1.00 . A A . 79 ARG N 1 1 20 11364 1 1 35 ARG NE N 1.841 -4.715 -5.529 1.00 . A A . 79 ARG NE 1 1 20 11365 1 1 35 ARG NH1 N 2.796 -5.707 -7.321 1.00 . A A . 79 ARG NH1 1 1 20 11366 1 1 35 ARG NH2 N 4.014 -5.328 -5.455 1.00 . A A . 79 ARG NH2 1 1 20 11367 1 1 35 ARG O O -1.140 -2.373 -2.620 1.00 . A A . 79 ARG O 1 1 20 11368 1 1 36 ASN C C -4.366 0.122 -3.134 1.00 . A A . 80 ASN C 1 1 20 11369 1 1 36 ASN CA C -2.989 -0.534 -3.283 1.00 . A A . 80 ASN CA 1 1 20 11370 1 1 36 ASN CB C -2.321 -0.078 -4.578 1.00 . A A . 80 ASN CB 1 1 20 11371 1 1 36 ASN CG C -0.983 -0.801 -4.746 1.00 . A A . 80 ASN CG 1 1 20 11372 1 1 36 ASN H H -3.972 -2.377 -3.805 1.00 . A A . 80 ASN H 1 1 20 11373 1 1 36 ASN HA H -2.358 -0.301 -2.435 1.00 . A A . 80 ASN HA 1 1 20 11374 1 1 36 ASN HB2 H -2.964 -0.309 -5.417 1.00 . A A . 80 ASN HB2 1 1 20 11375 1 1 36 ASN HB3 H -2.149 0.988 -4.540 1.00 . A A . 80 ASN HB3 1 1 20 11376 1 1 36 ASN HD21 H 0.055 0.604 -3.797 1.00 . A A . 80 ASN HD21 1 1 20 11377 1 1 36 ASN HD22 H 0.967 -0.720 -4.367 1.00 . A A . 80 ASN HD22 1 1 20 11378 1 1 36 ASN N N -3.145 -2.010 -3.433 1.00 . A A . 80 ASN N 1 1 20 11379 1 1 36 ASN ND2 N 0.103 -0.260 -4.263 1.00 . A A . 80 ASN ND2 1 1 20 11380 1 1 36 ASN O O -4.554 1.273 -3.472 1.00 . A A . 80 ASN O 1 1 20 11381 1 1 36 ASN OD1 O -0.925 -1.869 -5.323 1.00 . A A . 80 ASN OD1 1 1 20 11382 1 1 37 CYS C C -7.292 0.291 -3.859 1.00 . A A . 81 CYS C 1 1 20 11383 1 1 37 CYS CA C -6.702 -0.030 -2.484 1.00 . A A . 81 CYS CA 1 1 20 11384 1 1 37 CYS CB C -6.523 1.259 -1.677 1.00 . A A . 81 CYS CB 1 1 20 11385 1 1 37 CYS H H -5.159 -1.538 -2.384 1.00 . A A . 81 CYS H 1 1 20 11386 1 1 37 CYS HA H -7.340 -0.716 -1.950 1.00 . A A . 81 CYS HA 1 1 20 11387 1 1 37 CYS HB2 H -6.132 2.033 -2.318 1.00 . A A . 81 CYS HB2 1 1 20 11388 1 1 37 CYS HB3 H -7.481 1.569 -1.284 1.00 . A A . 81 CYS HB3 1 1 20 11389 1 1 37 CYS N N -5.332 -0.607 -2.643 1.00 . A A . 81 CYS N 1 1 20 11390 1 1 37 CYS O O -8.320 0.930 -3.971 1.00 . A A . 81 CYS O 1 1 20 11391 1 1 37 CYS SG S -5.377 0.975 -0.308 1.00 . A A . 81 CYS SG 1 1 20 11392 1 1 38 GLU C C -8.553 -0.497 -6.453 1.00 . A A . 82 GLU C 1 1 20 11393 1 1 38 GLU CA C -7.167 0.135 -6.273 1.00 . A A . 82 GLU CA 1 1 20 11394 1 1 38 GLU CB C -6.135 -0.497 -7.216 1.00 . A A . 82 GLU CB 1 1 20 11395 1 1 38 GLU CD C -5.785 -1.604 -9.431 1.00 . A A . 82 GLU CD 1 1 20 11396 1 1 38 GLU CG C -6.789 -0.852 -8.555 1.00 . A A . 82 GLU CG 1 1 20 11397 1 1 38 GLU H H -5.821 -0.657 -4.792 1.00 . A A . 82 GLU H 1 1 20 11398 1 1 38 GLU HA H -7.216 1.199 -6.443 1.00 . A A . 82 GLU HA 1 1 20 11399 1 1 38 GLU HB2 H -5.331 0.207 -7.388 1.00 . A A . 82 GLU HB2 1 1 20 11400 1 1 38 GLU HB3 H -5.735 -1.393 -6.763 1.00 . A A . 82 GLU HB3 1 1 20 11401 1 1 38 GLU HG2 H -7.653 -1.477 -8.379 1.00 . A A . 82 GLU HG2 1 1 20 11402 1 1 38 GLU HG3 H -7.096 0.052 -9.058 1.00 . A A . 82 GLU HG3 1 1 20 11403 1 1 38 GLU N N -6.648 -0.146 -4.905 1.00 . A A . 82 GLU N 1 1 20 11404 1 1 38 GLU O O -9.250 -0.222 -7.410 1.00 . A A . 82 GLU O 1 1 20 11405 1 1 38 GLU OE1 O -4.975 -0.948 -10.066 1.00 . A A . 82 GLU OE1 1 1 20 11406 1 1 38 GLU OE2 O -5.843 -2.822 -9.451 1.00 . A A . 82 GLU OE2 1 1 20 11407 1 1 39 THR C C -11.245 -1.445 -4.580 1.00 . A A . 83 THR C 1 1 20 11408 1 1 39 THR CA C -10.306 -1.974 -5.667 1.00 . A A . 83 THR CA 1 1 20 11409 1 1 39 THR CB C -10.057 -3.471 -5.480 1.00 . A A . 83 THR CB 1 1 20 11410 1 1 39 THR CG2 C -10.957 -4.261 -6.432 1.00 . A A . 83 THR CG2 1 1 20 11411 1 1 39 THR H H -8.393 -1.546 -4.773 1.00 . A A . 83 THR H 1 1 20 11412 1 1 39 THR HA H -10.720 -1.788 -6.645 1.00 . A A . 83 THR HA 1 1 20 11413 1 1 39 THR HB H -10.285 -3.751 -4.463 1.00 . A A . 83 THR HB 1 1 20 11414 1 1 39 THR HG1 H -8.164 -3.420 -5.037 1.00 . A A . 83 THR HG1 1 1 20 11415 1 1 39 THR HG21 H -11.669 -3.590 -6.892 1.00 . A A . 83 THR HG21 1 1 20 11416 1 1 39 THR HG22 H -10.352 -4.723 -7.198 1.00 . A A . 83 THR HG22 1 1 20 11417 1 1 39 THR HG23 H -11.484 -5.023 -5.880 1.00 . A A . 83 THR HG23 1 1 20 11418 1 1 39 THR N N -8.964 -1.337 -5.541 1.00 . A A . 83 THR N 1 1 20 11419 1 1 39 THR O O -11.508 -2.108 -3.596 1.00 . A A . 83 THR O 1 1 20 11420 1 1 39 THR OG1 O -8.695 -3.762 -5.760 1.00 . A A . 83 THR OG1 1 1 20 11421 1 1 40 HIS C C -13.886 -0.595 -3.537 1.00 . A A . 84 HIS C 1 1 20 11422 1 1 40 HIS CA C -12.672 0.319 -3.725 1.00 . A A . 84 HIS CA 1 1 20 11423 1 1 40 HIS CB C -13.101 1.673 -4.293 1.00 . A A . 84 HIS CB 1 1 20 11424 1 1 40 HIS CD2 C -14.436 3.264 -2.683 1.00 . A A . 84 HIS CD2 1 1 20 11425 1 1 40 HIS CE1 C -16.358 2.269 -2.780 1.00 . A A . 84 HIS CE1 1 1 20 11426 1 1 40 HIS CG C -14.286 2.188 -3.523 1.00 . A A . 84 HIS CG 1 1 20 11427 1 1 40 HIS H H -11.525 0.264 -5.550 1.00 . A A . 84 HIS H 1 1 20 11428 1 1 40 HIS HA H -12.156 0.459 -2.789 1.00 . A A . 84 HIS HA 1 1 20 11429 1 1 40 HIS HB2 H -12.284 2.373 -4.209 1.00 . A A . 84 HIS HB2 1 1 20 11430 1 1 40 HIS HB3 H -13.371 1.557 -5.333 1.00 . A A . 84 HIS HB3 1 1 20 11431 1 1 40 HIS HD1 H -15.751 0.765 -4.084 1.00 . A A . 84 HIS HD1 1 1 20 11432 1 1 40 HIS HD2 H -13.657 3.965 -2.425 1.00 . A A . 84 HIS HD2 1 1 20 11433 1 1 40 HIS HE1 H -17.398 2.018 -2.622 1.00 . A A . 84 HIS HE1 1 1 20 11434 1 1 40 HIS N N -11.751 -0.254 -4.749 1.00 . A A . 84 HIS N 1 1 20 11435 1 1 40 HIS ND1 N -15.525 1.568 -3.570 1.00 . A A . 84 HIS ND1 1 1 20 11436 1 1 40 HIS NE2 N -15.746 3.313 -2.215 1.00 . A A . 84 HIS NE2 1 1 20 11437 1 1 40 HIS O O -14.544 -0.971 -4.486 1.00 . A A . 84 HIS O 1 1 20 11438 1 1 41 LYS C C -16.655 -1.135 -2.479 1.00 . A A . 85 LYS C 1 1 20 11439 1 1 41 LYS CA C -15.360 -1.844 -2.075 1.00 . A A . 85 LYS CA 1 1 20 11440 1 1 41 LYS CB C -15.345 -2.116 -0.569 1.00 . A A . 85 LYS CB 1 1 20 11441 1 1 41 LYS CD C -14.005 -3.056 1.320 1.00 . A A . 85 LYS CD 1 1 20 11442 1 1 41 LYS CE C -13.590 -4.514 1.530 1.00 . A A . 85 LYS CE 1 1 20 11443 1 1 41 LYS CG C -14.001 -2.735 -0.176 1.00 . A A . 85 LYS CG 1 1 20 11444 1 1 41 LYS H H -13.645 -0.641 -1.566 1.00 . A A . 85 LYS H 1 1 20 11445 1 1 41 LYS HA H -15.251 -2.771 -2.617 1.00 . A A . 85 LYS HA 1 1 20 11446 1 1 41 LYS HB2 H -15.485 -1.186 -0.035 1.00 . A A . 85 LYS HB2 1 1 20 11447 1 1 41 LYS HB3 H -16.142 -2.802 -0.319 1.00 . A A . 85 LYS HB3 1 1 20 11448 1 1 41 LYS HD2 H -13.310 -2.405 1.829 1.00 . A A . 85 LYS HD2 1 1 20 11449 1 1 41 LYS HD3 H -14.997 -2.906 1.718 1.00 . A A . 85 LYS HD3 1 1 20 11450 1 1 41 LYS HE2 H -12.730 -4.750 0.917 1.00 . A A . 85 LYS HE2 1 1 20 11451 1 1 41 LYS HE3 H -13.375 -4.699 2.571 1.00 . A A . 85 LYS HE3 1 1 20 11452 1 1 41 LYS HG2 H -13.844 -3.642 -0.741 1.00 . A A . 85 LYS HG2 1 1 20 11453 1 1 41 LYS HG3 H -13.207 -2.035 -0.390 1.00 . A A . 85 LYS HG3 1 1 20 11454 1 1 41 LYS HZ1 H -15.632 -4.915 1.524 1.00 . A A . 85 LYS HZ1 1 1 20 11455 1 1 41 LYS HZ2 H -14.850 -5.292 0.067 1.00 . A A . 85 LYS HZ2 1 1 20 11456 1 1 41 LYS HZ3 H -14.654 -6.300 1.420 1.00 . A A . 85 LYS HZ3 1 1 20 11457 1 1 41 LYS N N -14.188 -0.955 -2.319 1.00 . A A . 85 LYS N 1 1 20 11458 1 1 41 LYS NZ N -14.770 -5.315 1.103 1.00 . A A . 85 LYS NZ 1 1 20 11459 1 1 41 LYS O O -16.894 -1.016 -3.670 1.00 . A A . 85 LYS O 1 1 20 11460 1 1 41 LYS OXT O -17.385 -0.725 -1.591 1.00 . A A . 85 LYS OXT 1 1 21 11461 1 1 1 SER C C 15.328 -1.672 2.536 1.00 . A A . 45 SER C 1 1 21 11462 1 1 1 SER CA C 15.751 -0.984 1.236 1.00 . A A . 45 SER CA 1 1 21 11463 1 1 1 SER CB C 14.560 -0.855 0.286 1.00 . A A . 45 SER CB 1 1 21 11464 1 1 1 SER H1 H 16.435 -2.822 0.534 1.00 . A A . 45 SER H1 1 1 21 11465 1 1 1 SER H2 H 16.796 -1.516 -0.486 1.00 . A A . 45 SER H2 1 1 21 11466 1 1 1 SER H3 H 17.673 -1.736 0.953 1.00 . A A . 45 SER H3 1 1 21 11467 1 1 1 SER HA H 16.167 -0.010 1.441 1.00 . A A . 45 SER HA 1 1 21 11468 1 1 1 SER HB2 H 14.124 0.125 0.383 1.00 . A A . 45 SER HB2 1 1 21 11469 1 1 1 SER HB3 H 14.897 -0.997 -0.732 1.00 . A A . 45 SER HB3 1 1 21 11470 1 1 1 SER HG H 12.941 -1.427 1.200 1.00 . A A . 45 SER HG 1 1 21 11471 1 1 1 SER N N 16.738 -1.829 0.504 1.00 . A A . 45 SER N 1 1 21 11472 1 1 1 SER O O 15.608 -2.833 2.755 1.00 . A A . 45 SER O 1 1 21 11473 1 1 1 SER OG O 13.586 -1.835 0.618 1.00 . A A . 45 SER OG 1 1 21 11474 1 1 2 ASP C C 12.855 -1.017 5.105 1.00 . A A . 46 ASP C 1 1 21 11475 1 1 2 ASP CA C 14.217 -1.577 4.687 1.00 . A A . 46 ASP CA 1 1 21 11476 1 1 2 ASP CB C 15.292 -1.185 5.701 1.00 . A A . 46 ASP CB 1 1 21 11477 1 1 2 ASP CG C 15.209 -2.109 6.917 1.00 . A A . 46 ASP CG 1 1 21 11478 1 1 2 ASP H H 14.440 -0.027 3.207 1.00 . A A . 46 ASP H 1 1 21 11479 1 1 2 ASP HA H 14.171 -2.652 4.596 1.00 . A A . 46 ASP HA 1 1 21 11480 1 1 2 ASP HB2 H 16.267 -1.276 5.244 1.00 . A A . 46 ASP HB2 1 1 21 11481 1 1 2 ASP HB3 H 15.135 -0.164 6.016 1.00 . A A . 46 ASP HB3 1 1 21 11482 1 1 2 ASP N N 14.656 -0.963 3.402 1.00 . A A . 46 ASP N 1 1 21 11483 1 1 2 ASP O O 12.407 -1.213 6.217 1.00 . A A . 46 ASP O 1 1 21 11484 1 1 2 ASP OD1 O 15.017 -3.297 6.722 1.00 . A A . 46 ASP OD1 1 1 21 11485 1 1 2 ASP OD2 O 15.340 -1.612 8.024 1.00 . A A . 46 ASP OD2 1 1 21 11486 1 1 3 GLY C C 10.693 1.609 3.888 1.00 . A A . 47 GLY C 1 1 21 11487 1 1 3 GLY CA C 10.860 0.250 4.569 1.00 . A A . 47 GLY CA 1 1 21 11488 1 1 3 GLY H H 12.572 -0.175 3.329 1.00 . A A . 47 GLY H 1 1 21 11489 1 1 3 GLY HA2 H 10.083 -0.422 4.233 1.00 . A A . 47 GLY HA2 1 1 21 11490 1 1 3 GLY HA3 H 10.791 0.376 5.639 1.00 . A A . 47 GLY HA3 1 1 21 11491 1 1 3 GLY N N 12.193 -0.321 4.222 1.00 . A A . 47 GLY N 1 1 21 11492 1 1 3 GLY O O 10.164 2.541 4.463 1.00 . A A . 47 GLY O 1 1 21 11493 1 1 4 ASP C C 10.246 2.838 0.633 1.00 . A A . 48 ASP C 1 1 21 11494 1 1 4 ASP CA C 10.999 3.032 1.951 1.00 . A A . 48 ASP CA 1 1 21 11495 1 1 4 ASP CB C 12.428 3.488 1.676 1.00 . A A . 48 ASP CB 1 1 21 11496 1 1 4 ASP CG C 13.204 3.563 2.992 1.00 . A A . 48 ASP CG 1 1 21 11497 1 1 4 ASP H H 11.558 0.967 2.220 1.00 . A A . 48 ASP H 1 1 21 11498 1 1 4 ASP HA H 10.494 3.754 2.573 1.00 . A A . 48 ASP HA 1 1 21 11499 1 1 4 ASP HB2 H 12.906 2.782 1.013 1.00 . A A . 48 ASP HB2 1 1 21 11500 1 1 4 ASP HB3 H 12.409 4.462 1.214 1.00 . A A . 48 ASP HB3 1 1 21 11501 1 1 4 ASP N N 11.135 1.731 2.667 1.00 . A A . 48 ASP N 1 1 21 11502 1 1 4 ASP O O 10.030 3.776 -0.108 1.00 . A A . 48 ASP O 1 1 21 11503 1 1 4 ASP OD1 O 13.115 2.624 3.765 1.00 . A A . 48 ASP OD1 1 1 21 11504 1 1 4 ASP OD2 O 13.876 4.560 3.204 1.00 . A A . 48 ASP OD2 1 1 21 11505 1 1 5 GLN C C 8.144 2.513 -1.218 1.00 . A A . 49 GLN C 1 1 21 11506 1 1 5 GLN CA C 9.104 1.365 -0.928 1.00 . A A . 49 GLN CA 1 1 21 11507 1 1 5 GLN CB C 8.303 0.095 -0.667 1.00 . A A . 49 GLN CB 1 1 21 11508 1 1 5 GLN CD C 8.941 -1.111 1.418 1.00 . A A . 49 GLN CD 1 1 21 11509 1 1 5 GLN CG C 9.207 -0.991 -0.084 1.00 . A A . 49 GLN CG 1 1 21 11510 1 1 5 GLN H H 10.039 0.893 0.958 1.00 . A A . 49 GLN H 1 1 21 11511 1 1 5 GLN HA H 9.780 1.212 -1.747 1.00 . A A . 49 GLN HA 1 1 21 11512 1 1 5 GLN HB2 H 7.516 0.320 0.031 1.00 . A A . 49 GLN HB2 1 1 21 11513 1 1 5 GLN HB3 H 7.871 -0.254 -1.591 1.00 . A A . 49 GLN HB3 1 1 21 11514 1 1 5 GLN HE21 H 6.966 -0.970 1.221 1.00 . A A . 49 GLN HE21 1 1 21 11515 1 1 5 GLN HE22 H 7.530 -1.146 2.819 1.00 . A A . 49 GLN HE22 1 1 21 11516 1 1 5 GLN HG2 H 8.997 -1.934 -0.567 1.00 . A A . 49 GLN HG2 1 1 21 11517 1 1 5 GLN HG3 H 10.241 -0.725 -0.244 1.00 . A A . 49 GLN HG3 1 1 21 11518 1 1 5 GLN N N 9.848 1.629 0.341 1.00 . A A . 49 GLN N 1 1 21 11519 1 1 5 GLN NE2 N 7.711 -1.073 1.855 1.00 . A A . 49 GLN NE2 1 1 21 11520 1 1 5 GLN O O 8.126 3.078 -2.294 1.00 . A A . 49 GLN O 1 1 21 11521 1 1 5 GLN OE1 O 9.861 -1.239 2.201 1.00 . A A . 49 GLN OE1 1 1 21 11522 1 1 6 CYS C C 7.026 5.309 -0.172 1.00 . A A . 50 CYS C 1 1 21 11523 1 1 6 CYS CA C 6.362 3.957 -0.438 1.00 . A A . 50 CYS CA 1 1 21 11524 1 1 6 CYS CB C 5.255 3.688 0.585 1.00 . A A . 50 CYS CB 1 1 21 11525 1 1 6 CYS H H 7.386 2.367 0.597 1.00 . A A . 50 CYS H 1 1 21 11526 1 1 6 CYS HA H 5.954 3.930 -1.435 1.00 . A A . 50 CYS HA 1 1 21 11527 1 1 6 CYS HB2 H 4.536 4.493 0.556 1.00 . A A . 50 CYS HB2 1 1 21 11528 1 1 6 CYS HB3 H 4.762 2.758 0.344 1.00 . A A . 50 CYS HB3 1 1 21 11529 1 1 6 CYS N N 7.342 2.849 -0.253 1.00 . A A . 50 CYS N 1 1 21 11530 1 1 6 CYS O O 6.725 5.980 0.796 1.00 . A A . 50 CYS O 1 1 21 11531 1 1 6 CYS SG S 5.966 3.582 2.248 1.00 . A A . 50 CYS SG 1 1 21 11532 1 1 7 ALA C C 7.674 8.166 -1.288 1.00 . A A . 51 ALA C 1 1 21 11533 1 1 7 ALA CA C 8.596 7.034 -0.828 1.00 . A A . 51 ALA CA 1 1 21 11534 1 1 7 ALA CB C 9.850 6.973 -1.700 1.00 . A A . 51 ALA CB 1 1 21 11535 1 1 7 ALA H H 8.145 5.167 -1.805 1.00 . A A . 51 ALA H 1 1 21 11536 1 1 7 ALA HA H 8.870 7.165 0.207 1.00 . A A . 51 ALA HA 1 1 21 11537 1 1 7 ALA HB1 H 9.580 6.666 -2.700 1.00 . A A . 51 ALA HB1 1 1 21 11538 1 1 7 ALA HB2 H 10.312 7.949 -1.735 1.00 . A A . 51 ALA HB2 1 1 21 11539 1 1 7 ALA HB3 H 10.546 6.260 -1.282 1.00 . A A . 51 ALA HB3 1 1 21 11540 1 1 7 ALA N N 7.921 5.719 -1.028 1.00 . A A . 51 ALA N 1 1 21 11541 1 1 7 ALA O O 7.865 9.316 -0.945 1.00 . A A . 51 ALA O 1 1 21 11542 1 1 8 SER C C 4.287 8.477 -2.263 1.00 . A A . 52 SER C 1 1 21 11543 1 1 8 SER CA C 5.732 8.897 -2.544 1.00 . A A . 52 SER CA 1 1 21 11544 1 1 8 SER CB C 5.981 8.992 -4.048 1.00 . A A . 52 SER CB 1 1 21 11545 1 1 8 SER H H 6.536 6.911 -2.322 1.00 . A A . 52 SER H 1 1 21 11546 1 1 8 SER HA H 5.949 9.842 -2.073 1.00 . A A . 52 SER HA 1 1 21 11547 1 1 8 SER HB2 H 6.598 8.167 -4.366 1.00 . A A . 52 SER HB2 1 1 21 11548 1 1 8 SER HB3 H 5.035 8.954 -4.572 1.00 . A A . 52 SER HB3 1 1 21 11549 1 1 8 SER HG H 6.399 10.854 -3.667 1.00 . A A . 52 SER HG 1 1 21 11550 1 1 8 SER N N 6.672 7.845 -2.060 1.00 . A A . 52 SER N 1 1 21 11551 1 1 8 SER O O 3.355 8.998 -2.841 1.00 . A A . 52 SER O 1 1 21 11552 1 1 8 SER OG O 6.650 10.213 -4.337 1.00 . A A . 52 SER OG 1 1 21 11553 1 1 9 SER C C 2.107 6.320 -2.239 1.00 . A A . 53 SER C 1 1 21 11554 1 1 9 SER CA C 2.712 7.078 -1.053 1.00 . A A . 53 SER CA 1 1 21 11555 1 1 9 SER CB C 1.922 8.356 -0.775 1.00 . A A . 53 SER CB 1 1 21 11556 1 1 9 SER H H 4.863 7.130 -0.923 1.00 . A A . 53 SER H 1 1 21 11557 1 1 9 SER HA H 2.720 6.453 -0.174 1.00 . A A . 53 SER HA 1 1 21 11558 1 1 9 SER HB2 H 2.583 9.114 -0.387 1.00 . A A . 53 SER HB2 1 1 21 11559 1 1 9 SER HB3 H 1.473 8.709 -1.695 1.00 . A A . 53 SER HB3 1 1 21 11560 1 1 9 SER HG H 1.210 8.415 1.036 1.00 . A A . 53 SER HG 1 1 21 11561 1 1 9 SER N N 4.096 7.536 -1.377 1.00 . A A . 53 SER N 1 1 21 11562 1 1 9 SER O O 1.311 6.860 -2.980 1.00 . A A . 53 SER O 1 1 21 11563 1 1 9 SER OG O 0.910 8.083 0.187 1.00 . A A . 53 SER OG 1 1 21 11564 1 1 10 PRO C C 0.625 3.678 -3.102 1.00 . A A . 54 PRO C 1 1 21 11565 1 1 10 PRO CA C 2.001 4.236 -3.472 1.00 . A A . 54 PRO CA 1 1 21 11566 1 1 10 PRO CB C 3.030 3.113 -3.561 1.00 . A A . 54 PRO CB 1 1 21 11567 1 1 10 PRO CD C 3.458 4.370 -1.518 1.00 . A A . 54 PRO CD 1 1 21 11568 1 1 10 PRO CG C 3.660 3.039 -2.202 1.00 . A A . 54 PRO CG 1 1 21 11569 1 1 10 PRO HA H 1.962 4.783 -4.399 1.00 . A A . 54 PRO HA 1 1 21 11570 1 1 10 PRO HB2 H 2.540 2.178 -3.800 1.00 . A A . 54 PRO HB2 1 1 21 11571 1 1 10 PRO HB3 H 3.779 3.347 -4.301 1.00 . A A . 54 PRO HB3 1 1 21 11572 1 1 10 PRO HD2 H 3.044 4.225 -0.529 1.00 . A A . 54 PRO HD2 1 1 21 11573 1 1 10 PRO HD3 H 4.388 4.914 -1.462 1.00 . A A . 54 PRO HD3 1 1 21 11574 1 1 10 PRO HG2 H 3.190 2.254 -1.625 1.00 . A A . 54 PRO HG2 1 1 21 11575 1 1 10 PRO HG3 H 4.715 2.838 -2.300 1.00 . A A . 54 PRO HG3 1 1 21 11576 1 1 10 PRO N N 2.508 5.085 -2.373 1.00 . A A . 54 PRO N 1 1 21 11577 1 1 10 PRO O O -0.118 3.211 -3.942 1.00 . A A . 54 PRO O 1 1 21 11578 1 1 11 CYS C C -2.084 4.311 -1.473 1.00 . A A . 55 CYS C 1 1 21 11579 1 1 11 CYS CA C -1.034 3.198 -1.399 1.00 . A A . 55 CYS CA 1 1 21 11580 1 1 11 CYS CB C -0.837 2.746 0.058 1.00 . A A . 55 CYS CB 1 1 21 11581 1 1 11 CYS H H 0.908 4.105 -1.185 1.00 . A A . 55 CYS H 1 1 21 11582 1 1 11 CYS HA H -1.331 2.359 -2.010 1.00 . A A . 55 CYS HA 1 1 21 11583 1 1 11 CYS HB2 H -0.972 3.594 0.714 1.00 . A A . 55 CYS HB2 1 1 21 11584 1 1 11 CYS HB3 H -1.570 1.989 0.297 1.00 . A A . 55 CYS HB3 1 1 21 11585 1 1 11 CYS N N 0.288 3.724 -1.844 1.00 . A A . 55 CYS N 1 1 21 11586 1 1 11 CYS O O -1.756 5.481 -1.506 1.00 . A A . 55 CYS O 1 1 21 11587 1 1 11 CYS SG S 0.831 2.067 0.298 1.00 . A A . 55 CYS SG 1 1 21 11588 1 1 12 GLN C C -5.532 4.684 -0.595 1.00 . A A . 56 GLN C 1 1 21 11589 1 1 12 GLN CA C -4.399 5.008 -1.565 1.00 . A A . 56 GLN CA 1 1 21 11590 1 1 12 GLN CB C -4.914 4.975 -3.005 1.00 . A A . 56 GLN CB 1 1 21 11591 1 1 12 GLN CD C -4.089 4.741 -5.351 1.00 . A A . 