NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
636213 | 6gnz | 34278 | cing | 4-filtered-FRED | STAR | entry | full | 464 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6gnz # This FRED archive file contains, for PDB entry <6gnz>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_6gnz _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6gnz _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2925.43 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 $Plantaricin_S_alpha_protein A . 1 1 stop_ save_ save_Plantaricin_S_alpha_protein _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Plantaricin S alpha protein" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code RNKLAYNMGHYAGKATIFGLAAWALLA _Entity.Number_of_monomers 27 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 ARG . 1 1 2 ASN . 1 1 3 LYS . 1 1 4 LEU . 1 1 5 ALA . 1 1 6 TYR . 1 1 7 ASN . 1 1 8 MET . 1 1 9 GLY . 1 1 10 HIS . 1 1 11 TYR . 1 1 12 ALA . 1 1 13 GLY . 1 1 14 LYS . 1 1 15 ALA . 1 1 16 THR . 1 1 17 ILE . 1 1 18 PHE . 1 1 19 GLY . 1 1 20 LEU . 1 1 21 ALA . 1 1 22 ALA . 1 1 23 TRP . 1 1 24 ALA . 1 1 25 LEU . 1 1 26 LEU . 1 1 27 ALA . 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 ARG 1 1 1 1 ASN 2 2 1 1 LYS 3 3 1 1 LEU 4 4 1 1 ALA 5 5 1 1 TYR 6 6 1 1 ASN 7 7 1 1 MET 8 8 1 1 GLY 9 9 1 1 HIS 10 10 1 1 TYR 11 11 1 1 ALA 12 12 1 1 GLY 13 13 1 1 LYS 14 14 1 1 ALA 15 15 1 1 THR 16 16 1 1 ILE 17 17 1 1 PHE 18 18 1 1 GLY 19 19 1 1 LEU 20 20 1 1 ALA 21 21 1 1 ALA 22 22 1 1 TRP 23 23 1 1 ALA 24 24 1 1 LEU 25 25 1 1 LEU 26 26 1 1 ALA 27 27 1 1 stop_ save_ save_DYANA/DIANA_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 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 ARG HA . 1 ARG HA 1 1 1 1 2 1 1 1 ARG QD . 1 ARG QD 1 1 2 1 1 1 1 1 ARG HA . 1 ARG HA 1 1 2 1 2 1 1 1 ARG QG . 1 ARG QG 1 1 3 1 1 1 1 1 ARG HA . 1 ARG HA 1 1 3 1 2 1 1 2 ASN H . 2 ASN H 1 1 4 1 1 1 1 1 ARG QB . 1 ARG QB 1 1 4 1 2 1 1 1 ARG QD . 1 ARG QD 1 1 5 1 1 1 1 1 ARG QB . 1 ARG QB 1 1 5 1 2 1 1 1 ARG HE . 1 ARG HE 1 1 6 1 1 1 1 1 ARG QB . 1 ARG QB 1 1 6 1 2 1 1 2 ASN H . 2 ASN H 1 1 7 1 1 1 1 1 ARG QG . 1 ARG QG 1 1 7 1 2 1 1 2 ASN H . 2 ASN H 1 1 8 1 1 1 1 2 ASN H . 2 ASN H 1 1 8 1 2 1 1 3 LYS H . 3 LYS H 1 1 9 1 1 1 1 2 ASN HA . 2 ASN HA 1 1 9 1 2 1 1 3 LYS H . 3 LYS H 1 1 10 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 10 1 2 1 1 3 LYS H . 3 LYS H 1 1 11 1 1 1 1 3 LYS H . 3 LYS H 1 1 11 1 2 1 1 3 LYS QB . 3 LYS QB 1 1 12 1 1 1 1 3 LYS H . 3 LYS H 1 1 12 1 2 1 1 3 LYS QD . 3 LYS QD 1 1 13 1 1 1 1 3 LYS H . 3 LYS H 1 1 13 1 2 1 1 3 LYS HG2 . 3 LYS HG2 1 1 14 1 1 1 1 3 LYS H . 3 LYS H 1 1 14 1 2 1 1 3 LYS QG . 3 LYS QG 1 1 15 1 1 1 1 3 LYS H . 3 LYS H 1 1 15 1 2 1 1 3 LYS HG3 . 3 LYS HG3 1 1 16 1 1 1 1 3 LYS H . 3 LYS H 1 1 16 1 2 1 1 4 LEU H . 4 LEU H 1 1 17 1 1 1 1 3 LYS H . 3 LYS H 1 1 17 1 2 1 1 4 LEU HB2 . 4 LEU HB2 1 1 18 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 18 1 2 1 1 3 LYS QD . 3 LYS QD 1 1 19 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 19 1 2 1 1 3 LYS QE . 3 LYS QE 1 1 20 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 20 1 2 1 1 3 LYS QG . 3 LYS QG 1 1 21 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 21 1 2 1 1 4 LEU H . 4 LEU H 1 1 22 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 22 1 2 1 1 4 LEU HB2 . 4 LEU HB2 1 1 23 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 23 1 2 1 1 8 MET H . 8 MET H 1 1 24 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 24 1 2 1 1 8 MET QB . 8 MET QB 1 1 25 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 25 1 2 1 1 8 MET ME . 8 MET QE 1 1 26 1 1 1 1 3 LYS QB . 3 LYS QB 1 1 26 1 2 1 1 3 LYS QE . 3 LYS QE 1 1 27 1 1 1 1 3 LYS QB . 3 LYS QB 1 1 27 1 2 1 1 4 LEU H . 4 LEU H 1 1 28 1 1 1 1 3 LYS HB2 . 3 LYS HB2 1 1 28 1 2 1 1 3 LYS QE . 3 LYS QE 1 1 29 1 1 1 1 3 LYS HB3 . 3 LYS HB3 1 1 29 1 2 1 1 3 LYS QE . 3 LYS QE 1 1 30 1 1 1 1 3 LYS QE . 3 LYS QE 1 1 30 1 2 1 1 4 LEU H . 4 LEU H 1 1 31 1 1 1 1 3 LYS QE . 3 LYS QE 1 1 31 1 2 1 1 4 LEU HA . 4 LEU HA 1 1 32 1 1 1 1 3 LYS QE . 3 LYS QE 1 1 32 1 2 1 1 4 LEU HB2 . 4 LEU HB2 1 1 33 1 1 1 1 3 LYS QG . 3 LYS QG 1 1 33 1 2 1 1 4 LEU H . 4 LEU H 1 1 34 1 1 1 1 3 LYS QG . 3 LYS QG 1 1 34 1 2 1 1 8 MET H . 8 MET H 1 1 35 1 1 1 1 3 LYS QG . 3 LYS QG 1 1 35 1 2 1 1 8 MET QB . 8 MET QB 1 1 36 1 1 1 1 4 LEU H . 4 LEU H 1 1 36 1 2 1 1 4 LEU HB2 . 4 LEU HB2 1 1 37 1 1 1 1 4 LEU H . 4 LEU H 1 1 37 1 2 1 1 4 LEU MD1 . 4 LEU QD1 1 1 38 1 1 1 1 4 LEU H . 4 LEU H 1 1 38 1 2 1 1 4 LEU QD . 4 LEU QQD 1 1 39 1 1 1 1 4 LEU H . 4 LEU H 1 1 39 1 2 1 1 4 LEU MD2 . 4 LEU QD2 1 1 40 1 1 1 1 4 LEU H . 4 LEU H 1 1 40 1 2 1 1 5 ALA H . 5 ALA H 1 1 41 1 1 1 1 4 LEU H . 4 LEU H 1 1 41 1 2 1 1 7 ASN HA . 7 ASN HA 1 1 42 1 1 1 1 4 LEU H . 4 LEU H 1 1 42 1 2 1 1 7 ASN QB . 7 ASN QB 1 1 43 1 1 1 1 4 LEU H . 4 LEU H 1 1 43 1 2 1 1 7 ASN QD . 7 ASN QD2 1 1 44 1 1 1 1 4 LEU H . 4 LEU H 1 1 44 1 2 1 1 8 MET QB . 8 MET QB 1 1 45 1 1 1 1 4 LEU HA . 4 LEU HA 1 1 45 1 2 1 1 4 LEU MD1 . 4 LEU QD1 1 1 46 1 1 1 1 4 LEU HA . 4 LEU HA 1 1 46 1 2 1 1 4 LEU QD . 4 LEU QQD 1 1 47 1 1 1 1 4 LEU HA . 4 LEU HA 1 1 47 1 2 1 1 4 LEU MD2 . 4 LEU QD2 1 1 48 1 1 1 1 4 LEU HA . 4 LEU HA 1 1 48 1 2 1 1 5 ALA H . 5 ALA H 1 1 49 1 1 1 1 4 LEU HA . 4 LEU HA 1 1 49 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 50 1 1 1 1 4 LEU HA . 4 LEU HA 1 1 50 1 2 1 1 6 TYR H . 6 TYR H 1 1 51 1 1 1 1 4 LEU HA . 4 LEU HA 1 1 51 1 2 1 1 7 ASN H . 7 ASN H 1 1 52 1 1 1 1 4 LEU HA . 4 LEU HA 1 1 52 1 2 1 1 8 MET H . 8 MET H 1 1 53 1 1 1 1 4 LEU HB2 . 4 LEU HB2 1 1 53 1 2 1 1 4 LEU QD . 4 LEU QQD 1 1 54 1 1 1 1 4 LEU HB3 . 4 LEU HB3 1 1 54 1 2 1 1 4 LEU QD . 4 LEU QQD 1 1 55 1 1 1 1 4 LEU HB3 . 4 LEU HB3 1 1 55 1 2 1 1 5 ALA H . 5 ALA H 1 1 56 1 1 1 1 4 LEU HB3 . 4 LEU HB3 1 1 56 1 2 1 1 6 TYR H . 6 TYR H 1 1 57 1 1 1 1 4 LEU HB3 . 4 LEU HB3 1 1 57 1 2 1 1 6 TYR QD . 6 TYR QD 1 1 58 1 1 1 1 4 LEU HB3 . 4 LEU HB3 1 1 58 1 2 1 1 7 ASN QD . 7 ASN QD2 1 1 59 1 1 1 1 4 LEU QD . 4 LEU QQD 1 1 59 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 60 1 1 1 1 4 LEU QD . 4 LEU QQD 1 1 60 1 2 1 1 6 TYR QD . 6 TYR QD 1 1 61 1 1 1 1 4 LEU MD1 . 4 LEU QD1 1 1 61 1 2 1 1 5 ALA H . 5 ALA H 1 1 62 1 1 1 1 4 LEU MD1 . 4 LEU QD1 1 1 62 1 2 1 1 6 TYR QD . 6 TYR QD 1 1 63 1 1 1 1 4 LEU MD1 . 4 LEU QD1 1 1 63 1 2 1 1 6 TYR QE . 6 TYR QE 1 1 64 1 1 1 1 4 LEU MD2 . 4 LEU QD2 1 1 64 1 2 1 1 5 ALA H . 5 ALA H 1 1 65 1 1 1 1 4 LEU MD2 . 4 LEU QD2 1 1 65 1 2 1 1 6 TYR QD . 6 TYR QD 1 1 66 1 1 1 1 4 LEU MD2 . 4 LEU QD2 1 1 66 1 2 1 1 6 TYR QE . 6 TYR QE 1 1 67 1 1 1 1 4 LEU HG . 4 LEU HG 1 1 67 1 2 1 1 5 ALA H . 5 ALA H 1 1 68 1 1 1 1 4 LEU HG . 4 LEU HG 1 1 68 1 2 1 1 6 TYR H . 6 TYR H 1 1 69 1 1 1 1 4 LEU HG . 4 LEU HG 1 1 69 1 2 1 1 6 TYR QD . 6 TYR QD 1 1 70 1 1 1 1 4 LEU HG . 4 LEU HG 1 1 70 1 2 1 1 6 TYR QE . 6 TYR QE 1 1 71 1 1 1 1 5 ALA H . 5 ALA H 1 1 71 1 2 1 1 6 TYR H . 6 TYR H 1 1 72 1 1 1 1 5 ALA H . 5 ALA H 1 1 72 1 2 1 1 6 TYR HA . 6 TYR HA 1 1 73 1 1 1 1 5 ALA H . 5 ALA H 1 1 73 1 2 1 1 6 TYR HB2 . 6 TYR HB2 1 1 74 1 1 1 1 5 ALA H . 5 ALA H 1 1 74 1 2 1 1 6 TYR QD . 6 TYR QD 1 1 75 1 1 1 1 5 ALA H . 5 ALA H 1 1 75 1 2 1 1 8 MET H . 8 MET H 1 1 76 1 1 1 1 5 ALA H . 5 ALA H 1 1 76 1 2 1 1 9 GLY H . 9 GLY H 1 1 77 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 77 1 2 1 1 6 TYR H . 6 TYR H 1 1 78 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 78 1 2 1 1 6 TYR QD . 6 TYR QD 1 1 79 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 79 1 2 1 1 8 MET QB . 8 MET QB 1 1 80 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 80 1 2 1 1 9 GLY H . 9 GLY H 1 1 81 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 81 1 2 1 1 10 HIS H . 10 HIS H 1 1 82 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 82 1 2 1 1 6 TYR H . 6 TYR H 1 1 83 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 83 1 2 1 1 6 TYR QD . 6 TYR QD 1 1 84 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 84 1 2 1 1 6 TYR QE . 6 TYR QE 1 1 85 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 85 1 2 1 1 7 ASN H . 7 ASN H 1 1 86 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 86 1 2 1 1 10 HIS H . 10 HIS H 1 1 87 1 1 1 1 6 TYR H . 6 TYR H 1 1 87 1 2 1 1 6 TYR HB2 . 6 TYR HB2 1 1 88 1 1 1 1 6 TYR H . 6 TYR H 1 1 88 1 2 1 1 6 TYR HB3 . 6 TYR HB3 1 1 89 1 1 1 1 6 TYR H . 6 TYR H 1 1 89 1 2 1 1 6 TYR QD . 6 TYR QD 1 1 90 1 1 1 1 6 TYR H . 6 TYR H 1 1 90 1 2 1 1 6 TYR QE . 6 TYR QE 1 1 91 1 1 1 1 6 TYR H . 6 TYR H 1 1 91 1 2 1 1 7 ASN H . 7 ASN H 1 1 92 1 1 1 1 6 TYR H . 6 TYR H 1 1 92 1 2 1 1 8 MET H . 8 MET H 1 1 93 1 1 1 1 6 TYR H . 6 TYR H 1 1 93 1 2 1 1 9 GLY H . 9 GLY H 1 1 94 1 1 1 1 6 TYR H . 6 TYR H 1 1 94 1 2 1 1 10 HIS H . 10 HIS H 1 1 95 1 1 1 1 6 TYR H . 6 TYR H 1 1 95 1 2 1 1 10 HIS QB . 10 HIS QB 1 1 96 1 1 1 1 6 TYR HA . 6 TYR HA 1 1 96 1 2 1 1 6 TYR QD . 6 TYR QD 1 1 97 1 1 1 1 6 TYR HA . 6 TYR HA 1 1 97 1 2 1 1 6 TYR QE . 6 TYR QE 1 1 98 1 1 1 1 6 TYR HA . 6 TYR HA 1 1 98 1 2 1 1 7 ASN H . 7 ASN H 1 1 99 1 1 1 1 6 TYR HA . 6 TYR HA 1 1 99 1 2 1 1 10 HIS H . 10 HIS H 1 1 100 1 1 1 1 6 TYR HB2 . 6 TYR HB2 1 1 100 1 2 1 1 10 HIS H . 10 HIS H 1 1 101 1 1 1 1 6 TYR HB2 . 6 TYR HB2 1 1 101 1 2 1 1 10 HIS HD2 . 10 HIS HD2 1 1 102 1 1 1 1 6 TYR HB3 . 6 TYR HB3 1 1 102 1 2 1 1 10 HIS HD2 . 10 HIS HD2 1 1 103 1 1 1 1 6 TYR QD . 6 TYR QD 1 1 103 1 2 1 1 7 ASN H . 7 ASN H 1 1 104 1 1 1 1 6 TYR QD . 6 TYR QD 1 1 104 1 2 1 1 10 HIS HA . 10 HIS HA 1 1 105 1 1 1 1 6 TYR QD . 6 TYR QD 1 1 105 1 2 1 1 10 HIS HD2 . 10 HIS HD2 1 1 106 1 1 1 1 6 TYR QD . 6 TYR QD 1 1 106 1 2 1 1 10 HIS HE1 . 10 HIS HE1 1 1 107 1 1 1 1 6 TYR QE . 6 TYR QE 1 1 107 1 2 1 1 10 HIS HD2 . 10 HIS HD2 1 1 108 1 1 1 1 7 ASN H . 7 ASN H 1 1 108 1 2 1 1 7 ASN QB . 7 ASN QB 1 1 109 1 1 1 1 7 ASN H . 7 ASN H 1 1 109 1 2 1 1 7 ASN QD . 7 ASN QD2 1 1 110 1 1 1 1 7 ASN H . 7 ASN H 1 1 110 1 2 1 1 8 MET H . 8 MET H 1 1 111 1 1 1 1 7 ASN H . 7 ASN H 1 1 111 1 2 1 1 8 MET QB . 8 MET QB 1 1 112 1 1 1 1 7 ASN H . 7 ASN H 1 1 112 1 2 1 1 10 HIS H . 10 HIS H 1 1 113 1 1 1 1 7 ASN H . 7 ASN H 1 1 113 1 2 1 1 10 HIS QB . 10 HIS QB 1 1 114 1 1 1 1 7 ASN HA . 7 ASN HA 1 1 114 1 2 1 1 8 MET H . 8 MET H 1 1 115 1 1 1 1 7 ASN QB . 7 ASN QB 1 1 115 1 2 1 1 8 MET H . 8 MET H 1 1 116 1 1 1 1 7 ASN HB2 . 7 ASN HB2 1 1 116 1 2 1 1 8 MET H . 8 MET H 1 1 117 1 1 1 1 7 ASN HB3 . 7 ASN HB3 1 1 117 1 2 1 1 8 MET H . 8 MET H 1 1 118 1 1 1 1 8 MET H . 8 MET H 1 1 118 1 2 1 1 8 MET QB . 8 MET QB 1 1 119 1 1 1 1 8 MET H . 8 MET H 1 1 119 1 2 1 1 8 MET ME . 8 MET QE 1 1 120 1 1 1 1 8 MET H . 8 MET H 1 1 120 1 2 1 1 8 MET HG2 . 8 MET HG2 1 1 121 1 1 1 1 8 MET H . 8 MET H 1 1 121 1 2 1 1 8 MET QG . 8 MET QG 1 1 122 1 1 1 1 8 MET H . 8 MET H 1 1 122 1 2 1 1 8 MET HG3 . 8 MET HG3 1 1 123 1 1 1 1 8 MET H . 8 MET H 1 1 123 1 2 1 1 10 HIS QB . 10 HIS QB 1 1 124 1 1 1 1 8 MET H . 8 MET H 1 1 124 1 2 1 1 11 TYR QD . 11 TYR QD 1 1 125 1 1 1 1 8 MET HA . 8 MET HA 1 1 125 1 2 1 1 8 MET ME . 8 MET QE 1 1 126 1 1 1 1 8 MET HA . 8 MET HA 1 1 126 1 2 1 1 10 HIS H . 10 HIS H 1 1 127 1 1 1 1 8 MET HA . 8 MET HA 1 1 127 1 2 1 1 11 TYR H . 11 TYR H 1 1 128 1 1 1 1 8 MET HA . 8 MET HA 1 1 128 1 2 1 1 11 TYR QD . 11 TYR QD 1 1 129 1 1 1 1 8 MET HA . 8 MET HA 1 1 129 1 2 1 1 12 ALA H . 12 ALA H 1 1 130 1 1 1 1 8 MET HA . 8 MET HA 1 1 130 1 2 1 1 12 ALA MB . 12 ALA QB 1 1 131 1 1 1 1 8 MET QB . 8 MET QB 1 1 131 1 2 1 1 9 GLY H . 9 GLY H 1 1 132 1 1 1 1 8 MET QB . 8 MET QB 1 1 132 1 2 1 1 10 HIS H . 10 HIS H 1 1 133 1 1 1 1 8 MET QB . 8 MET QB 1 1 133 1 2 1 1 12 ALA H . 12 ALA H 1 1 134 1 1 1 1 8 MET QB . 8 MET QB 1 1 134 1 2 1 1 12 ALA MB . 12 ALA QB 1 1 135 1 1 1 1 8 MET ME . 8 MET QE 1 1 135 1 2 1 1 11 TYR QD . 11 TYR QD 1 1 136 1 1 1 1 8 MET ME . 8 MET QE 1 1 136 1 2 1 1 12 ALA HA . 12 ALA HA 1 1 137 1 1 1 1 8 MET ME . 8 MET QE 1 1 137 1 2 1 1 12 ALA MB . 12 ALA QB 1 1 138 1 1 1 1 8 MET ME . 8 MET QE 1 1 138 1 2 1 1 15 ALA MB . 15 ALA QB 1 1 139 1 1 1 1 8 MET QG . 8 MET QG 1 1 139 1 2 1 1 9 GLY H . 9 GLY H 1 1 140 1 1 1 1 8 MET HG2 . 8 MET HG2 1 1 140 1 2 1 1 9 GLY H . 9 GLY H 1 1 141 1 1 1 1 8 MET HG3 . 8 MET HG3 1 1 141 1 2 1 1 9 GLY H . 9 GLY H 1 1 142 1 1 1 1 9 GLY H . 9 GLY H 1 1 142 1 2 1 1 10 HIS H . 10 HIS H 1 1 143 1 1 1 1 9 GLY H . 9 GLY H 1 1 143 1 2 1 1 10 HIS HA . 10 HIS HA 1 1 144 1 1 1 1 9 GLY H . 9 GLY H 1 1 144 1 2 1 1 10 HIS QB . 10 HIS QB 1 1 145 1 1 1 1 9 GLY H . 9 GLY H 1 1 145 1 2 1 1 11 TYR H . 11 TYR H 1 1 146 1 1 1 1 9 GLY H . 9 GLY H 1 1 146 1 2 1 1 12 ALA H . 12 ALA H 1 1 147 1 1 1 1 9 GLY H . 9 GLY H 1 1 147 1 2 1 1 12 ALA MB . 12 ALA QB 1 1 148 1 1 1 1 9 GLY QA . 9 GLY QA 1 1 148 1 2 1 1 10 HIS H . 10 HIS H 1 1 149 1 1 1 1 9 GLY QA . 9 GLY QA 1 1 149 1 2 1 1 11 TYR H . 11 TYR H 1 1 150 1 1 1 1 9 GLY QA . 9 GLY QA 1 1 150 1 2 1 1 12 ALA H . 12 ALA H 1 1 151 1 1 1 1 10 HIS H . 10 HIS H 1 1 151 1 2 1 1 10 HIS QB . 10 HIS QB 1 1 152 1 1 1 1 10 HIS H . 10 HIS H 1 1 152 1 2 1 1 10 HIS HD2 . 10 HIS HD2 1 1 153 1 1 1 1 10 HIS H . 10 HIS H 1 1 153 1 2 1 1 11 TYR H . 11 TYR H 1 1 154 1 1 1 1 10 HIS H . 10 HIS H 1 1 154 1 2 1 1 11 TYR HB2 . 11 TYR HB2 1 1 155 1 1 1 1 10 HIS H . 10 HIS H 1 1 155 1 2 1 1 11 TYR QD . 11 TYR QD 1 1 156 1 1 1 1 10 HIS H . 10 HIS H 1 1 156 1 2 1 1 12 ALA H . 12 ALA H 1 1 157 1 1 1 1 10 HIS HA . 10 HIS HA 1 1 157 1 2 1 1 10 HIS HE1 . 10 HIS HE1 1 1 158 1 1 1 1 10 HIS HA . 10 HIS HA 1 1 158 1 2 1 1 11 TYR H . 11 TYR H 1 1 159 1 1 1 1 10 HIS HA . 10 HIS HA 1 1 159 1 2 1 1 12 ALA H . 12 ALA H 1 1 160 1 1 1 1 10 HIS HA . 10 HIS HA 1 1 160 1 2 1 1 14 LYS QE . 14 LYS QE 1 1 161 1 1 1 1 10 HIS QB . 10 HIS QB 1 1 161 1 2 1 1 11 TYR H . 11 TYR H 1 1 162 1 1 1 1 10 HIS QB . 10 HIS QB 1 1 162 1 2 1 1 11 TYR QD . 11 TYR QD 1 1 163 1 1 1 1 10 HIS QB . 10 HIS QB 1 1 163 1 2 1 1 11 TYR QE . 11 TYR QE 1 1 164 1 1 1 1 10 HIS QB . 10 HIS QB 1 1 164 1 2 1 1 14 LYS QZ . 14 LYS QZ 1 1 165 1 1 1 1 10 HIS HD2 . 10 HIS HD2 1 1 165 1 2 1 1 11 TYR QD . 11 TYR QD 1 1 166 1 1 1 1 10 HIS HD2 . 10 HIS HD2 1 1 166 1 2 1 1 11 TYR QE . 11 TYR QE 1 1 167 1 1 1 1 10 HIS HE1 . 10 HIS HE1 1 1 167 1 2 1 1 14 LYS QD . 14 LYS QD 1 1 168 1 1 1 1 10 HIS HE1 . 10 HIS HE1 1 1 168 1 2 1 1 14 LYS QE . 14 LYS QE 1 1 169 1 1 1 1 11 TYR H . 11 TYR H 1 1 169 1 2 1 1 11 TYR HB2 . 11 TYR HB2 1 1 170 1 1 1 1 11 TYR H . 11 TYR H 1 1 170 1 2 1 1 11 TYR HB3 . 11 TYR HB3 1 1 171 1 1 1 1 11 TYR H . 11 TYR H 1 1 171 1 2 1 1 11 TYR QD . 11 TYR QD 1 1 172 1 1 1 1 11 TYR H . 11 TYR H 1 1 172 1 2 1 1 11 TYR QE . 11 TYR QE 1 1 173 1 1 1 1 11 TYR H . 11 TYR H 1 1 173 1 2 1 1 12 ALA MB . 12 ALA QB 1 1 174 1 1 1 1 11 TYR HA . 11 TYR HA 1 1 174 1 2 1 1 11 TYR QD . 11 TYR QD 1 1 175 1 1 1 1 11 TYR HA . 11 TYR HA 1 1 175 1 2 1 1 11 TYR QE . 11 TYR QE 1 1 176 1 1 1 1 11 TYR HA . 11 TYR HA 1 1 176 1 2 1 1 12 ALA H . 12 ALA H 1 1 177 1 1 1 1 11 TYR HA . 11 TYR HA 1 1 177 1 2 1 1 14 LYS H . 14 LYS H 1 1 178 1 1 1 1 11 TYR HB2 . 11 TYR HB2 1 1 178 1 2 1 1 12 ALA H . 12 ALA H 1 1 179 1 1 1 1 11 TYR HB2 . 11 TYR HB2 1 1 179 1 2 1 1 13 GLY H . 13 GLY H 1 1 180 1 1 1 1 11 TYR HB2 . 11 TYR HB2 1 1 180 1 2 1 1 14 LYS H . 14 LYS H 1 1 181 1 1 1 1 11 TYR HB3 . 11 TYR HB3 1 1 181 1 2 1 1 12 ALA H . 12 ALA H 1 1 182 1 1 1 1 11 TYR QD . 11 TYR QD 1 1 182 1 2 1 1 12 ALA H . 12 ALA H 1 1 183 1 1 1 1 11 TYR QD . 11 TYR QD 1 1 183 1 2 1 1 14 LYS H . 14 LYS H 1 1 184 1 1 1 1 11 TYR QD . 11 TYR QD 1 1 184 1 2 1 1 14 LYS QD . 14 LYS QD 1 1 185 1 1 1 1 11 TYR QD . 11 TYR QD 1 1 185 1 2 1 1 15 ALA H . 15 ALA H 1 1 186 1 1 1 1 11 TYR QD . 11 TYR QD 1 1 186 1 2 1 1 15 ALA HA . 15 ALA HA 1 1 187 1 1 1 1 11 TYR QD . 11 TYR QD 1 1 187 1 2 1 1 15 ALA MB . 15 ALA QB 1 1 188 1 1 1 1 11 TYR QE . 11 TYR QE 1 1 188 1 2 1 1 15 ALA MB . 15 ALA QB 1 1 189 1 1 1 1 12 ALA H . 12 ALA H 1 1 189 1 2 1 1 13 GLY H . 13 GLY H 1 1 190 1 1 1 1 12 ALA H . 12 ALA H 1 1 190 1 2 1 1 13 GLY QA . 13 GLY QA 1 1 191 1 1 1 1 12 ALA H . 12 ALA H 1 1 191 1 2 1 1 15 ALA H . 15 ALA H 1 1 192 1 1 1 1 12 ALA HA . 12 ALA HA 1 1 192 1 2 1 1 13 GLY H . 13 GLY H 1 1 193 1 1 1 1 12 ALA MB . 12 ALA QB 1 1 193 1 2 1 1 13 GLY H . 13 GLY H 1 1 194 1 1 1 1 12 ALA MB . 12 ALA QB 1 1 194 1 2 1 1 13 GLY QA . 13 GLY QA 1 1 195 1 1 1 1 12 ALA MB . 12 ALA QB 1 1 195 1 2 1 1 16 THR H . 16 THR H 1 1 196 1 1 1 1 13 GLY QA . 13 GLY QA 1 1 196 1 2 1 1 14 LYS HB2 . 14 LYS HB2 1 1 197 1 1 1 1 13 GLY QA . 13 GLY QA 1 1 197 1 2 1 1 14 LYS QD . 14 LYS QD 1 1 198 1 1 1 1 13 GLY QA . 13 GLY QA 1 1 198 1 2 1 1 15 ALA H . 15 ALA H 1 1 199 1 1 1 1 14 LYS H . 14 LYS H 1 1 199 1 2 1 1 14 LYS HB3 . 14 LYS HB3 1 1 200 1 1 1 1 14 LYS H . 14 LYS H 1 1 200 1 2 1 1 14 LYS QD . 14 LYS QD 1 1 201 1 1 1 1 14 LYS H . 14 LYS H 1 1 201 1 2 1 1 14 LYS QE . 14 LYS QE 1 1 202 1 1 1 1 14 LYS H . 14 LYS H 1 1 202 1 2 1 1 14 LYS QG . 14 LYS QG 1 1 203 1 1 1 1 14 LYS H . 14 LYS H 1 1 203 1 2 1 1 14 LYS QZ . 14 LYS QZ 1 1 204 1 1 1 1 14 LYS H . 14 LYS H 1 1 204 1 2 1 1 15 ALA H . 15 ALA H 1 1 205 1 1 1 1 14 LYS H . 14 LYS H 1 1 205 1 2 1 1 15 ALA MB . 15 ALA QB 1 1 206 1 1 1 1 14 LYS H . 14 LYS H 1 1 206 1 2 1 1 16 THR H . 16 THR H 1 1 207 1 1 1 1 14 LYS HA . 14 LYS HA 1 1 207 1 2 1 1 14 LYS QD . 14 LYS QD 1 1 208 1 1 1 1 14 LYS HA . 14 LYS HA 1 1 208 1 2 1 1 14 LYS QG . 14 LYS QG 1 1 209 1 1 1 1 14 LYS HA . 14 LYS HA 1 1 209 1 2 1 1 15 ALA H . 15 ALA H 1 1 210 1 1 1 1 14 LYS HA . 14 LYS HA 1 1 210 1 2 1 1 16 THR H . 16 THR H 1 1 211 1 1 1 1 14 LYS HA . 14 LYS HA 1 1 211 1 2 1 1 17 ILE H . 17 ILE H 1 1 212 1 1 1 1 14 LYS HA . 14 LYS HA 1 1 212 1 2 1 1 17 ILE MG . 17 ILE QG2 1 1 213 1 1 1 1 14 LYS HA . 14 LYS HA 1 1 213 1 2 1 1 18 PHE QD . 18 PHE QD 1 1 214 1 1 1 1 14 LYS HA . 14 LYS HA 1 1 214 1 2 1 1 18 PHE QE . 18 PHE QE 1 1 215 1 1 1 1 14 LYS HB2 . 14 LYS HB2 1 1 215 1 2 1 1 15 ALA H . 15 ALA H 1 1 216 1 1 1 1 14 LYS HB2 . 14 LYS HB2 1 1 216 1 2 1 1 16 THR H . 16 THR H 1 1 217 1 1 1 1 14 LYS HB3 . 14 LYS HB3 1 1 217 1 2 1 1 15 ALA HA . 15 ALA HA 1 1 218 1 1 1 1 14 LYS HB3 . 14 LYS HB3 1 1 218 1 2 1 1 16 THR H . 16 THR H 1 1 219 1 1 1 1 14 LYS HB3 . 14 LYS HB3 1 1 219 1 2 1 1 18 PHE QD . 18 PHE QD 1 1 220 1 1 1 1 14 LYS HB3 . 14 LYS HB3 1 1 220 1 2 1 1 19 GLY H . 19 GLY H 1 1 221 1 1 1 1 14 LYS QD . 14 LYS QD 1 1 221 1 2 1 1 14 LYS QG . 14 LYS QG 1 1 222 1 1 1 1 14 LYS QD . 14 LYS QD 1 1 222 1 2 1 1 18 PHE QD . 18 PHE QD 1 1 223 1 1 1 1 14 LYS QD . 14 LYS QD 1 1 223 1 2 1 1 18 PHE QE . 18 PHE QE 1 1 224 1 1 1 1 14 LYS QE . 14 LYS QE 1 1 224 1 2 1 1 14 LYS QG . 14 LYS QG 1 1 225 1 1 1 1 14 LYS QE . 14 LYS QE 1 1 225 1 2 1 1 18 PHE QE . 18 PHE QE 1 1 226 1 1 1 1 14 LYS HG2 . 14 LYS HG2 1 1 226 1 2 1 1 18 PHE QD . 18 PHE QD 1 1 227 1 1 1 1 14 LYS HG2 . 14 LYS HG2 1 1 227 1 2 1 1 18 PHE QE . 18 PHE QE 1 1 228 1 1 1 1 14 LYS HG3 . 14 LYS HG3 1 1 228 1 2 1 1 18 PHE QD . 18 PHE QD 1 1 229 1 1 1 1 14 LYS HG3 . 14 LYS HG3 1 1 229 1 2 1 1 18 PHE QE . 18 PHE QE 1 1 230 1 1 1 1 15 ALA H . 15 ALA H 1 1 230 1 2 1 1 15 ALA MB . 15 ALA QB 1 1 231 1 1 1 1 15 ALA H . 15 ALA H 1 1 231 1 2 1 1 16 THR H . 16 THR H 1 1 232 1 1 1 1 15 ALA H . 15 ALA H 1 1 232 1 2 1 1 16 THR HA . 16 THR HA 1 1 233 1 1 1 1 15 ALA HA . 15 ALA HA 1 1 233 1 2 1 1 16 THR H . 16 THR H 1 1 234 1 1 1 1 15 ALA HA . 15 ALA HA 1 1 234 1 2 1 1 18 PHE H . 18 PHE H 1 1 235 1 1 1 1 15 ALA HA . 15 ALA HA 1 1 235 1 2 1 1 18 PHE QB . 18 PHE QB 1 1 236 1 1 1 1 15 ALA HA . 15 ALA HA 1 1 236 1 2 1 1 18 PHE QD . 18 PHE QD 1 1 237 1 1 1 1 15 ALA HA . 15 ALA HA 1 1 237 1 2 1 1 19 GLY H . 19 GLY H 1 1 238 1 1 1 1 15 ALA MB . 15 ALA QB 1 1 238 1 2 1 1 16 THR H . 16 THR H 1 1 239 1 1 1 1 15 ALA MB . 15 ALA QB 1 1 239 1 2 1 1 16 THR HA . 16 THR HA 1 1 240 1 1 1 1 15 ALA MB . 15 ALA QB 1 1 240 1 2 1 1 17 ILE H . 17 ILE H 1 1 241 1 1 1 1 15 ALA MB . 15 ALA QB 1 1 241 1 2 1 1 18 PHE QB . 18 PHE QB 1 1 242 1 1 1 1 15 ALA MB . 15 ALA QB 1 1 242 1 2 1 1 19 GLY H . 19 GLY H 1 1 243 1 1 1 1 15 ALA MB . 15 ALA QB 1 1 243 1 2 1 1 20 LEU H . 20 LEU H 1 1 244 1 1 1 1 15 ALA MB . 15 ALA QB 1 1 244 1 2 1 1 20 LEU MD1 . 20 LEU QD1 1 1 245 1 1 1 1 16 THR H . 16 THR H 1 1 245 1 2 1 1 16 THR MG . 16 THR QG2 1 1 246 1 1 1 1 16 THR H . 16 THR H 1 1 246 1 2 1 1 17 ILE H . 17 ILE H 1 1 247 1 1 1 1 16 THR H . 16 THR H 1 1 247 1 2 1 1 17 ILE HB . 17 ILE HB 1 1 248 1 1 1 1 16 THR H . 16 THR H 1 1 248 1 2 1 1 17 ILE MG . 17 ILE QG2 1 1 249 1 1 1 1 16 THR H . 16 THR H 1 1 249 1 2 1 1 18 PHE H . 18 PHE H 1 1 250 1 1 1 1 16 THR H . 16 THR H 1 1 250 1 2 1 1 20 LEU H . 20 LEU H 1 1 251 1 1 1 1 16 THR H . 16 THR H 1 1 251 1 2 1 1 20 LEU HB2 . 20 LEU HB2 1 1 252 1 1 1 1 16 THR HA . 16 THR HA 1 1 252 1 2 1 1 16 THR MG . 16 THR QG2 1 1 253 1 1 1 1 16 THR HA . 16 THR HA 1 1 253 1 2 1 1 17 ILE H . 17 ILE H 1 1 254 1 1 1 1 16 THR HA . 16 THR HA 1 1 254 1 2 1 1 19 GLY H . 19 GLY H 1 1 255 1 1 1 1 16 THR HA . 16 THR HA 1 1 255 1 2 1 1 20 LEU H . 20 LEU H 1 1 256 1 1 1 1 16 THR HA . 16 THR HA 1 1 256 1 2 1 1 20 LEU HB2 . 20 LEU HB2 1 1 257 1 1 1 1 16 THR HA . 16 THR HA 1 1 257 1 2 1 1 20 LEU HB3 . 20 LEU HB3 1 1 258 1 1 1 1 16 THR HA . 16 THR HA 1 1 258 1 2 1 1 20 LEU MD1 . 20 LEU QD1 1 1 259 1 1 1 1 16 THR HA . 16 THR HA 1 1 259 1 2 1 1 20 LEU MD2 . 20 LEU QD2 1 1 260 1 1 1 1 16 THR HA . 16 THR HA 1 1 260 1 2 1 1 20 LEU HG . 20 LEU HG 1 1 261 1 1 1 1 16 THR HA . 16 THR HA 1 1 261 1 2 1 1 21 ALA H . 21 ALA H 1 1 262 1 1 1 1 16 THR HB . 16 THR HB 1 1 262 1 2 1 1 17 ILE H . 17 ILE H 1 1 263 1 1 1 1 16 THR HB . 16 THR HB 1 1 263 1 2 1 1 17 ILE HB . 17 ILE HB 1 1 264 1 1 1 1 16 THR MG . 16 THR QG2 1 1 264 1 2 1 1 17 ILE H . 17 ILE H 1 1 265 1 1 1 1 16 THR MG . 16 THR QG2 1 1 265 1 2 1 1 20 LEU H . 20 LEU H 1 1 266 1 1 1 1 16 THR MG . 16 THR QG2 1 1 266 1 2 1 1 20 LEU HB2 . 20 LEU HB2 1 1 267 1 1 1 1 16 THR MG . 16 THR QG2 1 1 267 1 2 1 1 20 LEU MD1 . 20 LEU QD1 1 1 268 1 1 1 1 16 THR MG . 16 THR QG2 1 1 268 1 2 1 1 20 LEU MD2 . 20 LEU QD2 1 1 269 1 1 1 1 16 THR MG . 16 THR QG2 1 1 269 1 2 1 1 21 ALA H . 21 ALA H 1 1 270 1 1 1 1 17 ILE H . 17 ILE H 1 1 270 1 2 1 1 17 ILE HB . 17 ILE HB 1 1 271 1 1 1 1 17 ILE H . 17 ILE H 1 1 271 1 2 1 1 17 ILE HG12 . 17 ILE HG12 1 1 272 1 1 1 1 17 ILE H . 17 ILE H 1 1 272 1 2 1 1 17 ILE QG . 17 ILE QG1 1 1 273 1 1 1 1 17 ILE H . 17 ILE H 1 1 273 1 2 1 1 17 ILE HG13 . 17 ILE HG13 1 1 274 1 1 1 1 17 ILE H . 17 ILE H 1 1 274 1 2 1 1 17 ILE MG . 17 ILE QG2 1 1 275 1 1 1 1 17 ILE H . 17 ILE H 1 1 275 1 2 1 1 18 PHE H . 18 PHE H 1 1 276 1 1 1 1 17 ILE HA . 17 ILE HA 1 1 276 1 2 1 1 17 ILE MD . 17 ILE QD1 1 1 277 1 1 1 1 17 ILE HA . 17 ILE HA 1 1 277 1 2 1 1 17 ILE QG . 17 ILE QG1 1 1 278 1 1 1 1 17 ILE HA . 17 ILE HA 1 1 278 1 2 1 1 18 PHE H . 18 PHE H 1 1 279 1 1 1 1 17 ILE HA . 17 ILE HA 1 1 279 1 2 1 1 18 PHE QD . 18 PHE QD 1 1 280 1 1 1 1 17 ILE HA . 17 ILE HA 1 1 280 1 2 1 1 21 ALA H . 21 ALA H 1 1 281 1 1 1 1 17 ILE HB . 17 ILE HB 1 1 281 1 2 1 1 17 ILE MD . 17 ILE QD1 1 1 282 1 1 1 1 17 ILE QG . 17 ILE QG1 1 1 282 1 2 1 1 18 PHE H . 18 PHE H 1 1 283 1 1 1 1 17 ILE QG . 17 ILE QG1 1 1 283 1 2 1 1 18 PHE QD . 18 PHE QD 1 1 284 1 1 1 1 17 ILE QG . 17 ILE QG1 1 1 284 1 2 1 1 18 PHE QE . 18 PHE QE 1 1 285 1 1 1 1 17 ILE MG . 17 ILE QG2 1 1 285 1 2 1 1 18 PHE H . 18 PHE H 1 1 286 1 1 1 1 17 ILE MG . 17 ILE QG2 1 1 286 1 2 1 1 18 PHE HA . 18 PHE HA 1 1 287 1 1 1 1 17 ILE MG . 17 ILE QG2 1 1 287 1 2 1 1 18 PHE QB . 18 PHE QB 1 1 288 1 1 1 1 17 ILE MG . 17 ILE QG2 1 1 288 1 2 1 1 18 PHE QD . 18 PHE QD 1 1 289 1 1 1 1 17 ILE MG . 17 ILE QG2 1 1 289 1 2 1 1 18 PHE QE . 18 PHE QE 1 1 290 1 1 1 1 18 PHE H . 18 PHE H 1 1 290 1 2 1 1 18 PHE QB . 18 PHE QB 1 1 291 1 1 1 1 18 PHE H . 18 PHE H 1 1 291 1 2 1 1 18 PHE QD . 18 PHE QD 1 1 292 1 1 1 1 18 PHE H . 18 PHE H 1 1 292 1 2 1 1 19 GLY H . 19 GLY H 1 1 293 1 1 1 1 18 PHE H . 18 PHE H 1 1 293 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 294 1 1 1 1 18 PHE HA . 18 PHE HA 1 1 294 1 2 1 1 18 PHE QD . 18 PHE QD 1 1 295 1 1 1 1 18 PHE HA . 18 PHE HA 1 1 295 1 2 1 1 19 GLY H . 19 GLY H 1 1 296 1 1 1 1 18 PHE HA . 18 PHE HA 1 1 296 1 2 1 1 21 ALA H . 21 ALA H 1 1 297 1 1 1 1 18 PHE HA . 18 PHE HA 1 1 297 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 298 1 1 1 1 18 PHE QB . 18 PHE QB 1 1 298 1 2 1 1 19 GLY H . 19 GLY H 1 1 299 1 1 1 1 18 PHE QB . 18 PHE QB 1 1 299 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 300 1 1 1 1 18 PHE QD . 18 PHE QD 1 1 300 1 2 1 1 19 GLY H . 19 GLY H 1 1 301 1 1 1 1 18 PHE QD . 18 PHE QD 1 1 301 1 2 1 1 21 ALA H . 21 ALA H 1 1 302 1 1 1 1 19 GLY H . 19 GLY H 1 1 302 1 2 1 1 20 LEU H . 20 LEU H 1 1 303 1 1 1 1 19 GLY H . 19 GLY H 1 1 303 1 2 1 1 20 LEU HB2 . 20 LEU HB2 1 1 304 1 1 1 1 19 GLY H . 19 GLY H 1 1 304 1 2 1 1 21 ALA MB . 21 ALA QB 1 1 305 1 1 1 1 19 GLY HA2 . 19 GLY HA2 1 1 305 1 2 1 1 21 ALA H . 21 ALA H 1 1 306 1 1 1 1 19 GLY HA3 . 19 GLY HA3 1 1 306 1 2 1 1 20 LEU H . 20 LEU H 1 1 307 1 1 1 1 19 GLY HA3 . 19 GLY HA3 1 1 307 1 2 1 1 20 LEU MD1 . 20 LEU QD1 1 1 308 1 1 1 1 19 GLY HA3 . 19 GLY HA3 1 1 308 1 2 1 1 21 ALA H . 21 ALA H 1 1 309 1 1 1 1 20 LEU H . 20 LEU H 1 1 309 1 2 1 1 20 LEU HB2 . 20 LEU HB2 1 1 310 1 1 1 1 20 LEU H . 20 LEU H 1 1 310 1 2 1 1 20 LEU HB3 . 20 LEU HB3 1 1 311 1 1 1 1 20 LEU H . 20 LEU H 1 1 311 1 2 1 1 20 LEU MD1 . 20 LEU QD1 1 1 312 1 1 1 1 20 LEU H . 20 LEU H 1 1 312 1 2 1 1 20 LEU MD2 . 20 LEU QD2 1 1 313 1 1 1 1 20 LEU H . 20 LEU H 1 1 313 1 2 1 1 20 LEU HG . 20 LEU HG 1 1 314 1 1 1 1 20 LEU H . 20 LEU H 1 1 314 1 2 1 1 21 ALA H . 21 ALA H 1 1 315 1 1 1 1 20 LEU HA . 20 LEU HA 1 1 315 1 2 1 1 20 LEU MD1 . 20 LEU QD1 1 1 316 1 1 1 1 20 LEU HA . 20 LEU HA 1 1 316 1 2 1 1 20 LEU HG . 20 LEU HG 1 1 317 1 1 1 1 20 LEU HA . 20 LEU HA 1 1 317 1 2 1 1 21 ALA H . 21 ALA H 1 1 318 1 1 1 1 20 LEU HA . 20 LEU HA 1 1 318 1 2 1 1 22 ALA H . 22 ALA H 1 1 319 1 1 1 1 20 LEU HB2 . 20 LEU HB2 1 1 319 1 2 1 1 20 LEU MD1 . 20 LEU QD1 1 1 320 1 1 1 1 20 LEU HB2 . 20 LEU HB2 1 1 320 1 2 1 1 21 ALA H . 21 ALA H 1 1 321 1 1 1 1 20 LEU HB3 . 20 LEU HB3 1 1 321 1 2 1 1 20 LEU MD2 . 20 LEU QD2 1 1 322 1 1 1 1 20 LEU HB3 . 20 LEU HB3 1 1 322 1 2 1 1 21 ALA H . 21 ALA H 1 1 323 1 1 1 1 20 LEU HB3 . 20 LEU HB3 1 1 323 1 2 1 1 22 ALA H . 22 ALA H 1 1 324 1 1 1 1 20 LEU HB3 . 20 LEU HB3 1 1 324 1 2 1 1 24 ALA H . 24 ALA H 1 1 325 1 1 1 1 20 LEU MD1 . 20 LEU QD1 1 1 325 1 2 1 1 21 ALA H . 21 ALA H 1 1 326 1 1 1 1 20 LEU MD1 . 20 LEU QD1 1 1 326 1 2 1 1 23 TRP HB2 . 23 TRP HB2 1 1 327 1 1 1 1 20 LEU MD1 . 20 LEU QD1 1 1 327 1 2 1 1 23 TRP HB3 . 23 TRP HB3 1 1 328 1 1 1 1 20 LEU MD2 . 20 LEU QD2 1 1 328 1 2 1 1 21 ALA H . 21 ALA H 1 1 329 1 1 1 1 20 LEU MD2 . 20 LEU QD2 1 1 329 1 2 1 1 23 TRP HB2 . 23 TRP HB2 1 1 330 1 1 1 1 20 LEU MD2 . 20 LEU QD2 1 1 330 1 2 1 1 23 TRP HB3 . 23 TRP HB3 1 1 331 1 1 1 1 20 LEU MD2 . 20 LEU QD2 1 1 331 1 2 1 1 24 ALA MB . 24 ALA QB 1 1 332 1 1 1 1 20 LEU HG . 20 LEU HG 1 1 332 1 2 1 1 21 ALA H . 21 ALA H 1 1 333 1 1 1 1 20 LEU HG . 20 LEU HG 1 1 333 1 2 1 1 24 ALA H . 24 ALA H 1 1 334 1 1 1 1 21 ALA H . 21 ALA H 1 1 334 1 2 1 1 24 ALA MB . 24 ALA QB 1 1 335 1 1 1 1 21 ALA H . 21 ALA H 1 1 335 1 2 1 1 25 LEU HB2 . 25 LEU HB2 1 1 336 1 1 1 1 21 ALA HA . 21 ALA HA 1 1 336 1 2 1 1 23 TRP H . 23 TRP H 1 1 337 1 1 1 1 21 ALA HA . 21 ALA HA 1 1 337 1 2 1 1 24 ALA H . 24 ALA H 1 1 338 1 1 1 1 21 ALA HA . 21 ALA HA 1 1 338 1 2 1 1 24 ALA MB . 24 ALA QB 1 1 339 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 339 1 2 1 1 25 LEU H . 25 LEU H 1 1 340 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 340 1 2 1 1 25 LEU HB2 . 25 LEU HB2 1 1 341 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 341 1 2 1 1 25 LEU MD1 . 25 LEU QD1 1 1 342 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 342 1 2 1 1 25 LEU QD . 25 LEU QQD 1 1 343 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 343 1 2 1 1 25 LEU MD2 . 25 LEU QD2 1 1 344 1 1 1 1 21 ALA MB . 21 ALA QB 1 1 344 1 2 1 1 26 LEU H . 26 LEU H 1 1 345 1 1 1 1 22 ALA H . 22 ALA H 1 1 345 1 2 1 1 22 ALA MB . 22 ALA QB 1 1 346 1 1 1 1 22 ALA H . 22 ALA H 1 1 346 1 2 1 1 23 TRP H . 23 TRP H 1 1 347 1 1 1 1 22 ALA H . 22 ALA H 1 1 347 1 2 1 1 23 TRP HB2 . 23 TRP HB2 1 1 348 1 1 1 1 22 ALA H . 22 ALA H 1 1 348 1 2 1 1 23 TRP HB3 . 23 TRP HB3 1 1 349 1 1 1 1 22 ALA H . 22 ALA H 1 1 349 1 2 1 1 24 ALA MB . 24 ALA QB 1 1 350 1 1 1 1 22 ALA H . 22 ALA H 1 1 350 1 2 1 1 25 LEU H . 25 LEU H 1 1 351 1 1 1 1 22 ALA H . 22 ALA H 1 1 351 1 2 1 1 26 LEU H . 26 LEU H 1 1 352 1 1 1 1 22 ALA HA . 22 ALA HA 1 1 352 1 2 1 1 23 TRP H . 23 TRP H 1 1 353 1 1 1 1 22 ALA HA . 22 ALA HA 1 1 353 1 2 1 1 26 LEU H . 26 LEU H 1 1 354 1 1 1 1 22 ALA HA . 22 ALA HA 1 1 354 1 2 1 1 27 ALA H . 27 ALA H 1 1 355 1 1 1 1 22 ALA MB . 22 ALA QB 1 1 355 1 2 1 1 23 TRP H . 23 TRP H 1 1 356 1 1 1 1 22 ALA MB . 22 ALA QB 1 1 356 1 2 1 1 23 TRP HA . 23 TRP HA 1 1 357 1 1 1 1 22 ALA MB . 22 ALA QB 1 1 357 1 2 1 1 23 TRP HB2 . 23 TRP HB2 1 1 358 1 1 1 1 22 ALA MB . 22 ALA QB 1 1 358 1 2 1 1 23 TRP HB3 . 23 TRP HB3 1 1 359 1 1 1 1 22 ALA MB . 22 ALA QB 1 1 359 1 2 1 1 23 TRP HE3 . 23 TRP HE3 1 1 360 1 1 1 1 22 ALA MB . 22 ALA QB 1 1 360 1 2 1 1 23 TRP HZ3 . 23 TRP HZ3 1 1 361 1 1 1 1 22 ALA MB . 22 ALA QB 1 1 361 1 2 1 1 26 LEU MD2 . 26 LEU QD2 1 1 362 1 1 1 1 22 ALA MB . 22 ALA QB 1 1 362 1 2 1 1 27 ALA H . 27 ALA H 1 1 363 1 1 1 1 23 TRP H . 23 TRP H 1 1 363 1 2 1 1 24 ALA H . 24 ALA H 1 1 364 1 1 1 1 23 TRP H . 23 TRP H 1 1 364 1 2 1 1 24 ALA MB . 24 ALA QB 1 1 365 1 1 1 1 23 TRP H . 23 TRP H 1 1 365 1 2 1 1 25 LEU H . 25 LEU H 1 1 366 1 1 1 1 23 TRP H . 23 TRP H 1 1 366 1 2 1 1 26 LEU HB3 . 26 LEU HB3 1 1 367 1 1 1 1 23 TRP H . 23 TRP H 1 1 367 1 2 1 1 27 ALA H . 27 ALA H 1 1 368 1 1 1 1 23 TRP HA . 23 TRP HA 1 1 368 1 2 1 1 23 TRP HD1 . 23 TRP HD1 1 1 369 1 1 1 1 23 TRP HA . 23 TRP HA 1 1 369 1 2 1 1 23 TRP HE3 . 23 TRP HE3 1 1 370 1 1 1 1 23 TRP HA . 23 TRP HA 1 1 370 1 2 1 1 23 TRP HZ3 . 23 TRP HZ3 1 1 371 1 1 1 1 23 TRP HA . 23 TRP HA 1 1 371 1 2 1 1 24 ALA H . 24 ALA H 1 1 372 1 1 1 1 23 TRP HA . 23 TRP HA 1 1 372 1 2 1 1 27 ALA H . 27 ALA H 1 1 373 1 1 1 1 23 TRP HA . 23 TRP HA 1 1 373 1 2 1 1 27 ALA MB . 27 ALA QB 1 1 374 1 1 1 1 23 TRP HB2 . 23 TRP HB2 1 1 374 1 2 1 1 24 ALA H . 24 ALA H 1 1 375 1 1 1 1 23 TRP HB2 . 23 TRP HB2 1 1 375 1 2 1 1 24 ALA MB . 24 ALA QB 1 1 376 1 1 1 1 23 TRP HB2 . 23 TRP HB2 1 1 376 1 2 1 1 27 ALA MB . 27 ALA QB 1 1 377 1 1 1 1 23 TRP HB3 . 23 TRP HB3 1 1 377 1 2 1 1 24 ALA H . 24 ALA H 1 1 378 1 1 1 1 23 TRP HB3 . 23 TRP HB3 1 1 378 1 2 1 1 24 ALA MB . 24 ALA QB 1 1 379 1 1 1 1 23 TRP HB3 . 23 TRP HB3 1 1 379 1 2 1 1 27 ALA MB . 27 ALA QB 1 1 380 1 1 1 1 23 TRP HD1 . 23 TRP HD1 1 1 380 1 2 1 1 24 ALA H . 24 ALA H 1 1 381 1 1 1 1 23 TRP HD1 . 23 TRP HD1 1 1 381 1 2 1 1 24 ALA HA . 24 ALA HA 1 1 382 1 1 1 1 23 TRP HD1 . 23 TRP HD1 1 1 382 1 2 1 1 27 ALA MB . 27 ALA QB 1 1 383 1 1 1 1 23 TRP HE1 . 23 TRP HE1 1 1 383 1 2 1 1 27 ALA MB . 27 ALA QB 1 1 384 1 1 1 1 23 TRP HE3 . 23 TRP HE3 1 1 384 1 2 1 1 26 LEU MD2 . 26 LEU QD2 1 1 385 1 1 1 1 23 TRP HE3 . 23 TRP HE3 1 1 385 1 2 1 1 27 ALA H . 27 ALA H 1 1 386 1 1 1 1 23 TRP HE3 . 23 TRP HE3 1 1 386 1 2 1 1 27 ALA MB . 27 ALA QB 1 1 387 1 1 1 1 23 TRP HH2 . 23 TRP HH2 1 1 387 1 2 1 1 27 ALA MB . 27 ALA QB 1 1 388 1 1 1 1 23 TRP HZ3 . 23 TRP HZ3 1 1 388 1 2 1 1 26 LEU MD2 . 26 LEU QD2 1 1 389 1 1 1 1 23 TRP HZ3 . 23 TRP HZ3 1 1 389 1 2 1 1 27 ALA MB . 27 ALA QB 1 1 390 1 1 1 1 24 ALA H . 24 ALA H 1 1 390 1 2 1 1 24 ALA MB . 24 ALA QB 1 1 391 1 1 1 1 24 ALA HA . 24 ALA HA 1 1 391 1 2 1 1 25 LEU H . 25 LEU H 1 1 392 1 1 1 1 24 ALA MB . 24 ALA QB 1 1 392 1 2 1 1 25 LEU H . 25 LEU H 1 1 393 1 1 1 1 24 ALA MB . 24 ALA QB 1 1 393 1 2 1 1 25 LEU QD . 25 LEU QQD 1 1 394 1 1 1 1 25 LEU H . 25 LEU H 1 1 394 1 2 1 1 25 LEU HB2 . 25 LEU HB2 1 1 395 1 1 1 1 25 LEU H . 25 LEU H 1 1 395 1 2 1 1 25 LEU HB3 . 25 LEU HB3 1 1 396 1 1 1 1 25 LEU H . 25 LEU H 1 1 396 1 2 1 1 25 LEU QD . 25 LEU QQD 1 1 397 1 1 1 1 25 LEU HA . 25 LEU HA 1 1 397 1 2 1 1 25 LEU HB3 . 25 LEU HB3 1 1 398 1 1 1 1 25 LEU HA . 25 LEU HA 1 1 398 1 2 1 1 25 LEU QD . 25 LEU QQD 1 1 399 1 1 1 1 25 LEU HA . 25 LEU HA 1 1 399 1 2 1 1 25 LEU HG . 25 LEU HG 1 1 400 1 1 1 1 25 LEU HA . 25 LEU HA 1 1 400 1 2 1 1 27 ALA H . 27 ALA H 1 1 401 1 1 1 1 25 LEU HB2 . 25 LEU HB2 1 1 401 1 2 1 1 26 LEU H . 26 LEU H 1 1 402 1 1 1 1 25 LEU HB2 . 25 LEU HB2 1 1 402 1 2 1 1 27 ALA H . 27 ALA H 1 1 403 1 1 1 1 25 LEU HB3 . 25 LEU HB3 1 1 403 1 2 1 1 26 LEU H . 26 LEU H 1 1 404 1 1 1 1 25 LEU HB3 . 25 LEU HB3 1 1 404 1 2 1 1 27 ALA H . 27 ALA H 1 1 405 1 1 1 1 25 LEU QD . 25 LEU QQD 1 1 405 1 2 1 1 26 LEU H . 26 LEU H 1 1 406 1 1 1 1 25 LEU MD1 . 25 LEU QD1 1 1 406 1 2 1 1 26 LEU H . 26 LEU H 1 1 407 1 1 1 1 25 LEU MD2 . 25 LEU QD2 1 1 407 1 2 1 1 26 LEU H . 26 LEU H 1 1 408 1 1 1 1 26 LEU H . 26 LEU H 1 1 408 1 2 1 1 26 LEU HB3 . 26 LEU HB3 1 1 409 1 1 1 1 26 LEU H . 26 LEU H 1 1 409 1 2 1 1 26 LEU MD1 . 26 LEU QD1 1 1 410 1 1 1 1 26 LEU H . 26 LEU H 1 1 410 1 2 1 1 26 LEU MD2 . 26 LEU QD2 1 1 411 1 1 1 1 26 LEU H . 26 LEU H 1 1 411 1 2 1 1 26 LEU HG . 26 LEU HG 1 1 412 1 1 1 1 26 LEU HA . 26 LEU HA 1 1 412 1 2 1 1 26 LEU MD1 . 26 LEU QD1 1 1 413 1 1 1 1 26 LEU HA . 26 LEU HA 1 1 413 1 2 1 1 27 ALA H . 27 ALA H 1 1 414 1 1 1 1 26 LEU HB3 . 26 LEU HB3 1 1 414 1 2 1 1 26 LEU MD2 . 26 LEU QD2 1 1 415 1 1 1 1 26 LEU HB3 . 26 LEU HB3 1 1 415 1 2 1 1 27 ALA H . 27 ALA H 1 1 416 1 1 1 1 26 LEU HB3 . 26 LEU HB3 1 1 416 1 2 1 1 27 ALA MB . 27 ALA QB 1 1 417 1 1 1 1 26 LEU MD1 . 26 LEU QD1 1 1 417 1 2 1 1 27 ALA H . 27 ALA H 1 1 418 1 1 1 1 26 LEU MD1 . 26 LEU QD1 1 1 418 1 2 1 1 27 ALA HA . 27 ALA HA 1 1 419 1 1 1 1 26 LEU MD2 . 26 LEU QD2 1 1 419 1 2 1 1 27 ALA H . 27 ALA H 1 1 420 1 1 1 1 26 LEU HG . 26 LEU HG 1 1 420 1 2 1 1 27 ALA H . 27 ALA H 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 4.13 1 1 2 1 . . . . . . . 3.54 1 1 3 1 . . . . . . . 3.21 1 1 4 1 . . . . . . . 3.43 1 1 5 1 . . . . . . . 4.75 1 1 6 1 . . . . . . . 4.47 1 1 7 1 . . . . . . . 4.53 1 1 8 1 . . . . . . . 5.5 1 1 9 1 . . . . . . . 3.4 1 1 10 1 . . . . . . . 4.12 1 1 11 1 . . . . . . . 3.59 1 1 12 1 . . . . . . . 5.23 1 1 13 1 . . . . . . . 4.77 1 1 14 1 . . . . . . . 4.19 1 1 15 1 . . . . . . . 4.77 1 1 16 1 . . . . . . . 4.74 1 1 17 1 . . . . . . . 5.5 1 1 18 1 . . . . . . . 4.61 1 1 19 1 . . . . . . . 4.14 1 1 20 1 . . . . . . . 3.1 1 1 21 1 . . . . . . . 3.39 1 1 22 1 . . . . . . . 5.31 1 1 23 1 . . . . . . . 5.09 1 1 24 1 . . . . . . . 5.13 1 1 25 1 . . . . . . . 5.46 1 1 26 1 . . . . . . . 3.33 1 1 27 1 . . . . . . . 4.05 1 1 28 1 . . . . . . . 4.14 1 1 29 1 . . . . . . . 4.14 1 1 30 1 . . . . . . . 4.26 1 1 31 1 . . . . . . . 5.04 1 1 32 1 . . . . . . . 5.02 1 1 33 1 . . . . . . . 5.34 1 1 34 1 . . . . . . . 5.34 1 1 35 1 . . . . . . . 5.22 1 1 36 1 . . . . . . . 3.72 1 1 37 1 . . . . . . . 5.31 1 1 38 1 . . . . . . . 4.55 1 1 39 1 . . . . . . . 5.31 1 1 40 1 . . . . . . . 4.72 1 1 41 1 . . . . . . . 5.5 1 1 42 1 . . . . . . . 4.43 1 1 43 1 . . . . . . . 5.34 1 1 44 1 . . . . . . . 5.29 1 1 45 1 . . . . . . . 4.13 1 1 46 1 . . . . . . . 3.54 1 1 47 1 . . . . . . . 4.13 1 1 48 1 . . . . . . . 3.06 1 1 49 1 . . . . . . . 4.06 1 1 50 1 . . . . . . . 4.83 1 1 51 1 . . . . . . . 4.42 1 1 52 1 . . . . . . . 5.46 1 1 53 1 . . . . . . . 3.09 1 1 54 1 . . . . . . . 2.83 1 1 55 1 . . . . . . . 4.5 1 1 56 1 . . . . . . . 4.14 1 1 57 1 . . . . . . . 5.26 1 1 58 1 . . . . . . . 5.34 1 1 59 1 . . . . . . . 5.44 1 1 60 1 . . . . . . . 4.73 1 1 61 1 . . . . . . . 4.66 1 1 62 1 . . . . . . . 5.5 1 1 63 1 . . . . . . . 5.5 1 1 64 1 . . . . . . . 4.66 1 1 65 1 . . . . . . . 5.5 1 1 66 1 . . . . . . . 5.5 1 1 67 1 . . . . . . . 4.6 1 1 68 1 . . . . . . . 5.5 1 1 69 1 . . . . . . . 5.38 1 1 70 1 . . . . . . . 5.5 1 1 71 1 . . . . . . . 4.27 1 1 72 1 . . . . . . . 5.48 1 1 73 1 . . . . . . . 5.02 1 1 74 1 . . . . . . . 5.5 1 1 75 1 . . . . . . . 5.5 1 1 76 1 . . . . . . . 5.5 1 1 77 1 . . . . . . . 3.38 1 1 78 1 . . . . . . . 5.5 1 1 79 1 . . . . . . . 4.4 1 1 80 1 . . . . . . . 4.1 1 1 81 1 . . . . . . . 5.5 1 1 82 1 . . . . . . . 4.25 1 1 83 1 . . . . . . . 4.98 1 1 84 1 . . . . . . . 5.31 1 1 85 1 . . . . . . . 5.41 1 1 86 1 . . . . . . . 5.5 1 1 87 1 . . . . . . . 3.87 1 1 88 1 . . . . . . . 4.05 1 1 89 1 . . . . . . . 4.49 1 1 90 1 . . . . . . . 5.5 1 1 91 1 . . . . . . . 4.44 1 1 92 1 . . . . . . . 5.11 1 1 93 1 . . . . . . . 5.5 1 1 94 1 . . . . . . . 5.5 1 1 95 1 . . . . . . . 5.5 1 1 96 1 . . . . . . . 4.0 1 1 97 1 . . . . . . . 4.97 1 1 98 1 . . . . . . . 3.43 1 1 99 1 . . . . . . . 5.13 1 1 100 1 . . . . . . . 5.5 1 1 101 1 . . . . . . . 5.5 1 1 102 1 . . . . . . . 5.5 1 1 103 1 . . . . . . . 4.75 1 1 104 1 . . . . . . . 5.47 1 1 105 1 . . . . . . . 5.5 1 1 106 1 . . . . . . . 5.5 1 1 107 1 . . . . . . . 