56 GLN CD 1 1 21 11592 1 1 12 GLN CG C -3.775 5.310 -3.967 1.00 . A A . 56 GLN CG 1 1 21 11593 1 1 12 GLN H H -3.589 3.018 -1.467 1.00 . A A . 56 GLN H 1 1 21 11594 1 1 12 GLN HA H -3.982 5.977 -1.347 1.00 . A A . 56 GLN HA 1 1 21 11595 1 1 12 GLN HB2 H -5.301 3.990 -3.227 1.00 . A A . 56 GLN HB2 1 1 21 11596 1 1 12 GLN HB3 H -5.703 5.704 -3.120 1.00 . A A . 56 GLN HB3 1 1 21 11597 1 1 12 GLN HE21 H -6.050 4.669 -5.030 1.00 . A A . 56 GLN HE21 1 1 21 11598 1 1 12 GLN HE22 H -5.540 4.125 -6.564 1.00 . A A . 56 GLN HE22 1 1 21 11599 1 1 12 GLN HG2 H -3.666 6.382 -4.032 1.00 . A A . 56 GLN HG2 1 1 21 11600 1 1 12 GLN HG3 H -2.856 4.875 -3.602 1.00 . A A . 56 GLN HG3 1 1 21 11601 1 1 12 GLN N N -3.340 3.962 -1.497 1.00 . A A . 56 GLN N 1 1 21 11602 1 1 12 GLN NE2 N -5.329 4.491 -5.675 1.00 . A A . 56 GLN NE2 1 1 21 11603 1 1 12 GLN O O -5.481 3.718 0.140 1.00 . A A . 56 GLN O 1 1 21 11604 1 1 12 GLN OE1 O -3.199 4.522 -6.148 1.00 . A A . 56 GLN OE1 1 1 21 11605 1 1 13 ASN C C -7.217 5.088 1.762 1.00 . A A . 57 ASN C 1 1 21 11606 1 1 13 ASN CA C -7.709 5.223 0.320 1.00 . A A . 57 ASN CA 1 1 21 11607 1 1 13 ASN CB C -8.318 3.906 -0.170 1.00 . A A . 57 ASN CB 1 1 21 11608 1 1 13 ASN CG C -8.326 3.877 -1.702 1.00 . A A . 57 ASN CG 1 1 21 11609 1 1 13 ASN H H -6.580 6.253 -1.202 1.00 . A A . 57 ASN H 1 1 21 11610 1 1 13 ASN HA H -8.435 6.015 0.243 1.00 . A A . 57 ASN HA 1 1 21 11611 1 1 13 ASN HB2 H -7.731 3.079 0.203 1.00 . A A . 57 ASN HB2 1 1 21 11612 1 1 13 ASN HB3 H -9.330 3.821 0.195 1.00 . A A . 57 ASN HB3 1 1 21 11613 1 1 13 ASN HD21 H -9.809 5.190 -1.862 1.00 . A A . 57 ASN HD21 1 1 21 11614 1 1 13 ASN HD22 H -9.180 4.609 -3.338 1.00 . A A . 57 ASN HD22 1 1 21 11615 1 1 13 ASN N N -6.559 5.483 -0.595 1.00 . A A . 57 ASN N 1 1 21 11616 1 1 13 ASN ND2 N -9.177 4.619 -2.354 1.00 . A A . 57 ASN ND2 1 1 21 11617 1 1 13 ASN O O -7.689 4.259 2.514 1.00 . A A . 57 ASN O 1 1 21 11618 1 1 13 ASN OD1 O -7.546 3.176 -2.311 1.00 . A A . 57 ASN OD1 1 1 21 11619 1 1 14 GLY C C -5.099 4.466 3.793 1.00 . A A . 58 GLY C 1 1 21 11620 1 1 14 GLY CA C -5.756 5.828 3.548 1.00 . A A . 58 GLY CA 1 1 21 11621 1 1 14 GLY H H -5.915 6.564 1.530 1.00 . A A . 58 GLY H 1 1 21 11622 1 1 14 GLY HA2 H -5.027 6.611 3.700 1.00 . A A . 58 GLY HA2 1 1 21 11623 1 1 14 GLY HA3 H -6.572 5.959 4.243 1.00 . A A . 58 GLY HA3 1 1 21 11624 1 1 14 GLY N N -6.276 5.901 2.154 1.00 . A A . 58 GLY N 1 1 21 11625 1 1 14 GLY O O -5.122 3.948 4.892 1.00 . A A . 58 GLY O 1 1 21 11626 1 1 15 GLY C C -2.362 2.772 3.262 1.00 . A A . 59 GLY C 1 1 21 11627 1 1 15 GLY CA C -3.851 2.560 2.975 1.00 . A A . 59 GLY CA 1 1 21 11628 1 1 15 GLY H H -4.497 4.317 1.905 1.00 . A A . 59 GLY H 1 1 21 11629 1 1 15 GLY HA2 H -4.313 2.046 3.810 1.00 . A A . 59 GLY HA2 1 1 21 11630 1 1 15 GLY HA3 H -3.963 1.966 2.078 1.00 . A A . 59 GLY HA3 1 1 21 11631 1 1 15 GLY N N -4.511 3.884 2.784 1.00 . A A . 59 GLY N 1 1 21 11632 1 1 15 GLY O O -1.725 3.626 2.678 1.00 . A A . 59 GLY O 1 1 21 11633 1 1 16 SER C C 0.507 1.382 3.496 1.00 . A A . 60 SER C 1 1 21 11634 1 1 16 SER CA C -0.355 2.171 4.486 1.00 . A A . 60 SER CA 1 1 21 11635 1 1 16 SER CB C -0.201 1.603 5.895 1.00 . A A . 60 SER CB 1 1 21 11636 1 1 16 SER H H -2.334 1.325 4.622 1.00 . A A . 60 SER H 1 1 21 11637 1 1 16 SER HA H -0.082 3.214 4.476 1.00 . A A . 60 SER HA 1 1 21 11638 1 1 16 SER HB2 H -1.133 1.701 6.428 1.00 . A A . 60 SER HB2 1 1 21 11639 1 1 16 SER HB3 H 0.066 0.556 5.834 1.00 . A A . 60 SER HB3 1 1 21 11640 1 1 16 SER HG H 1.413 2.690 5.933 1.00 . A A . 60 SER HG 1 1 21 11641 1 1 16 SER N N -1.803 2.007 4.160 1.00 . A A . 60 SER N 1 1 21 11642 1 1 16 SER O O 0.002 0.750 2.592 1.00 . A A . 60 SER O 1 1 21 11643 1 1 16 SER OG O 0.810 2.326 6.586 1.00 . A A . 60 SER OG 1 1 21 11644 1 1 17 CYS C C 3.562 -0.332 3.526 1.00 . A A . 61 CYS C 1 1 21 11645 1 1 17 CYS CA C 2.700 0.660 2.736 1.00 . A A . 61 CYS CA 1 1 21 11646 1 1 17 CYS CB C 3.575 1.728 2.069 1.00 . A A . 61 CYS CB 1 1 21 11647 1 1 17 CYS H H 2.188 1.929 4.403 1.00 . A A . 61 CYS H 1 1 21 11648 1 1 17 CYS HA H 2.118 0.143 1.990 1.00 . A A . 61 CYS HA 1 1 21 11649 1 1 17 CYS HB2 H 4.212 1.260 1.333 1.00 . A A . 61 CYS HB2 1 1 21 11650 1 1 17 CYS HB3 H 2.946 2.461 1.586 1.00 . A A . 61 CYS HB3 1 1 21 11651 1 1 17 CYS N N 1.804 1.413 3.664 1.00 . A A . 61 CYS N 1 1 21 11652 1 1 17 CYS O O 4.300 0.042 4.415 1.00 . A A . 61 CYS O 1 1 21 11653 1 1 17 CYS SG S 4.600 2.544 3.318 1.00 . A A . 61 CYS SG 1 1 21 11654 1 1 18 LYS C C 5.579 -2.929 3.207 1.00 . A A . 62 LYS C 1 1 21 11655 1 1 18 LYS CA C 4.278 -2.618 3.950 1.00 . A A . 62 LYS CA 1 1 21 11656 1 1 18 LYS CB C 3.404 -3.869 3.999 1.00 . A A . 62 LYS CB 1 1 21 11657 1 1 18 LYS CD C 3.040 -5.551 5.808 1.00 . A A . 62 LYS CD 1 1 21 11658 1 1 18 LYS CE C 3.748 -6.217 6.990 1.00 . A A . 62 LYS CE 1 1 21 11659 1 1 18 LYS CG C 4.079 -4.923 4.878 1.00 . A A . 62 LYS CG 1 1 21 11660 1 1 18 LYS H H 2.862 -1.876 2.493 1.00 . A A . 62 LYS H 1 1 21 11661 1 1 18 LYS HA H 4.488 -2.279 4.950 1.00 . A A . 62 LYS HA 1 1 21 11662 1 1 18 LYS HB2 H 2.436 -3.620 4.409 1.00 . A A . 62 LYS HB2 1 1 21 11663 1 1 18 LYS HB3 H 3.286 -4.264 3.003 1.00 . A A . 62 LYS HB3 1 1 21 11664 1 1 18 LYS HD2 H 2.374 -4.783 6.171 1.00 . A A . 62 LYS HD2 1 1 21 11665 1 1 18 LYS HD3 H 2.473 -6.293 5.266 1.00 . A A . 62 LYS HD3 1 1 21 11666 1 1 18 LYS HE2 H 4.539 -5.580 7.360 1.00 . A A . 62 LYS HE2 1 1 21 11667 1 1 18 LYS HE3 H 3.043 -6.439 7.775 1.00 . A A . 62 LYS HE3 1 1 21 11668 1 1 18 LYS HG2 H 4.513 -5.690 4.250 1.00 . A A . 62 LYS HG2 1 1 21 11669 1 1 18 LYS HG3 H 4.854 -4.459 5.468 1.00 . A A . 62 LYS HG3 1 1 21 11670 1 1 18 LYS HZ1 H 4.465 -7.375 5.416 1.00 . A A . 62 LYS HZ1 1 1 21 11671 1 1 18 LYS HZ2 H 5.215 -7.691 6.904 1.00 . A A . 62 LYS HZ2 1 1 21 11672 1 1 18 LYS HZ3 H 3.643 -8.261 6.609 1.00 . A A . 62 LYS HZ3 1 1 21 11673 1 1 18 LYS N N 3.469 -1.597 3.211 1.00 . A A . 62 LYS N 1 1 21 11674 1 1 18 LYS NZ N 4.310 -7.482 6.438 1.00 . A A . 62 LYS NZ 1 1 21 11675 1 1 18 LYS O O 5.626 -2.934 1.992 1.00 . A A . 62 LYS O 1 1 21 11676 1 1 19 ASP C C 8.210 -5.029 3.356 1.00 . A A . 63 ASP C 1 1 21 11677 1 1 19 ASP CA C 7.931 -3.525 3.281 1.00 . A A . 63 ASP CA 1 1 21 11678 1 1 19 ASP CB C 8.978 -2.749 4.083 1.00 . A A . 63 ASP CB 1 1 21 11679 1 1 19 ASP CG C 9.082 -3.337 5.492 1.00 . A A . 63 ASP CG 1 1 21 11680 1 1 19 ASP H H 6.560 -3.202 4.910 1.00 . A A . 63 ASP H 1 1 21 11681 1 1 19 ASP HA H 7.933 -3.195 2.256 1.00 . A A . 63 ASP HA 1 1 21 11682 1 1 19 ASP HB2 H 9.937 -2.823 3.590 1.00 . A A . 63 ASP HB2 1 1 21 11683 1 1 19 ASP HB3 H 8.687 -1.713 4.150 1.00 . A A . 63 ASP HB3 1 1 21 11684 1 1 19 ASP N N 6.630 -3.203 3.933 1.00 . A A . 63 ASP N 1 1 21 11685 1 1 19 ASP O O 8.434 -5.579 4.415 1.00 . A A . 63 ASP O 1 1 21 11686 1 1 19 ASP OD1 O 8.291 -2.949 6.335 1.00 . A A . 63 ASP OD1 1 1 21 11687 1 1 19 ASP OD2 O 9.953 -4.166 5.704 1.00 . A A . 63 ASP OD2 1 1 21 11688 1 1 20 GLN C C 9.872 -7.442 1.657 1.00 . A A . 64 GLN C 1 1 21 11689 1 1 20 GLN CA C 8.481 -7.168 2.241 1.00 . A A . 64 GLN CA 1 1 21 11690 1 1 20 GLN CB C 7.391 -7.840 1.380 1.00 . A A . 64 GLN CB 1 1 21 11691 1 1 20 GLN CD C 5.289 -7.527 0.061 1.00 . A A . 64 GLN CD 1 1 21 11692 1 1 20 GLN CG C 6.393 -6.809 0.840 1.00 . A A . 64 GLN CG 1 1 21 11693 1 1 20 GLN H H 8.029 -5.231 1.388 1.00 . A A . 64 GLN H 1 1 21 11694 1 1 20 GLN HA H 8.429 -7.546 3.251 1.00 . A A . 64 GLN HA 1 1 21 11695 1 1 20 GLN HB2 H 7.860 -8.345 0.548 1.00 . A A . 64 GLN HB2 1 1 21 11696 1 1 20 GLN HB3 H 6.862 -8.565 1.982 1.00 . A A . 64 GLN HB3 1 1 21 11697 1 1 20 GLN HE21 H 4.546 -8.427 1.671 1.00 . A A . 64 GLN HE21 1 1 21 11698 1 1 20 GLN HE22 H 3.744 -8.771 0.205 1.00 . A A . 64 GLN HE22 1 1 21 11699 1 1 20 GLN HG2 H 5.955 -6.264 1.667 1.00 . A A . 64 GLN HG2 1 1 21 11700 1 1 20 GLN HG3 H 6.905 -6.124 0.186 1.00 . A A . 64 GLN HG3 1 1 21 11701 1 1 20 GLN N N 8.206 -5.697 2.235 1.00 . A A . 64 GLN N 1 1 21 11702 1 1 20 GLN NE2 N 4.458 -8.306 0.698 1.00 . A A . 64 GLN NE2 1 1 21 11703 1 1 20 GLN O O 10.696 -6.555 1.554 1.00 . A A . 64 GLN O 1 1 21 11704 1 1 20 GLN OE1 O 5.180 -7.377 -1.140 1.00 . A A . 64 GLN OE1 1 1 21 11705 1 1 21 LEU C C 11.451 -8.973 -0.808 1.00 . A A . 65 LEU C 1 1 21 11706 1 1 21 LEU CA C 11.488 -8.988 0.720 1.00 . A A . 65 LEU CA 1 1 21 11707 1 1 21 LEU CB C 11.802 -10.393 1.233 1.00 . A A . 65 LEU CB 1 1 21 11708 1 1 21 LEU CD1 C 13.780 -11.647 2.104 1.00 . A A . 65 LEU CD1 1 1 21 11709 1 1 21 LEU CD2 C 13.467 -11.361 -0.358 1.00 . A A . 65 LEU CD2 1 1 21 11710 1 1 21 LEU CG C 13.284 -10.700 1.010 1.00 . A A . 65 LEU CG 1 1 21 11711 1 1 21 LEU H H 9.470 -9.368 1.382 1.00 . A A . 65 LEU H 1 1 21 11712 1 1 21 LEU HA H 12.221 -8.293 1.082 1.00 . A A . 65 LEU HA 1 1 21 11713 1 1 21 LEU HB2 H 11.576 -10.450 2.287 1.00 . A A . 65 LEU HB2 1 1 21 11714 1 1 21 LEU HB3 H 11.202 -11.113 0.696 1.00 . A A . 65 LEU HB3 1 1 21 11715 1 1 21 LEU HD11 H 13.521 -11.247 3.073 1.00 . A A . 65 LEU HD11 1 1 21 11716 1 1 21 LEU HD12 H 13.316 -12.615 1.978 1.00 . A A . 65 LEU HD12 1 1 21 11717 1 1 21 LEU HD13 H 14.852 -11.751 2.031 1.00 . A A . 65 LEU HD13 1 1 21 11718 1 1 21 LEU HD21 H 12.550 -11.855 -0.645 1.00 . A A . 65 LEU HD21 1 1 21 11719 1 1 21 LEU HD22 H 13.715 -10.608 -1.091 1.00 . A A . 65 LEU HD22 1 1 21 11720 1 1 21 LEU HD23 H 14.265 -12.087 -0.303 1.00 . A A . 65 LEU HD23 1 1 21 11721 1 1 21 LEU HG H 13.851 -9.781 1.047 1.00 . A A . 65 LEU HG 1 1 21 11722 1 1 21 LEU N N 10.144 -8.664 1.284 1.00 . A A . 65 LEU N 1 1 21 11723 1 1 21 LEU O O 12.473 -8.937 -1.465 1.00 . A A . 65 LEU O 1 1 21 11724 1 1 22 GLN C C 9.637 -7.636 -3.340 1.00 . A A . 66 GLN C 1 1 21 11725 1 1 22 GLN CA C 10.176 -8.987 -2.863 1.00 . A A . 66 GLN CA 1 1 21 11726 1 1 22 GLN CB C 9.188 -10.105 -3.197 1.00 . A A . 66 GLN CB 1 1 21 11727 1 1 22 GLN CD C 6.996 -10.887 -2.286 1.00 . A A . 66 GLN CD 1 1 21 11728 1 1 22 GLN CG C 7.774 -9.675 -2.801 1.00 . A A . 66 GLN CG 1 1 21 11729 1 1 22 GLN H H 9.478 -9.028 -0.822 1.00 . A A . 66 GLN H 1 1 21 11730 1 1 22 GLN HA H 11.133 -9.193 -3.313 1.00 . A A . 66 GLN HA 1 1 21 11731 1 1 22 GLN HB2 H 9.219 -10.308 -4.258 1.00 . A A . 66 GLN HB2 1 1 21 11732 1 1 22 GLN HB3 H 9.456 -10.997 -2.652 1.00 . A A . 66 GLN HB3 1 1 21 11733 1 1 22 GLN HE21 H 7.528 -12.050 -3.804 1.00 . A A . 66 GLN HE21 1 1 21 11734 1 1 22 GLN HE22 H 6.522 -12.780 -2.648 1.00 . A A . 66 GLN HE22 1 1 21 11735 1 1 22 GLN HG2 H 7.832 -8.926 -2.023 1.00 . A A . 66 GLN HG2 1 1 21 11736 1 1 22 GLN HG3 H 7.268 -9.263 -3.661 1.00 . A A . 66 GLN HG3 1 1 21 11737 1 1 22 GLN N N 10.284 -9.000 -1.375 1.00 . A A . 66 GLN N 1 1 21 11738 1 1 22 GLN NE2 N 7.016 -11.998 -2.970 1.00 . A A . 66 GLN NE2 1 1 21 11739 1 1 22 GLN O O 9.829 -7.243 -4.473 1.00 . A A . 66 GLN O 1 1 21 11740 1 1 22 GLN OE1 O 6.362 -10.822 -1.251 1.00 . A A . 66 GLN OE1 1 1 21 11741 1 1 23 SER C C 7.715 -4.956 -1.663 1.00 . A A . 67 SER C 1 1 21 11742 1 1 23 SER CA C 8.408 -5.598 -2.871 1.00 . A A . 67 SER CA 1 1 21 11743 1 1 23 SER CB C 7.407 -5.908 -3.983 1.00 . A A . 67 SER CB 1 1 21 11744 1 1 23 SER H H 8.823 -7.263 -1.570 1.00 . A A . 67 SER H 1 1 21 11745 1 1 23 SER HA H 9.191 -4.955 -3.244 1.00 . A A . 67 SER HA 1 1 21 11746 1 1 23 SER HB2 H 7.021 -4.989 -4.389 1.00 . A A . 67 SER HB2 1 1 21 11747 1 1 23 SER HB3 H 7.903 -6.465 -4.767 1.00 . A A . 67 SER HB3 1 1 21 11748 1 1 23 SER HG H 6.683 -7.525 -3.179 1.00 . A A . 67 SER HG 1 1 21 11749 1 1 23 SER N N 8.965 -6.924 -2.478 1.00 . A A . 67 SER N 1 1 21 11750 1 1 23 SER O O 8.316 -4.778 -0.623 1.00 . A A . 67 SER O 1 1 21 11751 1 1 23 SER OG O 6.335 -6.672 -3.449 1.00 . A A . 67 SER OG 1 1 21 11752 1 1 24 TYR C C 4.233 -4.143 -0.804 1.00 . A A . 68 TYR C 1 1 21 11753 1 1 24 TYR CA C 5.746 -4.004 -0.621 1.00 . A A . 68 TYR CA 1 1 21 11754 1 1 24 TYR CB C 6.167 -2.537 -0.615 1.00 . A A . 68 TYR CB 1 1 21 11755 1 1 24 TYR CD1 C 6.950 -1.987 -2.946 1.00 . A A . 68 TYR CD1 1 1 21 11756 1 1 24 TYR CD2 C 4.720 -1.311 -2.274 1.00 . A A . 68 TYR CD2 1 1 21 11757 1 1 24 TYR CE1 C 6.740 -1.422 -4.210 1.00 . A A . 68 TYR CE1 1 1 21 11758 1 1 24 TYR CE2 C 4.510 -0.745 -3.538 1.00 . A A . 68 TYR CE2 1 1 21 11759 1 1 24 TYR CG C 5.940 -1.932 -1.979 1.00 . A A . 68 TYR CG 1 1 21 11760 1 1 24 TYR CZ C 5.520 -0.801 -4.506 1.00 . A A . 68 TYR CZ 1 1 21 11761 1 1 24 TYR H H 5.979 -4.771 -2.617 1.00 . A A . 68 TYR H 1 1 21 11762 1 1 24 TYR HA H 6.053 -4.475 0.298 1.00 . A A . 68 TYR HA 1 1 21 11763 1 1 24 TYR HB2 H 5.581 -1.999 0.119 1.00 . A A . 68 TYR HB2 1 1 21 11764 1 1 24 TYR HB3 H 7.216 -2.471 -0.359 1.00 . A A . 68 TYR HB3 1 1 21 11765 1 1 24 TYR HD1 H 7.890 -2.465 -2.719 1.00 . A A . 68 TYR HD1 1 1 21 11766 1 1 24 TYR HD2 H 3.939 -1.270 -1.527 1.00 . A A . 68 TYR HD2 1 1 21 11767 1 1 24 TYR HE1 H 7.518 -1.465 -4.957 1.00 . A A . 68 TYR HE1 1 1 21 11768 1 1 24 TYR HE2 H 3.570 -0.265 -3.766 1.00 . A A . 68 TYR HE2 1 1 21 11769 1 1 24 TYR HH H 4.521 0.297 -5.707 1.00 . A A . 68 TYR HH 1 1 21 11770 1 1 24 TYR N N 6.458 -4.617 -1.778 1.00 . A A . 68 TYR N 1 1 21 11771 1 1 24 TYR O O 3.723 -4.086 -1.905 1.00 . A A . 68 TYR O 1 1 21 11772 1 1 24 TYR OH O 5.314 -0.243 -5.751 1.00 . A A . 68 TYR OH 1 1 21 11773 1 1 25 ILE C C 1.344 -3.466 1.073 1.00 . A A . 69 ILE C 1 1 21 11774 1 1 25 ILE CA C 2.034 -4.476 0.159 1.00 . A A . 69 ILE CA 1 1 21 11775 1 1 25 ILE CB C 1.745 -5.914 0.599 1.00 . A A . 69 ILE CB 1 1 21 11776 1 1 25 ILE CD1 C 1.339 -8.215 -0.286 1.00 . A A . 69 ILE CD1 1 1 21 11777 1 1 25 ILE CG1 C 1.921 -6.839 -0.606 1.00 . A A . 69 ILE CG1 1 1 21 11778 1 1 25 ILE CG2 C 0.309 -6.027 1.122 1.00 . A A . 69 ILE CG2 1 1 21 11779 1 1 25 ILE H H 3.951 -4.371 1.147 1.00 . A A . 69 ILE H 1 1 21 11780 1 1 25 ILE HA H 1.718 -4.336 -0.863 1.00 . A A . 69 ILE HA 1 1 21 11781 1 1 25 ILE HB H 2.437 -6.199 1.378 1.00 . A A . 69 ILE HB 1 1 21 11782 1 1 25 ILE HD11 H 1.305 -8.351 0.785 1.00 . A A . 69 ILE HD11 1 1 21 11783 1 1 25 ILE HD12 H 0.340 -8.285 -0.690 1.00 . A A . 69 ILE HD12 1 1 21 11784 1 1 25 ILE HD13 H 1.960 -8.981 -0.727 1.00 . A A . 69 ILE HD13 1 1 21 11785 1 1 25 ILE HG12 H 1.406 -6.416 -1.457 1.00 . A A . 69 ILE HG12 1 1 21 11786 1 1 25 ILE HG13 H 2.972 -6.937 -0.834 1.00 . A A . 69 ILE HG13 1 1 21 11787 1 1 25 ILE HG21 H 0.153 -5.304 1.909 1.00 . A A . 69 ILE HG21 1 1 21 11788 1 1 25 ILE HG22 H -0.384 -5.837 0.315 1.00 . A A . 69 ILE HG22 1 1 21 11789 1 1 25 ILE HG23 H 0.144 -7.022 1.509 1.00 . A A . 69 ILE HG23 1 1 21 11790 1 1 25 ILE N N 3.515 -4.328 0.268 1.00 . A A . 69 ILE N 1 1 21 11791 1 1 25 ILE O O 1.555 -3.447 2.267 1.00 . A A . 69 ILE O 1 1 21 11792 1 1 26 CYS C C -1.329 -2.230 2.133 1.00 . A A . 70 CYS C 1 1 21 11793 1 1 26 CYS CA C -0.157 -1.610 1.373 1.00 . A A . 70 CYS CA 1 1 21 11794 1 1 26 CYS CB C -0.662 -0.553 0.398 1.00 . A A . 70 CYS CB 1 1 21 11795 1 1 26 CYS H H 0.365 -2.645 -0.442 1.00 . A A . 70 CYS H 1 1 21 11796 1 1 26 CYS HA H 0.543 -1.168 2.057 1.00 . A A . 70 CYS HA 1 1 21 11797 1 1 26 CYS HB2 H -1.324 -1.013 -0.317 1.00 . A A . 70 CYS HB2 1 1 21 11798 1 1 26 CYS HB3 H -1.194 0.207 0.948 1.00 . A A . 70 CYS HB3 1 1 21 11799 1 1 26 CYS N N 0.524 -2.622 0.524 1.00 . A A . 70 CYS N 1 1 21 11800 1 1 26 CYS O O -2.003 -3.116 1.647 1.00 . A A . 70 CYS O 1 1 21 11801 1 1 26 CYS SG S 0.735 0.200 -0.467 1.00 . A A . 70 CYS SG 1 1 21 11802 1 1 27 PHE C C -3.869 -1.311 4.119 1.00 . A A . 71 PHE C 1 1 21 11803 1 1 27 PHE CA C -2.706 -2.303 4.127 1.00 . A A . 71 PHE CA 1 1 21 11804 1 1 27 PHE CB C -2.146 -2.470 5.539 1.00 . A A . 71 PHE CB 1 1 21 11805 1 1 27 PHE CD1 C -0.286 -3.956 4.712 1.00 . A A . 71 PHE CD1 1 1 21 11806 1 1 27 PHE CD2 C -1.646 -4.715 6.571 1.00 . A A . 71 PHE CD2 1 1 21 11807 1 1 27 PHE CE1 C 0.460 -5.138 4.775 1.00 . A A . 71 PHE CE1 1 1 21 11808 1 1 27 PHE CE2 C -0.900 -5.898 6.634 1.00 . A A . 71 PHE CE2 1 1 21 11809 1 1 27 PHE CG C -1.339 -3.745 5.610 1.00 . A A . 71 PHE CG 1 1 21 11810 1 1 27 PHE CZ C 0.154 -6.109 5.736 1.00 . A A . 71 PHE CZ 1 1 21 11811 1 1 27 PHE H H -1.019 -1.037 3.688 1.00 . A A . 71 PHE H 1 1 21 11812 1 1 27 PHE HA H -3.020 -3.258 3.737 1.00 . A A . 71 PHE HA 1 1 21 11813 1 1 27 PHE HB2 H -1.512 -1.628 5.778 1.00 . A A . 71 PHE HB2 1 1 21 11814 1 1 27 PHE HB3 H -2.962 -2.521 6.247 1.00 . A A . 71 PHE HB3 1 1 21 11815 1 1 27 PHE HD1 H -0.051 -3.206 3.971 1.00 . A A . 71 PHE HD1 1 1 21 11816 1 1 27 PHE HD2 H -2.458 -4.551 7.264 1.00 . A A . 71 PHE HD2 1 1 21 11817 1 1 27 PHE HE1 H 1.272 -5.302 4.082 1.00 . A A . 71 PHE HE1 1 1 21 11818 1 1 27 PHE HE2 H -1.135 -6.647 7.375 1.00 . A A . 71 PHE HE2 1 1 21 11819 1 1 27 PHE HZ H 0.729 -7.022 5.784 1.00 . A A . 