5.5 1 1 108 1 . . . . . . . 3.59 1 1 109 1 . . . . . . . 5.34 1 1 110 1 . . . . . . . 4.11 1 1 111 1 . . . . . . . 5.5 1 1 112 1 . . . . . . . 4.28 1 1 113 1 . . . . . . . 4.83 1 1 114 1 . . . . . . . 3.49 1 1 115 1 . . . . . . . 3.79 1 1 116 1 . . . . . . . 4.65 1 1 117 1 . . . . . . . 4.65 1 1 118 1 . . . . . . . 3.8 1 1 119 1 . . . . . . . 5.43 1 1 120 1 . . . . . . . 4.89 1 1 121 1 . . . . . . . 4.3 1 1 122 1 . . . . . . . 4.89 1 1 123 1 . . . . . . . 5.5 1 1 124 1 . . . . . . . 5.45 1 1 125 1 . . . . . . . 4.33 1 1 126 1 . . . . . . . 4.93 1 1 127 1 . . . . . . . 4.91 1 1 128 1 . . . . . . . 4.55 1 1 129 1 . . . . . . . 5.4 1 1 130 1 . . . . . . . 5.22 1 1 131 1 . . . . . . . 4.21 1 1 132 1 . . . . . . . 5.5 1 1 133 1 . . . . . . . 5.5 1 1 134 1 . . . . . . . 5.5 1 1 135 1 . . . . . . . 5.48 1 1 136 1 . . . . . . . 5.31 1 1 137 1 . . . . . . . 5.5 1 1 138 1 . . . . . . . 5.5 1 1 139 1 . . . . . . . 4.72 1 1 140 1 . . . . . . . 5.43 1 1 141 1 . . . . . . . 5.43 1 1 142 1 . . . . . . . 4.37 1 1 143 1 . . . . . . . 5.5 1 1 144 1 . . . . . . . 5.5 1 1 145 1 . . . . . . . 5.5 1 1 146 1 . . . . . . . 5.5 1 1 147 1 . . . . . . . 4.97 1 1 148 1 . . . . . . . 3.0 1 1 149 1 . . . . . . . 4.8 1 1 150 1 . . . . . . . 4.13 1 1 151 1 . . . . . . . 3.56 1 1 152 1 . . . . . . . 5.5 1 1 153 1 . . . . . . . 3.68 1 1 154 1 . . . . . . . 5.15 1 1 155 1 . . . . . . . 5.17 1 1 156 1 . . . . . . . 4.1 1 1 157 1 . . . . . . . 4.5 1 1 158 1 . . . . . . . 3.56 1 1 159 1 . . . . . . . 5.19 1 1 160 1 . . . . . . . 5.5 1 1 161 1 . . . . . . . 4.19 1 1 162 1 . . . . . . . 3.65 1 1 163 1 . . . . . . . 4.71 1 1 164 1 . . . . . . . 5.5 1 1 165 1 . . . . . . . 5.25 1 1 166 1 . . . . . . . 5.06 1 1 167 1 . . . . . . . 4.03 1 1 168 1 . . . . . . . 5.09 1 1 169 1 . . . . . . . 3.72 1 1 170 1 . . . . . . . 4.12 1 1 171 1 . . . . . . . 3.94 1 1 172 1 . . . . . . . 4.94 1 1 173 1 . . . . . . . 4.33 1 1 174 1 . . . . . . . 3.8 1 1 175 1 . . . . . . . 5.02 1 1 176 1 . . . . . . . 3.55 1 1 177 1 . . . . . . . 4.05 1 1 178 1 . . . . . . . 5.5 1 1 179 1 . . . . . . . 5.5 1 1 180 1 . . . . . . . 5.5 1 1 181 1 . . . . . . . 4.45 1 1 182 1 . . . . . . . 5.46 1 1 183 1 . . . . . . . 5.5 1 1 184 1 . . . . . . . 5.5 1 1 185 1 . . . . . . . 5.5 1 1 186 1 . . . . . . . 5.5 1 1 187 1 . . . . . . . 4.48 1 1 188 1 . . . . . . . 5.5 1 1 189 1 . . . . . . . 3.62 1 1 190 1 . . . . . . . 5.24 1 1 191 1 . . . . . . . 5.49 1 1 192 1 . . . . . . . 3.5 1 1 193 1 . . . . . . . 3.43 1 1 194 1 . . . . . . . 3.6 1 1 195 1 . . . . . . . 5.5 1 1 196 1 . . . . . . . 5.07 1 1 197 1 . . . . . . . 4.66 1 1 198 1 . . . . . . . 4.3 1 1 199 1 . . . . . . . 3.77 1 1 200 1 . . . . . . . 5.22 1 1 201 1 . . . . . . . 5.5 1 1 202 1 . . . . . . . 4.77 1 1 203 1 . . . . . . . 4.8 1 1 204 1 . . . . . . . 4.1 1 1 205 1 . . . . . . . 5.48 1 1 206 1 . . . . . . . 3.96 1 1 207 1 . . . . . . . 3.73 1 1 208 1 . . . . . . . 2.7 1 1 209 1 . . . . . . . 3.48 1 1 210 1 . . . . . . . 5.5 1 1 211 1 . . . . . . . 5.5 1 1 212 1 . . . . . . . 3.86 1 1 213 1 . . . . . . . 5.26 1 1 214 1 . . . . . . . 5.5 1 1 215 1 . . . . . . . 5.5 1 1 216 1 . . . . . . . 5.5 1 1 217 1 . . . . . . . 4.5 1 1 218 1 . . . . . . . 5.5 1 1 219 1 . . . . . . . 4.44 1 1 220 1 . . . . . . . 5.5 1 1 221 1 . . . . . . . 2.4 1 1 222 1 . . . . . . . 5.5 1 1 223 1 . . . . . . . 5.5 1 1 224 1 . . . . . . . 3.49 1 1 225 1 . . . . . . . 5.0 1 1 226 1 . . . . . . . 4.54 1 1 227 1 . . . . . . . 4.8 1 1 228 1 . . . . . . . 4.54 1 1 229 1 . . . . . . . 4.8 1 1 230 1 . . . . . . . 3.62 1 1 231 1 . . . . . . . 4.14 1 1 232 1 . . . . . . . 5.3 1 1 233 1 . . . . . . . 3.46 1 1 234 1 . . . . . . . 4.36 1 1 235 1 . . . . . . . 3.61 1 1 236 1 . . . . . . . 4.68 1 1 237 1 . . . . . . . 4.12 1 1 238 1 . . . . . . . 4.0 1 1 239 1 . . . . . . . 3.97 1 1 240 1 . . . . . . . 4.92 1 1 241 1 . . . . . . . 5.5 1 1 242 1 . . . . . . . 5.5 1 1 243 1 . . . . . . . 4.05 1 1 244 1 . . . . . . . 4.59 1 1 245 1 . . . . . . . 4.44 1 1 246 1 . . . . . . . 4.2 1 1 247 1 . . . . . . . 5.5 1 1 248 1 . . . . . . . 4.4 1 1 249 1 . . . . . . . 5.4 1 1 250 1 . . . . . . . 4.56 1 1 251 1 . . . . . . . 4.75 1 1 252 1 . . . . . . . 3.27 1 1 253 1 . . . . . . . 4.3 1 1 254 1 . . . . . . . 5.15 1 1 255 1 . . . . . . . 3.44 1 1 256 1 . . . . . . . 4.52 1 1 257 1 . . . . . . . 4.75 1 1 258 1 . . . . . . . 3.9 1 1 259 1 . . . . . . . 3.58 1 1 260 1 . . . . . . . 5.44 1 1 261 1 . . . . . . . 5.5 1 1 262 1 . . . . . . . 4.15 1 1 263 1 . . . . . . . 4.35 1 1 264 1 . . . . . . . 4.48 1 1 265 1 . . . . . . . 5.5 1 1 266 1 . . . . . . . 4.21 1 1 267 1 . . . . . . . 2.99 1 1 268 1 . . . . . . . 3.19 1 1 269 1 . . . . . . . 5.5 1 1 270 1 . . . . . . . 3.96 1 1 271 1 . . . . . . . 5.11 1 1 272 1 . . . . . . . 4.35 1 1 273 1 . . . . . . . 5.11 1 1 274 1 . . . . . . . 4.12 1 1 275 1 . . . . . . . 4.36 1 1 276 1 . . . . . . . 4.08 1 1 277 1 . . . . . . . 3.52 1 1 278 1 . . . . . . . 4.0 1 1 279 1 . . . . . . . 5.5 1 1 280 1 . . . . . . . 5.5 1 1 281 1 . . . . . . . 3.54 1 1 282 1 . . . . . . . 4.57 1 1 283 1 . . . . . . . 4.71 1 1 284 1 . . . . . . . 5.01 1 1 285 1 . . . . . . . 4.23 1 1 286 1 . . . . . . . 3.66 1 1 287 1 . . . . . . . 4.35 1 1 288 1 . . . . . . . 4.07 1 1 289 1 . . . . . . . 4.64 1 1 290 1 . . . . . . . 3.61 1 1 291 1 . . . . . . . 4.5 1 1 292 1 . . . . . . . 4.11 1 1 293 1 . . . . . . . 5.48 1 1 294 1 . . . . . . . 3.91 1 1 295 1 . . . . . . . 4.43 1 1 296 1 . . . . . . . 4.46 1 1 297 1 . . . . . . . 3.78 1 1 298 1 . . . . . . . 4.19 1 1 299 1 . . . . . . . 4.2 1 1 300 1 . . . . . . . 4.98 1 1 301 1 . . . . . . . 5.5 1 1 302 1 . . . . . . . 4.22 1 1 303 1 . . . . . . . 5.5 1 1 304 1 . . . . . . . 5.5 1 1 305 1 . . . . . . . 5.5 1 1 306 1 . . . . . . . 3.56 1 1 307 1 . . . . . . . 4.68 1 1 308 1 . . . . . . . 5.5 1 1 309 1 . . . . . . . 4.06 1 1 310 1 . . . . . . . 4.18 1 1 311 1 . . . . . . . 4.61 1 1 312 1 . . . . . . . 4.65 1 1 313 1 . . . . . . . 4.39 1 1 314 1 . . . . . . . 3.76 1 1 315 1 . . . . . . . 3.56 1 1 316 1 . . . . . . . 3.47 1 1 317 1 . . . . . . . 4.67 1 1 318 1 . . . . . . . 4.61 1 1 319 1 . . . . . . . 3.52 1 1 320 1 . . . . . . . 4.59 1 1 321 1 . . . . . . . 3.17 1 1 322 1 . . . . . . . 5.11 1 1 323 1 . . . . . . . 5.08 1 1 324 1 . . . . . . . 5.08 1 1 325 1 . . . . . . . 5.19 1 1 326 1 . . . . . . . 4.89 1 1 327 1 . . . . . . . 5.5 1 1 328 1 . . . . . . . 4.91 1 1 329 1 . . . . . . . 5.5 1 1 330 1 . . . . . . . 5.12 1 1 331 1 . . . . . . . 5.25 1 1 332 1 . . . . . . . 4.95 1 1 333 1 . . . . . . . 4.32 1 1 334 1 . . . . . . . 4.67 1 1 335 1 . . . . . . . 5.5 1 1 336 1 . . . . . . . 5.5 1 1 337 1 . . . . . . . 4.4 1 1 338 1 . . . . . . . 3.77 1 1 339 1 . . . . . . . 4.41 1 1 340 1 . . . . . . . 3.04 1 1 341 1 . . . . . . . 5.5 1 1 342 1 . . . . . . . 4.5 1 1 343 1 . . . . . . . 5.5 1 1 344 1 . . . . . . . 4.95 1 1 345 1 . . . . . . . 3.47 1 1 346 1 . . . . . . . 3.92 1 1 347 1 . . . . . . . 4.84 1 1 348 1 . . . . . . . 5.5 1 1 349 1 . . . . . . . 5.5 1 1 350 1 . . . . . . . 5.0 1 1 351 1 . . . . . . . 5.41 1 1 352 1 . . . . . . . 3.5 1 1 353 1 . . . . . . . 4.23 1 1 354 1 . . . . . . . 4.57 1 1 355 1 . . . . . . . 4.64 1 1 356 1 . . . . . . . 3.95 1 1 357 1 . . . . . . . 4.09 1 1 358 1 . . . . . . . 5.05 1 1 359 1 . . . . . . . 5.07 1 1 360 1 . . . . . . . 4.84 1 1 361 1 . . . . . . . 2.78 1 1 362 1 . . . . . . . 5.24 1 1 363 1 . . . . . . . 4.67 1 1 364 1 . . . . . . . 5.5 1 1 365 1 . . . . . . . 4.37 1 1 366 1 . . . . . . . 5.5 1 1 367 1 . . . . . . . 5.5 1 1 368 1 . . . . . . . 4.41 1 1 369 1 . . . . . . . 4.0 1 1 370 1 . . . . . . . 4.74 1 1 371 1 . . . . . . . 3.67 1 1 372 1 . . . . . . . 4.37 1 1 373 1 . . . . . . . 3.65 1 1 374 1 . . . . . . . 3.88 1 1 375 1 . . . . . . . 4.83 1 1 376 1 . . . . . . . 5.15 1 1 377 1 . . . . . . . 3.91 1 1 378 1 . . . . . . . 4.27 1 1 379 1 . . . . . . . 4.29 1 1 380 1 . . . . . . . 5.5 1 1 381 1 . . . . . . . 5.5 1 1 382 1 . . . . . . . 4.76 1 1 383 1 . . . . . . . 5.5 1 1 384 1 . . . . . . . 4.38 1 1 385 1 . . . . . . . 5.5 1 1 386 1 . . . . . . . 4.4 1 1 387 1 . . . . . . . 4.93 1 1 388 1 . . . . . . . 4.28 1 1 389 1 . . . . . . . 5.22 1 1 390 1 . . . . . . . 3.3 1 1 391 1 . . . . . . . 3.78 1 1 392 1 . . . . . . . 5.5 1 1 393 1 . . . . . . . 4.46 1 1 394 1 . . . . . . . 3.71 1 1 395 1 . . . . . . . 4.07 1 1 396 1 . . . . . . . 4.8 1 1 397 1 . . . . . . . 2.99 1 1 398 1 . . . . . . . 3.12 1 1 399 1 . . . . . . . 3.77 1 1 400 1 . . . . . . . 4.43 1 1 401 1 . . . . . . . 4.02 1 1 402 1 . . . . . . . 5.5 1 1 403 1 . . . . . . . 4.4 1 1 404 1 . . . . . . . 5.5 1 1 405 1 . . . . . . . 4.55 1 1 406 1 . . . . . . . 5.5 1 1 407 1 . . . . . . . 5.5 1 1 408 1 . . . . . . . 3.8 1 1 409 1 . . . . . . . 5.5 1 1 410 1 . . . . . . . 5.47 1 1 411 1 . . . . . . . 4.28 1 1 412 1 . . . . . . . 3.26 1 1 413 1 . . . . . . . 3.23 1 1 414 1 . . . . . . . 3.59 1 1 415 1 . . . . . . . 4.53 1 1 416 1 . . . . . . . 3.94 1 1 417 1 . . . . . . . 5.27 1 1 418 1 . . . . . . . 5.0 1 1 419 1 . . . . . . . 4.9 1 1 420 1 . . . . . . . 4.22 1 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PHI 1 1 4 LEU C 1 1 5 ALA N 1 1 5 ALA CA 1 1 5 ALA C -77.2 -50.4 . 5 ALA . . 5 ALA . . 5 ALA . . 5 ALA . 1 1 2 PSI 1 1 5 ALA N 1 1 5 ALA CA 1 1 5 ALA C 1 1 6 TYR N -63.599995 -16.199999 . 5 ALA . . 5 ALA . . 5 ALA . . 5 ALA . 1 1 3 PHI 1 1 5 ALA C 1 1 6 TYR N 1 1 6 TYR CA 1 1 6 TYR C -91.1 -43.0 . 6 TYR . . 6 TYR . . 6 TYR . . 6 TYR . 1 1 4 PSI 1 1 6 TYR N 1 1 6 TYR CA 1 1 6 TYR C 1 1 7 ASN N -68.1 -9.6 . 6 TYR . . 6 TYR . . 6 TYR . . 6 TYR . 1 1 5 PHI 1 1 6 TYR C 1 1 7 ASN N 1 1 7 ASN CA 1 1 7 ASN C -74.7 -54.7 . 7 ASN . . 7 ASN . . 7 ASN . . 7 ASN . 1 1 6 PSI 1 1 7 ASN N 1 1 7 ASN CA 1 1 7 ASN C 1 1 8 MET N -60.200005 -16.4 . 7 ASN . . 7 ASN . . 7 ASN . . 7 ASN . 1 1 7 PHI 1 1 7 ASN C 1 1 8 MET N 1 1 8 MET CA 1 1 8 MET C -75.0 -55.0 . 8 MET . . 8 MET . . 8 MET . . 8 MET . 1 1 8 PSI 1 1 8 MET N 1 1 8 MET CA 1 1 8 MET C 1 1 9 GLY N -60.6 -15.699999 . 8 MET . . 8 MET . . 8 MET . . 8 MET . 1 1 9 PHI 1 1 8 MET C 1 1 9 GLY N 1 1 9 GLY CA 1 1 9 GLY C -74.3 -46.899998 . 9 GLY . . 9 GLY . . 9 GLY . . 9 GLY . 1 1 10 PSI 1 1 9 GLY N 1 1 9 GLY CA 1 1 9 GLY C 1 1 10 HIS N -61.5 -29.3 . 9 GLY . . 9 GLY . . 9 GLY . . 9 GLY . 1 1 11 PHI 1 1 9 GLY C 1 1 10 HIS N 1 1 10 HIS CA 1 1 10 HIS C -71.69999 -51.7 . 10 HIS . . 10 HIS . . 10 HIS . . 10 HIS . 1 1 12 PSI 1 1 10 HIS N 1 1 10 HIS CA 1 1 10 HIS C 1 1 11 TYR N -50.9 -30.800001 . 10 HIS . . 10 HIS . . 10 HIS . . 10 HIS . 1 1 13 PHI 1 1 10 HIS C 1 1 11 TYR N 1 1 11 TYR CA 1 1 11 TYR C -72.9 -52.899998 . 11 TYR . . 11 TYR . . 11 TYR . . 11 TYR . 1 1 14 PSI 1 1 11 TYR N 1 1 11 TYR CA 1 1 11 TYR C 1 1 12 ALA N -49.5 -29.5 . 11 TYR . . 11 TYR . . 11 TYR . . 11 TYR . 1 1 15 PHI 1 1 11 TYR C 1 1 12 ALA N 1 1 12 ALA CA 1 1 12 ALA C -76.5 -56.5 . 12 ALA . . 12 ALA . . 12 ALA . . 12 ALA . 1 1 16 PSI 1 1 12 ALA N 1 1 12 ALA CA 1 1 12 ALA C 1 1 13 GLY N -50.5 -28.0 . 12 ALA . . 12 ALA . . 12 ALA . . 12 ALA . 1 1 17 PHI 1 1 12 ALA C 1 1 13 GLY N 1 1 13 GLY CA 1 1 13 GLY C -79.1 -49.899998 . 13 GLY . . 13 GLY . . 13 GLY . . 13 GLY . 1 1 18 PSI 1 1 13 GLY N 1 1 13 GLY CA 1 1 13 GLY C 1 1 14 LYS N -52.7 -27.3 . 13 GLY . . 13 GLY . . 13 GLY . . 13 GLY . 1 1 19 PHI 1 1 13 GLY C 1 1 14 LYS N 1 1 14 LYS CA 1 1 14 LYS C -74.7 -54.7 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 20 PSI 1 1 14 LYS N 1 1 14 LYS CA 1 1 14 LYS C 1 1 15 ALA N -52.3 -30.3 . 14 LYS . . 14 LYS . . 14 LYS . . 14 LYS . 1 1 21 PHI 1 1 14 LYS C 1 1 15 ALA N 1 1 15 ALA CA 1 1 15 ALA C -76.4 -49.6 . 15 ALA . . 15 ALA . . 15 ALA . . 15 ALA . 1 1 22 PSI 1 1 15 ALA N 1 1 15 ALA CA 1 1 15 ALA C 1 1 16 THR N -50.4 -27.8 . 15 ALA . . 15 ALA . . 15 ALA . . 15 ALA . 1 1 23 PHI 1 1 15 ALA C 1 1 16 THR N 1 1 16 THR CA 1 1 16 THR C -74.8 -54.299995 . 16 THR . . 16 THR . . 16 THR . . 16 THR . 1 1 24 PSI 1 1 16 THR N 1 1 16 THR CA 1 1 16 THR C 1 1 17 ILE N -52.3 -32.1 . 16 THR . . 16 THR . . 16 THR . . 16 THR . 1 1 25 PHI 1 1 16 THR C 1 1 17 ILE N 1 1 17 ILE CA 1 1 17 ILE C -76.5 -50.1 . 17 ILE . . 17 ILE . . 17 ILE . . 17 ILE . 1 1 26 PSI 1 1 17 ILE N 1 1 17 ILE CA 1 1 17 ILE C 1 1 18 PHE N -53.999996 -32.9 . 17 ILE . . 17 ILE . . 17 ILE . . 17 ILE . 1 1 27 PHI 1 1 17 ILE C 1 1 18 PHE N 1 1 18 PHE CA 1 1 18 PHE C -75.9 -53.8 . 18 PHE . . 18 PHE . . 18 PHE . . 18 PHE . 1 1 28 PSI 1 1 18 PHE N 1 1 18 PHE CA 1 1 18 PHE C 1 1 19 GLY N -61.9 -1.7999998 . 18 PHE . . 18 PHE . . 18 PHE . . 18 PHE . 1 1 29 PHI 1 1 18 PHE C 1 1 19 GLY N 1 1 19 GLY CA 1 1 19 GLY C -94.9 -39.9 . 19 GLY . . 19 GLY . . 19 GLY . . 19 GLY . 1 1 30 PSI 1 1 19 GLY N 1 1 19 GLY CA 1 1 19 GLY C 1 1 20 LEU N -56.8 -20.5 . 19 GLY . . 19 GLY . . 19 GLY . . 19 GLY . 1 1 31 PHI 1 1 19 GLY C 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C -75.2 -55.2 . 20 LEU . . 20 LEU . . 20 LEU . . 20 LEU . 1 1 32 PSI 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C 1 1 21 ALA N -52.099995 -31.099998 . 20 LEU . . 20 LEU . . 20 LEU . . 20 LEU . 1 1 33 PHI 1 1 20 LEU C 1 1 21 ALA N 1 1 21 ALA CA 1 1 21 ALA C -74.7 -51.5 . 21 ALA . . 21 ALA . . 21 ALA . . 21 ALA . 1 1 34 PSI 1 1 21 ALA N 1 1 21 ALA CA 1 1 21 ALA C 1 1 22 ALA N -55.9 -26.5 . 21 ALA . . 21 ALA . . 21 ALA . . 21 ALA . 1 1 35 PHI 1 1 21 ALA C 1 1 22 ALA N 1 1 22 ALA CA 1 1 22 ALA C -74.4 -54.1 . 22 ALA . . 22 ALA . . 22 ALA . . 22 ALA . 1 1 36 PSI 1 1 22 ALA N 1 1 22 ALA CA 1 1 22 ALA C 1 1 23 TRP N -52.899998 -32.9 . 22 ALA . . 22 ALA . . 22 ALA . . 22 ALA . 1 1 37 PHI 1 1 22 ALA C 1 1 23 TRP N 1 1 23 TRP CA 1 1 23 TRP C -89.399994 -44.699997 . 23 TRP . . 23 TRP . . 23 TRP . . 23 TRP . 1 1 38 PSI 1 1 23 TRP N 1 1 23 TRP CA 1 1 23 TRP C 1 1 24 ALA N -69.1 -18.6 . 23 TRP . . 23 TRP . . 23 TRP . . 23 TRP . 1 1 39 PHI 1 1 23 TRP C 1 1 24 ALA N 1 1 24 ALA CA 1 1 24 ALA C -74.9 -52.5 . 24 ALA . . 24 ALA . . 24 ALA . . 24 ALA . 1 1 40 PSI 1 1 24 ALA N 1 1 24 ALA CA 1 1 24 ALA C 1 1 25 LEU N -60.5 -15.699999 . 24 ALA . . 24 ALA . . 24 ALA . . 24 ALA . 1 1 41 PHI 1 1 24 ALA C 1 1 25 LEU N 1 1 25 LEU CA 1 1 25 LEU C -79.8 -57.500004 . 25 LEU . . 25 LEU . . 25 LEU . . 25 LEU . 1 1 42 PSI 1 1 25 LEU N 1 1 25 LEU CA 1 1 25 LEU C 1 1 26 LEU N -58.699997 -12.7 . 25 LEU . . 25 LEU . . 25 LEU . . 25 LEU . 1 1 43 PHI 1 1 25 LEU C 1 1 26 LEU N 1 1 26 LEU CA 1 1 26 LEU C -109.3 -36.5 . 26 LEU . . 26 LEU . . 26 LEU . . 26 LEU . 1 1 44 PSI 1 1 26 LEU N 1 1 26 LEU CA 1 1 26 LEU C 1 1 27 ALA N -57.699997 -13.4 . 26 LEU . . 26 LEU . . 26 LEU . . 26 LEU . 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 ARG C C -14.887 7.885 -2.299 1.00 . A A . 1 ARG C 1 1 1 2 1 1 1 ARG CA C -15.230 9.384 -2.453 1.00 . A A . 1 ARG CA 1 1 1 3 1 1 1 ARG CB C -16.168 9.605 -3.655 1.00 . A A . 1 ARG CB 1 1 1 4 1 1 1 ARG CD C -18.264 9.091 -4.859 1.00 . A A . 1 ARG CD 1 1 1 5 1 1 1 ARG CG C -17.569 9.060 -3.518 1.00 . A A . 1 ARG CG 1 1 1 6 1 1 1 ARG CZ C -20.196 7.761 -5.660 1.00 . A A . 1 ARG CZ 1 1 1 7 1 1 1 ARG H1 H -13.328 10.062 -1.892 1.00 . A A . 1 ARG H1 1 1 1 8 1 1 1 ARG H2 H -14.245 11.171 -2.714 1.00 . A A . 1 ARG H2 1 1 1 9 1 1 1 ARG H3 H -13.559 9.900 -3.567 1.00 . A A . 1 ARG H3 1 1 1 10 1 1 1 ARG HA H -15.710 9.717 -1.549 1.00 . A A . 1 ARG HA 1 1 1 11 1 1 1 ARG HB2 H -16.250 10.667 -3.827 1.00 . A A . 1 ARG HB2 1 1 1 12 1 1 1 ARG HB3 H -15.716 9.157 -4.527 1.00 . A A . 1 ARG HB3 1 1 1 13 1 1 1 ARG HD2 H -18.261 10.099 -5.246 1.00 . A A . 1 ARG HD2 1 1 1 14 1 1 1 ARG HD3 H -17.705 8.446 -5.517 1.00 . A A . 1 ARG HD3 1 1 1 15 1 1 1 ARG HE H -20.188 8.963 -4.051 1.00 . A A . 1 ARG HE 1 1 1 16 1 1 1 ARG HG2 H -17.523 8.046 -3.151 1.00 . A A . 1 ARG HG2 1 1 1 17 1 1 1 ARG HG3 H -18.125 9.673 -2.824 1.00 . A A . 1 ARG HG3 1 1 1 18 1 1 1 ARG HH11 H -18.517 7.478 -6.834 1.00 . A A . 1 ARG HH11 1 1 1 19 1 1 1 ARG HH12 H -19.896 6.586 -7.298 1.00 . A A . 1 ARG HH12 1 1 1 20 1 1 1 ARG HH21 H -22.037 7.805 -4.783 1.00 . A A . 1 ARG HH21 1 1 1 21 1 1 1 ARG HH22 H -21.931 6.771 -6.130 1.00 . A A . 1 ARG HH22 1 1 1 22 1 1 1 ARG N N -14.012 10.156 -2.666 1.00 . A A . 1 ARG N 1 1 1 23 1 1 1 ARG NE N -19.641 8.610 -4.791 1.00 . A A . 1 ARG NE 1 1 1 24 1 1 1 ARG NH1 N -19.485 7.253 -6.668 1.00 . A A . 1 ARG NH1 1 1 1 25 1 1 1 ARG NH2 N -21.468 7.427 -5.522 1.00 . A A . 1 ARG NH2 1 1 1 26 1 1 1 ARG O O -15.756 7.050 -2.033 1.00 . A A . 1 ARG O 1 1 1 27 1 1 2 ASN C C -12.541 5.842 -1.048 1.00 . A A . 2 ASN C 1 1 1 28 1 1 2 ASN CA C -13.187 6.174 -2.383 1.00 . A A . 2 ASN CA 1 1 1 29 1 1 2 ASN CB C -12.227 5.840 -3.547 1.00 . A A . 2 ASN CB 1 1 1 30 1 1 2 ASN CG C -10.901 6.592 -3.498 1.00 . A A . 2 ASN CG 1 1 1 31 1 1 2 ASN H H -12.950 8.256 -2.559 1.00 . A A . 2 ASN H 1 1 1 32 1 1 2 ASN HA H -14.076 5.571 -2.492 1.00 . A A . 2 ASN HA 1 1 1 33 1 1 2 ASN HB2 H -12.008 4.783 -3.522 1.00 . A A . 2 ASN HB2 1 1 1 34 1 1 2 ASN HB3 H -12.719 6.068 -4.479 1.00 . A A . 2 ASN HB3 1 1 1 35 1 1 2 ASN HD21 H -10.045 5.077 -2.566 1.00 . A A . 2 ASN HD21 1 1 1 36 1 1 2 ASN HD22 H -9.018 6.411 -2.895 1.00 . A A . 2 ASN HD22 1 1 1 37 1 1 2 ASN N N -13.625 7.559 -2.436 1.00 . A A . 2 ASN N 1 1 1 38 1 1 2 ASN ND2 N -9.897 5.975 -2.933 1.00 . A A . 2 ASN ND2 1 1 1 39 1 1 2 ASN O O -11.738 6.607 -0.528 1.00 . A A . 2 ASN O 1 1 1 40 1 1 2 ASN OD1 O -10.786 7.708 -3.991 1.00 . A A . 2 ASN OD1 1 1 1 41 1 1 3 LYS C C -13.067 2.830 0.916 1.00 . A A . 3 LYS C 1 1 1 42 1 1 3 LYS CA C -12.417 4.189 0.735 1.00 . A A . 3 LYS CA 1 1 1 43 1 1 3 LYS CB C -12.846 5.077 1.884 1.00 . A A . 3 LYS CB 1 1 1 44 1 1 3 LYS CD C -12.873 5.323 4.352 1.00 . A A . 3 LYS CD 1 1 1 45 1 1 3 LYS CE C -14.192 4.599 4.566 1.00 . A A . 3 LYS CE 1 1 1 46 1 1 3 LYS CG C -12.155 4.740 3.173 1.00 . A A . 3 LYS CG 1 1 1 47 1 1 3 LYS H H -13.565 4.135 -0.962 1.00 . A A . 3 LYS H 1 1 1 48 1 1 3 LYS HA H -11.342 4.092 0.712 1.00 . A A . 3 LYS HA 1 1 1 49 1 1 3 LYS HB2 H -12.617 6.101 1.628 1.00 . A A . 3 LYS HB2 1 1 1 50 1 1 3 LYS HB3 H -13.911 4.979 2.017 1.00 . A A . 3 LYS HB3 1 1 1 51 1 1 3 LYS HD2 H -12.254 5.227 5.231 1.00 . A A . 3 LYS HD2 1 1 1 52 1 1 3 LYS HD3 H -13.073 6.364 4.148 1.00 . A A . 3 LYS HD3 1 1 1 53 1 1 3 LYS HE2 H -14.783 4.642 3.663 1.00 . A A . 3 LYS HE2 1 1 1 54 1 1 3 LYS HE3 H -13.970 3.562 4.768 1.00 . A A . 3 LYS HE3 1 1 1 55 1 1 3 LYS HG2 H -12.133 3.665 3.269 1.00 . A A . 3 LYS HG2 1 1 1 56 1 1 3 LYS HG3 H -11.153 5.129 3.112 1.00 . A A . 3 LYS HG3 1 1 1 57 1 1 3 LYS HZ1 H -14.436 5.079 6.570 1.00 . A A . 3 LYS HZ1 1 1 1 58 1 1 3 LYS HZ2 H -15.881 4.678 5.785 1.00 . A A . 3 LYS HZ2 1 1 1 59 1 1 3 LYS HZ3 H -15.154 6.165 5.516 1.00 . A A . 3 LYS HZ3 1 1 1 60 1 1 3 LYS N N -12.909 4.706 -0.508 1.00 . A A . 3 LYS N 1 1 1 61 1 1 3 LYS NZ N -14.964 5.156 5.676 1.00 . A A . 3 LYS NZ 1 1 1 62 1 1 3 LYS O O -14.247 2.684 0.587 1.00 . A A . 3 LYS O 1 1 1 63 1 1 4 LEU C C -11.698 -0.318 2.183 1.00 . A A . 4 LEU C 1 1 1 64 1 1 4 LEU CA C -12.830 0.505 1.618 1.00 . A A . 4 LEU CA 1 1 1 65 1 1 4 LEU CB C -13.242 -0.078 0.250 1.00 . A A . 4 LEU CB 1 1 1 66 1 1 4 LEU CD1 C -15.431 -1.155 0.818 1.00 . A A . 4 LEU CD1 1 1 1 67 1 1 4 LEU CD2 C -14.120 -1.980 -1.139 1.00 . A A . 4 LEU CD2 1 1 1 68 1 1 4 LEU CG C -14.039 -1.385 0.257 1.00 . A A . 4 LEU CG 1 1 1 69 1 1 4 LEU H H -11.428 2.048 1.777 1.00 . A A . 4 LEU H 1 1 1 70 1 1 4 LEU HA H -13.668 0.482 2.299 1.00 . A A . 4 LEU HA 1 1 1 71 1 1 4 LEU HB2 H -13.854 0.681 -0.212 1.00 . A A . 4 LEU HB2 1 1 1 72 1 1 4 LEU HB3 H -12.348 -0.213 -0.339 1.00 . A A . 4 LEU HB3 1 1 1 73 1 1 4 LEU HD11 H -15.973 -2.088 0.844 1.00 . A A . 4 LEU HD11 1 1 1 74 1 1 4 LEU HD12 H -15.957 -0.456 0.185 1.00 . A A . 4 LEU HD12 1 1 1 75 1 1 4 LEU HD13 H -15.364 -0.747 1.814 1.00 . A A . 4 LEU HD13 1 1 1 76 1 1 4 LEU HD21 H -13.124 -2.175 -1.510 1.00 . A A . 4 LEU HD21 1 1 1 77 1 1 4 LEU HD22 H -14.616 -1.288 -1.803 1.00 . A A . 4 LEU HD22 1 1 1 78 1 1 4 LEU HD23 H -14.676 -2.905 -1.105 1.00 . A A . 4 LEU HD23 1 1 1 79 1 1 4 LEU HG H -13.534 -2.092 0.901 1.00 . A A . 4 LEU HG 1 1 1 80 1 1 4 LEU N N -12.336 1.865 1.448 1.00 . A A . 4 LEU N 1 1 1 81 1 1 4 LEU O O -10.536 0.093 2.093 1.00 . A A . 4 LEU O 1 1 1 82 1 1 5 ALA C C -10.000 -2.804 2.207 1.00 . A A . 5 ALA C 1 1 1 83 1 1 5 ALA CA C -11.021 -2.387 3.275 1.00 . A A . 5 ALA CA 1 1 1 84 1 1 5 ALA CB C -11.713 -3.603 3.868 1.00 . A A . 5 ALA CB 1 1 1 85 1 1 5 ALA H H -12.967 -1.719 2.795 1.00 . A A . 5 ALA H 1 1 1 86 1 1 5 ALA HA H -10.510 -1.859 4.062 1.00 . A A . 5 ALA HA 1 1 1 87 1 1 5 ALA HB1 H -12.419 -3.268 4.613 1.00 . A A . 5 ALA HB1 1 1 1 88 1 1 5 ALA HB2 H -10.989 -4.263 4.320 1.00 . A A . 5 ALA HB2 1 1 1 89 1 1 5 ALA HB3 H -12.244 -4.120 3.082 1.00 . A A . 5 ALA HB3 1 1 1 90 1 1 5 ALA N N -12.016 -1.477 2.722 1.00 . A A . 5 ALA N 1 1 1 91 1 1 5 ALA O O -8.829 -3.034 2.485 1.00 . A A . 5 ALA O 1 1 1 92 1 1 6 TYR C C -8.854 -1.982 -0.646 1.00 . A A . 6 TYR C 1 1 1 93 1 1 6 TYR CA C -9.607 -3.198 -0.144 1.00 . A A . 6 TYR CA 1 1 1 94 1 1 6 TYR CB C -10.411 -3.828 -1.266 1.00 . A A . 6 TYR CB 1 1 1 95 1 1 6 TYR CD1 C -10.248 -6.314 -1.063 1.00 . A A . 6 TYR CD1 1 1 1 96 1 1 6 TYR CD2 C -12.277 -5.274 -0.390 1.00 . A A . 6 TYR CD2 1 1 1 97 1 1 6 TYR CE1 C -10.755 -7.539 -0.731 1.00 . A A . 6 TYR CE1 1 1 1 98 1 1 6 TYR CE2 C -12.798 -6.504 -0.052 1.00 . A A . 6 TYR CE2 1 1 1 99 1 1 6 TYR CG C -10.992 -5.161 -0.903 1.00 . A A . 6 TYR CG 1 1 1 100 1 1 6 TYR CZ C -12.030 -7.632 -0.224 1.00 . A A . 6 TYR CZ 1 1 1 101 1 1 6 TYR H H -11.405 -2.646 0.848 1.00 . A A . 6 TYR H 1 1 1 102 1 1 6 TYR HA H -8.889 -3.919 0.216 1.00 . A A . 6 TYR HA 1 1 1 103 1 1 6 TYR HB2 H -11.224 -3.168 -1.527 1.00 . A A . 6 TYR HB2 1 1 1 104 1 1 6 TYR HB3 H -9.769 -3.963 -2.124 1.00 . A A . 6 TYR HB3 1 1 1 105 1 1 6 TYR HD1 H -9.246 -6.240 -1.458 1.00 . A A . 6 TYR HD1 1 1 1 106 1 1 6 TYR HD2 H -12.873 -4.383 -0.258 1.00 . A A . 6 TYR HD2 1 1 1 107 1 1 6 TYR HE1 H -10.149 -8.420 -0.868 1.00 . A A . 6 TYR HE1 1 1 1 108 1 1 6 TYR HE2 H -13.798 -6.585 0.348 1.00 . A A . 6 TYR HE2 1 1 1 109 1 1 6 TYR HH H -11.833 -9.338 0.568 1.00 . A A . 6 TYR HH 1 1 1 110 1 1 6 TYR N N -10.459 -2.854 0.980 1.00 . A A . 6 TYR N 1 1 1 111 1 1 6 TYR O O -7.821 -2.100 -1.283 1.00 . A A . 6 TYR O 1 1 1 112 1 1 6 TYR OH O -12.535 -8.854 0.114 1.00 . A A . 6 TYR OH 1 1 1 113 1 1 7 ASN C C -7.587 0.696 0.193 1.00 . A A . 7 ASN C 1 1 1 114 1 1 7 ASN CA C -8.734 0.397 -0.750 1.00 . A A . 7 ASN CA 1 1 1 115 1 1 7 ASN CB C -9.720 1.573 -0.815 1.00 . A A . 7 ASN CB 1 1 1 116 1 1 7 ASN CG C -9.027 2.915 -1.017 1.00 . A A . 7 ASN CG 1 1 1 117 1 1 7 ASN H H -10.218 -0.800 0.138 1.00 . A A . 7 ASN H 1 1 1 118 1 1 7 ASN HA H -8.319 0.243 -1.735 1.00 . A A . 7 ASN HA 1 1 1 119 1 1 7 ASN HB2 H -10.410 1.414 -1.628 1.00 . A A . 7 ASN HB2 1 1 1 120 1 1 7 ASN HB3 H -10.276 1.616 0.110 1.00 . A A . 7 ASN HB3 1 1 1 121 1 1 7 ASN HD21 H -9.048 2.680 -2.975 1.00 . A A . 7 ASN HD21 1 1 1 122 1 1 7 ASN HD22 H -8.293 4.125 -2.384 1.00 . A A . 7 ASN HD22 1 1 1 123 1 1 7 ASN N N -9.387 -0.830 -0.376 1.00 . A A . 7 ASN N 1 1 1 124 1 1 7 ASN ND2 N -8.774 3.279 -2.244 1.00 . A A . 7 ASN ND2 1 1 1 125 1 1 7 ASN O O -6.455 0.773 -0.207 1.00 . A A . 7 ASN O 1 1 1 126 1 1 7 ASN OD1 O -8.719 3.607 -0.056 1.00 . A A . 7 ASN OD1 1 1 1 127 1 1 8 MET C C -6.058 -0.009 2.872 1.00 . A A . 8 MET C 1 1 1 128 1 1 8 MET CA C -6.903 1.185 2.436 1.00 . A A . 8 MET CA 1 1 1 129 1 1 8 MET CB C -7.501 1.921 3.634 1.00 . A A . 8 MET CB 1 1 1 130 1 1 8 MET CE C -5.795 4.243 1.872 1.00 . A A . 8 MET CE 1 1 1 131 1 1 8 MET CG C -8.073 3.320 3.339 1.00 . A A . 8 MET CG 1 1 1 132 1 1 8 MET H H -8.842 0.739 1.705 1.00 . A A . 8 MET H 1 1 1 133 1 1 8 MET HA H -6.234 1.861 1.929 1.00 . A A . 8 MET HA 1 1 1 134 1 1 8 MET HB2 H -8.292 1.314 4.047 1.00 . A A . 8 MET HB2 1 1 1 135 1 1 8 MET HB3 H -6.724 2.030 4.377 1.00 . A A . 8 MET HB3 1 1 1 136 1 1 8 MET HE1 H -5.181 3.394 2.125 1.00 . A A . 8 MET HE1 1 1 1 137 1 1 8 MET HE2 H -5.150 5.074 1.625 1.00 . A A . 8 MET HE2 1 1 1 138 1 1 8 MET HE3 H -6.416 3.999 1.024 1.00 . A A . 8 MET HE3 1 1 1 139 1 1 8 MET HG2 H -8.576 3.289 2.385 1.00 . A A . 8 MET HG2 1 1 1 140 1 1 8 MET HG3 H -8.794 3.555 4.109 1.00 . A A . 8 MET HG3 1 1 1 141 1 1 8 MET N N -7.903 0.859 1.445 1.00 . A A . 8 MET N 1 1 1 142 1 1 8 MET O O -4.849 -0.025 2.666 1.00 . A A . 8 MET O 1 1 1 143 1 1 8 MET SD S -6.843 4.674 3.266 1.00 . A A . 8 MET SD 1 1 1 144 1 1 9 GLY C C -5.251 -2.974 2.980 1.00 . A A . 9 GLY C 1 1 1 145 1 1 9 GLY CA C -6.001 -2.164 4.000 1.00 . A A . 9 GLY CA 1 1 1 146 1 1 9 GLY H H -7.684 -0.989 3.537 1.00 . A A . 9 GLY H 1 1 1 147 1 1 9 GLY HA2 H -5.290 -1.822 4.735 1.00 . A A . 9 GLY HA2 1 1 1 148 1 1 9 GLY HA3 H -6.715 -2.811 4.490 1.00 . A A . 9 GLY HA3 1 1 1 149 1 1 9 GLY N N -6.707 -1.012 3.447 1.00 . A A . 9 GLY N 1 1 1 150 1 1 9 GLY O O -4.096 -3.353 3.209 1.00 . A A . 9 GLY O 1 1 1 151 1 1 10 HIS C C -4.064 -3.280 0.207 1.00 . A A . 10 HIS C 1 1 1 152 1 1 10 HIS CA C -5.243 -4.043 0.831 1.00 . A A . 10 HIS CA 1 1 1 153 1 1 10 HIS CB C -6.266 -4.507 -0.212 1.00 . A A . 10 HIS CB 1 1 1 154 1 1 10 HIS CD2 C -5.850 -5.745 -2.422 1.00 . A A . 10 HIS CD2 1 1 1 155 1 1 10 HIS CE1 C -4.846 -7.492 -1.635 1.00 . A A . 10 HIS CE1 1 1 1 156 1 1 10 HIS CG C -5.785 -5.602 -1.088 1.00 . A A . 10 HIS CG 1 1 1 157 1 1 10 HIS H H -6.793 -2.893 1.734 1.00 . A A . 10 HIS H 1 1 1 158 1 1 10 HIS HA H -4.818 -4.912 1.317 1.00 . A A . 10 HIS HA 1 1 1 159 1 1 10 HIS HB2 H -7.135 -4.889 0.301 1.00 . A A . 10 HIS HB2 1 1 1 160 1 1 10 HIS HB3 H -6.549 -3.674 -0.840 1.00 . A A . 10 HIS HB3 1 1 1 161 1 1 10 HIS HD1 H -4.965 -6.923 0.331 1.00 . A A . 10 HIS HD1 1 1 1 162 1 1 10 HIS HD2 H -6.305 -5.044 -3.107 1.00 . A A . 10 HIS HD2 1 1 1 163 1 1 10 HIS HE1 H -4.310 -8.422 -1.536 1.00 . A A . 10 HIS HE1 1 1 1 164 1 1 10 HIS N N -5.879 -3.237 1.855 1.00 . A A . 10 HIS N 1 1 1 165 1 1 10 HIS ND1 N -5.149 -6.717 -0.613 1.00 . A A . 10 HIS ND1 1 1 1 166 1 1 10 HIS NE2 N -5.252 -6.954 -2.774 1.00 . A A . 10 HIS NE2 1 1 1 167 1 1 10 HIS O O -2.991 -3.854 -0.012 1.00 . A A . 10 HIS O 1 1 1 168 1 1 11 TYR C C -2.035 -0.995 0.473 1.00 . A A . 11 TYR C 1 1 1 169 1 1 11 TYR CA C -3.142 -1.144 -0.523 1.00 . A A . 11 TYR CA 1 1 1 170 1 1 11 TYR CB C -3.600 0.218 -0.978 1.00 . A A . 11 TYR CB 1 1 1 171 1 1 11 TYR CD1 C -5.248 -0.133 -2.853 1.00 . A A . 11 TYR CD1 1 1 1 172 1 1 11 TYR CD2 C -3.092 0.729 -3.349 1.00 . A A . 11 TYR CD2 1 1 1 173 1 1 11 TYR CE1 C -5.586 -0.072 -4.182 1.00 . A A . 11 TYR CE1 1 1 1 174 1 1 11 TYR CE2 C -3.413 0.795 -4.672 1.00 . A A . 11 TYR CE2 1 1 1 175 1 1 11 TYR CG C -3.993 0.269 -2.419 1.00 . A A . 11 TYR CG 1 1 1 176 1 1 11 TYR CZ C -4.666 0.391 -5.095 1.00 . A A . 11 TYR CZ 1 1 1 177 1 1 11 TYR H H -5.109 -1.560 0.158 1.00 . A A . 11 TYR H 1 1 1 178 1 1 11 TYR HA H -2.736 -1.669 -1.374 1.00 . A A . 11 TYR HA 1 1 1 179 1 1 11 TYR HB2 H -4.453 0.513 -0.387 1.00 . A A . 11 TYR HB2 1 1 1 180 1 1 11 TYR HB3 H -2.802 0.930 -0.825 1.00 . A A . 11 TYR HB3 1 1 1 181 1 1 11 TYR HD1 H -5.965 -0.490 -2.127 1.00 . A A . 11 TYR HD1 1 1 1 182 1 1 11 TYR HD2 H -2.114 1.042 -3.015 1.00 . A A . 11 TYR HD2 1 1 1 183 1 1 11 TYR HE1 H -6.567 -0.391 -4.502 1.00 . A A . 11 TYR HE1 1 1 1 184 1 1 11 TYR HE2 H -2.669 1.163 -5.362 1.00 . A A . 11 TYR HE2 1 1 1 185 1 1 11 TYR HH H -4.197 0.267 -6.929 1.00 . A A . 11 TYR HH 1 1 1 186 1 1 11 TYR N N -4.237 -1.977 -0.017 1.00 . A A . 11 TYR N 1 1 1 187 1 1 11 TYR O O -0.880 -0.911 0.082 1.00 . A A . 11 TYR O 1 1 1 188 1 1 11 TYR OH O -4.996 0.466 -6.427 1.00 . A A . 11 TYR OH 1 1 1 189 1 1 12 ALA C C -0.414 -2.060 2.700 1.00 . A A . 12 ALA C 1 1 1 190 1 1 12 ALA CA C -1.377 -0.890 2.808 1.00 . A A . 12 ALA CA 1 1 1 191 1 1 12 ALA CB C -2.042 -0.871 4.175 1.00 . A A . 12 ALA CB 1 1 1 192 1 1 12 ALA H H -3.329 -0.982 1.992 1.00 . A A . 12 ALA H 1 1 1 193 1 1 12 ALA HA H -0.832 0.033 2.670 1.00 . A A . 12 ALA HA 1 1 1 194 1 1 12 ALA HB1 H -2.596 -1.788 4.316 1.00 . A A . 12 ALA HB1 1 1 1 195 1 1 12 ALA HB2 H -2.722 -0.033 4.233 1.00 . A A . 12 ALA HB2 1 1 1 196 1 1 12 ALA HB3 H -1.283 -0.785 4.939 1.00 . A A . 12 ALA HB3 1 1 1 197 1 1 12 ALA N N -2.374 -0.972 1.753 1.00 . A A . 12 ALA N 1 1 1 198 1 1 12 ALA O O 0.784 -1.903 2.909 1.00 . A A . 12 ALA O 1 1 1 199 1 1 13 GLY C C 0.829 -4.181 0.960 1.00 . A A . 13 GLY C 1 1 1 200 1 1 13 GLY CA C -0.123 -4.386 2.124 1.00 . A A . 13 GLY CA 1 1 1 201 1 1 13 GLY H H -1.916 -3.267 2.205 1.00 . A A . 13 GLY H 1 1 1 202 1 1 13 GLY HA2 H 0.451 -4.578 3.019 1.00 . A A . 13 GLY HA2 1 1 1 203 1 1 13 GLY HA3 H -0.756 -5.234 1.914 1.00 . A A . 13 GLY HA3 1 1 1 204 1 1 13 GLY N N -0.944 -3.217 2.336 1.00 . A A . 13 GLY N 1 1 1 205 1 1 13 GLY O O 2.031 -4.394 1.094 1.00 . A A . 13 GLY O 1 1 1 206 1 1 14 LYS C C 2.129 -2.396 -1.150 1.00 . A A . 14 LYS C 1 1 1 207 1 1 14 LYS CA C 1.079 -3.454 -1.375 1.00 . A A . 14 LYS CA 1 1 1 208 1 1 14 LYS CB C 0.212 -3.043 -2.583 1.00 . A A . 14 LYS CB 1 1 1 209 1 1 14 LYS CD C -1.523 -4.903 -2.527 1.00 . A A . 14 LYS CD 1 1 1 210 1 1 14 LYS CE C -2.324 -5.839 -3.400 1.00 . A A . 14 LYS CE 1 1 1 211 1 1 14 LYS CG C -0.496 -4.164 -3.345 1.00 . A A . 14 LYS CG 1 1 1 212 1 1 14 LYS H H -0.664 -3.470 -0.135 1.00 . A A . 14 LYS H 1 1 1 213 1 1 14 LYS HA H 1.585 -4.376 -1.613 1.00 . A A . 14 LYS HA 1 1 1 214 1 1 14 LYS HB2 H -0.548 -2.360 -2.232 1.00 . A A . 14 LYS HB2 1 1 1 215 1 1 14 LYS HB3 H 0.845 -2.516 -3.279 1.00 . A A . 14 LYS HB3 1 1 1 216 1 1 14 LYS HD2 H -1.027 -5.479 -1.762 1.00 . A A . 14 LYS HD2 1 1 1 217 1 1 14 LYS HD3 H -2.194 -4.194 -2.069 1.00 . A A . 14 LYS HD3 1 1 1 218 1 1 14 LYS HE2 H -3.079 -6.314 -2.791 1.00 . A A . 14 LYS HE2 1 1 1 219 1 1 14 LYS HE3 H -2.813 -5.256 -4.166 1.00 . A A . 14 LYS HE3 1 1 1 220 1 1 14 LYS HG2 H -0.997 -3.734 -4.198 1.00 . A A . 14 LYS HG2 1 1 1 221 1 1 14 LYS HG3 H 0.249 -4.865 -3.690 1.00 . A A . 14 LYS HG3 1 1 1 222 1 1 14 LYS HZ1 H -0.672 -6.516 -4.537 1.00 . A A . 14 LYS HZ1 1 1 1 223 1 1 14 LYS HZ2 H -2.075 -7.363 -4.756 1.00 . A A . 14 LYS HZ2 1 1 1 224 1 1 14 LYS HZ3 H -1.207 -7.609 -3.352 1.00 . A A . 14 LYS HZ3 1 1 1 225 1 1 14 LYS N N 0.290 -3.695 -0.157 1.00 . A A . 14 LYS N 1 1 1 226 1 1 14 LYS NZ N -1.501 -6.883 -4.032 1.00 . A A . 14 LYS NZ 1 1 1 227 1 1 14 LYS O O 3.287 -2.578 -1.494 1.00 . A A . 14 LYS O 1 1 1 228 1 1 15 ALA C C 3.699 -0.547 0.671 1.00 . A A . 15 ALA C 1 1 1 229 1 1 15 ALA CA C 2.597 -0.197 -0.308 1.00 . A A . 15 ALA CA 1 1 1 230 1 1 15 ALA CB C 1.821 1.015 0.156 1.00 . A A . 15 ALA CB 1 1 1 231 1 1 15 ALA H H 0.784 -1.260 -0.252 1.00 . A A . 15 ALA H 1 1 1 232 1 1 15 ALA HA H 3.050 0.040 -1.259 1.00 . A A . 15 ALA HA 1 1 1 233 1 1 15 ALA HB1 H 1.056 1.257 -0.567 1.00 . A A . 15 ALA HB1 1 1 1 234 1 1 15 ALA HB2 H 2.513 1.839 0.247 1.00 . A A . 15 ALA HB2 1 1 1 235 1 1 15 ALA HB3 H 1.373 0.812 1.117 1.00 . A A . 15 ALA HB3 1 1 1 236 1 1 15 ALA N N 1.724 -1.313 -0.543 1.00 . A A . 15 ALA N 1 1 1 237 1 1 15 ALA O O 4.794 -0.049 0.561 1.00 . A A . 15 ALA O 1 1 1 238 1 1 16 THR C C 5.429 -2.788 1.908 1.00 . A A . 16 THR C 1 1 1 239 1 1 16 THR CA C 4.438 -1.803 2.554 1.00 . A A . 16 THR CA 1 1 1 240 1 1 16 THR CB C 3.856 -2.370 3.868 1.00 . A A . 16 THR CB 1 1 1 241 1 1 16 THR CG2 C 4.956 -2.536 4.915 1.00 . A A . 16 THR CG2 1 1 1 242 1 1 16 THR H H 2.506 -1.776 1.657 1.00 . A A . 16 THR H 1 1 1 243 1 1 16 THR HA H 4.985 -0.900 2.783 1.00 . A A . 16 THR HA 1 1 1 244 1 1 16 THR HB H 3.400 -3.329 3.669 1.00 . A A . 16 THR HB 1 1 1 245 1 1 16 THR HG1 H 2.073 -1.549 3.887 1.00 . A A . 16 THR HG1 1 1 1 246 1 1 16 THR HG21 H 4.535 -2.923 5.831 1.00 . A A . 16 THR HG21 1 1 1 247 1 1 16 THR HG22 H 5.410 -1.573 5.104 1.00 . A A . 16 THR HG22 1 1 1 248 1 1 16 THR HG23 H 5.710 -3.215 4.546 1.00 . A A . 16 THR HG23 1 1 1 249 1 1 16 THR N N 3.415 -1.410 1.616 1.00 . A A . 16 THR N 1 1 1 250 1 1 16 THR O O 6.619 -2.770 2.204 1.00 . A A . 16 THR O 1 1 1 251 1 1 16 THR OG1 O 2.893 -1.440 4.388 1.00 . A A . 16 THR OG1 1 1 1 252 1 1 17 ILE C C 6.624 -3.867 -0.765 1.00 . A A . 17 ILE C 1 1 1 253 1 1 17 ILE CA C 5.867 -4.565 0.393 1.00 . A A . 17 ILE CA 1 1 1 254 1 1 17 ILE CB C 5.216 -5.937 -0.041 1.00 . A A . 17 ILE CB 1 1 1 255 1 1 17 ILE CD1 C 7.349 -7.302 0.330 1.00 . A A . 17 ILE CD1 1 1 1 256 1 1 17 ILE CG1 C 6.256 -6.899 -0.641 1.00 . A A . 17 ILE CG1 1 1 1 257 1 1 17 ILE CG2 C 4.041 -5.761 -0.992 1.00 . A A . 17 ILE CG2 1 1 1 258 1 1 17 ILE H H 3.986 -3.696 0.851 1.00 . A A . 17 ILE H 1 1 1 259 1 1 17 ILE HA H 6.614 -4.766 1.146 1.00 . A A . 17 ILE HA 1 1 1 260 1 1 17 ILE HB H 4.825 -6.383 0.863 1.00 . A A . 17 ILE HB 1 1 1 261 1 1 17 ILE HD11 H 7.901 -6.425 0.635 1.00 . A A . 17 ILE HD11 1 1 1 262 1 1 17 ILE HD12 H 8.020 -8.004 -0.142 1.00 . A A . 17 ILE HD12 1 1 1 263 1 1 17 ILE HD13 H 6.897 -7.758 1.198 1.00 . A A . 17 ILE HD13 1 1 1 264 1 1 17 ILE HG12 H 5.769 -7.806 -0.968 1.00 . A A . 17 ILE HG12 1 1 1 265 1 1 17 ILE HG13 H 6.724 -6.423 -1.488 1.00 . A A . 17 ILE HG13 1 1 1 266 1 1 17 ILE HG21 H 3.636 -6.725 -1.263 1.00 . A A . 17 ILE HG21 1 1 1 267 1 1 17 ILE HG22 H 4.376 -5.249 -1.882 1.00 . A A . 17 ILE HG22 1 1 1 268 1 1 17 ILE HG23 H 3.279 -5.174 -0.501 1.00 . A A . 17 ILE HG23 1 1 1 269 1 1 17 ILE N N 4.948 -3.667 1.044 1.00 . A A . 17 ILE N 1 1 1 270 1 1 17 ILE O O 7.838 -3.856 -0.789 1.00 . A A . 17 ILE O 1 1 1 271 1 1 18 PHE C C 7.026 -1.251 -2.549 1.00 . A A . 18 PHE C 1 1 1 272 1 1 18 PHE CA C 6.490 -2.639 -2.856 1.00 . A A . 18 PHE CA 1 1 1 273 1 1 18 PHE CB C 5.509 -2.579 -4.020 1.00 . A A . 18 PHE CB 1 1 1 274 1 1 18 PHE CD1 C 5.744 -5.022 -4.497 1.00 . A A . 18 PHE CD1 1 1 1 275 1 1 18 PHE CD2 C 3.583 -4.040 -4.641 1.00 . A A . 18 PHE CD2 1 1 1 276 1 1 18 PHE CE1 C 5.217 -6.243 -4.845 1.00 . A A . 18 PHE CE1 1 1 1 277 1 1 18 PHE CE2 C 3.048 -5.256 -4.988 1.00 . A A . 18 PHE CE2 1 1 1 278 1 1 18 PHE CG C 4.934 -3.908 -4.388 1.00 . A A . 18 PHE CG 1 1 1 279 1 1 18 PHE CZ C 3.868 -6.360 -5.093 1.00 . A A . 18 PHE CZ 1 1 1 280 1 1 18 PHE H H 4.918 -3.272 -1.605 1.00 . A A . 18 PHE H 1 1 1 281 1 1 18 PHE HA H 7.330 -3.246 -3.159 1.00 . A A . 18 PHE HA 1 1 1 282 1 1 18 PHE HB2 H 4.691 -1.924 -3.760 1.00 . A A . 18 PHE HB2 1 1 1 283 1 1 18 PHE HB3 H 6.031 -2.187 -4.881 1.00 . A A . 18 PHE HB3 1 1 1 284 1 1 18 PHE HD1 H 6.802 -4.922 -4.292 1.00 . A A . 18 PHE HD1 1 1 1 285 1 1 18 PHE HD2 H 2.941 -3.177 -4.559 1.00 . A A . 18 PHE HD2 1 1 1 286 1 1 18 PHE HE1 H 5.866 -7.100 -4.924 1.00 . A A . 18 PHE HE1 1 1 1 287 1 1 18 PHE HE2 H 1.990 -5.345 -5.180 1.00 . A A . 18 PHE HE2 1 1 1 288 1 1 18 PHE HZ H 3.452 -7.319 -5.361 1.00 . A A . 18 PHE HZ 1 1 1 289 1 1 18 PHE N N 5.898 -3.289 -1.696 1.00 . A A . 18 PHE N 1 1 1 290 1 1 18 PHE O O 8.216 -0.988 -2.701 1.00 . A A . 18 PHE O 1 1 1 291 1 1 19 GLY C C 7.560 1.190 -0.872 1.00 . A A . 19 GLY C 1 1 1 292 1 1 19 GLY CA C 6.457 1.027 -1.871 1.00 . A A . 19 GLY CA 1 1 1 293 1 1 19 GLY H H 5.213 -0.690 -1.951 1.00 . A A . 19 GLY H 1 1 1 294 1 1 19 GLY HA2 H 6.736 1.506 -2.796 1.00 . A A . 19 GLY HA2 1 1 1 295 1 1 19 GLY HA3 H 5.581 1.511 -1.461 1.00 . A A . 19 GLY HA3 1 1 1 296 1 1 19 GLY N N 6.126 -0.373 -2.118 1.00 . A A . 19 GLY N 1 1 1 297 1 1 19 GLY O O 8.553 1.884 -1.126 1.00 . A A . 19 GLY O 1 1 1 298 1 1 20 LEU C C 9.710 0.040 0.889 1.00 . A A . 20 LEU C 1 1 1 299 1 1 20 LEU CA C 8.366 0.621 1.314 1.00 . A A . 20 LEU CA 1 1 1 300 1 1 20 LEU CB C 7.891 -0.076 2.561 1.00 . A A . 20 LEU CB 1 1 1 301 1 1 20 LEU CD1 C 7.504 1.770 4.142 1.00 . A A . 20 LEU CD1 1 1 1 302 1 1 20 LEU CD2 C 8.338 -0.418 4.992 1.00 . A A . 20 LEU CD2 1 1 1 303 1 1 20 LEU CG C 8.356 0.560 3.847 1.00 . A A . 20 LEU CG 1 1 1 304 1 1 20 LEU H H 6.552 0.054 0.396 1.00 . A A . 20 LEU H 1 1 1 305 1 1 20 LEU HA H 8.513 1.668 1.541 1.00 . A A . 20 LEU HA 1 1 1 306 1 1 20 LEU HB2 H 6.812 -0.067 2.549 1.00 . A A . 20 LEU HB2 1 1 1 307 1 1 20 LEU HB3 H 8.231 -1.101 2.544 1.00 . A A . 20 LEU HB3 1 1 1 308 1 1 20 LEU HD11 H 7.870 2.291 5.014 1.00 . A A . 20 LEU HD11 1 1 1 309 1 1 20 LEU HD12 H 6.502 1.410 4.328 1.00 . A A . 20 LEU HD12 1 1 1 310 1 1 20 LEU HD13 H 7.488 2.421 3.280 1.00 . A A . 20 LEU HD13 1 1 1 311 1 1 20 LEU HD21 H 7.333 -0.776 5.151 1.00 . A A . 20 LEU HD21 1 1 1 312 1 1 20 LEU HD22 H 8.700 0.086 5.876 1.00 . A A . 20 LEU HD22 1 1 1 313 1 1 20 LEU HD23 H 8.993 -1.244 4.756 1.00 . A A . 20 LEU HD23 1 1 1 314 1 1 20 LEU HG H 9.368 0.904 3.698 1.00 . A A . 20 LEU HG 1 1 1 315 1 1 20 LEU N N 7.398 0.546 0.256 1.00 . A A . 20 LEU N 1 1 1 316 1 1 20 LEU O O 10.726 0.491 1.354 1.00 . A A . 20 LEU O 1 1 1 317 1 1 21 ALA C C 11.805 -0.504 -1.196 1.00 . A A . 21 ALA C 1 1 1 318 1 1 21 ALA CA C 10.955 -1.553 -0.498 1.00 . A A . 21 ALA CA 1 1 1 319 1 1 21 ALA CB C 10.667 -2.702 -1.449 1.00 . A A . 