71 PHE HZ 1 1 21 11820 1 1 27 PHE N N -1.577 -1.758 3.323 1.00 . A A . 71 PHE N 1 1 21 11821 1 1 27 PHE O O -3.928 -0.399 4.921 1.00 . A A . 71 PHE O 1 1 21 11822 1 1 28 CYS C C -6.878 -0.754 4.338 1.00 . A A . 72 CYS C 1 1 21 11823 1 1 28 CYS CA C -5.946 -0.539 3.142 1.00 . A A . 72 CYS CA 1 1 21 11824 1 1 28 CYS CB C -6.662 -0.886 1.836 1.00 . A A . 72 CYS CB 1 1 21 11825 1 1 28 CYS H H -4.719 -2.216 2.575 1.00 . A A . 72 CYS H 1 1 21 11826 1 1 28 CYS HA H -5.602 0.482 3.113 1.00 . A A . 72 CYS HA 1 1 21 11827 1 1 28 CYS HB2 H -7.188 -1.823 1.952 1.00 . A A . 72 CYS HB2 1 1 21 11828 1 1 28 CYS HB3 H -7.368 -0.103 1.594 1.00 . A A . 72 CYS HB3 1 1 21 11829 1 1 28 CYS N N -4.790 -1.477 3.213 1.00 . A A . 72 CYS N 1 1 21 11830 1 1 28 CYS O O -6.557 -1.467 5.268 1.00 . A A . 72 CYS O 1 1 21 11831 1 1 28 CYS SG S -5.451 -1.039 0.497 1.00 . A A . 72 CYS SG 1 1 21 11832 1 1 29 LEU C C -10.149 -1.206 5.021 1.00 . A A . 73 LEU C 1 1 21 11833 1 1 29 LEU CA C -8.983 -0.310 5.451 1.00 . A A . 73 LEU CA 1 1 21 11834 1 1 29 LEU CB C -9.474 1.106 5.770 1.00 . A A . 73 LEU CB 1 1 21 11835 1 1 29 LEU CD1 C -8.511 3.140 4.673 1.00 . A A . 73 LEU CD1 1 1 21 11836 1 1 29 LEU CD2 C -8.183 2.769 7.121 1.00 . A A . 73 LEU CD2 1 1 21 11837 1 1 29 LEU CG C -8.291 2.081 5.757 1.00 . A A . 73 LEU CG 1 1 21 11838 1 1 29 LEU H H -8.267 0.428 3.557 1.00 . A A . 73 LEU H 1 1 21 11839 1 1 29 LEU HA H -8.481 -0.728 6.309 1.00 . A A . 73 LEU HA 1 1 21 11840 1 1 29 LEU HB2 H -10.200 1.408 5.029 1.00 . A A . 73 LEU HB2 1 1 21 11841 1 1 29 LEU HB3 H -9.933 1.115 6.745 1.00 . A A . 73 LEU HB3 1 1 21 11842 1 1 29 LEU HD11 H -8.601 2.657 3.711 1.00 . A A . 73 LEU HD11 1 1 21 11843 1 1 29 LEU HD12 H -9.415 3.691 4.886 1.00 . A A . 73 LEU HD12 1 1 21 11844 1 1 29 LEU HD13 H -7.672 3.820 4.658 1.00 . A A . 73 LEU HD13 1 1 21 11845 1 1 29 LEU HD21 H -8.027 2.025 7.890 1.00 . A A . 73 LEU HD21 1 1 21 11846 1 1 29 LEU HD22 H -7.349 3.456 7.113 1.00 . A A . 73 LEU HD22 1 1 21 11847 1 1 29 LEU HD23 H -9.093 3.313 7.325 1.00 . A A . 73 LEU HD23 1 1 21 11848 1 1 29 LEU HG H -7.378 1.540 5.551 1.00 . A A . 73 LEU HG 1 1 21 11849 1 1 29 LEU N N -8.029 -0.142 4.318 1.00 . A A . 73 LEU N 1 1 21 11850 1 1 29 LEU O O -10.170 -1.704 3.913 1.00 . A A . 73 LEU O 1 1 21 11851 1 1 30 PRO C C -13.066 -1.653 4.454 1.00 . A A . 74 PRO C 1 1 21 11852 1 1 30 PRO CA C -12.265 -2.236 5.621 1.00 . A A . 74 PRO CA 1 1 21 11853 1 1 30 PRO CB C -13.083 -2.203 6.914 1.00 . A A . 74 PRO CB 1 1 21 11854 1 1 30 PRO CD C -11.132 -0.827 7.268 1.00 . A A . 74 PRO CD 1 1 21 11855 1 1 30 PRO CG C -12.155 -1.678 7.965 1.00 . A A . 74 PRO CG 1 1 21 11856 1 1 30 PRO HA H -11.958 -3.244 5.402 1.00 . A A . 74 PRO HA 1 1 21 11857 1 1 30 PRO HB2 H -13.935 -1.545 6.800 1.00 . A A . 74 PRO HB2 1 1 21 11858 1 1 30 PRO HB3 H -13.409 -3.199 7.174 1.00 . A A . 74 PRO HB3 1 1 21 11859 1 1 30 PRO HD2 H -11.452 0.205 7.247 1.00 . A A . 74 PRO HD2 1 1 21 11860 1 1 30 PRO HD3 H -10.168 -0.920 7.745 1.00 . A A . 74 PRO HD3 1 1 21 11861 1 1 30 PRO HG2 H -12.709 -1.084 8.680 1.00 . A A . 74 PRO HG2 1 1 21 11862 1 1 30 PRO HG3 H -11.666 -2.498 8.468 1.00 . A A . 74 PRO HG3 1 1 21 11863 1 1 30 PRO N N -11.084 -1.384 5.916 1.00 . A A . 74 PRO N 1 1 21 11864 1 1 30 PRO O O -13.949 -2.289 3.914 1.00 . A A . 74 PRO O 1 1 21 11865 1 1 31 ALA C C -12.906 -0.274 1.593 1.00 . A A . 75 ALA C 1 1 21 11866 1 1 31 ALA CA C -13.506 0.177 2.927 1.00 . A A . 75 ALA CA 1 1 21 11867 1 1 31 ALA CB C -13.324 1.683 3.116 1.00 . A A . 75 ALA CB 1 1 21 11868 1 1 31 ALA H H -12.048 0.048 4.509 1.00 . A A . 75 ALA H 1 1 21 11869 1 1 31 ALA HA H -14.552 -0.077 2.976 1.00 . A A . 75 ALA HA 1 1 21 11870 1 1 31 ALA HB1 H -12.304 1.889 3.403 1.00 . A A . 75 ALA HB1 1 1 21 11871 1 1 31 ALA HB2 H -13.547 2.191 2.190 1.00 . A A . 75 ALA HB2 1 1 21 11872 1 1 31 ALA HB3 H -13.993 2.032 3.889 1.00 . A A . 75 ALA HB3 1 1 21 11873 1 1 31 ALA N N -12.763 -0.447 4.060 1.00 . A A . 75 ALA N 1 1 21 11874 1 1 31 ALA O O -13.607 -0.462 0.617 1.00 . A A . 75 ALA O 1 1 21 11875 1 1 32 PHE C C -10.307 -2.257 0.472 1.00 . A A . 76 PHE C 1 1 21 11876 1 1 32 PHE CA C -10.967 -0.889 0.276 1.00 . A A . 76 PHE CA 1 1 21 11877 1 1 32 PHE CB C -9.917 0.181 -0.029 1.00 . A A . 76 PHE CB 1 1 21 11878 1 1 32 PHE CD1 C -10.674 2.055 1.477 1.00 . A A . 76 PHE CD1 1 1 21 11879 1 1 32 PHE CD2 C -10.912 2.320 -0.921 1.00 . A A . 76 PHE CD2 1 1 21 11880 1 1 32 PHE CE1 C -11.230 3.325 1.672 1.00 . A A . 76 PHE CE1 1 1 21 11881 1 1 32 PHE CE2 C -11.468 3.589 -0.726 1.00 . A A . 76 PHE CE2 1 1 21 11882 1 1 32 PHE CG C -10.515 1.552 0.180 1.00 . A A . 76 PHE CG 1 1 21 11883 1 1 32 PHE CZ C -11.627 4.092 0.571 1.00 . A A . 76 PHE CZ 1 1 21 11884 1 1 32 PHE H H -11.071 -0.293 2.339 1.00 . A A . 76 PHE H 1 1 21 11885 1 1 32 PHE HA H -11.692 -0.931 -0.518 1.00 . A A . 76 PHE HA 1 1 21 11886 1 1 32 PHE HB2 H -9.070 0.052 0.633 1.00 . A A . 76 PHE HB2 1 1 21 11887 1 1 32 PHE HB3 H -9.591 0.084 -1.055 1.00 . A A . 76 PHE HB3 1 1 21 11888 1 1 32 PHE HD1 H -10.367 1.463 2.328 1.00 . A A . 76 PHE HD1 1 1 21 11889 1 1 32 PHE HD2 H -10.789 1.932 -1.921 1.00 . A A . 76 PHE HD2 1 1 21 11890 1 1 32 PHE HE1 H -11.352 3.713 2.673 1.00 . A A . 76 PHE HE1 1 1 21 11891 1 1 32 PHE HE2 H -11.774 4.181 -1.576 1.00 . A A . 76 PHE HE2 1 1 21 11892 1 1 32 PHE HZ H -12.055 5.072 0.722 1.00 . A A . 76 PHE HZ 1 1 21 11893 1 1 32 PHE N N -11.615 -0.450 1.544 1.00 . A A . 76 PHE N 1 1 21 11894 1 1 32 PHE O O -10.320 -2.812 1.552 1.00 . A A . 76 PHE O 1 1 21 11895 1 1 33 GLU C C -8.276 -4.472 -1.690 1.00 . A A . 77 GLU C 1 1 21 11896 1 1 33 GLU CA C -9.072 -4.137 -0.426 1.00 . A A . 77 GLU CA 1 1 21 11897 1 1 33 GLU CB C -10.222 -5.127 -0.238 1.00 . A A . 77 GLU CB 1 1 21 11898 1 1 33 GLU CD C -10.761 -7.260 0.947 1.00 . A A . 77 GLU CD 1 1 21 11899 1 1 33 GLU CG C -9.995 -5.939 1.039 1.00 . A A . 77 GLU CG 1 1 21 11900 1 1 33 GLU H H -9.728 -2.343 -1.428 1.00 . A A . 77 GLU H 1 1 21 11901 1 1 33 GLU HA H -8.429 -4.153 0.440 1.00 . A A . 77 GLU HA 1 1 21 11902 1 1 33 GLU HB2 H -11.154 -4.587 -0.162 1.00 . A A . 77 GLU HB2 1 1 21 11903 1 1 33 GLU HB3 H -10.262 -5.797 -1.084 1.00 . A A . 77 GLU HB3 1 1 21 11904 1 1 33 GLU HG2 H -8.940 -6.141 1.154 1.00 . A A . 77 GLU HG2 1 1 21 11905 1 1 33 GLU HG3 H -10.350 -5.378 1.890 1.00 . A A . 77 GLU HG3 1 1 21 11906 1 1 33 GLU N N -9.729 -2.805 -0.563 1.00 . A A . 77 GLU N 1 1 21 11907 1 1 33 GLU O O -8.760 -5.140 -2.581 1.00 . A A . 77 GLU O 1 1 21 11908 1 1 33 GLU OE1 O -10.682 -7.897 -0.090 1.00 . A A . 77 GLU OE1 1 1 21 11909 1 1 33 GLU OE2 O -11.413 -7.612 1.916 1.00 . A A . 77 GLU OE2 1 1 21 11910 1 1 34 GLY C C -4.776 -3.927 -2.703 1.00 . A A . 78 GLY C 1 1 21 11911 1 1 34 GLY CA C -6.232 -4.306 -2.977 1.00 . A A . 78 GLY CA 1 1 21 11912 1 1 34 GLY H H -6.685 -3.477 -1.041 1.00 . A A . 78 GLY H 1 1 21 11913 1 1 34 GLY HA2 H -6.294 -5.360 -3.209 1.00 . A A . 78 GLY HA2 1 1 21 11914 1 1 34 GLY HA3 H -6.598 -3.731 -3.814 1.00 . A A . 78 GLY HA3 1 1 21 11915 1 1 34 GLY N N -7.058 -4.013 -1.773 1.00 . A A . 78 GLY N 1 1 21 11916 1 1 34 GLY O O -4.466 -3.294 -1.714 1.00 . A A . 78 GLY O 1 1 21 11917 1 1 35 ARG C C -2.296 -2.475 -3.052 1.00 . A A . 79 ARG C 1 1 21 11918 1 1 35 ARG CA C -2.443 -3.968 -3.357 1.00 . A A . 79 ARG CA 1 1 21 11919 1 1 35 ARG CB C -1.754 -4.317 -4.676 1.00 . A A . 79 ARG CB 1 1 21 11920 1 1 35 ARG CD C -0.797 -6.617 -4.470 1.00 . A A . 79 ARG CD 1 1 21 11921 1 1 35 ARG CG C -0.483 -5.121 -4.391 1.00 . A A . 79 ARG CG 1 1 21 11922 1 1 35 ARG CZ C 0.029 -7.724 -6.459 1.00 . A A . 79 ARG CZ 1 1 21 11923 1 1 35 ARG H H -4.149 -4.819 -4.362 1.00 . A A . 79 ARG H 1 1 21 11924 1 1 35 ARG HA H -2.030 -4.560 -2.556 1.00 . A A . 79 ARG HA 1 1 21 11925 1 1 35 ARG HB2 H -2.422 -4.905 -5.287 1.00 . A A . 79 ARG HB2 1 1 21 11926 1 1 35 ARG HB3 H -1.493 -3.409 -5.197 1.00 . A A . 79 ARG HB3 1 1 21 11927 1 1 35 ARG HD2 H -0.794 -7.052 -3.479 1.00 . A A . 79 ARG HD2 1 1 21 11928 1 1 35 ARG HD3 H -1.748 -6.777 -4.952 1.00 . A A . 79 ARG HD3 1 1 21 11929 1 1 35 ARG HE H 1.221 -7.179 -4.967 1.00 . A A . 79 ARG HE 1 1 21 11930 1 1 35 ARG HG2 H 0.272 -4.871 -5.121 1.00 . A A . 79 ARG HG2 1 1 21 11931 1 1 35 ARG HG3 H -0.121 -4.882 -3.402 1.00 . A A . 79 ARG HG3 1 1 21 11932 1 1 35 ARG HH11 H -1.115 -9.182 -5.702 1.00 . A A . 79 ARG HH11 1 1 21 11933 1 1 35 ARG HH12 H -0.942 -9.184 -7.425 1.00 . A A . 79 ARG HH12 1 1 21 11934 1 1 35 ARG HH21 H 1.110 -6.389 -7.488 1.00 . A A . 79 ARG HH21 1 1 21 11935 1 1 35 ARG HH22 H 0.318 -7.602 -8.437 1.00 . A A . 79 ARG HH22 1 1 21 11936 1 1 35 ARG N N -3.879 -4.309 -3.571 1.00 . A A . 79 ARG N 1 1 21 11937 1 1 35 ARG NE N 0.298 -7.196 -5.296 1.00 . A A . 79 ARG NE 1 1 21 11938 1 1 35 ARG NH1 N -0.735 -8.779 -6.535 1.00 . A A . 79 ARG NH1 1 1 21 11939 1 1 35 ARG NH2 N 0.524 -7.198 -7.545 1.00 . A A . 79 ARG NH2 1 1 21 11940 1 1 35 ARG O O -1.593 -2.083 -2.143 1.00 . A A . 79 ARG O 1 1 21 11941 1 1 36 ASN C C -4.229 0.395 -3.187 1.00 . A A . 80 ASN C 1 1 21 11942 1 1 36 ASN CA C -2.858 -0.172 -3.563 1.00 . A A . 80 ASN CA 1 1 21 11943 1 1 36 ASN CB C -2.380 0.417 -4.890 1.00 . A A . 80 ASN CB 1 1 21 11944 1 1 36 ASN CG C -1.052 -0.230 -5.288 1.00 . A A . 80 ASN CG 1 1 21 11945 1 1 36 ASN H H -3.519 -1.979 -4.535 1.00 . A A . 80 ASN H 1 1 21 11946 1 1 36 ASN HA H -2.137 0.034 -2.786 1.00 . A A . 80 ASN HA 1 1 21 11947 1 1 36 ASN HB2 H -3.120 0.226 -5.655 1.00 . A A . 80 ASN HB2 1 1 21 11948 1 1 36 ASN HB3 H -2.241 1.483 -4.782 1.00 . A A . 80 ASN HB3 1 1 21 11949 1 1 36 ASN HD21 H -0.208 0.085 -3.516 1.00 . A A . 80 ASN HD21 1 1 21 11950 1 1 36 ASN HD22 H 0.776 -0.701 -4.667 1.00 . A A . 80 ASN HD22 1 1 21 11951 1 1 36 ASN N N -2.957 -1.640 -3.807 1.00 . A A . 80 ASN N 1 1 21 11952 1 1 36 ASN ND2 N -0.081 -0.287 -4.419 1.00 . A A . 80 ASN ND2 1 1 21 11953 1 1 36 ASN O O -4.544 1.530 -3.484 1.00 . A A . 80 ASN O 1 1 21 11954 1 1 36 ASN OD1 O -0.897 -0.688 -6.402 1.00 . A A . 80 ASN OD1 1 1 21 11955 1 1 37 CYS C C -7.194 0.515 -3.391 1.00 . A A . 81 CYS C 1 1 21 11956 1 1 37 CYS CA C -6.400 0.106 -2.147 1.00 . A A . 81 CYS CA 1 1 21 11957 1 1 37 CYS CB C -6.137 1.320 -1.255 1.00 . A A . 81 CYS CB 1 1 21 11958 1 1 37 CYS H H -4.775 -1.301 -2.310 1.00 . A A . 81 CYS H 1 1 21 11959 1 1 37 CYS HA H -6.932 -0.651 -1.592 1.00 . A A . 81 CYS HA 1 1 21 11960 1 1 37 CYS HB2 H -5.724 2.121 -1.848 1.00 . A A . 81 CYS HB2 1 1 21 11961 1 1 37 CYS HB3 H -7.065 1.644 -0.807 1.00 . A A . 81 CYS HB3 1 1 21 11962 1 1 37 CYS N N -5.048 -0.388 -2.538 1.00 . A A . 81 CYS N 1 1 21 11963 1 1 37 CYS O O -8.211 1.172 -3.302 1.00 . A A . 81 CYS O 1 1 21 11964 1 1 37 CYS SG S -4.965 0.867 0.047 1.00 . A A . 81 CYS SG 1 1 21 11965 1 1 38 GLU C C -8.765 -0.303 -5.906 1.00 . A A . 82 GLU C 1 1 21 11966 1 1 38 GLU CA C -7.462 0.497 -5.799 1.00 . A A . 82 GLU CA 1 1 21 11967 1 1 38 GLU CB C -6.500 0.131 -6.934 1.00 . A A . 82 GLU CB 1 1 21 11968 1 1 38 GLU CD C -6.335 -0.514 -9.343 1.00 . A A . 82 GLU CD 1 1 21 11969 1 1 38 GLU CG C -7.277 -0.018 -8.244 1.00 . A A . 82 GLU CG 1 1 21 11970 1 1 38 GLU H H -5.912 -0.400 -4.601 1.00 . A A . 82 GLU H 1 1 21 11971 1 1 38 GLU HA H -7.668 1.556 -5.818 1.00 . A A . 82 GLU HA 1 1 21 11972 1 1 38 GLU HB2 H -5.759 0.913 -7.042 1.00 . A A . 82 GLU HB2 1 1 21 11973 1 1 38 GLU HB3 H -6.008 -0.803 -6.700 1.00 . A A . 82 GLU HB3 1 1 21 11974 1 1 38 GLU HG2 H -8.078 -0.730 -8.106 1.00 . A A . 82 GLU HG2 1 1 21 11975 1 1 38 GLU HG3 H -7.690 0.938 -8.529 1.00 . A A . 82 GLU HG3 1 1 21 11976 1 1 38 GLU N N -6.735 0.130 -4.550 1.00 . A A . 82 GLU N 1 1 21 11977 1 1 38 GLU O O -9.641 0.020 -6.682 1.00 . A A . 82 GLU O 1 1 21 11978 1 1 38 GLU OE1 O -5.673 -1.514 -9.122 1.00 . A A . 82 GLU OE1 1 1 21 11979 1 1 38 GLU OE2 O -6.292 0.117 -10.387 1.00 . A A . 82 GLU OE2 1 1 21 11980 1 1 39 THR C C -11.195 -1.595 -4.236 1.00 . A A . 83 THR C 1 1 21 11981 1 1 39 THR CA C -10.142 -2.164 -5.191 1.00 . A A . 83 THR CA 1 1 21 11982 1 1 39 THR CB C -9.717 -3.564 -4.748 1.00 . A A . 83 THR CB 1 1 21 11983 1 1 39 THR CG2 C -10.957 -4.429 -4.516 1.00 . A A . 83 THR CG2 1 1 21 11984 1 1 39 THR H H -8.179 -1.591 -4.513 1.00 . A A . 83 THR H 1 1 21 11985 1 1 39 THR HA H -10.525 -2.197 -6.199 1.00 . A A . 83 THR HA 1 1 21 11986 1 1 39 THR HB H -9.154 -3.495 -3.829 1.00 . A A . 83 THR HB 1 1 21 11987 1 1 39 THR HG1 H -8.555 -4.976 -5.411 1.00 . A A . 83 THR HG1 1 1 21 11988 1 1 39 THR HG21 H -11.842 -3.866 -4.775 1.00 . A A . 83 THR HG21 1 1 21 11989 1 1 39 THR HG22 H -10.900 -5.313 -5.133 1.00 . A A . 83 THR HG22 1 1 21 11990 1 1 39 THR HG23 H -11.006 -4.718 -3.477 1.00 . A A . 83 THR HG23 1 1 21 11991 1 1 39 THR N N -8.897 -1.346 -5.132 1.00 . A A . 83 THR N 1 1 21 11992 1 1 39 THR O O -11.631 -2.254 -3.314 1.00 . A A . 83 THR O 1 1 21 11993 1 1 39 THR OG1 O -8.907 -4.153 -5.757 1.00 . A A . 83 THR OG1 1 1 21 11994 1 1 40 HIS C C -13.842 -0.691 -3.429 1.00 . A A . 84 HIS C 1 1 21 11995 1 1 40 HIS CA C -12.630 0.236 -3.554 1.00 . A A . 84 HIS CA 1 1 21 11996 1 1 40 HIS CB C -13.023 1.546 -4.236 1.00 . A A . 84 HIS CB 1 1 21 11997 1 1 40 HIS CD2 C -14.769 1.961 -2.316 1.00 . A A . 84 HIS CD2 1 1 21 11998 1 1 40 HIS CE1 C -16.142 3.231 -3.410 1.00 . A A . 84 HIS CE1 1 1 21 11999 1 1 40 HIS CG C -14.260 2.097 -3.585 1.00 . A A . 84 HIS CG 1 1 21 12000 1 1 40 HIS H H -11.241 0.140 -5.199 1.00 . A A . 84 HIS H 1 1 21 12001 1 1 40 HIS HA H -12.208 0.438 -2.582 1.00 . A A . 84 HIS HA 1 1 21 12002 1 1 40 HIS HB2 H -12.217 2.258 -4.139 1.00 . A A . 84 HIS HB2 1 1 21 12003 1 1 40 HIS HB3 H -13.218 1.362 -5.281 1.00 . A A . 84 HIS HB3 1 1 21 12004 1 1 40 HIS HD1 H -15.078 3.202 -5.197 1.00 . A A . 84 HIS HD1 1 1 21 12005 1 1 40 HIS HD2 H -14.315 1.386 -1.523 1.00 . A A . 84 HIS HD2 1 1 21 12006 1 1 40 HIS HE1 H -16.983 3.858 -3.664 1.00 . A A . 84 HIS HE1 1 1 21 12007 1 1 40 HIS N N -11.606 -0.374 -4.450 1.00 . A A . 84 HIS N 1 1 21 12008 1 1 40 HIS ND1 N -15.153 2.912 -4.264 1.00 . A A . 84 HIS ND1 1 1 21 12009 1 1 40 HIS NE2 N -15.956 2.678 -2.208 1.00 . A A . 84 HIS NE2 1 1 21 12010 1 1 40 HIS O O -14.530 -0.961 -4.393 1.00 . A A . 84 HIS O 1 1 21 12011 1 1 41 LYS C C -16.569 -1.381 -2.495 1.00 . A A . 85 LYS C 1 1 21 12012 1 1 41 LYS CA C -15.278 -2.086 -2.064 1.00 . A A . 85 LYS CA 1 1 21 12013 1 1 41 LYS CB C -15.309 -2.393 -0.567 1.00 . A A . 85 LYS CB 1 1 21 12014 1 1 41 LYS CD C -14.036 -3.400 1.333 1.00 . A A . 85 LYS CD 1 1 21 12015 1 1 41 LYS CE C -13.081 -4.549 1.667 1.00 . A A . 85 LYS CE 1 1 21 12016 1 1 41 LYS CG C -14.049 -3.169 -0.180 1.00 . A A . 85 LYS CG 1 1 21 12017 1 1 41 LYS H H -13.542 -0.948 -1.483 1.00 . A A . 85 LYS H 1 1 21 12018 1 1 41 LYS HA H -15.141 -2.996 -2.624 1.00 . A A . 85 LYS HA 1 1 21 12019 1 1 41 LYS HB2 H -15.348 -1.466 -0.010 1.00 . A A . 85 LYS HB2 1 1 21 12020 1 1 41 LYS HB3 H -16.181 -2.990 -0.339 1.00 . A A . 85 LYS HB3 1 1 21 12021 1 1 41 LYS HD2 H -13.705 -2.500 1.832 1.00 . A A . 85 LYS HD2 1 1 21 12022 1 1 41 LYS HD3 H -15.031 -3.653 1.668 1.00 . A A . 85 LYS HD3 1 1 21 12023 1 1 41 LYS HE2 H -13.066 -5.269 0.860 1.00 . A A . 85 LYS HE2 1 1 21 12024 1 1 41 LYS HE3 H -12.088 -4.172 1.856 1.00 . A A . 85 LYS HE3 1 1 21 12025 1 1 41 LYS HG2 H -14.041 -4.121 -0.690 1.00 . A A . 85 LYS HG2 1 1 21 12026 1 1 41 LYS HG3 H -13.175 -2.602 -0.462 1.00 . A A . 85 LYS HG3 1 1 21 12027 1 1 41 LYS HZ1 H -14.633 -5.419 2.748 1.00 . A A . 85 LYS HZ1 1 1 21 12028 1 1 41 LYS HZ2 H -13.096 -6.018 3.141 1.00 . A A . 85 LYS HZ2 1 1 21 12029 1 1 41 LYS HZ3 H -13.573 -4.482 3.688 1.00 . A A . 85 LYS HZ3 1 1 21 12030 1 1 41 LYS N N -14.110 -1.178 -2.248 1.00 . A A . 85 LYS N 1 1 21 12031 1 1 41 LYS NZ N -13.637 -5.164 2.905 1.00 . A A . 85 LYS NZ 1 1 21 12032 1 1 41 LYS O O -16.490 -0.224 -2.872 1.00 . A A . 85 LYS O 1 1 21 12033 1 1 41 LYS OXT O -17.611 -2.012 -2.438 1.00 . A A . 85 LYS OXT 1 1 22 12034 1 1 1 SER C C 11.861 3.582 -7.647 1.00 . A A . 45 SER C 1 1 22 12035 1 1 1 SER CA C 10.536 4.203 -7.198 1.00 . A A . 45 SER CA 1 1 22 12036 1 1 1 SER CB C 10.356 4.049 -5.689 1.00 . A A . 45 SER CB 1 1 22 12037 1 1 1 SER H1 H 9.631 2.456 -7.883 1.00 . A A . 45 SER H1 1 1 22 12038 1 1 1 SER H2 H 8.551 3.570 -7.195 1.00 . A A . 45 SER H2 1 1 22 12039 1 1 1 SER H3 H 9.186 3.852 -8.746 1.00 . A A . 45 SER H3 1 1 22 12040 1 1 1 SER HA H 10.497 5.246 -7.470 1.00 . A A . 45 SER HA 1 1 22 12041 1 1 1 SER HB2 H 9.325 4.221 -5.427 1.00 . A A . 45 SER HB2 1 1 22 12042 1 1 1 SER HB3 H 10.638 3.046 -5.394 1.00 . A A . 45 SER HB3 1 1 22 12043 1 1 1 SER HG H 11.222 5.788 -5.567 1.00 . A A . 45 SER HG 1 1 22 12044 1 1 1 SER N N 9.389 3.464 -7.801 1.00 . A A . 45 SER N 1 1 22 12045 1 1 1 SER O O 11.915 2.835 -8.604 1.00 . A A . 45 SER O 1 1 22 12046 1 1 1 SER OG O 11.172 5.001 -5.020 1.00 . A A . 45 SER OG 1 1 22 12047 1 1 2 ASP C C 15.043 2.910 -6.105 1.00 . A A . 46 ASP C 1 1 22 12048 1 1 2 ASP CA C 14.251 3.309 -7.353 1.00 . A A . 46 ASP CA 1 1 22 12049 1 1 2 ASP CB C 14.965 4.433 -8.105 1.00 . A A . 46 ASP CB 1 1 22 12050 1 1 2 ASP CG C 16.045 3.836 -9.010 1.00 . A A . 46 ASP CG 1 1 22 12051 1 1 2 ASP H H 12.866 4.488 -6.195 1.00 . A A . 46 ASP H 1 1 22 12052 1 1 2 ASP HA H 14.115 2.459 -8.002 1.00 . A A . 46 ASP HA 1 1 22 12053 1 1 2 ASP HB2 H 14.249 4.975 -8.706 1.00 . A A . 46 ASP HB2 1 1 22 12054 1 1 2 ASP HB3 H 15.423 5.106 -7.397 1.00 . A A . 46 ASP HB3 1 1 22 12055 1 1 2 ASP N N 12.931 3.884 -6.964 1.00 . A A . 46 ASP N 1 1 22 12056 1 1 2 ASP O O 15.757 3.706 -5.530 1.00 . A A . 46 ASP O 1 1 22 12057 1 1 2 ASP OD1 O 16.584 2.803 -8.652 1.00 . A A . 46 ASP OD1 1 1 22 12058 1 1 2 ASP OD2 O 16.313 4.424 -10.045 1.00 . A A . 46 ASP OD2 1 1 22 12059 1 1 3 GLY C C 14.843 1.529 -3.222 1.00 . A A . 47 GLY C 1 1 22 12060 1 1 3 GLY CA C 15.669 1.231 -4.473 1.00 . A A . 47 GLY CA 1 1 22 12061 1 1 3 GLY H H 14.342 1.053 -6.161 1.00 . A A . 47 GLY H 1 1 22 12062 1 1 3 GLY HA2 H 15.854 0.168 -4.540 1.00 . A A . 47 GLY HA2 1 1 22 12063 1 1 3 GLY HA3 H 16.609 1.758 -4.414 1.00 . A A . 47 GLY HA3 1 1 22 12064 1 1 3 GLY N N 14.923 1.680 -5.683 1.00 . A A . 47 GLY N 1 1 22 12065 1 1 3 GLY O O 15.328 2.113 -2.273 1.00 . A A . 47 GLY O 1 1 22 12066 1 1 4 ASP C C 11.268 1.160 -2.419 1.00 . A A . 48 ASP C 1 1 22 12067 1 1 4 ASP CA C 12.727 1.373 -2.029 1.00 . A A . 48 ASP CA 1 1 22 12068 1 1 4 ASP CB C 12.948 2.826 -1.626 1.00 . A A . 48 ASP CB 1 1 22 12069 1 1 4 ASP CG C 13.813 2.887 -0.365 1.00 . A A . 48 ASP CG 1 1 22 12070 1 1 4 ASP H H 13.233 0.652 -3.983 1.00 . A A . 48 ASP H 1 1 22 12071 1 1 4 ASP HA H 13.001 0.718 -1.216 1.00 . A A . 48 ASP HA 1 1 22 12072 1 1 4 ASP HB2 H 13.438 3.354 -2.430 1.00 . A A . 48 ASP HB2 1 1 22 12073 1 1 4 ASP HB3 H 11.991 3.281 -1.423 1.00 . A A . 48 ASP HB3 1 1 22 12074 1 1 4 ASP N N 13.599 1.127 -3.211 1.00 . A A . 48 ASP N 1 1 22 12075 1 1 4 ASP O O 10.762 1.763 -3.345 1.00 . A A . 48 ASP O 1 1 22 12076 1 1 4 ASP OD1 O 13.618 2.055 0.504 1.00 . A A . 48 ASP OD1 1 1 22 12077 1 1 4 ASP OD2 O 14.658 3.765 -0.292 1.00 . A A . 48 ASP OD2 1 1 22 12078 1 1 5 GLN C C 8.298 1.227 -1.602 1.00 . A A . 49 GLN C 1 1 22 12079 1 1 5 GLN CA C 9.162 0.038 -2.031 1.00 . A A . 49 GLN CA 1 1 22 12080 1 1 5 GLN CB C 8.790 -1.209 -1.229 1.00 . A A . 49 GLN CB 1 1 22 12081 1 1 5 GLN CD C 10.543 -2.334 0.157 1.00 . A A . 49 GLN CD 1 1 22 12082 1 1 5 GLN CG C 9.948 -2.213 -1.247 1.00 . A A . 49 GLN CG 1 1 22 12083 1 1 5 GLN H H 11.037 -0.157 -0.984 1.00 . A A . 49 GLN H 1 1 22 12084 1 1 5 GLN HA H 9.037 -0.155 -3.080 1.00 . A A . 49 GLN HA 1 1 22 12085 1 1 5 GLN HB2 H 8.572 -0.926 -0.213 1.00 . A A . 49 GLN HB2 1 1 22 12086 1 1 5 GLN HB3 H 7.916 -1.667 -1.668 1.00 . A A . 49 GLN HB3 1 1 22 12087 1 1 5 GLN HE21 H 10.160 -0.443 0.639 1.00 . A A . 49 GLN HE21 1 1 22 12088 1 1 5 GLN HE22 H 10.923 -1.367 1.852 1.00 . A A . 49 GLN HE22 1 1 22 12089 1 1 5 GLN HG2 H 9.582 -3.177 -1.568 1.00 . A A . 49 GLN HG2 1 1 22 12090 1 1 5 GLN HG3 H 10.711 -1.871 -1.930 1.00 . A A . 49 GLN HG3 1 1 22 12091 1 1 5 GLN N N 10.596 0.308 -1.718 1.00 . A A . 49 GLN N 1 1 22 12092 1 1 5 GLN NE2 N 10.542 -1.296 0.948 1.00 . A A . 49 GLN NE2 1 1 22 12093 1 1 5 GLN O O 7.716 1.911 -2.420 1.00 . A A . 49 GLN O 1 1 22 12094 1 1 5 GLN OE1 O 11.013 -3.387 0.541 1.00 . A A . 49 GLN OE1 1 1 22 12095 1 1 6 CYS C C 8.177 3.927 0.042 1.00 . A A . 50 CYS C 1 1 22 12096 1 1 6 CYS CA C 7.385 2.622 0.157 1.00 . A A . 50 CYS CA 1 1 22 12097 1 1 6 CYS CB C 7.083 2.304 1.622 1.00 . A A . 50 CYS CB 1 1 22 12098 1 1 6 CYS H H 8.688 0.912 0.319 1.00 . A A . 50 CYS H 1 1 22 12099 1 1 6 CYS HA H 6.467 2.687 -0.404 1.00 . A A . 50 CYS HA 1 1 22 12100 1 1 6 CYS HB2 H 6.968 1.238 1.743 1.00 . A A . 50 CYS HB2 1 1 22 12101 1 1 6 CYS HB3 H 7.897 2.652 2.241 1.00 . A A . 50 CYS HB3 1 1 22 12102 1 1 6 CYS N N 8.211 1.477 -0.325 1.00 . A A . 50 CYS N 1 1 22 12103 1 1 6 CYS O O 9.004 4.239 0.876 1.00 . A A . 50 CYS O 1 1 22 12104 1 1 6 CYS SG S 5.552 3.135 2.115 1.00 . A A . 50 CYS SG 1 1 22 12105 1 1 7 ALA C C 7.870 7.132 -0.546 1.00 . A A . 51 ALA C 1 1 22 12106 1 1 7 ALA CA C 8.670 5.977 -1.155 1.00 . A A . 51 ALA CA 1 1 22 12107 1 1 7 ALA CB C 8.808 6.158 -2.666 1.00 . A A . 51 ALA CB 1 1 22 12108 1 1 7 ALA H H 7.261 4.423 -1.648 1.00 . A A . 51 ALA H 1 1 22 12109 1 1 7 ALA HA H 9.646 5.913 -0.700 1.00 . A A . 51 ALA HA 1 1 22 12110 1 1 7 ALA HB1 H 8.268 5.373 -3.174 1.00 . A A . 51 ALA HB1 1 1 22 12111 1 1 7 ALA HB2 H 8.402 7.117 -2.953 1.00 . A A . 51 ALA HB2 1 1 22 12112 1 1 7 ALA HB3 H 9.851 6.112 -2.940 1.00 . A A . 51 ALA HB3 1 1 22 12113 1 1 7 ALA N N 7.930 4.693 -0.986 1.00 . A A . 51 ALA N 1 1 22 12114 1 1 7 ALA O O 8.231 7.678 0.478 1.00 . A A . 51 ALA O 1 1 22 12115 1 1 8 SER C C 4.530 8.164 -0.381 1.00 . A A . 52 SER C 1 1 22 12116 1 1 8 SER CA C 5.967 8.631 -0.627 1.00 . A A . 52 SER CA 1 1 22 12117 1 1 8 SER CB C 6.002 9.708 -1.709 1.00 . A A . 52 SER CB 1 1 22 12118 1 1 8 SER H H 6.514 7.057 -1.995 1.00 . A A . 52 SER H 1 1 22 12119 1 1 8 SER HA H 6.402 9.010 0.285 1.00 . A A . 52 SER HA 1 1 22 12120 1 1 8 SER HB2 H 6.338 9.277 -2.638 1.00 . A A . 52 SER HB2 1 1 22 12121 1 1 8 SER HB3 H 5.009 10.116 -1.842 1.00 . A A . 52 SER HB3 1 1 22 12122 1 1 8 SER HG H 6.410 11.382 -0.806 1.00 . A A . 52 SER HG 1 1 22 12123 1 1 8 SER N N 6.788 7.510 -1.170 1.00 . A A . 52 SER N 1 1 22 12124 1 1 8 SER O O 3.587 8.728 -0.898 1.00 . A A . 52 SER O 1 1 22 12125 1 1 8 SER OG O 6.902 10.736 -1.320 1.00 . A A . 52 SER OG 1 1 22 12126 1 1 9 SER C C 2.344 6.093 -0.599 1.00 . A A . 53 SER C 1 1 22 12127 1 1 9 SER CA C 2.980 6.636 0.684 1.00 . A A . 53 SER CA 1 1 22 12128 1 1 9 SER CB C 2.210 7.855 1.189 1.00 . A A . 53 SER CB 1 1 22 12129 1 1 9 SER H H 5.131 6.696 0.815 1.00 . A A . 53 SER H 1 1 22 12130 1 1 9 SER HA H 3.003 5.873 1.446 1.00 . A A . 53 SER HA 1 1 22 12131 1 1 9 SER HB2 H 2.891 8.676 1.343 1.00 . A A . 53 SER HB2 1 1 22 12132 1 1 9 SER HB3 H 1.468 8.140 0.454 1.00 . A A . 53 SER HB3 1 1 22 12133 1 1 9 SER HG H 1.087 6.719 2.300 1.00 . A A . 53 SER HG 1 1 22 12134 1 1 9 SER N N 4.356 7.137 0.406 1.00 . A A . 53 SER N 1 1 22 12135 1 1 9 SER O O 1.516 6.744 -1.205 1.00 . A A . 53 SER O 1 1 22 12136 1 1 9 SER OG O 1.579 7.535 2.421 1.00 . A A . 53 SER OG 1 1 22 12137 1 1 10 PRO C C 0.802 3.760 -1.952 1.00 . A A . 54 PRO C 1 1 22 12138 1 1 10 PRO CA C 2.226 4.268 -2.194 1.00 . A A . 54 PRO CA 1 1 22 12139 1 1 10 PRO CB C 3.179 3.101 -2.432 1.00 . A A . 54 PRO CB 1 1 22 12140 1 1 10 PRO CD C 3.752 4.076 -0.289 1.00 . A A . 54 PRO CD 1 1 22 12141 1 1 10 PRO CG C 3.781 2.802 -1.095 1.00 . A A . 54 PRO CG 1 1 22 12142 1 1 10 PRO HA H 2.256 4.948 -3.030 1.00 . A A . 54 PRO HA 1 1 22 12143 1 1 10 PRO HB2 H 2.633 2.242 -2.801 1.00 . A A . 54 PRO HB2 1 1 22 12144 1 1 10 PRO HB3 H 3.953 3.384 -3.130 1.00 . A A . 54 PRO HB3 1 1 22 12145 1 1 10 PRO HD2 H 3.447 3.872 0.729 1.00 . A A . 54 PRO HD2 1 1 22 12146 1 1 10 PRO HD3 H 4.718 4.558 -0.307 1.00 . A A . 54 PRO HD3 1 1 22 12147 1 1 10 PRO HG2 H 3.203 2.036 -0.595 1.00 . A A . 54 PRO HG2 1 1 22 12148 1 1 10 PRO HG3 H 4.801 2.472 -1.216 1.00 . A A . 54 PRO HG3 1 1 22 12149 1 1 10 PRO N N 2.759 4.912 -0.970 1.00 . A A . 54 PRO N 1 1 22 12150 1 1 10 PRO O O 0.178 3.193 -2.825 1.00 . A A . 54 PRO O 1 1 22 12151 1 1 11 CYS C C -2.111 4.572 -0.784 1.00 . A A . 55 CYS C 1 1 22 12152 1 1 11 CYS CA C -1.092 3.475 -0.466 1.00 . A A . 55 CYS CA 1 1 22 12153 1 1 11 CYS CB C -1.098 3.164 1.036 1.00 . A A . 55 CYS CB 1 1 22 12154 1 1 11 CYS H H 0.812 4.409 -0.076 1.00 . A A . 55 CYS H 1 1 22 12155 1 1 11 CYS HA H -1.312 2.582 -1.027 1.00 . A A . 55 CYS HA 1 1 22 12156 1 1 11 CYS HB2 H -1.205 4.085 1.591 1.00 . A A . 55 CYS HB2 1 1 22 12157 1 1 11 CYS HB3 H -1.928 2.510 1.262 1.00 . A A . 55 CYS HB3 1 1 22 12158 1 1 11 CYS N N 0.288 3.954 -0.769 1.00 . A A . 55 CYS N 1 1 22 12159 1 1 11 CYS O O -1.774 5.736 -0.881 1.00 . A A . 55 CYS O 1 1 22 12160 1 1 11 CYS SG S 0.453 2.356 1.513 1.00 . A A . 55 CYS SG 1 1 22 12161 1 1 12 GLN C C -5.581 5.083 -0.302 1.00 . A A . 56 GLN C 1 1 22 12162 1 1 12 GLN CA C -4.392 5.232 -1.255 1.00 . A A . 56 GLN CA 1 1 22 12163 1 1 12 GLN CB C -4.816 4.943 -2.694 1.00 . A A . 56 GLN CB 1 1 22 12164 1 1 12 GLN CD C -3.779 4.344 -4.886 1.00 . A A . 56 GLN CD 1 1 22 12165 1 1 12 GLN CG C -3.632 5.197 -3.627 1.00 . A A . 56 GLN CG 1 1 22 12166 1 1 12 GLN H H -3.604 3.271 -0.863 1.00 . A A . 56 GLN H 1 1 22 12167 1 1 12 GLN HA H -3.975 6.221 -1.186 1.00 . A A . 56 GLN HA 1 1 22 12168 1 1 12 GLN HB2 H -5.128 3.913 -2.778 1.00 . A A . 56 GLN HB2 1 1 22 12169 1 1 12 GLN HB3 H -5.633 5.593 -2.967 1.00 . A A . 56 GLN HB3 1 1 22 12170 1 1 12 GLN HE21 H -1.823 4.269 -5.223 1.00 . A A . 56 GLN HE21 1 1 22 12171 1 1 12 GLN HE22 H -2.793 3.439 -6.356 1.00 . A A . 56 GLN HE22 1 1 22 12172 1 1 12 GLN HG2 H -3.606 6.243 -3.899 1.00 . A A . 56 GLN HG2 1 1 22 12173 1 1 12 GLN HG3 H -2.715 4.933 -3.121 1.00 . A A . 56 GLN HG3 1 1 22 12174 1 1 12 GLN N N -3.354 4.212 -0.946 1.00 . A A . 56 GLN N 1 1 22 12175 1 1 12 GLN NE2 N -2.710 3.988 -5.543 1.00 . A A . 56 GLN NE2 1 1 22 12176 1 1 12 GLN O O -5.569 4.268 0.599 1.00 . A A . 56 GLN O 1 1 22 12177 1 1 12 GLN OE1 O -4.877 3.999 -5.277 1.00 . A A . 56 GLN OE1 1 1 22 12178 1 1 13 ASN C C -7.348 5.663 1.864 1.00 . A A . 57 ASN C 1 1 22 12179 1 1 13 ASN CA C -7.796 5.768 0.404 1.00 . A A . 57 ASN CA 1 1 22 12180 1 1 13 ASN CB C -8.516 4.491 -0.031 1.00 . A A . 57 ASN CB 1 1 22 12181 1 1 13 ASN CG C -9.099 4.686 -1.432 1.00 . A A . 57 ASN CG 1 1 22 12182 1 1 13 ASN H H -6.598 6.518 -1.224 1.00 . A A . 57 ASN H 1 1 22 12183 1 1 13 ASN HA H -8.441 6.620 0.268 1.00 . A A . 57 ASN HA 1 1 22 12184 1 1 13 ASN HB2 H -7.815 3.669 -0.041 1.00 . A A . 57 ASN HB2 1 1 22 12185 1 1 13 ASN HB3 H -9.315 4.276 0.662 1.00 . A A . 57 ASN HB3 1 1 22 12186 1 1 13 ASN HD21 H -7.864 3.376 -2.277 1.00 . A A . 57 ASN HD21 1 1 22 12187 1 1 13 ASN HD22 H -8.973 4.125 -3.335 1.00 . A A . 57 ASN HD22 1 1 22 12188 1 1 13 ASN N N -6.607 5.866 -0.493 1.00 . A A . 57 ASN N 1 1 22 12189 1 1 13 ASN ND2 N -8.605 4.005 -2.431 1.00 . A A . 57 ASN ND2 1 1 22 12190 1 1 13 ASN O O -7.894 4.900 2.637 1.00 . A A . 57 ASN O 1 1 22 12191 1 1 13 ASN OD1 O -10.012 5.464 -1.620 1.00 . A A . 57 ASN OD1 1 1 22 12192 1 1 14 GLY C C -5.515 4.931 4.023 1.00 . A A . 58 GLY C 1 1 22 12193 1 1 14 GLY CA C -5.881 6.371 3.657 1.00 . A A . 58 GLY CA 1 1 22 12194 1 1 14 GLY H H -5.937 7.034 1.607 1.00 . A A . 58 GLY H 1 1 22 12195 1 1 14 GLY HA2 H -5.010 7.002 3.763 1.00 . A A . 58 GLY HA2 1 1 22 12196 1 1 14 GLY HA3 H -6.660 6.719 4.317 1.00 . A A . 58 GLY HA3 1 1 22 12197 1 1 14 GLY N N -6.362 6.425 2.247 1.00 . A A . 58 GLY N 1 1 22 12198 1 1 14 GLY O O -5.994 4.389 4.999 1.00 . A A . 58 GLY O 1 1 22 12199 1 1 15 GLY C C -2.851 2.888 4.121 1.00 . A A . 59 GLY C 1 1 22 12200 1 1 15 GLY CA C -4.273 2.904 3.557 1.00 . A A . 59 GLY CA 1 1 22 12201 1 1 15 GLY H H -4.293 4.763 2.467 1.00 . A A . 59 GLY H 1 1 22 12202 1 1 15 GLY HA2 H -4.957 2.490 4.286 1.00 . A A . 59 GLY HA2 1 1 22 12203 1 1 15 GLY HA3 H -4.305 2.313 2.653 1.00 . A A . 59 GLY HA3 1 1 22 12204 1 1 15 GLY N N -4.669 4.308 3.249 1.00 . A A . 59 GLY N 1 1 22 12205 1 1 15 GLY O O -2.057 3.766 3.852 1.00 . A A . 59 GLY O 1 1 22 12206 1 1 16 SER C C -0.164 1.275 4.455 1.00 . A A . 60 SER C 1 1 22 12207 1 1 16 SER CA C -1.151 1.829 5.488 1.00 . A A . 60 SER CA 1 1 22 12208 1 1 16 SER CB C -1.273 0.877 6.677 1.00 . A A . 60 SER CB 1 1 22 12209 1 1 16 SER H H -3.179 1.199 5.112 1.00 . A A . 60 SER H 1 1 22 12210 1 1 16 SER HA H -0.836 2.803 5.826 1.00 . A A . 60 SER HA 1 1 22 12211 1 1 16 SER HB2 H -1.599 -0.091 6.334 1.00 . A A . 60 SER HB2 1 1 22 12212 1 1 16 SER HB3 H -0.309 0.779 7.159 1.00 . A A . 60 SER HB3 1 1 22 12213 1 1 16 SER HG H -2.868 0.702 7.777 1.00 . A A . 60 SER HG 1 1 22 12214 1 1 16 SER N N -2.523 1.897 4.906 1.00 . A A . 60 SER N 1 1 22 12215 1 1 16 SER O O -0.555 0.705 3.456 1.00 . A A . 60 SER O 1 1 22 12216 1 1 16 SER OG O -2.227 1.394 7.596 1.00 . A A . 60 SER OG 1 1 22 12217 1 1 17 CYS C C 2.975 -0.169 4.375 1.00 . A A . 61 CYS C 1 1 22 12218 1 1 17 CYS CA C 2.122 0.922 3.721 1.00 . A A . 61 CYS CA 1 1 22 12219 1 1 17 CYS CB C 2.989 2.132 3.367 1.00 . A A . 61 CYS CB 1 1 22 12220 1 1 17 CYS H H 1.403 1.902 5.502 1.00 . A A . 61 CYS H 1 1 22 12221 1 1 17 CYS HA H 1.637 0.543 2.834 1.00 . A A . 61 CYS HA 1 1 22 12222 1 1 17 CYS HB2 H 2.360 2.939 3.022 1.00 . A A . 61 CYS HB2 1 1 22 12223 1 1 17 CYS HB3 H 3.534 2.451 4.242 1.00 . A A . 61 CYS HB3 1 1 22 12224 1 1 17 CYS N N 1.110 1.439 4.690 1.00 . A A . 61 CYS N 1 1 22 12225 1 1 17 CYS O O 3.701 0.081 5.316 1.00 . A A . 61 CYS O 1 1 22 12226 1 1 17 CYS SG S 4.156 1.676 2.062 1.00 . A A . 61 CYS SG 1 1 22 12227 1 1 18 LYS C C 5.004 -2.672 3.687 1.00 . A A . 62 LYS C 1 1 22 12228 1 1 18 LYS CA C 3.714 -2.474 4.484 1.00 . A A . 62 LYS CA 1 1 22 12229 1 1 18 LYS CB C 2.844 -3.726 4.397 1.00 . A A . 62 LYS CB 1 1 22 12230 1 1 18 LYS CD C 2.349 -5.219 6.338 1.00 . A A . 62 LYS CD 1 1 22 12231 1 1 18 LYS CE C 2.991 -6.085 7.424 1.00 . A A . 62 LYS CE 1 1 22 12232 1 1 18 LYS CG C 3.412 -4.805 5.319 1.00 . A A . 62 LYS CG 1 1 22 12233 1 1 18 LYS H H 2.308 -1.561 3.122 1.00 . A A . 62 LYS H 1 1 22 12234 1 1 18 LYS HA H 3.939 -2.254 5.516 1.00 . A A . 62 LYS HA 1 1 22 12235 1 1 18 LYS HB2 H 1.834 -3.487 4.698 1.00 . A A . 62 LYS HB2 1 1 22 12236 1 1 18 LYS HB3 H 2.842 -4.092 3.381 1.00 . A A . 62 LYS HB3 1 1 22 12237 1 1 18 LYS HD2 H 1.921 -4.335 6.787 1.00 . A A . 62 LYS HD2 1 1 22 12238 1 1 18 LYS HD3 H 1.575 -5.784 5.841 1.00 . A A . 62 LYS HD3 1 1 22 12239 1 1 18 LYS HE2 H 2.660 -7.110 7.332 1.00 . A A . 62 LYS HE2 1 1 22 12240 1 1 18 LYS HE3 H 4.067 -6.028 7.364 1.00 . A A . 62 LYS HE3 1 1 22 12241 1 1 18 LYS HG2 H 3.703 -5.665 4.731 1.00 . A A . 62 LYS HG2 1 1 22 12242 1 1 18 LYS HG3 H 4.275 -4.417 5.840 1.00 . A A . 62 LYS HG3 1 1 22 12243 1 1 18 LYS HZ1 H 2.553 -4.462 8.651 1.00 . A A . 62 LYS HZ1 1 1 22 12244 1 1 18 LYS HZ2 H 1.543 -5.806 8.893 1.00 . A A . 62 LYS HZ2 1 1 22 12245 1 1 18 LYS HZ3 H 3.136 -5.819 9.484 1.00 . A A . 62 LYS HZ3 1 1 22 12246 1 1 18 LYS N N 2.898 -1.376 3.884 1.00 . A A . 62 LYS N 1 1 22 12247 1 1 18 LYS NZ N 2.521 -5.498 8.710 1.00 . A A . 62 LYS NZ 1 1 22 12248 1 1 18 LYS O O 5.012 -2.611 2.474 1.00 . A A . 62 LYS O 1 1 22 12249 1 1 19 ASP C C 7.880 -4.557 3.862 1.00 . A A . 63 ASP C 1 1 22 12250 1 1 19 ASP CA C 7.385 -3.125 3.647 1.00 . A A . 63 ASP CA 1 1 22 12251 1 1 19 ASP CB C 8.354 -2.122 4.274 1.00 . A A . 63 ASP CB 1 1 22 12252 1 1 19 ASP CG C 7.673 -0.756 4.386 1.00 . A A . 63 ASP CG 1 1 22 12253 1 1 19 ASP H H 6.061 -2.968 5.340 1.00 . A A . 63 ASP H 1 1 22 12254 1 1 19 ASP HA H 7.271 -2.919 2.594 1.00 . A A . 63 ASP HA 1 1 22 12255 1 1 19 ASP HB2 H 8.638 -2.465 5.259 1.00 . A A . 63 ASP HB2 1 1 22 12256 1 1 19 ASP HB3 H 9.233 -2.034 3.655 1.00 . A A . 63 ASP HB3 1 1 22 12257 1 1 19 ASP N N 6.094 -2.917 4.362 1.00 . A A . 63 ASP N 1 1 22 12258 1 1 19 ASP O O 8.220 -4.948 4.961 1.00 . A A . 63 ASP O 1 1 22 12259 1 1 19 ASP OD1 O 7.404 -0.165 3.354 1.00 . A A . 63 ASP OD1 1 1 22 12260 1 1 19 ASP OD2 O 7.434 -0.326 5.502 1.00 . A A . 63 ASP OD2 1 1 22 12261 1 1 20 GLN C C 9.741 -6.943 2.268 1.00 . A A . 64 GLN C 1 1 22 12262 1 1 20 GLN CA C 8.394 -6.756 2.973 1.00 . A A . 64 GLN CA 1 1 22 12263 1 1 20 GLN CB C 7.325 -7.663 2.327 1.00 . A A . 64 GLN CB 1 1 22 12264 1 1 20 GLN CD C 5.120 -7.783 1.149 1.00 . A A . 64 GLN CD 1 1 22 12265 1 1 20 GLN CG C 6.157 -6.841 1.763 1.00 . A A . 64 GLN CG 1 1 22 12266 1 1 20 GLN H H 7.641 -5.009 1.943 1.00 . A A . 64 GLN H 1 1 22 12267 1 1 20 GLN HA H 8.491 -6.999 4.019 1.00 . A A . 64 GLN HA 1 1 22 12268 1 1 20 GLN HB2 H 7.778 -8.227 1.526 1.00 . A A . 64 GLN HB2 1 1 22 12269 1 1 20 GLN HB3 H 6.948 -8.348 3.073 1.00 . A A . 64 GLN HB3 1 1 22 12270 1 1 20 GLN HE21 H 4.492 -8.463 2.909 1.00 . A A . 64 GLN HE21 1 1 22 12271 1 1 20 GLN HE22 H 3.711 -9.129 1.545 1.00 . A A . 64 GLN HE22 1 1 22 12272 1 1 20 GLN HG2 H 5.699 -6.271 2.559 1.00 . A A . 64 GLN HG2 1 1 22 12273 1 1 20 GLN HG3 H 6.524 -6.169 1.002 1.00 . A A . 64 GLN HG3 1 1 22 12274 1 1 20 GLN N N 7.922 -5.344 2.821 1.00 . A A . 64 GLN N 1 1 22 12275 1 1 20 GLN NE2 N 4.380 -8.519 1.933 1.00 . A A . 