21 ALA CB 1 1 1 320 1 1 21 ALA H H 8.868 -1.304 -0.371 1.00 . A A . 21 ALA H 1 1 1 321 1 1 21 ALA HA H 11.494 -1.932 0.357 1.00 . A A . 21 ALA HA 1 1 1 322 1 1 21 ALA HB1 H 10.115 -2.330 -2.301 1.00 . A A . 21 ALA HB1 1 1 1 323 1 1 21 ALA HB2 H 10.070 -3.447 -0.946 1.00 . A A . 21 ALA HB2 1 1 1 324 1 1 21 ALA HB3 H 11.592 -3.144 -1.786 1.00 . A A . 21 ALA HB3 1 1 1 325 1 1 21 ALA N N 9.710 -0.955 -0.009 1.00 . A A . 21 ALA N 1 1 1 326 1 1 21 ALA O O 13.012 -0.492 -1.070 1.00 . A A . 21 ALA O 1 1 1 327 1 1 22 ALA C C 12.472 2.442 -1.614 1.00 . A A . 22 ALA C 1 1 1 328 1 1 22 ALA CA C 11.838 1.471 -2.584 1.00 . A A . 22 ALA CA 1 1 1 329 1 1 22 ALA CB C 10.889 2.189 -3.508 1.00 . A A . 22 ALA CB 1 1 1 330 1 1 22 ALA H H 10.171 0.385 -1.878 1.00 . A A . 22 ALA H 1 1 1 331 1 1 22 ALA HA H 12.617 1.015 -3.177 1.00 . A A . 22 ALA HA 1 1 1 332 1 1 22 ALA HB1 H 11.430 2.938 -4.068 1.00 . A A . 22 ALA HB1 1 1 1 333 1 1 22 ALA HB2 H 10.111 2.653 -2.919 1.00 . A A . 22 ALA HB2 1 1 1 334 1 1 22 ALA HB3 H 10.455 1.467 -4.183 1.00 . A A . 22 ALA HB3 1 1 1 335 1 1 22 ALA N N 11.153 0.413 -1.871 1.00 . A A . 22 ALA N 1 1 1 336 1 1 22 ALA O O 13.487 3.045 -1.894 1.00 . A A . 22 ALA O 1 1 1 337 1 1 23 TRP C C 13.283 2.904 1.480 1.00 . A A . 23 TRP C 1 1 1 338 1 1 23 TRP CA C 12.311 3.519 0.493 1.00 . A A . 23 TRP CA 1 1 1 339 1 1 23 TRP CB C 11.134 4.162 1.181 1.00 . A A . 23 TRP CB 1 1 1 340 1 1 23 TRP CD1 C 11.042 6.573 1.951 1.00 . A A . 23 TRP CD1 1 1 1 341 1 1 23 TRP CD2 C 11.272 6.323 -0.253 1.00 . A A . 23 TRP CD2 1 1 1 342 1 1 23 TRP CE2 C 11.222 7.694 0.027 1.00 . A A . 23 TRP CE2 1 1 1 343 1 1 23 TRP CE3 C 11.429 5.907 -1.581 1.00 . A A . 23 TRP CE3 1 1 1 344 1 1 23 TRP CG C 11.123 5.630 0.990 1.00 . A A . 23 TRP CG 1 1 1 345 1 1 23 TRP CH2 C 11.498 8.210 -2.260 1.00 . A A . 23 TRP CH2 1 1 1 346 1 1 23 TRP CZ2 C 11.332 8.657 -0.972 1.00 . A A . 23 TRP CZ2 1 1 1 347 1 1 23 TRP CZ3 C 11.544 6.845 -2.561 1.00 . A A . 23 TRP CZ3 1 1 1 348 1 1 23 TRP H H 11.042 2.067 -0.331 1.00 . A A . 23 TRP H 1 1 1 349 1 1 23 TRP HA H 12.842 4.298 -0.034 1.00 . A A . 23 TRP HA 1 1 1 350 1 1 23 TRP HB2 H 10.227 3.749 0.763 1.00 . A A . 23 TRP HB2 1 1 1 351 1 1 23 TRP HB3 H 11.176 3.939 2.236 1.00 . A A . 23 TRP HB3 1 1 1 352 1 1 23 TRP HD1 H 10.938 6.340 3.000 1.00 . A A . 23 TRP HD1 1 1 1 353 1 1 23 TRP HE1 H 10.985 8.661 1.896 1.00 . A A . 23 TRP HE1 1 1 1 354 1 1 23 TRP HE3 H 11.464 4.856 -1.834 1.00 . A A . 23 TRP HE3 1 1 1 355 1 1 23 TRP HH2 H 11.604 8.909 -3.074 1.00 . A A . 23 TRP HH2 1 1 1 356 1 1 23 TRP HZ2 H 11.297 9.716 -0.758 1.00 . A A . 23 TRP HZ2 1 1 1 357 1 1 23 TRP HZ3 H 11.680 6.516 -3.582 1.00 . A A . 23 TRP HZ3 1 1 1 358 1 1 23 TRP N N 11.848 2.599 -0.494 1.00 . A A . 23 TRP N 1 1 1 359 1 1 23 TRP NE1 N 11.062 7.824 1.383 1.00 . A A . 23 TRP NE1 1 1 1 360 1 1 23 TRP O O 14.265 3.509 1.840 1.00 . A A . 23 TRP O 1 1 1 361 1 1 24 ALA C C 15.047 0.437 2.224 1.00 . A A . 24 ALA C 1 1 1 362 1 1 24 ALA CA C 13.812 1.062 2.895 1.00 . A A . 24 ALA CA 1 1 1 363 1 1 24 ALA CB C 13.009 0.004 3.640 1.00 . A A . 24 ALA CB 1 1 1 364 1 1 24 ALA H H 12.142 1.307 1.652 1.00 . A A . 24 ALA H 1 1 1 365 1 1 24 ALA HA H 14.115 1.813 3.609 1.00 . A A . 24 ALA HA 1 1 1 366 1 1 24 ALA HB1 H 12.671 -0.748 2.942 1.00 . A A . 24 ALA HB1 1 1 1 367 1 1 24 ALA HB2 H 12.145 0.467 4.094 1.00 . A A . 24 ALA HB2 1 1 1 368 1 1 24 ALA HB3 H 13.621 -0.453 4.402 1.00 . A A . 24 ALA HB3 1 1 1 369 1 1 24 ALA N N 12.972 1.743 1.948 1.00 . A A . 24 ALA N 1 1 1 370 1 1 24 ALA O O 16.178 0.690 2.607 1.00 . A A . 24 ALA O 1 1 1 371 1 1 25 LEU C C 16.528 -0.428 -0.558 1.00 . A A . 25 LEU C 1 1 1 372 1 1 25 LEU CA C 15.804 -1.195 0.557 1.00 . A A . 25 LEU CA 1 1 1 373 1 1 25 LEU CB C 15.166 -2.473 -0.013 1.00 . A A . 25 LEU CB 1 1 1 374 1 1 25 LEU CD1 C 13.871 -4.600 0.305 1.00 . A A . 25 LEU CD1 1 1 1 375 1 1 25 LEU CD2 C 15.691 -4.012 1.906 1.00 . A A . 25 LEU CD2 1 1 1 376 1 1 25 LEU CG C 14.590 -3.460 1.010 1.00 . A A . 25 LEU CG 1 1 1 377 1 1 25 LEU H H 13.859 -0.520 0.954 1.00 . A A . 25 LEU H 1 1 1 378 1 1 25 LEU HA H 16.535 -1.500 1.290 1.00 . A A . 25 LEU HA 1 1 1 379 1 1 25 LEU HB2 H 14.339 -2.164 -0.641 1.00 . A A . 25 LEU HB2 1 1 1 380 1 1 25 LEU HB3 H 15.905 -2.988 -0.610 1.00 . A A . 25 LEU HB3 1 1 1 381 1 1 25 LEU HD11 H 13.463 -5.286 1.034 1.00 . A A . 25 LEU HD11 1 1 1 382 1 1 25 LEU HD12 H 14.562 -5.125 -0.337 1.00 . A A . 25 LEU HD12 1 1 1 383 1 1 25 LEU HD13 H 13.069 -4.196 -0.294 1.00 . A A . 25 LEU HD13 1 1 1 384 1 1 25 LEU HD21 H 16.435 -4.508 1.298 1.00 . A A . 25 LEU HD21 1 1 1 385 1 1 25 LEU HD22 H 15.256 -4.723 2.592 1.00 . A A . 25 LEU HD22 1 1 1 386 1 1 25 LEU HD23 H 16.151 -3.213 2.467 1.00 . A A . 25 LEU HD23 1 1 1 387 1 1 25 LEU HG H 13.873 -2.944 1.630 1.00 . A A . 25 LEU HG 1 1 1 388 1 1 25 LEU N N 14.785 -0.413 1.252 1.00 . A A . 25 LEU N 1 1 1 389 1 1 25 LEU O O 17.722 -0.599 -0.761 1.00 . A A . 25 LEU O 1 1 1 390 1 1 26 LEU C C 16.936 2.410 -2.183 1.00 . A A . 26 LEU C 1 1 1 391 1 1 26 LEU CA C 16.342 1.030 -2.475 1.00 . A A . 26 LEU CA 1 1 1 392 1 1 26 LEU CB C 15.253 1.107 -3.554 1.00 . A A . 26 LEU CB 1 1 1 393 1 1 26 LEU CD1 C 16.647 0.975 -5.651 1.00 . A A . 26 LEU CD1 1 1 1 394 1 1 26 LEU CD2 C 14.363 2.035 -5.707 1.00 . A A . 26 LEU CD2 1 1 1 395 1 1 26 LEU CG C 15.610 1.775 -4.876 1.00 . A A . 26 LEU CG 1 1 1 396 1 1 26 LEU H H 14.858 0.531 -1.072 1.00 . A A . 26 LEU H 1 1 1 397 1 1 26 LEU HA H 17.136 0.408 -2.844 1.00 . A A . 26 LEU HA 1 1 1 398 1 1 26 LEU HB2 H 14.904 0.108 -3.768 1.00 . A A . 26 LEU HB2 1 1 1 399 1 1 26 LEU HB3 H 14.442 1.668 -3.115 1.00 . A A . 26 LEU HB3 1 1 1 400 1 1 26 LEU HD11 H 17.553 0.908 -5.068 1.00 . A A . 26 LEU HD11 1 1 1 401 1 1 26 LEU HD12 H 16.861 1.465 -6.590 1.00 . A A . 26 LEU HD12 1 1 1 402 1 1 26 LEU HD13 H 16.268 -0.018 -5.841 1.00 . A A . 26 LEU HD13 1 1 1 403 1 1 26 LEU HD21 H 13.712 2.699 -5.153 1.00 . A A . 26 LEU HD21 1 1 1 404 1 1 26 LEU HD22 H 13.854 1.102 -5.899 1.00 . A A . 26 LEU HD22 1 1 1 405 1 1 26 LEU HD23 H 14.634 2.501 -6.643 1.00 . A A . 26 LEU HD23 1 1 1 406 1 1 26 LEU HG H 16.047 2.726 -4.620 1.00 . A A . 26 LEU HG 1 1 1 407 1 1 26 LEU N N 15.799 0.373 -1.295 1.00 . A A . 26 LEU N 1 1 1 408 1 1 26 LEU O O 17.701 2.943 -2.987 1.00 . A A . 26 LEU O 1 1 1 409 1 1 27 ALA C C 18.221 4.238 0.300 1.00 . A A . 27 ALA C 1 1 1 410 1 1 27 ALA CA C 17.076 4.289 -0.722 1.00 . A A . 27 ALA CA 1 1 1 411 1 1 27 ALA CB C 15.926 5.188 -0.261 1.00 . A A . 27 ALA CB 1 1 1 412 1 1 27 ALA H H 16.053 2.436 -0.453 1.00 . A A . 27 ALA H 1 1 1 413 1 1 27 ALA HA H 17.476 4.698 -1.637 1.00 . A A . 27 ALA HA 1 1 1 414 1 1 27 ALA HB1 H 15.502 4.818 0.661 1.00 . A A . 27 ALA HB1 1 1 1 415 1 1 27 ALA HB2 H 15.148 5.229 -1.012 1.00 . A A . 27 ALA HB2 1 1 1 416 1 1 27 ALA HB3 H 16.295 6.190 -0.096 1.00 . A A . 27 ALA HB3 1 1 1 417 1 1 27 ALA N N 16.605 2.961 -1.066 1.00 . A A . 27 ALA N 1 1 1 418 1 1 27 ALA O O 19.397 4.377 -0.109 1.00 . A A . 27 ALA O 1 1 1 419 1 1 27 ALA OXT O 17.948 4.045 1.491 1.00 . A A . 27 ALA OXT 1 1 2 420 1 1 1 ARG C C 9.597 -6.502 -1.416 1.00 . A A . 1 ARG C 1 1 2 421 1 1 1 ARG CA C 9.239 -7.757 -2.128 1.00 . A A . 1 ARG CA 1 1 2 422 1 1 1 ARG CB C 10.414 -8.719 -2.126 1.00 . A A . 1 ARG CB 1 1 2 423 1 1 1 ARG CD C 11.331 -10.879 -2.952 1.00 . A A . 1 ARG CD 1 1 2 424 1 1 1 ARG CG C 10.149 -9.952 -2.939 1.00 . A A . 1 ARG CG 1 1 2 425 1 1 1 ARG CZ C 11.606 -13.237 -3.664 1.00 . A A . 1 ARG CZ 1 1 2 426 1 1 1 ARG H1 H 8.113 -6.685 -3.477 1.00 . A A . 1 ARG H1 1 1 2 427 1 1 1 ARG H2 H 8.455 -8.213 -4.008 1.00 . A A . 1 ARG H2 1 1 2 428 1 1 1 ARG H3 H 9.668 -7.012 -4.017 1.00 . A A . 1 ARG H3 1 1 2 429 1 1 1 ARG HA H 8.394 -8.205 -1.628 1.00 . A A . 1 ARG HA 1 1 2 430 1 1 1 ARG HB2 H 11.283 -8.225 -2.536 1.00 . A A . 1 ARG HB2 1 1 2 431 1 1 1 ARG HB3 H 10.618 -9.019 -1.108 1.00 . A A . 1 ARG HB3 1 1 2 432 1 1 1 ARG HD2 H 12.197 -10.326 -3.289 1.00 . A A . 1 ARG HD2 1 1 2 433 1 1 1 ARG HD3 H 11.516 -11.242 -1.953 1.00 . A A . 1 ARG HD3 1 1 2 434 1 1 1 ARG HE H 10.607 -11.785 -4.665 1.00 . A A . 1 ARG HE 1 1 2 435 1 1 1 ARG HG2 H 9.300 -10.471 -2.519 1.00 . A A . 1 ARG HG2 1 1 2 436 1 1 1 ARG HG3 H 9.920 -9.657 -3.951 1.00 . A A . 1 ARG HG3 1 1 2 437 1 1 1 ARG HH11 H 12.080 -12.956 -1.694 1.00 . A A . 1 ARG HH11 1 1 2 438 1 1 1 ARG HH12 H 12.502 -14.483 -2.303 1.00 . A A . 1 ARG HH12 1 1 2 439 1 1 1 ARG HH21 H 11.136 -13.898 -5.539 1.00 . A A . 1 ARG HH21 1 1 2 440 1 1 1 ARG HH22 H 11.921 -15.055 -4.580 1.00 . A A . 1 ARG HH22 1 1 2 441 1 1 1 ARG N N 8.861 -7.407 -3.492 1.00 . A A . 1 ARG N 1 1 2 442 1 1 1 ARG NE N 11.109 -12.018 -3.848 1.00 . A A . 1 ARG NE 1 1 2 443 1 1 1 ARG NH1 N 12.086 -13.585 -2.479 1.00 . A A . 1 ARG NH1 1 1 2 444 1 1 1 ARG NH2 N 11.548 -14.124 -4.648 1.00 . A A . 1 ARG NH2 1 1 2 445 1 1 1 ARG O O 10.285 -5.645 -1.965 1.00 . A A . 1 ARG O 1 1 2 446 1 1 2 ASN C C 10.365 -5.247 1.536 1.00 . A A . 2 ASN C 1 1 2 447 1 1 2 ASN CA C 9.287 -5.142 0.494 1.00 . A A . 2 ASN CA 1 1 2 448 1 1 2 ASN CB C 7.950 -4.691 1.127 1.00 . A A . 2 ASN CB 1 1 2 449 1 1 2 ASN CG C 6.774 -4.582 0.132 1.00 . A A . 2 ASN CG 1 1 2 450 1 1 2 ASN H H 8.727 -7.145 0.236 1.00 . A A . 2 ASN H 1 1 2 451 1 1 2 ASN HA H 9.590 -4.402 -0.231 1.00 . A A . 2 ASN HA 1 1 2 452 1 1 2 ASN HB2 H 7.672 -5.390 1.902 1.00 . A A . 2 ASN HB2 1 1 2 453 1 1 2 ASN HB3 H 8.109 -3.718 1.570 1.00 . A A . 2 ASN HB3 1 1 2 454 1 1 2 ASN HD21 H 5.996 -3.024 1.100 1.00 . A A . 2 ASN HD21 1 1 2 455 1 1 2 ASN HD22 H 5.148 -3.568 -0.286 1.00 . A A . 2 ASN HD22 1 1 2 456 1 1 2 ASN N N 9.149 -6.377 -0.211 1.00 . A A . 2 ASN N 1 1 2 457 1 1 2 ASN ND2 N 5.903 -3.637 0.345 1.00 . A A . 2 ASN ND2 1 1 2 458 1 1 2 ASN O O 10.484 -6.262 2.206 1.00 . A A . 2 ASN O 1 1 2 459 1 1 2 ASN OD1 O 6.671 -5.334 -0.829 1.00 . A A . 2 ASN OD1 1 1 2 460 1 1 3 LYS C C 12.711 -2.736 2.862 1.00 . A A . 3 LYS C 1 1 2 461 1 1 3 LYS CA C 12.269 -4.158 2.591 1.00 . A A . 3 LYS CA 1 1 2 462 1 1 3 LYS CB C 13.440 -5.015 2.144 1.00 . A A . 3 LYS CB 1 1 2 463 1 1 3 LYS CD C 15.054 -5.565 0.311 1.00 . A A . 3 LYS CD 1 1 2 464 1 1 3 LYS CE C 16.276 -5.121 1.088 1.00 . A A . 3 LYS CE 1 1 2 465 1 1 3 LYS CG C 13.833 -4.762 0.717 1.00 . A A . 3 LYS CG 1 1 2 466 1 1 3 LYS H H 11.066 -3.467 1.007 1.00 . A A . 3 LYS H 1 1 2 467 1 1 3 LYS HA H 11.909 -4.544 3.519 1.00 . A A . 3 LYS HA 1 1 2 468 1 1 3 LYS HB2 H 14.273 -4.790 2.793 1.00 . A A . 3 LYS HB2 1 1 2 469 1 1 3 LYS HB3 H 13.179 -6.058 2.256 1.00 . A A . 3 LYS HB3 1 1 2 470 1 1 3 LYS HD2 H 14.874 -6.612 0.507 1.00 . A A . 3 LYS HD2 1 1 2 471 1 1 3 LYS HD3 H 15.233 -5.419 -0.744 1.00 . A A . 3 LYS HD3 1 1 2 472 1 1 3 LYS HE2 H 16.492 -4.094 0.845 1.00 . A A . 3 LYS HE2 1 1 2 473 1 1 3 LYS HE3 H 16.050 -5.195 2.141 1.00 . A A . 3 LYS HE3 1 1 2 474 1 1 3 LYS HG2 H 12.956 -5.018 0.139 1.00 . A A . 3 LYS HG2 1 1 2 475 1 1 3 LYS HG3 H 14.011 -3.701 0.643 1.00 . A A . 3 LYS HG3 1 1 2 476 1 1 3 LYS HZ1 H 17.640 -5.957 -0.235 1.00 . A A . 3 LYS HZ1 1 1 2 477 1 1 3 LYS HZ2 H 17.283 -6.927 1.084 1.00 . A A . 3 LYS HZ2 1 1 2 478 1 1 3 LYS HZ3 H 18.283 -5.582 1.273 1.00 . A A . 3 LYS HZ3 1 1 2 479 1 1 3 LYS N N 11.180 -4.217 1.628 1.00 . A A . 3 LYS N 1 1 2 480 1 1 3 LYS NZ N 17.444 -5.944 0.783 1.00 . A A . 3 LYS NZ 1 1 2 481 1 1 3 LYS O O 12.983 -2.360 3.998 1.00 . A A . 3 LYS O 1 1 2 482 1 1 4 LEU C C 12.013 0.290 2.290 1.00 . A A . 4 LEU C 1 1 2 483 1 1 4 LEU CA C 13.189 -0.594 1.899 1.00 . A A . 4 LEU CA 1 1 2 484 1 1 4 LEU CB C 13.733 -0.205 0.536 1.00 . A A . 4 LEU CB 1 1 2 485 1 1 4 LEU CD1 C 15.796 1.078 1.177 1.00 . A A . 4 LEU CD1 1 1 2 486 1 1 4 LEU CD2 C 14.691 1.496 -1.028 1.00 . A A . 4 LEU CD2 1 1 2 487 1 1 4 LEU CG C 14.476 1.127 0.427 1.00 . A A . 4 LEU CG 1 1 2 488 1 1 4 LEU H H 12.511 -2.332 0.952 1.00 . A A . 4 LEU H 1 1 2 489 1 1 4 LEU HA H 13.966 -0.491 2.638 1.00 . A A . 4 LEU HA 1 1 2 490 1 1 4 LEU HB2 H 14.387 -1.020 0.262 1.00 . A A . 4 LEU HB2 1 1 2 491 1 1 4 LEU HB3 H 12.901 -0.202 -0.153 1.00 . A A . 4 LEU HB3 1 1 2 492 1 1 4 LEU HD11 H 16.441 0.335 0.730 1.00 . A A . 4 LEU HD11 1 1 2 493 1 1 4 LEU HD12 H 15.615 0.809 2.207 1.00 . A A . 4 LEU HD12 1 1 2 494 1 1 4 LEU HD13 H 16.272 2.046 1.133 1.00 . A A . 4 LEU HD13 1 1 2 495 1 1 4 LEU HD21 H 13.735 1.623 -1.512 1.00 . A A . 4 LEU HD21 1 1 2 496 1 1 4 LEU HD22 H 15.241 0.709 -1.522 1.00 . A A . 4 LEU HD22 1 1 2 497 1 1 4 LEU HD23 H 15.249 2.417 -1.085 1.00 . A A . 4 LEU HD23 1 1 2 498 1 1 4 LEU HG H 13.866 1.894 0.883 1.00 . A A . 4 LEU HG 1 1 2 499 1 1 4 LEU N N 12.760 -1.965 1.829 1.00 . A A . 4 LEU N 1 1 2 500 1 1 4 LEU O O 10.845 -0.128 2.156 1.00 . A A . 4 LEU O 1 1 2 501 1 1 5 ALA C C 10.274 2.769 2.178 1.00 . A A . 5 ALA C 1 1 2 502 1 1 5 ALA CA C 11.348 2.492 3.207 1.00 . A A . 5 ALA CA 1 1 2 503 1 1 5 ALA CB C 12.056 3.781 3.582 1.00 . A A . 5 ALA CB 1 1 2 504 1 1 5 ALA H H 13.271 1.763 2.781 1.00 . A A . 5 ALA H 1 1 2 505 1 1 5 ALA HA H 10.880 2.102 4.095 1.00 . A A . 5 ALA HA 1 1 2 506 1 1 5 ALA HB1 H 11.344 4.483 3.989 1.00 . A A . 5 ALA HB1 1 1 2 507 1 1 5 ALA HB2 H 12.522 4.197 2.701 1.00 . A A . 5 ALA HB2 1 1 2 508 1 1 5 ALA HB3 H 12.816 3.563 4.316 1.00 . A A . 5 ALA HB3 1 1 2 509 1 1 5 ALA N N 12.322 1.508 2.736 1.00 . A A . 5 ALA N 1 1 2 510 1 1 5 ALA O O 9.097 2.902 2.501 1.00 . A A . 5 ALA O 1 1 2 511 1 1 6 TYR C C 8.988 1.842 -0.530 1.00 . A A . 6 TYR C 1 1 2 512 1 1 6 TYR CA C 9.732 3.087 -0.120 1.00 . A A . 6 TYR CA 1 1 2 513 1 1 6 TYR CB C 10.369 3.761 -1.326 1.00 . A A . 6 TYR CB 1 1 2 514 1 1 6 TYR CD1 C 9.870 6.215 -1.220 1.00 . A A . 6 TYR CD1 1 1 2 515 1 1 6 TYR CD2 C 12.071 5.502 -0.686 1.00 . A A . 6 TYR CD2 1 1 2 516 1 1 6 TYR CE1 C 10.227 7.522 -0.991 1.00 . A A . 6 TYR CE1 1 1 2 517 1 1 6 TYR CE2 C 12.440 6.811 -0.451 1.00 . A A . 6 TYR CE2 1 1 2 518 1 1 6 TYR CG C 10.782 5.185 -1.073 1.00 . A A . 6 TYR CG 1 1 2 519 1 1 6 TYR CZ C 11.513 7.817 -0.605 1.00 . A A . 6 TYR CZ 1 1 2 520 1 1 6 TYR H H 11.633 2.720 0.789 1.00 . A A . 6 TYR H 1 1 2 521 1 1 6 TYR HA H 9.005 3.766 0.298 1.00 . A A . 6 TYR HA 1 1 2 522 1 1 6 TYR HB2 H 11.241 3.201 -1.621 1.00 . A A . 6 TYR HB2 1 1 2 523 1 1 6 TYR HB3 H 9.658 3.757 -2.141 1.00 . A A . 6 TYR HB3 1 1 2 524 1 1 6 TYR HD1 H 8.860 5.977 -1.520 1.00 . A A . 6 TYR HD1 1 1 2 525 1 1 6 TYR HD2 H 12.792 4.706 -0.572 1.00 . A A . 6 TYR HD2 1 1 2 526 1 1 6 TYR HE1 H 9.499 8.309 -1.114 1.00 . A A . 6 TYR HE1 1 1 2 527 1 1 6 TYR HE2 H 13.450 7.043 -0.145 1.00 . A A . 6 TYR HE2 1 1 2 528 1 1 6 TYR HH H 11.160 9.520 0.128 1.00 . A A . 6 TYR HH 1 1 2 529 1 1 6 TYR N N 10.674 2.838 0.948 1.00 . A A . 6 TYR N 1 1 2 530 1 1 6 TYR O O 7.933 1.934 -1.142 1.00 . A A . 6 TYR O 1 1 2 531 1 1 6 TYR OH O 11.873 9.118 -0.385 1.00 . A A . 6 TYR OH 1 1 2 532 1 1 7 ASN C C 7.677 -0.708 0.427 1.00 . A A . 7 ASN C 1 1 2 533 1 1 7 ASN CA C 8.806 -0.527 -0.549 1.00 . A A . 7 ASN CA 1 1 2 534 1 1 7 ASN CB C 9.649 -1.796 -0.435 1.00 . A A . 7 ASN CB 1 1 2 535 1 1 7 ASN CG C 10.959 -1.875 -1.191 1.00 . A A . 7 ASN CG 1 1 2 536 1 1 7 ASN H H 10.353 0.649 0.309 1.00 . A A . 7 ASN H 1 1 2 537 1 1 7 ASN HA H 8.419 -0.440 -1.550 1.00 . A A . 7 ASN HA 1 1 2 538 1 1 7 ASN HB2 H 9.878 -1.959 0.606 1.00 . A A . 7 ASN HB2 1 1 2 539 1 1 7 ASN HB3 H 9.018 -2.608 -0.768 1.00 . A A . 7 ASN HB3 1 1 2 540 1 1 7 ASN HD21 H 10.372 -0.650 -2.649 1.00 . A A . 7 ASN HD21 1 1 2 541 1 1 7 ASN HD22 H 11.948 -1.342 -2.774 1.00 . A A . 7 ASN HD22 1 1 2 542 1 1 7 ASN N N 9.520 0.681 -0.206 1.00 . A A . 7 ASN N 1 1 2 543 1 1 7 ASN ND2 N 11.096 -1.216 -2.298 1.00 . A A . 7 ASN ND2 1 1 2 544 1 1 7 ASN O O 6.534 -0.696 0.076 1.00 . A A . 7 ASN O 1 1 2 545 1 1 7 ASN OD1 O 11.865 -2.557 -0.726 1.00 . A A . 7 ASN OD1 1 1 2 546 1 1 8 MET C C 6.339 0.115 3.196 1.00 . A A . 8 MET C 1 1 2 547 1 1 8 MET CA C 7.074 -1.129 2.713 1.00 . A A . 8 MET CA 1 1 2 548 1 1 8 MET CB C 7.654 -1.992 3.850 1.00 . A A . 8 MET CB 1 1 2 549 1 1 8 MET CE C 5.431 -4.344 3.754 1.00 . A A . 8 MET CE 1 1 2 550 1 1 8 MET CG C 6.705 -2.197 5.035 1.00 . A A . 8 MET CG 1 1 2 551 1 1 8 MET H H 8.992 -0.787 1.901 1.00 . A A . 8 MET H 1 1 2 552 1 1 8 MET HA H 6.321 -1.722 2.216 1.00 . A A . 8 MET HA 1 1 2 553 1 1 8 MET HB2 H 7.922 -2.956 3.443 1.00 . A A . 8 MET HB2 1 1 2 554 1 1 8 MET HB3 H 8.567 -1.548 4.212 1.00 . A A . 8 MET HB3 1 1 2 555 1 1 8 MET HE1 H 5.964 -4.986 4.439 1.00 . A A . 8 MET HE1 1 1 2 556 1 1 8 MET HE2 H 6.026 -4.154 2.871 1.00 . A A . 8 MET HE2 1 1 2 557 1 1 8 MET HE3 H 4.506 -4.816 3.455 1.00 . A A . 8 MET HE3 1 1 2 558 1 1 8 MET HG2 H 7.148 -2.921 5.703 1.00 . A A . 8 MET HG2 1 1 2 559 1 1 8 MET HG3 H 6.601 -1.257 5.555 1.00 . A A . 8 MET HG3 1 1 2 560 1 1 8 MET N N 8.039 -0.877 1.675 1.00 . A A . 8 MET N 1 1 2 561 1 1 8 MET O O 5.131 0.215 3.043 1.00 . A A . 8 MET O 1 1 2 562 1 1 8 MET SD S 5.054 -2.789 4.556 1.00 . A A . 8 MET SD 1 1 2 563 1 1 9 GLY C C 5.681 3.081 3.361 1.00 . A A . 9 GLY C 1 1 2 564 1 1 9 GLY CA C 6.501 2.264 4.325 1.00 . A A . 9 GLY CA 1 1 2 565 1 1 9 GLY H H 8.063 0.970 3.711 1.00 . A A . 9 GLY H 1 1 2 566 1 1 9 GLY HA2 H 5.860 1.963 5.141 1.00 . A A . 9 GLY HA2 1 1 2 567 1 1 9 GLY HA3 H 7.294 2.881 4.723 1.00 . A A . 9 GLY HA3 1 1 2 568 1 1 9 GLY N N 7.085 1.069 3.725 1.00 . A A . 9 GLY N 1 1 2 569 1 1 9 GLY O O 4.561 3.489 3.682 1.00 . A A . 9 GLY O 1 1 2 570 1 1 10 HIS C C 4.259 3.358 0.684 1.00 . A A . 10 HIS C 1 1 2 571 1 1 10 HIS CA C 5.533 4.076 1.176 1.00 . A A . 10 HIS CA 1 1 2 572 1 1 10 HIS CB C 6.489 4.396 0.032 1.00 . A A . 10 HIS CB 1 1 2 573 1 1 10 HIS CD2 C 5.705 5.248 -2.251 1.00 . A A . 10 HIS CD2 1 1 2 574 1 1 10 HIS CE1 C 5.082 7.222 -1.649 1.00 . A A . 10 HIS CE1 1 1 2 575 1 1 10 HIS CG C 5.951 5.367 -0.937 1.00 . A A . 10 HIS CG 1 1 2 576 1 1 10 HIS H H 7.107 2.919 2.007 1.00 . A A . 10 HIS H 1 1 2 577 1 1 10 HIS HA H 5.217 5.011 1.624 1.00 . A A . 10 HIS HA 1 1 2 578 1 1 10 HIS HB2 H 7.385 4.840 0.442 1.00 . A A . 10 HIS HB2 1 1 2 579 1 1 10 HIS HB3 H 6.734 3.486 -0.498 1.00 . A A . 10 HIS HB3 1 1 2 580 1 1 10 HIS HD1 H 5.613 7.011 0.319 1.00 . A A . 10 HIS HD1 1 1 2 581 1 1 10 HIS HD2 H 5.943 4.383 -2.854 1.00 . A A . 10 HIS HD2 1 1 2 582 1 1 10 HIS HE1 H 4.669 8.215 -1.623 1.00 . A A . 10 HIS HE1 1 1 2 583 1 1 10 HIS N N 6.216 3.294 2.184 1.00 . A A . 10 HIS N 1 1 2 584 1 1 10 HIS ND1 N 5.556 6.623 -0.583 1.00 . A A . 10 HIS ND1 1 1 2 585 1 1 10 HIS NE2 N 5.146 6.433 -2.710 1.00 . A A . 10 HIS NE2 1 1 2 586 1 1 10 HIS O O 3.199 3.972 0.568 1.00 . A A . 10 HIS O 1 1 2 587 1 1 11 TYR C C 2.154 1.138 1.085 1.00 . A A . 11 TYR C 1 1 2 588 1 1 11 TYR CA C 3.198 1.268 0.018 1.00 . A A . 11 TYR CA 1 1 2 589 1 1 11 TYR CB C 3.583 -0.110 -0.449 1.00 . A A . 11 TYR CB 1 1 2 590 1 1 11 TYR CD1 C 5.053 0.177 -2.472 1.00 . A A . 11 TYR CD1 1 1 2 591 1 1 11 TYR CD2 C 2.870 -0.714 -2.744 1.00 . A A . 11 TYR CD2 1 1 2 592 1 1 11 TYR CE1 C 5.272 0.063 -3.832 1.00 . A A . 11 TYR CE1 1 1 2 593 1 1 11 TYR CE2 C 3.071 -0.832 -4.093 1.00 . A A . 11 TYR CE2 1 1 2 594 1 1 11 TYR CG C 3.847 -0.210 -1.914 1.00 . A A . 11 TYR CG 1 1 2 595 1 1 11 TYR CZ C 4.274 -0.443 -4.640 1.00 . A A . 11 TYR CZ 1 1 2 596 1 1 11 TYR H H 5.221 1.610 0.568 1.00 . A A . 11 TYR H 1 1 2 597 1 1 11 TYR HA H 2.749 1.788 -0.815 1.00 . A A . 11 TYR HA 1 1 2 598 1 1 11 TYR HB2 H 4.483 -0.391 0.074 1.00 . A A . 11 TYR HB2 1 1 2 599 1 1 11 TYR HB3 H 2.790 -0.800 -0.197 1.00 . A A . 11 TYR HB3 1 1 2 600 1 1 11 TYR HD1 H 5.822 0.566 -1.820 1.00 . A A . 11 TYR HD1 1 1 2 601 1 1 11 TYR HD2 H 1.930 -1.019 -2.305 1.00 . A A . 11 TYR HD2 1 1 2 602 1 1 11 TYR HE1 H 6.217 0.371 -4.255 1.00 . A A . 11 TYR HE1 1 1 2 603 1 1 11 TYR HE2 H 2.272 -1.228 -4.701 1.00 . A A . 11 TYR HE2 1 1 2 604 1 1 11 TYR HH H 3.660 -0.375 -6.445 1.00 . A A . 11 TYR HH 1 1 2 605 1 1 11 TYR N N 4.356 2.057 0.451 1.00 . A A . 11 TYR N 1 1 2 606 1 1 11 TYR O O 0.977 1.064 0.775 1.00 . A A . 11 TYR O 1 1 2 607 1 1 11 TYR OH O 4.487 -0.576 -5.991 1.00 . A A . 11 TYR OH 1 1 2 608 1 1 12 ALA C C 0.639 2.103 3.422 1.00 . A A . 12 ALA C 1 1 2 609 1 1 12 ALA CA C 1.658 0.987 3.455 1.00 . A A . 12 ALA CA 1 1 2 610 1 1 12 ALA CB C 2.402 0.975 4.776 1.00 . A A . 12 ALA CB 1 1 2 611 1 1 12 ALA H H 3.546 1.144 2.513 1.00 . A A . 12 ALA H 1 1 2 612 1 1 12 ALA HA H 1.142 0.044 3.345 1.00 . A A . 12 ALA HA 1 1 2 613 1 1 12 ALA HB1 H 3.124 0.172 4.765 1.00 . A A . 12 ALA HB1 1 1 2 614 1 1 12 ALA HB2 H 1.701 0.825 5.584 1.00 . A A . 12 ALA HB2 1 1 2 615 1 1 12 ALA HB3 H 2.914 1.917 4.904 1.00 . A A . 12 ALA HB3 1 1 2 616 1 1 12 ALA N N 2.578 1.106 2.339 1.00 . A A . 12 ALA N 1 1 2 617 1 1 12 ALA O O -0.549 1.857 3.555 1.00 . A A . 12 ALA O 1 1 2 618 1 1 13 GLY C C -0.786 4.327 1.954 1.00 . A A . 13 GLY C 1 1 2 619 1 1 13 GLY CA C 0.234 4.461 3.077 1.00 . A A . 13 GLY CA 1 1 2 620 1 1 13 GLY H H 2.072 3.414 2.986 1.00 . A A . 13 GLY H 1 1 2 621 1 1 13 GLY HA2 H -0.280 4.571 4.021 1.00 . A A . 13 GLY HA2 1 1 2 622 1 1 13 GLY HA3 H 0.830 5.342 2.901 1.00 . A A . 13 GLY HA3 1 1 2 623 1 1 13 GLY N N 1.111 3.314 3.151 1.00 . A A . 13 GLY N 1 1 2 624 1 1 13 GLY O O -1.959 4.673 2.116 1.00 . A A . 13 GLY O 1 1 2 625 1 1 14 LYS C C -2.177 2.449 -0.111 1.00 . A A . 14 LYS C 1 1 2 626 1 1 14 LYS CA C -1.223 3.609 -0.315 1.00 . A A . 14 LYS CA 1 1 2 627 1 1 14 LYS CB C -0.437 3.452 -1.631 1.00 . A A . 14 LYS CB 1 1 2 628 1 1 14 LYS CD C 1.131 5.457 -1.394 1.00 . A A . 14 LYS CD 1 1 2 629 1 1 14 LYS CE C 1.561 6.781 -2.010 1.00 . A A . 14 LYS CE 1 1 2 630 1 1 14 LYS CG C 0.079 4.759 -2.244 1.00 . A A . 14 LYS CG 1 1 2 631 1 1 14 LYS H H 0.586 3.486 0.791 1.00 . A A . 14 LYS H 1 1 2 632 1 1 14 LYS HA H -1.822 4.505 -0.382 1.00 . A A . 14 LYS HA 1 1 2 633 1 1 14 LYS HB2 H 0.410 2.812 -1.439 1.00 . A A . 14 LYS HB2 1 1 2 634 1 1 14 LYS HB3 H -1.075 2.964 -2.352 1.00 . A A . 14 LYS HB3 1 1 2 635 1 1 14 LYS HD2 H 0.727 5.636 -0.409 1.00 . A A . 14 LYS HD2 1 1 2 636 1 1 14 LYS HD3 H 1.997 4.816 -1.308 1.00 . A A . 14 LYS HD3 1 1 2 637 1 1 14 LYS HE2 H 0.698 7.423 -2.083 1.00 . A A . 14 LYS HE2 1 1 2 638 1 1 14 LYS HE3 H 2.298 7.246 -1.369 1.00 . A A . 14 LYS HE3 1 1 2 639 1 1 14 LYS HG2 H 0.507 4.545 -3.213 1.00 . A A . 14 LYS HG2 1 1 2 640 1 1 14 LYS HG3 H -0.766 5.420 -2.370 1.00 . A A . 14 LYS HG3 1 1 2 641 1 1 14 LYS HZ1 H 2.510 7.508 -3.738 1.00 . A A . 14 LYS HZ1 1 1 2 642 1 1 14 LYS HZ2 H 1.423 6.279 -4.034 1.00 . A A . 14 LYS HZ2 1 1 2 643 1 1 14 LYS HZ3 H 2.913 5.914 -3.359 1.00 . A A . 14 LYS HZ3 1 1 2 644 1 1 14 LYS N N -0.348 3.790 0.832 1.00 . A A . 14 LYS N 1 1 2 645 1 1 14 LYS NZ N 2.141 6.611 -3.360 1.00 . A A . 14 LYS NZ 1 1 2 646 1 1 14 LYS O O -3.321 2.483 -0.555 1.00 . A A . 14 LYS O 1 1 2 647 1 1 15 ALA C C -3.596 0.550 1.852 1.00 . A A . 15 ALA C 1 1 2 648 1 1 15 ALA CA C -2.507 0.273 0.830 1.00 . A A . 15 ALA CA 1 1 2 649 1 1 15 ALA CB C -1.646 -0.896 1.239 1.00 . A A . 15 ALA CB 1 1 2 650 1 1 15 ALA H H -0.790 1.473 0.917 1.00 . A A . 15 ALA H 1 1 2 651 1 1 15 ALA HA H -2.999 0.023 -0.098 1.00 . A A . 15 ALA HA 1 1 2 652 1 1 15 ALA HB1 H -0.901 -1.071 0.477 1.00 . A A . 15 ALA HB1 1 1 2 653 1 1 15 ALA HB2 H -2.278 -1.765 1.338 1.00 . A A . 15 ALA HB2 1 1 2 654 1 1 15 ALA HB3 H -1.163 -0.682 2.180 1.00 . A A . 15 ALA HB3 1 1 2 655 1 1 15 ALA N N -1.713 1.440 0.578 1.00 . A A . 15 ALA N 1 1 2 656 1 1 15 ALA O O -4.622 -0.090 1.837 1.00 . A A . 15 ALA O 1 1 2 657 1 1 16 THR C C -5.498 2.664 3.000 1.00 . A A . 16 THR C 1 1 2 658 1 1 16 THR CA C -4.394 1.845 3.682 1.00 . A A . 16 THR CA 1 1 2 659 1 1 16 THR CB C -3.834 2.631 4.873 1.00 . A A . 16 THR CB 1 1 2 660 1 1 16 THR CG2 C -4.885 2.721 5.962 1.00 . A A . 16 THR CG2 1 1 2 661 1 1 16 THR H H -2.497 1.929 2.774 1.00 . A A . 16 THR H 1 1 2 662 1 1 16 THR HA H -4.824 0.924 4.042 1.00 . A A . 16 THR HA 1 1 2 663 1 1 16 THR HB H -3.567 3.630 4.561 1.00 . A A . 16 THR HB 1 1 2 664 1 1 16 THR HG1 H -2.988 1.086 5.713 1.00 . A A . 16 THR HG1 1 1 2 665 1 1 16 THR HG21 H -5.741 3.258 5.580 1.00 . A A . 16 THR HG21 1 1 2 666 1 1 16 THR HG22 H -4.489 3.228 6.828 1.00 . A A . 16 THR HG22 1 1 2 667 1 1 16 THR HG23 H -5.189 1.718 6.227 1.00 . A A . 16 THR HG23 1 1 2 668 1 1 16 THR N N -3.374 1.492 2.732 1.00 . A A . 16 THR N 1 1 2 669 1 1 16 THR O O -6.679 2.491 3.285 1.00 . A A . 16 THR O 1 1 2 670 1 1 16 THR OG1 O -2.699 1.950 5.397 1.00 . A A . 16 THR OG1 1 1 2 671 1 1 17 ILE C C -6.825 3.494 0.328 1.00 . A A . 17 ILE C 1 1 2 672 1 1 17 ILE CA C -6.135 4.324 1.417 1.00 . A A . 17 ILE CA 1 1 2 673 1 1 17 ILE CB C -5.635 5.722 0.882 1.00 . A A . 17 ILE CB 1 1 2 674 1 1 17 ILE CD1 C -6.411 7.852 -0.342 1.00 . A A . 17 ILE CD1 1 1 2 675 1 1 17 ILE CG1 C -6.774 6.461 0.143 1.00 . A A . 17 ILE CG1 1 1 2 676 1 1 17 ILE CG2 C -4.401 5.590 -0.003 1.00 . A A . 17 ILE CG2 1 1 2 677 1 1 17 ILE H H -4.169 3.687 1.902 1.00 . A A . 17 ILE H 1 1 2 678 1 1 17 ILE HA H -6.898 4.502 2.164 1.00 . A A . 17 ILE HA 1 1 2 679 1 1 17 ILE HB H -5.346 6.313 1.740 1.00 . A A . 17 ILE HB 1 1 2 680 1 1 17 ILE HD11 H -7.266 8.299 -0.826 1.00 . A A . 17 ILE HD11 1 1 2 681 1 1 17 ILE HD12 H -5.597 7.798 -1.049 1.00 . A A . 17 ILE HD12 1 1 2 682 1 1 17 ILE HD13 H -6.118 8.460 0.500 1.00 . A A . 17 ILE HD13 1 1 2 683 1 1 17 ILE HG12 H -7.066 5.882 -0.723 1.00 . A A . 17 ILE HG12 1 1 2 684 1 1 17 ILE HG13 H -7.625 6.542 0.804 1.00 . A A . 17 ILE HG13 1 1 2 685 1 1 17 ILE HG21 H -4.640 4.960 -0.848 1.00 . A A . 17 ILE HG21 1 1 2 686 1 1 17 ILE HG22 H -3.597 5.151 0.568 1.00 . A A . 17 ILE HG22 1 1 2 687 1 1 17 ILE HG23 H -4.101 6.567 -0.355 1.00 . A A . 17 ILE HG23 1 1 2 688 1 1 17 ILE N N -5.122 3.557 2.100 1.00 . A A . 17 ILE N 1 1 2 689 1 1 17 ILE O O -8.030 3.337 0.345 1.00 . A A . 17 ILE O 1 1 2 690 1 1 18 PHE C C -6.984 0.755 -1.284 1.00 . A A . 18 PHE C 1 1 2 691 1 1 18 PHE CA C -6.597 2.173 -1.683 1.00 . A A . 18 PHE CA 1 1 2 692 1 1 18 PHE CB C -5.666 2.172 -2.881 1.00 . A A . 18 PHE CB 1 1 2 693 1 1 18 PHE CD1 C -3.995 3.936 -3.450 1.00 . A A . 18 PHE CD1 1 1 2 694 1 1 18 PHE CD2 C -6.306 4.446 -3.674 1.00 . A A . 18 PHE CD2 1 1 2 695 1 1 18 PHE CE1 C -3.667 5.206 -3.868 1.00 . A A . 18 PHE CE1 1 1 2 696 1 1 18 PHE CE2 C -5.989 5.721 -4.095 1.00 . A A . 18 PHE CE2 1 1 2 697 1 1 18 PHE CG C -5.314 3.545 -3.352 1.00 . A A . 18 PHE CG 1 1 2 698 1 1 18 PHE CZ C -4.666 6.101 -4.191 1.00 . A A . 18 PHE CZ 1 1 2 699 1 1 18 PHE H H -5.076 3.033 -0.518 1.00 . A A . 18 PHE H 1 1 2 700 1 1 18 PHE HA H -7.504 2.690 -1.968 1.00 . A A . 18 PHE HA 1 1 2 701 1 1 18 PHE HB2 H -4.754 1.657 -2.620 1.00 . A A . 18 PHE HB2 1 1 2 702 1 1 18 PHE HB3 H -6.154 1.658 -3.695 1.00 . A A . 18 PHE HB3 1 1 2 703 1 1 18 PHE HD1 H -3.214 3.233 -3.198 1.00 . A A . 18 PHE HD1 1 1 2 704 1 1 18 PHE HD2 H -7.335 4.129 -3.586 1.00 . A A . 18 PHE HD2 1 1 2 705 1 1 18 PHE HE1 H -2.630 5.498 -3.936 1.00 . A A . 18 PHE HE1 1 1 2 706 1 1 18 PHE HE2 H -6.771 6.420 -4.347 1.00 . A A . 18 PHE HE2 1 1 2 707 1 1 18 PHE HZ H -4.415 7.097 -4.521 1.00 . A A . 18 PHE HZ 1 1 2 708 1 1 18 PHE N N -6.054 2.944 -0.587 1.00 . A A . 18 PHE N 1 1 2 709 1 1 18 PHE O O -8.148 0.364 -1.376 1.00 . A A . 18 PHE O 1 1 2 710 1 1 19 GLY C C -7.222 -1.645 0.530 1.00 . A A . 19 GLY C 1 1 2 711 1 1 19 GLY CA C -6.157 -1.410 -0.503 1.00 . A A . 19 GLY CA 1 1 2 712 1 1 19 GLY H H -5.098 0.403 -0.794 1.00 . A A . 19 GLY H 1 1 2 713 1 1 19 GLY HA2 H -6.405 -1.971 -1.390 1.00 . A A . 19 GLY HA2 1 1 2 714 1 1 19 GLY HA3 H -5.219 -1.773 -0.106 1.00 . A A . 19 GLY HA3 1 1 2 715 1 1 19 GLY N N -5.986 -0.004 -0.854 1.00 . A A . 19 GLY N 1 1 2 716 1 1 19 GLY O O -8.073 -2.520 0.369 1.00 . A A . 19 GLY O 1 1 2 717 1 1 20 LEU C C -9.558 -0.602 2.151 1.00 . A A . 20 LEU C 1 1 2 718 1 1 20 LEU CA C -8.163 -1.021 2.634 1.00 . A A . 20 LEU CA 1 1 2 719 1 1 20 LEU CB C -7.796 -0.231 3.870 1.00 . A A . 20 LEU CB 1 1 2 720 1 1 20 LEU CD1 C -7.000 -1.931 5.495 1.00 . A A . 20 LEU CD1 1 1 2 721 1 1 20 LEU CD2 C -8.314 0.045 6.303 1.00 . A A . 20 LEU CD2 1 1 2 722 1 1 20 LEU CG C -8.097 -0.935 5.174 1.00 . A A . 20 LEU CG 1 1 2 723 1 1 20 LEU H H -6.429 -0.246 1.679 1.00 . A A . 20 LEU H 1 1 2 724 1 1 20 LEU HA H -8.198 -2.070 2.888 1.00 . A A . 20 LEU HA 1 1 2 725 1 1 20 LEU HB2 H -6.740 -0.001 3.826 1.00 . A A . 20 LEU HB2 1 1 2 726 1 1 20 LEU HB3 H -8.351 0.695 3.848 1.00 . A A . 20 LEU HB3 1 1 2 727 1 1 20 LEU HD11 H -6.077 -1.381 5.632 1.00 . A A . 20 LEU HD11 1 1 2 728 1 1 20 LEU HD12 H -6.886 -2.623 4.672 1.00 . A A . 20 LEU HD12 1 1 2 729 1 1 20 LEU HD13 H -7.244 -2.466 6.400 1.00 . A A . 20 LEU HD13 1 1 2 730 1 1 20 LEU HD21 H -8.529 -0.504 7.207 1.00 . A A . 20 LEU HD21 1 1 2 731 1 1 20 LEU HD22 H -9.165 0.662 6.056 1.00 . A A . 20 LEU HD22 1 1 2 732 1 1 20 LEU HD23 H -7.435 0.656 6.442 1.00 . A A . 20 LEU HD23 1 1 2 733 1 1 20 LEU HG H -9.004 -1.504 5.031 1.00 . A A . 20 LEU HG 1 1 2 734 1 1 20 LEU N N -7.184 -0.877 1.589 1.00 . A A . 20 LEU N 1 1 2 735 1 1 20 LEU O O -10.557 -1.167 2.587 1.00 . A A . 20 LEU O 1 1 2 736 1 1 21 ALA C C -11.531 -0.312 -0.142 1.00 . A A . 21 ALA C 1 1 2 737 1 1 21 ALA CA C -10.907 0.802 0.673 1.00 . A A . 21 ALA CA 1 1 2 738 1 1 21 ALA CB C -10.758 2.050 -0.177 1.00 . A A . 21 ALA CB 1 1 2 739 1 1 21 ALA H H -8.823 0.809 0.875 1.00 . A A . 21 ALA H 1 1 2 740 1 1 21 ALA HA H -11.558 1.020 1.507 1.00 . A A . 21 ALA HA 1 1 2 741 1 1 21 ALA HB1 H -10.321 2.842 0.414 1.00 . A A . 21 ALA HB1 1 1 2 742 1 1 21 ALA HB2 H -11.720 2.362 -0.557 1.00 . A A . 21 ALA HB2 1 1 2 743 1 1 21 ALA HB3 H -10.101 1.825 -1.004 1.00 . A A . 21 ALA HB3 1 1 2 744 1 1 21 ALA N N -9.628 0.365 1.218 1.00 . A A . 21 ALA N 1 1 2 745 1 1 21 ALA O O -12.735 -0.389 -0.278 1.00 . A A . 21 ALA O 1 1 2 746 1 1 22 ALA C C -11.883 -3.291 -0.490 1.00 . A A . 22 ALA C 1 1 2 747 1 1 22 ALA CA C -11.160 -2.335 -1.414 1.00 . A A . 22 ALA CA 1 1 2 748 1 1 22 ALA CB C -10.017 -3.032 -2.137 1.00 . A A . 22 ALA CB 1 1 2 749 1 1 22 ALA H H -9.733 -1.032 -0.546 1.00 . A A . 22 ALA H 1 1 2 750 1 1 22 ALA HA H -11.884 -2.000 -2.142 1.00 . A A . 22 ALA HA 1 1 2 751 1 1 22 ALA HB1 H -9.311 -3.395 -1.405 1.00 . A A . 22 ALA HB1 1 1 2 752 1 1 22 ALA HB2 H -9.522 -2.336 -2.797 1.00 . A A . 22 ALA HB2 1 1 2 753 1 1 22 ALA HB3 H -10.403 -3.866 -2.706 1.00 . A A . 22 ALA HB3 1 1 2 754 1 1 22 ALA N N -10.697 -1.179 -0.669 1.00 . A A . 22 ALA N 1 1 2 755 1 1 22 ALA O O -12.782 -3.996 -0.899 1.00 . A A . 22 ALA O 1 1 2 756 1 1 23 TRP C C -13.299 -3.520 2.359 1.00 . A A . 23 TRP C 1 1 2 757 1 1 23 TRP CA C -12.130 -4.205 1.667 1.00 . A A . 23 TRP CA 1 1 2 758 1 1 23 TRP CB C -11.159 -4.792 2.675 1.00 . A A . 23 TRP CB 1 1 2 759 1 1 23 TRP CD1 C -11.657 -6.907 4.056 1.00 . A A . 23 TRP CD1 1 1 2 760 1 1 23 TRP CD2 C -11.544 -7.246 1.843 1.00 . A A . 23 TRP CD2 1 1 2 761 1 1 23 TRP CE2 C -11.819 -8.472 2.462 1.00 . A A . 23 TRP CE2 1 1 2 762 1 1 23 TRP CE3 C -11.434 -7.203 0.445 1.00 . A A . 23 TRP CE3 1 1 2 763 1 1 23 TRP CG C -11.425 -6.256 2.883 1.00 . A A . 23 TRP CG 1 1 2 764 1 1 23 TRP CH2 C -11.881 -9.575 0.368 1.00 . A A . 23 TRP CH2 1 1 2 765 1 1 23 TRP CZ2 C -11.988 -9.651 1.734 1.00 . A A . 23 TRP CZ2 1 1 2 766 1 1 23 TRP CZ3 C -11.605 -8.362 -0.275 1.00 . A A . 23 TRP CZ3 1 1 2 767 1 1 23 TRP H H -10.738 -2.752 1.043 1.00 . A A . 23 TRP H 1 1 2 768 1 1 23 TRP HA H -12.540 -5.014 1.081 1.00 . A A . 23 TRP HA 1 1 2 769 1 1 23 TRP HB2 H -10.134 -4.615 2.388 1.00 . A A . 23 TRP HB2 1 1 2 770 1 1 23 TRP HB3 H -11.338 -4.288 3.611 1.00 . A A . 23 TRP HB3 1 1 2 771 1 1 23 TRP HD1 H -11.649 -6.442 5.031 1.00 . A A . 23 TRP HD1 1 1 2 772 1 1 23 TRP HE1 H -12.055 -8.929 4.497 1.00 . A A . 23 TRP HE1 1 1 2 773 1 1 23 TRP HE3 H -11.221 -6.277 -0.071 1.00 . A A . 23 TRP HE3 1 1 2 774 1 1 23 TRP HH2 H -12.008 -10.463 -0.235 1.00 . A A . 23 TRP HH2 1 1 2 775 1 1 23 TRP HZ2 H -12.200 -10.595 2.211 1.00 . A A . 23 TRP HZ2 1 1 2 776 1 1 23 TRP HZ3 H -11.528 -8.321 -1.353 1.00 . A A . 23 TRP HZ3 1 1 2 777 1 1 23 TRP N N -11.476 -3.330 0.750 1.00 . A A . 23 TRP N 1 1 2 778 1 1 23 TRP NE1 N -11.875 -8.243 3.813 1.00 . A A . 23 TRP NE1 1 1 2 779 1 1 23 TRP O O -14.326 -4.114 2.560 1.00 . A A . 23 TRP O 1 1 2 780 1 1 24 ALA C C -15.265 -1.058 2.465 1.00 . A A . 24 ALA C 1 1 2 781 1 1 24 ALA CA C -14.158 -1.540 3.418 1.00 . A A . 24 ALA CA 1 1 2 782 1 1 24 ALA CB C -13.562 -0.371 4.184 1.00 . A A . 24 ALA CB 1 1 2 783 1 1 24 ALA H H -12.242 -1.861 2.573 1.00 . A A . 24 ALA H 1 1 2 784 1 1 24 ALA HA H -14.594 -2.211 4.142 1.00 . A A . 24 ALA HA 1 1 2 785 1 1 24 ALA HB1 H -13.125 0.326 3.484 1.00 . A A . 24 ALA HB1 1 1 2 786 1 1 24 ALA HB2 H -12.800 -0.725 4.863 1.00 . A A . 24 ALA HB2 1 1 2 787 1 1 24 ALA HB3 H -14.343 0.126 4.741 1.00 . A A . 24 ALA HB3 1 1 2 788 1 1 24 ALA N N -13.113 -2.283 2.740 1.00 . A A . 24 ALA N 1 1 2 789 1 1 24 ALA O O -16.439 -1.289 2.694 1.00 . A A . 24 ALA O 1 1 2 790 1 1 25 LEU C C -16.271 -0.623 -0.629 1.00 . A A . 25 LEU C 1 1 2 791 1 1 25 LEU CA C -15.786 0.303 0.491 1.00 . A A . 25 LEU CA 1 1 2 792 1 1 25 LEU CB C -15.193 1.599 -0.117 1.00 . A A . 25 LEU CB 1 1 2 793 1 1 25 LEU CD1 C -14.130 2.683 1.920 1.00 . A A . 25 LEU CD1 1 1 2 794 1 1 25 LEU CD2 C -14.780 4.071 -0.049 1.00 . A A . 25 LEU CD2 1 1 2 795 1 1 25 LEU CG C -15.121 2.849 0.780 1.00 . A A . 25 LEU CG 1 1 2 796 1 1 25 LEU H H -13.903 -0.218 1.288 1.00 . A A . 25 LEU H 1 1 2 797 1 1 25 LEU HA H -16.662 0.586 1.055 1.00 . A A . 25 LEU HA 1 1 2 798 1 1 25 LEU HB2 H -14.178 1.377 -0.420 1.00 . A A . 25 LEU HB2 1 1 2 799 1 1 25 LEU HB3 H -15.765 1.843 -0.999 1.00 . A A . 25 LEU HB3 1 1 2 800 1 1 25 LEU HD11 H -13.146 2.504 1.514 1.00 . A A . 25 LEU HD11 1 1 2 801 1 1 25 LEU HD12 H -14.431 1.844 2.530 1.00 . A A . 25 LEU HD12 1 1 2 802 1 1 25 LEU HD13 H -14.116 3.578 2.523 1.00 . A A . 25 LEU HD13 1 1 2 803 1 1 25 LEU HD21 H -13.824 3.922 -0.525 1.00 . A A . 25 LEU HD21 1 1 2 804 1 1 25 LEU HD22 H -14.731 4.941 0.589 1.00 . A A . 25 LEU HD22 1 1 2 805 1 1 25 LEU HD23 H -15.539 4.214 -0.804 1.00 . A A . 25 LEU HD23 1 1 2 806 1 1 25 LEU HG H -16.096 3.008 1.215 1.00 . A A . 25 LEU HG 1 1 2 807 1 1 25 LEU N N -14.864 -0.322 1.446 1.00 . A A . 25 LEU N 1 1 2 808 1 1 25 LEU O O -17.347 -0.414 -1.177 1.00 . A A . 25 LEU O 1 1 2 809 1 1 26 LEU C C -16.441 -3.757 -1.734 1.00 . A A . 26 LEU C 1 1 2 810 1 1 26 LEU CA C -15.793 -2.446 -2.143 1.00 . A A . 26 LEU CA 1 1 2 811 1 1 26 LEU CB C -14.537 -2.704 -2.982 1.00 . A A . 26 LEU CB 1 1 2 812 1 1 26 LEU CD1 C -15.504 -3.086 -5.280 1.00 . A A . 26 LEU CD1 1 1 2 813 1 1 26 LEU CD2 C -13.301 -4.136 -4.643 1.00 . A A . 26 LEU CD2 1 1 2 814 1 1 26 LEU CG C -14.670 -3.676 -4.155 1.00 . A A . 26 LEU CG 1 1 2 815 1 1 26 LEU H H -14.635 -1.766 -0.510 1.00 . A A . 26 LEU H 1 1 2 816 1 1 26 LEU HA H -16.498 -1.906 -2.745 1.00 . A A . 26 LEU HA 1 1 2 817 1 1 26 LEU HB2 H -14.201 -1.757 -3.377 1.00 . A A . 26 LEU HB2 1 1 2 818 1 1 26 LEU HB3 H -13.774 -3.084 -2.318 1.00 . A A . 26 LEU HB3 1 1 2 819 1 1 26 LEU HD11 H -15.560 -3.795 -6.092 1.00 . A A . 26 LEU HD11 1 1 2 820 1 1 26 LEU HD12 H -15.039 -2.175 -5.626 1.00 . A A . 26 LEU HD12 1 1 2 821 1 1 26 LEU HD13 H -16.500 -2.866 -4.924 1.00 . A A . 26 LEU HD13 1 1 2 822 1 1 26 LEU HD21 H -12.716 -3.278 -4.941 1.00 . A A . 26 LEU HD21 1 1 2 823 1 1 26 LEU HD22 H -13.429 -4.796 -5.489 1.00 . A A . 26 LEU HD22 1 1 2 824 1 1 26 LEU HD23 H -12.793 -4.667 -3.849 1.00 . A A . 26 LEU HD23 1 1 2 825 1 1 26 LEU HG H -15.200 -4.538 -3.781 1.00 . A A . 26 LEU HG 1 1 2 826 1 1 26 LEU N N -15.467 -1.598 -1.001 1.00 . A A . 26 LEU N 1 1 2 827 1 1 26 LEU O O -17.209 -4.348 -2.493 1.00 . A A . 26 LEU O 1 1 2 828 1 1 27 ALA C C -17.764 -5.297 0.899 1.00 . A A . 27 ALA C 1 1 2 829 1 1 27 ALA CA C -16.627 -5.461 -0.090 1.00 . A A . 27 ALA CA 1 1 2 830 1 1 27 ALA CB C -15.488 -6.281 0.497 1.00 . A A . 27 ALA CB 1 1 2 831 1 1 27 ALA H H -15.623 -3.590 0.009 1.00 . A A . 27 ALA H 1 1 2 832 1 1 27 ALA HA H -17.012 -5.988 -0.949 1.00 . A A . 27 ALA HA 1 1 2 833 1 1 27 ALA HB1 H -14.713 -6.400 -0.244 1.00 . A A . 27 ALA HB1 1 1 2 834 1 1 27 ALA HB2 H -15.852 -7.252 0.796 1.00 . A A . 27 ALA HB2 1 1 2 835 1 1 27 ALA HB3 H -15.080 -5.765 1.353 1.00 . A A . 27 ALA HB3 1 1 2 836 1 1 27 ALA N N -16.148 -4.181 -0.565 1.00 . A A . 27 ALA N 1 1 2 837 1 1 27 ALA O O -18.937 -5.361 0.481 1.00 . A A . 27 ALA O 1 1 2 838 1 1 27 ALA OXT O -17.493 -5.105 2.090 1.00 . A A . 27 ALA OXT 1 1 3 839 1 1 1 ARG C C 11.906 -6.924 -2.717 1.00 . A A . 1 ARG C 1 1 3 840 1 1 1 ARG CA C 11.064 -8.195 -2.611 1.00 . A A . 1 ARG CA 1 1 3 841 1 1 1 ARG CB C 9.621 -7.781 -2.258 1.00 . A A . 1 ARG CB 1 1 3 842 1 1 1 ARG CD C 8.459 -9.799 -3.238 1.00 . A A . 1 ARG CD 1 1 3 843 1 1 1 ARG CG C 8.629 -8.910 -2.022 1.00 . A A . 1 ARG CG 1 1 3 844 1 1 1 ARG CZ C 7.409 -12.074 -3.021 1.00 . A A . 1 ARG CZ 1 1 3 845 1 1 1 ARG H1 H 11.676 -8.586 -0.667 1.00 . A A . 