64 GLN NE2 1 1 22 12276 1 1 20 GLN O O 10.080 -8.027 1.841 1.00 . A A . 64 GLN O 1 1 22 12277 1 1 20 GLN OE1 O 4.983 -7.853 -0.056 1.00 . A A . 64 GLN OE1 1 1 22 12278 1 1 21 LEU C C 11.677 -6.253 -0.005 1.00 . A A . 65 LEU C 1 1 22 12279 1 1 21 LEU CA C 11.843 -5.986 1.488 1.00 . A A . 65 LEU CA 1 1 22 12280 1 1 21 LEU CB C 12.561 -7.152 2.173 1.00 . A A . 65 LEU CB 1 1 22 12281 1 1 21 LEU CD1 C 13.256 -6.108 4.335 1.00 . A A . 65 LEU CD1 1 1 22 12282 1 1 21 LEU CD2 C 14.765 -7.738 3.191 1.00 . A A . 65 LEU CD2 1 1 22 12283 1 1 21 LEU CG C 13.747 -6.616 2.977 1.00 . A A . 65 LEU CG 1 1 22 12284 1 1 21 LEU H H 10.210 -5.038 2.512 1.00 . A A . 65 LEU H 1 1 22 12285 1 1 21 LEU HA H 12.397 -5.082 1.637 1.00 . A A . 65 LEU HA 1 1 22 12286 1 1 21 LEU HB2 H 11.878 -7.660 2.838 1.00 . A A . 65 LEU HB2 1 1 22 12287 1 1 21 LEU HB3 H 12.920 -7.844 1.428 1.00 . A A . 65 LEU HB3 1 1 22 12288 1 1 21 LEU HD11 H 12.471 -5.383 4.185 1.00 . A A . 65 LEU HD11 1 1 22 12289 1 1 21 LEU HD12 H 12.876 -6.938 4.912 1.00 . A A . 65 LEU HD12 1 1 22 12290 1 1 21 LEU HD13 H 14.077 -5.646 4.864 1.00 . A A . 65 LEU HD13 1 1 22 12291 1 1 21 LEU HD21 H 14.293 -8.692 3.008 1.00 . A A . 65 LEU HD21 1 1 22 12292 1 1 21 LEU HD22 H 15.591 -7.609 2.507 1.00 . A A . 65 LEU HD22 1 1 22 12293 1 1 21 LEU HD23 H 15.129 -7.706 4.207 1.00 . A A . 65 LEU HD23 1 1 22 12294 1 1 21 LEU HG H 14.211 -5.804 2.435 1.00 . A A . 65 LEU HG 1 1 22 12295 1 1 21 LEU N N 10.509 -5.892 2.155 1.00 . A A . 65 LEU N 1 1 22 12296 1 1 21 LEU O O 11.718 -5.355 -0.822 1.00 . A A . 65 LEU O 1 1 22 12297 1 1 22 GLN C C 10.232 -6.979 -2.430 1.00 . A A . 66 GLN C 1 1 22 12298 1 1 22 GLN CA C 11.329 -7.839 -1.798 1.00 . A A . 66 GLN CA 1 1 22 12299 1 1 22 GLN CB C 10.929 -9.316 -1.805 1.00 . A A . 66 GLN CB 1 1 22 12300 1 1 22 GLN CD C 8.437 -9.456 -1.645 1.00 . A A . 66 GLN CD 1 1 22 12301 1 1 22 GLN CG C 9.748 -9.539 -0.859 1.00 . A A . 66 GLN CG 1 1 22 12302 1 1 22 GLN H H 11.471 -8.175 0.328 1.00 . A A . 66 GLN H 1 1 22 12303 1 1 22 GLN HA H 12.258 -7.707 -2.327 1.00 . A A . 66 GLN HA 1 1 22 12304 1 1 22 GLN HB2 H 10.648 -9.606 -2.808 1.00 . A A . 66 GLN HB2 1 1 22 12305 1 1 22 GLN HB3 H 11.766 -9.916 -1.480 1.00 . A A . 66 GLN HB3 1 1 22 12306 1 1 22 GLN HE21 H 9.093 -10.592 -3.136 1.00 . A A . 66 GLN HE21 1 1 22 12307 1 1 22 GLN HE22 H 7.500 -10.029 -3.300 1.00 . A A . 66 GLN HE22 1 1 22 12308 1 1 22 GLN HG2 H 9.832 -10.516 -0.404 1.00 . A A . 66 GLN HG2 1 1 22 12309 1 1 22 GLN HG3 H 9.752 -8.784 -0.090 1.00 . A A . 66 GLN HG3 1 1 22 12310 1 1 22 GLN N N 11.496 -7.484 -0.358 1.00 . A A . 66 GLN N 1 1 22 12311 1 1 22 GLN NE2 N 8.335 -10.077 -2.789 1.00 . A A . 66 GLN NE2 1 1 22 12312 1 1 22 GLN O O 10.386 -6.454 -3.515 1.00 . A A . 66 GLN O 1 1 22 12313 1 1 22 GLN OE1 O 7.497 -8.819 -1.214 1.00 . A A . 66 GLN OE1 1 1 22 12314 1 1 23 SER C C 7.320 -5.255 -1.165 1.00 . A A . 67 SER C 1 1 22 12315 1 1 23 SER CA C 8.022 -5.995 -2.304 1.00 . A A . 67 SER CA 1 1 22 12316 1 1 23 SER CB C 7.070 -6.989 -2.968 1.00 . A A . 67 SER CB 1 1 22 12317 1 1 23 SER H H 9.032 -7.254 -0.878 1.00 . A A . 67 SER H 1 1 22 12318 1 1 23 SER HA H 8.398 -5.297 -3.035 1.00 . A A . 67 SER HA 1 1 22 12319 1 1 23 SER HB2 H 7.631 -7.818 -3.367 1.00 . A A . 67 SER HB2 1 1 22 12320 1 1 23 SER HB3 H 6.365 -7.356 -2.233 1.00 . A A . 67 SER HB3 1 1 22 12321 1 1 23 SER HG H 6.830 -6.547 -4.847 1.00 . A A . 67 SER HG 1 1 22 12322 1 1 23 SER N N 9.130 -6.826 -1.754 1.00 . A A . 67 SER N 1 1 22 12323 1 1 23 SER O O 7.894 -5.028 -0.120 1.00 . A A . 67 SER O 1 1 22 12324 1 1 23 SER OG O 6.377 -6.340 -4.026 1.00 . A A . 67 SER OG 1 1 22 12325 1 1 24 TYR C C 3.849 -4.241 -0.498 1.00 . A A . 68 TYR C 1 1 22 12326 1 1 24 TYR CA C 5.360 -4.156 -0.270 1.00 . A A . 68 TYR CA 1 1 22 12327 1 1 24 TYR CB C 5.843 -2.710 -0.363 1.00 . A A . 68 TYR CB 1 1 22 12328 1 1 24 TYR CD1 C 6.021 -2.329 -2.849 1.00 . A A . 68 TYR CD1 1 1 22 12329 1 1 24 TYR CD2 C 4.202 -1.282 -1.635 1.00 . A A . 68 TYR CD2 1 1 22 12330 1 1 24 TYR CE1 C 5.557 -1.756 -4.039 1.00 . A A . 68 TYR CE1 1 1 22 12331 1 1 24 TYR CE2 C 3.738 -0.708 -2.826 1.00 . A A . 68 TYR CE2 1 1 22 12332 1 1 24 TYR CG C 5.344 -2.092 -1.647 1.00 . A A . 68 TYR CG 1 1 22 12333 1 1 24 TYR CZ C 4.416 -0.946 -4.027 1.00 . A A . 68 TYR CZ 1 1 22 12334 1 1 24 TYR H H 5.638 -5.071 -2.202 1.00 . A A . 68 TYR H 1 1 22 12335 1 1 24 TYR HA H 5.616 -4.568 0.694 1.00 . A A . 68 TYR HA 1 1 22 12336 1 1 24 TYR HB2 H 5.464 -2.147 0.479 1.00 . A A . 68 TYR HB2 1 1 22 12337 1 1 24 TYR HB3 H 6.925 -2.693 -0.350 1.00 . A A . 68 TYR HB3 1 1 22 12338 1 1 24 TYR HD1 H 6.902 -2.954 -2.857 1.00 . A A . 68 TYR HD1 1 1 22 12339 1 1 24 TYR HD2 H 3.678 -1.098 -0.708 1.00 . A A . 68 TYR HD2 1 1 22 12340 1 1 24 TYR HE1 H 6.079 -1.940 -4.965 1.00 . A A . 68 TYR HE1 1 1 22 12341 1 1 24 TYR HE2 H 2.857 -0.082 -2.816 1.00 . A A . 68 TYR HE2 1 1 22 12342 1 1 24 TYR HH H 3.926 -1.070 -5.869 1.00 . A A . 68 TYR HH 1 1 22 12343 1 1 24 TYR N N 6.087 -4.878 -1.353 1.00 . A A . 68 TYR N 1 1 22 12344 1 1 24 TYR O O 3.388 -4.402 -1.610 1.00 . A A . 68 TYR O 1 1 22 12345 1 1 24 TYR OH O 3.959 -0.381 -5.201 1.00 . A A . 68 TYR OH 1 1 22 12346 1 1 25 ILE C C 0.918 -3.225 1.345 1.00 . A A . 69 ILE C 1 1 22 12347 1 1 25 ILE CA C 1.596 -4.208 0.388 1.00 . A A . 69 ILE CA 1 1 22 12348 1 1 25 ILE CB C 1.235 -5.658 0.731 1.00 . A A . 69 ILE CB 1 1 22 12349 1 1 25 ILE CD1 C 2.318 -7.691 -0.232 1.00 . A A . 69 ILE CD1 1 1 22 12350 1 1 25 ILE CG1 C 1.384 -6.516 -0.525 1.00 . A A . 69 ILE CG1 1 1 22 12351 1 1 25 ILE CG2 C -0.212 -5.742 1.228 1.00 . A A . 69 ILE CG2 1 1 22 12352 1 1 25 ILE H H 3.470 -4.003 1.435 1.00 . A A . 69 ILE H 1 1 22 12353 1 1 25 ILE HA H 1.317 -3.991 -0.631 1.00 . A A . 69 ILE HA 1 1 22 12354 1 1 25 ILE HB H 1.900 -6.023 1.499 1.00 . A A . 69 ILE HB 1 1 22 12355 1 1 25 ILE HD11 H 2.766 -7.562 0.742 1.00 . A A . 69 ILE HD11 1 1 22 12356 1 1 25 ILE HD12 H 1.756 -8.612 -0.250 1.00 . A A . 69 ILE HD12 1 1 22 12357 1 1 25 ILE HD13 H 3.094 -7.729 -0.983 1.00 . A A . 69 ILE HD13 1 1 22 12358 1 1 25 ILE HG12 H 0.415 -6.888 -0.821 1.00 . A A . 69 ILE HG12 1 1 22 12359 1 1 25 ILE HG13 H 1.799 -5.916 -1.320 1.00 . A A . 69 ILE HG13 1 1 22 12360 1 1 25 ILE HG21 H -0.814 -5.010 0.709 1.00 . A A . 69 ILE HG21 1 1 22 12361 1 1 25 ILE HG22 H -0.603 -6.730 1.033 1.00 . A A . 69 ILE HG22 1 1 22 12362 1 1 25 ILE HG23 H -0.241 -5.546 2.289 1.00 . A A . 69 ILE HG23 1 1 22 12363 1 1 25 ILE N N 3.077 -4.133 0.547 1.00 . A A . 69 ILE N 1 1 22 12364 1 1 25 ILE O O 1.132 -3.256 2.539 1.00 . A A . 69 ILE O 1 1 22 12365 1 1 26 CYS C C -1.835 -1.989 2.329 1.00 . A A . 70 CYS C 1 1 22 12366 1 1 26 CYS CA C -0.581 -1.370 1.709 1.00 . A A . 70 CYS CA 1 1 22 12367 1 1 26 CYS CB C -0.954 -0.210 0.794 1.00 . A A . 70 CYS CB 1 1 22 12368 1 1 26 CYS H H -0.054 -2.345 -0.140 1.00 . A A . 70 CYS H 1 1 22 12369 1 1 26 CYS HA H 0.088 -1.027 2.477 1.00 . A A . 70 CYS HA 1 1 22 12370 1 1 26 CYS HB2 H -1.422 -0.593 -0.099 1.00 . A A . 70 CYS HB2 1 1 22 12371 1 1 26 CYS HB3 H -1.639 0.444 1.310 1.00 . A A . 70 CYS HB3 1 1 22 12372 1 1 26 CYS N N 0.105 -2.354 0.828 1.00 . A A . 70 CYS N 1 1 22 12373 1 1 26 CYS O O -2.643 -2.591 1.649 1.00 . A A . 70 CYS O 1 1 22 12374 1 1 26 CYS SG S 0.535 0.710 0.347 1.00 . A A . 70 CYS SG 1 1 22 12375 1 1 27 PHE C C -4.348 -1.394 4.271 1.00 . A A . 71 PHE C 1 1 22 12376 1 1 27 PHE CA C -3.210 -2.418 4.275 1.00 . A A . 71 PHE CA 1 1 22 12377 1 1 27 PHE CB C -2.771 -2.727 5.705 1.00 . A A . 71 PHE CB 1 1 22 12378 1 1 27 PHE CD1 C -1.145 -4.421 4.788 1.00 . A A . 71 PHE CD1 1 1 22 12379 1 1 27 PHE CD2 C -2.467 -5.008 6.734 1.00 . A A . 71 PHE CD2 1 1 22 12380 1 1 27 PHE CE1 C -0.535 -5.680 4.823 1.00 . A A . 71 PHE CE1 1 1 22 12381 1 1 27 PHE CE2 C -1.856 -6.268 6.769 1.00 . A A . 71 PHE CE2 1 1 22 12382 1 1 27 PHE CG C -2.111 -4.085 5.743 1.00 . A A . 71 PHE CG 1 1 22 12383 1 1 27 PHE CZ C -0.891 -6.604 5.813 1.00 . A A . 71 PHE CZ 1 1 22 12384 1 1 27 PHE H H -1.345 -1.349 4.143 1.00 . A A . 71 PHE H 1 1 22 12385 1 1 27 PHE HA H -3.518 -3.325 3.779 1.00 . A A . 71 PHE HA 1 1 22 12386 1 1 27 PHE HB2 H -2.066 -1.974 6.037 1.00 . A A . 71 PHE HB2 1 1 22 12387 1 1 27 PHE HB3 H -3.634 -2.728 6.355 1.00 . A A . 71 PHE HB3 1 1 22 12388 1 1 27 PHE HD1 H -0.870 -3.709 4.024 1.00 . A A . 71 PHE HD1 1 1 22 12389 1 1 27 PHE HD2 H -3.212 -4.749 7.472 1.00 . A A . 71 PHE HD2 1 1 22 12390 1 1 27 PHE HE1 H 0.210 -5.940 4.085 1.00 . A A . 71 PHE HE1 1 1 22 12391 1 1 27 PHE HE2 H -2.131 -6.981 7.533 1.00 . A A . 71 PHE HE2 1 1 22 12392 1 1 27 PHE HZ H -0.420 -7.576 5.840 1.00 . A A . 71 PHE HZ 1 1 22 12393 1 1 27 PHE N N -2.006 -1.842 3.613 1.00 . A A . 71 PHE N 1 1 22 12394 1 1 27 PHE O O -4.541 -0.659 5.220 1.00 . A A . 71 PHE O 1 1 22 12395 1 1 28 CYS C C -7.262 -0.667 4.218 1.00 . A A . 72 CYS C 1 1 22 12396 1 1 28 CYS CA C -6.223 -0.361 3.136 1.00 . A A . 72 CYS CA 1 1 22 12397 1 1 28 CYS CB C -6.827 -0.552 1.743 1.00 . A A . 72 CYS CB 1 1 22 12398 1 1 28 CYS H H -4.923 -1.940 2.454 1.00 . A A . 72 CYS H 1 1 22 12399 1 1 28 CYS HA H -5.854 0.647 3.241 1.00 . A A . 72 CYS HA 1 1 22 12400 1 1 28 CYS HB2 H -7.320 -1.513 1.695 1.00 . A A . 72 CYS HB2 1 1 22 12401 1 1 28 CYS HB3 H -7.544 0.233 1.552 1.00 . A A . 72 CYS HB3 1 1 22 12402 1 1 28 CYS N N -5.100 -1.339 3.207 1.00 . A A . 72 CYS N 1 1 22 12403 1 1 28 CYS O O -7.044 -1.488 5.086 1.00 . A A . 72 CYS O 1 1 22 12404 1 1 28 CYS SG S -5.514 -0.487 0.500 1.00 . A A . 72 CYS SG 1 1 22 12405 1 1 29 LEU C C -10.434 -1.311 4.670 1.00 . A A . 73 LEU C 1 1 22 12406 1 1 29 LEU CA C -9.444 -0.267 5.193 1.00 . A A . 73 LEU CA 1 1 22 12407 1 1 29 LEU CB C -10.139 1.083 5.391 1.00 . A A . 73 LEU CB 1 1 22 12408 1 1 29 LEU CD1 C -9.790 3.559 5.498 1.00 . A A . 73 LEU CD1 1 1 22 12409 1 1 29 LEU CD2 C -8.250 2.025 6.732 1.00 . A A . 73 LEU CD2 1 1 22 12410 1 1 29 LEU CG C -9.091 2.197 5.463 1.00 . A A . 73 LEU CG 1 1 22 12411 1 1 29 LEU H H -8.546 0.644 3.458 1.00 . A A . 73 LEU H 1 1 22 12412 1 1 29 LEU HA H -9.001 -0.596 6.119 1.00 . A A . 73 LEU HA 1 1 22 12413 1 1 29 LEU HB2 H -10.806 1.268 4.562 1.00 . A A . 73 LEU HB2 1 1 22 12414 1 1 29 LEU HB3 H -10.704 1.064 6.310 1.00 . A A . 73 LEU HB3 1 1 22 12415 1 1 29 LEU HD11 H -10.502 3.577 6.310 1.00 . A A . 73 LEU HD11 1 1 22 12416 1 1 29 LEU HD12 H -9.056 4.336 5.646 1.00 . A A . 73 LEU HD12 1 1 22 12417 1 1 29 LEU HD13 H -10.305 3.723 4.563 1.00 . A A . 73 LEU HD13 1 1 22 12418 1 1 29 LEU HD21 H -7.985 0.984 6.850 1.00 . A A . 73 LEU HD21 1 1 22 12419 1 1 29 LEU HD22 H -7.352 2.618 6.652 1.00 . A A . 73 LEU HD22 1 1 22 12420 1 1 29 LEU HD23 H -8.821 2.350 7.589 1.00 . A A . 73 LEU HD23 1 1 22 12421 1 1 29 LEU HG H -8.450 2.144 4.594 1.00 . A A . 73 LEU HG 1 1 22 12422 1 1 29 LEU N N -8.390 -0.013 4.169 1.00 . A A . 73 LEU N 1 1 22 12423 1 1 29 LEU O O -10.290 -1.805 3.569 1.00 . A A . 73 LEU O 1 1 22 12424 1 1 30 PRO C C -13.195 -2.131 3.845 1.00 . A A . 74 PRO C 1 1 22 12425 1 1 30 PRO CA C -12.441 -2.610 5.089 1.00 . A A . 74 PRO CA 1 1 22 12426 1 1 30 PRO CB C -13.375 -2.682 6.298 1.00 . A A . 74 PRO CB 1 1 22 12427 1 1 30 PRO CD C -11.656 -1.065 6.815 1.00 . A A . 74 PRO CD 1 1 22 12428 1 1 30 PRO CG C -12.631 -2.034 7.425 1.00 . A A . 74 PRO CG 1 1 22 12429 1 1 30 PRO HA H -11.989 -3.570 4.911 1.00 . A A . 74 PRO HA 1 1 22 12430 1 1 30 PRO HB2 H -14.291 -2.144 6.094 1.00 . A A . 74 PRO HB2 1 1 22 12431 1 1 30 PRO HB3 H -13.589 -3.712 6.545 1.00 . A A . 74 PRO HB3 1 1 22 12432 1 1 30 PRO HD2 H -12.094 -0.079 6.750 1.00 . A A . 74 PRO HD2 1 1 22 12433 1 1 30 PRO HD3 H -10.737 -1.040 7.380 1.00 . A A . 74 PRO HD3 1 1 22 12434 1 1 30 PRO HG2 H -13.323 -1.507 8.067 1.00 . A A . 74 PRO HG2 1 1 22 12435 1 1 30 PRO HG3 H -12.095 -2.779 7.991 1.00 . A A . 74 PRO HG3 1 1 22 12436 1 1 30 PRO N N -11.414 -1.613 5.479 1.00 . A A . 74 PRO N 1 1 22 12437 1 1 30 PRO O O -13.927 -2.876 3.224 1.00 . A A . 74 PRO O 1 1 22 12438 1 1 31 ALA C C -12.973 -0.763 1.004 1.00 . A A . 75 ALA C 1 1 22 12439 1 1 31 ALA CA C -13.721 -0.359 2.278 1.00 . A A . 75 ALA CA 1 1 22 12440 1 1 31 ALA CB C -13.699 1.159 2.450 1.00 . A A . 75 ALA CB 1 1 22 12441 1 1 31 ALA H H -12.424 -0.312 3.997 1.00 . A A . 75 ALA H 1 1 22 12442 1 1 31 ALA HA H -14.738 -0.713 2.247 1.00 . A A . 75 ALA HA 1 1 22 12443 1 1 31 ALA HB1 H -12.705 1.475 2.731 1.00 . A A . 75 ALA HB1 1 1 22 12444 1 1 31 ALA HB2 H -13.979 1.631 1.520 1.00 . A A . 75 ALA HB2 1 1 22 12445 1 1 31 ALA HB3 H -14.399 1.444 3.222 1.00 . A A . 75 ALA HB3 1 1 22 12446 1 1 31 ALA N N -13.019 -0.892 3.480 1.00 . A A . 75 ALA N 1 1 22 12447 1 1 31 ALA O O -13.571 -1.050 -0.014 1.00 . A A . 75 ALA O 1 1 22 12448 1 1 32 PHE C C -10.188 -2.509 0.069 1.00 . A A . 76 PHE C 1 1 22 12449 1 1 32 PHE CA C -10.884 -1.164 -0.154 1.00 . A A . 76 PHE CA 1 1 22 12450 1 1 32 PHE CB C -9.850 -0.048 -0.330 1.00 . A A . 76 PHE CB 1 1 22 12451 1 1 32 PHE CD1 C -10.689 1.793 1.174 1.00 . A A . 76 PHE CD1 1 1 22 12452 1 1 32 PHE CD2 C -10.944 2.042 -1.225 1.00 . A A . 76 PHE CD2 1 1 22 12453 1 1 32 PHE CE1 C -11.301 3.037 1.368 1.00 . A A . 76 PHE CE1 1 1 22 12454 1 1 32 PHE CE2 C -11.554 3.286 -1.031 1.00 . A A . 76 PHE CE2 1 1 22 12455 1 1 32 PHE CG C -10.511 1.295 -0.122 1.00 . A A . 76 PHE CG 1 1 22 12456 1 1 32 PHE CZ C -11.733 3.784 0.266 1.00 . A A . 76 PHE CZ 1 1 22 12457 1 1 32 PHE H H -11.209 -0.547 1.881 1.00 . A A . 76 PHE H 1 1 22 12458 1 1 32 PHE HA H -11.526 -1.211 -1.016 1.00 . A A . 76 PHE HA 1 1 22 12459 1 1 32 PHE HB2 H -9.057 -0.175 0.393 1.00 . A A . 76 PHE HB2 1 1 22 12460 1 1 32 PHE HB3 H -9.440 -0.094 -1.329 1.00 . A A . 76 PHE HB3 1 1 22 12461 1 1 32 PHE HD1 H -10.356 1.216 2.024 1.00 . A A . 76 PHE HD1 1 1 22 12462 1 1 32 PHE HD2 H -10.805 1.657 -2.225 1.00 . A A . 76 PHE HD2 1 1 22 12463 1 1 32 PHE HE1 H -11.439 3.421 2.368 1.00 . A A . 76 PHE HE1 1 1 22 12464 1 1 32 PHE HE2 H -11.888 3.862 -1.881 1.00 . A A . 76 PHE HE2 1 1 22 12465 1 1 32 PHE HZ H -12.205 4.744 0.416 1.00 . A A . 76 PHE HZ 1 1 22 12466 1 1 32 PHE N N -11.670 -0.783 1.053 1.00 . A A . 76 PHE N 1 1 22 12467 1 1 32 PHE O O -10.311 -3.118 1.114 1.00 . A A . 76 PHE O 1 1 22 12468 1 1 33 GLU C C -7.805 -4.520 -1.927 1.00 . A A . 77 GLU C 1 1 22 12469 1 1 33 GLU CA C -8.752 -4.284 -0.748 1.00 . A A . 77 GLU CA 1 1 22 12470 1 1 33 GLU CB C -9.863 -5.334 -0.733 1.00 . A A . 77 GLU CB 1 1 22 12471 1 1 33 GLU CD C -8.469 -7.366 -0.315 1.00 . A A . 77 GLU CD 1 1 22 12472 1 1 33 GLU CG C -9.519 -6.427 0.282 1.00 . A A . 77 GLU CG 1 1 22 12473 1 1 33 GLU H H -9.369 -2.472 -1.740 1.00 . A A . 77 GLU H 1 1 22 12474 1 1 33 GLU HA H -8.209 -4.309 0.184 1.00 . A A . 77 GLU HA 1 1 22 12475 1 1 33 GLU HB2 H -10.797 -4.867 -0.457 1.00 . A A . 77 GLU HB2 1 1 22 12476 1 1 33 GLU HB3 H -9.956 -5.775 -1.714 1.00 . A A . 77 GLU HB3 1 1 22 12477 1 1 33 GLU HG2 H -9.128 -5.973 1.181 1.00 . A A . 77 GLU HG2 1 1 22 12478 1 1 33 GLU HG3 H -10.409 -6.990 0.521 1.00 . A A . 77 GLU HG3 1 1 22 12479 1 1 33 GLU N N -9.456 -2.978 -0.905 1.00 . A A . 77 GLU N 1 1 22 12480 1 1 33 GLU O O -7.968 -5.453 -2.688 1.00 . A A . 77 GLU O 1 1 22 12481 1 1 33 GLU OE1 O -7.341 -6.934 -0.478 1.00 . A A . 77 GLU OE1 1 1 22 12482 1 1 33 GLU OE2 O -8.812 -8.502 -0.597 1.00 . A A . 77 GLU OE2 1 1 22 12483 1 1 34 GLY C C -4.470 -3.388 -2.789 1.00 . A A . 78 GLY C 1 1 22 12484 1 1 34 GLY CA C -5.860 -3.862 -3.214 1.00 . A A . 78 GLY CA 1 1 22 12485 1 1 34 GLY H H -6.701 -2.937 -1.458 1.00 . A A . 78 GLY H 1 1 22 12486 1 1 34 GLY HA2 H -5.818 -4.907 -3.487 1.00 . A A . 78 GLY HA2 1 1 22 12487 1 1 34 GLY HA3 H -6.192 -3.282 -4.062 1.00 . A A . 78 GLY HA3 1 1 22 12488 1 1 34 GLY N N -6.815 -3.683 -2.083 1.00 . A A . 78 GLY N 1 1 22 12489 1 1 34 GLY O O -4.310 -2.728 -1.781 1.00 . A A . 78 GLY O 1 1 22 12490 1 1 35 ARG C C -2.055 -1.777 -2.909 1.00 . A A . 79 ARG C 1 1 22 12491 1 1 35 ARG CA C -2.081 -3.283 -3.189 1.00 . A A . 79 ARG CA 1 1 22 12492 1 1 35 ARG CB C -1.228 -3.614 -4.414 1.00 . A A . 79 ARG CB 1 1 22 12493 1 1 35 ARG CD C -0.092 -5.833 -4.217 1.00 . A A . 79 ARG CD 1 1 22 12494 1 1 35 ARG CG C -1.340 -5.108 -4.726 1.00 . A A . 79 ARG CG 1 1 22 12495 1 1 35 ARG CZ C 0.467 -7.333 -6.033 1.00 . A A . 79 ARG CZ 1 1 22 12496 1 1 35 ARG H H -3.612 -4.248 -4.360 1.00 . A A . 79 ARG H 1 1 22 12497 1 1 35 ARG HA H -1.726 -3.832 -2.332 1.00 . A A . 79 ARG HA 1 1 22 12498 1 1 35 ARG HB2 H -1.576 -3.042 -5.261 1.00 . A A . 79 ARG HB2 1 1 22 12499 1 1 35 ARG HB3 H -0.196 -3.369 -4.212 1.00 . A A . 79 ARG HB3 1 1 22 12500 1 1 35 ARG HD2 H 0.489 -5.177 -3.584 1.00 . A A . 