1 ARG H1 1 1 3 846 1 1 1 ARG H2 H 12.591 -9.348 -1.859 1.00 . A A . 1 ARG H2 1 1 3 847 1 1 1 ARG H3 H 11.094 -9.952 -1.453 1.00 . A A . 1 ARG H3 1 1 3 848 1 1 1 ARG HA H 11.070 -8.711 -3.558 1.00 . A A . 1 ARG HA 1 1 3 849 1 1 1 ARG HB2 H 9.645 -7.162 -1.374 1.00 . A A . 1 ARG HB2 1 1 3 850 1 1 1 ARG HB3 H 9.248 -7.176 -3.071 1.00 . A A . 1 ARG HB3 1 1 3 851 1 1 1 ARG HD2 H 8.284 -9.180 -4.107 1.00 . A A . 1 ARG HD2 1 1 3 852 1 1 1 ARG HD3 H 9.368 -10.360 -3.373 1.00 . A A . 1 ARG HD3 1 1 3 853 1 1 1 ARG HE H 6.450 -10.308 -3.012 1.00 . A A . 1 ARG HE 1 1 3 854 1 1 1 ARG HG2 H 9.001 -9.513 -1.209 1.00 . A A . 1 ARG HG2 1 1 3 855 1 1 1 ARG HG3 H 7.675 -8.487 -1.751 1.00 . A A . 1 ARG HG3 1 1 3 856 1 1 1 ARG HH11 H 9.455 -12.215 -3.164 1.00 . A A . 1 ARG HH11 1 1 3 857 1 1 1 ARG HH12 H 8.661 -13.699 -2.995 1.00 . A A . 1 ARG HH12 1 1 3 858 1 1 1 ARG HH21 H 5.385 -12.347 -2.885 1.00 . A A . 1 ARG HH21 1 1 3 859 1 1 1 ARG HH22 H 6.278 -13.782 -2.901 1.00 . A A . 1 ARG HH22 1 1 3 860 1 1 1 ARG N N 11.630 -9.074 -1.586 1.00 . A A . 1 ARG N 1 1 3 861 1 1 1 ARG NE N 7.337 -10.733 -3.074 1.00 . A A . 1 ARG NE 1 1 3 862 1 1 1 ARG NH1 N 8.582 -12.700 -3.077 1.00 . A A . 1 ARG NH1 1 1 3 863 1 1 1 ARG NH2 N 6.295 -12.779 -2.926 1.00 . A A . 1 ARG NH2 1 1 3 864 1 1 1 ARG O O 11.479 -5.961 -3.355 1.00 . A A . 1 ARG O 1 1 3 865 1 1 2 ASN C C 13.415 -4.768 -0.984 1.00 . A A . 2 ASN C 1 1 3 866 1 1 2 ASN CA C 14.000 -5.772 -1.974 1.00 . A A . 2 ASN CA 1 1 3 867 1 1 2 ASN CB C 14.318 -5.096 -3.334 1.00 . A A . 2 ASN CB 1 1 3 868 1 1 2 ASN CG C 15.265 -3.912 -3.193 1.00 . A A . 2 ASN CG 1 1 3 869 1 1 2 ASN H H 13.421 -7.765 -1.663 1.00 . A A . 2 ASN H 1 1 3 870 1 1 2 ASN HA H 14.915 -6.145 -1.535 1.00 . A A . 2 ASN HA 1 1 3 871 1 1 2 ASN HB2 H 14.772 -5.814 -4.004 1.00 . A A . 2 ASN HB2 1 1 3 872 1 1 2 ASN HB3 H 13.402 -4.741 -3.783 1.00 . A A . 2 ASN HB3 1 1 3 873 1 1 2 ASN HD21 H 16.795 -5.098 -3.489 1.00 . A A . 2 ASN HD21 1 1 3 874 1 1 2 ASN HD22 H 17.181 -3.441 -3.230 1.00 . A A . 2 ASN HD22 1 1 3 875 1 1 2 ASN N N 13.103 -6.942 -2.094 1.00 . A A . 2 ASN N 1 1 3 876 1 1 2 ASN ND2 N 16.527 -4.168 -3.313 1.00 . A A . 2 ASN ND2 1 1 3 877 1 1 2 ASN O O 12.423 -4.057 -1.285 1.00 . A A . 2 ASN O 1 1 3 878 1 1 2 ASN OD1 O 14.847 -2.772 -3.006 1.00 . A A . 2 ASN OD1 1 1 3 879 1 1 3 LYS C C 13.891 -2.439 0.973 1.00 . A A . 3 LYS C 1 1 3 880 1 1 3 LYS CA C 13.476 -3.864 1.238 1.00 . A A . 3 LYS CA 1 1 3 881 1 1 3 LYS CB C 13.947 -4.256 2.639 1.00 . A A . 3 LYS CB 1 1 3 882 1 1 3 LYS CD C 14.043 -3.099 4.906 1.00 . A A . 3 LYS CD 1 1 3 883 1 1 3 LYS CE C 15.019 -2.003 4.491 1.00 . A A . 3 LYS CE 1 1 3 884 1 1 3 LYS CG C 13.171 -3.532 3.734 1.00 . A A . 3 LYS CG 1 1 3 885 1 1 3 LYS H H 14.794 -5.260 0.374 1.00 . A A . 3 LYS H 1 1 3 886 1 1 3 LYS HA H 12.399 -3.924 1.199 1.00 . A A . 3 LYS HA 1 1 3 887 1 1 3 LYS HB2 H 13.801 -5.317 2.769 1.00 . A A . 3 LYS HB2 1 1 3 888 1 1 3 LYS HB3 H 14.995 -4.018 2.746 1.00 . A A . 3 LYS HB3 1 1 3 889 1 1 3 LYS HD2 H 13.401 -2.716 5.685 1.00 . A A . 3 LYS HD2 1 1 3 890 1 1 3 LYS HD3 H 14.597 -3.953 5.272 1.00 . A A . 3 LYS HD3 1 1 3 891 1 1 3 LYS HE2 H 15.763 -2.439 3.842 1.00 . A A . 3 LYS HE2 1 1 3 892 1 1 3 LYS HE3 H 14.488 -1.239 3.940 1.00 . A A . 3 LYS HE3 1 1 3 893 1 1 3 LYS HG2 H 12.706 -2.661 3.298 1.00 . A A . 3 LYS HG2 1 1 3 894 1 1 3 LYS HG3 H 12.395 -4.190 4.099 1.00 . A A . 3 LYS HG3 1 1 3 895 1 1 3 LYS HZ1 H 16.239 -2.100 6.185 1.00 . A A . 3 LYS HZ1 1 1 3 896 1 1 3 LYS HZ2 H 15.007 -0.960 6.284 1.00 . A A . 3 LYS HZ2 1 1 3 897 1 1 3 LYS HZ3 H 16.358 -0.641 5.337 1.00 . A A . 3 LYS HZ3 1 1 3 898 1 1 3 LYS N N 13.989 -4.724 0.204 1.00 . A A . 3 LYS N 1 1 3 899 1 1 3 LYS NZ N 15.704 -1.391 5.644 1.00 . A A . 3 LYS NZ 1 1 3 900 1 1 3 LYS O O 15.012 -2.037 1.256 1.00 . A A . 3 LYS O 1 1 3 901 1 1 4 LEU C C 12.023 0.411 0.630 1.00 . A A . 4 LEU C 1 1 3 902 1 1 4 LEU CA C 13.243 -0.331 0.155 1.00 . A A . 4 LEU CA 1 1 3 903 1 1 4 LEU CB C 13.462 -0.124 -1.344 1.00 . A A . 4 LEU CB 1 1 3 904 1 1 4 LEU CD1 C 15.290 1.590 -1.374 1.00 . A A . 4 LEU CD1 1 1 3 905 1 1 4 LEU CD2 C 13.745 1.382 -3.323 1.00 . A A . 4 LEU CD2 1 1 3 906 1 1 4 LEU CG C 13.870 1.272 -1.815 1.00 . A A . 4 LEU CG 1 1 3 907 1 1 4 LEU H H 12.165 -2.115 0.146 1.00 . A A . 4 LEU H 1 1 3 908 1 1 4 LEU HA H 14.118 -0.009 0.701 1.00 . A A . 4 LEU HA 1 1 3 909 1 1 4 LEU HB2 H 14.265 -0.798 -1.601 1.00 . A A . 4 LEU HB2 1 1 3 910 1 1 4 LEU HB3 H 12.569 -0.429 -1.871 1.00 . A A . 4 LEU HB3 1 1 3 911 1 1 4 LEU HD11 H 15.366 1.505 -0.301 1.00 . A A . 4 LEU HD11 1 1 3 912 1 1 4 LEU HD12 H 15.549 2.595 -1.676 1.00 . A A . 4 LEU HD12 1 1 3 913 1 1 4 LEU HD13 H 15.969 0.892 -1.839 1.00 . A A . 4 LEU HD13 1 1 3 914 1 1 4 LEU HD21 H 14.377 0.637 -3.782 1.00 . A A . 4 LEU HD21 1 1 3 915 1 1 4 LEU HD22 H 14.051 2.365 -3.648 1.00 . A A . 4 LEU HD22 1 1 3 916 1 1 4 LEU HD23 H 12.721 1.210 -3.614 1.00 . A A . 4 LEU HD23 1 1 3 917 1 1 4 LEU HG H 13.212 2.000 -1.363 1.00 . A A . 4 LEU HG 1 1 3 918 1 1 4 LEU N N 13.012 -1.704 0.415 1.00 . A A . 4 LEU N 1 1 3 919 1 1 4 LEU O O 10.898 -0.122 0.542 1.00 . A A . 4 LEU O 1 1 3 920 1 1 5 ALA C C 10.131 2.744 0.565 1.00 . A A . 5 ALA C 1 1 3 921 1 1 5 ALA CA C 11.133 2.424 1.659 1.00 . A A . 5 ALA CA 1 1 3 922 1 1 5 ALA CB C 11.677 3.698 2.287 1.00 . A A . 5 ALA CB 1 1 3 923 1 1 5 ALA H H 13.137 1.947 1.216 1.00 . A A . 5 ALA H 1 1 3 924 1 1 5 ALA HA H 10.620 1.859 2.419 1.00 . A A . 5 ALA HA 1 1 3 925 1 1 5 ALA HB1 H 12.183 4.285 1.535 1.00 . A A . 5 ALA HB1 1 1 3 926 1 1 5 ALA HB2 H 12.371 3.448 3.077 1.00 . A A . 5 ALA HB2 1 1 3 927 1 1 5 ALA HB3 H 10.860 4.270 2.701 1.00 . A A . 5 ALA HB3 1 1 3 928 1 1 5 ALA N N 12.219 1.600 1.150 1.00 . A A . 5 ALA N 1 1 3 929 1 1 5 ALA O O 8.941 2.787 0.797 1.00 . A A . 5 ALA O 1 1 3 930 1 1 6 TYR C C 9.043 1.985 -2.270 1.00 . A A . 6 TYR C 1 1 3 931 1 1 6 TYR CA C 9.775 3.218 -1.758 1.00 . A A . 6 TYR CA 1 1 3 932 1 1 6 TYR CB C 10.562 3.894 -2.869 1.00 . A A . 6 TYR CB 1 1 3 933 1 1 6 TYR CD1 C 10.333 6.390 -2.585 1.00 . A A . 6 TYR CD1 1 1 3 934 1 1 6 TYR CD2 C 12.397 5.369 -1.960 1.00 . A A . 6 TYR CD2 1 1 3 935 1 1 6 TYR CE1 C 10.824 7.622 -2.206 1.00 . A A . 6 TYR CE1 1 1 3 936 1 1 6 TYR CE2 C 12.895 6.595 -1.580 1.00 . A A . 6 TYR CE2 1 1 3 937 1 1 6 TYR CG C 11.111 5.243 -2.469 1.00 . A A . 6 TYR CG 1 1 3 938 1 1 6 TYR CZ C 12.105 7.717 -1.702 1.00 . A A . 6 TYR CZ 1 1 3 939 1 1 6 TYR H H 11.593 2.824 -0.718 1.00 . A A . 6 TYR H 1 1 3 940 1 1 6 TYR HA H 9.033 3.913 -1.395 1.00 . A A . 6 TYR HA 1 1 3 941 1 1 6 TYR HB2 H 11.388 3.253 -3.138 1.00 . A A . 6 TYR HB2 1 1 3 942 1 1 6 TYR HB3 H 9.920 4.034 -3.725 1.00 . A A . 6 TYR HB3 1 1 3 943 1 1 6 TYR HD1 H 9.328 6.313 -2.978 1.00 . A A . 6 TYR HD1 1 1 3 944 1 1 6 TYR HD2 H 13.010 4.485 -1.871 1.00 . A A . 6 TYR HD2 1 1 3 945 1 1 6 TYR HE1 H 10.208 8.503 -2.304 1.00 . A A . 6 TYR HE1 1 1 3 946 1 1 6 TYR HE2 H 13.897 6.674 -1.185 1.00 . A A . 6 TYR HE2 1 1 3 947 1 1 6 TYR HH H 13.470 9.043 -1.715 1.00 . A A . 6 TYR HH 1 1 3 948 1 1 6 TYR N N 10.623 2.910 -0.622 1.00 . A A . 6 TYR N 1 1 3 949 1 1 6 TYR O O 7.972 2.090 -2.838 1.00 . A A . 6 TYR O 1 1 3 950 1 1 6 TYR OH O 12.597 8.936 -1.318 1.00 . A A . 6 TYR OH 1 1 3 951 1 1 7 ASN C C 7.877 -0.753 -1.521 1.00 . A A . 7 ASN C 1 1 3 952 1 1 7 ASN CA C 8.956 -0.397 -2.499 1.00 . A A . 7 ASN CA 1 1 3 953 1 1 7 ASN CB C 9.915 -1.597 -2.649 1.00 . A A . 7 ASN CB 1 1 3 954 1 1 7 ASN CG C 10.970 -1.433 -3.724 1.00 . A A . 7 ASN CG 1 1 3 955 1 1 7 ASN H H 10.477 0.800 -1.607 1.00 . A A . 7 ASN H 1 1 3 956 1 1 7 ASN HA H 8.491 -0.199 -3.452 1.00 . A A . 7 ASN HA 1 1 3 957 1 1 7 ASN HB2 H 10.430 -1.754 -1.712 1.00 . A A . 7 ASN HB2 1 1 3 958 1 1 7 ASN HB3 H 9.330 -2.477 -2.868 1.00 . A A . 7 ASN HB3 1 1 3 959 1 1 7 ASN HD21 H 12.140 -2.740 -2.795 1.00 . A A . 7 ASN HD21 1 1 3 960 1 1 7 ASN HD22 H 12.780 -2.049 -4.222 1.00 . A A . 7 ASN HD22 1 1 3 961 1 1 7 ASN N N 9.622 0.825 -2.076 1.00 . A A . 7 ASN N 1 1 3 962 1 1 7 ASN ND2 N 12.055 -2.140 -3.571 1.00 . A A . 7 ASN ND2 1 1 3 963 1 1 7 ASN O O 6.711 -0.780 -1.847 1.00 . A A . 7 ASN O 1 1 3 964 1 1 7 ASN OD1 O 10.789 -0.712 -4.699 1.00 . A A . 7 ASN OD1 1 1 3 965 1 1 8 MET C C 6.531 -0.288 1.285 1.00 . A A . 8 MET C 1 1 3 966 1 1 8 MET CA C 7.363 -1.426 0.720 1.00 . A A . 8 MET CA 1 1 3 967 1 1 8 MET CB C 8.057 -2.215 1.836 1.00 . A A . 8 MET CB 1 1 3 968 1 1 8 MET CE C 6.324 -4.801 1.222 1.00 . A A . 8 MET CE 1 1 3 969 1 1 8 MET CG C 8.797 -3.473 1.367 1.00 . A A . 8 MET CG 1 1 3 970 1 1 8 MET H H 9.236 -0.872 -0.089 1.00 . A A . 8 MET H 1 1 3 971 1 1 8 MET HA H 6.677 -2.097 0.226 1.00 . A A . 8 MET HA 1 1 3 972 1 1 8 MET HB2 H 8.769 -1.569 2.327 1.00 . A A . 8 MET HB2 1 1 3 973 1 1 8 MET HB3 H 7.311 -2.511 2.557 1.00 . A A . 8 MET HB3 1 1 3 974 1 1 8 MET HE1 H 6.557 -5.270 2.165 1.00 . A A . 8 MET HE1 1 1 3 975 1 1 8 MET HE2 H 5.655 -5.428 0.652 1.00 . A A . 8 MET HE2 1 1 3 976 1 1 8 MET HE3 H 5.842 -3.849 1.392 1.00 . A A . 8 MET HE3 1 1 3 977 1 1 8 MET HG2 H 9.691 -3.177 0.837 1.00 . A A . 8 MET HG2 1 1 3 978 1 1 8 MET HG3 H 9.079 -4.051 2.234 1.00 . A A . 8 MET HG3 1 1 3 979 1 1 8 MET N N 8.287 -0.998 -0.301 1.00 . A A . 8 MET N 1 1 3 980 1 1 8 MET O O 5.326 -0.282 1.149 1.00 . A A . 8 MET O 1 1 3 981 1 1 8 MET SD S 7.818 -4.531 0.262 1.00 . A A . 8 MET SD 1 1 3 982 1 1 9 GLY C C 5.660 2.645 1.696 1.00 . A A . 9 GLY C 1 1 3 983 1 1 9 GLY CA C 6.528 1.778 2.585 1.00 . A A . 9 GLY CA 1 1 3 984 1 1 9 GLY H H 8.182 0.690 1.831 1.00 . A A . 9 GLY H 1 1 3 985 1 1 9 GLY HA2 H 5.902 1.354 3.355 1.00 . A A . 9 GLY HA2 1 1 3 986 1 1 9 GLY HA3 H 7.270 2.406 3.058 1.00 . A A . 9 GLY HA3 1 1 3 987 1 1 9 GLY N N 7.205 0.690 1.879 1.00 . A A . 9 GLY N 1 1 3 988 1 1 9 GLY O O 4.517 2.948 2.049 1.00 . A A . 9 GLY O 1 1 3 989 1 1 10 HIS C C 4.200 3.172 -0.903 1.00 . A A . 10 HIS C 1 1 3 990 1 1 10 HIS CA C 5.457 3.887 -0.391 1.00 . A A . 10 HIS CA 1 1 3 991 1 1 10 HIS CB C 6.389 4.320 -1.530 1.00 . A A . 10 HIS CB 1 1 3 992 1 1 10 HIS CD2 C 5.958 5.454 -3.806 1.00 . A A . 10 HIS CD2 1 1 3 993 1 1 10 HIS CE1 C 4.638 7.013 -3.133 1.00 . A A . 10 HIS CE1 1 1 3 994 1 1 10 HIS CG C 5.807 5.313 -2.471 1.00 . A A . 10 HIS CG 1 1 3 995 1 1 10 HIS H H 7.105 2.741 0.328 1.00 . A A . 10 HIS H 1 1 3 996 1 1 10 HIS HA H 5.116 4.772 0.131 1.00 . A A . 10 HIS HA 1 1 3 997 1 1 10 HIS HB2 H 7.261 4.783 -1.091 1.00 . A A . 10 HIS HB2 1 1 3 998 1 1 10 HIS HB3 H 6.691 3.449 -2.092 1.00 . A A . 10 HIS HB3 1 1 3 999 1 1 10 HIS HD1 H 4.639 6.484 -1.171 1.00 . A A . 10 HIS HD1 1 1 3 1000 1 1 10 HIS HD2 H 6.563 4.841 -4.458 1.00 . A A . 10 HIS HD2 1 1 3 1001 1 1 10 HIS HE1 H 3.986 7.866 -3.071 1.00 . A A . 10 HIS HE1 1 1 3 1002 1 1 10 HIS N N 6.189 3.032 0.543 1.00 . A A . 10 HIS N 1 1 3 1003 1 1 10 HIS ND1 N 4.967 6.310 -2.080 1.00 . A A . 10 HIS ND1 1 1 3 1004 1 1 10 HIS NE2 N 5.206 6.544 -4.223 1.00 . A A . 10 HIS NE2 1 1 3 1005 1 1 10 HIS O O 3.127 3.770 -1.006 1.00 . A A . 10 HIS O 1 1 3 1006 1 1 11 TYR C C 2.250 0.814 -0.457 1.00 . A A . 11 TYR C 1 1 3 1007 1 1 11 TYR CA C 3.188 1.092 -1.588 1.00 . A A . 11 TYR CA 1 1 3 1008 1 1 11 TYR CB C 3.596 -0.209 -2.225 1.00 . A A . 11 TYR CB 1 1 3 1009 1 1 11 TYR CD1 C 5.082 0.243 -4.221 1.00 . A A . 11 TYR CD1 1 1 3 1010 1 1 11 TYR CD2 C 2.839 -0.449 -4.587 1.00 . A A . 11 TYR CD2 1 1 3 1011 1 1 11 TYR CE1 C 5.293 0.307 -5.586 1.00 . A A . 11 TYR CE1 1 1 3 1012 1 1 11 TYR CE2 C 3.033 -0.393 -5.942 1.00 . A A . 11 TYR CE2 1 1 3 1013 1 1 11 TYR CG C 3.852 -0.134 -3.705 1.00 . A A . 11 TYR CG 1 1 3 1014 1 1 11 TYR CZ C 4.259 -0.016 -6.445 1.00 . A A . 11 TYR CZ 1 1 3 1015 1 1 11 TYR H H 5.205 1.463 -1.098 1.00 . A A . 11 TYR H 1 1 3 1016 1 1 11 TYR HA H 2.650 1.669 -2.325 1.00 . A A . 11 TYR HA 1 1 3 1017 1 1 11 TYR HB2 H 4.499 -0.520 -1.731 1.00 . A A . 11 TYR HB2 1 1 3 1018 1 1 11 TYR HB3 H 2.822 -0.940 -2.047 1.00 . A A . 11 TYR HB3 1 1 3 1019 1 1 11 TYR HD1 H 5.874 0.488 -3.527 1.00 . A A . 11 TYR HD1 1 1 3 1020 1 1 11 TYR HD2 H 1.880 -0.744 -4.186 1.00 . A A . 11 TYR HD2 1 1 3 1021 1 1 11 TYR HE1 H 6.256 0.602 -5.976 1.00 . A A . 11 TYR HE1 1 1 3 1022 1 1 11 TYR HE2 H 2.216 -0.649 -6.597 1.00 . A A . 11 TYR HE2 1 1 3 1023 1 1 11 TYR HH H 3.695 0.496 -8.194 1.00 . A A . 11 TYR HH 1 1 3 1024 1 1 11 TYR N N 4.325 1.886 -1.175 1.00 . A A . 11 TYR N 1 1 3 1025 1 1 11 TYR O O 1.069 0.735 -0.673 1.00 . A A . 11 TYR O 1 1 3 1026 1 1 11 TYR OH O 4.456 0.041 -7.810 1.00 . A A . 11 TYR OH 1 1 3 1027 1 1 12 ALA C C 0.891 1.389 2.119 1.00 . A A . 12 ALA C 1 1 3 1028 1 1 12 ALA CA C 1.976 0.369 1.929 1.00 . A A . 12 ALA CA 1 1 3 1029 1 1 12 ALA CB C 2.846 0.301 3.168 1.00 . A A . 12 ALA CB 1 1 3 1030 1 1 12 ALA H H 3.756 0.736 0.844 1.00 . A A . 12 ALA H 1 1 3 1031 1 1 12 ALA HA H 1.518 -0.596 1.781 1.00 . A A . 12 ALA HA 1 1 3 1032 1 1 12 ALA HB1 H 3.637 -0.417 3.009 1.00 . A A . 12 ALA HB1 1 1 3 1033 1 1 12 ALA HB2 H 2.252 0.007 4.021 1.00 . A A . 12 ALA HB2 1 1 3 1034 1 1 12 ALA HB3 H 3.277 1.273 3.352 1.00 . A A . 12 ALA HB3 1 1 3 1035 1 1 12 ALA N N 2.781 0.671 0.745 1.00 . A A . 12 ALA N 1 1 3 1036 1 1 12 ALA O O -0.273 1.037 2.235 1.00 . A A . 12 ALA O 1 1 3 1037 1 1 13 GLY C C -0.733 3.714 1.184 1.00 . A A . 13 GLY C 1 1 3 1038 1 1 13 GLY CA C 0.321 3.723 2.258 1.00 . A A . 13 GLY CA 1 1 3 1039 1 1 13 GLY H H 2.226 2.845 1.948 1.00 . A A . 13 GLY H 1 1 3 1040 1 1 13 GLY HA2 H -0.159 3.651 3.222 1.00 . A A . 13 GLY HA2 1 1 3 1041 1 1 13 GLY HA3 H 0.852 4.660 2.201 1.00 . A A . 13 GLY HA3 1 1 3 1042 1 1 13 GLY N N 1.274 2.650 2.090 1.00 . A A . 13 GLY N 1 1 3 1043 1 1 13 GLY O O -1.923 3.894 1.456 1.00 . A A . 13 GLY O 1 1 3 1044 1 1 14 LYS C C -2.096 2.221 -1.180 1.00 . A A . 14 LYS C 1 1 3 1045 1 1 14 LYS CA C -1.202 3.461 -1.163 1.00 . A A . 14 LYS CA 1 1 3 1046 1 1 14 LYS CB C -0.442 3.651 -2.497 1.00 . A A . 14 LYS CB 1 1 3 1047 1 1 14 LYS CD C 0.903 5.882 -1.984 1.00 . A A . 14 LYS CD 1 1 3 1048 1 1 14 LYS CE C 0.223 6.441 -0.732 1.00 . A A . 14 LYS CE 1 1 3 1049 1 1 14 LYS CG C -0.072 5.119 -2.918 1.00 . A A . 14 LYS CG 1 1 3 1050 1 1 14 LYS H H 0.635 3.180 -0.159 1.00 . A A . 14 LYS H 1 1 3 1051 1 1 14 LYS HA H -1.847 4.314 -1.015 1.00 . A A . 14 LYS HA 1 1 3 1052 1 1 14 LYS HB2 H 0.484 3.099 -2.430 1.00 . A A . 14 LYS HB2 1 1 3 1053 1 1 14 LYS HB3 H -1.038 3.214 -3.285 1.00 . A A . 14 LYS HB3 1 1 3 1054 1 1 14 LYS HD2 H 1.686 5.205 -1.673 1.00 . A A . 14 LYS HD2 1 1 3 1055 1 1 14 LYS HD3 H 1.344 6.699 -2.537 1.00 . A A . 14 LYS HD3 1 1 3 1056 1 1 14 LYS HE2 H -0.577 7.096 -1.040 1.00 . A A . 14 LYS HE2 1 1 3 1057 1 1 14 LYS HE3 H -0.197 5.620 -0.170 1.00 . A A . 14 LYS HE3 1 1 3 1058 1 1 14 LYS HG2 H 0.378 5.090 -3.899 1.00 . A A . 14 LYS HG2 1 1 3 1059 1 1 14 LYS HG3 H -0.992 5.681 -2.990 1.00 . A A . 14 LYS HG3 1 1 3 1060 1 1 14 LYS HZ1 H 2.007 6.680 0.403 1.00 . A A . 14 LYS HZ1 1 1 3 1061 1 1 14 LYS HZ2 H 0.680 7.422 1.045 1.00 . A A . 14 LYS HZ2 1 1 3 1062 1 1 14 LYS HZ3 H 1.425 8.120 -0.274 1.00 . A A . 14 LYS HZ3 1 1 3 1063 1 1 14 LYS N N -0.304 3.445 -0.034 1.00 . A A . 14 LYS N 1 1 3 1064 1 1 14 LYS NZ N 1.150 7.207 0.141 1.00 . A A . 14 LYS NZ 1 1 3 1065 1 1 14 LYS O O -3.263 2.294 -1.557 1.00 . A A . 14 LYS O 1 1 3 1066 1 1 15 ALA C C -3.353 -0.117 0.411 1.00 . A A . 15 ALA C 1 1 3 1067 1 1 15 ALA CA C -2.294 -0.141 -0.671 1.00 . A A . 15 ALA CA 1 1 3 1068 1 1 15 ALA CB C -1.360 -1.326 -0.477 1.00 . A A . 15 ALA CB 1 1 3 1069 1 1 15 ALA H H -0.624 1.110 -0.423 1.00 . A A . 15 ALA H 1 1 3 1070 1 1 15 ALA HA H -2.789 -0.255 -1.622 1.00 . A A . 15 ALA HA 1 1 3 1071 1 1 15 ALA HB1 H -0.846 -1.241 0.469 1.00 . A A . 15 ALA HB1 1 1 3 1072 1 1 15 ALA HB2 H -0.642 -1.358 -1.285 1.00 . A A . 15 ALA HB2 1 1 3 1073 1 1 15 ALA HB3 H -1.955 -2.228 -0.483 1.00 . A A . 15 ALA HB3 1 1 3 1074 1 1 15 ALA N N -1.562 1.107 -0.721 1.00 . A A . 15 ALA N 1 1 3 1075 1 1 15 ALA O O -4.383 -0.749 0.278 1.00 . A A . 15 ALA O 1 1 3 1076 1 1 16 THR C C -5.243 1.617 2.083 1.00 . A A . 16 THR C 1 1 3 1077 1 1 16 THR CA C -4.089 0.700 2.521 1.00 . A A . 16 THR CA 1 1 3 1078 1 1 16 THR CB C -3.472 1.198 3.842 1.00 . A A . 16 THR CB 1 1 3 1079 1 1 16 THR CG2 C -4.477 1.069 4.978 1.00 . A A . 16 THR CG2 1 1 3 1080 1 1 16 THR H H -2.233 1.026 1.573 1.00 . A A . 16 THR H 1 1 3 1081 1 1 16 THR HA H -4.484 -0.294 2.674 1.00 . A A . 16 THR HA 1 1 3 1082 1 1 16 THR HB H -3.196 2.236 3.725 1.00 . A A . 16 THR HB 1 1 3 1083 1 1 16 THR HG1 H -2.644 -0.496 4.398 1.00 . A A . 16 THR HG1 1 1 3 1084 1 1 16 THR HG21 H -5.361 1.642 4.741 1.00 . A A . 16 THR HG21 1 1 3 1085 1 1 16 THR HG22 H -4.041 1.425 5.899 1.00 . A A . 16 THR HG22 1 1 3 1086 1 1 16 THR HG23 H -4.745 0.026 5.078 1.00 . A A . 16 THR HG23 1 1 3 1087 1 1 16 THR N N -3.106 0.593 1.473 1.00 . A A . 16 THR N 1 1 3 1088 1 1 16 THR O O -6.386 1.386 2.421 1.00 . A A . 16 THR O 1 1 3 1089 1 1 16 THR OG1 O -2.329 0.386 4.161 1.00 . A A . 16 THR OG1 1 1 3 1090 1 1 17 ILE C C -6.757 2.859 -0.337 1.00 . A A . 17 ILE C 1 1 3 1091 1 1 17 ILE CA C -6.038 3.484 0.880 1.00 . A A . 17 ILE CA 1 1 3 1092 1 1 17 ILE CB C -5.648 4.985 0.636 1.00 . A A . 17 ILE CB 1 1 3 1093 1 1 17 ILE CD1 C -6.634 7.271 -0.031 1.00 . A A . 17 ILE CD1 1 1 3 1094 1 1 17 ILE CG1 C -6.870 5.784 0.128 1.00 . A A . 17 ILE CG1 1 1 3 1095 1 1 17 ILE CG2 C -4.458 5.123 -0.308 1.00 . A A . 17 ILE CG2 1 1 3 1096 1 1 17 ILE H H -4.016 2.873 1.143 1.00 . A A . 17 ILE H 1 1 3 1097 1 1 17 ILE HA H -6.760 3.452 1.685 1.00 . A A . 17 ILE HA 1 1 3 1098 1 1 17 ILE HB H -5.349 5.389 1.591 1.00 . A A . 17 ILE HB 1 1 3 1099 1 1 17 ILE HD11 H -7.543 7.740 -0.379 1.00 . A A . 17 ILE HD11 1 1 3 1100 1 1 17 ILE HD12 H -5.847 7.437 -0.753 1.00 . A A . 17 ILE HD12 1 1 3 1101 1 1 17 ILE HD13 H -6.353 7.697 0.921 1.00 . A A . 17 ILE HD13 1 1 3 1102 1 1 17 ILE HG12 H -7.159 5.397 -0.837 1.00 . A A . 17 ILE HG12 1 1 3 1103 1 1 17 ILE HG13 H -7.688 5.643 0.818 1.00 . A A . 17 ILE HG13 1 1 3 1104 1 1 17 ILE HG21 H -4.223 6.168 -0.446 1.00 . A A . 17 ILE HG21 1 1 3 1105 1 1 17 ILE HG22 H -4.698 4.675 -1.262 1.00 . A A . 17 ILE HG22 1 1 3 1106 1 1 17 ILE HG23 H -3.608 4.617 0.126 1.00 . A A . 17 ILE HG23 1 1 3 1107 1 1 17 ILE N N -4.951 2.663 1.352 1.00 . A A . 17 ILE N 1 1 3 1108 1 1 17 ILE O O -7.957 2.638 -0.302 1.00 . A A . 17 ILE O 1 1 3 1109 1 1 18 PHE C C -6.911 0.547 -2.546 1.00 . A A . 18 PHE C 1 1 3 1110 1 1 18 PHE CA C -6.573 2.029 -2.615 1.00 . A A . 18 PHE CA 1 1 3 1111 1 1 18 PHE CB C -5.674 2.345 -3.802 1.00 . A A . 18 PHE CB 1 1 3 1112 1 1 18 PHE CD1 C -6.524 4.677 -4.077 1.00 . A A . 18 PHE CD1 1 1 3 1113 1 1 18 PHE CD2 C -4.169 4.329 -4.033 1.00 . A A . 18 PHE CD2 1 1 3 1114 1 1 18 PHE CE1 C -6.328 6.031 -4.237 1.00 . A A . 18 PHE CE1 1 1 3 1115 1 1 18 PHE CE2 C -3.963 5.682 -4.193 1.00 . A A . 18 PHE CE2 1 1 3 1116 1 1 18 PHE CG C -5.448 3.814 -3.972 1.00 . A A . 18 PHE CG 1 1 3 1117 1 1 18 PHE CZ C -5.044 6.535 -4.295 1.00 . A A . 18 PHE CZ 1 1 3 1118 1 1 18 PHE H H -5.032 2.659 -1.328 1.00 . A A . 18 PHE H 1 1 3 1119 1 1 18 PHE HA H -7.505 2.557 -2.762 1.00 . A A . 18 PHE HA 1 1 3 1120 1 1 18 PHE HB2 H -4.715 1.872 -3.651 1.00 . A A . 18 PHE HB2 1 1 3 1121 1 1 18 PHE HB3 H -6.117 1.964 -4.710 1.00 . A A . 18 PHE HB3 1 1 3 1122 1 1 18 PHE HD1 H -7.524 4.271 -4.022 1.00 . A A . 18 PHE HD1 1 1 3 1123 1 1 18 PHE HD2 H -3.325 3.660 -3.951 1.00 . A A . 18 PHE HD2 1 1 3 1124 1 1 18 PHE HE1 H -7.174 6.699 -4.318 1.00 . A A . 18 PHE HE1 1 1 3 1125 1 1 18 PHE HE2 H -2.959 6.074 -4.238 1.00 . A A . 18 PHE HE2 1 1 3 1126 1 1 18 PHE HZ H -4.885 7.596 -4.418 1.00 . A A . 18 PHE HZ 1 1 3 1127 1 1 18 PHE N N -6.009 2.554 -1.382 1.00 . A A . 18 PHE N 1 1 3 1128 1 1 18 PHE O O -8.041 0.150 -2.816 1.00 . A A . 18 PHE O 1 1 3 1129 1 1 19 GLY C C -7.106 -2.120 -1.142 1.00 . A A . 19 GLY C 1 1 3 1130 1 1 19 GLY CA C -6.081 -1.693 -2.143 1.00 . A A . 19 GLY CA 1 1 3 1131 1 1 19 GLY H H -5.053 0.143 -1.982 1.00 . A A . 19 GLY H 1 1 3 1132 1 1 19 GLY HA2 H -6.364 -2.067 -3.114 1.00 . A A . 19 GLY HA2 1 1 3 1133 1 1 19 GLY HA3 H -5.135 -2.125 -1.848 1.00 . A A . 19 GLY HA3 1 1 3 1134 1 1 19 GLY N N -5.923 -0.252 -2.195 1.00 . A A . 19 GLY N 1 1 3 1135 1 1 19 GLY O O -8.044 -2.863 -1.464 1.00 . A A . 19 GLY O 1 1 3 1136 1 1 20 LEU C C -9.279 -1.512 0.835 1.00 . A A . 20 LEU C 1 1 3 1137 1 1 20 LEU CA C -7.853 -1.958 1.154 1.00 . A A . 20 LEU CA 1 1 3 1138 1 1 20 LEU CB C -7.402 -1.334 2.443 1.00 . A A . 20 LEU CB 1 1 3 1139 1 1 20 LEU CD1 C -6.650 -3.288 3.728 1.00 . A A . 20 LEU CD1 1 1 3 1140 1 1 20 LEU CD2 C -7.593 -1.294 4.923 1.00 . A A . 20 LEU CD2 1 1 3 1141 1 1 20 LEU CG C -7.651 -2.153 3.674 1.00 . A A . 20 LEU CG 1 1 3 1142 1 1 20 LEU H H -6.148 -1.082 0.255 1.00 . A A . 20 LEU H 1 1 3 1143 1 1 20 LEU HA H -7.852 -3.031 1.267 1.00 . A A . 20 LEU HA 1 1 3 1144 1 1 20 LEU HB2 H -6.342 -1.143 2.369 1.00 . A A . 20 LEU HB2 1 1 3 1145 1 1 20 LEU HB3 H -7.915 -0.390 2.556 1.00 . A A . 20 LEU HB3 1 1 3 1146 1 1 20 LEU HD11 H -6.836 -3.910 4.590 1.00 . A A . 20 LEU HD11 1 1 3 1147 1 1 20 LEU HD12 H -5.663 -2.850 3.795 1.00 . A A . 20 LEU HD12 1 1 3 1148 1 1 20 LEU HD13 H -6.705 -3.871 2.820 1.00 . A A . 20 LEU HD13 1 1 3 1149 1 1 20 LEU HD21 H -6.619 -0.837 5.009 1.00 . A A . 20 LEU HD21 1 1 3 1150 1 1 20 LEU HD22 H -7.774 -1.916 5.786 1.00 . A A . 20 LEU HD22 1 1 3 1151 1 1 20 LEU HD23 H -8.350 -0.526 4.866 1.00 . A A . 20 LEU HD23 1 1 3 1152 1 1 20 LEU HG H -8.640 -2.576 3.586 1.00 . A A . 20 LEU HG 1 1 3 1153 1 1 20 LEU N N -6.948 -1.636 0.075 1.00 . A A . 20 LEU N 1 1 3 1154 1 1 20 LEU O O -10.235 -2.127 1.295 1.00 . A A . 20 LEU O 1 1 3 1155 1 1 21 ALA C C -11.553 -1.029 -1.078 1.00 . A A . 21 ALA C 1 1 3 1156 1 1 21 ALA CA C -10.725 0.061 -0.399 1.00 . A A . 21 ALA CA 1 1 3 1157 1 1 21 ALA CB C -10.590 1.264 -1.313 1.00 . A A . 21 ALA CB 1 1 3 1158 1 1 21 ALA H H -8.635 0.081 -0.251 1.00 . A A . 21 ALA H 1 1 3 1159 1 1 21 ALA HA H -11.260 0.372 0.487 1.00 . A A . 21 ALA HA 1 1 3 1160 1 1 21 ALA HB1 H -10.099 0.962 -2.227 1.00 . A A . 21 ALA HB1 1 1 3 1161 1 1 21 ALA HB2 H -10.000 2.024 -0.819 1.00 . A A . 21 ALA HB2 1 1 3 1162 1 1 21 ALA HB3 H -11.570 1.657 -1.540 1.00 . A A . 21 ALA HB3 1 1 3 1163 1 1 21 ALA N N -9.422 -0.430 0.041 1.00 . A A . 21 ALA N 1 1 3 1164 1 1 21 ALA O O -12.758 -0.961 -1.078 1.00 . A A . 21 ALA O 1 1 3 1165 1 1 22 ALA C C -12.404 -3.924 -1.248 1.00 . A A . 22 ALA C 1 1 3 1166 1 1 22 ALA CA C -11.634 -3.117 -2.282 1.00 . A A . 22 ALA CA 1 1 3 1167 1 1 22 ALA CB C -10.701 -4.023 -3.061 1.00 . A A . 22 ALA CB 1 1 3 1168 1 1 22 ALA H H -9.926 -2.058 -1.615 1.00 . A A . 22 ALA H 1 1 3 1169 1 1 22 ALA HA H -12.344 -2.677 -2.966 1.00 . A A . 22 ALA HA 1 1 3 1170 1 1 22 ALA HB1 H -11.295 -4.778 -3.553 1.00 . A A . 22 ALA HB1 1 1 3 1171 1 1 22 ALA HB2 H -10.017 -4.500 -2.375 1.00 . A A . 22 ALA HB2 1 1 3 1172 1 1 22 ALA HB3 H -10.155 -3.453 -3.798 1.00 . A A . 22 ALA HB3 1 1 3 1173 1 1 22 ALA N N -10.908 -2.030 -1.645 1.00 . A A . 22 ALA N 1 1 3 1174 1 1 22 ALA O O -13.489 -4.398 -1.507 1.00 . A A . 22 ALA O 1 1 3 1175 1 1 23 TRP C C -13.301 -3.924 1.858 1.00 . A A . 23 TRP C 1 1 3 1176 1 1 23 TRP CA C -12.463 -4.820 0.961 1.00 . A A . 23 TRP CA 1 1 3 1177 1 1 23 TRP CB C -11.439 -5.604 1.753 1.00 . A A . 23 TRP CB 1 1 3 1178 1 1 23 TRP CD1 C -11.991 -7.773 2.996 1.00 . A A . 23 TRP CD1 1 1 3 1179 1 1 23 TRP CD2 C -12.106 -7.915 0.769 1.00 . A A . 23 TRP CD2 1 1 3 1180 1 1 23 TRP CE2 C -12.435 -9.169 1.306 1.00 . A A . 23 TRP CE2 1 1 3 1181 1 1 23 TRP CE3 C -12.115 -7.748 -0.620 1.00 . A A . 23 TRP CE3 1 1 3 1182 1 1 23 TRP CG C -11.814 -7.043 1.864 1.00 . A A . 23 TRP CG 1 1 3 1183 1 1 23 TRP CH2 C -12.774 -10.055 -0.860 1.00 . A A . 23 TRP CH2 1 1 3 1184 1 1 23 TRP CZ2 C -12.771 -10.256 0.498 1.00 . A A . 23 TRP CZ2 1 1 3 1185 1 1 23 TRP CZ3 C -12.448 -8.813 -1.415 1.00 . A A . 23 TRP CZ3 1 1 3 1186 1 1 23 TRP H H -10.949 -3.663 0.073 1.00 . A A . 23 TRP H 1 1 3 1187 1 1 23 TRP HA H -13.129 -5.523 0.482 1.00 . A A . 23 TRP HA 1 1 3 1188 1 1 23 TRP HB2 H -10.478 -5.526 1.262 1.00 . A A . 23 TRP HB2 1 1 3 1189 1 1 23 TRP HB3 H -11.365 -5.176 2.741 1.00 . A A . 23 TRP HB3 1 1 3 1190 1 1 23 TRP HD1 H -11.847 -7.385 3.992 1.00 . A A . 23 TRP HD1 1 1 3 1191 1 1 23 TRP HE1 H -12.523 -9.772 3.329 1.00 . A A . 23 TRP HE1 1 1 3 1192 1 1 23 TRP HE3 H -11.869 -6.796 -1.066 1.00 . A A . 23 TRP HE3 1 1 3 1193 1 1 23 TRP HH2 H -13.031 -10.862 -1.529 1.00 . A A . 23 TRP HH2 1 1 3 1194 1 1 23 TRP HZ2 H -13.027 -11.223 0.906 1.00 . A A . 23 TRP HZ2 1 1 3 1195 1 1 23 TRP HZ3 H -12.461 -8.670 -2.486 1.00 . A A . 23 TRP HZ3 1 1 3 1196 1 1 23 TRP N N -11.823 -4.077 -0.089 1.00 . A A . 23 TRP N 1 1 3 1197 1 1 23 TRP NE1 N -12.349 -9.060 2.673 1.00 . A A . 23 TRP NE1 1 1 3 1198 1 1 23 TRP O O -14.311 -4.334 2.392 1.00 . A A . 23 TRP O 1 1 3 1199 1 1 24 ALA C C -14.696 -1.112 2.166 1.00 . A A . 24 ALA C 1 1 3 1200 1 1 24 ALA CA C -13.512 -1.762 2.889 1.00 . A A . 24 ALA CA 1 1 3 1201 1 1 24 ALA CB C -12.535 -0.702 3.368 1.00 . A A . 24 ALA CB 1 1 3 1202 1 1 24 ALA H H -11.949 -2.503 1.678 1.00 . A A . 24 ALA H 1 1 3 1203 1 1 24 ALA HA H -13.874 -2.286 3.759 1.00 . A A . 24 ALA HA 1 1 3 1204 1 1 24 ALA HB1 H -11.706 -1.179 3.869 1.00 . A A . 24 ALA HB1 1 1 3 1205 1 1 24 ALA HB2 H -13.033 -0.033 4.054 1.00 . A A . 24 ALA HB2 1 1 3 1206 1 1 24 ALA HB3 H -12.171 -0.144 2.519 1.00 . A A . 24 ALA HB3 1 1 3 1207 1 1 24 ALA N N -12.820 -2.728 2.071 1.00 . A A . 24 ALA N 1 1 3 1208 1 1 24 ALA O O -15.818 -1.180 2.613 1.00 . A A . 24 ALA O 1 1 3 1209 1 1 25 LEU C C -16.202 -0.504 -0.652 1.00 . A A . 25 LEU C 1 1 3 1210 1 1 25 LEU CA C -15.360 0.344 0.315 1.00 . A A . 25 LEU CA 1 1 3 1211 1 1 25 LEU CB C -14.608 1.428 -0.465 1.00 . A A . 25 LEU CB 1 1 3 1212 1 1 25 LEU CD1 C -16.276 3.308 -0.178 1.00 . A A . 25 LEU CD1 1 1 3 1213 1 1 25 LEU CD2 C -14.570 3.415 -2.012 1.00 . A A . 25 LEU CD2 1 1 3 1214 1 1 25 LEU CG C -15.457 2.497 -1.178 1.00 . A A . 25 LEU CG 1 1 3 1215 1 1 25 LEU H H -13.481 -0.504 0.729 1.00 . A A . 25 LEU H 1 1 3 1216 1 1 25 LEU HA H -16.010 0.837 1.022 1.00 . A A . 25 LEU HA 1 1 3 1217 1 1 25 LEU HB2 H -13.883 1.883 0.193 1.00 . A A . 25 LEU HB2 1 1 3 1218 1 1 25 LEU HB3 H -14.035 0.911 -1.221 1.00 . A A . 25 LEU HB3 1 1 3 1219 1 1 25 LEU HD11 H -15.616 3.783 0.533 1.00 . A A . 25 LEU HD11 1 1 3 1220 1 1 25 LEU HD12 H -16.969 2.661 0.339 1.00 . A A . 25 LEU HD12 1 1 3 1221 1 1 25 LEU HD13 H -16.831 4.067 -0.709 1.00 . A A . 25 LEU HD13 1 1 3 1222 1 1 25 LEU HD21 H -13.855 3.903 -1.366 1.00 . A A . 25 LEU HD21 1 1 3 1223 1 1 25 LEU HD22 H -15.176 4.162 -2.504 1.00 . A A . 25 LEU HD22 1 1 3 1224 1 1 25 LEU HD23 H -14.043 2.840 -2.758 1.00 . A A . 25 LEU HD23 1 1 3 1225 1 1 25 LEU HG H -16.150 2.003 -1.843 1.00 . A A . 25 LEU HG 1 1 3 1226 1 1 25 LEU N N -14.395 -0.444 1.076 1.00 . A A . 25 LEU N 1 1 3 1227 1 1 25 LEU O O -17.411 -0.329 -0.756 1.00 . A A . 25 LEU O 1 1 3 1228 1 1 26 LEU C C -16.914 -3.374 -1.949 1.00 . A A . 26 LEU C 1 1 3 1229 1 1 26 LEU CA C -16.144 -2.161 -2.453 1.00 . A A . 26 LEU CA 1 1 3 1230 1 1 26 LEU CB C -15.051 -2.582 -3.444 1.00 . A A . 26 LEU CB 1 1 3 1231 1 1 26 LEU CD1 C -16.286 -2.679 -5.636 1.00 . A A . 26 LEU CD1 1 1 3 1232 1 1 26 LEU CD2 C -14.253 -4.121 -5.247 1.00 . A A . 26 LEU CD2 1 1 3 1233 1 1 26 LEU CG C -15.464 -3.458 -4.617 1.00 . A A . 26 LEU CG 1 1 3 1234 1 1 26 LEU H H -14.583 -1.539 -1.189 1.00 . A A . 26 LEU H 1 1 3 1235 1 1 26 LEU HA H -16.834 -1.514 -2.963 1.00 . A A . 26 LEU HA 1 1 3 1236 1 1 26 LEU HB2 H -14.608 -1.682 -3.844 1.00 . A A . 26 LEU HB2 1 1 3 1237 1 1 26 LEU HB3 H -14.293 -3.110 -2.884 1.00 . A A . 26 LEU HB3 1 1 3 1238 1 1 26 LEU HD11 H -16.557 -3.334 -6.452 1.00 . A A . 26 LEU HD11 1 1 3 1239 1 1 26 LEU HD12 H -15.707 -1.846 -6.010 1.00 . A A . 26 LEU HD12 1 1 3 1240 1 1 26 LEU HD13 H -17.181 -2.307 -5.160 1.00 . A A . 26 LEU HD13 1 1 3 1241 1 1 26 LEU HD21 H -14.566 -4.744 -6.071 1.00 . A A . 26 LEU HD21 1 1 3 1242 1 1 26 LEU HD22 H -13.761 -4.744 -4.512 1.00 . A A . 26 LEU HD22 1 1 3 1243 1 1 26 LEU HD23 H -13.567 -3.366 -5.602 1.00 . A A . 26 LEU HD23 1 1 3 1244 1 1 26 LEU HG H -16.099 -4.232 -4.214 1.00 . A A . 26 LEU HG 1 1 3 1245 1 1 26 LEU N N -15.534 -1.387 -1.374 1.00 . A A . 26 LEU N 1 1 3 1246 1 1 26 LEU O O -17.746 -3.939 -2.663 1.00 . A A . 26 LEU O 1 1 3 1247 1 1 27 ALA C C -18.387 -4.520 0.804 1.00 . A A . 27 ALA C 1 1 3 1248 1 1 27 ALA CA C -17.312 -4.924 -0.197 1.00 . A A . 27 ALA CA 1 1 3 1249 1 1 27 ALA CB C -16.301 -5.888 0.412 1.00 . A A . 27 ALA CB 1 1 3 1250 1 1 27 ALA H H -15.998 -3.238 -0.250 1.00 . A A . 27 ALA H 1 1 3 1251 1 1 27 ALA HA H -17.805 -5.424 -1.018 1.00 . A A . 27 ALA HA 1 1 3 1252 1 1 27 ALA HB1 H -15.819 -5.419 1.257 1.00 . A A . 27 ALA HB1 1 1 3 1253 1 1 27 ALA HB2 H -15.551 -6.145 -0.321 1.00 . A A . 27 ALA HB2 1 1 3 1254 1 1 27 ALA HB3 H -16.805 -6.785 0.738 1.00 . A A . 27 ALA HB3 1 1 3 1255 1 1 27 ALA N N -16.647 -3.763 -0.760 1.00 . A A . 27 ALA N 1 1 3 1256 1 1 27 ALA O O -19.548 -4.343 0.388 1.00 . A A . 27 ALA O 1 1 3 1257 1 1 27 ALA OXT O -18.077 -4.383 1.992 1.00 . A A . 27 ALA OXT 1 1 4 1258 1 1 1 ARG C C 14.021 -7.842 -2.738 1.00 . A A . 1 ARG C 1 1 4 1259 1 1 1 ARG CA C 14.244 -9.323 -2.728 1.00 . A A . 1 ARG CA 1 1 4 1260 1 1 1 ARG CB C 15.748 -9.578 -2.943 1.00 . A A . 1 ARG CB 1 1 4 1261 1 1 1 ARG CD C 15.884 -11.656 -1.541 1.00 . A A . 1 ARG CD 1 1 4 1262 1 1 1 ARG CG C 16.187 -11.026 -2.884 1.00 . A A . 1 ARG CG 1 1 4 1263 1 1 1 ARG CZ C 15.820 -13.998 -0.705 1.00 . A A . 1 ARG CZ 1 1 4 1264 1 1 1 ARG H1 H 13.597 -10.964 -3.852 1.00 . A A . 1 ARG H1 1 1 4 1265 1 1 1 ARG H2 H 13.617 -9.486 -4.695 1.00 . A A . 1 ARG H2 1 1 4 1266 1 1 1 ARG H3 H 12.429 -9.792 -3.571 1.00 . A A . 1 ARG H3 1 1 4 1267 1 1 1 ARG HA H 13.952 -9.714 -1.764 1.00 . A A . 1 ARG HA 1 1 4 1268 1 1 1 ARG HB2 H 16.023 -9.195 -3.914 1.00 . A A . 1 ARG HB2 1 1 4 1269 1 1 1 ARG HB3 H 16.295 -9.025 -2.194 1.00 . A A . 1 ARG HB3 1 1 4 1270 1 1 1 ARG HD2 H 16.389 -11.088 -0.775 1.00 . A A . 1 ARG HD2 1 1 4 1271 1 1 1 ARG HD3 H 14.818 -11.617 -1.376 1.00 . A A . 1 ARG HD3 1 1 4 1272 1 1 1 ARG HE H 17.059 -13.281 -2.115 1.00 . A A . 1 ARG HE 1 1 4 1273 1 1 1 ARG HG2 H 15.688 -11.581 -3.661 1.00 . A A . 1 ARG HG2 1 1 4 1274 1 1 1 ARG HG3 H 17.253 -11.069 -3.055 1.00 . A A . 1 ARG HG3 1 1 4 1275 1 1 1 ARG HH11 H 14.582 -12.769 0.365 1.00 . A A . 1 ARG HH11 1 1 4 1276 1 1 1 ARG HH12 H 14.475 -14.404 0.779 1.00 . A A . 1 ARG HH12 1 1 4 1277 1 1 1 ARG HH21 H 16.939 -15.485 -1.509 1.00 . A A . 1 ARG HH21 1 1 4 1278 1 1 1 ARG HH22 H 15.890 -15.995 -0.268 1.00 . A A . 1 ARG HH22 1 1 4 1279 1 1 1 ARG N N 13.438 -9.942 -3.779 1.00 . A A . 1 ARG N 1 1 4 1280 1 1 1 ARG NE N 16.329 -13.049 -1.489 1.00 . A A . 1 ARG NE 1 1 4 1281 1 1 1 ARG NH1 N 14.912 -13.703 0.206 1.00 . A A . 1 ARG NH1 1 1 4 1282 1 1 1 ARG NH2 N 16.237 -15.238 -0.830 1.00 . A A . 1 ARG NH2 1 1 4 1283 1 1 1 ARG O O 13.305 -7.329 -3.604 1.00 . A A . 1 ARG O 1 1 4 1284 1 1 2 ASN C C 13.406 -5.062 -1.223 1.00 . A A . 2 ASN C 1 1 4 1285 1 1 2 ASN CA C 14.693 -5.728 -1.648 1.00 . A A . 2 ASN CA 1 1 4 1286 1 1 2 ASN CB C 15.269 -5.052 -2.907 1.00 . A A . 2 ASN CB 1 1 4 1287 1 1 2 ASN CG C 16.712 -5.420 -3.156 1.00 . A A . 2 ASN CG 1 1 4 1288 1 1 2 ASN H H 15.032 -7.714 -1.046 1.00 . A A . 2 ASN H 1 1 4 1289 1 1 2 ASN HA H 15.404 -5.560 -0.852 1.00 . A A . 2 ASN HA 1 1 4 1290 1 1 2 ASN HB2 H 14.696 -5.354 -3.770 1.00 . A A . 2 ASN HB2 1 1 4 1291 1 1 2 ASN HB3 H 15.203 -3.979 -2.799 1.00 . A A . 2 ASN HB3 1 1 4 1292 1 1 2 ASN HD21 H 17.274 -3.932 -2.022 1.00 . A A . 2 ASN HD21 1 1 4 1293 1 1 2 ASN HD22 H 18.563 -4.857 -2.698 1.00 . A A . 2 ASN HD22 1 1 4 1294 1 1 2 ASN N N 14.625 -7.181 -1.762 1.00 . A A . 2 ASN N 1 1 4 1295 1 1 2 ASN ND2 N 17.607 -4.672 -2.575 1.00 . A A . 2 ASN ND2 1 1 4 1296 1 1 2 ASN O O 12.310 -5.608 -1.348 1.00 . A A . 2 ASN O 1 1 4 1297 1 1 2 ASN OD1 O 17.009 -6.382 -3.855 1.00 . A A . 2 ASN OD1 1 1 4 1298 1 1 3 LYS C C 12.966 -1.619 -0.367 1.00 . A A . 3 LYS C 1 1 4 1299 1 1 3 LYS CA C 12.490 -3.047 -0.264 1.00 . A A . 3 LYS CA 1 1 4 1300 1 1 3 LYS CB C 12.079 -3.337 1.178 1.00 . A A . 3 LYS CB 1 1 4 1301 1 1 3 LYS CD C 12.750 -2.923 3.562 1.00 . A A . 3 LYS CD 1 1 4 1302 1 1 3 LYS CE C 12.097 -1.548 3.698 1.00 . A A . 3 LYS CE 1 1 4 1303 1 1 3 LYS CG C 13.215 -3.155 2.137 1.00 . A A . 3 LYS CG 1 1 4 1304 1 1 3 LYS H H 14.475 -3.526 -0.591 1.00 . A A . 3 LYS H 1 1 4 1305 1 1 3 LYS HA H 11.644 -3.182 -0.914 1.00 . A A . 3 LYS HA 1 1 4 1306 1 1 3 LYS HB2 H 11.269 -2.680 1.452 1.00 . A A . 3 LYS HB2 1 1 4 1307 1 1 3 LYS HB3 H 11.739 -4.360 1.239 1.00 . A A . 3 LYS HB3 1 1 4 1308 1 1 3 LYS HD2 H 12.033 -3.687 3.823 1.00 . A A . 3 LYS HD2 1 1 4 1309 1 1 3 LYS HD3 H 13.602 -2.982 4.223 1.00 . A A . 3 LYS HD3 1 1 4 1310 1 1 3 LYS HE2 H 12.809 -0.796 3.392 1.00 . A A . 3 LYS HE2 1 1 4 1311 1 1 3 LYS HE3 H 11.241 -1.492 3.044 1.00 . A A . 3 LYS HE3 1 1 4 1312 1 1 3 LYS HG2 H 13.842 -4.031 2.080 1.00 . A A . 3 LYS HG2 1 1 4 1313 1 1 3 LYS HG3 H 13.741 -2.288 1.764 1.00 . A A . 3 LYS HG3 1 1 4 1314 1 1 3 LYS HZ1 H 11.265 -0.291 5.121 1.00 . A A . 3 LYS HZ1 1 1 4 1315 1 1 3 LYS HZ2 H 12.452 -1.277 5.752 1.00 . A A . 3 LYS HZ2 1 1 4 1316 1 1 3 LYS HZ3 H 10.923 -1.901 5.385 1.00 . A A . 3 LYS HZ3 1 1 4 1317 1 1 3 LYS N N 13.566 -3.887 -0.693 1.00 . A A . 3 LYS N 1 1 4 1318 1 1 3 LYS NZ N 11.668 -1.250 5.070 1.00 . A A . 3 LYS NZ 1 1 4 1319 1 1 3 LYS O O 14.114 -1.381 -0.703 1.00 . A A . 3 LYS O 1 1 4 1320 1 1 4 LEU C C 11.285 1.402 0.567 1.00 . A A . 4 LEU C 1 1 4 1321 1 1 4 LEU CA C 12.430 0.709 -0.097 1.00 . A A . 4 LEU CA 1 1 4 1322 1 1 4 LEU CB C 12.535 1.156 -1.571 1.00 . A A . 4 LEU CB 1 1 4 1323 1 1 4 LEU CD1 C 14.593 2.595 -1.487 1.00 . A A . 4 LEU CD1 1 1 4 1324 1 1 4 LEU CD2 C 12.926 2.923 -3.305 1.00 . A A . 4 LEU CD2 1 1 4 1325 1 1 4 LEU CG C 13.120 2.548 -1.849 1.00 . A A . 4 LEU CG 1 1 4 1326 1 1 4 LEU H H 11.226 -0.928 0.285 1.00 . A A . 4 LEU H 1 1 4 1327 1 1 4 LEU HA H 13.350 0.920 0.425 1.00 . A A . 4 LEU HA 1 1 4 1328 1 1 4 LEU HB2 H 13.167 0.429 -2.057 1.00 . A A . 4 LEU HB2 1 1 4 1329 1 1 4 LEU HB3 H 11.549 1.098 -2.008 1.00 . A A . 4 LEU HB3 1 1 4 1330 1 1 4 LEU HD11 H 14.722 2.368 -0.440 1.00 . A A . 4 LEU HD11 1 1 4 1331 1 1 4 LEU HD12 H 14.976 3.583 -1.698 1.00 . A A . 4 LEU HD12 1 1 4 1332 1 1 4 LEU HD13 H 15.133 1.873 -2.081 1.00 . A A . 4 LEU HD13 1 1 4 1333 1 1 4 LEU HD21 H 11.872 2.924 -3.535 1.00 . A A . 4 LEU HD21 1 1 4 1334 1 1 4 LEU HD22 H 13.433 2.208 -3.936 1.00 . A A . 4 LEU HD22 1 1 4 1335 1 1 4 LEU HD23 H 13.333 3.908 -3.483 1.00 . A A . 4 LEU HD23 1 1 4 1336 1 1 4 LEU HG H 12.603 3.278 -1.242 1.00 . A A . 4 LEU HG 1 1 4 1337 1 1 4 LEU N N 12.119 -0.694 -0.039 1.00 . A A . 4 LEU N 1 1 4 1338 1 1 4 LEU O O 10.242 0.763 0.792 1.00 . A A . 4 LEU O 1 1 4 1339 1 1 5 ALA C C 9.204 3.565 0.530 1.00 . A A . 5 ALA C 1 1 4 1340 1 1 5 ALA CA C 10.392 3.451 1.481 1.00 . A A . 5 ALA CA 1 1 4 1341 1 1 5 ALA CB C 10.928 4.813 1.840 1.00 . A A . 5 ALA CB 1 1 4 1342 1 1 5 ALA H H 12.339 3.060 0.785 1.00 . A A . 5 ALA H 1 1 4 1343 1 1 5 ALA HA H 10.066 2.955 2.381 1.00 . A A . 5 ALA HA 1 1 4 1344 1 1 5 ALA HB1 H 11.775 4.704 2.501 1.00 . A A . 5 ALA HB1 1 1 4 1345 1 1 5 ALA HB2 H 10.159 5.397 2.322 1.00 . A A . 5 ALA HB2 1 1 4 1346 1 1 5 ALA HB3 H 11.249 5.299 0.931 1.00 . A A . 5 ALA HB3 1 1 4 1347 1 1 5 ALA N N 11.450 2.654 0.889 1.00 . A A . 5 ALA N 1 1 4 1348 1 1 5 ALA O O 8.048 3.554 0.937 1.00 . A A . 5 ALA O 1 1 4 1349 1 1 6 TYR C C 7.861 2.335 -2.006 1.00 . A A . 6 TYR C 1 1 4 1350 1 1 6 TYR CA C 8.466 3.697 -1.755 1.00 . A A . 6 TYR CA 1 1 4 1351 1 1 6 TYR CB C 8.996 4.292 -3.048 1.00 . A A . 6 TYR CB 1 1 4 1352 1 1 6 TYR CD1 C 10.679 6.086 -2.539 1.00 . A A . 6 TYR CD1 1 1 4 1353 1 1 6 TYR CD2 C 8.487 6.739 -3.183 1.00 . A A . 6 TYR CD2 1 1 4 1354 1 1 6 TYR CE1 C 11.039 7.405 -2.421 1.00 . A A . 6 TYR CE1 1 1 4 1355 1 1 6 TYR CE2 C 8.837 8.060 -3.069 1.00 . A A . 6 TYR CE2 1 1 4 1356 1 1 6 TYR CG C 9.398 5.732 -2.923 1.00 . A A . 6 TYR CG 1 1 4 1357 1 1 6 TYR CZ C 10.119 8.388 -2.685 1.00 . A A . 6 TYR CZ 1 1 4 1358 1 1 6 TYR H H 10.453 3.628 -0.969 1.00 . A A . 6 TYR H 1 1 4 1359 1 1 6 TYR HA H 7.700 4.346 -1.363 1.00 . A A . 6 TYR HA 1 1 4 1360 1 1 6 TYR HB2 H 9.861 3.724 -3.348 1.00 . A A . 6 TYR HB2 1 1 4 1361 1 1 6 TYR HB3 H 8.240 4.216 -3.816 1.00 . A A . 6 TYR HB3 1 1 4 1362 1 1 6 TYR HD1 H 11.403 5.310 -2.332 1.00 . A A . 6 TYR HD1 1 1 4 1363 1 1 6 TYR HD2 H 7.484 6.473 -3.484 1.00 . A A . 6 TYR HD2 1 1 4 1364 1 1 6 TYR HE1 H 12.043 7.666 -2.123 1.00 . A A . 6 TYR HE1 1 1 4 1365 1 1 6 TYR HE2 H 8.099 8.820 -3.280 1.00 . A A . 6 TYR HE2 1 1 4 1366 1 1 6 TYR HH H 11.358 9.782 -2.977 1.00 . A A . 6 TYR HH 1 1 4 1367 1 1 6 TYR N N 9.502 3.626 -0.738 1.00 . A A . 6 TYR N 1 1 4 1368 1 1 6 TYR O O 6.728 2.216 -2.435 1.00 . A A . 6 TYR O 1 1 4 1369 1 1 6 TYR OH O 10.487 9.700 -2.565 1.00 . A A . 6 TYR OH 1 1 4 1370 1 1 7 ASN C C 7.230 -0.421 -0.790 1.00 . A A . 7 ASN C 1 1 4 1371 1 1 7 ASN CA C 8.177 -0.043 -1.908 1.00 . A A . 7 ASN CA 1 1 4 1372 1 1 7 ASN CB C 9.378 -1.001 -1.934 1.00 . A A . 7 ASN CB 1 1 4 1373 1 1 7 ASN CG C 8.997 -2.462 -2.112 1.00 . A A . 7 ASN CG 1 1 4 1374 1 1 7 ASN H H 9.501 1.503 -1.334 1.00 . A A . 7 ASN H 1 1 4 1375 1 1 7 ASN HA H 7.655 -0.109 -2.849 1.00 . A A . 7 ASN HA 1 1 4 1376 1 1 7 ASN HB2 H 10.026 -0.722 -2.750 1.00 . A A . 7 ASN HB2 1 1 4 1377 1 1 7 ASN HB3 H 9.924 -0.899 -1.006 1.00 . A A . 7 ASN HB3 1 1 4 1378 1 1 7 ASN HD21 H 9.301 -2.316 -4.047 1.00 . A A . 7 ASN HD21 1 1 4 1379 1 1 7 ASN HD22 H 8.775 -3.863 -3.489 1.00 . A A . 7 ASN HD22 1 1 4 1380 1 1 7 ASN N N 8.626 1.318 -1.726 1.00 . A A . 7 ASN N 1 1 4 1381 1 1 7 ASN ND2 N 9.026 -2.927 -3.327 1.00 . A A . 7 ASN ND2 1 1 4 1382 1 1 7 ASN O O 6.087 -0.733 -1.015 1.00 . A A . 7 ASN O 1 1 4 1383 1 1 7 ASN OD1 O 8.743 -3.171 -1.143 1.00 . A A . 7 ASN OD1 1 1 4 1384 1 1 8 MET C C 5.995 0.342 2.046 1.00 . A A . 8 MET C 1 1 4 1385 1 1 8 MET CA C 6.946 -0.746 1.564 1.00 . A A . 8 MET CA 1 1 4 1386 1 1 8 MET CB C 7.783 -1.335 2.682 1.00 . A A . 8 MET CB 1 1 4 1387 1 1 8 MET CE C 5.956 -3.868 1.187 1.00 . A A . 8 MET CE 1 1 4 1388 1 1 8 MET CG C 8.323 -2.749 2.426 1.00 . A A . 8 MET CG 1 1 4 1389 1 1 8 MET H H 8.671 -0.108 0.526 1.00 . A A . 8 MET H 1 1 4 1390 1 1 8 MET HA H 6.315 -1.529 1.185 1.00 . A A . 8 MET HA 1 1 4 1391 1 1 8 MET HB2 H 8.637 -0.690 2.819 1.00 . A A . 8 MET HB2 1 1 4 1392 1 1 8 MET HB3 H 7.196 -1.351 3.587 1.00 . A A . 8 MET HB3 1 1 4 1393 1 1 8 MET HE1 H 5.273 -3.057 1.386 1.00 . A A . 8 MET HE1 1 1 4 1394 1 1 8 MET HE2 H 5.383 -4.771 1.040 1.00 . A A . 8 MET HE2 1 1 4 1395 1 1 8 MET HE3 H 6.521 -3.654 0.291 1.00 . A A . 8 MET HE3 1 1 4 1396 1 1 8 MET HG2 H 8.739 -2.778 1.428 1.00 . A A . 8 MET HG2 1 1 4 1397 1 1 8 MET HG3 H 9.122 -2.925 3.132 1.00 . A A . 8 MET HG3 1 1 4 1398 1 1 8 MET N N 7.737 -0.394 0.413 1.00 . A A . 8 MET N 1 1 4 1399 1 1 8 MET O O 4.789 0.165 2.005 1.00 . A A . 8 MET O 1 1 4 1400 1 1 8 MET SD S 7.096 -4.111 2.569 1.00 . A A . 8 MET SD 1 1 4 1401 1 1 9 GLY C C 4.745 3.167 2.131 1.00 . A A . 9 GLY C 1 1 4 1402 1 1 9 GLY CA C 5.753 2.538 3.060 1.00 . A A . 9 GLY CA 1 1 4 1403 1 1 9 GLY H H 7.508 1.627 2.330 1.00 . A A . 9 GLY H 1 1 4 1404 1 1 9 GLY HA2 H 5.226 2.117 3.902 1.00 . A A . 9 GLY HA2 1 1 4 1405 1 1 9 GLY HA3 H 6.425 3.303 3.415 1.00 . A A . 9 GLY HA3 1 1 4 1406 1 1 9 GLY N N 6.547 1.477 2.445 1.00 . A A . 9 GLY N 1 1 4 1407 1 1 9 GLY O O 3.567 3.345 2.500 1.00 . A A . 9 GLY O 1 1 4 1408 1 1 10 HIS C C 3.180 3.179 -0.440 1.00 . A A . 10 HIS C 1 1 4 1409 1 1 10 HIS CA C 4.315 4.129 -0.049 1.00 . A A . 10 HIS CA 1 1 4 1410 1 1 10 HIS CB C 5.134 4.586 -1.253 1.00 . A A . 10 HIS CB 1 1 4 1411 1 1 10 HIS CD2 C 4.147 5.397 -3.482 1.00 . A A . 10 HIS CD2 1 1 4 1412 1 1 10 HIS CE1 C 3.273 7.241 -2.790 1.00 . A A . 10 HIS CE1 1 1 4 1413 1 1 10 HIS CG C 4.407 5.497 -2.166 1.00 . A A . 10 HIS CG 1 1 4 1414 1 1 10 HIS H H 6.126 3.305 0.706 1.00 . A A . 10 HIS H 1 1 4 1415 1 1 10 HIS HA H 3.828 4.995 0.382 1.00 . A A . 10 HIS HA 1 1 4 1416 1 1 10 HIS HB2 H 5.995 5.128 -0.894 1.00 . A A . 10 HIS HB2 1 1 4 1417 1 1 10 HIS HB3 H 5.456 3.721 -1.814 1.00 . A A . 10 HIS HB3 1 1 4 1418 1 1 10 HIS HD1 H 3.854 7.041 -0.842 1.00 . A A . 10 HIS HD1 1 1 4 1419 1 1 10 HIS HD2 H 4.482 4.602 -4.130 1.00 . A A . 10 HIS HD2 1 1 4 1420 1 1 10 HIS HE1 H 2.744 8.177 -2.727 1.00 . A A . 10 HIS HE1 1 1 4 1421 1 1 10 HIS N N 5.184 3.494 0.929 1.00 . A A . 10 HIS N 1 1 4 1422 1 1 10 HIS ND1 N 3.846 6.673 -1.754 1.00 . A A . 10 HIS ND1 1 1 4 1423 1 1 10 HIS NE2 N 3.421 6.511 -3.878 1.00 . A A . 10 HIS NE2 1 1 4 1424 1 1 10 HIS O O 2.013 3.587 -0.504 1.00 . A A . 10 HIS O 1 1 4 1425 1 1 11 TYR C C 1.592 0.595 0.225 1.00 . A A . 11 TYR C 1 1 4 1426 1 1 11 TYR CA C 2.489 0.909 -0.941 1.00 . A A . 11 TYR CA 1 1 4 1427 1 1 11 TYR CB C 3.068 -0.366 -1.507 1.00 . A A . 11 TYR CB 1 1 4 1428 1 1 11 TYR CD1 C 2.207 -0.726 -3.818 1.00 . A A . 11 TYR CD1 1 1 4 1429 1 1 11 TYR CD2 C 4.442 0.035 -3.576 1.00 . A A . 11 TYR CD2 1 1 4 1430 1 1 11 TYR CE1 C 2.343 -0.736 -5.175 1.00 . A A . 11 TYR CE1 1 1 4 1431 1 1 11 TYR CE2 C 4.590 0.034 -4.948 1.00 . A A . 11 TYR CE2 1 1 4 1432 1 1 11 TYR CG C 3.249 -0.344 -2.993 1.00 . A A . 11 TYR CG 1 1 4 1433 1 1 11 TYR CZ C 3.538 -0.355 -5.744 1.00 . A A . 11 TYR CZ 1 1 4 1434 1 1 11 TYR H H 4.437 1.619 -0.553 1.00 . A A . 11 TYR H 1 1 4 1435 1 1 11 TYR HA H 1.871 1.356 -1.705 1.00 . A A . 11 TYR HA 1 1 4 1436 1 1 11 TYR HB2 H 4.035 -0.530 -1.058 1.00 . A A . 11 TYR HB2 1 1 4 1437 1 1 11 TYR HB3 H 2.414 -1.189 -1.257 1.00 . A A . 11 TYR HB3 1 1 4 1438 1 1 11 TYR HD1 H 1.270 -1.022 -3.371 1.00 . A A . 11 TYR HD1 1 1 4 1439 1 1 11 TYR HD2 H 5.262 0.336 -2.941 1.00 . A A . 11 TYR HD2 1 1 4 1440 1 1 11 TYR HE1 H 1.498 -1.041 -5.773 1.00 . A A . 11 TYR HE1 1 1 4 1441 1 1 11 TYR HE2 H 5.528 0.337 -5.389 1.00 . A A . 11 TYR HE2 1 1 4 1442 1 1 11 TYR HH H 4.501 -0.869 -7.285 1.00 . A A . 11 TYR HH 1 1 4 1443 1 1 11 TYR N N 3.502 1.902 -0.628 1.00 . A A . 11 TYR N 1 1 4 1444 1 1 11 TYR O O 0.425 0.326 0.028 1.00 . A A . 11 TYR O 1 1 4 1445 1 1 11 TYR OH O 3.687 -0.380 -7.110 1.00 . A A . 11 TYR OH 1 1 4 1446 1 1 12 ALA C C 0.202 1.377 2.730 1.00 . A A . 12 ALA C 1 1 4 1447 1 1 12 ALA CA C 1.327 0.371 2.622 1.00 . A A . 12 ALA CA 1 1 4 1448 1 1 12 ALA CB C 2.184 0.397 3.867 1.00 . A A . 12 ALA CB 1 1 4 1449 1 1 12 ALA H H 3.085 0.806 1.541 1.00 . A A . 12 ALA H 1 1 4 1450 1 1 12 ALA HA H 0.899 -0.613 2.515 1.00 . A A . 12 ALA HA 1 1 4 1451 1 1 12 ALA HB1 H 2.603 1.386 3.985 1.00 . A A . 12 ALA HB1 1 1 4 1452 1 1 12 ALA HB2 H 2.986 -0.317 3.757 1.00 . A A . 12 ALA HB2 1 1 4 1453 1 1 12 ALA HB3 H 1.586 0.151 4.731 1.00 . A A . 12 ALA HB3 1 1 4 1454 1 1 12 ALA N N 2.123 0.631 1.435 1.00 . A A . 12 ALA N 1 1 4 1455 1 1 12 ALA O O -0.953 1.012 2.954 1.00 . A A . 12 ALA O 1 1 4 1456 1 1 13 GLY C C -1.405 3.556 1.368 1.00 . A A . 13 GLY C 1 1 4 1457 1 1 13 GLY CA C -0.466 3.674 2.557 1.00 . A A . 13 GLY CA 1 1 4 1458 1 1 13 GLY H H 1.478 2.847 2.349 1.00 . A A . 13 GLY H 1 1 4 1459 1 1 13 GLY HA2 H -1.033 3.577 3.472 1.00 . A A . 13 GLY HA2 1 1 4 1460 1 1 13 GLY HA3 H 0.010 4.641 2.542 1.00 . A A . 13 GLY HA3 1 1 4 1461 1 1 13 GLY N N 0.534 2.636 2.525 1.00 . A A . 13 GLY N 1 1 4 1462 1 1 13 GLY O O -2.622 3.678 1.510 1.00 . A A . 13 GLY O 1 1 4 1463 1 1 14 LYS C C -2.588 1.948 -0.937 1.00 . A A . 14 LYS C 1 1 4 1464 1 1 14 LYS CA C -1.582 3.092 -1.036 1.00 . A A . 14 LYS CA 1 1 4 1465 1 1 14 LYS CB C -0.621 2.848 -2.196 1.00 . A A . 14 LYS CB 1 1 4 1466 1 1 14 LYS CD C -0.266 5.308 -2.677 1.00 . A A . 14 LYS CD 1 1 4 1467 1 1 14 LYS CE C -0.202 6.348 -3.781 1.00 . A A . 14 LYS CE 1 1 4 1468 1 1 14 LYS CG C -0.600 3.941 -3.252 1.00 . A A . 14 LYS CG 1 1 4 1469 1 1 14 LYS H H 0.147 3.185 0.175 1.00 . A A . 14 LYS H 1 1 4 1470 1 1 14 LYS HA H -2.124 4.005 -1.227 1.00 . A A . 14 LYS HA 1 1 4 1471 1 1 14 LYS HB2 H 0.377 2.764 -1.793 1.00 . A A . 14 LYS HB2 1 1 4 1472 1 1 14 LYS HB3 H -0.887 1.916 -2.674 1.00 . A A . 14 LYS HB3 1 1 4 1473 1 1 14 LYS HD2 H -1.026 5.599 -1.966 1.00 . A A . 14 LYS HD2 1 1 4 1474 1 1 14 LYS HD3 H 0.698 5.254 -2.190 1.00 . A A . 14 LYS HD3 1 1 4 1475 1 1 14 LYS HE2 H 0.662 6.123 -4.388 1.00 . A A . 14 LYS HE2 1 1 4 1476 1 1 14 LYS HE3 H -1.103 6.289 -4.371 1.00 . A A . 14 LYS HE3 1 1 4 1477 1 1 14 LYS HG2 H 0.150 3.692 -3.986 1.00 . A A . 14 LYS HG2 1 1 4 1478 1 1 14 LYS HG3 H -1.567 3.977 -3.731 1.00 . A A . 14 LYS HG3 1 1 4 1479 1 1 14 LYS HZ1 H -0.837 7.957 -2.648 1.00 . A A . 14 LYS HZ1 1 1 4 1480 1 1 14 LYS HZ2 H 0.000 8.395 -4.036 1.00 . A A . 14 LYS HZ2 1 1 4 1481 1 1 14 LYS HZ3 H 0.835 7.791 -2.713 1.00 . A A . 14 LYS HZ3 1 1 4 1482 1 1 14 LYS N N -0.832 3.270 0.210 1.00 . A A . 14 LYS N 1 1 4 1483 1 1 14 LYS NZ N -0.041 7.702 -3.261 1.00 . A A . 14 LYS NZ 1 1 4 1484 1 1 14 LYS O O -3.721 2.073 -1.382 1.00 . A A . 14 LYS O 1 1 4 1485 1 1 15 ALA C C -4.124 -0.008 0.870 1.00 . A A . 15 ALA C 1 1 4 1486 1 1 15 ALA CA C -3.043 -0.292 -0.161 1.00 . A A . 15 ALA CA 1 1 4 1487 1 1 15 ALA CB C -2.234 -1.526 0.212 1.00 . A A . 15 ALA CB 1 1 4 1488 1 1 15 ALA H H -1.247 0.823 -0.024 1.00 . A A . 15 ALA H 1 1 4 1489 1 1 15 ALA HA H -3.526 -0.475 -1.110 1.00 . A A . 15 ALA HA 1 1 4 1490 1 1 15 ALA HB1 H -1.487 -1.707 -0.549 1.00 . A A . 15 ALA HB1 1 1 4 1491 1 1 15 ALA HB2 H -2.905 -2.370 0.278 1.00 . A A . 15 ALA HB2 1 1 4 1492 1 1 15 ALA HB3 H -1.751 -1.372 1.167 1.00 . A A . 15 ALA HB3 1 1 4 1493 1 1 15 ALA N N -2.180 0.863 -0.341 1.00 . A A . 15 ALA N 1 1 4 1494 1 1 15 ALA O O -5.195 -0.577 0.825 1.00 . A A . 15 ALA O 1 1 4 1495 1 1 16 THR C C -5.865 2.171 2.149 1.00 . A A . 16 THR C 1 1 4 1496 1 1 16 THR CA C -4.800 1.266 2.781 1.00 . A A . 16 THR CA 1 1 4 1497 1 1 16 THR CB C -4.126 1.970 3.981 1.00 . A A . 16 THR CB 1 1 4 1498 1 1 16 THR CG2 C -5.138 2.225 5.082 1.00 . A A . 16 THR CG2 1 1 4 1499 1 1 16 THR H H -2.957 1.295 1.783 1.00 . A A . 16 THR H 1 1 4 1500 1 1 16 THR HA H -5.280 0.364 3.125 1.00 . A A . 16 THR HA 1 1 4 1501 1 1 16 THR HB H -3.705 2.911 3.658 1.00 . A A . 16 THR HB 1 1 4 1502 1 1 16 THR HG1 H -2.351 1.076 3.880 1.00 . A A . 16 THR HG1 1 1 4 1503 1 1 16 THR HG21 H -5.535 1.279 5.418 1.00 . A A . 16 THR HG21 1 1 4 1504 1 1 16 THR HG22 H -5.941 2.837 4.697 1.00 . A A . 16 THR HG22 1 1 4 1505 1 1 16 THR HG23 H -4.661 2.729 5.908 1.00 . A A . 16 THR HG23 1 1 4 1506 1 1 16 THR N N -3.839 0.881 1.788 1.00 . A A . 16 THR N 1 1 4 1507 1 1 16 THR O O -7.036 2.075 2.470 1.00 . A A . 16 THR O 1 1 4 1508 1 1 16 THR OG1 O -3.090 1.123 4.504 1.00 . A A . 16 THR OG1 1 1 4 1509 1 1 17 ILE C C -7.169 3.084 -0.509 1.00 . A A . 17 ILE C 1 1 4 1510 1 1 17 ILE CA C -6.439 3.865 0.587 1.00 . A A . 17 ILE CA 1 1 4 1511 1 1 17 ILE CB C -5.882 5.253 0.080 1.00 . A A . 17 ILE CB 1 1 4 1512 1 1 17 ILE CD1 C -8.105 6.508 0.336 1.00 . A A . 17 ILE CD1 1 1 4 1513 1 1 17 ILE CG1 C -6.977 6.098 -0.594 1.00 . A A . 17 ILE CG1 1 1 4 1514 1 1 17 ILE CG2 C -4.676 5.111 -0.825 1.00 . A A . 17 ILE CG2 1 1 4 1515 1 1 17 ILE H H -4.507 3.147 1.047 1.00 . A A . 17 ILE H 1 1 4 1516 1 1 17 ILE HA H -7.195 4.058 1.334 1.00 . A A . 17 ILE HA 1 1 4 1517 1 1 17 ILE HB H -5.546 5.780 0.959 1.00 . A A . 17 ILE HB 1 1 4 1518 1 1 17 ILE HD11 H -8.589 5.620 0.715 1.00 . A A . 17 ILE HD11 1 1 4 1519 1 1 17 ILE HD12 H -8.826 7.101 -0.206 1.00 . A A . 17 ILE HD12 1 1 4 1520 1 1 17 ILE HD13 H -7.708 7.080 1.160 1.00 . A A . 17 ILE HD13 1 1 4 1521 1 1 17 ILE HG12 H -6.541 6.997 -1.002 1.00 . A A . 17 ILE HG12 1 1 4 1522 1 1 17 ILE HG13 H -7.407 5.525 -1.402 1.00 . A A . 17 ILE HG13 1 1 4 1523 1 1 17 ILE HG21 H -4.952 4.530 -1.692 1.00 . A A . 17 ILE HG21 1 1 4 1524 1 1 17 ILE HG22 H -3.884 4.605 -0.292 1.00 . A A . 17 ILE HG22 1 1 4 1525 1 1 17 ILE HG23 H -4.339 6.088 -1.138 1.00 . A A . 17 ILE HG23 1 1 4 1526 1 1 17 ILE N N -5.462 3.047 1.253 1.00 . A A . 17 ILE N 1 1 4 1527 1 1 17 ILE O O -8.380 3.016 -0.500 1.00 . A A . 17 ILE O 1 1 4 1528 1 1 18 PHE C C -7.542 0.375 -2.181 1.00 . A A . 18 PHE C 1 1 4 1529 1 1 18 PHE CA C -7.031 1.768 -2.541 1.00 . A A . 18 PHE CA 1 1 4 1530 1 1 18 PHE CB C -6.096 1.729 -3.735 1.00 . A A . 18 PHE CB 1 1 4 1531 1 1 18 PHE CD1 C -4.441 3.534 -4.246 1.00 . A A . 18 PHE CD1 1 1 4 1532 1 1 18 PHE CD2 C -6.745 3.955 -4.652 1.00 . A A . 18 PHE CD2 1 1 4 1533 1 1 18 PHE CE1 C -4.133 4.802 -4.687 1.00 . A A . 18 PHE CE1 1 1 4 1534 1 1 18 PHE CE2 C -6.443 5.219 -5.093 1.00 . A A . 18 PHE CE2 1 1 4 1535 1 1 18 PHE CG C -5.750 3.096 -4.227 1.00 . A A . 18 PHE CG 1 1 4 1536 1 1 18 PHE CZ C -5.136 5.644 -5.113 1.00 . A A . 18 PHE CZ 1 1 4 1537 1 1 18 PHE H H -5.453 2.515 -1.351 1.00 . A A . 18 PHE H 1 1 4 1538 1 1 18 PHE HA H -7.893 2.356 -2.821 1.00 . A A . 18 PHE HA 1 1 4 1539 1 1 18 PHE HB2 H -5.180 1.226 -3.459 1.00 . A A . 18 PHE HB2 1 1 4 1540 1 1 18 PHE HB3 H -6.576 1.191 -4.538 1.00 . A A . 18 PHE HB3 1 1 4 1541 1 1 18 PHE HD1 H -3.658 2.868 -3.915 1.00 . A A . 18 PHE HD1 1 1 4 1542 1 1 18 PHE HD2 H -7.770 3.617 -4.629 1.00 . A A . 18 PHE HD2 1 1 4 1543 1 1 18 PHE HE1 H -3.107 5.139 -4.699 1.00 . A A . 18 PHE HE1 1 1 4 1544 1 1 18 PHE HE2 H -7.230 5.877 -5.428 1.00 . A A . 18 PHE HE2 1 1 4 1545 1 1 18 PHE HZ H -4.896 6.638 -5.458 1.00 . A A . 18 PHE HZ 1 1 4 1546 1 1 18 PHE N N -6.433 2.489 -1.428 1.00 . A A . 18 PHE N 1 1 4 1547 1 1 18 PHE O O -8.742 0.110 -2.272 1.00 . A A . 18 PHE O 1 1 4 1548 1 1 19 GLY C C -8.041 -1.968 -0.379 1.00 . A A . 19 GLY C 1 1 4 1549 1 1 19 GLY CA C -6.980 -1.880 -1.442 1.00 . A A . 19 GLY CA 1 1 4 1550 1 1 19 GLY H H -5.694 -0.229 -1.695 1.00 . A A . 19 GLY H 1 1 4 1551 1 1 19 GLY HA2 H -7.346 -2.358 -2.339 1.00 . A A . 19 GLY HA2 1 1 4 1552 1 1 19 GLY HA3 H -6.091 -2.392 -1.104 1.00 . A A . 19 GLY HA3 1 1 4 1553 1 1 19 GLY N N -6.632 -0.500 -1.770 1.00 . A A . 19 GLY N 1 1 4 1554 1 1 19 GLY O O -9.049 -2.667 -0.542 1.00 . A A . 19 GLY O 1 1 4 1555 1 1 20 LEU C C -10.162 -0.607 1.324 1.00 . A A . 20 LEU C 1 1 4 1556 1 1 20 LEU CA C -8.840 -1.198 1.755 1.00 . A A . 20 LEU CA 1 1 4 1557 1 1 20 LEU CB C -8.356 -0.543 3.015 1.00 . A A . 20 LEU CB 1 1 4 1558 1 1 20 LEU CD1 C -6.658 -2.214 3.822 1.00 . A A . 20 LEU CD1 1 1 4 1559 1 1 20 LEU CD2 C -7.922 -0.784 5.446 1.00 . A A . 20 LEU CD2 1 1 4 1560 1 1 20 LEU CG C -7.962 -1.494 4.120 1.00 . A A . 20 LEU CG 1 1 4 1561 1 1 20 LEU H H -6.983 -0.763 0.792 1.00 . A A . 20 LEU H 1 1 4 1562 1 1 20 LEU HA H -9.048 -2.232 1.983 1.00 . A A . 20 LEU HA 1 1 4 1563 1 1 20 LEU HB2 H -7.490 0.057 2.765 1.00 . A A . 20 LEU HB2 1 1 4 1564 1 1 20 LEU HB3 H -9.143 0.103 3.374 1.00 . A A . 20 LEU HB3 1 1 4 1565 1 1 20 LEU HD11 H -6.452 -2.931 4.602 1.00 . A A . 20 LEU HD11 1 1 4 1566 1 1 20 LEU HD12 H -5.854 -1.495 3.793 1.00 . A A . 20 LEU HD12 1 1 4 1567 1 1 20 LEU HD13 H -6.729 -2.718 2.870 1.00 . A A . 20 LEU HD13 1 1 4 1568 1 1 20 LEU HD21 H -7.212 0.027 5.391 1.00 . A A . 20 LEU HD21 1 1 4 1569 1 1 20 LEU HD22 H -7.642 -1.484 6.220 1.00 . A A . 20 LEU HD22 1 1 4 1570 1 1 20 LEU HD23 H -8.908 -0.390 5.642 1.00 . A A . 20 LEU HD23 1 1 4 1571 1 1 20 LEU HG H -8.761 -2.218 4.155 1.00 . A A . 20 LEU HG 1 1 4 1572 1 1 20 LEU N N -7.846 -1.239 0.703 1.00 . A A . 20 LEU N 1 1 4 1573 1 1 20 LEU O O -11.183 -0.998 1.839 1.00 . A A . 20 LEU O 1 1 4 1574 1 1 21 ALA C C -12.229 -0.197 -0.814 1.00 . A A . 21 ALA C 1 1 4 1575 1 1 21 ALA CA C -11.400 0.885 -0.141 1.00 . A A . 21 ALA CA 1 1 4 1576 1 1 21 ALA CB C -11.135 2.008 -1.117 1.00 . A A . 21 ALA CB 1 1 4 1577 1 1 21 ALA H H -9.290 0.642 0.055 1.00 . A A . 21 ALA H 1 1 4 1578 1 1 21 ALA HA H -11.962 1.272 0.695 1.00 . A A . 21 ALA HA 1 1 4 1579 1 1 21 ALA HB1 H -10.558 2.780 -0.631 1.00 . A A . 21 ALA HB1 1 1 4 1580 1 1 21 ALA HB2 H -12.073 2.419 -1.457 1.00 . A A . 21 ALA HB2 1 1 4 1581 1 1 21 ALA HB3 H -10.578 1.621 -1.957 1.00 . A A . 21 ALA HB3 1 1 4 1582 1 1 21 ALA N N -10.153 0.322 0.387 1.00 . A A . 21 ALA N 1 1 4 1583 1 1 21 ALA O O -13.442 -0.155 -0.789 1.00 . A A . 21 ALA O 1 1 4 1584 1 1 22 ALA C C -12.893 -3.182 -0.973 1.00 . A A . 22 ALA C 1 1 4 1585 1 1 22 ALA CA C -12.258 -2.282 -2.009 1.00 . A A . 22 ALA CA 1 1 4 1586 1 1 22 ALA CB C -11.339 -3.062 -2.918 1.00 . A A . 22 ALA CB 1 1 4 1587 1 1 22 ALA H H -10.586 -1.162 -1.358 1.00 . A A . 22 ALA H 1 1 4 1588 1 1 22 ALA HA H -13.076 -1.887 -2.592 1.00 . A A . 22 ALA HA 1 1 4 1589 1 1 22 ALA HB1 H -10.545 -3.495 -2.328 1.00 . A A . 22 ALA HB1 1 1 4 1590 1 1 22 ALA HB2 H -10.921 -2.403 -3.664 1.00 . A A . 22 ALA HB2 1 1 4 1591 1 1 22 ALA HB3 H -11.902 -3.850 -3.395 1.00 . A A . 22 ALA HB3 1 1 4 1592 1 1 22 ALA N N -11.570 -1.174 -1.376 1.00 . A A . 22 ALA N 1 1 4 1593 1 1 22 ALA O O -13.907 -3.791 -1.222 1.00 . A A . 22 ALA O 1 1 4 1594 1 1 23 TRP C C -13.843 -3.373 2.058 1.00 . A A . 23 TRP C 1 1 4 1595 1 1 23 TRP CA C -12.851 -4.129 1.176 1.00 . A A . 23 TRP CA 1 1 4 1596 1 1 23 TRP CB C -11.757 -4.780 1.997 1.00 . A A . 23 TRP CB 1 1 4 1597 1 1 23 TRP CD1 C -12.105 -6.700 3.649 1.00 . A A . 23 TRP CD1 1 1 4 1598 1 1 23 TRP CD2 C -12.620 -7.196 1.532 1.00 . A A . 23 TRP CD2 1 1 4 1599 1 1 23 TRP CE2 C -12.870 -8.324 2.322 1.00 . A A . 23 TRP CE2 1 1 4 1600 1 1 23 TRP CE3 C -12.872 -7.263 0.151 1.00 . A A . 23 TRP CE3 1 1 4 1601 1 1 23 TRP CG C -12.126 -6.167 2.403 1.00 . A A . 23 TRP CG 1 1 4 1602 1 1 23 TRP CH2 C -13.601 -9.546 0.437 1.00 . A A . 23 TRP CH2 1 1 4 1603 1 1 23 TRP CZ2 C -13.360 -9.513 1.786 1.00 . A A . 23 TRP CZ2 1 1 4 1604 1 1 23 TRP CZ3 C -13.358 -8.430 -0.379 1.00 . A A . 23 TRP CZ3 1 1 4 1605 1 1 23 TRP H H -11.469 -2.777 0.330 1.00 . A A . 23 TRP H 1 1 4 1606 1 1 23 TRP HA H -13.402 -4.903 0.665 1.00 . A A . 23 TRP HA 1 1 4 1607 1 1 23 TRP HB2 H -10.818 -4.768 1.465 1.00 . A A . 23 TRP HB2 1 1 4 1608 1 1 23 TRP HB3 H -11.650 -4.198 2.899 1.00 . A A . 23 TRP HB3 1 1 4 1609 1 1 23 TRP HD1 H -11.783 -6.174 4.536 1.00 . A A . 23 TRP HD1 1 1 4 1610 1 1 23 TRP HE1 H -12.623 -8.588 4.395 1.00 . A A . 23 TRP HE1 1 1 4 1611 1 1 23 TRP HE3 H -12.693 -6.419 -0.498 1.00 . A A . 23 TRP HE3 1 1 4 1612 1 1 23 TRP HH2 H -13.982 -10.444 -0.022 1.00 . A A . 23 TRP HH2 1 1 4 1613 1 1 23 TRP HZ2 H -13.551 -10.378 2.404 1.00 . A A . 23 TRP HZ2 1 1 4 1614 1 1 23 TRP HZ3 H -13.555 -8.466 -1.442 1.00 . A A . 23 TRP HZ3 1 1 4 1615 1 1 23 TRP N N -12.295 -3.279 0.172 1.00 . A A . 23 TRP N 1 1 4 1616 1 1 23 TRP NE1 N -12.550 -7.996 3.611 1.00 . A A . 23 TRP NE1 1 1 4 1617 1 1 23 TRP O O -14.877 -3.878 2.399 1.00 . A A . 23 TRP O 1 1 4 1618 1 1 24 ALA C C -15.518 -0.746 2.489 1.00 . A A . 24 ALA C 1 1 4 1619 1 1 24 ALA CA C -14.353 -1.357 3.269 1.00 . A A . 24 ALA CA 1 1 4 1620 1 1 24 ALA CB C -13.538 -0.273 3.938 1.00 . A A . 24 ALA CB 1 1 4 1621 1 1 24 ALA H H -12.612 -1.830 2.173 1.00 . A A . 24 ALA H 1 1 4 1622 1 1 24 ALA HA H -14.759 -1.990 4.043 1.00 . A A . 24 ALA HA 1 1 4 1623 1 1 24 ALA HB1 H -13.148 0.392 3.181 1.00 . A A . 24 ALA HB1 1 1 4 1624 1 1 24 ALA HB2 H -12.716 -0.735 4.464 1.00 . A A . 24 ALA HB2 1 1 4 1625 1 1 24 ALA HB3 H -14.159 0.277 4.628 1.00 . A A . 24 ALA HB3 1 1 4 1626 1 1 24 ALA N N -13.494 -2.178 2.438 1.00 . A A . 24 ALA N 1 1 4 1627 1 1 24 ALA O O -16.661 -0.856 2.877 1.00 . A A . 24 ALA O 1 1 4 1628 1 1 25 LEU C C -16.986 -0.205 -0.340 1.00 . A A . 25 LEU C 1 1 4 1629 1 1 25 LEU CA C -16.204 0.657 0.654 1.00 . A A . 25 LEU CA 1 1 4 1630 1 1 25 LEU CB C -15.595 1.873 -0.044 1.00 . A A . 25 LEU CB 1 1 4 1631 1 1 25 LEU CD1 C -14.495 4.134 0.024 1.00 . A A . 25 LEU CD1 1 1 4 1632 1 1 25 LEU CD2 C -16.208 3.544 1.747 1.00 . A A . 25 LEU CD2 1 1 4 1633 1 1 25 LEU CG C -15.087 3.010 0.860 1.00 . A A . 25 LEU CG 1 1 4 1634 1 1 25 LEU H H -14.275 -0.051 1.114 1.00 . A A . 25 LEU H 1 1 4 1635 1 1 25 LEU HA H -16.918 1.027 1.372 1.00 . A A . 25 LEU HA 1 1 4 1636 1 1 25 LEU HB2 H -14.741 1.518 -0.610 1.00 . A A . 25 LEU HB2 1 1 4 1637 1 1 25 LEU HB3 H -16.339 2.252 -0.725 1.00 . A A . 25 LEU HB3 1 1 4 1638 1 1 25 LEU HD11 H -13.667 3.758 -0.560 1.00 . A A . 25 LEU HD11 1 1 4 1639 1 1 25 LEU HD12 H -14.152 4.927 0.672 1.00 . A A . 25 LEU HD12 1 1 4 1640 1 1 25 LEU HD13 H -15.255 4.518 -0.639 1.00 . A A . 25 LEU HD13 1 1 4 1641 1 1 25 LEU HD21 H -16.563 2.756 2.394 1.00 . A A . 25 LEU HD21 1 1 4 1642 1 1 25 LEU HD22 H -17.020 3.894 1.128 1.00 . A A . 25 LEU HD22 1 1 4 1643 1 1 25 LEU HD23 H -15.834 4.361 2.346 1.00 . A A . 25 LEU HD23 1 1 4 1644 1 1 25 LEU HG H -14.302 2.628 1.497 1.00 . A A . 25 LEU HG 1 1 4 1645 1 1 25 LEU N N -15.204 -0.060 1.425 1.00 . A A . 25 LEU N 1 1 4 1646 1 1 25 LEU O O -18.104 0.140 -0.701 1.00 . A A . 25 LEU O 1 1 4 1647 1 1 26 LEU C C -17.694 -3.345 -1.274 1.00 . A A . 26 LEU C 1 1 4 1648 1 1 26 LEU CA C -17.034 -2.096 -1.837 1.00 . A A . 26 LEU CA 1 1 4 1649 1 1 26 LEU CB C -16.006 -2.479 -2.903 1.00 . A A . 26 LEU CB 1 1 4 1650 1 1 26 LEU CD1 C -17.409 -2.872 -4.979 1.00 . A A . 26 LEU CD1 1 1 4 1651 1 1 26 LEU CD2 C -15.253 -4.128 -4.632 1.00 . A A . 26 LEU CD2 1 1 4 1652 1 1 26 LEU CG C -16.450 -3.482 -3.965 1.00 . A A . 26 LEU CG 1 1 4 1653 1 1 26 LEU H H -15.518 -1.537 -0.461 1.00 . A A . 26 LEU H 1 1 4 1654 1 1 26 LEU HA H -17.797 -1.497 -2.299 1.00 . A A . 26 LEU HA 1 1 4 1655 1 1 26 LEU HB2 H -15.686 -1.579 -3.408 1.00 . A A . 26 LEU HB2 1 1 4 1656 1 1 26 LEU HB3 H -15.149 -2.894 -2.393 1.00 . A A . 26 LEU HB3 1 1 4 1657 1 1 26 LEU HD11 H -16.922 -2.058 -5.495 1.00 . A A . 26 LEU HD11 1 1 4 1658 1 1 26 LEU HD12 H -18.297 -2.515 -4.479 1.00 . A A . 26 LEU HD12 1 1 4 1659 1 1 26 LEU HD13 H -17.692 -3.628 -5.696 1.00 . A A . 26 LEU HD13 1 1 4 1660 1 1 26 LEU HD21 H -15.603 -4.775 -5.421 1.00 . A A . 26 LEU HD21 1 1 4 1661 1 1 26 LEU HD22 H -14.727 -4.733 -3.906 1.00 . A A . 26 LEU HD22 1 1 4 1662 1 1 26 LEU HD23 H -14.597 -3.372 -5.040 1.00 . A A . 26 LEU HD23 1 1 4 1663 1 1 26 LEU HG H -16.996 -4.256 -3.445 1.00 . A A . 26 LEU HG 1 1 4 1664 1 1 26 LEU N N -16.396 -1.276 -0.805 1.00 . A A . 26 LEU N 1 1 4 1665 1 1 26 LEU O O -18.664 -3.866 -1.842 1.00 . A A . 26 LEU O 1 1 4 1666 1 1 27 ALA C C -18.555 -4.824 1.599 1.00 . A A . 27 ALA C 1 1 4 1667 1 1 27 ALA CA C -17.658 -5.051 0.386 1.00 . A A . 27 ALA CA 1 1 4 1668 1 1 27 ALA CB C -16.479 -5.952 0.725 1.00 . A A . 27 ALA CB 1 1 4 1669 1 1 27 ALA H H -16.499 -3.241 0.223 1.00 . A A . 27 ALA H 1 1 4 1670 1 1 27 ALA HA H -18.252 -5.549 -0.366 1.00 . A A . 27 ALA HA 1 1 4 1671 1 1 27 ALA HB1 H -15.881 -6.108 -0.161 1.00 . A A . 27 ALA HB1 1 1 4 1672 1 1 27 ALA HB2 H -16.834 -6.900 1.097 1.00 . A A . 27 ALA HB2 1 1 4 1673 1 1 27 ALA HB3 H -15.869 -5.479 1.482 1.00 . A A . 27 ALA HB3 1 1 4 1674 1 1 27 ALA N N -17.187 -3.799 -0.193 1.00 . A A . 27 ALA N 1 1 4 1675 1 1 27 ALA O O -19.741 -4.488 1.401 1.00 . A A . 27 ALA O 1 1 4 1676 1 1 27 ALA OXT O -18.096 -5.020 2.737 1.00 . A A . 27 ALA OXT 1 1 5 1677 1 1 1 ARG C C 14.928 -6.454 -2.354 1.00 . A A . 1 ARG C 1 1 5 1678 1 1 1 ARG CA C 16.358 -6.049 -2.139 1.00 . A A . 1 ARG CA 1 1 5 1679 1 1 1 ARG CB C 16.386 -4.654 -1.492 1.00 . A A . 1 ARG CB 1 1 5 1680 1 1 1 ARG CD C 18.506 -4.930 -0.181 1.00 . A A . 1 ARG CD 1 1 5 1681 1 1 1 ARG CG C 17.767 -4.098 -1.206 1.00 . A A . 1 ARG CG 1 1 5 1682 1 1 1 ARG CZ C 20.672 -4.901 1.031 1.00 . A A . 1 ARG CZ 1 1 5 1683 1 1 1 ARG H1 H 16.640 -5.274 -4.035 1.00 . A A . 1 ARG H1 1 1 5 1684 1 1 1 ARG H2 H 16.777 -6.915 -3.913 1.00 . A A . 1 ARG H2 1 1 5 1685 1 1 1 ARG H3 H 18.055 -5.956 -3.377 1.00 . A A . 1 ARG H3 1 1 5 1686 1 1 1 ARG HA H 16.843 -6.762 -1.492 1.00 . A A . 1 ARG HA 1 1 5 1687 1 1 1 ARG HB2 H 15.886 -3.961 -2.151 1.00 . A A . 1 ARG HB2 1 1 5 1688 1 1 1 ARG HB3 H 15.837 -4.695 -0.563 1.00 . A A . 1 ARG HB3 1 1 5 1689 1 1 1 ARG HD2 H 17.912 -4.964 0.721 1.00 . A A . 1 ARG HD2 1 1 5 1690 1 1 1 ARG HD3 H 18.633 -5.930 -0.564 1.00 . A A . 1 ARG HD3 1 1 5 1691 1 1 1 ARG HE H 20.046 -3.537 -0.335 1.00 . A A . 1 ARG HE 1 1 5 1692 1 1 1 ARG HG2 H 18.339 -4.081 -2.122 1.00 . A A . 1 ARG HG2 1 1 5 1693 1 1 1 ARG HG3 H 17.658 -3.091 -0.831 1.00 . A A . 1 ARG HG3 1 1 5 1694 1 1 1 ARG HH11 H 19.552 -6.579 1.421 1.00 . A A . 1 ARG HH11 1 1 5 1695 1 1 1 ARG HH12 H 21.003 -6.476 2.291 1.00 . A A . 1 ARG HH12 1 1 5 1696 1 1 1 ARG HH21 H 22.082 -3.418 0.895 1.00 . A A . 1 ARG HH21 1 1 5 1697 1 1 1 ARG HH22 H 22.452 -4.654 1.997 1.00 . A A . 1 ARG HH22 1 1 5 1698 1 1 1 ARG N N 17.020 -6.028 -3.431 1.00 . A A . 1 ARG N 1 1 5 1699 1 1 1 ARG NE N 19.824 -4.373 0.141 1.00 . A A . 1 ARG NE 1 1 5 1700 1 1 1 ARG NH1 N 20.387 -6.057 1.613 1.00 . A A . 1 ARG NH1 1 1 5 1701 1 1 1 ARG NH2 N 21.804 -4.285 1.319 1.00 . A A . 1 ARG NH2 1 1 5 1702 1 1 1 ARG O O 14.509 -6.677 -3.484 1.00 . A A . 1 ARG O 1 1 5 1703 1 1 2 ASN C C 11.997 -5.791 -0.751 1.00 . A A . 2 ASN C 1 1 5 1704 1 1 2 ASN CA C 12.792 -6.897 -1.352 1.00 . A A . 2 ASN CA 1 1 5 1705 1 1 2 ASN CB C 12.481 -8.217 -0.640 1.00 . A A . 2 ASN CB 1 1 5 1706 1 1 2 ASN CG C 12.880 -9.431 -1.440 1.00 . A A . 2 ASN CG 1 1 5 1707 1 1 2 ASN H H 14.621 -6.460 -0.412 1.00 . A A . 2 ASN H 1 1 5 1708 1 1 2 ASN HA H 12.527 -6.993 -2.392 1.00 . A A . 2 ASN HA 1 1 5 1709 1 1 2 ASN HB2 H 13.017 -8.249 0.297 1.00 . A A . 2 ASN HB2 1 1 5 1710 1 1 2 ASN HB3 H 11.425 -8.274 -0.434 1.00 . A A . 2 ASN HB3 1 1 5 1711 1 1 2 ASN HD21 H 11.062 -9.539 -2.183 1.00 . A A . 2 ASN HD21 1 1 5 1712 1 1 2 ASN HD22 H 12.170 -10.746 -2.736 1.00 . A A . 2 ASN HD22 1 1 5 1713 1 1 2 ASN N N 14.202 -6.580 -1.290 1.00 . A A . 2 ASN N 1 1 5 1714 1 1 2 ASN ND2 N 11.951 -9.958 -2.191 1.00 . A A . 2 ASN ND2 1 1 5 1715 1 1 2 ASN O O 11.004 -5.342 -1.303 1.00 . A A . 2 ASN O 1 1 5 1716 1 1 2 ASN OD1 O 14.009 -9.905 -1.359 1.00 . A A . 2 ASN OD1 1 1 5 1717 1 1 3 LYS C C 12.468 -2.968 0.803 1.00 . A A . 3 LYS C 1 1 5 1718 1 1 3 LYS CA C 11.794 -4.305 1.095 1.00 . A A . 3 LYS CA 1 1 5 1719 1 1 3 LYS CB C 11.891 -4.599 2.590 1.00 . A A . 3 LYS CB 1 1 5 1720 1 1 3 LYS CD C 11.761 -3.472 4.831 1.00 . A A . 3 LYS CD 1 1 5 1721 1 1 3 LYS CE C 13.134 -2.814 4.721 1.00 . A A . 3 LYS CE 1 1 5 1722 1 1 3 LYS CG C 11.128 -3.613 3.469 1.00 . A A . 3 LYS CG 1 1 5 1723 1 1 3 LYS H H 13.297 -5.698 0.706 1.00 . A A . 3 LYS H 1 1 5 1724 1 1 3 LYS HA H 10.753 -4.264 0.810 1.00 . A A . 3 LYS HA 1 1 5 1725 1 1 3 LYS HB2 H 11.486 -5.583 2.771 1.00 . A A . 3 LYS HB2 1 1 5 1726 1 1 3 LYS HB3 H 12.929 -4.599 2.877 1.00 . A A . 3 LYS HB3 1 1 5 1727 1 1 3 LYS HD2 H 11.119 -2.855 5.443 1.00 . A A . 3 LYS HD2 1 1 5 1728 1 1 3 LYS HD3 H 11.860 -4.447 5.285 1.00 . A A . 3 LYS HD3 1 1 5 1729 1 1 3 LYS HE2 H 13.766 -3.371 4.047 1.00 . A A . 3 LYS HE2 1 1 5 1730 1 1 3 LYS HE3 H 12.997 -1.821 4.319 1.00 . A A . 3 LYS HE3 1 1 5 1731 1 1 3 LYS HG2 H 11.131 -2.647 2.986 1.00 . A A . 3 LYS HG2 1 1 5 1732 1 1 3 LYS HG3 H 10.111 -3.959 3.583 1.00 . A A . 3 LYS HG3 1 1 5 1733 1 1 3 LYS HZ1 H 13.962 -3.665 6.420 1.00 . A A . 3 LYS HZ1 1 1 5 1734 1 1 3 LYS HZ2 H 13.209 -2.193 6.693 1.00 . A A . 3 LYS HZ2 1 1 5 1735 1 1 3 LYS HZ3 H 14.713 -2.235 5.928 1.00 . A A . 3 LYS HZ3 1 1 5 1736 1 1 3 LYS N N 12.454 -5.336 0.367 1.00 . A A . 3 LYS N 1 1 5 1737 1 1 3 LYS NZ N 13.800 -2.718 6.019 1.00 . A A . 3 LYS NZ 1 1 5 1738 1 1 3 LYS O O 13.647 -2.921 0.454 1.00 . A A . 3 LYS O 1 1 5 1739 1 1 4 LEU C C 11.232 0.317 1.559 1.00 . A A . 4 LEU C 1 1 5 1740 1 1 4 LEU CA C 12.192 -0.566 0.791 1.00 . A A . 4 LEU CA 1 1 5 1741 1 1 4 LEU CB C 12.195 -0.185 -0.698 1.00 . A A . 4 LEU CB 1 1 5 1742 1 1 4 LEU CD1 C 14.262 1.254 -0.858 1.00 . A A . 4 LEU CD1 1 1 5 1743 1 1 4 LEU CD2 C 12.404 1.560 -2.495 1.00 . A A . 4 LEU CD2 1 1 5 1744 1 1 4 LEU CG C 12.761 1.196 -1.069 1.00 . A A . 4 LEU CG 1 1 5 1745 1 1 4 LEU H H 10.773 -2.021 1.182 1.00 . A A . 4 LEU H 1 1 5 1746 1 1 4 LEU HA H 13.185 -0.475 1.205 1.00 . A A . 4 LEU HA 1 1 5 1747 1 1 4 LEU HB2 H 12.809 -0.931 -1.180 1.00 . A A . 4 LEU HB2 1 1 5 1748 1 1 4 LEU HB3 H 11.186 -0.263 -1.075 1.00 . A A . 4 LEU HB3 1 1 5 1749 1 1 4 LEU HD11 H 14.498 1.010 0.166 1.00 . A A . 4 LEU HD11 1 1 5 1750 1 1 4 LEU HD12 H 14.610 2.252 -1.077 1.00 . A A . 4 LEU HD12 1 1 5 1751 1 1 4 LEU HD13 H 14.749 0.555 -1.523 1.00 . A A . 4 LEU HD13 1 1 5 1752 1 1 4 LEU HD21 H 12.808 2.534 -2.729 1.00 . A A . 4 LEU HD21 1 1 5 1753 1 1 4 LEU HD22 H 11.330 1.580 -2.598 1.00 . A A . 4 LEU HD22 1 1 5 1754 1 1 4 LEU HD23 H 12.822 0.827 -3.170 1.00 . A A . 4 LEU HD23 1 1 5 1755 1 1 4 LEU HG H 12.322 1.934 -0.415 1.00 . A A . 4 LEU HG 1 1 5 1756 1 1 4 LEU N N 11.718 -1.910 0.950 1.00 . A A . 4 LEU N 1 1 5 1757 1 1 4 LEU O O 10.089 -0.111 1.831 1.00 . A A . 4 LEU O 1 1 5 1758 1 1 5 ALA C C 9.631 2.824 1.796 1.00 . A A . 5 ALA C 1 1 5 1759 1 1 5 ALA CA C 10.854 2.477 2.625 1.00 . A A . 5 ALA CA 1 1 5 1760 1 1 5 ALA CB C 11.680 3.715 2.932 1.00 . A A . 5 ALA CB 1 1 5 1761 1 1 5 ALA H H 12.622 1.705 1.759 1.00 . A A . 5 ALA H 1 1 5 1762 1 1 5 ALA HA H 10.519 2.046 3.552 1.00 . A A . 5 ALA HA 1 1 5 1763 1 1 5 ALA HB1 H 12.010 4.167 2.009 1.00 . A A . 5 ALA HB1 1 1 5 1764 1 1 5 ALA HB2 H 12.546 3.417 3.502 1.00 . A A . 5 ALA HB2 1 1 5 1765 1 1 5 ALA HB3 H 11.089 4.420 3.498 1.00 . A A . 5 ALA HB3 1 1 5 1766 1 1 5 ALA N N 11.675 1.498 1.931 1.00 . A A . 5 ALA N 1 1 5 1767 1 1 5 ALA O O 8.508 2.828 2.289 1.00 . A A . 5 ALA O 1 1 5 1768 1 1 6 TYR C C 7.950 2.130 -0.751 1.00 . A A . 6 TYR C 1 1 5 1769 1 1 6 TYR CA C 8.786 3.346 -0.407 1.00 . A A . 6 TYR CA 1 1 5 1770 1 1 6 TYR CB C 9.317 4.034 -1.664 1.00 . A A . 6 TYR CB 1 1 5 1771 1 1 6 TYR CD1 C 11.092 5.668 -0.905 1.00 . A A . 6 TYR CD1 1 1 5 1772 1 1 6 TYR CD2 C 8.991 6.520 -1.620 1.00 . A A . 6 TYR CD2 1 1 5 1773 1 1 6 TYR CE1 C 11.527 6.948 -0.639 1.00 . A A . 6 TYR CE1 1 1 5 1774 1 1 6 TYR CE2 C 9.417 7.802 -1.366 1.00 . A A . 6 TYR CE2 1 1 5 1775 1 1 6 TYR CG C 9.815 5.432 -1.399 1.00 . A A . 6 TYR CG 1 1 5 1776 1 1 6 TYR CZ C 10.688 8.011 -0.870 1.00 . A A . 6 TYR CZ 1 1 5 1777 1 1 6 TYR H H 10.788 2.993 0.235 1.00 . A A . 6 TYR H 1 1 5 1778 1 1 6 TYR HA H 8.142 4.040 0.112 1.00 . A A . 6 TYR HA 1 1 5 1779 1 1 6 TYR HB2 H 10.130 3.452 -2.072 1.00 . A A . 6 TYR HB2 1 1 5 1780 1 1 6 TYR HB3 H 8.525 4.096 -2.396 1.00 . A A . 6 TYR HB3 1 1 5 1781 1 1 6 TYR HD1 H 11.751 4.831 -0.727 1.00 . A A . 6 TYR HD1 1 1 5 1782 1 1 6 TYR HD2 H 7.996 6.352 -2.004 1.00 . A A . 6 TYR HD2 1 1 5 1783 1 1 6 TYR HE1 H 12.521 7.112 -0.253 1.00 . A A . 6 TYR HE1 1 1 5 1784 1 1 6 TYR HE2 H 8.748 8.628 -1.553 1.00 . A A . 6 TYR HE2 1 1 5 1785 1 1 6 TYR HH H 12.038 9.353 -0.865 1.00 . A A . 6 TYR HH 1 1 5 1786 1 1 6 TYR N N 9.857 3.029 0.528 1.00 . A A . 6 TYR N 1 1 5 1787 1 1 6 TYR O O 6.816 2.253 -1.161 1.00 . A A . 6 TYR O 1 1 5 1788 1 1 6 TYR OH O 11.114 9.286 -0.596 1.00 . A A . 6 TYR OH 1 1 5 1789 1 1 7 ASN C C 6.754 -0.483 0.291 1.00 . A A . 7 ASN C 1 1 5 1790 1 1 7 ASN CA C 7.768 -0.262 -0.805 1.00 . A A . 7 ASN CA 1 1 5 1791 1 1 7 ASN CB C 8.718 -1.470 -0.901 1.00 . A A . 7 ASN CB 1 1 5 1792 1 1 7 ASN CG C 7.987 -2.799 -1.120 1.00 . A A . 7 ASN CG 1 1 5 1793 1 1 7 ASN H H 9.407 0.943 -0.179 1.00 . A A . 7 ASN H 1 1 5 1794 1 1 7 ASN HA H 7.253 -0.144 -1.747 1.00 . A A . 7 ASN HA 1 1 5 1795 1 1 7 ASN HB2 H 9.412 -1.322 -1.715 1.00 . A A . 7 ASN HB2 1 1 5 1796 1 1 7 ASN HB3 H 9.269 -1.537 0.024 1.00 . A A . 7 ASN HB3 1 1 5 1797 1 1 7 ASN HD21 H 8.012 -2.502 -3.060 1.00 . A A . 7 ASN HD21 1 1 5 1798 1 1 7 ASN HD22 H 7.257 -3.969 -2.549 1.00 . A A . 7 ASN HD22 1 1 5 1799 1 1 7 ASN N N 8.500 0.966 -0.544 1.00 . A A . 7 ASN N 1 1 5 1800 1 1 7 ASN ND2 N 7.726 -3.128 -2.358 1.00 . A A . 7 ASN ND2 1 1 5 1801 1 1 7 ASN O O 5.568 -0.558 0.055 1.00 . A A . 7 ASN O 1 1 5 1802 1 1 7 ASN OD1 O 7.658 -3.510 -0.169 1.00 . A A . 7 ASN OD1 1 1 5 1803 1 1 8 MET C C 5.619 0.444 3.088 1.00 . A A . 8 MET C 1 1 5 1804 1 1 8 MET CA C 6.375 -0.797 2.633 1.00 . A A . 8 MET CA 1 1 5 1805 1 1 8 MET CB C 7.111 -1.468 3.789 1.00 . A A . 8 MET CB 1 1 5 1806 1 1 8 MET CE C 5.121 -3.851 2.314 1.00 . A A . 8 MET CE 1 1 5 1807 1 1 8 MET CG C 7.536 -2.923 3.546 1.00 . A A . 8 MET CG 1 1 5 1808 1 1 8 MET H H 8.206 -0.471 1.613 1.00 . A A . 8 MET H 1 1 5 1809 1 1 8 MET HA H 5.633 -1.484 2.266 1.00 . A A . 8 MET HA 1 1 5 1810 1 1 8 MET HB2 H 8.000 -0.895 4.013 1.00 . A A . 8 MET HB2 1 1 5 1811 1 1 8 MET HB3 H 6.464 -1.453 4.654 1.00 . A A . 8 MET HB3 1 1 5 1812 1 1 8 MET HE1 H 5.709 -3.743 1.413 1.00 . A A . 8 MET HE1 1 1 5 1813 1 1 8 MET HE2 H 4.506 -2.985 2.498 1.00 . A A . 8 MET HE2 1 1 5 1814 1 1 8 MET HE3 H 4.469 -4.705 2.193 1.00 . A A . 8 MET HE3 1 1 5 1815 1 1 8 MET HG2 H 7.932 -3.009 2.546 1.00 . A A . 8 MET HG2 1 1 5 1816 1 1 8 MET HG3 H 8.316 -3.155 4.255 1.00 . A A . 8 MET HG3 1 1 5 1817 1 1 8 MET N N 7.238 -0.572 1.494 1.00 . A A . 8 MET N 1 1 5 1818 1 1 8 MET O O 4.400 0.450 3.109 1.00 . A A . 8 MET O 1 1 5 1819 1 1 8 MET SD S 6.207 -4.179 3.708 1.00 . A A . 8 MET SD 1 1 5 1820 1 1 9 GLY C C 4.928 3.496 3.050 1.00 . A A . 9 GLY C 1 1 5 1821 1 1 9 GLY CA C 5.759 2.675 4.008 1.00 . A A . 9 GLY CA 1 1 5 1822 1 1 9 GLY H H 7.311 1.498 3.218 1.00 . A A . 9 GLY H 1 1 5 1823 1 1 9 GLY HA2 H 5.127 2.371 4.828 1.00 . A A . 9 GLY HA2 1 1 5 1824 1 1 9 GLY HA3 H 6.559 3.290 4.395 1.00 . A A . 9 GLY HA3 1 1 5 1825 1 1 9 GLY N N 6.350 1.495 3.409 1.00 . A A . 9 GLY N 1 1 5 1826 1 1 9 GLY O O 3.795 3.884 3.373 1.00 . A A . 9 GLY O 1 1 5 1827 1 1 10 HIS C C 3.508 3.870 0.381 1.00 . A A . 10 HIS C 1 1 5 1828 1 1 10 HIS CA C 4.768 4.579 0.896 1.00 . A A . 10 HIS CA 1 1 5 1829 1 1 10 HIS CB C 5.721 4.944 -0.236 1.00 . A A . 10 HIS CB 1 1 5 1830 1 1 10 HIS CD2 C 4.758 5.773 -2.449 1.00 . A A . 10 HIS CD2 1 1 5 1831 1 1 10 HIS CE1 C 4.330 7.793 -1.857 1.00 . A A . 10 HIS CE1 1 1 5 1832 1 1 10 HIS CG C 5.159 5.921 -1.180 1.00 . A A . 10 HIS CG 1 1 5 1833 1 1 10 HIS H H 6.341 3.366 1.666 1.00 . A A . 10 HIS H 1 1 5 1834 1 1 10 HIS HA H 4.436 5.496 1.371 1.00 . A A . 10 HIS HA 1 1 5 1835 1 1 10 HIS HB2 H 6.610 5.383 0.189 1.00 . A A . 10 HIS HB2 1 1 5 1836 1 1 10 HIS HB3 H 5.979 4.048 -0.781 1.00 . A A . 10 HIS HB3 1 1 5 1837 1 1 10 HIS HD1 H 5.074 7.641 0.024 1.00 . A A . 10 HIS HD1 1 1 5 1838 1 1 10 HIS HD2 H 4.871 4.875 -3.037 1.00 . A A . 10 HIS HD2 1 1 5 1839 1 1 10 HIS HE1 H 3.994 8.811 -1.810 1.00 . A A . 10 HIS HE1 1 1 5 1840 1 1 10 HIS N N 5.460 3.748 1.875 1.00 . A A . 10 HIS N 1 1 5 1841 1 1 10 HIS ND1 N 4.887 7.205 -0.839 1.00 . A A . 10 HIS ND1 1 1 5 1842 1 1 10 HIS NE2 N 4.217 6.976 -2.887 1.00 . A A . 10 HIS NE2 1 1 5 1843 1 1 10 HIS O O 2.426 4.473 0.287 1.00 . A A . 10 HIS O 1 1 5 1844 1 1 11 TYR C C 1.490 1.619 0.795 1.00 . A A . 11 TYR C 1 1 5 1845 1 1 11 TYR CA C 2.476 1.810 -0.322 1.00 . A A . 11 TYR CA 1 1 5 1846 1 1 11 TYR CB C 2.827 0.482 -0.975 1.00 . A A . 11 TYR CB 1 1 5 1847 1 1 11 TYR CD1 C 2.421 0.688 -3.441 1.00 . A A . 11 TYR CD1 1 1 5 1848 1 1 11 TYR CD2 C 4.668 0.678 -2.685 1.00 . A A . 11 TYR CD2 1 1 5 1849 1 1 11 TYR CE1 C 2.848 0.817 -4.739 1.00 . A A . 11 TYR CE1 1 1 5 1850 1 1 11 TYR CE2 C 5.112 0.808 -3.987 1.00 . A A . 11 TYR CE2 1 1 5 1851 1 1 11 TYR CG C 3.322 0.619 -2.393 1.00 . A A . 11 TYR CG 1 1 5 1852 1 1 11 TYR CZ C 4.192 0.876 -5.010 1.00 . A A . 11 TYR CZ 1 1 5 1853 1 1 11 TYR H H 4.506 2.153 0.172 1.00 . A A . 11 TYR H 1 1 5 1854 1 1 11 TYR HA H 1.979 2.425 -1.059 1.00 . A A . 11 TYR HA 1 1 5 1855 1 1 11 TYR HB2 H 3.600 0.016 -0.387 1.00 . A A . 11 TYR HB2 1 1 5 1856 1 1 11 TYR HB3 H 1.954 -0.155 -0.984 1.00 . A A . 11 TYR HB3 1 1 5 1857 1 1 11 TYR HD1 H 1.364 0.643 -3.220 1.00 . A A . 11 TYR HD1 1 1 5 1858 1 1 11 TYR HD2 H 5.370 0.621 -1.865 1.00 . A A . 11 TYR HD2 1 1 5 1859 1 1 11 TYR HE1 H 2.123 0.869 -5.538 1.00 . A A . 11 TYR HE1 1 1 5 1860 1 1 11 TYR HE2 H 6.171 0.849 -4.199 1.00 . A A . 11 TYR HE2 1 1 5 1861 1 1 11 TYR HH H 5.327 0.376 -6.459 1.00 . A A . 11 TYR HH 1 1 5 1862 1 1 11 TYR N N 3.628 2.581 0.098 1.00 . A A . 11 TYR N 1 1 5 1863 1 1 11 TYR O O 0.327 1.485 0.535 1.00 . A A . 11 TYR O 1 1 5 1864 1 1 11 TYR OH O 4.615 1.011 -6.311 1.00 . A A . 11 TYR OH 1 1 5 1865 1 1 12 ALA C C 0.016 2.598 3.167 1.00 . A A . 12 ALA C 1 1 5 1866 1 1 12 ALA CA C 1.045 1.484 3.186 1.00 . A A . 12 ALA CA 1 1 5 1867 1 1 12 ALA CB C 1.801 1.495 4.499 1.00 . A A . 12 ALA CB 1 1 5 1868 1 1 12 ALA H H 2.920 1.643 2.209 1.00 . A A . 12 ALA H 1 1 5 1869 1 1 12 ALA HA H 0.526 0.542 3.087 1.00 . A A . 12 ALA HA 1 1 5 1870 1 1 12 ALA HB1 H 2.520 0.691 4.503 1.00 . A A . 12 ALA HB1 1 1 5 1871 1 1 12 ALA HB2 H 1.104 1.366 5.316 1.00 . A A . 12 ALA HB2 1 1 5 1872 1 1 12 ALA HB3 H 2.315 2.439 4.599 1.00 . A A . 12 ALA HB3 1 1 5 1873 1 1 12 ALA N N 1.954 1.602 2.041 1.00 . A A . 12 ALA N 1 1 5 1874 1 1 12 ALA O O -1.169 2.359 3.377 1.00 . A A . 12 ALA O 1 1 5 1875 1 1 13 GLY C C -1.318 4.847 1.571 1.00 . A A . 13 GLY C 1 1 5 1876 1 1 13 GLY CA C -0.435 4.919 2.798 1.00 . A A . 13 GLY CA 1 1 5 1877 1 1 13 GLY H H 1.429 3.909 2.709 1.00 . A A . 13 GLY H 1 1 5 1878 1 1 13 GLY HA2 H -1.062 4.926 3.676 1.00 . A A . 13 GLY HA2 1 1 5 1879 1 1 13 GLY HA3 H 0.135 5.835 2.763 1.00 . A A . 13 GLY HA3 1 1 5 1880 1 1 13 GLY N N 0.468 3.800 2.873 1.00 . A A . 13 GLY N 1 1 5 1881 1 1 13 GLY O O -2.543 4.973 1.660 1.00 . A A . 13 GLY O 1 1 5 1882 1 1 14 LYS C C -2.388 3.393 -0.965 1.00 . A A . 14 LYS C 1 1 5 1883 1 1 14 LYS CA C -1.429 4.559 -0.830 1.00 . A A . 14 LYS CA 1 1 5 1884 1 1 14 LYS CB C -0.486 4.704 -2.040 1.00 . A A . 14 LYS CB 1 1 5 1885 1 1 14 LYS CD C 0.574 6.851 -1.157 1.00 . A A . 14 LYS CD 1 1 5 1886 1 1 14 LYS CE C 0.783 8.330 -1.418 1.00 . A A . 