79 ARG HD2 1 1 22 12501 1 1 35 ARG HD3 H -0.368 -6.728 -3.682 1.00 . A A . 79 ARG HD3 1 1 22 12502 1 1 35 ARG HE H 1.332 -5.560 -5.809 1.00 . A A . 79 ARG HE 1 1 22 12503 1 1 35 ARG HG2 H -2.216 -5.512 -4.239 1.00 . A A . 79 ARG HG2 1 1 22 12504 1 1 35 ARG HG3 H -1.425 -5.248 -5.793 1.00 . A A . 79 ARG HG3 1 1 22 12505 1 1 35 ARG HH11 H -1.277 -7.667 -5.110 1.00 . A A . 79 ARG HH11 1 1 22 12506 1 1 35 ARG HH12 H -0.769 -8.898 -6.217 1.00 . A A . 79 ARG HH12 1 1 22 12507 1 1 35 ARG HH21 H 2.164 -7.268 -7.095 1.00 . A A . 79 ARG HH21 1 1 22 12508 1 1 35 ARG HH22 H 1.180 -8.672 -7.341 1.00 . A A . 79 ARG HH22 1 1 22 12509 1 1 35 ARG N N -3.462 -3.716 -3.551 1.00 . A A . 79 ARG N 1 1 22 12510 1 1 35 ARG NE N 0.673 -6.187 -5.444 1.00 . A A . 79 ARG NE 1 1 22 12511 1 1 35 ARG NH1 N -0.611 -8.019 -5.766 1.00 . A A . 79 ARG NH1 1 1 22 12512 1 1 35 ARG NH2 N 1.338 -7.794 -6.890 1.00 . A A . 79 ARG NH2 1 1 22 12513 1 1 35 ARG O O -1.253 -1.294 -2.134 1.00 . A A . 79 ARG O 1 1 22 12514 1 1 36 ASN C C -4.384 0.921 -3.082 1.00 . A A . 80 ASN C 1 1 22 12515 1 1 36 ASN CA C -2.947 0.442 -3.306 1.00 . A A . 80 ASN CA 1 1 22 12516 1 1 36 ASN CB C -2.372 1.049 -4.585 1.00 . A A . 80 ASN CB 1 1 22 12517 1 1 36 ASN CG C -0.995 0.444 -4.864 1.00 . A A . 80 ASN CG 1 1 22 12518 1 1 36 ASN H H -3.562 -1.440 -4.158 1.00 . A A . 80 ASN H 1 1 22 12519 1 1 36 ASN HA H -2.327 0.701 -2.462 1.00 . A A . 80 ASN HA 1 1 22 12520 1 1 36 ASN HB2 H -3.035 0.838 -5.413 1.00 . A A . 80 ASN HB2 1 1 22 12521 1 1 36 ASN HB3 H -2.275 2.118 -4.465 1.00 . A A . 80 ASN HB3 1 1 22 12522 1 1 36 ASN HD21 H -0.058 2.194 -4.796 1.00 . A A . 80 ASN HD21 1 1 22 12523 1 1 36 ASN HD22 H 0.937 0.843 -5.106 1.00 . A A . 80 ASN HD22 1 1 22 12524 1 1 36 ASN N N -2.924 -1.032 -3.536 1.00 . A A . 80 ASN N 1 1 22 12525 1 1 36 ASN ND2 N 0.048 1.225 -4.928 1.00 . A A . 80 ASN ND2 1 1 22 12526 1 1 36 ASN O O -4.773 1.979 -3.534 1.00 . A A . 80 ASN O 1 1 22 12527 1 1 36 ASN OD1 O -0.868 -0.754 -5.027 1.00 . A A . 80 ASN OD1 1 1 22 12528 1 1 37 CYS C C -7.276 0.918 -3.457 1.00 . A A . 81 CYS C 1 1 22 12529 1 1 37 CYS CA C -6.589 0.559 -2.138 1.00 . A A . 81 CYS CA 1 1 22 12530 1 1 37 CYS CB C -6.497 1.789 -1.232 1.00 . A A . 81 CYS CB 1 1 22 12531 1 1 37 CYS H H -4.843 -0.703 -2.035 1.00 . A A . 81 CYS H 1 1 22 12532 1 1 37 CYS HA H -7.126 -0.229 -1.634 1.00 . A A . 81 CYS HA 1 1 22 12533 1 1 37 CYS HB2 H -6.172 2.640 -1.813 1.00 . A A . 81 CYS HB2 1 1 22 12534 1 1 37 CYS HB3 H -7.469 1.994 -0.806 1.00 . A A . 81 CYS HB3 1 1 22 12535 1 1 37 CYS N N -5.176 0.148 -2.389 1.00 . A A . 81 CYS N 1 1 22 12536 1 1 37 CYS O O -8.280 1.601 -3.479 1.00 . A A . 81 CYS O 1 1 22 12537 1 1 37 CYS SG S -5.309 1.482 0.100 1.00 . A A . 81 CYS SG 1 1 22 12538 1 1 38 GLU C C -8.565 -0.134 -6.128 1.00 . A A . 82 GLU C 1 1 22 12539 1 1 38 GLU CA C -7.365 0.783 -5.875 1.00 . A A . 82 GLU CA 1 1 22 12540 1 1 38 GLU CB C -6.261 0.524 -6.903 1.00 . A A . 82 GLU CB 1 1 22 12541 1 1 38 GLU CD C -5.769 0.177 -9.329 1.00 . A A . 82 GLU CD 1 1 22 12542 1 1 38 GLU CG C -6.877 0.407 -8.300 1.00 . A A . 82 GLU CG 1 1 22 12543 1 1 38 GLU H H -5.931 -0.084 -4.520 1.00 . A A . 82 GLU H 1 1 22 12544 1 1 38 GLU HA H -7.665 1.818 -5.911 1.00 . A A . 82 GLU HA 1 1 22 12545 1 1 38 GLU HB2 H -5.557 1.344 -6.889 1.00 . A A . 82 GLU HB2 1 1 22 12546 1 1 38 GLU HB3 H -5.750 -0.397 -6.660 1.00 . A A . 82 GLU HB3 1 1 22 12547 1 1 38 GLU HG2 H -7.567 -0.424 -8.320 1.00 . A A . 82 GLU HG2 1 1 22 12548 1 1 38 GLU HG3 H -7.404 1.319 -8.538 1.00 . A A . 82 GLU HG3 1 1 22 12549 1 1 38 GLU N N -6.742 0.465 -4.558 1.00 . A A . 82 GLU N 1 1 22 12550 1 1 38 GLU O O -9.424 0.160 -6.935 1.00 . A A . 82 GLU O 1 1 22 12551 1 1 38 GLU OE1 O -4.779 0.887 -9.271 1.00 . A A . 82 GLU OE1 1 1 22 12552 1 1 38 GLU OE2 O -5.931 -0.703 -10.157 1.00 . A A . 82 GLU OE2 1 1 22 12553 1 1 39 THR C C -10.939 -1.795 -4.720 1.00 . A A . 83 THR C 1 1 22 12554 1 1 39 THR CA C -9.779 -2.175 -5.644 1.00 . A A . 83 THR CA 1 1 22 12555 1 1 39 THR CB C -9.234 -3.557 -5.281 1.00 . A A . 83 THR CB 1 1 22 12556 1 1 39 THR CG2 C -10.385 -4.562 -5.220 1.00 . A A . 83 THR CG2 1 1 22 12557 1 1 39 THR H H -7.930 -1.462 -4.796 1.00 . A A . 83 THR H 1 1 22 12558 1 1 39 THR HA H -10.097 -2.164 -6.675 1.00 . A A . 83 THR HA 1 1 22 12559 1 1 39 THR HB H -8.751 -3.511 -4.317 1.00 . A A . 83 THR HB 1 1 22 12560 1 1 39 THR HG1 H -7.783 -3.198 -6.526 1.00 . A A . 83 THR HG1 1 1 22 12561 1 1 39 THR HG21 H -11.316 -4.055 -5.432 1.00 . A A . 83 THR HG21 1 1 22 12562 1 1 39 THR HG22 H -10.224 -5.339 -5.952 1.00 . A A . 83 THR HG22 1 1 22 12563 1 1 39 THR HG23 H -10.430 -4.999 -4.234 1.00 . A A . 83 THR HG23 1 1 22 12564 1 1 39 THR N N -8.633 -1.242 -5.442 1.00 . A A . 83 THR N 1 1 22 12565 1 1 39 THR O O -11.370 -2.577 -3.897 1.00 . A A . 83 THR O 1 1 22 12566 1 1 39 THR OG1 O -8.294 -3.967 -6.264 1.00 . A A . 83 THR OG1 1 1 22 12567 1 1 40 HIS C C -13.632 -1.281 -3.905 1.00 . A A . 84 HIS C 1 1 22 12568 1 1 40 HIS CA C -12.579 -0.173 -3.981 1.00 . A A . 84 HIS CA 1 1 22 12569 1 1 40 HIS CB C -13.154 1.070 -4.660 1.00 . A A . 84 HIS CB 1 1 22 12570 1 1 40 HIS CD2 C -14.891 1.665 -2.780 1.00 . A A . 84 HIS CD2 1 1 22 12571 1 1 40 HIS CE1 C -16.670 1.758 -4.012 1.00 . A A . 84 HIS CE1 1 1 22 12572 1 1 40 HIS CG C -14.498 1.390 -4.066 1.00 . A A . 84 HIS CG 1 1 22 12573 1 1 40 HIS H H -11.084 0.016 -5.522 1.00 . A A . 84 HIS H 1 1 22 12574 1 1 40 HIS HA H -12.222 0.078 -2.995 1.00 . A A . 84 HIS HA 1 1 22 12575 1 1 40 HIS HB2 H -12.486 1.905 -4.509 1.00 . A A . 84 HIS HB2 1 1 22 12576 1 1 40 HIS HB3 H -13.264 0.884 -5.718 1.00 . A A . 84 HIS HB3 1 1 22 12577 1 1 40 HIS HD1 H -15.709 1.307 -5.802 1.00 . A A . 84 HIS HD1 1 1 22 12578 1 1 40 HIS HD2 H -14.234 1.695 -1.923 1.00 . A A . 84 HIS HD2 1 1 22 12579 1 1 40 HIS HE1 H -17.694 1.874 -4.334 1.00 . A A . 84 HIS HE1 1 1 22 12580 1 1 40 HIS N N -11.447 -0.600 -4.852 1.00 . A A . 84 HIS N 1 1 22 12581 1 1 40 HIS ND1 N -15.650 1.455 -4.836 1.00 . A A . 84 HIS ND1 1 1 22 12582 1 1 40 HIS NE2 N -16.263 1.897 -2.747 1.00 . A A . 84 HIS NE2 1 1 22 12583 1 1 40 HIS O O -14.310 -1.574 -4.870 1.00 . A A . 84 HIS O 1 1 22 12584 1 1 41 LYS C C -16.153 -2.507 -3.120 1.00 . A A . 85 LYS C 1 1 22 12585 1 1 41 LYS CA C -14.784 -2.989 -2.629 1.00 . A A . 85 LYS CA 1 1 22 12586 1 1 41 LYS CB C -14.832 -3.303 -1.134 1.00 . A A . 85 LYS CB 1 1 22 12587 1 1 41 LYS CD C -13.421 -3.866 0.851 1.00 . A A . 85 LYS CD 1 1 22 12588 1 1 41 LYS CE C -13.203 -5.307 1.317 1.00 . A A . 85 LYS CE 1 1 22 12589 1 1 41 LYS CG C -13.468 -3.826 -0.678 1.00 . A A . 85 LYS CG 1 1 22 12590 1 1 41 LYS H H -13.219 -1.649 -1.998 1.00 . A A . 85 LYS H 1 1 22 12591 1 1 41 LYS HA H -14.473 -3.862 -3.180 1.00 . A A . 85 LYS HA 1 1 22 12592 1 1 41 LYS HB2 H -15.076 -2.403 -0.584 1.00 . A A . 85 LYS HB2 1 1 22 12593 1 1 41 LYS HB3 H -15.584 -4.057 -0.947 1.00 . A A . 85 LYS HB3 1 1 22 12594 1 1 41 LYS HD2 H -12.609 -3.246 1.202 1.00 . A A . 85 LYS HD2 1 1 22 12595 1 1 41 LYS HD3 H -14.354 -3.498 1.250 1.00 . A A . 85 LYS HD3 1 1 22 12596 1 1 41 LYS HE2 H -12.329 -5.728 0.839 1.00 . A A . 85 LYS HE2 1 1 22 12597 1 1 41 LYS HE3 H -13.101 -5.344 2.391 1.00 . A A . 85 LYS HE3 1 1 22 12598 1 1 41 LYS HG2 H -13.314 -4.820 -1.070 1.00 . A A . 85 LYS HG2 1 1 22 12599 1 1 41 LYS HG3 H -12.691 -3.171 -1.043 1.00 . A A . 85 LYS HG3 1 1 22 12600 1 1 41 LYS HZ1 H -15.264 -5.433 1.053 1.00 . A A . 85 LYS HZ1 1 1 22 12601 1 1 41 LYS HZ2 H -14.362 -6.278 -0.113 1.00 . A A . 85 LYS HZ2 1 1 22 12602 1 1 41 LYS HZ3 H -14.525 -6.909 1.453 1.00 . A A . 85 LYS HZ3 1 1 22 12603 1 1 41 LYS N N -13.775 -1.900 -2.765 1.00 . A A . 85 LYS N 1 1 22 12604 1 1 41 LYS NZ N -14.432 -6.037 0.896 1.00 . A A . 85 LYS NZ 1 1 22 12605 1 1 41 LYS O O -16.258 -1.342 -3.467 1.00 . A A . 85 LYS O 1 1 22 12606 1 1 41 LYS OXT O -17.070 -3.309 -3.139 1.00 . A A . 85 LYS OXT 1 1 23 12607 1 1 1 SER C C 14.465 -3.616 -3.616 1.00 . A A . 45 SER C 1 1 23 12608 1 1 1 SER CA C 15.701 -4.022 -4.421 1.00 . A A . 45 SER CA 1 1 23 12609 1 1 1 SER CB C 15.408 -5.262 -5.265 1.00 . A A . 45 SER CB 1 1 23 12610 1 1 1 SER H1 H 16.410 -4.998 -2.723 1.00 . A A . 45 SER H1 1 1 23 12611 1 1 1 SER H2 H 17.499 -5.000 -4.027 1.00 . A A . 45 SER H2 1 1 23 12612 1 1 1 SER H3 H 17.268 -3.586 -3.119 1.00 . A A . 45 SER H3 1 1 23 12613 1 1 1 SER HA H 16.022 -3.212 -5.056 1.00 . A A . 45 SER HA 1 1 23 12614 1 1 1 SER HB2 H 16.140 -6.025 -5.055 1.00 . A A . 45 SER HB2 1 1 23 12615 1 1 1 SER HB3 H 14.422 -5.636 -5.023 1.00 . A A . 45 SER HB3 1 1 23 12616 1 1 1 SER HG H 15.215 -5.689 -7.154 1.00 . A A . 45 SER HG 1 1 23 12617 1 1 1 SER N N 16.803 -4.432 -3.503 1.00 . A A . 45 SER N 1 1 23 12618 1 1 1 SER O O 13.350 -3.957 -3.957 1.00 . A A . 45 SER O 1 1 23 12619 1 1 1 SER OG O 15.473 -4.919 -6.643 1.00 . A A . 45 SER OG 1 1 23 12620 1 1 2 ASP C C 13.959 -1.602 -0.546 1.00 . A A . 46 ASP C 1 1 23 12621 1 1 2 ASP CA C 13.487 -2.461 -1.723 1.00 . A A . 46 ASP CA 1 1 23 12622 1 1 2 ASP CB C 12.860 -3.762 -1.219 1.00 . A A . 46 ASP CB 1 1 23 12623 1 1 2 ASP CG C 13.951 -4.665 -0.640 1.00 . A A . 46 ASP CG 1 1 23 12624 1 1 2 ASP H H 15.561 -2.624 -2.290 1.00 . A A . 46 ASP H 1 1 23 12625 1 1 2 ASP HA H 12.776 -1.918 -2.326 1.00 . A A . 46 ASP HA 1 1 23 12626 1 1 2 ASP HB2 H 12.132 -3.537 -0.453 1.00 . A A . 46 ASP HB2 1 1 23 12627 1 1 2 ASP HB3 H 12.374 -4.268 -2.040 1.00 . A A . 46 ASP HB3 1 1 23 12628 1 1 2 ASP N N 14.653 -2.888 -2.548 1.00 . A A . 46 ASP N 1 1 23 12629 1 1 2 ASP O O 15.139 -1.383 -0.359 1.00 . A A . 46 ASP O 1 1 23 12630 1 1 2 ASP OD1 O 14.786 -4.158 0.089 1.00 . A A . 46 ASP OD1 1 1 23 12631 1 1 2 ASP OD2 O 13.932 -5.848 -0.938 1.00 . A A . 46 ASP OD2 1 1 23 12632 1 1 3 GLY C C 12.929 1.157 1.205 1.00 . A A . 47 GLY C 1 1 23 12633 1 1 3 GLY CA C 13.441 -0.270 1.410 1.00 . A A . 47 GLY CA 1 1 23 12634 1 1 3 GLY H H 12.098 -1.302 0.079 1.00 . A A . 47 GLY H 1 1 23 12635 1 1 3 GLY HA2 H 13.014 -0.681 2.314 1.00 . A A . 47 GLY HA2 1 1 23 12636 1 1 3 GLY HA3 H 14.518 -0.254 1.495 1.00 . A A . 47 GLY HA3 1 1 23 12637 1 1 3 GLY N N 13.045 -1.114 0.248 1.00 . A A . 47 GLY N 1 1 23 12638 1 1 3 GLY O O 12.972 1.977 2.101 1.00 . A A . 47 GLY O 1 1 23 12639 1 1 4 ASP C C 10.568 2.771 -0.919 1.00 . A A . 48 ASP C 1 1 23 12640 1 1 4 ASP CA C 11.935 2.836 -0.232 1.00 . A A . 48 ASP CA 1 1 23 12641 1 1 4 ASP CB C 12.969 3.473 -1.159 1.00 . A A . 48 ASP CB 1 1 23 12642 1 1 4 ASP CG C 14.298 3.620 -0.417 1.00 . A A . 48 ASP CG 1 1 23 12643 1 1 4 ASP H H 12.423 0.785 -0.679 1.00 . A A . 48 ASP H 1 1 23 12644 1 1 4 ASP HA H 11.868 3.397 0.688 1.00 . A A . 48 ASP HA 1 1 23 12645 1 1 4 ASP HB2 H 13.106 2.846 -2.027 1.00 . A A . 48 ASP HB2 1 1 23 12646 1 1 4 ASP HB3 H 12.622 4.448 -1.470 1.00 . A A . 48 ASP HB3 1 1 23 12647 1 1 4 ASP N N 12.448 1.461 0.031 1.00 . A A . 48 ASP N 1 1 23 12648 1 1 4 ASP O O 9.972 3.782 -1.234 1.00 . A A . 48 ASP O 1 1 23 12649 1 1 4 ASP OD1 O 14.283 3.568 0.802 1.00 . A A . 48 ASP OD1 1 1 23 12650 1 1 4 ASP OD2 O 15.310 3.780 -1.081 1.00 . A A . 48 ASP OD2 1 1 23 12651 1 1 5 GLN C C 7.758 2.482 -1.260 1.00 . A A . 49 GLN C 1 1 23 12652 1 1 5 GLN CA C 8.742 1.458 -1.826 1.00 . A A . 49 GLN CA 1 1 23 12653 1 1 5 GLN CB C 8.283 0.039 -1.512 1.00 . A A . 49 GLN CB 1 1 23 12654 1 1 5 GLN CD C 9.512 -2.137 -1.430 1.00 . A A . 49 GLN CD 1 1 23 12655 1 1 5 GLN CG C 9.121 -0.955 -2.319 1.00 . A A . 49 GLN CG 1 1 23 12656 1 1 5 GLN H H 10.567 0.787 -0.898 1.00 . A A . 49 GLN H 1 1 23 12657 1 1 5 GLN HA H 8.845 1.579 -2.888 1.00 . A A . 49 GLN HA 1 1 23 12658 1 1 5 GLN HB2 H 8.412 -0.151 -0.459 1.00 . A A . 49 GLN HB2 1 1 23 12659 1 1 5 GLN HB3 H 7.242 -0.070 -1.776 1.00 . A A . 49 GLN HB3 1 1 23 12660 1 1 5 GLN HE21 H 9.972 -0.994 0.130 1.00 . A A . 49 GLN HE21 1 1 23 12661 1 1 5 GLN HE22 H 10.171 -2.671 0.368 1.00 . A A . 49 GLN HE22 1 1 23 12662 1 1 5 GLN HG2 H 8.547 -1.310 -3.161 1.00 . A A . 49 GLN HG2 1 1 23 12663 1 1 5 GLN HG3 H 10.016 -0.465 -2.674 1.00 . A A . 49 GLN HG3 1 1 23 12664 1 1 5 GLN N N 10.069 1.589 -1.157 1.00 . A A . 49 GLN N 1 1 23 12665 1 1 5 GLN NE2 N 9.919 -1.916 -0.210 1.00 . A A . 49 GLN NE2 1 1 23 12666 1 1 5 GLN O O 7.039 3.137 -1.990 1.00 . A A . 49 GLN O 1 1 23 12667 1 1 5 GLN OE1 O 9.448 -3.275 -1.851 1.00 . A A . 49 GLN OE1 1 1 23 12668 1 1 6 CYS C C 7.417 5.010 0.649 1.00 . A A . 50 CYS C 1 1 23 12669 1 1 6 CYS CA C 6.787 3.613 0.653 1.00 . A A . 50 CYS CA 1 1 23 12670 1 1 6 CYS CB C 6.581 3.120 2.085 1.00 . A A . 50 CYS CB 1 1 23 12671 1 1 6 CYS H H 8.312 2.088 0.603 1.00 . A A . 50 CYS H 1 1 23 12672 1 1 6 CYS HA H 5.847 3.620 0.125 1.00 . A A . 50 CYS HA 1 1 23 12673 1 1 6 CYS HB2 H 6.134 2.136 2.067 1.00 . A A . 50 CYS HB2 1 1 23 12674 1 1 6 CYS HB3 H 7.534 3.072 2.591 1.00 . A A . 50 CYS HB3 1 1 23 12675 1 1 6 CYS N N 7.722 2.627 0.035 1.00 . A A . 50 CYS N 1 1 23 12676 1 1 6 CYS O O 7.366 5.728 1.627 1.00 . A A . 50 CYS O 1 1 23 12677 1 1 6 CYS SG S 5.487 4.262 2.967 1.00 . A A . 50 CYS SG 1 1 23 12678 1 1 7 ALA C C 7.579 7.819 -0.774 1.00 . A A . 51 ALA C 1 1 23 12679 1 1 7 ALA CA C 8.642 6.750 -0.510 1.00 . A A . 51 ALA CA 1 1 23 12680 1 1 7 ALA CB C 9.626 6.672 -1.678 1.00 . A A . 51 ALA CB 1 1 23 12681 1 1 7 ALA H H 8.043 4.808 -1.225 1.00 . A A . 51 ALA H 1 1 23 12682 1 1 7 ALA HA H 9.172 6.962 0.405 1.00 . A A . 51 ALA HA 1 1 23 12683 1 1 7 ALA HB1 H 9.559 5.698 -2.140 1.00 . A A . 51 ALA HB1 1 1 23 12684 1 1 7 ALA HB2 H 9.383 7.433 -2.405 1.00 . A A . 51 ALA HB2 1 1 23 12685 1 1 7 ALA HB3 H 10.630 6.830 -1.314 1.00 . A A . 51 ALA HB3 1 1 23 12686 1 1 7 ALA N N 8.012 5.401 -0.446 1.00 . A A . 51 ALA N 1 1 23 12687 1 1 7 ALA O O 7.357 8.701 0.032 1.00 . A A . 51 ALA O 1 1 23 12688 1 1 8 SER C C 4.487 8.222 -1.830 1.00 . A A . 52 SER C 1 1 23 12689 1 1 8 SER CA C 5.869 8.759 -2.212 1.00 . A A . 52 SER CA 1 1 23 12690 1 1 8 SER CB C 5.964 8.971 -3.721 1.00 . A A . 52 SER CB 1 1 23 12691 1 1 8 SER H H 7.111 7.028 -2.534 1.00 . A A . 52 SER H 1 1 23 12692 1 1 8 SER HA H 6.071 9.685 -1.695 1.00 . A A . 52 SER HA 1 1 23 12693 1 1 8 SER HB2 H 6.993 8.909 -4.032 1.00 . A A . 52 SER HB2 1 1 23 12694 1 1 8 SER HB3 H 5.390 8.206 -4.228 1.00 . A A . 52 SER HB3 1 1 23 12695 1 1 8 SER HG H 4.802 10.496 -3.385 1.00 . A A . 52 SER HG 1 1 23 12696 1 1 8 SER N N 6.919 7.747 -1.897 1.00 . A A . 52 SER N 1 1 23 12697 1 1 8 SER O O 3.486 8.583 -2.417 1.00 . A A . 52 SER O 1 1 23 12698 1 1 8 SER OG O 5.453 10.258 -4.047 1.00 . A A . 52 SER OG 1 1 23 12699 1 1 9 SER C C 2.416 6.129 -1.621 1.00 . A A . 53 SER C 1 1 23 12700 1 1 9 SER CA C 3.107 6.802 -0.432 1.00 . A A . 53 SER CA 1 1 23 12701 1 1 9 SER CB C 2.298 8.008 0.045 1.00 . A A . 53 SER CB 1 1 23 12702 1 1 9 SER H H 5.243 7.084 -0.390 1.00 . A A . 53 SER H 1 1 23 12703 1 1 9 SER HA H 3.235 6.100 0.377 1.00 . A A . 53 SER HA 1 1 23 12704 1 1 9 SER HB2 H 2.197 8.717 -0.758 1.00 . A A . 53 SER HB2 1 1 23 12705 1 1 9 SER HB3 H 1.316 7.680 0.359 1.00 . A A . 53 SER HB3 1 1 23 12706 1 1 9 SER HG H 2.676 8.207 1.943 1.00 . A A . 53 SER HG 1 1 23 12707 1 1 9 SER N N 4.424 7.362 -0.850 1.00 . A A . 53 SER N 1 1 23 12708 1 1 9 SER O O 1.511 6.685 -2.212 1.00 . A A . 53 SER O 1 1 23 12709 1 1 9 SER OG O 2.975 8.626 1.132 1.00 . A A . 53 SER OG 1 1 23 12710 1 1 10 PRO C C 0.904 3.655 -2.694 1.00 . A A . 54 PRO C 1 1 23 12711 1 1 10 PRO CA C 2.294 4.179 -3.062 1.00 . A A . 54 PRO CA 1 1 23 12712 1 1 10 PRO CB C 3.272 3.023 -3.255 1.00 . A A . 54 PRO CB 1 1 23 12713 1 1 10 PRO CD C 3.957 4.220 -1.264 1.00 . A A . 54 PRO CD 1 1 23 12714 1 1 10 PRO CG C 3.979 2.875 -1.943 1.00 . A A . 54 PRO CG 1 1 23 12715 1 1 10 PRO HA H 2.253 4.784 -3.954 1.00 . A A . 54 PRO HA 1 1 23 12716 1 1 10 PRO HB2 H 2.733 2.115 -3.498 1.00 . A A . 54 PRO HB2 1 1 23 12717 1 1 10 PRO HB3 H 3.983 3.258 -4.033 1.00 . A A . 54 PRO HB3 1 1 23 12718 1 1 10 PRO HD2 H 3.747 4.106 -0.208 1.00 . A A . 54 PRO HD2 1 1 23 12719 1 1 10 PRO HD3 H 4.894 4.735 -1.411 1.00 . A A . 54 PRO HD3 1 1 23 12720 1 1 10 PRO HG2 H 3.467 2.144 -1.332 1.00 . A A . 54 PRO HG2 1 1 23 12721 1 1 10 PRO HG3 H 5.000 2.569 -2.109 1.00 . A A . 54 PRO HG3 1 1 23 12722 1 1 10 PRO N N 2.872 4.945 -1.931 1.00 . A A . 54 PRO N 1 1 23 12723 1 1 10 PRO O O 0.237 3.023 -3.489 1.00 . A A . 54 PRO O 1 1 23 12724 1 1 11 CYS C C -1.909 4.545 -1.185 1.00 . A A . 55 CYS C 1 1 23 12725 1 1 11 CYS CA C -0.879 3.418 -1.068 1.00 . A A . 55 CYS CA 1 1 23 12726 1 1 11 CYS CB C -0.713 2.992 0.395 1.00 . A A . 55 CYS CB 1 1 23 12727 1 1 11 CYS H H 1.021 4.414 -0.864 1.00 . A A . 55 CYS H 1 1 23 12728 1 1 11 CYS HA H -1.177 2.571 -1.667 1.00 . A A . 