14 LYS CE 1 1 5 1887 1 1 14 LYS CG C -0.088 6.161 -2.342 1.00 . A A . 14 LYS CG 1 1 5 1888 1 1 14 LYS H H 0.249 4.346 0.458 1.00 . A A . 14 LYS H 1 1 5 1889 1 1 14 LYS HA H -2.047 5.445 -0.793 1.00 . A A . 14 LYS HA 1 1 5 1890 1 1 14 LYS HB2 H 0.410 4.133 -1.852 1.00 . A A . 14 LYS HB2 1 1 5 1891 1 1 14 LYS HB3 H -0.983 4.302 -2.910 1.00 . A A . 14 LYS HB3 1 1 5 1892 1 1 14 LYS HD2 H -0.040 6.729 -0.277 1.00 . A A . 14 LYS HD2 1 1 5 1893 1 1 14 LYS HD3 H 1.532 6.387 -0.981 1.00 . A A . 14 LYS HD3 1 1 5 1894 1 1 14 LYS HE2 H 1.453 8.453 -2.258 1.00 . A A . 14 LYS HE2 1 1 5 1895 1 1 14 LYS HE3 H -0.171 8.776 -1.658 1.00 . A A . 14 LYS HE3 1 1 5 1896 1 1 14 LYS HG2 H 0.606 6.172 -3.170 1.00 . A A . 14 LYS HG2 1 1 5 1897 1 1 14 LYS HG3 H -0.975 6.713 -2.615 1.00 . A A . 14 LYS HG3 1 1 5 1898 1 1 14 LYS HZ1 H 1.477 10.030 -0.398 1.00 . A A . 14 LYS HZ1 1 1 5 1899 1 1 14 LYS HZ2 H 2.292 8.628 -0.011 1.00 . A A . 14 LYS HZ2 1 1 5 1900 1 1 14 LYS HZ3 H 0.755 8.886 0.601 1.00 . A A . 14 LYS HZ3 1 1 5 1901 1 1 14 LYS N N -0.710 4.564 0.436 1.00 . A A . 14 LYS N 1 1 5 1902 1 1 14 LYS NZ N 1.353 9.007 -0.240 1.00 . A A . 14 LYS NZ 1 1 5 1903 1 1 14 LYS O O -3.452 3.524 -1.567 1.00 . A A . 14 LYS O 1 1 5 1904 1 1 15 ALA C C -4.090 1.321 0.529 1.00 . A A . 15 ALA C 1 1 5 1905 1 1 15 ALA CA C -2.919 1.125 -0.400 1.00 . A A . 15 ALA CA 1 1 5 1906 1 1 15 ALA CB C -2.182 -0.160 -0.067 1.00 . A A . 15 ALA CB 1 1 5 1907 1 1 15 ALA H H -1.186 2.215 0.102 1.00 . A A . 15 ALA H 1 1 5 1908 1 1 15 ALA HA H -3.299 1.055 -1.408 1.00 . A A . 15 ALA HA 1 1 5 1909 1 1 15 ALA HB1 H -1.805 -0.108 0.944 1.00 . A A . 15 ALA HB1 1 1 5 1910 1 1 15 ALA HB2 H -1.364 -0.307 -0.757 1.00 . A A . 15 ALA HB2 1 1 5 1911 1 1 15 ALA HB3 H -2.869 -0.989 -0.149 1.00 . A A . 15 ALA HB3 1 1 5 1912 1 1 15 ALA N N -2.052 2.278 -0.365 1.00 . A A . 15 ALA N 1 1 5 1913 1 1 15 ALA O O -5.141 0.782 0.306 1.00 . A A . 15 ALA O 1 1 5 1914 1 1 16 THR C C -5.973 3.353 1.891 1.00 . A A . 16 THR C 1 1 5 1915 1 1 16 THR CA C -4.988 2.333 2.480 1.00 . A A . 16 THR CA 1 1 5 1916 1 1 16 THR CB C -4.499 2.761 3.871 1.00 . A A . 16 THR CB 1 1 5 1917 1 1 16 THR CG2 C -5.662 2.787 4.848 1.00 . A A . 16 THR CG2 1 1 5 1918 1 1 16 THR H H -3.029 2.488 1.732 1.00 . A A . 16 THR H 1 1 5 1919 1 1 16 THR HA H -5.514 1.395 2.576 1.00 . A A . 16 THR HA 1 1 5 1920 1 1 16 THR HB H -4.056 3.744 3.811 1.00 . A A . 16 THR HB 1 1 5 1921 1 1 16 THR HG1 H -2.679 2.010 3.989 1.00 . A A . 16 THR HG1 1 1 5 1922 1 1 16 THR HG21 H -5.324 3.108 5.821 1.00 . A A . 16 THR HG21 1 1 5 1923 1 1 16 THR HG22 H -6.077 1.791 4.911 1.00 . A A . 16 THR HG22 1 1 5 1924 1 1 16 THR HG23 H -6.420 3.461 4.475 1.00 . A A . 16 THR HG23 1 1 5 1925 1 1 16 THR N N -3.903 2.079 1.574 1.00 . A A . 16 THR N 1 1 5 1926 1 1 16 THR O O -7.174 3.249 2.080 1.00 . A A . 16 THR O 1 1 5 1927 1 1 16 THR OG1 O -3.554 1.788 4.339 1.00 . A A . 16 THR OG1 1 1 5 1928 1 1 17 ILE C C -6.997 4.691 -0.717 1.00 . A A . 17 ILE C 1 1 5 1929 1 1 17 ILE CA C -6.376 5.282 0.574 1.00 . A A . 17 ILE CA 1 1 5 1930 1 1 17 ILE CB C -5.740 6.711 0.355 1.00 . A A . 17 ILE CB 1 1 5 1931 1 1 17 ILE CD1 C -7.904 8.018 0.728 1.00 . A A . 17 ILE CD1 1 1 5 1932 1 1 17 ILE CG1 C -6.755 7.711 -0.211 1.00 . A A . 17 ILE CG1 1 1 5 1933 1 1 17 ILE CG2 C -4.481 6.681 -0.493 1.00 . A A . 17 ILE CG2 1 1 5 1934 1 1 17 ILE H H -4.498 4.456 1.117 1.00 . A A . 17 ILE H 1 1 5 1935 1 1 17 ILE HA H -7.198 5.377 1.269 1.00 . A A . 17 ILE HA 1 1 5 1936 1 1 17 ILE HB H -5.447 7.052 1.337 1.00 . A A . 17 ILE HB 1 1 5 1937 1 1 17 ILE HD11 H -8.565 8.735 0.265 1.00 . A A . 17 ILE HD11 1 1 5 1938 1 1 17 ILE HD12 H -7.513 8.436 1.644 1.00 . A A . 17 ILE HD12 1 1 5 1939 1 1 17 ILE HD13 H -8.451 7.114 0.949 1.00 . A A . 17 ILE HD13 1 1 5 1940 1 1 17 ILE HG12 H -6.255 8.645 -0.422 1.00 . A A . 17 ILE HG12 1 1 5 1941 1 1 17 ILE HG13 H -7.163 7.312 -1.127 1.00 . A A . 17 ILE HG13 1 1 5 1942 1 1 17 ILE HG21 H -3.744 6.070 0.006 1.00 . A A . 17 ILE HG21 1 1 5 1943 1 1 17 ILE HG22 H -4.105 7.687 -0.610 1.00 . A A . 17 ILE HG22 1 1 5 1944 1 1 17 ILE HG23 H -4.706 6.261 -1.463 1.00 . A A . 17 ILE HG23 1 1 5 1945 1 1 17 ILE N N -5.471 4.348 1.193 1.00 . A A . 17 ILE N 1 1 5 1946 1 1 17 ILE O O -8.210 4.620 -0.842 1.00 . A A . 17 ILE O 1 1 5 1947 1 1 18 PHE C C -7.112 2.273 -2.829 1.00 . A A . 18 PHE C 1 1 5 1948 1 1 18 PHE CA C -6.630 3.716 -2.915 1.00 . A A . 18 PHE CA 1 1 5 1949 1 1 18 PHE CB C -5.586 3.879 -4.003 1.00 . A A . 18 PHE CB 1 1 5 1950 1 1 18 PHE CD1 C -6.152 6.231 -4.575 1.00 . A A . 18 PHE CD1 1 1 5 1951 1 1 18 PHE CD2 C -3.877 5.697 -4.135 1.00 . A A . 18 PHE CD2 1 1 5 1952 1 1 18 PHE CE1 C -5.807 7.541 -4.809 1.00 . A A . 18 PHE CE1 1 1 5 1953 1 1 18 PHE CE2 C -3.517 7.008 -4.364 1.00 . A A . 18 PHE CE2 1 1 5 1954 1 1 18 PHE CG C -5.197 5.299 -4.237 1.00 . A A . 18 PHE CG 1 1 5 1955 1 1 18 PHE CZ C -4.485 7.932 -4.704 1.00 . A A . 18 PHE CZ 1 1 5 1956 1 1 18 PHE H H -5.193 4.267 -1.478 1.00 . A A . 18 PHE H 1 1 5 1957 1 1 18 PHE HA H -7.483 4.322 -3.187 1.00 . A A . 18 PHE HA 1 1 5 1958 1 1 18 PHE HB2 H -4.703 3.322 -3.728 1.00 . A A . 18 PHE HB2 1 1 5 1959 1 1 18 PHE HB3 H -5.988 3.484 -4.924 1.00 . A A . 18 PHE HB3 1 1 5 1960 1 1 18 PHE HD1 H -7.182 5.905 -4.638 1.00 . A A . 18 PHE HD1 1 1 5 1961 1 1 18 PHE HD2 H -3.131 4.967 -3.863 1.00 . A A . 18 PHE HD2 1 1 5 1962 1 1 18 PHE HE1 H -6.568 8.262 -5.071 1.00 . A A . 18 PHE HE1 1 1 5 1963 1 1 18 PHE HE2 H -2.484 7.310 -4.279 1.00 . A A . 18 PHE HE2 1 1 5 1964 1 1 18 PHE HZ H -4.208 8.959 -4.890 1.00 . A A . 18 PHE HZ 1 1 5 1965 1 1 18 PHE N N -6.163 4.257 -1.646 1.00 . A A . 18 PHE N 1 1 5 1966 1 1 18 PHE O O -8.265 1.976 -3.109 1.00 . A A . 18 PHE O 1 1 5 1967 1 1 19 GLY C C -7.644 -0.388 -1.510 1.00 . A A . 19 GLY C 1 1 5 1968 1 1 19 GLY CA C -6.476 -0.048 -2.392 1.00 . A A . 19 GLY CA 1 1 5 1969 1 1 19 GLY H H -5.292 1.696 -2.251 1.00 . A A . 19 GLY H 1 1 5 1970 1 1 19 GLY HA2 H -6.661 -0.435 -3.382 1.00 . A A . 19 GLY HA2 1 1 5 1971 1 1 19 GLY HA3 H -5.608 -0.539 -1.973 1.00 . A A . 19 GLY HA3 1 1 5 1972 1 1 19 GLY N N -6.197 1.383 -2.461 1.00 . A A . 19 GLY N 1 1 5 1973 1 1 19 GLY O O -8.526 -1.155 -1.896 1.00 . A A . 19 GLY O 1 1 5 1974 1 1 20 LEU C C -10.018 0.444 0.126 1.00 . A A . 20 LEU C 1 1 5 1975 1 1 20 LEU CA C -8.687 -0.071 0.622 1.00 . A A . 20 LEU CA 1 1 5 1976 1 1 20 LEU CB C -8.375 0.546 1.957 1.00 . A A . 20 LEU CB 1 1 5 1977 1 1 20 LEU CD1 C -7.980 -1.425 3.380 1.00 . A A . 20 LEU CD1 1 1 5 1978 1 1 20 LEU CD2 C -8.972 0.646 4.371 1.00 . A A . 20 LEU CD2 1 1 5 1979 1 1 20 LEU CG C -8.880 -0.229 3.144 1.00 . A A . 20 LEU CG 1 1 5 1980 1 1 20 LEU H H -6.888 0.752 -0.084 1.00 . A A . 20 LEU H 1 1 5 1981 1 1 20 LEU HA H -8.759 -1.142 0.748 1.00 . A A . 20 LEU HA 1 1 5 1982 1 1 20 LEU HB2 H -7.302 0.624 2.038 1.00 . A A . 20 LEU HB2 1 1 5 1983 1 1 20 LEU HB3 H -8.802 1.537 1.989 1.00 . A A . 20 LEU HB3 1 1 5 1984 1 1 20 LEU HD11 H -8.372 -2.039 4.177 1.00 . A A . 20 LEU HD11 1 1 5 1985 1 1 20 LEU HD12 H -7.006 -1.048 3.657 1.00 . A A . 20 LEU HD12 1 1 5 1986 1 1 20 LEU HD13 H -7.888 -1.998 2.467 1.00 . A A . 20 LEU HD13 1 1 5 1987 1 1 20 LEU HD21 H -9.660 1.455 4.177 1.00 . A A . 20 LEU HD21 1 1 5 1988 1 1 20 LEU HD22 H -7.995 1.042 4.603 1.00 . A A . 20 LEU HD22 1 1 5 1989 1 1 20 LEU HD23 H -9.333 0.055 5.198 1.00 . A A . 20 LEU HD23 1 1 5 1990 1 1 20 LEU HG H -9.863 -0.600 2.901 1.00 . A A . 20 LEU HG 1 1 5 1991 1 1 20 LEU N N -7.652 0.180 -0.330 1.00 . A A . 20 LEU N 1 1 5 1992 1 1 20 LEU O O -11.035 -0.127 0.437 1.00 . A A . 20 LEU O 1 1 5 1993 1 1 21 ALA C C -11.919 1.013 -2.136 1.00 . A A . 21 ALA C 1 1 5 1994 1 1 21 ALA CA C -11.235 2.053 -1.247 1.00 . A A . 21 ALA CA 1 1 5 1995 1 1 21 ALA CB C -10.949 3.313 -2.043 1.00 . A A . 21 ALA CB 1 1 5 1996 1 1 21 ALA H H -9.160 1.969 -0.882 1.00 . A A . 21 ALA H 1 1 5 1997 1 1 21 ALA HA H -11.901 2.300 -0.433 1.00 . A A . 21 ALA HA 1 1 5 1998 1 1 21 ALA HB1 H -10.305 3.076 -2.877 1.00 . A A . 21 ALA HB1 1 1 5 1999 1 1 21 ALA HB2 H -10.447 4.029 -1.410 1.00 . A A . 21 ALA HB2 1 1 5 2000 1 1 21 ALA HB3 H -11.876 3.730 -2.409 1.00 . A A . 21 ALA HB3 1 1 5 2001 1 1 21 ALA N N -10.004 1.511 -0.670 1.00 . A A . 21 ALA N 1 1 5 2002 1 1 21 ALA O O -13.132 0.997 -2.270 1.00 . A A . 21 ALA O 1 1 5 2003 1 1 22 ALA C C -12.331 -1.996 -2.703 1.00 . A A . 22 ALA C 1 1 5 2004 1 1 22 ALA CA C -11.666 -0.929 -3.546 1.00 . A A . 22 ALA CA 1 1 5 2005 1 1 22 ALA CB C -10.579 -1.531 -4.405 1.00 . A A . 22 ALA CB 1 1 5 2006 1 1 22 ALA H H -10.168 0.173 -2.549 1.00 . A A . 22 ALA H 1 1 5 2007 1 1 22 ALA HA H -12.423 -0.502 -4.187 1.00 . A A . 22 ALA HA 1 1 5 2008 1 1 22 ALA HB1 H -9.838 -1.983 -3.763 1.00 . A A . 22 ALA HB1 1 1 5 2009 1 1 22 ALA HB2 H -10.124 -0.754 -5.002 1.00 . A A . 22 ALA HB2 1 1 5 2010 1 1 22 ALA HB3 H -11.013 -2.286 -5.044 1.00 . A A . 22 ALA HB3 1 1 5 2011 1 1 22 ALA N N -11.137 0.126 -2.707 1.00 . A A . 22 ALA N 1 1 5 2012 1 1 22 ALA O O -13.271 -2.637 -3.126 1.00 . A A . 22 ALA O 1 1 5 2013 1 1 23 TRP C C -13.466 -2.675 0.228 1.00 . A A . 23 TRP C 1 1 5 2014 1 1 23 TRP CA C -12.358 -3.199 -0.658 1.00 . A A . 23 TRP CA 1 1 5 2015 1 1 23 TRP CB C -11.251 -3.842 0.147 1.00 . A A . 23 TRP CB 1 1 5 2016 1 1 23 TRP CD1 C -11.176 -6.293 0.805 1.00 . A A . 23 TRP CD1 1 1 5 2017 1 1 23 TRP CD2 C -11.124 -5.937 -1.397 1.00 . A A . 23 TRP CD2 1 1 5 2018 1 1 23 TRP CE2 C -11.064 -7.317 -1.179 1.00 . A A . 23 TRP CE2 1 1 5 2019 1 1 23 TRP CE3 C -11.116 -5.459 -2.713 1.00 . A A . 23 TRP CE3 1 1 5 2020 1 1 23 TRP CG C -11.167 -5.303 -0.112 1.00 . A A . 23 TRP CG 1 1 5 2021 1 1 23 TRP CH2 C -11.001 -7.728 -3.503 1.00 . A A . 23 TRP CH2 1 1 5 2022 1 1 23 TRP CZ2 C -10.999 -8.231 -2.230 1.00 . A A . 23 TRP CZ2 1 1 5 2023 1 1 23 TRP CZ3 C -11.060 -6.353 -3.744 1.00 . A A . 23 TRP CZ3 1 1 5 2024 1 1 23 TRP H H -11.077 -1.626 -1.235 1.00 . A A . 23 TRP H 1 1 5 2025 1 1 23 TRP HA H -12.783 -3.958 -1.298 1.00 . A A . 23 TRP HA 1 1 5 2026 1 1 23 TRP HB2 H -10.312 -3.393 -0.141 1.00 . A A . 23 TRP HB2 1 1 5 2027 1 1 23 TRP HB3 H -11.418 -3.677 1.200 1.00 . A A . 23 TRP HB3 1 1 5 2028 1 1 23 TRP HD1 H -11.222 -6.118 1.868 1.00 . A A . 23 TRP HD1 1 1 5 2029 1 1 23 TRP HE1 H -11.057 -8.378 0.647 1.00 . A A . 23 TRP HE1 1 1 5 2030 1 1 23 TRP HE3 H -11.160 -4.400 -2.921 1.00 . A A . 23 TRP HE3 1 1 5 2031 1 1 23 TRP HH2 H -10.962 -8.394 -4.352 1.00 . A A . 23 TRP HH2 1 1 5 2032 1 1 23 TRP HZ2 H -10.951 -9.297 -2.066 1.00 . A A . 23 TRP HZ2 1 1 5 2033 1 1 23 TRP HZ3 H -11.067 -5.978 -4.758 1.00 . A A . 23 TRP HZ3 1 1 5 2034 1 1 23 TRP N N -11.824 -2.190 -1.526 1.00 . A A . 23 TRP N 1 1 5 2035 1 1 23 TRP NE1 N -11.087 -7.513 0.179 1.00 . A A . 23 TRP NE1 1 1 5 2036 1 1 23 TRP O O -14.481 -3.301 0.380 1.00 . A A . 23 TRP O 1 1 5 2037 1 1 24 ALA C C -15.367 -0.302 0.915 1.00 . A A . 24 ALA C 1 1 5 2038 1 1 24 ALA CA C -14.213 -0.952 1.692 1.00 . A A . 24 ALA CA 1 1 5 2039 1 1 24 ALA CB C -13.537 0.051 2.604 1.00 . A A . 24 ALA CB 1 1 5 2040 1 1 24 ALA H H -12.391 -1.081 0.667 1.00 . A A . 24 ALA H 1 1 5 2041 1 1 24 ALA HA H -14.593 -1.754 2.308 1.00 . A A . 24 ALA HA 1 1 5 2042 1 1 24 ALA HB1 H -14.249 0.460 3.305 1.00 . A A . 24 ALA HB1 1 1 5 2043 1 1 24 ALA HB2 H -13.126 0.845 1.998 1.00 . A A . 24 ALA HB2 1 1 5 2044 1 1 24 ALA HB3 H -12.737 -0.438 3.141 1.00 . A A . 24 ALA HB3 1 1 5 2045 1 1 24 ALA N N -13.245 -1.546 0.818 1.00 . A A . 24 ALA N 1 1 5 2046 1 1 24 ALA O O -16.525 -0.582 1.152 1.00 . A A . 24 ALA O 1 1 5 2047 1 1 25 LEU C C -16.622 0.668 -1.924 1.00 . A A . 25 LEU C 1 1 5 2048 1 1 25 LEU CA C -16.013 1.382 -0.712 1.00 . A A . 25 LEU CA 1 1 5 2049 1 1 25 LEU CB C -15.418 2.715 -1.157 1.00 . A A . 25 LEU CB 1 1 5 2050 1 1 25 LEU CD1 C -14.366 4.922 -0.641 1.00 . A A . 25 LEU CD1 1 1 5 2051 1 1 25 LEU CD2 C -15.927 3.882 1.001 1.00 . A A . 25 LEU CD2 1 1 5 2052 1 1 25 LEU CG C -14.876 3.620 -0.058 1.00 . A A . 25 LEU CG 1 1 5 2053 1 1 25 LEU H H -14.072 0.758 -0.153 1.00 . A A . 25 LEU H 1 1 5 2054 1 1 25 LEU HA H -16.809 1.607 -0.019 1.00 . A A . 25 LEU HA 1 1 5 2055 1 1 25 LEU HB2 H -14.591 2.485 -1.817 1.00 . A A . 25 LEU HB2 1 1 5 2056 1 1 25 LEU HB3 H -16.178 3.244 -1.710 1.00 . A A . 25 LEU HB3 1 1 5 2057 1 1 25 LEU HD11 H -15.172 5.438 -1.141 1.00 . A A . 25 LEU HD11 1 1 5 2058 1 1 25 LEU HD12 H -13.578 4.722 -1.352 1.00 . A A . 25 LEU HD12 1 1 5 2059 1 1 25 LEU HD13 H -13.987 5.543 0.157 1.00 . A A . 25 LEU HD13 1 1 5 2060 1 1 25 LEU HD21 H -16.227 2.949 1.451 1.00 . A A . 25 LEU HD21 1 1 5 2061 1 1 25 LEU HD22 H -16.782 4.356 0.546 1.00 . A A . 25 LEU HD22 1 1 5 2062 1 1 25 LEU HD23 H -15.507 4.528 1.759 1.00 . A A . 25 LEU HD23 1 1 5 2063 1 1 25 LEU HG H -14.044 3.113 0.407 1.00 . A A . 25 LEU HG 1 1 5 2064 1 1 25 LEU N N -15.024 0.603 0.023 1.00 . A A . 25 LEU N 1 1 5 2065 1 1 25 LEU O O -17.755 0.943 -2.300 1.00 . A A . 25 LEU O 1 1 5 2066 1 1 26 LEU C C -16.831 -2.216 -3.595 1.00 . A A . 26 LEU C 1 1 5 2067 1 1 26 LEU CA C -16.281 -0.813 -3.801 1.00 . A A . 26 LEU CA 1 1 5 2068 1 1 26 LEU CB C -15.091 -0.816 -4.767 1.00 . A A . 26 LEU CB 1 1 5 2069 1 1 26 LEU CD1 C -16.275 -0.735 -6.985 1.00 . A A . 26 LEU CD1 1 1 5 2070 1 1 26 LEU CD2 C -13.914 -1.599 -6.830 1.00 . A A . 26 LEU CD2 1 1 5 2071 1 1 26 LEU CG C -15.264 -1.478 -6.127 1.00 . A A . 26 LEU CG 1 1 5 2072 1 1 26 LEU H H -14.978 -0.418 -2.197 1.00 . A A . 26 LEU H 1 1 5 2073 1 1 26 LEU HA H -17.060 -0.206 -4.226 1.00 . A A . 26 LEU HA 1 1 5 2074 1 1 26 LEU HB2 H -14.782 0.204 -4.934 1.00 . A A . 26 LEU HB2 1 1 5 2075 1 1 26 LEU HB3 H -14.291 -1.328 -4.255 1.00 . A A . 26 LEU HB3 1 1 5 2076 1 1 26 LEU HD11 H -17.235 -0.728 -6.489 1.00 . A A . 26 LEU HD11 1 1 5 2077 1 1 26 LEU HD12 H -16.361 -1.218 -7.948 1.00 . A A . 26 LEU HD12 1 1 5 2078 1 1 26 LEU HD13 H -15.938 0.280 -7.130 1.00 . A A . 26 LEU HD13 1 1 5 2079 1 1 26 LEU HD21 H -13.261 -2.238 -6.251 1.00 . A A . 26 LEU HD21 1 1 5 2080 1 1 26 LEU HD22 H -13.465 -0.621 -6.922 1.00 . A A . 26 LEU HD22 1 1 5 2081 1 1 26 LEU HD23 H -14.044 -2.020 -7.816 1.00 . A A . 26 LEU HD23 1 1 5 2082 1 1 26 LEU HG H -15.637 -2.473 -5.944 1.00 . A A . 26 LEU HG 1 1 5 2083 1 1 26 LEU N N -15.859 -0.190 -2.555 1.00 . A A . 26 LEU N 1 1 5 2084 1 1 26 LEU O O -17.565 -2.739 -4.442 1.00 . A A . 26 LEU O 1 1 5 2085 1 1 27 ALA C C -17.889 -4.244 -1.065 1.00 . A A . 27 ALA C 1 1 5 2086 1 1 27 ALA CA C -16.900 -4.158 -2.229 1.00 . A A . 27 ALA CA 1 1 5 2087 1 1 27 ALA CB C -15.679 -5.028 -1.994 1.00 . A A . 27 ALA CB 1 1 5 2088 1 1 27 ALA H H -15.985 -2.279 -1.849 1.00 . A A . 27 ALA H 1 1 5 2089 1 1 27 ALA HA H -17.399 -4.519 -3.116 1.00 . A A . 27 ALA HA 1 1 5 2090 1 1 27 ALA HB1 H -14.979 -4.906 -2.807 1.00 . A A . 27 ALA HB1 1 1 5 2091 1 1 27 ALA HB2 H -15.987 -6.061 -1.950 1.00 . A A . 27 ALA HB2 1 1 5 2092 1 1 27 ALA HB3 H -15.207 -4.749 -1.063 1.00 . A A . 27 ALA HB3 1 1 5 2093 1 1 27 ALA N N -16.499 -2.797 -2.498 1.00 . A A . 27 ALA N 1 1 5 2094 1 1 27 ALA O O -19.099 -4.099 -1.310 1.00 . A A . 27 ALA O 1 1 5 2095 1 1 27 ALA OXT O -17.464 -4.481 0.071 1.00 . A A . 27 ALA OXT 1 1 6 2096 1 1 1 ARG C C -14.393 -6.856 1.920 1.00 . A A . 1 ARG C 1 1 6 2097 1 1 1 ARG CA C -14.276 -8.339 1.783 1.00 . A A . 1 ARG CA 1 1 6 2098 1 1 1 ARG CB C -13.022 -8.670 0.951 1.00 . A A . 1 ARG CB 1 1 6 2099 1 1 1 ARG CD C -11.420 -10.402 0.114 1.00 . A A . 1 ARG CD 1 1 6 2100 1 1 1 ARG CG C -12.792 -10.143 0.712 1.00 . A A . 1 ARG CG 1 1 6 2101 1 1 1 ARG CZ C -10.173 -12.525 0.527 1.00 . A A . 1 ARG CZ 1 1 6 2102 1 1 1 ARG H1 H -15.639 -8.371 0.226 1.00 . A A . 1 ARG H1 1 1 6 2103 1 1 1 ARG H2 H -16.314 -8.568 1.727 1.00 . A A . 1 ARG H2 1 1 6 2104 1 1 1 ARG H3 H -15.493 -9.861 1.017 1.00 . A A . 1 ARG H3 1 1 6 2105 1 1 1 ARG HA H -14.198 -8.788 2.761 1.00 . A A . 1 ARG HA 1 1 6 2106 1 1 1 ARG HB2 H -13.107 -8.186 -0.012 1.00 . A A . 1 ARG HB2 1 1 6 2107 1 1 1 ARG HB3 H -12.155 -8.266 1.456 1.00 . A A . 1 ARG HB3 1 1 6 2108 1 1 1 ARG HD2 H -11.359 -9.919 -0.848 1.00 . A A . 1 ARG HD2 1 1 6 2109 1 1 1 ARG HD3 H -10.673 -9.993 0.774 1.00 . A A . 1 ARG HD3 1 1 6 2110 1 1 1 ARG HE H -11.829 -12.286 -0.639 1.00 . A A . 1 ARG HE 1 1 6 2111 1 1 1 ARG HG2 H -12.883 -10.682 1.642 1.00 . A A . 1 ARG HG2 1 1 6 2112 1 1 1 ARG HG3 H -13.545 -10.490 0.018 1.00 . A A . 1 ARG HG3 1 1 6 2113 1 1 1 ARG HH11 H -9.213 -10.901 1.368 1.00 . A A . 1 ARG HH11 1 1 6 2114 1 1 1 ARG HH12 H -8.497 -12.381 1.717 1.00 . A A . 1 ARG HH12 1 1 6 2115 1 1 1 ARG HH21 H -10.750 -14.366 -0.176 1.00 . A A . 1 ARG HH21 1 1 6 2116 1 1 1 ARG HH22 H -9.363 -14.356 0.823 1.00 . A A . 1 ARG HH22 1 1 6 2117 1 1 1 ARG N N -15.493 -8.834 1.144 1.00 . A A . 1 ARG N 1 1 6 2118 1 1 1 ARG NE N -11.170 -11.837 -0.059 1.00 . A A . 1 ARG NE 1 1 6 2119 1 1 1 ARG NH1 N -9.239 -11.896 1.238 1.00 . A A . 1 ARG NH1 1 1 6 2120 1 1 1 ARG NH2 N -10.094 -13.835 0.370 1.00 . A A . 1 ARG NH2 1 1 6 2121 1 1 1 ARG O O -15.406 -6.281 1.540 1.00 . A A . 1 ARG O 1 1 6 2122 1 1 2 ASN C C -12.841 -4.269 1.222 1.00 . A A . 2 ASN C 1 1 6 2123 1 1 2 ASN CA C -13.334 -4.795 2.541 1.00 . A A . 2 ASN CA 1 1 6 2124 1 1 2 ASN CB C -12.382 -4.313 3.651 1.00 . A A . 2 ASN CB 1 1 6 2125 1 1 2 ASN CG C -12.793 -4.688 5.059 1.00 . A A . 2 ASN CG 1 1 6 2126 1 1 2 ASN H H -12.609 -6.742 2.794 1.00 . A A . 2 ASN H 1 1 6 2127 1 1 2 ASN HA H -14.333 -4.435 2.735 1.00 . A A . 2 ASN HA 1 1 6 2128 1 1 2 ASN HB2 H -11.403 -4.737 3.484 1.00 . A A . 2 ASN HB2 1 1 6 2129 1 1 2 ASN HB3 H -12.297 -3.237 3.598 1.00 . A A . 2 ASN HB3 1 1 6 2130 1 1 2 ASN HD21 H -11.721 -6.345 4.978 1.00 . A A . 2 ASN HD21 1 1 6 2131 1 1 2 ASN HD22 H -12.545 -6.044 6.470 1.00 . A A . 2 ASN HD22 1 1 6 2132 1 1 2 ASN N N -13.379 -6.234 2.457 1.00 . A A . 2 ASN N 1 1 6 2133 1 1 2 ASN ND2 N -12.313 -5.805 5.545 1.00 . A A . 2 ASN ND2 1 1 6 2134 1 1 2 ASN O O -11.709 -4.522 0.848 1.00 . A A . 2 ASN O 1 1 6 2135 1 1 2 ASN OD1 O -13.519 -3.959 5.715 1.00 . A A . 2 ASN OD1 1 1 6 2136 1 1 3 LYS C C -13.993 -1.707 -0.914 1.00 . A A . 3 LYS C 1 1 6 2137 1 1 3 LYS CA C -13.291 -3.030 -0.756 1.00 . A A . 3 LYS CA 1 1 6 2138 1 1 3 LYS CB C -13.668 -3.926 -1.910 1.00 . A A . 3 LYS CB 1 1 6 2139 1 1 3 LYS CD C -13.839 -4.035 -4.406 1.00 . A A . 3 LYS CD 1 1 6 2140 1 1 3 LYS CE C -15.265 -3.498 -4.425 1.00 . A A . 3 LYS CE 1 1 6 2141 1 1 3 LYS CG C -13.094 -3.460 -3.232 1.00 . A A . 3 LYS CG 1 1 6 2142 1 1 3 LYS H H -14.618 -3.495 0.770 1.00 . A A . 3 LYS H 1 1 6 2143 1 1 3 LYS HA H -12.223 -2.877 -0.756 1.00 . A A . 3 LYS HA 1 1 6 2144 1 1 3 LYS HB2 H -13.304 -4.922 -1.701 1.00 . A A . 3 LYS HB2 1 1 6 2145 1 1 3 LYS HB3 H -14.746 -3.944 -1.980 1.00 . A A . 3 LYS HB3 1 1 6 2146 1 1 3 LYS HD2 H -13.330 -3.754 -5.316 1.00 . A A . 3 LYS HD2 1 1 6 2147 1 1 3 LYS HD3 H -13.865 -5.112 -4.321 1.00 . A A . 3 LYS HD3 1 1 6 2148 1 1 3 LYS HE2 H -15.792 -3.872 -3.562 1.00 . A A . 3 LYS HE2 1 1 6 2149 1 1 3 LYS HE3 H -15.224 -2.421 -4.356 1.00 . A A . 3 LYS HE3 1 1 6 2150 1 1 3 LYS HG2 H -13.162 -2.382 -3.272 1.00 . A A . 3 LYS HG2 1 1 6 2151 1 1 3 LYS HG3 H -12.057 -3.757 -3.280 1.00 . A A . 3 LYS HG3 1 1 6 2152 1 1 3 LYS HZ1 H -16.979 -3.530 -5.555 1.00 . A A . 3 LYS HZ1 1 1 6 2153 1 1 3 LYS HZ2 H -16.060 -4.916 -5.764 1.00 . A A . 3 LYS HZ2 1 1 6 2154 1 1 3 LYS HZ3 H -15.593 -3.457 -6.474 1.00 . A A . 3 LYS HZ3 1 1 6 2155 1 1 3 LYS N N -13.686 -3.609 0.488 1.00 . A A . 3 LYS N 1 1 6 2156 1 1 3 LYS NZ N -16.004 -3.888 -5.623 1.00 . A A . 3 LYS NZ 1 1 6 2157 1 1 3 LYS O O -15.169 -1.597 -0.603 1.00 . A A . 3 LYS O 1 1 6 2158 1 1 4 LEU C C -12.639 1.375 -2.238 1.00 . A A . 4 LEU C 1 1 6 2159 1 1 4 LEU CA C -13.761 0.617 -1.578 1.00 . A A . 4 LEU CA 1 1 6 2160 1 1 4 LEU CB C -14.071 1.217 -0.187 1.00 . A A . 4 LEU CB 1 1 6 2161 1 1 4 LEU CD1 C -16.161 2.511 -0.720 1.00 . A A . 4 LEU CD1 1 1 6 2162 1 1 4 LEU CD2 C -14.799 3.100 1.286 1.00 . A A . 4 LEU CD2 1 1 6 2163 1 1 4 LEU CG C -14.756 2.584 -0.137 1.00 . A A . 4 LEU CG 1 1 6 2164 1 1 4 LEU H H -12.351 -0.883 -1.695 1.00 . A A . 4 LEU H 1 1 6 2165 1 1 4 LEU HA H -14.636 0.656 -2.211 1.00 . A A . 4 LEU HA 1 1 6 2166 1 1 4 LEU HB2 H -14.722 0.501 0.290 1.00 . A A . 4 LEU HB2 1 1 6 2167 1 1 4 LEU HB3 H -13.151 1.264 0.379 1.00 . A A . 4 LEU HB3 1 1 6 2168 1 1 4 LEU HD11 H -16.762 1.811 -0.161 1.00 . A A . 4 LEU HD11 1 1 6 2169 1 1 4 LEU HD12 H -16.115 2.197 -1.752 1.00 . A A . 4 LEU HD12 1 1 6 2170 1 1 4 LEU HD13 H -16.614 3.490 -0.667 1.00 . A A . 4 LEU HD13 1 1 6 2171 1 1 4 LEU HD21 H -13.791 3.146 1.671 1.00 . A A . 4 LEU HD21 1 1 6 2172 1 1 4 LEU HD22 H -15.396 2.434 1.891 1.00 . A A . 4 LEU HD22 1 1 6 2173 1 1 4 LEU HD23 H -15.232 4.089 1.292 1.00 . A A . 4 LEU HD23 1 1 6 2174 1 1 4 LEU HG H -14.178 3.278 -0.729 1.00 . A A . 4 LEU HG 1 1 6 2175 1 1 4 LEU N N -13.276 -0.726 -1.408 1.00 . A A . 4 LEU N 1 1 6 2176 1 1 4 LEU O O -11.514 0.849 -2.306 1.00 . A A . 4 LEU O 1 1 6 2177 1 1 5 ALA C C -10.835 3.769 -2.317 1.00 . A A . 5 ALA C 1 1 6 2178 1 1 5 ALA CA C -11.895 3.393 -3.342 1.00 . A A . 5 ALA CA 1 1 6 2179 1 1 5 ALA CB C -12.517 4.623 -3.956 1.00 . A A . 5 ALA CB 1 1 6 2180 1 1 5 ALA H H -13.849 2.863 -2.735 1.00 . A A . 5 ALA H 1 1 6 2181 1 1 5 ALA HA H -11.430 2.808 -4.117 1.00 . A A . 5 ALA HA 1 1 6 2182 1 1 5 ALA HB1 H -11.794 5.159 -4.553 1.00 . A A . 5 ALA HB1 1 1 6 2183 1 1 5 ALA HB2 H -12.855 5.260 -3.153 1.00 . A A . 5 ALA HB2 1 1 6 2184 1 1 5 ALA HB3 H -13.362 4.326 -4.559 1.00 . A A . 5 ALA HB3 1 1 6 2185 1 1 5 ALA N N -12.914 2.556 -2.734 1.00 . A A . 5 ALA N 1 1 6 2186 1 1 5 ALA O O -9.648 3.877 -2.619 1.00 . A A . 5 ALA O 1 1 6 2187 1 1 6 TYR C C -9.709 2.980 0.509 1.00 . A A . 6 TYR C 1 1 6 2188 1 1 6 TYR CA C -10.365 4.233 -0.007 1.00 . A A . 6 TYR CA 1 1 6 2189 1 1 6 TYR CB C -11.041 5.004 1.109 1.00 . A A . 6 TYR CB 1 1 6 2190 1 1 6 TYR CD1 C -10.336 7.391 0.958 1.00 . A A . 6 TYR CD1 1 1 6 2191 1 1 6 TYR CD2 C -12.497 6.817 0.155 1.00 . A A . 6 TYR CD2 1 1 6 2192 1 1 6 TYR CE1 C -10.544 8.698 0.611 1.00 . A A . 6 TYR CE1 1 1 6 2193 1 1 6 TYR CE2 C -12.718 8.128 -0.195 1.00 . A A . 6 TYR CE2 1 1 6 2194 1 1 6 TYR CG C -11.303 6.430 0.738 1.00 . A A . 6 TYR CG 1 1 6 2195 1 1 6 TYR CZ C -11.735 9.067 0.035 1.00 . A A . 6 TYR CZ 1 1 6 2196 1 1 6 TYR H H -12.240 3.902 -0.960 1.00 . A A . 6 TYR H 1 1 6 2197 1 1 6 TYR HA H -9.591 4.855 -0.431 1.00 . A A . 6 TYR HA 1 1 6 2198 1 1 6 TYR HB2 H -11.988 4.532 1.327 1.00 . A A . 6 TYR HB2 1 1 6 2199 1 1 6 TYR HB3 H -10.413 4.987 1.988 1.00 . A A . 6 TYR HB3 1 1 6 2200 1 1 6 TYR HD1 H -9.401 7.095 1.411 1.00 . A A . 6 TYR HD1 1 1 6 2201 1 1 6 TYR HD2 H -13.258 6.073 -0.018 1.00 . A A . 6 TYR HD2 1 1 6 2202 1 1 6 TYR HE1 H -9.764 9.419 0.801 1.00 . A A . 6 TYR HE1 1 1 6 2203 1 1 6 TYR HE2 H -13.655 8.418 -0.646 1.00 . A A . 6 TYR HE2 1 1 6 2204 1 1 6 TYR HH H -12.871 10.569 -0.138 1.00 . A A . 6 TYR HH 1 1 6 2205 1 1 6 TYR N N -11.273 3.948 -1.101 1.00 . A A . 6 TYR N 1 1 6 2206 1 1 6 TYR O O -8.730 3.035 1.229 1.00 . A A . 6 TYR O 1 1 6 2207 1 1 6 TYR OH O -11.944 10.369 -0.320 1.00 . A A . 6 TYR OH 1 1 6 2208 1 1 7 ASN C C -8.497 0.336 -0.391 1.00 . A A . 7 ASN C 1 1 6 2209 1 1 7 ASN CA C -9.650 0.617 0.543 1.00 . A A . 7 ASN CA 1 1 6 2210 1 1 7 ASN CB C -10.628 -0.556 0.536 1.00 . A A . 7 ASN CB 1 1 6 2211 1 1 7 ASN CG C -9.966 -1.842 1.010 1.00 . A A . 7 ASN CG 1 1 6 2212 1 1 7 ASN H H -11.070 1.881 -0.373 1.00 . A A . 7 ASN H 1 1 6 2213 1 1 7 ASN HA H -9.256 0.745 1.537 1.00 . A A . 7 ASN HA 1 1 6 2214 1 1 7 ASN HB2 H -11.459 -0.326 1.187 1.00 . A A . 7 ASN HB2 1 1 6 2215 1 1 7 ASN HB3 H -11.003 -0.708 -0.466 1.00 . A A . 7 ASN HB3 1 1 6 2216 1 1 7 ASN HD21 H -10.615 -1.525 2.847 1.00 . A A . 7 ASN HD21 1 1 6 2217 1 1 7 ASN HD22 H -9.655 -2.932 2.627 1.00 . A A . 7 ASN HD22 1 1 6 2218 1 1 7 ASN N N -10.266 1.860 0.179 1.00 . A A . 7 ASN N 1 1 6 2219 1 1 7 ASN ND2 N -10.095 -2.128 2.278 1.00 . A A . 7 ASN ND2 1 1 6 2220 1 1 7 ASN O O -7.358 0.269 0.012 1.00 . A A . 7 ASN O 1 1 6 2221 1 1 7 ASN OD1 O -9.381 -2.581 0.226 1.00 . A A . 7 ASN OD1 1 1 6 2222 1 1 8 MET C C -6.913 1.034 -3.008 1.00 . A A . 8 MET C 1 1 6 2223 1 1 8 MET CA C -7.816 -0.125 -2.650 1.00 . A A . 8 MET CA 1 1 6 2224 1 1 8 MET CB C -8.442 -0.768 -3.889 1.00 . A A . 8 MET CB 1 1 6 2225 1 1 8 MET CE C -6.908 -3.272 -2.114 1.00 . A A . 8 MET CE 1 1 6 2226 1 1 8 MET CG C -9.064 -2.160 -3.669 1.00 . A A . 8 MET CG 1 1 6 2227 1 1 8 MET H H -9.741 0.386 -1.931 1.00 . A A . 8 MET H 1 1 6 2228 1 1 8 MET HA H -7.189 -0.862 -2.171 1.00 . A A . 8 MET HA 1 1 6 2229 1 1 8 MET HB2 H -9.226 -0.119 -4.248 1.00 . A A . 8 MET HB2 1 1 6 2230 1 1 8 MET HB3 H -7.687 -0.857 -4.655 1.00 . A A . 8 MET HB3 1 1 6 2231 1 1 8 MET HE1 H -7.565 -3.067 -1.281 1.00 . A A . 8 MET HE1 1 1 6 2232 1 1 8 MET HE2 H -6.192 -2.475 -2.248 1.00 . A A . 8 MET HE2 1 1 6 2233 1 1 8 MET HE3 H -6.355 -4.174 -1.892 1.00 . A A . 8 MET HE3 1 1 6 2234 1 1 8 MET HG2 H -9.602 -2.146 -2.733 1.00 . A A . 8 MET HG2 1 1 6 2235 1 1 8 MET HG3 H -9.769 -2.340 -4.468 1.00 . A A . 8 MET HG3 1 1 6 2236 1 1 8 MET N N -8.811 0.219 -1.660 1.00 . A A . 8 MET N 1 1 6 2237 1 1 8 MET O O -5.738 0.983 -2.737 1.00 . A A . 8 MET O 1 1 6 2238 1 1 8 MET SD S -7.876 -3.556 -3.613 1.00 . A A . 8 MET SD 1 1 6 2239 1 1 9 GLY C C -5.903 3.927 -2.922 1.00 . A A . 9 GLY C 1 1 6 2240 1 1 9 GLY CA C -6.691 3.230 -4.013 1.00 . A A . 9 GLY CA 1 1 6 2241 1 1 9 GLY H H -8.459 2.126 -3.667 1.00 . A A . 9 GLY H 1 1 6 2242 1 1 9 GLY HA2 H -5.997 2.880 -4.763 1.00 . A A . 9 GLY HA2 1 1 6 2243 1 1 9 GLY HA3 H -7.360 3.945 -4.470 1.00 . A A . 9 GLY HA3 1 1 6 2244 1 1 9 GLY N N -7.482 2.097 -3.549 1.00 . A A . 9 GLY N 1 1 6 2245 1 1 9 GLY O O -4.710 4.212 -3.090 1.00 . A A . 9 GLY O 1 1 6 2246 1 1 10 HIS C C -4.788 4.021 -0.090 1.00 . A A . 10 HIS C 1 1 6 2247 1 1 10 HIS CA C -5.910 4.877 -0.694 1.00 . A A . 10 HIS CA 1 1 6 2248 1 1 10 HIS CB C -6.956 5.270 0.340 1.00 . A A . 10 HIS CB 1 1 6 2249 1 1 10 HIS CD2 C -6.565 5.865 2.815 1.00 . A A . 10 HIS CD2 1 1 6 2250 1 1 10 HIS CE1 C -5.284 7.569 2.530 1.00 . A A . 10 HIS CE1 1 1 6 2251 1 1 10 HIS CG C -6.424 6.051 1.484 1.00 . A A . 10 HIS CG 1 1 6 2252 1 1 10 HIS H H -7.489 3.897 -1.738 1.00 . A A . 10 HIS H 1 1 6 2253 1 1 10 HIS HA H -5.424 5.781 -1.043 1.00 . A A . 10 HIS HA 1 1 6 2254 1 1 10 HIS HB2 H -7.717 5.866 -0.141 1.00 . A A . 10 HIS HB2 1 1 6 2255 1 1 10 HIS HB3 H -7.405 4.369 0.729 1.00 . A A . 10 HIS HB3 1 1 6 2256 1 1 10 HIS HD1 H -5.316 7.548 0.498 1.00 . A A . 10 HIS HD1 1 1 6 2257 1 1 10 HIS HD2 H -7.165 5.102 3.287 1.00 . A A . 10 HIS HD2 1 1 6 2258 1 1 10 HIS HE1 H -4.626 8.412 2.656 1.00 . A A . 10 HIS HE1 1 1 6 2259 1 1 10 HIS N N -6.552 4.187 -1.807 1.00 . A A . 10 HIS N 1 1 6 2260 1 1 10 HIS ND1 N -5.616 7.136 1.338 1.00 . A A . 10 HIS ND1 1 1 6 2261 1 1 10 HIS NE2 N -5.830 6.837 3.481 1.00 . A A . 10 HIS NE2 1 1 6 2262 1 1 10 HIS O O -3.689 4.526 0.175 1.00 . A A . 10 HIS O 1 1 6 2263 1 1 11 TYR C C -2.929 1.563 -0.400 1.00 . A A . 11 TYR C 1 1 6 2264 1 1 11 TYR CA C -4.005 1.848 0.599 1.00 . A A . 11 TYR CA 1 1 6 2265 1 1 11 TYR CB C -4.551 0.562 1.176 1.00 . A A . 11 TYR CB 1 1 6 2266 1 1 11 TYR CD1 C -4.168 0.697 3.622 1.00 . A A . 11 TYR CD1 1 1 6 2267 1 1 11 TYR CD2 C -6.408 0.869 2.857 1.00 . A A . 11 TYR CD2 1 1 6 2268 1 1 11 TYR CE1 C -4.580 0.827 4.913 1.00 . A A . 11 TYR CE1 1 1 6 2269 1 1 11 TYR CE2 C -6.843 1.002 4.157 1.00 . A A . 11 TYR CE2 1 1 6 2270 1 1 11 TYR CG C -5.061 0.714 2.575 1.00 . A A . 11 TYR CG 1 1 6 2271 1 1 11 TYR CZ C -5.929 0.979 5.184 1.00 . A A . 11 TYR CZ 1 1 6 2272 1 1 11 TYR H H -5.919 2.364 -0.142 1.00 . A A . 11 TYR H 1 1 6 2273 1 1 11 TYR HA H -3.531 2.394 1.401 1.00 . A A . 11 TYR HA 1 1 6 2274 1 1 11 TYR HB2 H -5.366 0.228 0.555 1.00 . A A . 11 TYR HB2 1 1 6 2275 1 1 11 TYR HB3 H -3.772 -0.186 1.173 1.00 . A A . 11 TYR HB3 1 1 6 2276 1 1 11 TYR HD1 H -3.116 0.579 3.412 1.00 . A A . 11 TYR HD1 1 1 6 2277 1 1 11 TYR HD2 H -7.122 0.887 2.044 1.00 . A A . 11 TYR HD2 1 1 6 2278 1 1 11 TYR HE1 H -3.822 0.800 5.681 1.00 . A A . 11 TYR HE1 1 1 6 2279 1 1 11 TYR HE2 H -7.895 1.119 4.366 1.00 . A A . 11 TYR HE2 1 1 6 2280 1 1 11 TYR HH H -5.773 1.747 6.913 1.00 . A A . 11 TYR HH 1 1 6 2281 1 1 11 TYR N N -5.036 2.730 0.082 1.00 . A A . 11 TYR N 1 1 6 2282 1 1 11 TYR O O -1.781 1.440 -0.019 1.00 . A A . 11 TYR O 1 1 6 2283 1 1 11 TYR OH O -6.359 1.111 6.480 1.00 . A A . 11 TYR OH 1 1 6 2284 1 1 12 ALA C C -1.302 2.366 -2.724 1.00 . A A . 12 ALA C 1 1 6 2285 1 1 12 ALA CA C -2.309 1.243 -2.723 1.00 . A A . 12 ALA CA 1 1 6 2286 1 1 12 ALA CB C -2.973 1.120 -4.087 1.00 . A A . 12 ALA CB 1 1 6 2287 1 1 12 ALA H H -4.238 1.522 -1.923 1.00 . A A . 12 ALA H 1 1 6 2288 1 1 12 ALA HA H -1.795 0.320 -2.500 1.00 . A A . 12 ALA HA 1 1 6 2289 1 1 12 ALA HB1 H -3.477 2.046 -4.326 1.00 . A A . 12 ALA HB1 1 1 6 2290 1 1 12 ALA HB2 H -3.692 0.314 -4.057 1.00 . A A . 12 ALA HB2 1 1 6 2291 1 1 12 ALA HB3 H -2.226 0.907 -4.837 1.00 . A A . 12 ALA HB3 1 1 6 2292 1 1 12 ALA N N -3.288 1.466 -1.672 1.00 . A A . 12 ALA N 1 1 6 2293 1 1 12 ALA O O -0.108 2.129 -2.827 1.00 . A A . 12 ALA O 1 1 6 2294 1 1 13 GLY C C 0.014 4.653 -1.287 1.00 . A A . 13 GLY C 1 1 6 2295 1 1 13 GLY CA C -0.913 4.731 -2.488 1.00 . A A . 13 GLY CA 1 1 6 2296 1 1 13 GLY H H -2.765 3.705 -2.488 1.00 . A A . 13 GLY H 1 1 6 2297 1 1 13 GLY HA2 H -0.315 4.782 -3.387 1.00 . A A . 13 GLY HA2 1 1 6 2298 1 1 13 GLY HA3 H -1.506 5.629 -2.405 1.00 . A A . 13 GLY HA3 1 1 6 2299 1 1 13 GLY N N -1.791 3.588 -2.557 1.00 . A A . 13 GLY N 1 1 6 2300 1 1 13 GLY O O 1.228 4.791 -1.422 1.00 . A A . 13 GLY O 1 1 6 2301 1 1 14 LYS C C 1.186 3.129 1.139 1.00 . A A . 14 LYS C 1 1 6 2302 1 1 14 LYS CA C 0.216 4.282 1.115 1.00 . A A . 14 LYS CA 1 1 6 2303 1 1 14 LYS CB C -0.699 4.276 2.349 1.00 . A A . 14 LYS CB 1 1 6 2304 1 1 14 LYS CD C -1.552 6.609 1.875 1.00 . A A . 14 LYS CD 1 1 6 2305 1 1 14 LYS CE C -1.603 8.023 2.399 1.00 . A A . 14 LYS CE 1 1 6 2306 1 1 14 LYS CG C -0.983 5.665 2.916 1.00 . A A . 14 LYS CG 1 1 6 2307 1 1 14 LYS H H -1.512 4.141 -0.120 1.00 . A A . 14 LYS H 1 1 6 2308 1 1 14 LYS HA H 0.813 5.182 1.151 1.00 . A A . 14 LYS HA 1 1 6 2309 1 1 14 LYS HB2 H -1.643 3.828 2.074 1.00 . A A . 14 LYS HB2 1 1 6 2310 1 1 14 LYS HB3 H -0.239 3.684 3.126 1.00 . A A . 14 LYS HB3 1 1 6 2311 1 1 14 LYS HD2 H -0.939 6.577 0.986 1.00 . A A . 14 LYS HD2 1 1 6 2312 1 1 14 LYS HD3 H -2.557 6.294 1.630 1.00 . A A . 14 LYS HD3 1 1 6 2313 1 1 14 LYS HE2 H -2.280 8.060 3.239 1.00 . A A . 14 LYS HE2 1 1 6 2314 1 1 14 LYS HE3 H -0.616 8.309 2.729 1.00 . A A . 14 LYS HE3 1 1 6 2315 1 1 14 LYS HG2 H -1.684 5.568 3.731 1.00 . A A . 14 LYS HG2 1 1 6 2316 1 1 14 LYS HG3 H -0.056 6.069 3.299 1.00 . A A . 14 LYS HG3 1 1 6 2317 1 1 14 LYS HZ1 H -1.420 8.994 0.557 1.00 . A A . 14 LYS HZ1 1 1 6 2318 1 1 14 LYS HZ2 H -2.073 9.938 1.767 1.00 . A A . 14 LYS HZ2 1 1 6 2319 1 1 14 LYS HZ3 H -3.019 8.762 1.038 1.00 . A A . 14 LYS HZ3 1 1 6 2320 1 1 14 LYS N N -0.551 4.347 -0.129 1.00 . A A . 14 LYS N 1 1 6 2321 1 1 14 LYS NZ N -2.062 8.973 1.374 1.00 . A A . 14 LYS NZ 1 1 6 2322 1 1 14 LYS O O 2.318 3.273 1.598 1.00 . A A . 14 LYS O 1 1 6 2323 1 1 15 ALA C C 2.722 1.015 -0.447 1.00 . A A . 15 ALA C 1 1 6 2324 1 1 15 ALA CA C 1.623 0.852 0.584 1.00 . A A . 15 ALA CA 1 1 6 2325 1 1 15 ALA CB C 0.824 -0.410 0.355 1.00 . A A . 15 ALA CB 1 1 6 2326 1 1 15 ALA H H -0.137 1.943 0.248 1.00 . A A . 15 ALA H 1 1 6 2327 1 1 15 ALA HA H 2.089 0.792 1.555 1.00 . A A . 15 ALA HA 1 1 6 2328 1 1 15 ALA HB1 H 1.506 -1.244 0.401 1.00 . A A . 15 ALA HB1 1 1 6 2329 1 1 15 ALA HB2 H 0.351 -0.367 -0.615 1.00 . A A . 15 ALA HB2 1 1 6 2330 1 1 15 ALA HB3 H 0.073 -0.508 1.129 1.00 . A A . 15 ALA HB3 1 1 6 2331 1 1 15 ALA N N 0.774 2.010 0.618 1.00 . A A . 15 ALA N 1 1 6 2332 1 1 15 ALA O O 3.816 0.522 -0.263 1.00 . A A . 15 ALA O 1 1 6 2333 1 1 16 THR C C 4.453 3.023 -2.057 1.00 . A A . 16 THR C 1 1 6 2334 1 1 16 THR CA C 3.453 1.949 -2.512 1.00 . A A . 16 THR CA 1 1 6 2335 1 1 16 THR CB C 2.849 2.295 -3.885 1.00 . A A . 16 THR CB 1 1 6 2336 1 1 16 THR CG2 C 3.935 2.358 -4.942 1.00 . A A . 16 THR CG2 1 1 6 2337 1 1 16 THR H H 1.536 2.062 -1.634 1.00 . A A . 16 THR H 1 1 6 2338 1 1 16 THR HA H 3.989 1.017 -2.598 1.00 . A A . 16 THR HA 1 1 6 2339 1 1 16 THR HB H 2.337 3.247 -3.835 1.00 . A A . 16 THR HB 1 1 6 2340 1 1 16 THR HG1 H 1.119 1.414 -3.767 1.00 . A A . 16 THR HG1 1 1 6 2341 1 1 16 THR HG21 H 4.408 1.386 -4.979 1.00 . A A . 16 THR HG21 1 1 6 2342 1 1 16 THR HG22 H 4.662 3.108 -4.669 1.00 . A A . 16 THR HG22 1 1 6 2343 1 1 16 THR HG23 H 3.510 2.588 -5.907 1.00 . A A . 16 THR HG23 1 1 6 2344 1 1 16 THR N N 2.442 1.710 -1.513 1.00 . A A . 16 THR N 1 1 6 2345 1 1 16 THR O O 5.646 2.931 -2.334 1.00 . A A . 16 THR O 1 1 6 2346 1 1 16 THR OG1 O 1.946 1.255 -4.243 1.00 . A A . 16 THR OG1 1 1 6 2347 1 1 17 ILE C C 5.698 4.555 0.331 1.00 . A A . 17 ILE C 1 1 6 2348 1 1 17 ILE CA C 4.908 5.045 -0.902 1.00 . A A . 17 ILE CA 1 1 6 2349 1 1 17 ILE CB C 4.242 6.462 -0.680 1.00 . A A . 17 ILE CB 1 1 6 2350 1 1 17 ILE CD1 C 6.195 7.808 -1.589 1.00 . A A . 17 ILE CD1 1 1 6 2351 1 1 17 ILE CG1 C 5.294 7.540 -0.409 1.00 . A A . 17 ILE CG1 1 1 6 2352 1 1 17 ILE CG2 C 3.177 6.465 0.406 1.00 . A A . 17 ILE CG2 1 1 6 2353 1 1 17 ILE H H 3.020 4.126 -1.192 1.00 . A A . 17 ILE H 1 1 6 2354 1 1 17 ILE HA H 5.644 5.128 -1.685 1.00 . A A . 17 ILE HA 1 1 6 2355 1 1 17 ILE HB H 3.735 6.711 -1.600 1.00 . A A . 17 ILE HB 1 1 6 2356 1 1 17 ILE HD11 H 6.918 8.570 -1.339 1.00 . A A . 17 ILE HD11 1 1 6 2357 1 1 17 ILE HD12 H 5.599 8.154 -2.421 1.00 . A A . 17 ILE HD12 1 1 6 2358 1 1 17 ILE HD13 H 6.709 6.898 -1.860 1.00 . A A . 17 ILE HD13 1 1 6 2359 1 1 17 ILE HG12 H 4.787 8.466 -0.183 1.00 . A A . 17 ILE HG12 1 1 6 2360 1 1 17 ILE HG13 H 5.913 7.251 0.428 1.00 . A A . 17 ILE HG13 1 1 6 2361 1 1 17 ILE HG21 H 2.775 7.457 0.536 1.00 . A A . 17 ILE HG21 1 1 6 2362 1 1 17 ILE HG22 H 3.607 6.133 1.340 1.00 . A A . 17 ILE HG22 1 1 6 2363 1 1 17 ILE HG23 H 2.386 5.793 0.111 1.00 . A A . 17 ILE HG23 1 1 6 2364 1 1 17 ILE N N 3.984 4.042 -1.366 1.00 . A A . 17 ILE N 1 1 6 2365 1 1 17 ILE O O 6.911 4.563 0.322 1.00 . A A . 17 ILE O 1 1 6 2366 1 1 18 PHE C C 6.167 2.236 2.489 1.00 . A A . 18 PHE C 1 1 6 2367 1 1 18 PHE CA C 5.640 3.654 2.583 1.00 . A A . 18 PHE CA 1 1 6 2368 1 1 18 PHE CB C 4.735 3.820 3.785 1.00 . A A . 18 PHE CB 1 1 6 2369 1 1 18 PHE CD1 C 5.411 6.136 4.337 1.00 . A A . 18 PHE CD1 1 1 6 2370 1 1 18 PHE CD2 C 3.096 5.683 4.055 1.00 . A A . 18 PHE CD2 1 1 6 2371 1 1 18 PHE CE1 C 5.128 7.455 4.615 1.00 . A A . 18 PHE CE1 1 1 6 2372 1 1 18 PHE CE2 C 2.797 7.005 4.327 1.00 . A A . 18 PHE CE2 1 1 6 2373 1 1 18 PHE CG C 4.404 5.244 4.057 1.00 . A A . 18 PHE CG 1 1 6 2374 1 1 18 PHE CZ C 3.816 7.891 4.610 1.00 . A A . 18 PHE CZ 1 1 6 2375 1 1 18 PHE H H 4.020 4.108 1.316 1.00 . A A . 18 PHE H 1 1 6 2376 1 1 18 PHE HA H 6.499 4.291 2.734 1.00 . A A . 18 PHE HA 1 1 6 2377 1 1 18 PHE HB2 H 3.811 3.286 3.620 1.00 . A A . 18 PHE HB2 1 1 6 2378 1 1 18 PHE HB3 H 5.232 3.418 4.655 1.00 . A A . 18 PHE HB3 1 1 6 2379 1 1 18 PHE HD1 H 6.428 5.769 4.318 1.00 . A A . 18 PHE HD1 1 1 6 2380 1 1 18 PHE HD2 H 2.311 4.976 3.825 1.00 . A A . 18 PHE HD2 1 1 6 2381 1 1 18 PHE HE1 H 5.929 8.146 4.833 1.00 . A A . 18 PHE HE1 1 1 6 2382 1 1 18 PHE HE2 H 1.771 7.340 4.321 1.00 . A A . 18 PHE HE2 1 1 6 2383 1 1 18 PHE HZ H 3.596 8.924 4.832 1.00 . A A . 18 PHE HZ 1 1 6 2384 1 1 18 PHE N N 5.001 4.129 1.365 1.00 . A A . 18 PHE N 1 1 6 2385 1 1 18 PHE O O 7.359 1.999 2.642 1.00 . A A . 18 PHE O 1 1 6 2386 1 1 19 GLY C C 6.652 -0.455 1.224 1.00 . A A . 19 GLY C 1 1 6 2387 1 1 19 GLY CA C 5.588 -0.115 2.227 1.00 . A A . 19 GLY CA 1 1 6 2388 1 1 19 GLY H H 4.334 1.586 2.083 1.00 . A A . 19 GLY H 1 1 6 2389 1 1 19 GLY HA2 H 5.920 -0.427 3.206 1.00 . A A . 19 GLY HA2 1 1 6 2390 1 1 19 GLY HA3 H 4.696 -0.664 1.964 1.00 . A A . 19 GLY HA3 1 1 6 2391 1 1 19 GLY N N 5.257 1.302 2.250 1.00 . A A . 19 GLY N 1 1 6 2392 1 1 19 GLY O O 7.659 -1.083 1.558 1.00 . A A . 19 GLY O 1 1 6 2393 1 1 20 LEU C C 8.725 0.356 -0.796 1.00 . A A . 20 LEU C 1 1 6 2394 1 1 20 LEU CA C 7.365 -0.294 -1.068 1.00 . A A . 20 LEU CA 1 1 6 2395 1 1 20 LEU CB C 6.832 0.167 -2.403 1.00 . A A . 20 LEU CB 1 1 6 2396 1 1 20 LEU CD1 C 6.248 -1.932 -3.573 1.00 . A A . 20 LEU CD1 1 1 6 2397 1 1 20 LEU CD2 C 7.105 0.016 -4.878 1.00 . A A . 20 LEU CD2 1 1 6 2398 1 1 20 LEU CG C 7.168 -0.732 -3.570 1.00 . A A . 20 LEU CG 1 1 6 2399 1 1 20 LEU H H 5.574 0.406 -0.185 1.00 . A A . 20 LEU H 1 1 6 2400 1 1 20 LEU HA H 7.520 -1.364 -1.106 1.00 . A A . 20 LEU HA 1 1 6 2401 1 1 20 LEU HB2 H 5.758 0.242 -2.324 1.00 . A A . 20 LEU HB2 1 1 6 2402 1 1 20 LEU HB3 H 7.235 1.148 -2.611 1.00 . A A . 