55 CYS HA 1 1 23 12729 1 1 11 CYS HB2 H -0.715 3.869 1.026 1.00 . A A . 55 CYS HB2 1 1 23 12730 1 1 11 CYS HB3 H -1.533 2.344 0.675 1.00 . A A . 55 CYS HB3 1 1 23 12731 1 1 11 CYS N N 0.465 3.907 -1.492 1.00 . A A . 55 CYS N 1 1 23 12732 1 1 11 CYS O O -1.563 5.708 -1.263 1.00 . A A . 55 CYS O 1 1 23 12733 1 1 11 CYS SG S 0.855 2.103 0.607 1.00 . A A . 55 CYS SG 1 1 23 12734 1 1 12 GLN C C -5.400 4.961 -0.399 1.00 . A A . 56 GLN C 1 1 23 12735 1 1 12 GLN CA C -4.216 5.269 -1.318 1.00 . A A . 56 GLN CA 1 1 23 12736 1 1 12 GLN CB C -4.656 5.230 -2.781 1.00 . A A . 56 GLN CB 1 1 23 12737 1 1 12 GLN CD C -3.798 5.243 -5.125 1.00 . A A . 56 GLN CD 1 1 23 12738 1 1 12 GLN CG C -3.476 5.604 -3.675 1.00 . A A . 56 GLN CG 1 1 23 12739 1 1 12 GLN H H -3.433 3.275 -1.141 1.00 . A A . 56 GLN H 1 1 23 12740 1 1 12 GLN HA H -3.799 6.234 -1.086 1.00 . A A . 56 GLN HA 1 1 23 12741 1 1 12 GLN HB2 H -4.997 4.235 -3.028 1.00 . A A . 56 GLN HB2 1 1 23 12742 1 1 12 GLN HB3 H -5.460 5.935 -2.935 1.00 . A A . 56 GLN HB3 1 1 23 12743 1 1 12 GLN HE21 H -2.566 3.684 -5.154 1.00 . A A . 56 GLN HE21 1 1 23 12744 1 1 12 GLN HE22 H -3.412 3.975 -6.607 1.00 . A A . 56 GLN HE22 1 1 23 12745 1 1 12 GLN HG2 H -3.291 6.665 -3.598 1.00 . A A . 56 GLN HG2 1 1 23 12746 1 1 12 GLN HG3 H -2.599 5.060 -3.357 1.00 . A A . 56 GLN HG3 1 1 23 12747 1 1 12 GLN N N -3.172 4.214 -1.202 1.00 . A A . 56 GLN N 1 1 23 12748 1 1 12 GLN NE2 N -3.210 4.216 -5.675 1.00 . A A . 56 GLN NE2 1 1 23 12749 1 1 12 GLN O O -5.416 3.969 0.302 1.00 . A A . 56 GLN O 1 1 23 12750 1 1 12 GLN OE1 O -4.594 5.901 -5.766 1.00 . A A . 56 GLN OE1 1 1 23 12751 1 1 13 ASN C C -7.156 5.436 1.928 1.00 . A A . 57 ASN C 1 1 23 12752 1 1 13 ASN CA C -7.582 5.575 0.466 1.00 . A A . 57 ASN CA 1 1 23 12753 1 1 13 ASN CB C -8.194 4.271 -0.044 1.00 . A A . 57 ASN CB 1 1 23 12754 1 1 13 ASN CG C -8.736 4.480 -1.460 1.00 . A A . 57 ASN CG 1 1 23 12755 1 1 13 ASN H H -6.354 6.600 -0.979 1.00 . A A . 57 ASN H 1 1 23 12756 1 1 13 ASN HA H -8.289 6.381 0.356 1.00 . A A . 57 ASN HA 1 1 23 12757 1 1 13 ASN HB2 H -7.437 3.500 -0.057 1.00 . A A . 57 ASN HB2 1 1 23 12758 1 1 13 ASN HB3 H -9.001 3.973 0.607 1.00 . A A . 57 ASN HB3 1 1 23 12759 1 1 13 ASN HD21 H -7.519 3.134 -2.273 1.00 . A A . 57 ASN HD21 1 1 23 12760 1 1 13 ASN HD22 H -8.579 3.914 -3.359 1.00 . A A . 57 ASN HD22 1 1 23 12761 1 1 13 ASN N N -6.391 5.809 -0.402 1.00 . A A . 57 ASN N 1 1 23 12762 1 1 13 ASN ND2 N -8.236 3.785 -2.445 1.00 . A A . 57 ASN ND2 1 1 23 12763 1 1 13 ASN O O -7.675 4.618 2.661 1.00 . A A . 57 ASN O 1 1 23 12764 1 1 13 ASN OD1 O -9.622 5.283 -1.671 1.00 . A A . 57 ASN OD1 1 1 23 12765 1 1 14 GLY C C -5.176 4.767 4.057 1.00 . A A . 58 GLY C 1 1 23 12766 1 1 14 GLY CA C -5.761 6.153 3.775 1.00 . A A . 58 GLY CA 1 1 23 12767 1 1 14 GLY H H -5.818 6.888 1.751 1.00 . A A . 58 GLY H 1 1 23 12768 1 1 14 GLY HA2 H -5.007 6.906 3.951 1.00 . A A . 58 GLY HA2 1 1 23 12769 1 1 14 GLY HA3 H -6.600 6.325 4.433 1.00 . A A . 58 GLY HA3 1 1 23 12770 1 1 14 GLY N N -6.218 6.232 2.359 1.00 . A A . 58 GLY N 1 1 23 12771 1 1 14 GLY O O -5.206 4.288 5.173 1.00 . A A . 58 GLY O 1 1 23 12772 1 1 15 GLY C C -2.586 2.920 3.700 1.00 . A A . 59 GLY C 1 1 23 12773 1 1 15 GLY CA C -4.050 2.768 3.283 1.00 . A A . 59 GLY CA 1 1 23 12774 1 1 15 GLY H H -4.620 4.522 2.165 1.00 . A A . 59 GLY H 1 1 23 12775 1 1 15 GLY HA2 H -4.601 2.263 4.066 1.00 . A A . 59 GLY HA2 1 1 23 12776 1 1 15 GLY HA3 H -4.106 2.193 2.370 1.00 . A A . 59 GLY HA3 1 1 23 12777 1 1 15 GLY N N -4.640 4.120 3.059 1.00 . A A . 59 GLY N 1 1 23 12778 1 1 15 GLY O O -1.880 3.782 3.217 1.00 . A A . 59 GLY O 1 1 23 12779 1 1 16 SER C C 0.224 1.536 4.019 1.00 . A A . 60 SER C 1 1 23 12780 1 1 16 SER CA C -0.704 2.194 5.043 1.00 . A A . 60 SER CA 1 1 23 12781 1 1 16 SER CB C -0.653 1.444 6.373 1.00 . A A . 60 SER CB 1 1 23 12782 1 1 16 SER H H -2.709 1.403 4.976 1.00 . A A . 60 SER H 1 1 23 12783 1 1 16 SER HA H -0.429 3.227 5.192 1.00 . A A . 60 SER HA 1 1 23 12784 1 1 16 SER HB2 H -0.892 0.406 6.213 1.00 . A A . 60 SER HB2 1 1 23 12785 1 1 16 SER HB3 H 0.342 1.522 6.792 1.00 . A A . 60 SER HB3 1 1 23 12786 1 1 16 SER HG H -2.403 1.481 7.224 1.00 . A A . 60 SER HG 1 1 23 12787 1 1 16 SER N N -2.124 2.091 4.596 1.00 . A A . 60 SER N 1 1 23 12788 1 1 16 SER O O -0.222 0.894 3.089 1.00 . A A . 60 SER O 1 1 23 12789 1 1 16 SER OG O -1.602 2.009 7.268 1.00 . A A . 60 SER OG 1 1 23 12790 1 1 17 CYS C C 3.394 0.091 3.936 1.00 . A A . 61 CYS C 1 1 23 12791 1 1 17 CYS CA C 2.464 1.072 3.214 1.00 . A A . 61 CYS CA 1 1 23 12792 1 1 17 CYS CB C 3.259 2.246 2.635 1.00 . A A . 61 CYS CB 1 1 23 12793 1 1 17 CYS H H 1.849 2.211 4.938 1.00 . A A . 61 CYS H 1 1 23 12794 1 1 17 CYS HA H 1.926 0.569 2.426 1.00 . A A . 61 CYS HA 1 1 23 12795 1 1 17 CYS HB2 H 3.941 1.882 1.881 1.00 . A A . 61 CYS HB2 1 1 23 12796 1 1 17 CYS HB3 H 2.580 2.957 2.191 1.00 . A A . 61 CYS HB3 1 1 23 12797 1 1 17 CYS N N 1.510 1.690 4.181 1.00 . A A . 61 CYS N 1 1 23 12798 1 1 17 CYS O O 4.161 0.468 4.800 1.00 . A A . 61 CYS O 1 1 23 12799 1 1 17 CYS SG S 4.199 3.057 3.953 1.00 . A A . 61 CYS SG 1 1 23 12800 1 1 18 LYS C C 5.413 -2.502 3.369 1.00 . A A . 62 LYS C 1 1 23 12801 1 1 18 LYS CA C 4.222 -2.159 4.264 1.00 . A A . 62 LYS CA 1 1 23 12802 1 1 18 LYS CB C 3.353 -3.395 4.477 1.00 . A A . 62 LYS CB 1 1 23 12803 1 1 18 LYS CD C 3.181 -4.894 6.462 1.00 . A A . 62 LYS CD 1 1 23 12804 1 1 18 LYS CE C 4.008 -5.214 7.709 1.00 . A A . 62 LYS CE 1 1 23 12805 1 1 18 LYS CG C 4.104 -4.401 5.348 1.00 . A A . 62 LYS CG 1 1 23 12806 1 1 18 LYS H H 2.709 -1.458 2.893 1.00 . A A . 62 LYS H 1 1 23 12807 1 1 18 LYS HA H 4.561 -1.779 5.215 1.00 . A A . 62 LYS HA 1 1 23 12808 1 1 18 LYS HB2 H 2.432 -3.110 4.964 1.00 . A A . 62 LYS HB2 1 1 23 12809 1 1 18 LYS HB3 H 3.134 -3.846 3.524 1.00 . A A . 62 LYS HB3 1 1 23 12810 1 1 18 LYS HD2 H 2.459 -4.124 6.694 1.00 . A A . 62 LYS HD2 1 1 23 12811 1 1 18 LYS HD3 H 2.666 -5.785 6.135 1.00 . A A . 62 LYS HD3 1 1 23 12812 1 1 18 LYS HE2 H 4.918 -5.731 7.433 1.00 . A A . 62 LYS HE2 1 1 23 12813 1 1 18 LYS HE3 H 4.238 -4.309 8.251 1.00 . A A . 62 LYS HE3 1 1 23 12814 1 1 18 LYS HG2 H 4.419 -5.240 4.740 1.00 . A A . 62 LYS HG2 1 1 23 12815 1 1 18 LYS HG3 H 4.971 -3.927 5.784 1.00 . A A . 62 LYS HG3 1 1 23 12816 1 1 18 LYS HZ1 H 2.138 -5.905 8.305 1.00 . A A . 62 LYS HZ1 1 1 23 12817 1 1 18 LYS HZ2 H 3.356 -7.090 8.330 1.00 . A A . 62 LYS HZ2 1 1 23 12818 1 1 18 LYS HZ3 H 3.303 -5.905 9.542 1.00 . A A . 62 LYS HZ3 1 1 23 12819 1 1 18 LYS N N 3.335 -1.166 3.591 1.00 . A A . 62 LYS N 1 1 23 12820 1 1 18 LYS NZ N 3.136 -6.095 8.534 1.00 . A A . 62 LYS NZ 1 1 23 12821 1 1 18 LYS O O 5.313 -2.510 2.158 1.00 . A A . 62 LYS O 1 1 23 12822 1 1 19 ASP C C 8.061 -4.634 3.312 1.00 . A A . 63 ASP C 1 1 23 12823 1 1 19 ASP CA C 7.736 -3.148 3.144 1.00 . A A . 63 ASP CA 1 1 23 12824 1 1 19 ASP CB C 8.865 -2.283 3.706 1.00 . A A . 63 ASP CB 1 1 23 12825 1 1 19 ASP CG C 9.000 -2.533 5.208 1.00 . A A . 63 ASP CG 1 1 23 12826 1 1 19 ASP H H 6.595 -2.791 4.936 1.00 . A A . 63 ASP H 1 1 23 12827 1 1 19 ASP HA H 7.570 -2.912 2.106 1.00 . A A . 63 ASP HA 1 1 23 12828 1 1 19 ASP HB2 H 9.793 -2.540 3.213 1.00 . A A . 63 ASP HB2 1 1 23 12829 1 1 19 ASP HB3 H 8.641 -1.242 3.534 1.00 . A A . 63 ASP HB3 1 1 23 12830 1 1 19 ASP N N 6.539 -2.796 3.957 1.00 . A A . 63 ASP N 1 1 23 12831 1 1 19 ASP O O 8.513 -5.066 4.354 1.00 . A A . 63 ASP O 1 1 23 12832 1 1 19 ASP OD1 O 8.271 -1.907 5.961 1.00 . A A . 63 ASP OD1 1 1 23 12833 1 1 19 ASP OD2 O 9.830 -3.345 5.583 1.00 . A A . 63 ASP OD2 1 1 23 12834 1 1 20 GLN C C 9.452 -7.202 1.679 1.00 . A A . 64 GLN C 1 1 23 12835 1 1 20 GLN CA C 8.142 -6.882 2.406 1.00 . A A . 64 GLN CA 1 1 23 12836 1 1 20 GLN CB C 6.963 -7.650 1.767 1.00 . A A . 64 GLN CB 1 1 23 12837 1 1 20 GLN CD C 4.696 -7.514 0.718 1.00 . A A . 64 GLN CD 1 1 23 12838 1 1 20 GLN CG C 5.871 -6.698 1.260 1.00 . A A . 64 GLN CG 1 1 23 12839 1 1 20 GLN H H 7.479 -5.051 1.462 1.00 . A A . 64 GLN H 1 1 23 12840 1 1 20 GLN HA H 8.229 -7.156 3.447 1.00 . A A . 64 GLN HA 1 1 23 12841 1 1 20 GLN HB2 H 7.332 -8.233 0.936 1.00 . A A . 64 GLN HB2 1 1 23 12842 1 1 20 GLN HB3 H 6.538 -8.316 2.503 1.00 . A A . 64 GLN HB3 1 1 23 12843 1 1 20 GLN HE21 H 5.197 -7.230 -1.185 1.00 . A A . 64 GLN HE21 1 1 23 12844 1 1 20 GLN HE22 H 3.800 -8.174 -0.930 1.00 . A A . 64 GLN HE22 1 1 23 12845 1 1 20 GLN HG2 H 5.529 -6.072 2.074 1.00 . A A . 64 GLN HG2 1 1 23 12846 1 1 20 GLN HG3 H 6.269 -6.078 0.472 1.00 . A A . 64 GLN HG3 1 1 23 12847 1 1 20 GLN N N 7.839 -5.421 2.295 1.00 . A A . 64 GLN N 1 1 23 12848 1 1 20 GLN NE2 N 4.553 -7.651 -0.572 1.00 . A A . 64 GLN NE2 1 1 23 12849 1 1 20 GLN O O 10.082 -6.339 1.101 1.00 . A A . 64 GLN O 1 1 23 12850 1 1 20 GLN OE1 O 3.900 -8.033 1.475 1.00 . A A . 64 GLN OE1 1 1 23 12851 1 1 21 LEU C C 10.950 -8.945 -0.469 1.00 . A A . 65 LEU C 1 1 23 12852 1 1 21 LEU CA C 11.152 -8.815 1.040 1.00 . A A . 65 LEU CA 1 1 23 12853 1 1 21 LEU CB C 11.541 -10.162 1.650 1.00 . A A . 65 LEU CB 1 1 23 12854 1 1 21 LEU CD1 C 13.317 -11.003 3.192 1.00 . A A . 65 LEU CD1 1 1 23 12855 1 1 21 LEU CD2 C 13.781 -10.801 0.746 1.00 . A A . 65 LEU CD2 1 1 23 12856 1 1 21 LEU CG C 13.044 -10.177 1.934 1.00 . A A . 65 LEU CG 1 1 23 12857 1 1 21 LEU H H 9.355 -9.116 2.196 1.00 . A A . 65 LEU H 1 1 23 12858 1 1 21 LEU HA H 11.909 -8.085 1.249 1.00 . A A . 65 LEU HA 1 1 23 12859 1 1 21 LEU HB2 H 10.998 -10.310 2.571 1.00 . A A . 65 LEU HB2 1 1 23 12860 1 1 21 LEU HB3 H 11.300 -10.953 0.957 1.00 . A A . 65 LEU HB3 1 1 23 12861 1 1 21 LEU HD11 H 12.781 -11.938 3.133 1.00 . A A . 65 LEU HD11 1 1 23 12862 1 1 21 LEU HD12 H 14.376 -11.201 3.270 1.00 . A A . 65 LEU HD12 1 1 23 12863 1 1 21 LEU HD13 H 12.989 -10.453 4.062 1.00 . A A . 65 LEU HD13 1 1 23 12864 1 1 21 LEU HD21 H 13.468 -10.315 -0.166 1.00 . A A . 65 LEU HD21 1 1 23 12865 1 1 21 LEU HD22 H 14.845 -10.673 0.876 1.00 . A A . 65 LEU HD22 1 1 23 12866 1 1 21 LEU HD23 H 13.548 -11.854 0.691 1.00 . A A . 65 LEU HD23 1 1 23 12867 1 1 21 LEU HG H 13.392 -9.165 2.085 1.00 . A A . 65 LEU HG 1 1 23 12868 1 1 21 LEU N N 9.874 -8.438 1.716 1.00 . A A . 65 LEU N 1 1 23 12869 1 1 21 LEU O O 11.884 -8.865 -1.242 1.00 . A A . 65 LEU O 1 1 23 12870 1 1 22 GLN C C 9.115 -7.899 -2.931 1.00 . A A . 66 GLN C 1 1 23 12871 1 1 22 GLN CA C 9.469 -9.269 -2.352 1.00 . A A . 66 GLN CA 1 1 23 12872 1 1 22 GLN CB C 8.277 -10.221 -2.455 1.00 . A A . 66 GLN CB 1 1 23 12873 1 1 22 GLN CD C 7.325 -12.373 -1.613 1.00 . A A . 66 GLN CD 1 1 23 12874 1 1 22 GLN CG C 8.584 -11.507 -1.683 1.00 . A A . 66 GLN CG 1 1 23 12875 1 1 22 GLN H H 9.006 -9.194 -0.247 1.00 . A A . 66 GLN H 1 1 23 12876 1 1 22 GLN HA H 10.323 -9.686 -2.860 1.00 . A A . 66 GLN HA 1 1 23 12877 1 1 22 GLN HB2 H 7.401 -9.748 -2.034 1.00 . A A . 66 GLN HB2 1 1 23 12878 1 1 22 GLN HB3 H 8.095 -10.460 -3.492 1.00 . A A . 66 GLN HB3 1 1 23 12879 1 1 22 GLN HE21 H 8.245 -13.889 -0.721 1.00 . A A . 66 GLN HE21 1 1 23 12880 1 1 22 GLN HE22 H 6.592 -14.122 -1.025 1.00 . A A . 66 GLN HE22 1 1 23 12881 1 1 22 GLN HG2 H 9.368 -12.051 -2.189 1.00 . A A . 66 GLN HG2 1 1 23 12882 1 1 22 GLN HG3 H 8.904 -11.259 -0.683 1.00 . A A . 66 GLN HG3 1 1 23 12883 1 1 22 GLN N N 9.738 -9.139 -0.891 1.00 . A A . 66 GLN N 1 1 23 12884 1 1 22 GLN NE2 N 7.393 -13.560 -1.075 1.00 . A A . 66 GLN NE2 1 1 23 12885 1 1 22 GLN O O 9.350 -7.617 -4.089 1.00 . A A . 66 GLN O 1 1 23 12886 1 1 22 GLN OE1 O 6.267 -11.966 -2.052 1.00 . A A . 66 GLN OE1 1 1 23 12887 1 1 23 SER C C 7.515 -4.919 -1.441 1.00 . A A . 67 SER C 1 1 23 12888 1 1 23 SER CA C 8.177 -5.684 -2.593 1.00 . A A . 67 SER CA 1 1 23 12889 1 1 23 SER CB C 7.196 -5.919 -3.744 1.00 . A A . 67 SER CB 1 1 23 12890 1 1 23 SER H H 8.380 -7.301 -1.191 1.00 . A A . 67 SER H 1 1 23 12891 1 1 23 SER HA H 9.047 -5.155 -2.949 1.00 . A A . 67 SER HA 1 1 23 12892 1 1 23 SER HB2 H 7.700 -6.417 -4.554 1.00 . A A . 67 SER HB2 1 1 23 12893 1 1 23 SER HB3 H 6.378 -6.536 -3.398 1.00 . A A . 67 SER HB3 1 1 23 12894 1 1 23 SER HG H 6.282 -4.807 -5.054 1.00 . A A . 67 SER HG 1 1 23 12895 1 1 23 SER N N 8.554 -7.046 -2.121 1.00 . A A . 67 SER N 1 1 23 12896 1 1 23 SER O O 8.149 -4.618 -0.450 1.00 . A A . 67 SER O 1 1 23 12897 1 1 23 SER OG O 6.702 -4.666 -4.201 1.00 . A A . 67 SER OG 1 1 23 12898 1 1 24 TYR C C 4.054 -4.041 -0.566 1.00 . A A . 68 TYR C 1 1 23 12899 1 1 24 TYR CA C 5.568 -3.883 -0.437 1.00 . A A . 68 TYR CA 1 1 23 12900 1 1 24 TYR CB C 5.982 -2.423 -0.595 1.00 . A A . 68 TYR CB 1 1 23 12901 1 1 24 TYR CD1 C 6.368 -2.148 -3.070 1.00 . A A . 68 TYR CD1 1 1 23 12902 1 1 24 TYR CD2 C 4.349 -1.225 -2.095 1.00 . A A . 68 TYR CD2 1 1 23 12903 1 1 24 TYR CE1 C 5.973 -1.681 -4.330 1.00 . A A . 68 TYR CE1 1 1 23 12904 1 1 24 TYR CE2 C 3.955 -0.757 -3.355 1.00 . A A . 68 TYR CE2 1 1 23 12905 1 1 24 TYR CG C 5.556 -1.921 -1.953 1.00 . A A . 68 TYR CG 1 1 23 12906 1 1 24 TYR CZ C 4.767 -0.986 -4.471 1.00 . A A . 68 TYR CZ 1 1 23 12907 1 1 24 TYR H H 5.742 -4.864 -2.343 1.00 . A A . 68 TYR H 1 1 23 12908 1 1 24 TYR HA H 5.904 -4.257 0.517 1.00 . A A . 68 TYR HA 1 1 23 12909 1 1 24 TYR HB2 H 5.507 -1.831 0.175 1.00 . A A . 68 TYR HB2 1 1 23 12910 1 1 24 TYR HB3 H 7.056 -2.347 -0.501 1.00 . A A . 68 TYR HB3 1 1 23 12911 1 1 24 TYR HD1 H 7.299 -2.686 -2.960 1.00 . A A . 68 TYR HD1 1 1 23 12912 1 1 24 TYR HD2 H 3.721 -1.050 -1.234 1.00 . A A . 68 TYR HD2 1 1 23 12913 1 1 24 TYR HE1 H 6.600 -1.858 -5.191 1.00 . A A . 68 TYR HE1 1 1 23 12914 1 1 24 TYR HE2 H 3.025 -0.219 -3.465 1.00 . A A . 68 TYR HE2 1 1 23 12915 1 1 24 TYR HH H 4.043 0.368 -5.607 1.00 . A A . 68 TYR HH 1 1 23 12916 1 1 24 TYR N N 6.249 -4.610 -1.546 1.00 . A A . 68 TYR N 1 1 23 12917 1 1 24 TYR O O 3.515 -4.084 -1.654 1.00 . A A . 68 TYR O 1 1 23 12918 1 1 24 TYR OH O 4.379 -0.525 -5.713 1.00 . A A . 68 TYR OH 1 1 23 12919 1 1 25 ILE C C 1.201 -3.262 1.365 1.00 . A A . 69 ILE C 1 1 23 12920 1 1 25 ILE CA C 1.887 -4.298 0.471 1.00 . A A . 69 ILE CA 1 1 23 12921 1 1 25 ILE CB C 1.639 -5.714 0.984 1.00 . A A . 69 ILE CB 1 1 23 12922 1 1 25 ILE CD1 C -0.004 -7.569 0.874 1.00 . A A . 69 ILE CD1 1 1 23 12923 1 1 25 ILE CG1 C 0.158 -6.052 0.858 1.00 . A A . 69 ILE CG1 1 1 23 12924 1 1 25 ILE CG2 C 2.059 -5.813 2.450 1.00 . A A . 69 ILE CG2 1 1 23 12925 1 1 25 ILE H H 3.814 -4.104 1.402 1.00 . A A . 69 ILE H 1 1 23 12926 1 1 25 ILE HA H 1.539 -4.210 -0.546 1.00 . A A . 69 ILE HA 1 1 23 12927 1 1 25 ILE HB H 2.219 -6.412 0.398 1.00 . A A . 69 ILE HB 1 1 23 12928 1 1 25 ILE HD11 H 0.959 -8.025 1.059 1.00 . A A . 69 ILE HD11 1 1 23 12929 1 1 25 ILE HD12 H -0.693 -7.849 1.655 1.00 . A A . 69 ILE HD12 1 1 23 12930 1 1 25 ILE HD13 H -0.383 -7.900 -0.081 1.00 . A A . 69 ILE HD13 1 1 23 12931 1 1 25 ILE HG12 H -0.383 -5.620 1.687 1.00 . A A . 69 ILE HG12 1 1 23 12932 1 1 25 ILE HG13 H -0.225 -5.659 -0.070 1.00 . A A . 69 ILE HG13 1 1 23 12933 1 1 25 ILE HG21 H 3.069 -5.449 2.561 1.00 . A A . 69 ILE HG21 1 1 23 12934 1 1 25 ILE HG22 H 1.393 -5.218 3.057 1.00 . A A . 69 ILE HG22 1 1 23 12935 1 1 25 ILE HG23 H 2.011 -6.844 2.768 1.00 . A A . 69 ILE HG23 1 1 23 12936 1 1 25 ILE N N 3.363 -4.134 0.533 1.00 . A A . 69 ILE N 1 1 23 12937 1 1 25 ILE O O 1.441 -3.194 2.552 1.00 . A A . 69 ILE O 1 1 23 12938 1 1 26 CYS C C -1.499 -2.029 2.398 1.00 . A A . 70 CYS C 1 1 23 12939 1 1 26 CYS CA C -0.329 -1.416 1.627 1.00 . A A . 70 CYS CA 1 1 23 12940 1 1 26 CYS CB C -0.841 -0.388 0.627 1.00 . A A . 70 CYS CB 1 1 23 12941 1 1 26 CYS H H 0.177 -2.508 -0.156 1.00 . A A . 70 CYS H 1 1 23 12942 1 1 26 CYS HA H 0.366 -0.953 2.303 1.00 . A A . 70 CYS HA 1 1 23 12943 1 1 26 CYS HB2 H -1.518 -0.866 -0.063 1.00 . A A . 70 CYS HB2 1 1 23 12944 1 1 26 CYS HB3 H -1.357 0.396 1.157 1.00 . A A . 70 CYS HB3 1 1 23 12945 1 1 26 CYS N N 0.356 -2.449 0.804 1.00 . A A . 70 CYS N 1 1 23 12946 1 1 26 CYS O O -2.272 -2.801 1.865 1.00 . A A . 70 CYS O 1 1 23 12947 1 1 26 CYS SG S 0.550 0.320 -0.286 1.00 . A A . 70 CYS SG 1 1 23 12948 1 1 27 PHE C C -3.964 -1.281 4.376 1.00 . A A . 71 PHE C 1 1 23 12949 1 1 27 PHE CA C -2.769 -2.232 4.449 1.00 . A A . 71 PHE CA 1 1 23 12950 1 1 27 PHE CB C -2.240 -2.320 5.879 1.00 . A A . 71 PHE CB 1 1 23 12951 1 1 27 PHE CD1 C -0.366 -3.934 5.395 1.00 . A A . 71 PHE CD1 1 1 23 12952 1 1 27 PHE CD2 C -2.102 -4.597 6.952 1.00 . A A . 71 PHE CD2 1 1 23 12953 1 1 27 PHE CE1 C 0.272 -5.167 5.581 1.00 . A A . 71 PHE CE1 1 1 23 12954 1 1 27 PHE CE2 C -1.465 -5.830 7.137 1.00 . A A . 71 PHE CE2 1 1 23 12955 1 1 27 PHE CG C -1.552 -3.650 6.080 1.00 . A A . 71 PHE CG 1 1 23 12956 1 1 27 PHE CZ C -0.279 -6.115 6.452 1.00 . A A . 