20 LEU HB3 1 1 6 2403 1 1 20 LEU HD11 H 6.531 -2.617 -4.358 1.00 . A A . 20 LEU HD11 1 1 6 2404 1 1 20 LEU HD12 H 5.249 -1.563 -3.769 1.00 . A A . 20 LEU HD12 1 1 6 2405 1 1 20 LEU HD13 H 6.277 -2.420 -2.609 1.00 . A A . 20 LEU HD13 1 1 6 2406 1 1 20 LEU HD21 H 7.817 0.827 -4.848 1.00 . A A . 20 LEU HD21 1 1 6 2407 1 1 20 LEU HD22 H 6.106 0.398 -5.018 1.00 . A A . 20 LEU HD22 1 1 6 2408 1 1 20 LEU HD23 H 7.363 -0.658 -5.682 1.00 . A A . 20 LEU HD23 1 1 6 2409 1 1 20 LEU HG H 8.174 -1.093 -3.424 1.00 . A A . 20 LEU HG 1 1 6 2410 1 1 20 LEU N N 6.436 -0.041 0.001 1.00 . A A . 20 LEU N 1 1 6 2411 1 1 20 LEU O O 9.740 -0.157 -1.238 1.00 . A A . 20 LEU O 1 1 6 2412 1 1 21 ALA C C 10.909 1.255 1.087 1.00 . A A . 21 ALA C 1 1 6 2413 1 1 21 ALA CA C 9.995 2.168 0.278 1.00 . A A . 21 ALA CA 1 1 6 2414 1 1 21 ALA CB C 9.732 3.451 1.043 1.00 . A A . 21 ALA CB 1 1 6 2415 1 1 21 ALA H H 7.918 1.885 0.292 1.00 . A A . 21 ALA H 1 1 6 2416 1 1 21 ALA HA H 10.497 2.416 -0.647 1.00 . A A . 21 ALA HA 1 1 6 2417 1 1 21 ALA HB1 H 9.105 4.097 0.446 1.00 . A A . 21 ALA HB1 1 1 6 2418 1 1 21 ALA HB2 H 10.665 3.949 1.254 1.00 . A A . 21 ALA HB2 1 1 6 2419 1 1 21 ALA HB3 H 9.223 3.226 1.969 1.00 . A A . 21 ALA HB3 1 1 6 2420 1 1 21 ALA N N 8.745 1.487 -0.060 1.00 . A A . 21 ALA N 1 1 6 2421 1 1 21 ALA O O 12.121 1.346 0.995 1.00 . A A . 21 ALA O 1 1 6 2422 1 1 22 ALA C C 11.752 -1.621 1.726 1.00 . A A . 22 ALA C 1 1 6 2423 1 1 22 ALA CA C 11.083 -0.594 2.628 1.00 . A A . 22 ALA CA 1 1 6 2424 1 1 22 ALA CB C 10.209 -1.268 3.668 1.00 . A A . 22 ALA CB 1 1 6 2425 1 1 22 ALA H H 9.342 0.324 1.886 1.00 . A A . 22 ALA H 1 1 6 2426 1 1 22 ALA HA H 11.865 -0.048 3.137 1.00 . A A . 22 ALA HA 1 1 6 2427 1 1 22 ALA HB1 H 9.753 -0.520 4.300 1.00 . A A . 22 ALA HB1 1 1 6 2428 1 1 22 ALA HB2 H 10.820 -1.921 4.272 1.00 . A A . 22 ALA HB2 1 1 6 2429 1 1 22 ALA HB3 H 9.438 -1.839 3.172 1.00 . A A . 22 ALA HB3 1 1 6 2430 1 1 22 ALA N N 10.322 0.356 1.847 1.00 . A A . 22 ALA N 1 1 6 2431 1 1 22 ALA O O 12.811 -2.130 2.031 1.00 . A A . 22 ALA O 1 1 6 2432 1 1 23 TRP C C 12.594 -2.274 -1.300 1.00 . A A . 23 TRP C 1 1 6 2433 1 1 23 TRP CA C 11.691 -2.911 -0.256 1.00 . A A . 23 TRP CA 1 1 6 2434 1 1 23 TRP CB C 10.611 -3.739 -0.906 1.00 . A A . 23 TRP CB 1 1 6 2435 1 1 23 TRP CD1 C 11.042 -5.948 -2.093 1.00 . A A . 23 TRP CD1 1 1 6 2436 1 1 23 TRP CD2 C 11.480 -5.973 0.095 1.00 . A A . 23 TRP CD2 1 1 6 2437 1 1 23 TRP CE2 C 11.764 -7.240 -0.426 1.00 . A A . 23 TRP CE2 1 1 6 2438 1 1 23 TRP CE3 C 11.686 -5.735 1.463 1.00 . A A . 23 TRP CE3 1 1 6 2439 1 1 23 TRP CG C 11.006 -5.168 -0.989 1.00 . A A . 23 TRP CG 1 1 6 2440 1 1 23 TRP CH2 C 12.446 -8.014 1.696 1.00 . A A . 23 TRP CH2 1 1 6 2441 1 1 23 TRP CZ2 C 12.245 -8.275 0.366 1.00 . A A . 23 TRP CZ2 1 1 6 2442 1 1 23 TRP CZ3 C 12.167 -6.752 2.249 1.00 . A A . 23 TRP CZ3 1 1 6 2443 1 1 23 TRP H H 10.281 -1.483 0.417 1.00 . A A . 23 TRP H 1 1 6 2444 1 1 23 TRP HA H 12.310 -3.567 0.336 1.00 . A A . 23 TRP HA 1 1 6 2445 1 1 23 TRP HB2 H 9.662 -3.626 -0.403 1.00 . A A . 23 TRP HB2 1 1 6 2446 1 1 23 TRP HB3 H 10.523 -3.374 -1.918 1.00 . A A . 23 TRP HB3 1 1 6 2447 1 1 23 TRP HD1 H 10.749 -5.621 -3.078 1.00 . A A . 23 TRP HD1 1 1 6 2448 1 1 23 TRP HE1 H 11.575 -7.940 -2.413 1.00 . A A . 23 TRP HE1 1 1 6 2449 1 1 23 TRP HE3 H 11.473 -4.769 1.898 1.00 . A A . 23 TRP HE3 1 1 6 2450 1 1 23 TRP HH2 H 12.825 -8.796 2.338 1.00 . A A . 23 TRP HH2 1 1 6 2451 1 1 23 TRP HZ2 H 12.467 -9.249 -0.042 1.00 . A A . 23 TRP HZ2 1 1 6 2452 1 1 23 TRP HZ3 H 12.335 -6.555 3.299 1.00 . A A . 23 TRP HZ3 1 1 6 2453 1 1 23 TRP N N 11.126 -1.931 0.629 1.00 . A A . 23 TRP N 1 1 6 2454 1 1 23 TRP NE1 N 11.479 -7.201 -1.769 1.00 . A A . 23 TRP NE1 1 1 6 2455 1 1 23 TRP O O 13.611 -2.818 -1.663 1.00 . A A . 23 TRP O 1 1 6 2456 1 1 24 ALA C C 14.108 0.321 -2.193 1.00 . A A . 24 ALA C 1 1 6 2457 1 1 24 ALA CA C 12.931 -0.436 -2.810 1.00 . A A . 24 ALA CA 1 1 6 2458 1 1 24 ALA CB C 12.013 0.513 -3.571 1.00 . A A . 24 ALA CB 1 1 6 2459 1 1 24 ALA H H 11.303 -0.795 -1.519 1.00 . A A . 24 ALA H 1 1 6 2460 1 1 24 ALA HA H 13.316 -1.156 -3.513 1.00 . A A . 24 ALA HA 1 1 6 2461 1 1 24 ALA HB1 H 12.567 1.019 -4.346 1.00 . A A . 24 ALA HB1 1 1 6 2462 1 1 24 ALA HB2 H 11.600 1.240 -2.887 1.00 . A A . 24 ALA HB2 1 1 6 2463 1 1 24 ALA HB3 H 11.204 -0.046 -4.019 1.00 . A A . 24 ALA HB3 1 1 6 2464 1 1 24 ALA N N 12.170 -1.153 -1.814 1.00 . A A . 24 ALA N 1 1 6 2465 1 1 24 ALA O O 15.249 0.084 -2.519 1.00 . A A . 24 ALA O 1 1 6 2466 1 1 25 LEU C C 15.574 1.551 0.442 1.00 . A A . 25 LEU C 1 1 6 2467 1 1 25 LEU CA C 14.768 2.142 -0.720 1.00 . A A . 25 LEU CA 1 1 6 2468 1 1 25 LEU CB C 14.068 3.428 -0.278 1.00 . A A . 25 LEU CB 1 1 6 2469 1 1 25 LEU CD1 C 12.687 5.466 -0.799 1.00 . A A . 25 LEU CD1 1 1 6 2470 1 1 25 LEU CD2 C 14.392 4.670 -2.444 1.00 . A A . 25 LEU CD2 1 1 6 2471 1 1 25 LEU CG C 13.385 4.248 -1.384 1.00 . A A . 25 LEU CG 1 1 6 2472 1 1 25 LEU H H 12.864 1.301 -0.999 1.00 . A A . 25 LEU H 1 1 6 2473 1 1 25 LEU HA H 15.460 2.411 -1.502 1.00 . A A . 25 LEU HA 1 1 6 2474 1 1 25 LEU HB2 H 13.305 3.152 0.438 1.00 . A A . 25 LEU HB2 1 1 6 2475 1 1 25 LEU HB3 H 14.804 4.040 0.218 1.00 . A A . 25 LEU HB3 1 1 6 2476 1 1 25 LEU HD11 H 13.412 6.079 -0.287 1.00 . A A . 25 LEU HD11 1 1 6 2477 1 1 25 LEU HD12 H 11.922 5.161 -0.099 1.00 . A A . 25 LEU HD12 1 1 6 2478 1 1 25 LEU HD13 H 12.238 6.041 -1.594 1.00 . A A . 25 LEU HD13 1 1 6 2479 1 1 25 LEU HD21 H 15.179 5.253 -1.989 1.00 . A A . 25 LEU HD21 1 1 6 2480 1 1 25 LEU HD22 H 13.890 5.271 -3.186 1.00 . A A . 25 LEU HD22 1 1 6 2481 1 1 25 LEU HD23 H 14.815 3.797 -2.916 1.00 . A A . 25 LEU HD23 1 1 6 2482 1 1 25 LEU HG H 12.636 3.630 -1.857 1.00 . A A . 25 LEU HG 1 1 6 2483 1 1 25 LEU N N 13.792 1.233 -1.305 1.00 . A A . 25 LEU N 1 1 6 2484 1 1 25 LEU O O 16.691 1.989 0.703 1.00 . A A . 25 LEU O 1 1 6 2485 1 1 26 LEU C C 16.445 -1.187 2.056 1.00 . A A . 26 LEU C 1 1 6 2486 1 1 26 LEU CA C 15.650 0.064 2.348 1.00 . A A . 26 LEU CA 1 1 6 2487 1 1 26 LEU CB C 14.603 -0.233 3.427 1.00 . A A . 26 LEU CB 1 1 6 2488 1 1 26 LEU CD1 C 15.912 0.012 5.558 1.00 . A A . 26 LEU CD1 1 1 6 2489 1 1 26 LEU CD2 C 13.949 -1.576 5.455 1.00 . A A . 26 LEU CD2 1 1 6 2490 1 1 26 LEU CG C 15.096 -0.926 4.690 1.00 . A A . 26 LEU CG 1 1 6 2491 1 1 26 LEU H H 14.124 0.276 0.894 1.00 . A A . 26 LEU H 1 1 6 2492 1 1 26 LEU HA H 16.321 0.810 2.729 1.00 . A A . 26 LEU HA 1 1 6 2493 1 1 26 LEU HB2 H 14.142 0.698 3.721 1.00 . A A . 26 LEU HB2 1 1 6 2494 1 1 26 LEU HB3 H 13.844 -0.860 2.982 1.00 . A A . 26 LEU HB3 1 1 6 2495 1 1 26 LEU HD11 H 16.199 -0.501 6.464 1.00 . A A . 26 LEU HD11 1 1 6 2496 1 1 26 LEU HD12 H 15.326 0.886 5.798 1.00 . A A . 26 LEU HD12 1 1 6 2497 1 1 26 LEU HD13 H 16.801 0.313 5.022 1.00 . A A . 26 LEU HD13 1 1 6 2498 1 1 26 LEU HD21 H 13.209 -0.832 5.706 1.00 . A A . 26 LEU HD21 1 1 6 2499 1 1 26 LEU HD22 H 14.334 -2.019 6.362 1.00 . A A . 26 LEU HD22 1 1 6 2500 1 1 26 LEU HD23 H 13.495 -2.351 4.850 1.00 . A A . 26 LEU HD23 1 1 6 2501 1 1 26 LEU HG H 15.760 -1.710 4.359 1.00 . A A . 26 LEU HG 1 1 6 2502 1 1 26 LEU N N 15.003 0.613 1.157 1.00 . A A . 26 LEU N 1 1 6 2503 1 1 26 LEU O O 17.421 -1.490 2.744 1.00 . A A . 26 LEU O 1 1 6 2504 1 1 27 ALA C C 17.649 -3.089 -0.380 1.00 . A A . 27 ALA C 1 1 6 2505 1 1 27 ALA CA C 16.621 -3.167 0.757 1.00 . A A . 27 ALA CA 1 1 6 2506 1 1 27 ALA CB C 15.506 -4.168 0.463 1.00 . A A . 27 ALA CB 1 1 6 2507 1 1 27 ALA H H 15.347 -1.473 0.502 1.00 . A A . 27 ALA H 1 1 6 2508 1 1 27 ALA HA H 17.140 -3.500 1.644 1.00 . A A . 27 ALA HA 1 1 6 2509 1 1 27 ALA HB1 H 14.972 -3.884 -0.434 1.00 . A A . 27 ALA HB1 1 1 6 2510 1 1 27 ALA HB2 H 14.801 -4.184 1.281 1.00 . A A . 27 ALA HB2 1 1 6 2511 1 1 27 ALA HB3 H 15.919 -5.156 0.333 1.00 . A A . 27 ALA HB3 1 1 6 2512 1 1 27 ALA N N 16.040 -1.878 1.060 1.00 . A A . 27 ALA N 1 1 6 2513 1 1 27 ALA O O 18.814 -2.712 -0.106 1.00 . A A . 27 ALA O 1 1 6 2514 1 1 27 ALA OXT O 17.310 -3.431 -1.522 1.00 . A A . 27 ALA OXT 1 1 7 2515 1 1 1 ARG C C -12.840 -8.073 1.051 1.00 . A A . 1 ARG C 1 1 7 2516 1 1 1 ARG CA C -11.790 -9.134 1.345 1.00 . A A . 1 ARG CA 1 1 7 2517 1 1 1 ARG CB C -12.441 -10.438 1.779 1.00 . A A . 1 ARG CB 1 1 7 2518 1 1 1 ARG CD C -12.151 -12.889 2.149 1.00 . A A . 1 ARG CD 1 1 7 2519 1 1 1 ARG CG C -11.456 -11.576 1.924 1.00 . A A . 1 ARG CG 1 1 7 2520 1 1 1 ARG CZ C -13.264 -14.471 0.582 1.00 . A A . 1 ARG CZ 1 1 7 2521 1 1 1 ARG H1 H -10.122 -9.411 2.534 1.00 . A A . 1 ARG H1 1 1 7 2522 1 1 1 ARG H2 H -11.246 -8.393 3.224 1.00 . A A . 1 ARG H2 1 1 7 2523 1 1 1 ARG H3 H -10.280 -7.868 1.918 1.00 . A A . 1 ARG H3 1 1 7 2524 1 1 1 ARG HA H -11.244 -9.310 0.432 1.00 . A A . 1 ARG HA 1 1 7 2525 1 1 1 ARG HB2 H -12.937 -10.288 2.727 1.00 . A A . 1 ARG HB2 1 1 7 2526 1 1 1 ARG HB3 H -13.178 -10.716 1.040 1.00 . A A . 1 ARG HB3 1 1 7 2527 1 1 1 ARG HD2 H -11.400 -13.653 2.270 1.00 . A A . 1 ARG HD2 1 1 7 2528 1 1 1 ARG HD3 H -12.753 -12.817 3.042 1.00 . A A . 1 ARG HD3 1 1 7 2529 1 1 1 ARG HE H -13.411 -12.482 0.531 1.00 . A A . 1 ARG HE 1 1 7 2530 1 1 1 ARG HG2 H -10.861 -11.643 1.023 1.00 . A A . 1 ARG HG2 1 1 7 2531 1 1 1 ARG HG3 H -10.812 -11.371 2.767 1.00 . A A . 1 ARG HG3 1 1 7 2532 1 1 1 ARG HH11 H -12.235 -15.479 2.057 1.00 . A A . 1 ARG HH11 1 1 7 2533 1 1 1 ARG HH12 H -12.977 -16.454 0.880 1.00 . A A . 1 ARG HH12 1 1 7 2534 1 1 1 ARG HH21 H -14.388 -13.863 -1.005 1.00 . A A . 1 ARG HH21 1 1 7 2535 1 1 1 ARG HH22 H -14.220 -15.549 -0.862 1.00 . A A . 1 ARG HH22 1 1 7 2536 1 1 1 ARG N N -10.814 -8.667 2.319 1.00 . A A . 1 ARG N 1 1 7 2537 1 1 1 ARG NE N -13.010 -13.240 1.017 1.00 . A A . 1 ARG NE 1 1 7 2538 1 1 1 ARG NH1 N -12.798 -15.528 1.221 1.00 . A A . 1 ARG NH1 1 1 7 2539 1 1 1 ARG NH2 N -14.005 -14.640 -0.493 1.00 . A A . 1 ARG NH2 1 1 7 2540 1 1 1 ARG O O -13.736 -8.283 0.235 1.00 . A A . 1 ARG O 1 1 7 2541 1 1 2 ASN C C -12.966 -4.865 0.532 1.00 . A A . 2 ASN C 1 1 7 2542 1 1 2 ASN CA C -13.640 -5.839 1.479 1.00 . A A . 2 ASN CA 1 1 7 2543 1 1 2 ASN CB C -14.057 -5.141 2.806 1.00 . A A . 2 ASN CB 1 1 7 2544 1 1 2 ASN CG C -12.904 -4.536 3.601 1.00 . A A . 2 ASN CG 1 1 7 2545 1 1 2 ASN H H -12.026 -6.809 2.370 1.00 . A A . 2 ASN H 1 1 7 2546 1 1 2 ASN HA H -14.512 -6.246 0.989 1.00 . A A . 2 ASN HA 1 1 7 2547 1 1 2 ASN HB2 H -14.743 -4.343 2.575 1.00 . A A . 2 ASN HB2 1 1 7 2548 1 1 2 ASN HB3 H -14.561 -5.861 3.433 1.00 . A A . 2 ASN HB3 1 1 7 2549 1 1 2 ASN HD21 H -14.097 -3.120 4.303 1.00 . A A . 2 ASN HD21 1 1 7 2550 1 1 2 ASN HD22 H -12.458 -3.035 4.809 1.00 . A A . 2 ASN HD22 1 1 7 2551 1 1 2 ASN N N -12.735 -6.948 1.709 1.00 . A A . 2 ASN N 1 1 7 2552 1 1 2 ASN ND2 N -13.179 -3.473 4.306 1.00 . A A . 2 ASN ND2 1 1 7 2553 1 1 2 ASN O O -11.740 -4.850 0.440 1.00 . A A . 2 ASN O 1 1 7 2554 1 1 2 ASN OD1 O -11.776 -5.027 3.578 1.00 . A A . 2 ASN OD1 1 1 7 2555 1 1 3 LYS C C -13.796 -1.809 -1.118 1.00 . A A . 3 LYS C 1 1 7 2556 1 1 3 LYS CA C -13.160 -3.201 -1.176 1.00 . A A . 3 LYS CA 1 1 7 2557 1 1 3 LYS CB C -13.406 -3.795 -2.555 1.00 . A A . 3 LYS CB 1 1 7 2558 1 1 3 LYS CD C -13.304 -3.346 -5.020 1.00 . A A . 3 LYS CD 1 1 7 2559 1 1 3 LYS CE C -14.654 -2.649 -5.084 1.00 . A A . 3 LYS CE 1 1 7 2560 1 1 3 LYS CG C -12.658 -3.093 -3.678 1.00 . A A . 3 LYS CG 1 1 7 2561 1 1 3 LYS H H -14.711 -4.076 -0.073 1.00 . A A . 3 LYS H 1 1 7 2562 1 1 3 LYS HA H -12.094 -3.120 -1.031 1.00 . A A . 3 LYS HA 1 1 7 2563 1 1 3 LYS HB2 H -13.098 -4.832 -2.532 1.00 . A A . 3 LYS HB2 1 1 7 2564 1 1 3 LYS HB3 H -14.468 -3.751 -2.739 1.00 . A A . 3 LYS HB3 1 1 7 2565 1 1 3 LYS HD2 H -12.664 -2.965 -5.802 1.00 . A A . 3 LYS HD2 1 1 7 2566 1 1 3 LYS HD3 H -13.447 -4.410 -5.151 1.00 . A A . 3 LYS HD3 1 1 7 2567 1 1 3 LYS HE2 H -15.272 -2.992 -4.270 1.00 . A A . 3 LYS HE2 1 1 7 2568 1 1 3 LYS HE3 H -14.488 -1.590 -4.963 1.00 . A A . 3 LYS HE3 1 1 7 2569 1 1 3 LYS HG2 H -12.647 -2.030 -3.487 1.00 . A A . 3 LYS HG2 1 1 7 2570 1 1 3 LYS HG3 H -11.645 -3.468 -3.697 1.00 . A A . 3 LYS HG3 1 1 7 2571 1 1 3 LYS HZ1 H -15.545 -3.907 -6.474 1.00 . A A . 3 LYS HZ1 1 1 7 2572 1 1 3 LYS HZ2 H -14.806 -2.562 -7.163 1.00 . A A . 3 LYS HZ2 1 1 7 2573 1 1 3 LYS HZ3 H -16.276 -2.400 -6.353 1.00 . A A . 3 LYS HZ3 1 1 7 2574 1 1 3 LYS N N -13.734 -4.082 -0.188 1.00 . A A . 3 LYS N 1 1 7 2575 1 1 3 LYS NZ N -15.358 -2.892 -6.345 1.00 . A A . 3 LYS NZ 1 1 7 2576 1 1 3 LYS O O -14.988 -1.678 -0.870 1.00 . A A . 3 LYS O 1 1 7 2577 1 1 4 LEU C C -12.213 1.371 -1.987 1.00 . A A . 4 LEU C 1 1 7 2578 1 1 4 LEU CA C -13.398 0.598 -1.449 1.00 . A A . 4 LEU CA 1 1 7 2579 1 1 4 LEU CB C -13.836 1.119 -0.061 1.00 . A A . 4 LEU CB 1 1 7 2580 1 1 4 LEU CD1 C -15.751 2.580 -0.839 1.00 . A A . 4 LEU CD1 1 1 7 2581 1 1 4 LEU CD2 C -14.754 2.939 1.412 1.00 . A A . 4 LEU CD2 1 1 7 2582 1 1 4 LEU CG C -14.471 2.528 -0.016 1.00 . A A . 4 LEU CG 1 1 7 2583 1 1 4 LEU H H -12.046 -0.967 -1.590 1.00 . A A . 4 LEU H 1 1 7 2584 1 1 4 LEU HA H -14.190 0.719 -2.170 1.00 . A A . 4 LEU HA 1 1 7 2585 1 1 4 LEU HB2 H -14.561 0.409 0.308 1.00 . A A . 4 LEU HB2 1 1 7 2586 1 1 4 LEU HB3 H -12.980 1.103 0.599 1.00 . A A . 4 LEU HB3 1 1 7 2587 1 1 4 LEU HD11 H -16.448 1.852 -0.450 1.00 . A A . 4 LEU HD11 1 1 7 2588 1 1 4 LEU HD12 H -15.531 2.359 -1.873 1.00 . A A . 4 LEU HD12 1 1 7 2589 1 1 4 LEU HD13 H -16.187 3.566 -0.769 1.00 . A A . 4 LEU HD13 1 1 7 2590 1 1 4 LEU HD21 H -13.832 2.962 1.972 1.00 . A A . 4 LEU HD21 1 1 7 2591 1 1 4 LEU HD22 H -15.423 2.215 1.852 1.00 . A A . 4 LEU HD22 1 1 7 2592 1 1 4 LEU HD23 H -15.213 3.916 1.425 1.00 . A A . 4 LEU HD23 1 1 7 2593 1 1 4 LEU HG H -13.777 3.237 -0.443 1.00 . A A . 4 LEU HG 1 1 7 2594 1 1 4 LEU N N -12.989 -0.797 -1.388 1.00 . A A . 4 LEU N 1 1 7 2595 1 1 4 LEU O O -11.107 0.810 -2.045 1.00 . A A . 4 LEU O 1 1 7 2596 1 1 5 ALA C C -10.174 3.622 -2.066 1.00 . A A . 5 ALA C 1 1 7 2597 1 1 5 ALA CA C -11.365 3.435 -2.980 1.00 . A A . 5 ALA CA 1 1 7 2598 1 1 5 ALA CB C -11.908 4.759 -3.455 1.00 . A A . 5 ALA CB 1 1 7 2599 1 1 5 ALA H H -13.296 3.044 -2.245 1.00 . A A . 5 ALA H 1 1 7 2600 1 1 5 ALA HA H -11.015 2.888 -3.838 1.00 . A A . 5 ALA HA 1 1 7 2601 1 1 5 ALA HB1 H -12.810 4.577 -4.019 1.00 . A A . 5 ALA HB1 1 1 7 2602 1 1 5 ALA HB2 H -11.180 5.247 -4.084 1.00 . A A . 5 ALA HB2 1 1 7 2603 1 1 5 ALA HB3 H -12.132 5.383 -2.604 1.00 . A A . 5 ALA HB3 1 1 7 2604 1 1 5 ALA N N -12.414 2.630 -2.366 1.00 . A A . 5 ALA N 1 1 7 2605 1 1 5 ALA O O -9.029 3.491 -2.486 1.00 . A A . 5 ALA O 1 1 7 2606 1 1 6 TYR C C -8.800 2.700 0.579 1.00 . A A . 6 TYR C 1 1 7 2607 1 1 6 TYR CA C -9.358 4.034 0.148 1.00 . A A . 6 TYR CA 1 1 7 2608 1 1 6 TYR CB C -9.791 4.825 1.370 1.00 . A A . 6 TYR CB 1 1 7 2609 1 1 6 TYR CD1 C -9.061 7.210 1.155 1.00 . A A . 6 TYR CD1 1 1 7 2610 1 1 6 TYR CD2 C -11.367 6.715 0.859 1.00 . A A . 6 TYR CD2 1 1 7 2611 1 1 6 TYR CE1 C -9.314 8.542 0.954 1.00 . A A . 6 TYR CE1 1 1 7 2612 1 1 6 TYR CE2 C -11.630 8.051 0.647 1.00 . A A . 6 TYR CE2 1 1 7 2613 1 1 6 TYR CG C -10.080 6.275 1.115 1.00 . A A . 6 TYR CG 1 1 7 2614 1 1 6 TYR CZ C -10.596 8.962 0.696 1.00 . A A . 6 TYR CZ 1 1 7 2615 1 1 6 TYR H H -11.378 3.932 -0.559 1.00 . A A . 6 TYR H 1 1 7 2616 1 1 6 TYR HA H -8.582 4.584 -0.364 1.00 . A A . 6 TYR HA 1 1 7 2617 1 1 6 TYR HB2 H -10.688 4.377 1.764 1.00 . A A . 6 TYR HB2 1 1 7 2618 1 1 6 TYR HB3 H -9.017 4.765 2.121 1.00 . A A . 6 TYR HB3 1 1 7 2619 1 1 6 TYR HD1 H -8.052 6.876 1.356 1.00 . A A . 6 TYR HD1 1 1 7 2620 1 1 6 TYR HD2 H -12.171 5.994 0.823 1.00 . A A . 6 TYR HD2 1 1 7 2621 1 1 6 TYR HE1 H -8.492 9.240 0.993 1.00 . A A . 6 TYR HE1 1 1 7 2622 1 1 6 TYR HE2 H -12.641 8.372 0.446 1.00 . A A . 6 TYR HE2 1 1 7 2623 1 1 6 TYR HH H -11.583 10.526 1.109 1.00 . A A . 6 TYR HH 1 1 7 2624 1 1 6 TYR N N -10.437 3.866 -0.816 1.00 . A A . 6 TYR N 1 1 7 2625 1 1 6 TYR O O -7.672 2.608 1.023 1.00 . A A . 6 TYR O 1 1 7 2626 1 1 6 TYR OH O -10.853 10.303 0.517 1.00 . A A . 6 TYR OH 1 1 7 2627 1 1 7 ASN C C -8.165 -0.164 -0.210 1.00 . A A . 7 ASN C 1 1 7 2628 1 1 7 ASN CA C -9.133 0.365 0.831 1.00 . A A . 7 ASN CA 1 1 7 2629 1 1 7 ASN CB C -10.334 -0.575 0.977 1.00 . A A . 7 ASN CB 1 1 7 2630 1 1 7 ASN CG C -10.001 -1.936 1.566 1.00 . A A . 7 ASN CG 1 1 7 2631 1 1 7 ASN H H -10.475 1.797 0.057 1.00 . A A . 7 ASN H 1 1 7 2632 1 1 7 ASN HA H -8.628 0.441 1.780 1.00 . A A . 7 ASN HA 1 1 7 2633 1 1 7 ASN HB2 H -11.068 -0.112 1.615 1.00 . A A . 7 ASN HB2 1 1 7 2634 1 1 7 ASN HB3 H -10.772 -0.731 0.000 1.00 . A A . 7 ASN HB3 1 1 7 2635 1 1 7 ASN HD21 H -11.792 -2.006 2.378 1.00 . A A . 7 ASN HD21 1 1 7 2636 1 1 7 ASN HD22 H -10.804 -3.380 2.651 1.00 . A A . 7 ASN HD22 1 1 7 2637 1 1 7 ASN N N -9.583 1.675 0.442 1.00 . A A . 7 ASN N 1 1 7 2638 1 1 7 ASN ND2 N -10.941 -2.488 2.266 1.00 . A A . 7 ASN ND2 1 1 7 2639 1 1 7 ASN O O -7.003 -0.374 0.058 1.00 . A A . 7 ASN O 1 1 7 2640 1 1 7 ASN OD1 O -8.910 -2.472 1.407 1.00 . A A . 7 ASN OD1 1 1 7 2641 1 1 8 MET C C -6.854 0.143 -3.043 1.00 . A A . 8 MET C 1 1 7 2642 1 1 8 MET CA C -7.850 -0.874 -2.469 1.00 . A A . 8 MET CA 1 1 7 2643 1 1 8 MET CB C -8.747 -1.464 -3.559 1.00 . A A . 8 MET CB 1 1 7 2644 1 1 8 MET CE C -6.284 -3.773 -2.962 1.00 . A A . 8 MET CE 1 1 7 2645 1 1 8 MET CG C -8.024 -2.246 -4.668 1.00 . A A . 8 MET CG 1 1 7 2646 1 1 8 MET H H -9.568 -0.019 -1.578 1.00 . A A . 8 MET H 1 1 7 2647 1 1 8 MET HA H -7.277 -1.670 -2.023 1.00 . A A . 8 MET HA 1 1 7 2648 1 1 8 MET HB2 H -9.453 -2.132 -3.089 1.00 . A A . 8 MET HB2 1 1 7 2649 1 1 8 MET HB3 H -9.295 -0.653 -4.011 1.00 . A A . 8 MET HB3 1 1 7 2650 1 1 8 MET HE1 H -5.803 -4.726 -2.793 1.00 . A A . 8 MET HE1 1 1 7 2651 1 1 8 MET HE2 H -6.756 -3.483 -2.034 1.00 . A A . 8 MET HE2 1 1 7 2652 1 1 8 MET HE3 H -5.551 -3.041 -3.269 1.00 . A A . 8 MET HE3 1 1 7 2653 1 1 8 MET HG2 H -8.677 -2.286 -5.526 1.00 . A A . 8 MET HG2 1 1 7 2654 1 1 8 MET HG3 H -7.133 -1.694 -4.933 1.00 . A A . 8 MET HG3 1 1 7 2655 1 1 8 MET N N -8.647 -0.315 -1.405 1.00 . A A . 8 MET N 1 1 7 2656 1 1 8 MET O O -5.657 -0.119 -3.124 1.00 . A A . 8 MET O 1 1 7 2657 1 1 8 MET SD S -7.542 -3.966 -4.236 1.00 . A A . 8 MET SD 1 1 7 2658 1 1 9 GLY C C -5.540 2.999 -3.196 1.00 . A A . 9 GLY C 1 1 7 2659 1 1 9 GLY CA C -6.551 2.302 -4.073 1.00 . A A . 9 GLY CA 1 1 7 2660 1 1 9 GLY H H -8.288 1.522 -3.177 1.00 . A A . 9 GLY H 1 1 7 2661 1 1 9 GLY HA2 H -6.021 1.823 -4.879 1.00 . A A . 9 GLY HA2 1 1 7 2662 1 1 9 GLY HA3 H -7.213 3.044 -4.492 1.00 . A A . 9 GLY HA3 1 1 7 2663 1 1 9 GLY N N -7.355 1.312 -3.389 1.00 . A A . 9 GLY N 1 1 7 2664 1 1 9 GLY O O -4.379 3.157 -3.588 1.00 . A A . 9 GLY O 1 1 7 2665 1 1 10 HIS C C -3.987 3.207 -0.605 1.00 . A A . 10 HIS C 1 1 7 2666 1 1 10 HIS CA C -5.080 4.136 -1.111 1.00 . A A . 10 HIS CA 1 1 7 2667 1 1 10 HIS CB C -5.890 4.760 0.022 1.00 . A A . 10 HIS CB 1 1 7 2668 1 1 10 HIS CD2 C -4.929 5.756 2.191 1.00 . A A . 10 HIS CD2 1 1 7 2669 1 1 10 HIS CE1 C -3.936 7.460 1.318 1.00 . A A . 10 HIS CE1 1 1 7 2670 1 1 10 HIS CG C -5.134 5.715 0.857 1.00 . A A . 10 HIS CG 1 1 7 2671 1 1 10 HIS H H -6.896 3.249 -1.780 1.00 . A A . 10 HIS H 1 1 7 2672 1 1 10 HIS HA H -4.553 4.926 -1.632 1.00 . A A . 10 HIS HA 1 1 7 2673 1 1 10 HIS HB2 H -6.698 5.325 -0.417 1.00 . A A . 10 HIS HB2 1 1 7 2674 1 1 10 HIS HB3 H -6.296 3.989 0.661 1.00 . A A . 10 HIS HB3 1 1 7 2675 1 1 10 HIS HD1 H -4.436 7.043 -0.612 1.00 . A A . 10 HIS HD1 1 1 7 2676 1 1 10 HIS HD2 H -5.321 5.055 2.913 1.00 . A A . 10 HIS HD2 1 1 7 2677 1 1 10 HIS HE1 H -3.364 8.359 1.156 1.00 . A A . 10 HIS HE1 1 1 7 2678 1 1 10 HIS N N -5.962 3.420 -2.027 1.00 . A A . 10 HIS N 1 1 7 2679 1 1 10 HIS ND1 N -4.496 6.798 0.339 1.00 . A A . 10 HIS ND1 1 1 7 2680 1 1 10 HIS NE2 N -4.159 6.876 2.484 1.00 . A A . 10 HIS NE2 1 1 7 2681 1 1 10 HIS O O -2.827 3.607 -0.464 1.00 . A A . 10 HIS O 1 1 7 2682 1 1 11 TYR C C -2.455 0.582 -1.160 1.00 . A A . 11 TYR C 1 1 7 2683 1 1 11 TYR CA C -3.354 0.963 -0.013 1.00 . A A . 11 TYR CA 1 1 7 2684 1 1 11 TYR CB C -3.963 -0.253 0.640 1.00 . A A . 11 TYR CB 1 1 7 2685 1 1 11 TYR CD1 C -5.409 0.359 2.617 1.00 . A A . 11 TYR CD1 1 1 7 2686 1 1 11 TYR CD2 C -3.155 -0.271 2.985 1.00 . A A . 11 TYR CD2 1 1 7 2687 1 1 11 TYR CE1 C -5.576 0.554 3.971 1.00 . A A . 11 TYR CE1 1 1 7 2688 1 1 11 TYR CE2 C -3.303 -0.089 4.323 1.00 . A A . 11 TYR CE2 1 1 7 2689 1 1 11 TYR CG C -4.189 -0.056 2.109 1.00 . A A . 11 TYR CG 1 1 7 2690 1 1 11 TYR CZ C -4.518 0.328 4.823 1.00 . A A . 11 TYR CZ 1 1 7 2691 1 1 11 TYR H H -5.276 1.682 -0.474 1.00 . A A . 11 TYR H 1 1 7 2692 1 1 11 TYR HA H -2.730 1.455 0.719 1.00 . A A . 11 TYR HA 1 1 7 2693 1 1 11 TYR HB2 H -4.915 -0.453 0.175 1.00 . A A . 11 TYR HB2 1 1 7 2694 1 1 11 TYR HB3 H -3.309 -1.101 0.506 1.00 . A A . 11 TYR HB3 1 1 7 2695 1 1 11 TYR HD1 H -6.229 0.528 1.933 1.00 . A A . 11 TYR HD1 1 1 7 2696 1 1 11 TYR HD2 H -2.205 -0.598 2.593 1.00 . A A . 11 TYR HD2 1 1 7 2697 1 1 11 TYR HE1 H -6.529 0.878 4.359 1.00 . A A . 11 TYR HE1 1 1 7 2698 1 1 11 TYR HE2 H -2.449 -0.276 4.956 1.00 . A A . 11 TYR HE2 1 1 7 2699 1 1 11 TYR HH H -5.547 0.208 6.429 1.00 . A A . 11 TYR HH 1 1 7 2700 1 1 11 TYR N N -4.336 1.950 -0.389 1.00 . A A . 11 TYR N 1 1 7 2701 1 1 11 TYR O O -1.299 0.237 -0.941 1.00 . A A . 11 TYR O 1 1 7 2702 1 1 11 TYR OH O -4.672 0.524 6.172 1.00 . A A . 11 TYR OH 1 1 7 2703 1 1 12 ALA C C -1.045 1.422 -3.626 1.00 . A A . 12 ALA C 1 1 7 2704 1 1 12 ALA CA C -2.157 0.398 -3.554 1.00 . A A . 12 ALA CA 1 1 7 2705 1 1 12 ALA CB C -2.994 0.427 -4.828 1.00 . A A . 12 ALA CB 1 1 7 2706 1 1 12 ALA H H -3.923 0.867 -2.477 1.00 . A A . 12 ALA H 1 1 7 2707 1 1 12 ALA HA H -1.718 -0.581 -3.438 1.00 . A A . 12 ALA HA 1 1 7 2708 1 1 12 ALA HB1 H -3.779 -0.311 -4.759 1.00 . A A . 12 ALA HB1 1 1 7 2709 1 1 12 ALA HB2 H -2.364 0.210 -5.679 1.00 . A A . 12 ALA HB2 1 1 7 2710 1 1 12 ALA HB3 H -3.430 1.409 -4.948 1.00 . A A . 12 ALA HB3 1 1 7 2711 1 1 12 ALA N N -2.969 0.656 -2.376 1.00 . A A . 12 ALA N 1 1 7 2712 1 1 12 ALA O O 0.107 1.073 -3.825 1.00 . A A . 12 ALA O 1 1 7 2713 1 1 13 GLY C C 0.565 3.570 -2.265 1.00 . A A . 13 GLY C 1 1 7 2714 1 1 13 GLY CA C -0.413 3.744 -3.410 1.00 . A A . 13 GLY CA 1 1 7 2715 1 1 13 GLY H H -2.353 2.873 -3.283 1.00 . A A . 13 GLY H 1 1 7 2716 1 1 13 GLY HA2 H 0.127 3.734 -4.345 1.00 . A A . 13 GLY HA2 1 1 7 2717 1 1 13 GLY HA3 H -0.919 4.692 -3.298 1.00 . A A . 13 GLY HA3 1 1 7 2718 1 1 13 GLY N N -1.399 2.678 -3.422 1.00 . A A . 13 GLY N 1 1 7 2719 1 1 13 GLY O O 1.781 3.631 -2.458 1.00 . A A . 13 GLY O 1 1 7 2720 1 1 14 LYS C C 1.820 1.977 -0.041 1.00 . A A . 14 LYS C 1 1 7 2721 1 1 14 LYS CA C 0.784 3.071 0.139 1.00 . A A . 14 LYS CA 1 1 7 2722 1 1 14 LYS CB C -0.177 2.684 1.260 1.00 . A A . 14 LYS CB 1 1 7 2723 1 1 14 LYS CD C -0.530 5.068 1.990 1.00 . A A . 14 LYS CD 1 1 7 2724 1 1 14 LYS CE C -0.893 5.934 3.171 1.00 . A A . 14 LYS CE 1 1 7 2725 1 1 14 LYS CG C -0.244 3.642 2.435 1.00 . A A . 14 LYS CG 1 1 7 2726 1 1 14 LYS H H -0.959 3.201 -1.051 1.00 . A A . 14 LYS H 1 1 7 2727 1 1 14 LYS HA H 1.278 3.989 0.409 1.00 . A A . 14 LYS HA 1 1 7 2728 1 1 14 LYS HB2 H -1.166 2.617 0.834 1.00 . A A . 14 LYS HB2 1 1 7 2729 1 1 14 LYS HB3 H 0.098 1.706 1.628 1.00 . A A . 14 LYS HB3 1 1 7 2730 1 1 14 LYS HD2 H 0.350 5.481 1.520 1.00 . A A . 14 LYS HD2 1 1 7 2731 1 1 14 LYS HD3 H -1.352 5.056 1.291 1.00 . A A . 14 LYS HD3 1 1 7 2732 1 1 14 LYS HE2 H -1.888 5.641 3.472 1.00 . A A . 14 LYS HE2 1 1 7 2733 1 1 14 LYS HE3 H -0.189 5.766 3.971 1.00 . A A . 14 LYS HE3 1 1 7 2734 1 1 14 LYS HG2 H -1.027 3.323 3.109 1.00 . A A . 14 LYS HG2 1 1 7 2735 1 1 14 LYS HG3 H 0.702 3.621 2.958 1.00 . A A . 14 LYS HG3 1 1 7 2736 1 1 14 LYS HZ1 H 0.010 7.696 2.577 1.00 . A A . 14 LYS HZ1 1 1 7 2737 1 1 14 LYS HZ2 H -1.284 7.932 3.618 1.00 . A A . 14 LYS HZ2 1 1 7 2738 1 1 14 LYS HZ3 H -1.559 7.514 2.009 1.00 . A A . 14 LYS HZ3 1 1 7 2739 1 1 14 LYS N N 0.019 3.279 -1.093 1.00 . A A . 14 LYS N 1 1 7 2740 1 1 14 LYS NZ N -0.939 7.353 2.826 1.00 . A A . 14 LYS NZ 1 1 7 2741 1 1 14 LYS O O 3.001 2.178 0.219 1.00 . A A . 14 LYS O 1 1 7 2742 1 1 15 ALA C C 3.207 -0.100 -1.844 1.00 . A A . 15 ALA C 1 1 7 2743 1 1 15 ALA CA C 2.218 -0.307 -0.712 1.00 . A A . 15 ALA CA 1 1 7 2744 1 1 15 ALA CB C 1.386 -1.563 -0.920 1.00 . A A . 15 ALA CB 1 1 7 2745 1 1 15 ALA H H 0.420 0.791 -0.771 1.00 . A A . 15 ALA H 1 1 7 2746 1 1 15 ALA HA H 2.786 -0.431 0.197 1.00 . A A . 15 ALA HA 1 1 7 2747 1 1 15 ALA HB1 H 0.844 -1.484 -1.850 1.00 . A A . 15 ALA HB1 1 1 7 2748 1 1 15 ALA HB2 H 0.688 -1.666 -0.098 1.00 . A A . 15 ALA HB2 1 1 7 2749 1 1 15 ALA HB3 H 2.044 -2.419 -0.951 1.00 . A A . 15 ALA HB3 1 1 7 2750 1 1 15 ALA N N 1.371 0.846 -0.529 1.00 . A A . 15 ALA N 1 1 7 2751 1 1 15 ALA O O 4.273 -0.669 -1.834 1.00 . A A . 15 ALA O 1 1 7 2752 1 1 16 THR C C 4.883 1.939 -3.429 1.00 . A A . 16 THR C 1 1 7 2753 1 1 16 THR CA C 3.768 0.994 -3.885 1.00 . A A . 16 THR CA 1 1 7 2754 1 1 16 THR CB C 3.034 1.553 -5.118 1.00 . A A . 16 THR CB 1 1 7 2755 1 1 16 THR CG2 C 3.995 1.762 -6.270 1.00 . A A . 16 THR CG2 1 1 7 2756 1 1 16 THR H H 1.983 1.146 -2.788 1.00 . A A . 16 THR H 1 1 7 2757 1 1 16 THR HA H 4.230 0.057 -4.154 1.00 . A A . 16 THR HA 1 1 7 2758 1 1 16 THR HB H 2.577 2.496 -4.853 1.00 . A A . 16 THR HB 1 1 7 2759 1 1 16 THR HG1 H 1.278 0.712 -4.940 1.00 . A A . 16 THR HG1 1 1 7 2760 1 1 16 THR HG21 H 4.426 0.811 -6.550 1.00 . A A . 16 THR HG21 1 1 7 2761 1 1 16 THR HG22 H 4.783 2.432 -5.962 1.00 . A A . 16 THR HG22 1 1 7 2762 1 1 16 THR HG23 H 3.474 2.185 -7.114 1.00 . A A . 16 THR HG23 1 1 7 2763 1 1 16 THR N N 2.861 0.714 -2.802 1.00 . A A . 16 THR N 1 1 7 2764 1 1 16 THR O O 6.033 1.778 -3.809 1.00 . A A . 16 THR O 1 1 7 2765 1 1 16 THR OG1 O 2.037 0.610 -5.529 1.00 . A A . 16 THR OG1 1 1 7 2766 1 1 17 ILE C C 6.410 3.133 -1.013 1.00 . A A . 17 ILE C 1 1 7 2767 1 1 17 ILE CA C 5.592 3.786 -2.146 1.00 . A A . 17 ILE CA 1 1 7 2768 1 1 17 ILE CB C 5.099 5.235 -1.784 1.00 . A A . 17 ILE CB 1 1 7 2769 1 1 17 ILE CD1 C 7.325 6.343 -2.415 1.00 . A A . 17 ILE CD1 1 1 7 2770 1 1 17 ILE CG1 C 6.267 6.130 -1.346 1.00 . A A . 17 ILE CG1 1 1 7 2771 1 1 17 ILE CG2 C 4.003 5.240 -0.730 1.00 . A A . 17 ILE CG2 1 1 7 2772 1 1 17 ILE H H 3.621 3.053 -2.350 1.00 . A A . 17 ILE H 1 1 7 2773 1 1 17 ILE HA H 6.275 3.866 -2.980 1.00 . A A . 17 ILE HA 1 1 7 2774 1 1 17 ILE HB H 4.677 5.650 -2.689 1.00 . A A . 17 ILE HB 1 1 7 2775 1 1 17 ILE HD11 H 8.084 7.015 -2.041 1.00 . A A . 17 ILE HD11 1 1 7 2776 1 1 17 ILE HD12 H 6.864 6.762 -3.297 1.00 . A A . 17 ILE HD12 1 1 7 2777 1 1 17 ILE HD13 H 7.779 5.397 -2.667 1.00 . A A . 17 ILE HD13 1 1 7 2778 1 1 17 ILE HG12 H 5.880 7.101 -1.076 1.00 . A A . 17 ILE HG12 1 1 7 2779 1 1 17 ILE HG13 H 6.745 5.689 -0.483 1.00 . A A . 17 ILE HG13 1 1 7 2780 1 1 17 ILE HG21 H 4.369 4.761 0.167 1.00 . A A . 17 ILE HG21 1 1 7 2781 1 1 17 ILE HG22 H 3.145 4.705 -1.109 1.00 . A A . 17 ILE HG22 1 1 7 2782 1 1 17 ILE HG23 H 3.729 6.261 -0.505 1.00 . A A . 17 ILE HG23 1 1 7 2783 1 1 17 ILE N N 4.556 2.920 -2.621 1.00 . A A . 17 ILE N 1 1 7 2784 1 1 17 ILE O O 7.619 3.042 -1.105 1.00 . A A . 17 ILE O 1 1 7 2785 1 1 18 PHE C C 6.863 0.641 0.931 1.00 . A A . 18 PHE C 1 1 7 2786 1 1 18 PHE CA C 6.432 2.082 1.170 1.00 . A A . 18 PHE CA 1 1 7 2787 1 1 18 PHE CB C 5.623 2.220 2.447 1.00 . A A . 18 PHE CB 1 1 7 2788 1 1 18 PHE CD1 C 6.324 4.561 2.948 1.00 . A A . 18 PHE CD1 1 1 7 2789 1 1 18 PHE CD2 C 3.999 4.061 2.925 1.00 . A A . 18 PHE CD2 1 1 7 2790 1 1 18 PHE CE1 C 6.048 5.869 3.251 1.00 . A A . 18 PHE CE1 1 1 7 2791 1 1 18 PHE CE2 C 3.714 5.371 3.228 1.00 . A A . 18 PHE CE2 1 1 7 2792 1 1 18 PHE CG C 5.307 3.644 2.779 1.00 . A A . 18 PHE CG 1 1 7 2793 1 1 18 PHE CZ C 4.741 6.279 3.392 1.00 . A A . 18 PHE CZ 1 1 7 2794 1 1 18 PHE H H 4.764 2.721 0.034 1.00 . A A . 18 PHE H 1 1 7 2795 1 1 18 PHE HA H 7.338 2.652 1.291 1.00 . A A . 18 PHE HA 1 1 7 2796 1 1 18 PHE HB2 H 4.693 1.686 2.339 1.00 . A A . 18 PHE HB2 1 1 7 2797 1 1 18 PHE HB3 H 6.186 1.801 3.268 1.00 . A A . 18 PHE HB3 1 1 7 2798 1 1 18 PHE HD1 H 7.345 4.235 2.829 1.00 . A A . 18 PHE HD1 1 1 7 2799 1 1 18 PHE HD2 H 3.199 3.347 2.796 1.00 . A A . 18 PHE HD2 1 1 7 2800 1 1 18 PHE HE1 H 6.854 6.575 3.382 1.00 . A A . 18 PHE HE1 1 1 7 2801 1 1 18 PHE HE2 H 2.687 5.689 3.337 1.00 . A A . 18 PHE HE2 1 1 7 2802 1 1 18 PHE HZ H 4.522 7.309 3.630 1.00 . A A . 18 PHE HZ 1 1 7 2803 1 1 18 PHE N N 5.745 2.679 0.031 1.00 . A A . 18 PHE N 1 1 7 2804 1 1 18 PHE O O 8.052 0.331 0.973 1.00 . A A . 18 PHE O 1 1 7 2805 1 1 19 GLY C C 7.102 -1.940 -0.609 1.00 . A A . 19 GLY C 1 1 7 2806 1 1 19 GLY CA C 6.143 -1.656 0.512 1.00 . A A . 19 GLY CA 1 1 7 2807 1 1 19 GLY H H 4.960 0.079 0.697 1.00 . A A . 19 GLY H 1 1 7 2808 1 1 19 GLY HA2 H 6.567 -2.051 1.422 1.00 . A A . 19 GLY HA2 1 1 7 2809 1 1 19 GLY HA3 H 5.207 -2.154 0.310 1.00 . A A . 19 GLY HA3 1 1 7 2810 1 1 19 GLY N N 5.891 -0.232 0.704 1.00 . A A . 19 GLY N 1 1 7 2811 1 1 19 GLY O O 8.046 -2.725 -0.454 1.00 . A A . 19 GLY O 1 1 7 2812 1 1 20 LEU C C 9.147 -0.899 -2.568 1.00 . A A . 20 LEU C 1 1 7 2813 1 1 20 LEU CA C 7.786 -1.459 -2.845 1.00 . A A . 20 LEU CA 1 1 7 2814 1 1 20 LEU CB C 7.240 -0.930 -4.146 1.00 . A A . 20 LEU CB 1 1 7 2815 1 1 20 LEU CD1 C 5.403 -2.582 -4.609 1.00 . A A . 20 LEU CD1 1 1 7 2816 1 1 20 LEU CD2 C 6.614 -1.434 -6.496 1.00 . A A . 20 LEU CD2 1 1 7 2817 1 1 20 LEU CG C 6.715 -1.980 -5.092 1.00 . A A . 20 LEU CG 1 1 7 2818 1 1 20 LEU H H 6.052 -0.787 -1.827 1.00 . A A . 20 LEU H 1 1 7 2819 1 1 20 LEU HA H 7.925 -2.524 -2.957 1.00 . A A . 20 LEU HA 1 1 7 2820 1 1 20 LEU HB2 H 6.426 -0.257 -3.913 1.00 . A A . 20 LEU HB2 1 1 7 2821 1 1 20 LEU HB3 H 8.019 -0.375 -4.643 1.00 . A A . 20 LEU HB3 1 1 7 2822 1 1 20 LEU HD11 H 5.101 -3.379 -5.272 1.00 . A A . 20 LEU HD11 1 1 7 2823 1 1 20 LEU HD12 H 4.645 -1.815 -4.618 1.00 . A A . 20 LEU HD12 1 1 7 2824 1 1 20 LEU HD13 H 5.528 -2.965 -3.606 1.00 . A A . 20 LEU HD13 1 1 7 2825 1 1 20 LEU HD21 H 5.951 -0.584 -6.505 1.00 . A A . 20 LEU HD21 1 1 7 2826 1 1 20 LEU HD22 H 6.249 -2.199 -7.165 1.00 . A A . 20 LEU HD22 1 1 7 2827 1 1 20 LEU HD23 H 7.600 -1.122 -6.811 1.00 . A A . 20 LEU HD23 1 1 7 2828 1 1 20 LEU HG H 7.467 -2.754 -5.087 1.00 . A A . 20 LEU HG 1 1 7 2829 1 1 20 LEU N N 6.881 -1.315 -1.737 1.00 . A A . 20 LEU N 1 1 7 2830 1 1 20 LEU O O 10.110 -1.427 -3.051 1.00 . A A . 20 LEU O 1 1 7 2831 1 1 21 ALA C C 11.307 -0.322 -0.555 1.00 . A A . 21 ALA C 1 1 7 2832 1 1 21 ALA CA C 10.541 0.683 -1.394 1.00 . A A . 21 ALA CA 1 1 7 2833 1 1 21 ALA CB C 10.426 1.997 -0.654 1.00 . A A . 21 ALA CB 1 1 7 2834 1 1 21 ALA H H 8.416 0.570 -1.452 1.00 . A A . 21 ALA H 1 1 7 2835 1 1 21 ALA HA H 11.094 0.844 -2.307 1.00 . A A . 21 ALA HA 1 1 7 2836 1 1 21 ALA HB1 H 9.876 2.707 -1.254 1.00 . A A . 21 ALA HB1 1 1 7 2837 1 1 21 ALA HB2 H 11.417 2.381 -0.460 1.00 . A A . 21 ALA HB2 1 1 7 2838 1 1 21 ALA HB3 H 9.907 1.838 0.280 1.00 . A A . 21 ALA HB3 1 1 7 2839 1 1 21 ALA N N 9.237 0.144 -1.773 1.00 . A A . 21 ALA N 1 1 7 2840 1 1 21 ALA O O 12.515 -0.335 -0.556 1.00 . A A . 21 ALA O 1 1 7 2841 1 1 22 ALA C C 11.843 -3.256 0.011 1.00 . A A . 22 ALA C 1 1 7 2842 1 1 22 ALA CA C 11.253 -2.197 0.919 1.00 . A A . 22 ALA CA 1 1 7 2843 1 1 22 ALA CB C 10.299 -2.819 1.918 1.00 . A A . 22 ALA CB 1 1 7 2844 1 1 22 ALA H H 9.621 -1.121 0.106 1.00 . A A . 22 ALA H 1 1 7 2845 1 1 22 ALA HA H 12.055 -1.721 1.461 1.00 . A A . 22 ALA HA 1 1 7 2846 1 1 22 ALA HB1 H 9.881 -2.050 2.550 1.00 . A A . 22 ALA HB1 1 1 7 2847 1 1 22 ALA HB2 H 10.844 -3.528 2.523 1.00 . A A . 22 ALA HB2 1 1 7 2848 1 1 22 ALA HB3 H 9.507 -3.327 1.392 1.00 . A A . 22 ALA HB3 1 1 7 2849 1 1 22 ALA N N 10.601 -1.180 0.135 1.00 . A A . 22 ALA N 1 1 7 2850 1 1 22 ALA O O 12.860 -3.847 0.315 1.00 . A A . 22 ALA O 1 1 7 2851 1 1 23 TRP C C 12.601 -3.930 -3.083 1.00 . A A . 23 TRP C 1 1 7 2852 1 1 23 TRP CA C 11.659 -4.488 -2.019 1.00 . A A . 23 TRP CA 1 1 7 2853 1 1 23 TRP CB C 10.500 -5.261 -2.617 1.00 . A A . 23 TRP CB 1 1 7 2854 1 1 23 TRP CD1 C 10.667 -7.704 -3.352 1.00 . A A . 23 TRP CD1 1 1 7 2855 1 1 23 TRP CD2 C 10.931 -7.378 -1.153 1.00 . A A . 23 TRP CD2 1 1 7 2856 1 1 23 TRP CE2 C 11.056 -8.747 -1.414 1.00 . A A . 23 TRP CE2 1 1 7 2857 1 1 23 TRP CE3 C 11.066 -6.922 0.169 1.00 . A A . 23 TRP CE3 1 1 7 2858 1 1 23 TRP CG C 10.670 -6.728 -2.408 1.00 . A A . 23 TRP CG 1 1 7 2859 1 1 23 TRP CH2 C 11.448 -9.201 0.874 1.00 . A A . 23 TRP CH2 1 1 7 2860 1 1 23 TRP CZ2 C 11.316 -9.675 -0.405 1.00 . A A . 23 TRP CZ2 1 1 7 2861 1 1 23 TRP CZ3 C 11.324 -7.836 1.163 1.00 . A A . 23 TRP CZ3 1 1 7 2862 1 1 23 TRP H H 10.373 -2.981 -1.281 1.00 . A A . 23 TRP H 1 1 7 2863 1 1 23 TRP HA H 12.239 -5.178 -1.423 1.00 . A A . 23 TRP HA 1 1 7 2864 1 1 23 TRP HB2 H 9.576 -4.940 -2.158 1.00 . A A . 23 TRP HB2 1 1 7 2865 1 1 23 TRP HB3 H 10.457 -5.064 -3.678 1.00 . A A . 23 TRP HB3 1 1 7 2866 1 1 23 TRP HD1 H 10.498 -7.526 -4.404 1.00 . A A . 23 TRP HD1 1 1 7 2867 1 1 23 TRP HE1 H 10.926 -9.787 -3.230 1.00 . A A . 23 TRP HE1 1 1 7 2868 1 1 23 TRP HE3 H 10.973 -5.873 0.410 1.00 . A A . 23 TRP HE3 1 1 7 2869 1 1 23 TRP HH2 H 11.654 -9.880 1.688 1.00 . A A . 23 TRP HH2 1 1 7 2870 1 1 23 TRP HZ2 H 11.412 -10.731 -0.612 1.00 . A A . 23 TRP HZ2 1 1 7 2871 1 1 23 TRP HZ3 H 11.437 -7.487 2.179 1.00 . A A . 23 TRP HZ3 1 1 7 2872 1 1 23 TRP N N 11.189 -3.494 -1.096 1.00 . A A . 23 TRP N 1 1 7 2873 1 1 23 TRP NE1 N 10.886 -8.923 -2.761 1.00 . A A . 23 TRP NE1 1 1 7 2874 1 1 23 TRP O O 13.560 -4.559 -3.452 1.00 . A A . 23 TRP O 1 1 7 2875 1 1 24 ALA C C 14.337 -1.485 -3.995 1.00 . A A . 24 ALA C 1 1 7 2876 1 1 24 ALA CA C 13.108 -2.159 -4.607 1.00 . A A . 24 ALA CA 1 1 7 2877 1 1 24 ALA CB C 12.304 -1.167 -5.429 1.00 . A A . 24 ALA CB 1 1 7 2878 1 1 24 ALA H H 11.435 -2.354 -3.345 1.00 . A A . 24 ALA H 1 1 7 2879 1 1 24 ALA HA H 13.434 -2.944 -5.272 1.00 . A A . 24 ALA HA 1 1 7 2880 1 1 24 ALA HB1 H 11.446 -1.669 -5.853 1.00 . A A . 24 ALA HB1 1 1 7 2881 1 1 24 ALA HB2 H 12.922 -0.770 -6.219 1.00 . A A . 24 ALA HB2 1 1 7 2882 1 1 24 ALA HB3 H 11.970 -0.356 -4.797 1.00 . A A . 24 ALA HB3 1 1 7 2883 1 1 24 ALA N N 12.274 -2.793 -3.615 1.00 . A A . 24 ALA N 1 1 7 2884 1 1 24 ALA O O 15.455 -1.746 -4.384 1.00 . A A . 24 ALA O 1 1 7 2885 1 1 25 LEU C C 15.907 -0.451 -1.340 1.00 . A A . 25 LEU C 1 1 7 2886 1 1 25 LEU CA C 15.114 0.251 -2.461 1.00 . A A . 25 LEU CA 1 1 7 2887 1 1 25 LEU CB C 14.428 1.503 -1.903 1.00 . A A . 25 LEU CB 1 1 7 2888 1 1 25 LEU CD1 C 16.179 3.205 -2.514 1.00 . A A . 25 LEU CD1 1 1 7 2889 1 1 25 LEU CD2 C 14.447 3.738 -0.799 1.00 . A A . 25 LEU CD2 1 1 7 2890 1 1 25 LEU CG C 15.313 2.645 -1.398 1.00 . A A . 25 LEU CG 1 1 7 2891 1 1 25 LEU H H 13.160 -0.485 -2.769 1.00 . A A . 25 LEU H 1 1 7 2892 1 1 25 LEU HA H 15.786 0.572 -3.242 1.00 . A A . 25 LEU HA 1 1 7 2893 1 1 25 LEU HB2 H 13.703 1.855 -2.617 1.00 . A A . 25 LEU HB2 1 1 7 2894 1 1 25 LEU HB3 H 13.853 1.150 -1.059 1.00 . A A . 25 LEU HB3 1 1 7 2895 1 1 25 LEU HD11 H 15.547 3.560 -3.314 1.00 . A A . 25 LEU HD11 1 1 7 2896 1 1 25 LEU HD12 H 16.840 2.436 -2.887 1.00 . A A . 25 LEU HD12 1 1 7 2897 1 1 25 LEU HD13 H 16.763 4.029 -2.131 1.00 . A A . 25 LEU HD13 1 1 7 2898 1 1 25 LEU HD21 H 13.905 3.344 0.046 1.00 . A A . 25 LEU HD21 1 1 7 2899 1 1 25 LEU HD22 H 13.745 4.086 -1.542 1.00 . A A . 25 LEU HD22 1 1 7 2900 1 1 25 LEU HD23 H 15.064 4.565 -0.480 1.00 . A A . 25 LEU HD23 1 1 7 2901 1 1 25 LEU HG H 15.962 2.270 -0.618 1.00 . A A . 25 LEU HG 1 1 7 2902 1 1 25 LEU N N 14.086 -0.593 -3.068 1.00 . A A . 25 LEU N 1 1 7 2903 1 1 25 LEU O O 17.118 -0.309 -1.246 1.00 . A A . 25 LEU O 1 1 7 2904 1 1 26 LEU C C 16.386 -3.124 0.484 1.00 . A A . 26 LEU C 1 1 7 2905 1 1 26 LEU CA C 15.782 -1.746 0.711 1.00 . A A . 26 LEU CA 1 1 7 2906 1 1 26 LEU CB C 14.691 -1.812 1.788 1.00 . A A . 26 LEU CB 1 1 7 2907 1 1 26 LEU CD1 C 15.979 -1.441 3.900 1.00 . A A . 26 LEU CD1 1 1 7 2908 1 1 26 LEU CD2 C 13.831 -2.741 3.952 1.00 . A A . 26 LEU CD2 1 1 7 2909 1 1 26 LEU CG C 15.070 -2.384 3.143 1.00 . A A . 26 LEU CG 1 1 7 2910 1 1 26 LEU H H 14.251 -1.321 -0.658 1.00 . A A . 26 LEU H 1 1 7 2911 1 1 26 LEU HA H 16.553 -1.087 1.063 1.00 . A A . 26 LEU HA 1 1 7 2912 1 1 26 LEU HB2 H 14.296 -0.819 1.946 1.00 . A A . 26 LEU HB2 1 1 7 2913 1 1 26 LEU HB3 H 13.908 -2.436 1.382 1.00 . A A . 26 LEU HB3 1 1 7 2914 1 1 26 LEU HD11 H 15.477 -0.498 4.057 1.00 . A A . 26 LEU HD11 1 1 7 2915 1 1 26 LEU HD12 H 16.877 -1.276 3.325 1.00 . A A . 26 LEU HD12 1 1 7 2916 1 1 26 LEU HD13 H 16.234 -1.881 4.853 1.00 . A A . 26 LEU HD13 1 1 7 2917 1 1 26 LEU HD21 H 14.136 -3.133 4.912 1.00 . A A . 26 LEU HD21 1 1 7 2918 1 1 26 LEU HD22 H 13.267 -3.495 3.422 1.00 . A A . 26 LEU HD22 1 1 7 2919 1 1 26 LEU HD23 H 13.213 -1.867 4.095 1.00 . A A . 