71 PHE CZ 1 1 23 12957 1 1 27 PHE H H -1.013 -1.050 4.054 1.00 . A A . 71 PHE H 1 1 23 12958 1 1 27 PHE HA H -3.043 -3.213 4.093 1.00 . A A . 71 PHE HA 1 1 23 12959 1 1 27 PHE HB2 H -1.534 -1.519 6.052 1.00 . A A . 71 PHE HB2 1 1 23 12960 1 1 27 PHE HB3 H -3.065 -2.234 6.571 1.00 . A A . 71 PHE HB3 1 1 23 12961 1 1 27 PHE HD1 H 0.059 -3.203 4.722 1.00 . A A . 71 PHE HD1 1 1 23 12962 1 1 27 PHE HD2 H -3.018 -4.378 7.480 1.00 . A A . 71 PHE HD2 1 1 23 12963 1 1 27 PHE HE1 H 1.188 -5.387 5.053 1.00 . A A . 71 PHE HE1 1 1 23 12964 1 1 27 PHE HE2 H -1.890 -6.561 7.810 1.00 . A A . 71 PHE HE2 1 1 23 12965 1 1 27 PHE HZ H 0.213 -7.066 6.595 1.00 . A A . 71 PHE HZ 1 1 23 12966 1 1 27 PHE N N -1.642 -1.681 3.647 1.00 . A A . 71 PHE N 1 1 23 12967 1 1 27 PHE O O -4.180 -0.467 5.253 1.00 . A A . 71 PHE O 1 1 23 12968 1 1 28 CYS C C -6.900 -0.697 4.339 1.00 . A A . 72 CYS C 1 1 23 12969 1 1 28 CYS CA C -5.915 -0.470 3.189 1.00 . A A . 72 CYS CA 1 1 23 12970 1 1 28 CYS CB C -6.552 -0.855 1.854 1.00 . A A . 72 CYS CB 1 1 23 12971 1 1 28 CYS H H -4.538 -2.033 2.637 1.00 . A A . 72 CYS H 1 1 23 12972 1 1 28 CYS HA H -5.598 0.560 3.163 1.00 . A A . 72 CYS HA 1 1 23 12973 1 1 28 CYS HB2 H -6.988 -1.840 1.935 1.00 . A A . 72 CYS HB2 1 1 23 12974 1 1 28 CYS HB3 H -7.324 -0.138 1.604 1.00 . A A . 72 CYS HB3 1 1 23 12975 1 1 28 CYS N N -4.736 -1.373 3.331 1.00 . A A . 72 CYS N 1 1 23 12976 1 1 28 CYS O O -6.550 -1.222 5.377 1.00 . A A . 72 CYS O 1 1 23 12977 1 1 28 CYS SG S -5.289 -0.860 0.557 1.00 . A A . 72 CYS SG 1 1 23 12978 1 1 29 LEU C C -10.245 -1.437 4.757 1.00 . A A . 73 LEU C 1 1 23 12979 1 1 29 LEU CA C -9.142 -0.489 5.238 1.00 . A A . 73 LEU CA 1 1 23 12980 1 1 29 LEU CB C -9.704 0.911 5.501 1.00 . A A . 73 LEU CB 1 1 23 12981 1 1 29 LEU CD1 C -8.482 2.654 4.182 1.00 . A A . 73 LEU CD1 1 1 23 12982 1 1 29 LEU CD2 C -8.811 2.953 6.641 1.00 . A A . 73 LEU CD2 1 1 23 12983 1 1 29 LEU CG C -8.559 1.929 5.528 1.00 . A A . 73 LEU CG 1 1 23 12984 1 1 29 LEU H H -8.389 0.121 3.315 1.00 . A A . 73 LEU H 1 1 23 12985 1 1 29 LEU HA H -8.675 -0.874 6.131 1.00 . A A . 73 LEU HA 1 1 23 12986 1 1 29 LEU HB2 H -10.401 1.171 4.718 1.00 . A A . 73 LEU HB2 1 1 23 12987 1 1 29 LEU HB3 H -10.212 0.921 6.452 1.00 . A A . 73 LEU HB3 1 1 23 12988 1 1 29 LEU HD11 H -8.706 1.961 3.386 1.00 . A A . 73 LEU HD11 1 1 23 12989 1 1 29 LEU HD12 H -9.197 3.464 4.168 1.00 . A A . 73 LEU HD12 1 1 23 12990 1 1 29 LEU HD13 H -7.486 3.051 4.044 1.00 . A A . 73 LEU HD13 1 1 23 12991 1 1 29 LEU HD21 H -9.801 3.370 6.529 1.00 . A A . 73 LEU HD21 1 1 23 12992 1 1 29 LEU HD22 H -8.731 2.467 7.603 1.00 . A A . 73 LEU HD22 1 1 23 12993 1 1 29 LEU HD23 H -8.078 3.742 6.576 1.00 . A A . 73 LEU HD23 1 1 23 12994 1 1 29 LEU HG H -7.626 1.415 5.714 1.00 . A A . 73 LEU HG 1 1 23 12995 1 1 29 LEU N N -8.130 -0.301 4.160 1.00 . A A . 73 LEU N 1 1 23 12996 1 1 29 LEU O O -10.175 -1.960 3.662 1.00 . A A . 73 LEU O 1 1 23 12997 1 1 30 PRO C C -13.103 -2.005 4.017 1.00 . A A . 74 PRO C 1 1 23 12998 1 1 30 PRO CA C -12.356 -2.533 5.245 1.00 . A A . 74 PRO CA 1 1 23 12999 1 1 30 PRO CB C -13.257 -2.504 6.483 1.00 . A A . 74 PRO CB 1 1 23 13000 1 1 30 PRO CD C -11.383 -1.046 6.926 1.00 . A A . 74 PRO CD 1 1 23 13001 1 1 30 PRO CG C -12.419 -1.919 7.578 1.00 . A A . 74 PRO CG 1 1 23 13002 1 1 30 PRO HA H -12.000 -3.533 5.071 1.00 . A A . 74 PRO HA 1 1 23 13003 1 1 30 PRO HB2 H -14.123 -1.883 6.299 1.00 . A A . 74 PRO HB2 1 1 23 13004 1 1 30 PRO HB3 H -13.561 -3.506 6.747 1.00 . A A . 74 PRO HB3 1 1 23 13005 1 1 30 PRO HD2 H -11.740 -0.028 6.859 1.00 . A A . 74 PRO HD2 1 1 23 13006 1 1 30 PRO HD3 H -10.450 -1.093 7.465 1.00 . A A . 74 PRO HD3 1 1 23 13007 1 1 30 PRO HG2 H -13.039 -1.330 8.240 1.00 . A A . 74 PRO HG2 1 1 23 13008 1 1 30 PRO HG3 H -11.933 -2.708 8.132 1.00 . A A . 74 PRO HG3 1 1 23 13009 1 1 30 PRO N N -11.228 -1.632 5.594 1.00 . A A . 74 PRO N 1 1 23 13010 1 1 30 PRO O O -13.929 -2.684 3.441 1.00 . A A . 74 PRO O 1 1 23 13011 1 1 31 ALA C C -12.807 -0.682 1.135 1.00 . A A . 75 ALA C 1 1 23 13012 1 1 31 ALA CA C -13.507 -0.229 2.419 1.00 . A A . 75 ALA CA 1 1 23 13013 1 1 31 ALA CB C -13.395 1.287 2.584 1.00 . A A . 75 ALA CB 1 1 23 13014 1 1 31 ALA H H -12.146 -0.270 4.089 1.00 . A A . 75 ALA H 1 1 23 13015 1 1 31 ALA HA H -14.544 -0.523 2.407 1.00 . A A . 75 ALA HA 1 1 23 13016 1 1 31 ALA HB1 H -12.459 1.528 3.066 1.00 . A A . 75 ALA HB1 1 1 23 13017 1 1 31 ALA HB2 H -13.431 1.758 1.612 1.00 . A A . 75 ALA HB2 1 1 23 13018 1 1 31 ALA HB3 H -14.215 1.644 3.189 1.00 . A A . 75 ALA HB3 1 1 23 13019 1 1 31 ALA N N -12.816 -0.799 3.610 1.00 . A A . 75 ALA N 1 1 23 13020 1 1 31 ALA O O -13.426 -0.852 0.105 1.00 . A A . 75 ALA O 1 1 23 13021 1 1 32 PHE C C -10.140 -2.691 0.212 1.00 . A A . 76 PHE C 1 1 23 13022 1 1 32 PHE CA C -10.778 -1.320 -0.026 1.00 . A A . 76 PHE CA 1 1 23 13023 1 1 32 PHE CB C -9.701 -0.256 -0.244 1.00 . A A . 76 PHE CB 1 1 23 13024 1 1 32 PHE CD1 C -10.576 1.676 1.120 1.00 . A A . 76 PHE CD1 1 1 23 13025 1 1 32 PHE CD2 C -10.640 1.830 -1.300 1.00 . A A . 76 PHE CD2 1 1 23 13026 1 1 32 PHE CE1 C -11.152 2.949 1.216 1.00 . A A . 76 PHE CE1 1 1 23 13027 1 1 32 PHE CE2 C -11.215 3.104 -1.203 1.00 . A A . 76 PHE CE2 1 1 23 13028 1 1 32 PHE CG C -10.321 1.117 -0.139 1.00 . A A . 76 PHE CG 1 1 23 13029 1 1 32 PHE CZ C -11.471 3.662 0.055 1.00 . A A . 76 PHE CZ 1 1 23 13030 1 1 32 PHE H H -11.036 -0.736 2.027 1.00 . A A . 76 PHE H 1 1 23 13031 1 1 32 PHE HA H -11.439 -1.352 -0.873 1.00 . A A . 76 PHE HA 1 1 23 13032 1 1 32 PHE HB2 H -8.932 -0.362 0.510 1.00 . A A . 76 PHE HB2 1 1 23 13033 1 1 32 PHE HB3 H -9.266 -0.380 -1.225 1.00 . A A . 76 PHE HB3 1 1 23 13034 1 1 32 PHE HD1 H -10.330 1.125 2.015 1.00 . A A . 76 PHE HD1 1 1 23 13035 1 1 32 PHE HD2 H -10.443 1.400 -2.270 1.00 . A A . 76 PHE HD2 1 1 23 13036 1 1 32 PHE HE1 H -11.348 3.379 2.187 1.00 . A A . 76 PHE HE1 1 1 23 13037 1 1 32 PHE HE2 H -11.462 3.654 -2.099 1.00 . A A . 76 PHE HE2 1 1 23 13038 1 1 32 PHE HZ H -11.914 4.645 0.130 1.00 . A A . 76 PHE HZ 1 1 23 13039 1 1 32 PHE N N -11.517 -0.878 1.190 1.00 . A A . 76 PHE N 1 1 23 13040 1 1 32 PHE O O -10.154 -3.211 1.309 1.00 . A A . 76 PHE O 1 1 23 13041 1 1 33 GLU C C -7.929 -4.870 -1.758 1.00 . A A . 77 GLU C 1 1 23 13042 1 1 33 GLU CA C -8.942 -4.619 -0.639 1.00 . A A . 77 GLU CA 1 1 23 13043 1 1 33 GLU CB C -10.095 -5.619 -0.724 1.00 . A A . 77 GLU CB 1 1 23 13044 1 1 33 GLU CD C -8.982 -7.805 -0.243 1.00 . A A . 77 GLU CD 1 1 23 13045 1 1 33 GLU CG C -9.896 -6.718 0.324 1.00 . A A . 77 GLU CG 1 1 23 13046 1 1 33 GLU H H -9.578 -2.845 -1.688 1.00 . A A . 77 GLU H 1 1 23 13047 1 1 33 GLU HA H -8.465 -4.688 0.326 1.00 . A A . 77 GLU HA 1 1 23 13048 1 1 33 GLU HB2 H -11.028 -5.109 -0.539 1.00 . A A . 77 GLU HB2 1 1 23 13049 1 1 33 GLU HB3 H -10.114 -6.063 -1.708 1.00 . A A . 77 GLU HB3 1 1 23 13050 1 1 33 GLU HG2 H -9.446 -6.293 1.209 1.00 . A A . 77 GLU HG2 1 1 23 13051 1 1 33 GLU HG3 H -10.852 -7.150 0.577 1.00 . A A . 77 GLU HG3 1 1 23 13052 1 1 33 GLU N N -9.580 -3.281 -0.809 1.00 . A A . 77 GLU N 1 1 23 13053 1 1 33 GLU O O -7.570 -5.997 -2.041 1.00 . A A . 77 GLU O 1 1 23 13054 1 1 33 GLU OE1 O -7.784 -7.576 -0.297 1.00 . A A . 77 GLU OE1 1 1 23 13055 1 1 33 GLU OE2 O -9.494 -8.848 -0.614 1.00 . A A . 77 GLU OE2 1 1 23 13056 1 1 34 GLY C C -5.074 -3.669 -2.984 1.00 . A A . 78 GLY C 1 1 23 13057 1 1 34 GLY CA C -6.473 -4.014 -3.494 1.00 . A A . 78 GLY CA 1 1 23 13058 1 1 34 GLY H H -7.764 -2.932 -2.151 1.00 . A A . 78 GLY H 1 1 23 13059 1 1 34 GLY HA2 H -6.493 -5.042 -3.829 1.00 . A A . 78 GLY HA2 1 1 23 13060 1 1 34 GLY HA3 H -6.723 -3.363 -4.317 1.00 . A A . 78 GLY HA3 1 1 23 13061 1 1 34 GLY N N -7.462 -3.832 -2.395 1.00 . A A . 78 GLY N 1 1 23 13062 1 1 34 GLY O O -4.910 -3.134 -1.906 1.00 . A A . 78 GLY O 1 1 23 13063 1 1 35 ARG C C -2.571 -2.185 -2.891 1.00 . A A . 79 ARG C 1 1 23 13064 1 1 35 ARG CA C -2.672 -3.655 -3.307 1.00 . A A . 79 ARG CA 1 1 23 13065 1 1 35 ARG CB C -1.795 -3.929 -4.529 1.00 . A A . 79 ARG CB 1 1 23 13066 1 1 35 ARG CD C -0.772 -6.208 -4.490 1.00 . A A . 79 ARG CD 1 1 23 13067 1 1 35 ARG CG C -1.969 -5.384 -4.967 1.00 . A A . 79 ARG CG 1 1 23 13068 1 1 35 ARG CZ C 1.457 -6.509 -5.388 1.00 . A A . 79 ARG CZ 1 1 23 13069 1 1 35 ARG H H -4.213 -4.400 -4.618 1.00 . A A . 79 ARG H 1 1 23 13070 1 1 35 ARG HA H -2.381 -4.299 -2.494 1.00 . A A . 79 ARG HA 1 1 23 13071 1 1 35 ARG HB2 H -2.087 -3.272 -5.337 1.00 . A A . 79 ARG HB2 1 1 23 13072 1 1 35 ARG HB3 H -0.761 -3.752 -4.278 1.00 . A A . 79 ARG HB3 1 1 23 13073 1 1 35 ARG HD2 H -0.383 -5.803 -3.566 1.00 . A A . 79 ARG HD2 1 1 23 13074 1 1 35 ARG HD3 H -1.053 -7.242 -4.360 1.00 . A A . 79 ARG HD3 1 1 23 13075 1 1 35 ARG HE H -0.015 -5.691 -6.438 1.00 . A A . 79 ARG HE 1 1 23 13076 1 1 35 ARG HG2 H -2.877 -5.783 -4.538 1.00 . A A . 79 ARG HG2 1 1 23 13077 1 1 35 ARG HG3 H -2.030 -5.432 -6.045 1.00 . A A . 79 ARG HG3 1 1 23 13078 1 1 35 ARG HH11 H 1.982 -4.949 -4.249 1.00 . A A . 79 ARG HH11 1 1 23 13079 1 1 35 ARG HH12 H 3.219 -6.134 -4.514 1.00 . A A . 79 ARG HH12 1 1 23 13080 1 1 35 ARG HH21 H 1.217 -8.168 -6.482 1.00 . A A . 79 ARG HH21 1 1 23 13081 1 1 35 ARG HH22 H 2.785 -7.956 -5.778 1.00 . A A . 79 ARG HH22 1 1 23 13082 1 1 35 ARG N N -4.061 -3.968 -3.750 1.00 . A A . 79 ARG N 1 1 23 13083 1 1 35 ARG NE N 0.237 -6.087 -5.578 1.00 . A A . 79 ARG NE 1 1 23 13084 1 1 35 ARG NH1 N 2.284 -5.810 -4.660 1.00 . A A . 79 ARG NH1 1 1 23 13085 1 1 35 ARG NH2 N 1.850 -7.632 -5.924 1.00 . A A . 79 ARG NH2 1 1 23 13086 1 1 35 ARG O O -2.127 -1.866 -1.807 1.00 . A A . 79 ARG O 1 1 23 13087 1 1 36 ASN C C -4.299 0.679 -3.022 1.00 . A A . 80 ASN C 1 1 23 13088 1 1 36 ASN CA C -2.910 0.160 -3.400 1.00 . A A . 80 ASN CA 1 1 23 13089 1 1 36 ASN CB C -2.411 0.845 -4.672 1.00 . A A . 80 ASN CB 1 1 23 13090 1 1 36 ASN CG C -0.884 0.763 -4.734 1.00 . A A . 80 ASN CG 1 1 23 13091 1 1 36 ASN H H -3.336 -1.567 -4.616 1.00 . A A . 80 ASN H 1 1 23 13092 1 1 36 ASN HA H -2.212 0.324 -2.594 1.00 . A A . 80 ASN HA 1 1 23 13093 1 1 36 ASN HB2 H -2.834 0.352 -5.536 1.00 . A A . 80 ASN HB2 1 1 23 13094 1 1 36 ASN HB3 H -2.714 1.882 -4.665 1.00 . A A . 80 ASN HB3 1 1 23 13095 1 1 36 ASN HD21 H -0.782 -0.809 -3.521 1.00 . A A . 80 ASN HD21 1 1 23 13096 1 1 36 ASN HD22 H 0.716 -0.228 -4.094 1.00 . A A . 80 ASN HD22 1 1 23 13097 1 1 36 ASN N N -2.981 -1.289 -3.747 1.00 . A A . 80 ASN N 1 1 23 13098 1 1 36 ASN ND2 N -0.265 -0.168 -4.061 1.00 . A A . 80 ASN ND2 1 1 23 13099 1 1 36 ASN O O -4.648 1.809 -3.299 1.00 . A A . 80 ASN O 1 1 23 13100 1 1 36 ASN OD1 O -0.248 1.554 -5.400 1.00 . A A . 80 ASN OD1 1 1 23 13101 1 1 37 CYS C C -7.253 0.730 -3.248 1.00 . A A . 81 CYS C 1 1 23 13102 1 1 37 CYS CA C -6.467 0.305 -2.005 1.00 . A A . 81 CYS CA 1 1 23 13103 1 1 37 CYS CB C -6.252 1.498 -1.073 1.00 . A A . 81 CYS CB 1 1 23 13104 1 1 37 CYS H H -4.800 -1.050 -2.185 1.00 . A A . 81 CYS H 1 1 23 13105 1 1 37 CYS HA H -6.986 -0.483 -1.482 1.00 . A A . 81 CYS HA 1 1 23 13106 1 1 37 CYS HB2 H -5.934 2.353 -1.652 1.00 . A A . 81 CYS HB2 1 1 23 13107 1 1 37 CYS HB3 H -7.179 1.729 -0.570 1.00 . A A . 81 CYS HB3 1 1 23 13108 1 1 37 CYS N N -5.098 -0.141 -2.396 1.00 . A A . 81 CYS N 1 1 23 13109 1 1 37 CYS O O -8.278 1.377 -3.157 1.00 . A A . 81 CYS O 1 1 23 13110 1 1 37 CYS SG S -4.983 1.095 0.153 1.00 . A A . 81 CYS SG 1 1 23 13111 1 1 38 GLU C C -8.701 -0.163 -5.878 1.00 . A A . 82 GLU C 1 1 23 13112 1 1 38 GLU CA C -7.493 0.755 -5.661 1.00 . A A . 82 GLU CA 1 1 23 13113 1 1 38 GLU CB C -6.458 0.572 -6.775 1.00 . A A . 82 GLU CB 1 1 23 13114 1 1 38 GLU CD C -6.139 0.125 -9.213 1.00 . A A . 82 GLU CD 1 1 23 13115 1 1 38 GLU CG C -7.167 0.437 -8.125 1.00 . A A . 82 GLU CG 1 1 23 13116 1 1 38 GLU H H -5.949 -0.149 -4.460 1.00 . A A . 82 GLU H 1 1 23 13117 1 1 38 GLU HA H -7.806 1.786 -5.615 1.00 . A A . 82 GLU HA 1 1 23 13118 1 1 38 GLU HB2 H -5.801 1.432 -6.798 1.00 . A A . 82 GLU HB2 1 1 23 13119 1 1 38 GLU HB3 H -5.877 -0.319 -6.584 1.00 . A A . 82 GLU HB3 1 1 23 13120 1 1 38 GLU HG2 H -7.890 -0.364 -8.071 1.00 . A A . 82 GLU HG2 1 1 23 13121 1 1 38 GLU HG3 H -7.671 1.362 -8.362 1.00 . A A . 82 GLU HG3 1 1 23 13122 1 1 38 GLU N N -6.778 0.372 -4.410 1.00 . A A . 82 GLU N 1 1 23 13123 1 1 38 GLU O O -9.577 0.126 -6.670 1.00 . A A . 82 GLU O 1 1 23 13124 1 1 38 GLU OE1 O -5.127 0.805 -9.259 1.00 . A A . 82 GLU OE1 1 1 23 13125 1 1 38 GLU OE2 O -6.381 -0.790 -9.985 1.00 . A A . 82 GLU OE2 1 1 23 13126 1 1 39 THR C C -11.076 -1.757 -4.471 1.00 . A A . 83 THR C 1 1 23 13127 1 1 39 THR CA C -9.904 -2.199 -5.352 1.00 . A A . 83 THR CA 1 1 23 13128 1 1 39 THR CB C -9.378 -3.562 -4.901 1.00 . A A . 83 THR CB 1 1 23 13129 1 1 39 THR CG2 C -10.475 -4.615 -5.065 1.00 . A A . 83 THR CG2 1 1 23 13130 1 1 39 THR H H -8.037 -1.480 -4.551 1.00 . A A . 83 THR H 1 1 23 13131 1 1 39 THR HA H -10.205 -2.243 -6.387 1.00 . A A . 83 THR HA 1 1 23 13132 1 1 39 THR HB H -9.085 -3.512 -3.864 1.00 . A A . 83 THR HB 1 1 23 13133 1 1 39 THR HG1 H -8.389 -3.565 -6.577 1.00 . A A . 83 THR HG1 1 1 23 13134 1 1 39 THR HG21 H -11.420 -4.124 -5.242 1.00 . A A . 83 THR HG21 1 1 23 13135 1 1 39 THR HG22 H -10.238 -5.255 -5.902 1.00 . A A . 83 THR HG22 1 1 23 13136 1 1 39 THR HG23 H -10.541 -5.209 -4.165 1.00 . A A . 83 THR HG23 1 1 23 13137 1 1 39 THR N N -8.753 -1.265 -5.184 1.00 . A A . 83 THR N 1 1 23 13138 1 1 39 THR O O -11.469 -2.450 -3.553 1.00 . A A . 83 THR O 1 1 23 13139 1 1 39 THR OG1 O -8.254 -3.919 -5.695 1.00 . A A . 83 THR OG1 1 1 23 13140 1 1 40 HIS C C -13.823 -1.234 -3.759 1.00 . A A . 84 HIS C 1 1 23 13141 1 1 40 HIS CA C -12.780 -0.125 -3.918 1.00 . A A . 84 HIS CA 1 1 23 13142 1 1 40 HIS CB C -13.362 1.050 -4.702 1.00 . A A . 84 HIS CB 1 1 23 13143 1 1 40 HIS CD2 C -15.051 1.958 -2.907 1.00 . A A . 84 HIS CD2 1 1 23 13144 1 1 40 HIS CE1 C -16.881 1.700 -4.036 1.00 . A A . 84 HIS CE1 1 1 23 13145 1 1 40 HIS CG C -14.697 1.428 -4.123 1.00 . A A . 84 HIS CG 1 1 23 13146 1 1 40 HIS H H -11.302 -0.066 -5.485 1.00 . A A . 84 HIS H 1 1 23 13147 1 1 40 HIS HA H -12.436 0.211 -2.953 1.00 . A A . 84 HIS HA 1 1 23 13148 1 1 40 HIS HB2 H -12.689 1.893 -4.641 1.00 . A A . 84 HIS HB2 1 1 23 13149 1 1 40 HIS HB3 H -13.488 0.766 -5.738 1.00 . A A . 84 HIS HB3 1 1 23 13150 1 1 40 HIS HD1 H -15.972 0.916 -5.735 1.00 . A A . 84 HIS HD1 1 1 23 13151 1 1 40 HIS HD2 H -14.363 2.204 -2.111 1.00 . A A . 84 HIS HD2 1 1 23 13152 1 1 40 HIS HE1 H -17.923 1.698 -4.323 1.00 . A A . 84 HIS HE1 1 1 23 13153 1 1 40 HIS N N -11.635 -0.610 -4.741 1.00 . A A . 84 HIS N 1 1 23 13154 1 1 40 HIS ND1 N -15.881 1.273 -4.827 1.00 . A A . 84 HIS ND1 1 1 23 13155 1 1 40 HIS NE2 N -16.432 2.129 -2.853 1.00 . A A . 84 HIS NE2 1 1 23 13156 1 1 40 HIS O O -14.559 -1.543 -4.675 1.00 . A A . 84 HIS O 1 1 23 13157 1 1 41 LYS C C -16.266 -2.488 -2.892 1.00 . A A . 85 LYS C 1 1 23 13158 1 1 41 LYS CA C -14.888 -2.924 -2.387 1.00 . A A . 85 LYS CA 1 1 23 13159 1 1 41 LYS CB C -14.914 -3.142 -0.874 1.00 . A A . 85 LYS CB 1 1 23 13160 1 1 41 LYS CD C -13.576 -3.913 1.089 1.00 . A A . 85 LYS CD 1 1 23 13161 1 1 41 LYS CE C -12.601 -5.011 1.523 1.00 . A A . 85 LYS CE 1 1 23 13162 1 1 41 LYS CG C -13.633 -3.856 -0.438 1.00 . A A . 85 LYS CG 1 1 23 13163 1 1 41 LYS H H -13.290 -1.571 -1.876 1.00 . A A . 85 LYS H 1 1 23 13164 1 1 41 LYS HA H -14.572 -3.828 -2.884 1.00 . A A . 85 LYS HA 1 1 23 13165 1 1 41 LYS HB2 H -14.983 -2.185 -0.374 1.00 . A A . 85 LYS HB2 1 1 23 13166 1 1 41 LYS HB3 H -15.769 -3.749 -0.613 1.00 . A A . 85 LYS HB3 1 1 23 13167 1 1 41 LYS HD2 H -13.240 -2.960 1.473 1.00 . A A . 85 LYS HD2 1 1 23 13168 1 1 41 LYS HD3 H -14.558 -4.132 1.479 1.00 . A A . 85 LYS HD3 1 1 23 13169 1 1 41 LYS HE2 H -11.590 -4.748 1.243 1.00 . A A . 85 LYS HE2 1 1 23 13170 1 1 41 LYS HE3 H -12.667 -5.174 2.587 1.00 . A A . 85 LYS HE3 1 1 23 13171 1 1 41 LYS HG2 H -13.627 -4.860 -0.838 1.00 . A A . 85 LYS HG2 1 1 23 13172 1 1 41 LYS HG3 H -12.776 -3.316 -0.809 1.00 . A A . 85 LYS HG3 1 1 23 13173 1 1 41 LYS HZ1 H -14.065 -6.170 0.603 1.00 . A A . 85 LYS HZ1 1 1 23 13174 1 1 41 LYS HZ2 H -12.529 -6.301 -0.109 1.00 . A A . 85 LYS HZ2 1 1 23 13175 1 1 41 LYS HZ3 H -12.851 -7.071 1.370 1.00 . A A . 85 LYS HZ3 1 1 23 13176 1 1 41 LYS N N -13.891 -1.835 -2.603 1.00 . A A . 85 LYS N 1 1 23 13177 1 1 41 LYS NZ N -13.046 -6.230 0.791 1.00 . A A . 85 LYS NZ 1 1 23 13178 1 1 41 LYS O O -16.483 -1.292 -3.003 1.00 . A A . 85 LYS O 1 1 23 13179 1 1 41 LYS OXT O -17.080 -3.357 -3.156 1.00 . A A . 85 LYS OXT 1 1 stop_ save_
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