26 LEU HD23 1 1 7 2920 1 1 26 LEU HG H 15.617 -3.293 2.949 1.00 . A A . 26 LEU HG 1 1 7 2921 1 1 26 LEU N N 15.206 -1.172 -0.493 1.00 . A A . 26 LEU N 1 1 7 2922 1 1 26 LEU O O 17.175 -3.598 1.297 1.00 . A A . 26 LEU O 1 1 7 2923 1 1 27 ALA C C 17.761 -5.107 -1.703 1.00 . A A . 27 ALA C 1 1 7 2924 1 1 27 ALA CA C 16.490 -5.096 -0.863 1.00 . A A . 27 ALA CA 1 1 7 2925 1 1 27 ALA CB C 15.396 -5.954 -1.479 1.00 . A A . 27 ALA CB 1 1 7 2926 1 1 27 ALA H H 15.458 -3.241 -1.209 1.00 . A A . 27 ALA H 1 1 7 2927 1 1 27 ALA HA H 16.744 -5.517 0.099 1.00 . A A . 27 ALA HA 1 1 7 2928 1 1 27 ALA HB1 H 14.515 -5.911 -0.855 1.00 . A A . 27 ALA HB1 1 1 7 2929 1 1 27 ALA HB2 H 15.724 -6.981 -1.549 1.00 . A A . 27 ALA HB2 1 1 7 2930 1 1 27 ALA HB3 H 15.154 -5.575 -2.462 1.00 . A A . 27 ALA HB3 1 1 7 2931 1 1 27 ALA N N 16.027 -3.739 -0.587 1.00 . A A . 27 ALA N 1 1 7 2932 1 1 27 ALA O O 17.686 -4.835 -2.914 1.00 . A A . 27 ALA O 1 1 7 2933 1 1 27 ALA OXT O 18.834 -5.418 -1.151 1.00 . A A . 27 ALA OXT 1 1 8 2934 1 1 1 ARG C C -12.152 -8.227 1.799 1.00 . A A . 1 ARG C 1 1 8 2935 1 1 1 ARG CA C -12.702 -9.617 1.649 1.00 . A A . 1 ARG CA 1 1 8 2936 1 1 1 ARG CB C -13.130 -10.125 3.034 1.00 . A A . 1 ARG CB 1 1 8 2937 1 1 1 ARG CD C -14.109 -11.856 4.499 1.00 . A A . 1 ARG CD 1 1 8 2938 1 1 1 ARG CG C -13.817 -11.475 3.068 1.00 . A A . 1 ARG CG 1 1 8 2939 1 1 1 ARG CZ C -14.539 -13.966 5.709 1.00 . A A . 1 ARG CZ 1 1 8 2940 1 1 1 ARG H1 H -11.397 -10.056 0.143 1.00 . A A . 1 ARG H1 1 1 8 2941 1 1 1 ARG H2 H -12.008 -11.433 0.878 1.00 . A A . 1 ARG H2 1 1 8 2942 1 1 1 ARG H3 H -10.824 -10.501 1.655 1.00 . A A . 1 ARG H3 1 1 8 2943 1 1 1 ARG HA H -13.555 -9.596 0.990 1.00 . A A . 1 ARG HA 1 1 8 2944 1 1 1 ARG HB2 H -12.259 -10.196 3.667 1.00 . A A . 1 ARG HB2 1 1 8 2945 1 1 1 ARG HB3 H -13.800 -9.394 3.458 1.00 . A A . 1 ARG HB3 1 1 8 2946 1 1 1 ARG HD2 H -13.176 -11.854 5.040 1.00 . A A . 1 ARG HD2 1 1 8 2947 1 1 1 ARG HD3 H -14.775 -11.118 4.924 1.00 . A A . 1 ARG HD3 1 1 8 2948 1 1 1 ARG HE H -15.306 -13.437 3.899 1.00 . A A . 1 ARG HE 1 1 8 2949 1 1 1 ARG HG2 H -14.751 -11.418 2.529 1.00 . A A . 1 ARG HG2 1 1 8 2950 1 1 1 ARG HG3 H -13.178 -12.229 2.630 1.00 . A A . 1 ARG HG3 1 1 8 2951 1 1 1 ARG HH11 H -13.078 -12.817 6.606 1.00 . A A . 1 ARG HH11 1 1 8 2952 1 1 1 ARG HH12 H -13.513 -14.245 7.442 1.00 . A A . 1 ARG HH12 1 1 8 2953 1 1 1 ARG HH21 H -15.878 -15.395 5.130 1.00 . A A . 1 ARG HH21 1 1 8 2954 1 1 1 ARG HH22 H -15.143 -15.675 6.640 1.00 . A A . 1 ARG HH22 1 1 8 2955 1 1 1 ARG N N -11.673 -10.466 1.058 1.00 . A A . 1 ARG N 1 1 8 2956 1 1 1 ARG NE N -14.706 -13.179 4.637 1.00 . A A . 1 ARG NE 1 1 8 2957 1 1 1 ARG NH1 N -13.648 -13.644 6.648 1.00 . A A . 1 ARG NH1 1 1 8 2958 1 1 1 ARG NH2 N -15.221 -15.088 5.824 1.00 . A A . 1 ARG NH2 1 1 8 2959 1 1 1 ARG O O -10.957 -8.023 1.610 1.00 . A A . 1 ARG O 1 1 8 2960 1 1 2 ASN C C -12.295 -5.112 1.153 1.00 . A A . 2 ASN C 1 1 8 2961 1 1 2 ASN CA C -12.677 -5.882 2.396 1.00 . A A . 2 ASN CA 1 1 8 2962 1 1 2 ASN CB C -11.587 -5.728 3.476 1.00 . A A . 2 ASN CB 1 1 8 2963 1 1 2 ASN CG C -12.024 -6.234 4.824 1.00 . A A . 2 ASN CG 1 1 8 2964 1 1 2 ASN H H -13.974 -7.537 2.193 1.00 . A A . 2 ASN H 1 1 8 2965 1 1 2 ASN HA H -13.582 -5.433 2.779 1.00 . A A . 2 ASN HA 1 1 8 2966 1 1 2 ASN HB2 H -10.711 -6.284 3.178 1.00 . A A . 2 ASN HB2 1 1 8 2967 1 1 2 ASN HB3 H -11.333 -4.683 3.567 1.00 . A A . 2 ASN HB3 1 1 8 2968 1 1 2 ASN HD21 H -12.771 -4.462 5.269 1.00 . A A . 2 ASN HD21 1 1 8 2969 1 1 2 ASN HD22 H -12.951 -5.693 6.474 1.00 . A A . 2 ASN HD22 1 1 8 2970 1 1 2 ASN N N -13.028 -7.282 2.128 1.00 . A A . 2 ASN N 1 1 8 2971 1 1 2 ASN ND2 N -12.636 -5.379 5.599 1.00 . A A . 2 ASN ND2 1 1 8 2972 1 1 2 ASN O O -11.750 -4.008 1.261 1.00 . A A . 2 ASN O 1 1 8 2973 1 1 2 ASN OD1 O -11.808 -7.395 5.167 1.00 . A A . 2 ASN OD1 1 1 8 2974 1 1 3 LYS C C -13.129 -3.682 -1.289 1.00 . A A . 3 LYS C 1 1 8 2975 1 1 3 LYS CA C -12.336 -4.983 -1.275 1.00 . A A . 3 LYS CA 1 1 8 2976 1 1 3 LYS CB C -12.772 -5.817 -2.472 1.00 . A A . 3 LYS CB 1 1 8 2977 1 1 3 LYS CD C -13.275 -5.594 -4.932 1.00 . A A . 3 LYS CD 1 1 8 2978 1 1 3 LYS CE C -14.650 -4.956 -4.736 1.00 . A A . 3 LYS CE 1 1 8 2979 1 1 3 LYS CG C -12.345 -5.211 -3.798 1.00 . A A . 3 LYS CG 1 1 8 2980 1 1 3 LYS H H -13.015 -6.553 -0.032 1.00 . A A . 3 LYS H 1 1 8 2981 1 1 3 LYS HA H -11.279 -4.770 -1.340 1.00 . A A . 3 LYS HA 1 1 8 2982 1 1 3 LYS HB2 H -12.348 -6.807 -2.390 1.00 . A A . 3 LYS HB2 1 1 8 2983 1 1 3 LYS HB3 H -13.847 -5.901 -2.463 1.00 . A A . 3 LYS HB3 1 1 8 2984 1 1 3 LYS HD2 H -12.858 -5.248 -5.867 1.00 . A A . 3 LYS HD2 1 1 8 2985 1 1 3 LYS HD3 H -13.378 -6.669 -4.950 1.00 . A A . 3 LYS HD3 1 1 8 2986 1 1 3 LYS HE2 H -15.129 -5.366 -3.860 1.00 . A A . 3 LYS HE2 1 1 8 2987 1 1 3 LYS HE3 H -14.508 -3.896 -4.590 1.00 . A A . 3 LYS HE3 1 1 8 2988 1 1 3 LYS HG2 H -12.354 -4.137 -3.699 1.00 . A A . 3 LYS HG2 1 1 8 2989 1 1 3 LYS HG3 H -11.344 -5.544 -4.025 1.00 . A A . 3 LYS HG3 1 1 8 2990 1 1 3 LYS HZ1 H -15.709 -6.166 -6.089 1.00 . A A . 3 LYS HZ1 1 1 8 2991 1 1 3 LYS HZ2 H -15.117 -4.759 -6.743 1.00 . A A . 3 LYS HZ2 1 1 8 2992 1 1 3 LYS HZ3 H -16.452 -4.700 -5.735 1.00 . A A . 3 LYS HZ3 1 1 8 2993 1 1 3 LYS N N -12.601 -5.665 -0.019 1.00 . A A . 3 LYS N 1 1 8 2994 1 1 3 LYS NZ N -15.533 -5.163 -5.882 1.00 . A A . 3 LYS NZ 1 1 8 2995 1 1 3 LYS O O -14.323 -3.666 -0.961 1.00 . A A . 3 LYS O 1 1 8 2996 1 1 4 LEU C C -12.135 -0.414 -2.373 1.00 . A A . 4 LEU C 1 1 8 2997 1 1 4 LEU CA C -13.052 -1.319 -1.618 1.00 . A A . 4 LEU CA 1 1 8 2998 1 1 4 LEU CB C -13.123 -0.875 -0.145 1.00 . A A . 4 LEU CB 1 1 8 2999 1 1 4 LEU CD1 C -15.232 0.508 -0.232 1.00 . A A . 4 LEU CD1 1 1 8 3000 1 1 4 LEU CD2 C -13.596 0.825 1.627 1.00 . A A . 4 LEU CD2 1 1 8 3001 1 1 4 LEU CG C -13.764 0.489 0.160 1.00 . A A . 4 LEU CG 1 1 8 3002 1 1 4 LEU H H -11.580 -2.708 -2.043 1.00 . A A . 4 LEU H 1 1 8 3003 1 1 4 LEU HA H -14.041 -1.299 -2.046 1.00 . A A . 4 LEU HA 1 1 8 3004 1 1 4 LEU HB2 H -13.682 -1.634 0.383 1.00 . A A . 4 LEU HB2 1 1 8 3005 1 1 4 LEU HB3 H -12.112 -0.872 0.240 1.00 . A A . 4 LEU HB3 1 1 8 3006 1 1 4 LEU HD11 H -15.666 1.466 0.014 1.00 . A A . 4 LEU HD11 1 1 8 3007 1 1 4 LEU HD12 H -15.756 -0.277 0.293 1.00 . A A . 4 LEU HD12 1 1 8 3008 1 1 4 LEU HD13 H -15.312 0.343 -1.295 1.00 . A A . 4 LEU HD13 1 1 8 3009 1 1 4 LEU HD21 H -12.545 0.851 1.869 1.00 . A A . 4 LEU HD21 1 1 8 3010 1 1 4 LEU HD22 H -14.085 0.070 2.226 1.00 . A A . 4 LEU HD22 1 1 8 3011 1 1 4 LEU HD23 H -14.037 1.790 1.826 1.00 . A A . 4 LEU HD23 1 1 8 3012 1 1 4 LEU HG H -13.269 1.254 -0.419 1.00 . A A . 4 LEU HG 1 1 8 3013 1 1 4 LEU N N -12.485 -2.626 -1.672 1.00 . A A . 4 LEU N 1 1 8 3014 1 1 4 LEU O O -10.956 -0.750 -2.539 1.00 . A A . 4 LEU O 1 1 8 3015 1 1 5 ALA C C -10.657 2.133 -2.639 1.00 . A A . 5 ALA C 1 1 8 3016 1 1 5 ALA CA C -11.849 1.720 -3.501 1.00 . A A . 5 ALA CA 1 1 8 3017 1 1 5 ALA CB C -12.710 2.912 -3.855 1.00 . A A . 5 ALA CB 1 1 8 3018 1 1 5 ALA H H -13.628 0.817 -2.778 1.00 . A A . 5 ALA H 1 1 8 3019 1 1 5 ALA HA H -11.468 1.286 -4.410 1.00 . A A . 5 ALA HA 1 1 8 3020 1 1 5 ALA HB1 H -12.131 3.622 -4.427 1.00 . A A . 5 ALA HB1 1 1 8 3021 1 1 5 ALA HB2 H -13.061 3.376 -2.945 1.00 . A A . 5 ALA HB2 1 1 8 3022 1 1 5 ALA HB3 H -13.554 2.576 -4.438 1.00 . A A . 5 ALA HB3 1 1 8 3023 1 1 5 ALA N N -12.651 0.706 -2.833 1.00 . A A . 5 ALA N 1 1 8 3024 1 1 5 ALA O O -9.550 2.318 -3.133 1.00 . A A . 5 ALA O 1 1 8 3025 1 1 6 TYR C C -8.928 1.373 -0.126 1.00 . A A . 6 TYR C 1 1 8 3026 1 1 6 TYR CA C -9.834 2.552 -0.400 1.00 . A A . 6 TYR CA 1 1 8 3027 1 1 6 TYR CB C -10.387 3.146 0.899 1.00 . A A . 6 TYR CB 1 1 8 3028 1 1 6 TYR CD1 C -12.175 4.862 0.368 1.00 . A A . 6 TYR CD1 1 1 8 3029 1 1 6 TYR CD2 C -9.989 5.625 0.953 1.00 . A A . 6 TYR CD2 1 1 8 3030 1 1 6 TYR CE1 C -12.583 6.177 0.209 1.00 . A A . 6 TYR CE1 1 1 8 3031 1 1 6 TYR CE2 C -10.388 6.927 0.801 1.00 . A A . 6 TYR CE2 1 1 8 3032 1 1 6 TYR CG C -10.867 4.567 0.744 1.00 . A A . 6 TYR CG 1 1 8 3033 1 1 6 TYR CZ C -11.676 7.204 0.426 1.00 . A A . 6 TYR CZ 1 1 8 3034 1 1 6 TYR H H -11.807 2.069 -1.057 1.00 . A A . 6 TYR H 1 1 8 3035 1 1 6 TYR HA H -9.226 3.303 -0.882 1.00 . A A . 6 TYR HA 1 1 8 3036 1 1 6 TYR HB2 H -11.218 2.552 1.249 1.00 . A A . 6 TYR HB2 1 1 8 3037 1 1 6 TYR HB3 H -9.608 3.140 1.645 1.00 . A A . 6 TYR HB3 1 1 8 3038 1 1 6 TYR HD1 H -12.871 4.053 0.201 1.00 . A A . 6 TYR HD1 1 1 8 3039 1 1 6 TYR HD2 H -8.972 5.415 1.248 1.00 . A A . 6 TYR HD2 1 1 8 3040 1 1 6 TYR HE1 H -13.601 6.392 -0.079 1.00 . A A . 6 TYR HE1 1 1 8 3041 1 1 6 TYR HE2 H -9.687 7.730 0.966 1.00 . A A . 6 TYR HE2 1 1 8 3042 1 1 6 TYR HH H -12.965 8.622 0.582 1.00 . A A . 6 TYR HH 1 1 8 3043 1 1 6 TYR N N -10.886 2.222 -1.347 1.00 . A A . 6 TYR N 1 1 8 3044 1 1 6 TYR O O -7.790 1.547 0.268 1.00 . A A . 6 TYR O 1 1 8 3045 1 1 6 TYR OH O -12.060 8.510 0.269 1.00 . A A . 6 TYR OH 1 1 8 3046 1 1 7 ASN C C -7.656 -1.163 -1.306 1.00 . A A . 7 ASN C 1 1 8 3047 1 1 7 ASN CA C -8.627 -1.014 -0.158 1.00 . A A . 7 ASN CA 1 1 8 3048 1 1 7 ASN CB C -9.506 -2.264 -0.058 1.00 . A A . 7 ASN CB 1 1 8 3049 1 1 7 ASN CG C -8.704 -3.545 0.136 1.00 . A A . 7 ASN CG 1 1 8 3050 1 1 7 ASN H H -10.341 0.108 -0.688 1.00 . A A . 7 ASN H 1 1 8 3051 1 1 7 ASN HA H -8.073 -0.896 0.760 1.00 . A A . 7 ASN HA 1 1 8 3052 1 1 7 ASN HB2 H -10.194 -2.156 0.770 1.00 . A A . 7 ASN HB2 1 1 8 3053 1 1 7 ASN HB3 H -10.079 -2.361 -0.970 1.00 . A A . 7 ASN HB3 1 1 8 3054 1 1 7 ASN HD21 H -8.895 -3.417 2.102 1.00 . A A . 7 ASN HD21 1 1 8 3055 1 1 7 ASN HD22 H -7.999 -4.768 1.531 1.00 . A A . 7 ASN HD22 1 1 8 3056 1 1 7 ASN N N -9.427 0.185 -0.348 1.00 . A A . 7 ASN N 1 1 8 3057 1 1 7 ASN ND2 N -8.515 -3.946 1.374 1.00 . A A . 7 ASN ND2 1 1 8 3058 1 1 7 ASN O O -6.475 -1.239 -1.123 1.00 . A A . 7 ASN O 1 1 8 3059 1 1 7 ASN OD1 O -8.293 -4.183 -0.827 1.00 . A A . 7 ASN OD1 1 1 8 3060 1 1 8 MET C C -6.625 -0.094 -4.053 1.00 . A A . 8 MET C 1 1 8 3061 1 1 8 MET CA C -7.341 -1.378 -3.645 1.00 . A A . 8 MET CA 1 1 8 3062 1 1 8 MET CB C -8.106 -2.013 -4.806 1.00 . A A . 8 MET CB 1 1 8 3063 1 1 8 MET CE C -6.018 -4.389 -3.526 1.00 . A A . 8 MET CE 1 1 8 3064 1 1 8 MET CG C -8.509 -3.486 -4.608 1.00 . A A . 8 MET CG 1 1 8 3065 1 1 8 MET H H -9.151 -1.113 -2.575 1.00 . A A . 8 MET H 1 1 8 3066 1 1 8 MET HA H -6.582 -2.067 -3.320 1.00 . A A . 8 MET HA 1 1 8 3067 1 1 8 MET HB2 H -9.011 -1.444 -4.953 1.00 . A A . 8 MET HB2 1 1 8 3068 1 1 8 MET HB3 H -7.503 -1.942 -5.697 1.00 . A A . 8 MET HB3 1 1 8 3069 1 1 8 MET HE1 H -6.545 -4.333 -2.585 1.00 . A A . 8 MET HE1 1 1 8 3070 1 1 8 MET HE2 H -5.451 -3.491 -3.717 1.00 . A A . 8 MET HE2 1 1 8 3071 1 1 8 MET HE3 H -5.319 -5.210 -3.482 1.00 . A A . 8 MET HE3 1 1 8 3072 1 1 8 MET HG2 H -8.855 -3.603 -3.591 1.00 . A A . 8 MET HG2 1 1 8 3073 1 1 8 MET HG3 H -9.324 -3.714 -5.279 1.00 . A A . 8 MET HG3 1 1 8 3074 1 1 8 MET N N -8.176 -1.211 -2.486 1.00 . A A . 8 MET N 1 1 8 3075 1 1 8 MET O O -5.395 -0.019 -4.031 1.00 . A A . 8 MET O 1 1 8 3076 1 1 8 MET SD S -7.172 -4.706 -4.874 1.00 . A A . 8 MET SD 1 1 8 3077 1 1 9 GLY C C -6.062 2.948 -3.909 1.00 . A A . 9 GLY C 1 1 8 3078 1 1 9 GLY CA C -6.864 2.144 -4.904 1.00 . A A . 9 GLY CA 1 1 8 3079 1 1 9 GLY H H -8.368 0.844 -4.223 1.00 . A A . 9 GLY H 1 1 8 3080 1 1 9 GLY HA2 H -6.216 1.894 -5.730 1.00 . A A . 9 GLY HA2 1 1 8 3081 1 1 9 GLY HA3 H -7.678 2.752 -5.271 1.00 . A A . 9 GLY HA3 1 1 8 3082 1 1 9 GLY N N -7.401 0.916 -4.369 1.00 . A A . 9 GLY N 1 1 8 3083 1 1 9 GLY O O -4.963 3.402 -4.225 1.00 . A A . 9 GLY O 1 1 8 3084 1 1 10 HIS C C -4.635 3.244 -1.183 1.00 . A A . 10 HIS C 1 1 8 3085 1 1 10 HIS CA C -5.896 3.936 -1.724 1.00 . A A . 10 HIS CA 1 1 8 3086 1 1 10 HIS CB C -6.839 4.365 -0.605 1.00 . A A . 10 HIS CB 1 1 8 3087 1 1 10 HIS CD2 C -5.934 5.333 1.592 1.00 . A A . 10 HIS CD2 1 1 8 3088 1 1 10 HIS CE1 C -5.315 7.260 0.839 1.00 . A A . 10 HIS CE1 1 1 8 3089 1 1 10 HIS CG C -6.249 5.386 0.283 1.00 . A A . 10 HIS CG 1 1 8 3090 1 1 10 HIS H H -7.439 2.683 -2.512 1.00 . A A . 10 HIS H 1 1 8 3091 1 1 10 HIS HA H -5.546 4.824 -2.236 1.00 . A A . 10 HIS HA 1 1 8 3092 1 1 10 HIS HB2 H -7.734 4.788 -1.035 1.00 . A A . 10 HIS HB2 1 1 8 3093 1 1 10 HIS HB3 H -7.091 3.504 -0.003 1.00 . A A . 10 HIS HB3 1 1 8 3094 1 1 10 HIS HD1 H -5.945 6.966 -1.078 1.00 . A A . 10 HIS HD1 1 1 8 3095 1 1 10 HIS HD2 H -6.139 4.504 2.254 1.00 . A A . 10 HIS HD2 1 1 8 3096 1 1 10 HIS HE1 H -4.895 8.245 0.728 1.00 . A A . 10 HIS HE1 1 1 8 3097 1 1 10 HIS N N -6.581 3.114 -2.713 1.00 . A A . 10 HIS N 1 1 8 3098 1 1 10 HIS ND1 N -5.854 6.613 -0.162 1.00 . A A . 10 HIS ND1 1 1 8 3099 1 1 10 HIS NE2 N -5.329 6.536 1.950 1.00 . A A . 10 HIS NE2 1 1 8 3100 1 1 10 HIS O O -3.590 3.894 -1.001 1.00 . A A . 10 HIS O 1 1 8 3101 1 1 11 TYR C C -2.466 1.189 -1.576 1.00 . A A . 11 TYR C 1 1 8 3102 1 1 11 TYR CA C -3.523 1.181 -0.525 1.00 . A A . 11 TYR CA 1 1 8 3103 1 1 11 TYR CB C -3.814 -0.257 -0.164 1.00 . A A . 11 TYR CB 1 1 8 3104 1 1 11 TYR CD1 C -3.469 -0.993 2.202 1.00 . A A . 11 TYR CD1 1 1 8 3105 1 1 11 TYR CD2 C -5.635 -0.259 1.573 1.00 . A A . 11 TYR CD2 1 1 8 3106 1 1 11 TYR CE1 C -3.915 -1.253 3.476 1.00 . A A . 11 TYR CE1 1 1 8 3107 1 1 11 TYR CE2 C -6.101 -0.507 2.845 1.00 . A A . 11 TYR CE2 1 1 8 3108 1 1 11 TYR CG C -4.322 -0.498 1.231 1.00 . A A . 11 TYR CG 1 1 8 3109 1 1 11 TYR CZ C -5.237 -1.006 3.797 1.00 . A A . 11 TYR CZ 1 1 8 3110 1 1 11 TYR H H -5.563 1.458 -1.053 1.00 . A A . 11 TYR H 1 1 8 3111 1 1 11 TYR HA H -3.125 1.678 0.347 1.00 . A A . 11 TYR HA 1 1 8 3112 1 1 11 TYR HB2 H -4.545 -0.633 -0.863 1.00 . A A . 11 TYR HB2 1 1 8 3113 1 1 11 TYR HB3 H -2.902 -0.822 -0.292 1.00 . A A . 11 TYR HB3 1 1 8 3114 1 1 11 TYR HD1 H -2.436 -1.187 1.950 1.00 . A A . 11 TYR HD1 1 1 8 3115 1 1 11 TYR HD2 H -6.292 0.130 0.808 1.00 . A A . 11 TYR HD2 1 1 8 3116 1 1 11 TYR HE1 H -3.216 -1.638 4.201 1.00 . A A . 11 TYR HE1 1 1 8 3117 1 1 11 TYR HE2 H -7.135 -0.313 3.090 1.00 . A A . 11 TYR HE2 1 1 8 3118 1 1 11 TYR HH H -5.020 -1.050 5.713 1.00 . A A . 11 TYR HH 1 1 8 3119 1 1 11 TYR N N -4.707 1.928 -0.951 1.00 . A A . 11 TYR N 1 1 8 3120 1 1 11 TYR O O -1.307 1.178 -1.249 1.00 . A A . 11 TYR O 1 1 8 3121 1 1 11 TYR OH O -5.699 -1.270 5.062 1.00 . A A . 11 TYR OH 1 1 8 3122 1 1 12 ALA C C -0.988 2.449 -3.814 1.00 . A A . 12 ALA C 1 1 8 3123 1 1 12 ALA CA C -1.928 1.258 -3.954 1.00 . A A . 12 ALA CA 1 1 8 3124 1 1 12 ALA CB C -2.656 1.298 -5.286 1.00 . A A . 12 ALA CB 1 1 8 3125 1 1 12 ALA H H -3.833 1.184 -3.038 1.00 . A A . 12 ALA H 1 1 8 3126 1 1 12 ALA HA H -1.343 0.352 -3.908 1.00 . A A . 12 ALA HA 1 1 8 3127 1 1 12 ALA HB1 H -1.943 1.233 -6.093 1.00 . A A . 12 ALA HB1 1 1 8 3128 1 1 12 ALA HB2 H -3.198 2.228 -5.364 1.00 . A A . 12 ALA HB2 1 1 8 3129 1 1 12 ALA HB3 H -3.347 0.468 -5.347 1.00 . A A . 12 ALA HB3 1 1 8 3130 1 1 12 ALA N N -2.872 1.220 -2.845 1.00 . A A . 12 ALA N 1 1 8 3131 1 1 12 ALA O O 0.205 2.340 -4.067 1.00 . A A . 12 ALA O 1 1 8 3132 1 1 13 GLY C C 0.235 4.542 -1.954 1.00 . A A . 13 GLY C 1 1 8 3133 1 1 13 GLY CA C -0.709 4.732 -3.126 1.00 . A A . 13 GLY CA 1 1 8 3134 1 1 13 GLY H H -2.485 3.571 -3.146 1.00 . A A . 13 GLY H 1 1 8 3135 1 1 13 GLY HA2 H -0.124 4.930 -4.010 1.00 . A A . 13 GLY HA2 1 1 8 3136 1 1 13 GLY HA3 H -1.346 5.579 -2.920 1.00 . A A . 13 GLY HA3 1 1 8 3137 1 1 13 GLY N N -1.524 3.562 -3.347 1.00 . A A . 13 GLY N 1 1 8 3138 1 1 13 GLY O O 1.445 4.772 -2.074 1.00 . A A . 13 GLY O 1 1 8 3139 1 1 14 LYS C C 1.505 2.746 0.235 1.00 . A A . 14 LYS C 1 1 8 3140 1 1 14 LYS CA C 0.483 3.862 0.377 1.00 . A A . 14 LYS CA 1 1 8 3141 1 1 14 LYS CB C -0.402 3.669 1.628 1.00 . A A . 14 LYS CB 1 1 8 3142 1 1 14 LYS CD C -1.646 5.871 1.372 1.00 . A A . 14 LYS CD 1 1 8 3143 1 1 14 LYS CE C -1.897 7.237 1.993 1.00 . A A . 14 LYS CE 1 1 8 3144 1 1 14 LYS CG C -0.835 4.978 2.299 1.00 . A A . 14 LYS CG 1 1 8 3145 1 1 14 LYS H H -1.255 3.808 -0.860 1.00 . A A . 14 LYS H 1 1 8 3146 1 1 14 LYS HA H 1.042 4.778 0.500 1.00 . A A . 14 LYS HA 1 1 8 3147 1 1 14 LYS HB2 H -1.294 3.130 1.344 1.00 . A A . 14 LYS HB2 1 1 8 3148 1 1 14 LYS HB3 H 0.152 3.088 2.351 1.00 . A A . 14 LYS HB3 1 1 8 3149 1 1 14 LYS HD2 H -1.114 5.991 0.440 1.00 . A A . 14 LYS HD2 1 1 8 3150 1 1 14 LYS HD3 H -2.597 5.393 1.185 1.00 . A A . 14 LYS HD3 1 1 8 3151 1 1 14 LYS HE2 H -0.951 7.683 2.254 1.00 . A A . 14 LYS HE2 1 1 8 3152 1 1 14 LYS HE3 H -2.397 7.855 1.264 1.00 . A A . 14 LYS HE3 1 1 8 3153 1 1 14 LYS HG2 H -1.424 4.735 3.171 1.00 . A A . 14 LYS HG2 1 1 8 3154 1 1 14 LYS HG3 H 0.053 5.507 2.614 1.00 . A A . 14 LYS HG3 1 1 8 3155 1 1 14 LYS HZ1 H -2.868 8.108 3.629 1.00 . A A . 14 LYS HZ1 1 1 8 3156 1 1 14 LYS HZ2 H -2.321 6.568 3.961 1.00 . A A . 14 LYS HZ2 1 1 8 3157 1 1 14 LYS HZ3 H -3.678 6.778 3.003 1.00 . A A . 14 LYS HZ3 1 1 8 3158 1 1 14 LYS N N -0.304 4.055 -0.843 1.00 . A A . 14 LYS N 1 1 8 3159 1 1 14 LYS NZ N -2.735 7.162 3.217 1.00 . A A . 14 LYS NZ 1 1 8 3160 1 1 14 LYS O O 2.597 2.812 0.799 1.00 . A A . 14 LYS O 1 1 8 3161 1 1 15 ALA C C 3.177 1.065 -1.723 1.00 . A A . 15 ALA C 1 1 8 3162 1 1 15 ALA CA C 2.073 0.654 -0.770 1.00 . A A . 15 ALA CA 1 1 8 3163 1 1 15 ALA CB C 1.334 -0.571 -1.271 1.00 . A A . 15 ALA CB 1 1 8 3164 1 1 15 ALA H H 0.281 1.720 -0.945 1.00 . A A . 15 ALA H 1 1 8 3165 1 1 15 ALA HA H 2.531 0.415 0.176 1.00 . A A . 15 ALA HA 1 1 8 3166 1 1 15 ALA HB1 H 0.577 -0.854 -0.552 1.00 . A A . 15 ALA HB1 1 1 8 3167 1 1 15 ALA HB2 H 2.043 -1.375 -1.395 1.00 . A A . 15 ALA HB2 1 1 8 3168 1 1 15 ALA HB3 H 0.870 -0.340 -2.218 1.00 . A A . 15 ALA HB3 1 1 8 3169 1 1 15 ALA N N 1.175 1.745 -0.533 1.00 . A A . 15 ALA N 1 1 8 3170 1 1 15 ALA O O 4.265 0.546 -1.659 1.00 . A A . 15 ALA O 1 1 8 3171 1 1 16 THR C C 4.918 3.401 -2.732 1.00 . A A . 16 THR C 1 1 8 3172 1 1 16 THR CA C 3.943 2.479 -3.480 1.00 . A A . 16 THR CA 1 1 8 3173 1 1 16 THR CB C 3.375 3.179 -4.730 1.00 . A A . 16 THR CB 1 1 8 3174 1 1 16 THR CG2 C 4.490 3.498 -5.711 1.00 . A A . 16 THR CG2 1 1 8 3175 1 1 16 THR H H 2.000 2.365 -2.640 1.00 . A A . 16 THR H 1 1 8 3176 1 1 16 THR HA H 4.501 1.608 -3.794 1.00 . A A . 16 THR HA 1 1 8 3177 1 1 16 THR HB H 2.885 4.097 -4.439 1.00 . A A . 16 THR HB 1 1 8 3178 1 1 16 THR HG1 H 1.625 2.280 -4.908 1.00 . A A . 16 THR HG1 1 1 8 3179 1 1 16 THR HG21 H 5.210 4.149 -5.239 1.00 . A A . 16 THR HG21 1 1 8 3180 1 1 16 THR HG22 H 4.085 3.978 -6.589 1.00 . A A . 16 THR HG22 1 1 8 3181 1 1 16 THR HG23 H 4.975 2.572 -5.986 1.00 . A A . 16 THR HG23 1 1 8 3182 1 1 16 THR N N 2.908 2.000 -2.594 1.00 . A A . 16 THR N 1 1 8 3183 1 1 16 THR O O 6.113 3.381 -2.976 1.00 . A A . 16 THR O 1 1 8 3184 1 1 16 THR OG1 O 2.470 2.287 -5.380 1.00 . A A . 16 THR OG1 1 1 8 3185 1 1 17 ILE C C 6.035 4.252 0.034 1.00 . A A . 17 ILE C 1 1 8 3186 1 1 17 ILE CA C 5.325 5.052 -1.087 1.00 . A A . 17 ILE CA 1 1 8 3187 1 1 17 ILE CB C 4.639 6.363 -0.553 1.00 . A A . 17 ILE CB 1 1 8 3188 1 1 17 ILE CD1 C 6.773 7.788 -0.553 1.00 . A A . 17 ILE CD1 1 1 8 3189 1 1 17 ILE CG1 C 5.611 7.243 0.251 1.00 . A A . 17 ILE CG1 1 1 8 3190 1 1 17 ILE CG2 C 3.389 6.069 0.254 1.00 . A A . 17 ILE CG2 1 1 8 3191 1 1 17 ILE H H 3.450 4.277 -1.702 1.00 . A A . 17 ILE H 1 1 8 3192 1 1 17 ILE HA H 6.095 5.335 -1.790 1.00 . A A . 17 ILE HA 1 1 8 3193 1 1 17 ILE HB H 4.325 6.917 -1.424 1.00 . A A . 17 ILE HB 1 1 8 3194 1 1 17 ILE HD11 H 6.395 8.387 -1.368 1.00 . A A . 17 ILE HD11 1 1 8 3195 1 1 17 ILE HD12 H 7.364 6.971 -0.939 1.00 . A A . 17 ILE HD12 1 1 8 3196 1 1 17 ILE HD13 H 7.387 8.403 0.088 1.00 . A A . 17 ILE HD13 1 1 8 3197 1 1 17 ILE HG12 H 5.068 8.085 0.653 1.00 . A A . 17 ILE HG12 1 1 8 3198 1 1 17 ILE HG13 H 6.006 6.658 1.068 1.00 . A A . 17 ILE HG13 1 1 8 3199 1 1 17 ILE HG21 H 3.649 5.459 1.107 1.00 . A A . 17 ILE HG21 1 1 8 3200 1 1 17 ILE HG22 H 2.688 5.535 -0.368 1.00 . A A . 17 ILE HG22 1 1 8 3201 1 1 17 ILE HG23 H 2.949 6.994 0.590 1.00 . A A . 17 ILE HG23 1 1 8 3202 1 1 17 ILE N N 4.421 4.220 -1.837 1.00 . A A . 17 ILE N 1 1 8 3203 1 1 17 ILE O O 7.258 4.175 0.064 1.00 . A A . 17 ILE O 1 1 8 3204 1 1 18 PHE C C 6.362 1.522 1.657 1.00 . A A . 18 PHE C 1 1 8 3205 1 1 18 PHE CA C 5.825 2.886 2.035 1.00 . A A . 18 PHE CA 1 1 8 3206 1 1 18 PHE CB C 4.838 2.796 3.195 1.00 . A A . 18 PHE CB 1 1 8 3207 1 1 18 PHE CD1 C 3.083 4.483 3.812 1.00 . A A . 18 PHE CD1 1 1 8 3208 1 1 18 PHE CD2 C 5.376 5.074 4.066 1.00 . A A . 18 PHE CD2 1 1 8 3209 1 1 18 PHE CE1 C 2.706 5.734 4.268 1.00 . A A . 18 PHE CE1 1 1 8 3210 1 1 18 PHE CE2 C 5.010 6.325 4.523 1.00 . A A . 18 PHE CE2 1 1 8 3211 1 1 18 PHE CG C 4.421 4.141 3.707 1.00 . A A . 18 PHE CG 1 1 8 3212 1 1 18 PHE CZ C 3.674 6.655 4.628 1.00 . A A . 18 PHE CZ 1 1 8 3213 1 1 18 PHE H H 4.287 3.646 0.800 1.00 . A A . 18 PHE H 1 1 8 3214 1 1 18 PHE HA H 6.671 3.470 2.366 1.00 . A A . 18 PHE HA 1 1 8 3215 1 1 18 PHE HB2 H 3.954 2.272 2.865 1.00 . A A . 18 PHE HB2 1 1 8 3216 1 1 18 PHE HB3 H 5.297 2.248 4.007 1.00 . A A . 18 PHE HB3 1 1 8 3217 1 1 18 PHE HD1 H 2.331 3.759 3.534 1.00 . A A . 18 PHE HD1 1 1 8 3218 1 1 18 PHE HD2 H 6.419 4.805 3.972 1.00 . A A . 18 PHE HD2 1 1 8 3219 1 1 18 PHE HE1 H 1.660 5.992 4.342 1.00 . A A . 18 PHE HE1 1 1 8 3220 1 1 18 PHE HE2 H 5.767 7.041 4.803 1.00 . A A . 18 PHE HE2 1 1 8 3221 1 1 18 PHE HZ H 3.385 7.634 4.985 1.00 . A A . 18 PHE HZ 1 1 8 3222 1 1 18 PHE N N 5.265 3.623 0.910 1.00 . A A . 18 PHE N 1 1 8 3223 1 1 18 PHE O O 7.512 1.198 1.939 1.00 . A A . 18 PHE O 1 1 8 3224 1 1 19 GLY C C 7.015 -0.712 -0.298 1.00 . A A . 19 GLY C 1 1 8 3225 1 1 19 GLY CA C 5.866 -0.642 0.666 1.00 . A A . 19 GLY CA 1 1 8 3226 1 1 19 GLY H H 4.641 1.086 0.767 1.00 . A A . 19 GLY H 1 1 8 3227 1 1 19 GLY HA2 H 6.128 -1.190 1.556 1.00 . A A . 19 GLY HA2 1 1 8 3228 1 1 19 GLY HA3 H 5.014 -1.111 0.194 1.00 . A A . 19 GLY HA3 1 1 8 3229 1 1 19 GLY N N 5.517 0.730 1.016 1.00 . A A . 19 GLY N 1 1 8 3230 1 1 19 GLY O O 8.004 -1.400 -0.052 1.00 . A A . 19 GLY O 1 1 8 3231 1 1 20 LEU C C 9.258 0.546 -1.832 1.00 . A A . 20 LEU C 1 1 8 3232 1 1 20 LEU CA C 7.929 0.048 -2.402 1.00 . A A . 20 LEU CA 1 1 8 3233 1 1 20 LEU CB C 7.529 0.895 -3.585 1.00 . A A . 20 LEU CB 1 1 8 3234 1 1 20 LEU CD1 C 7.071 -0.811 -5.305 1.00 . A A . 20 LEU CD1 1 1 8 3235 1 1 20 LEU CD2 C 7.922 1.441 -5.990 1.00 . A A . 20 LEU CD2 1 1 8 3236 1 1 20 LEU CG C 7.954 0.362 -4.928 1.00 . A A . 20 LEU CG 1 1 8 3237 1 1 20 LEU H H 6.060 0.514 -1.536 1.00 . A A . 20 LEU H 1 1 8 3238 1 1 20 LEU HA H 8.071 -0.970 -2.732 1.00 . A A . 20 LEU HA 1 1 8 3239 1 1 20 LEU HB2 H 6.452 0.979 -3.581 1.00 . A A . 20 LEU HB2 1 1 8 3240 1 1 20 LEU HB3 H 7.951 1.881 -3.459 1.00 . A A . 20 LEU HB3 1 1 8 3241 1 1 20 LEU HD11 H 7.392 -1.239 -6.242 1.00 . A A . 20 LEU HD11 1 1 8 3242 1 1 20 LEU HD12 H 6.057 -0.447 -5.405 1.00 . A A . 20 LEU HD12 1 1 8 3243 1 1 20 LEU HD13 H 7.103 -1.554 -4.522 1.00 . A A . 20 LEU HD13 1 1 8 3244 1 1 20 LEU HD21 H 8.606 2.229 -5.715 1.00 . A A . 20 LEU HD21 1 1 8 3245 1 1 20 LEU HD22 H 6.921 1.835 -6.079 1.00 . A A . 20 LEU HD22 1 1 8 3246 1 1 20 LEU HD23 H 8.230 1.011 -6.931 1.00 . A A . 20 LEU HD23 1 1 8 3247 1 1 20 LEU HG H 8.964 -0.005 -4.830 1.00 . A A . 20 LEU HG 1 1 8 3248 1 1 20 LEU N N 6.900 0.021 -1.385 1.00 . A A . 20 LEU N 1 1 8 3249 1 1 20 LEU O O 10.304 0.146 -2.304 1.00 . A A . 20 LEU O 1 1 8 3250 1 1 21 ALA C C 11.204 0.743 0.451 1.00 . A A . 21 ALA C 1 1 8 3251 1 1 21 ALA CA C 10.425 1.904 -0.151 1.00 . A A . 21 ALA CA 1 1 8 3252 1 1 21 ALA CB C 10.091 2.923 0.925 1.00 . A A . 21 ALA CB 1 1 8 3253 1 1 21 ALA H H 8.358 1.771 -0.477 1.00 . A A . 21 ALA H 1 1 8 3254 1 1 21 ALA HA H 11.046 2.377 -0.897 1.00 . A A . 21 ALA HA 1 1 8 3255 1 1 21 ALA HB1 H 11.000 3.276 1.389 1.00 . A A . 21 ALA HB1 1 1 8 3256 1 1 21 ALA HB2 H 9.466 2.452 1.670 1.00 . A A . 21 ALA HB2 1 1 8 3257 1 1 21 ALA HB3 H 9.561 3.756 0.486 1.00 . A A . 21 ALA HB3 1 1 8 3258 1 1 21 ALA N N 9.214 1.424 -0.808 1.00 . A A . 21 ALA N 1 1 8 3259 1 1 21 ALA O O 12.417 0.761 0.484 1.00 . A A . 21 ALA O 1 1 8 3260 1 1 22 ALA C C 11.832 -2.267 0.363 1.00 . A A . 22 ALA C 1 1 8 3261 1 1 22 ALA CA C 11.134 -1.453 1.442 1.00 . A A . 22 ALA CA 1 1 8 3262 1 1 22 ALA CB C 10.132 -2.306 2.200 1.00 . A A . 22 ALA CB 1 1 8 3263 1 1 22 ALA H H 9.523 -0.266 0.783 1.00 . A A . 22 ALA H 1 1 8 3264 1 1 22 ALA HA H 11.889 -1.112 2.132 1.00 . A A . 22 ALA HA 1 1 8 3265 1 1 22 ALA HB1 H 10.646 -3.139 2.655 1.00 . A A . 22 ALA HB1 1 1 8 3266 1 1 22 ALA HB2 H 9.389 -2.674 1.508 1.00 . A A . 22 ALA HB2 1 1 8 3267 1 1 22 ALA HB3 H 9.656 -1.709 2.965 1.00 . A A . 22 ALA HB3 1 1 8 3268 1 1 22 ALA N N 10.501 -0.283 0.872 1.00 . A A . 22 ALA N 1 1 8 3269 1 1 22 ALA O O 12.824 -2.912 0.616 1.00 . A A . 22 ALA O 1 1 8 3270 1 1 23 TRP C C 12.929 -2.231 -2.664 1.00 . A A . 23 TRP C 1 1 8 3271 1 1 23 TRP CA C 11.878 -3.013 -1.887 1.00 . A A . 23 TRP CA 1 1 8 3272 1 1 23 TRP CB C 10.791 -3.562 -2.798 1.00 . A A . 23 TRP CB 1 1 8 3273 1 1 23 TRP CD1 C 10.964 -5.713 -4.188 1.00 . A A . 23 TRP CD1 1 1 8 3274 1 1 23 TRP CD2 C 11.097 -6.031 -1.977 1.00 . A A . 23 TRP CD2 1 1 8 3275 1 1 23 TRP CE2 C 11.205 -7.277 -2.606 1.00 . A A . 23 TRP CE2 1 1 8 3276 1 1 23 TRP CE3 C 11.159 -5.972 -0.577 1.00 . A A . 23 TRP CE3 1 1 8 3277 1 1 23 TRP CG C 10.927 -5.043 -3.004 1.00 . A A . 23 TRP CG 1 1 8 3278 1 1 23 TRP CH2 C 11.435 -8.367 -0.520 1.00 . A A . 23 TRP CH2 1 1 8 3279 1 1 23 TRP CZ2 C 11.372 -8.460 -1.889 1.00 . A A . 23 TRP CZ2 1 1 8 3280 1 1 23 TRP CZ3 C 11.328 -7.134 0.134 1.00 . A A . 23 TRP CZ3 1 1 8 3281 1 1 23 TRP H H 10.513 -1.687 -0.987 1.00 . A A . 23 TRP H 1 1 8 3282 1 1 23 TRP HA H 12.384 -3.848 -1.427 1.00 . A A . 23 TRP HA 1 1 8 3283 1 1 23 TRP HB2 H 9.821 -3.329 -2.387 1.00 . A A . 23 TRP HB2 1 1 8 3284 1 1 23 TRP HB3 H 10.879 -3.080 -3.758 1.00 . A A . 23 TRP HB3 1 1 8 3285 1 1 23 TRP HD1 H 10.872 -5.243 -5.156 1.00 . A A . 23 TRP HD1 1 1 8 3286 1 1 23 TRP HE1 H 11.160 -7.751 -4.661 1.00 . A A . 23 TRP HE1 1 1 8 3287 1 1 23 TRP HE3 H 11.078 -5.028 -0.059 1.00 . A A . 23 TRP HE3 1 1 8 3288 1 1 23 TRP HH2 H 11.566 -9.256 0.078 1.00 . A A . 23 TRP HH2 1 1 8 3289 1 1 23 TRP HZ2 H 11.456 -9.419 -2.379 1.00 . A A . 23 TRP HZ2 1 1 8 3290 1 1 23 TRP HZ3 H 11.383 -7.080 1.212 1.00 . A A . 23 TRP HZ3 1 1 8 3291 1 1 23 TRP N N 11.302 -2.243 -0.823 1.00 . A A . 23 TRP N 1 1 8 3292 1 1 23 TRP NE1 N 11.114 -7.061 -3.959 1.00 . A A . 23 TRP NE1 1 1 8 3293 1 1 23 TRP O O 13.954 -2.760 -3.016 1.00 . A A . 23 TRP O 1 1 8 3294 1 1 24 ALA C C 14.721 0.341 -2.787 1.00 . A A . 24 ALA C 1 1 8 3295 1 1 24 ALA CA C 13.569 -0.143 -3.675 1.00 . A A . 24 ALA CA 1 1 8 3296 1 1 24 ALA CB C 12.832 1.048 -4.275 1.00 . A A . 24 ALA CB 1 1 8 3297 1 1 24 ALA H H 11.773 -0.623 -2.676 1.00 . A A . 24 ALA H 1 1 8 3298 1 1 24 ALA HA H 13.969 -0.726 -4.492 1.00 . A A . 24 ALA HA 1 1 8 3299 1 1 24 ALA HB1 H 12.020 0.697 -4.895 1.00 . A A . 24 ALA HB1 1 1 8 3300 1 1 24 ALA HB2 H 13.514 1.634 -4.872 1.00 . A A . 24 ALA HB2 1 1 8 3301 1 1 24 ALA HB3 H 12.436 1.657 -3.476 1.00 . A A . 24 ALA HB3 1 1 8 3302 1 1 24 ALA N N 12.644 -0.988 -2.952 1.00 . A A . 24 ALA N 1 1 8 3303 1 1 24 ALA O O 15.882 0.165 -3.099 1.00 . A A . 24 ALA O 1 1 8 3304 1 1 25 LEU C C 16.003 0.657 0.171 1.00 . A A . 25 LEU C 1 1 8 3305 1 1 25 LEU CA C 15.327 1.618 -0.816 1.00 . A A . 25 LEU CA 1 1 8 3306 1 1 25 LEU CB C 14.650 2.763 -0.062 1.00 . A A . 25 LEU CB 1 1 8 3307 1 1 25 LEU CD1 C 13.377 4.912 -0.055 1.00 . A A . 25 LEU CD1 1 1 8 3308 1 1 25 LEU CD2 C 15.211 4.571 -1.713 1.00 . A A . 25 LEU CD2 1 1 8 3309 1 1 25 LEU CG C 14.101 3.902 -0.918 1.00 . A A . 25 LEU CG 1 1 8 3310 1 1 25 LEU H H 13.415 1.030 -1.469 1.00 . A A . 25 LEU H 1 1 8 3311 1 1 25 LEU HA H 16.090 2.053 -1.444 1.00 . A A . 25 LEU HA 1 1 8 3312 1 1 25 LEU HB2 H 13.803 2.348 0.471 1.00 . A A . 25 LEU HB2 1 1 8 3313 1 1 25 LEU HB3 H 15.354 3.169 0.649 1.00 . A A . 25 LEU HB3 1 1 8 3314 1 1 25 LEU HD11 H 13.011 5.710 -0.684 1.00 . A A . 25 LEU HD11 1 1 8 3315 1 1 25 LEU HD12 H 14.050 5.310 0.688 1.00 . A A . 25 LEU HD12 1 1 8 3316 1 1 25 LEU HD13 H 12.541 4.432 0.434 1.00 . A A . 25 LEU HD13 1 1 8 3317 1 1 25 LEU HD21 H 15.988 4.909 -1.045 1.00 . A A . 25 LEU HD21 1 1 8 3318 1 1 25 LEU HD22 H 14.806 5.423 -2.235 1.00 . A A . 25 LEU HD22 1 1 8 3319 1 1 25 LEU HD23 H 15.622 3.874 -2.427 1.00 . A A . 25 LEU HD23 1 1 8 3320 1 1 25 LEU HG H 13.383 3.498 -1.617 1.00 . A A . 25 LEU HG 1 1 8 3321 1 1 25 LEU N N 14.364 0.985 -1.702 1.00 . A A . 25 LEU N 1 1 8 3322 1 1 25 LEU O O 17.179 0.824 0.499 1.00 . A A . 25 LEU O 1 1 8 3323 1 1 26 LEU C C 16.400 -2.467 1.172 1.00 . A A . 26 LEU C 1 1 8 3324 1 1 26 LEU CA C 15.747 -1.191 1.705 1.00 . A A . 26 LEU CA 1 1 8 3325 1 1 26 LEU CB C 14.598 -1.520 2.657 1.00 . A A . 26 LEU CB 1 1 8 3326 1 1 26 LEU CD1 C 15.748 -1.721 4.884 1.00 . A A . 26 LEU CD1 1 1 8 3327 1 1 26 LEU CD2 C 13.639 -3.028 4.412 1.00 . A A . 26 LEU CD2 1 1 8 3328 1 1 26 LEU CG C 14.912 -2.436 3.827 1.00 . A A . 26 LEU CG 1 1 8 3329 1 1 26 LEU H H 14.354 -0.459 0.314 1.00 . A A . 26 LEU H 1 1 8 3330 1 1 26 LEU HA H 16.496 -0.651 2.256 1.00 . A A . 26 LEU HA 1 1 8 3331 1 1 26 LEU HB2 H 14.224 -0.592 3.063 1.00 . A A . 26 LEU HB2 1 1 8 3332 1 1 26 LEU HB3 H 13.812 -1.976 2.073 1.00 . A A . 26 LEU HB3 1 1 8 3333 1 1 26 LEU HD11 H 15.946 -2.392 5.706 1.00 . A A . 26 LEU HD11 1 1 8 3334 1 1 26 LEU HD12 H 15.211 -0.855 5.241 1.00 . A A . 26 LEU HD12 1 1 8 3335 1 1 26 LEU HD13 H 16.684 -1.407 4.446 1.00 . A A . 26 LEU HD13 1 1 8 3336 1 1 26 LEU HD21 H 13.139 -3.625 3.662 1.00 . A A . 26 LEU HD21 1 1 8 3337 1 1 26 LEU HD22 H 12.981 -2.229 4.721 1.00 . A A . 26 LEU HD22 1 1 8 3338 1 1 26 LEU HD23 H 13.884 -3.647 5.262 1.00 . A A . 26 LEU HD23 1 1 8 3339 1 1 26 LEU HG H 15.509 -3.239 3.424 1.00 . A A . 26 LEU HG 1 1 8 3340 1 1 26 LEU N N 15.261 -0.314 0.652 1.00 . A A . 26 LEU N 1 1 8 3341 1 1 26 LEU O O 17.212 -3.095 1.866 1.00 . A A . 26 LEU O 1 1 8 3342 1 1 27 ALA C C 17.596 -3.800 -1.678 1.00 . A A . 27 ALA C 1 1 8 3343 1 1 27 ALA CA C 16.562 -4.064 -0.589 1.00 . A A . 27 ALA CA 1 1 8 3344 1 1 27 ALA CB C 15.403 -4.921 -1.104 1.00 . A A . 27 ALA CB 1 1 8 3345 1 1 27 ALA H H 15.494 -2.219 -0.521 1.00 . A A . 27 ALA H 1 1 8 3346 1 1 27 ALA HA H 17.051 -4.604 0.209 1.00 . A A . 27 ALA HA 1 1 8 3347 1 1 27 ALA HB1 H 14.911 -4.409 -1.918 1.00 . A A . 27 ALA HB1 1 1 8 3348 1 1 27 ALA HB2 H 14.693 -5.087 -0.307 1.00 . A A . 27 ALA HB2 1 1 8 3349 1 1 27 ALA HB3 H 15.767 -5.877 -1.450 1.00 . A A . 27 ALA HB3 1 1 8 3350 1 1 27 ALA N N 16.067 -2.826 -0.013 1.00 . A A . 27 ALA N 1 1 8 3351 1 1 27 ALA O O 17.212 -3.686 -2.848 1.00 . A A . 27 ALA O 1 1 8 3352 1 1 27 ALA OXT O 18.799 -3.718 -1.353 1.00 . A A . 27 ALA OXT 1 1 9 3353 1 1 1 ARG C C -12.791 8.165 -2.823 1.00 . A A . 1 ARG C 1 1 9 3354 1 1 1 ARG CA C -11.735 9.165 -3.218 1.00 . A A . 1 ARG CA 1 1 9 3355 1 1 1 ARG CB C -10.624 9.215 -2.167 1.00 . A A . 1 ARG CB 1 1 9 3356 1 1 1 ARG CD C -8.577 10.377 -1.335 1.00 . A A . 1 ARG CD 1 1 9 3357 1 1 1 ARG CG C -9.552 10.236 -2.476 1.00 . A A . 1 ARG CG 1 1 9 3358 1 1 1 ARG CZ C -6.382 11.500 -0.990 1.00 . A A . 1 ARG CZ 1 1 9 3359 1 1 1 ARG H1 H -13.104 10.402 -4.066 1.00 . A A . 1 ARG H1 1 1 9 3360 1 1 1 ARG H2 H -11.707 11.221 -3.556 1.00 . A A . 1 ARG H2 1 1 9 3361 1 1 1 ARG H3 H -12.863 10.693 -2.434 1.00 . A A . 1 ARG H3 1 1 9 3362 1 1 1 ARG HA H -11.326 8.900 -4.181 1.00 . A A . 1 ARG HA 1 1 9 3363 1 1 1 ARG HB2 H -11.063 9.453 -1.210 1.00 . A A . 1 ARG HB2 1 1 9 3364 1 1 1 ARG HB3 H -10.161 8.242 -2.092 1.00 . A A . 1 ARG HB3 1 1 9 3365 1 1 1 ARG HD2 H -9.127 10.646 -0.446 1.00 . A A . 1 ARG HD2 1 1 9 3366 1 1 1 ARG HD3 H -8.085 9.432 -1.179 1.00 . A A . 1 ARG HD3 1 1 9 3367 1 1 1 ARG HE H -7.808 12.070 -2.290 1.00 . A A . 1 ARG HE 1 1 9 3368 1 1 1 ARG HG2 H -9.012 9.914 -3.354 1.00 . A A . 1 ARG HG2 1 1 9 3369 1 1 1 ARG HG3 H -10.021 11.188 -2.668 1.00 . A A . 1 ARG HG3 1 1 9 3370 1 1 1 ARG HH11 H -6.725 9.961 0.288 1.00 . A A . 1 ARG HH11 1 1 9 3371 1 1 1 ARG HH12 H -5.193 10.681 0.460 1.00 . A A . 1 ARG HH12 1 1 9 3372 1 1 1 ARG HH21 H -5.809 13.117 -2.045 1.00 . A A . 1 ARG HH21 1 1 9 3373 1 1 1 ARG HH22 H -4.631 12.598 -0.926 1.00 . A A . 1 ARG HH22 1 1 9 3374 1 1 1 ARG N N -12.377 10.465 -3.325 1.00 . A A . 1 ARG N 1 1 9 3375 1 1 1 ARG NE N -7.563 11.409 -1.601 1.00 . A A . 1 ARG NE 1 1 9 3376 1 1 1 ARG NH1 N -6.076 10.666 -0.017 1.00 . A A . 1 ARG NH1 1 1 9 3377 1 1 1 ARG NH2 N -5.544 12.461 -1.331 1.00 . A A . 1 ARG NH2 1 1 9 3378 1 1 1 ARG O O -13.931 8.550 -2.569 1.00 . A A . 1 ARG O 1 1 9 3379 1 1 2 ASN C C -12.935 5.259 -1.119 1.00 . A A . 2 ASN C 1 1 9 3380 1 1 2 ASN CA C -13.373 5.873 -2.400 1.00 . A A . 2 ASN CA 1 1 9 3381 1 1 2 ASN CB C -13.495 4.766 -3.462 1.00 . A A . 2 ASN CB 1 1 9 3382 1 1 2 ASN CG C -14.210 5.198 -4.721 1.00 . A A . 2 ASN CG 1 1 9 3383 1 1 2 ASN H H -11.523 6.657 -3.022 1.00 . A A . 2 ASN H 1 1 9 3384 1 1 2 ASN HA H -14.344 6.329 -2.264 1.00 . A A . 2 ASN HA 1 1 9 3385 1 1 2 ASN HB2 H -12.502 4.442 -3.738 1.00 . A A . 2 ASN HB2 1 1 9 3386 1 1 2 ASN HB3 H -14.026 3.932 -3.031 1.00 . A A . 2 ASN HB3 1 1 9 3387 1 1 2 ASN HD21 H -13.175 3.897 -5.768 1.00 . A A . 2 ASN HD21 1 1 9 3388 1 1 2 ASN HD22 H -14.324 4.837 -6.659 1.00 . A A . 2 ASN HD22 1 1 9 3389 1 1 2 ASN N N -12.443 6.908 -2.788 1.00 . A A . 2 ASN N 1 1 9 3390 1 1 2 ASN ND2 N -13.870 4.590 -5.825 1.00 . A A . 2 ASN ND2 1 1 9 3391 1 1 2 ASN O O -11.828 4.704 -1.029 1.00 . A A . 2 ASN O 1 1 9 3392 1 1 2 ASN OD1 O -15.084 6.054 -4.690 1.00 . A A . 2 ASN OD1 1 1 9 3393 1 1 3 LYS C C -13.884 3.274 1.042 1.00 . A A . 3 LYS C 1 1 9 3394 1 1 3 LYS CA C -13.429 4.715 1.110 1.00 . A A . 3 LYS CA 1 1 9 3395 1 1 3 LYS CB C -14.015 5.434 2.328 1.00 . A A . 3 LYS CB 1 1 9 3396 1 1 3 LYS CD C -12.271 4.724 3.949 1.00 . A A . 3 LYS CD 1 1 9 3397 1 1 3 LYS CE C -11.870 3.336 4.330 1.00 . A A . 3 LYS CE 1 1 9 3398 1 1 3 LYS CG C -13.735 4.725 3.617 1.00 . A A . 3 LYS CG 1 1 9 3399 1 1 3 LYS H H -14.604 5.829 -0.209 1.00 . A A . 3 LYS H 1 1 9 3400 1 1 3 LYS HA H -12.351 4.712 1.178 1.00 . A A . 3 LYS HA 1 1 9 3401 1 1 3 LYS HB2 H -13.542 6.401 2.414 1.00 . A A . 3 LYS HB2 1 1 9 3402 1 1 3 LYS HB3 H -15.084 5.525 2.218 1.00 . A A . 3 LYS HB3 1 1 9 3403 1 1 3 LYS HD2 H -11.701 5.050 3.091 1.00 . A A . 3 LYS HD2 1 1 9 3404 1 1 3 LYS HD3 H -12.092 5.384 4.785 1.00 . A A . 3 LYS HD3 1 1 9 3405 1 1 3 LYS HE2 H -12.156 2.737 3.477 1.00 . A A . 3 LYS HE2 1 1 9 3406 1 1 3 LYS HE3 H -10.802 3.311 4.479 1.00 . A A . 3 LYS HE3 1 1 9 3407 1 1 3 LYS HG2 H -14.286 5.163 4.435 1.00 . A A . 3 LYS HG2 1 1 9 3408 1 1 3 LYS HG3 H -14.025 3.695 3.463 1.00 . A A . 3 LYS HG3 1 1 9 3409 1 1 3 LYS HZ1 H -13.613 2.961 5.430 1.00 . A A . 3 LYS HZ1 1 1 9 3410 1 1 3 LYS HZ2 H -12.263 3.341 6.394 1.00 . A A . 3 LYS HZ2 1 1 9 3411 1 1 3 LYS HZ3 H -12.403 1.843 5.671 1.00 . A A . 3 LYS HZ3 1 1 9 3412 1 1 3 LYS N N -13.749 5.352 -0.117 1.00 . A A . 3 LYS N 1 1 9 3413 1 1 3 LYS NZ N -12.583 2.859 5.531 1.00 . A A . 3 LYS NZ 1 1 9 3414 1 1 3 LYS O O -15.066 2.963 1.153 1.00 . A A . 3 LYS O 1 1 9 3415 1 1 4 LEU C C -12.087 0.314 1.372 1.00 . A A . 4 LEU C 1 1 9 3416 1 1 4 LEU CA C -13.199 1.031 0.658 1.00 . A A . 4 LEU CA 1 1 9 3417 1 1 4 LEU CB C -13.186 0.684 -0.832 1.00 . A A . 4 LEU CB 1 1 9 3418 1 1 4 LEU CD1 C -15.206 -0.794 -0.979 1.00 . A A . 4 LEU CD1 1 1 9 3419 1 1 4 LEU CD2 C -13.400 -0.975 -2.683 1.00 . A A . 4 LEU CD2 1 1 9 3420 1 1 4 LEU CG C -13.713 -0.695 -1.231 1.00 . A A . 4 LEU CG 1 1 9 3421 1 1 4 LEU H H -12.028 2.742 0.710 1.00 . A A . 4 LEU H 1 1 9 3422 1 1 4 LEU HA H -14.155 0.769 1.086 1.00 . A A . 4 LEU HA 1 1 9 3423 1 1 4 LEU HB2 H -13.781 1.439 -1.324 1.00 . A A . 4 LEU HB2 1 1 9 3424 1 1 4 LEU HB3 H -12.170 0.777 -1.188 1.00 . A A . 4 LEU HB3 1 1 9 3425 1 1 4 LEU HD11 H -15.411 -0.632 0.070 1.00 . A A . 4 LEU HD11 1 1 9 3426 1 1 4 LEU HD12 H -15.551 -1.777 -1.265 1.00 . A A . 4 LEU HD12 1 1 9 3427 1 1 4 LEU HD13 H -15.723 -0.050 -1.567 1.00 . A A . 4 LEU HD13 1 1 9 3428 1 1 4 LEU HD21 H -13.770 -1.952 -2.957 1.00 . A A . 4 LEU HD21 1 1 9 3429 1 1 4 LEU HD22 H -12.331 -0.938 -2.834 1.00 . A A . 4 LEU HD22 1 1 9 3430 1 1 4 LEU HD23 H -13.876 -0.226 -3.297 1.00 . A A . 4 LEU HD23 1 1 9 3431 1 1 4 LEU HG H -13.230 -1.449 -0.627 1.00 . A A . 4 LEU HG 1 1 9 3432 1 1 4 LEU N N -12.949 2.423 0.798 1.00 . A A . 4 LEU N 1 1 9 3433 1 1 4 LEU O O -10.970 0.857 1.448 1.00 . A A . 4 LEU O 1 1 9 3434 1 1 5 ALA C C -10.225 -2.062 1.738 1.00 . A A . 5 ALA C 1 1 9 3435 1 1 5 ALA CA C -11.397 -1.675 2.610 1.00 . A A . 5 ALA CA 1 1 9 3436 1 1 5 ALA CB C -12.055 -2.915 3.188 1.00 . A A . 5 ALA CB 1 1 9 3437 1 1 5 ALA H H -13.270 -1.246 1.752 1.00 . A A . 5 ALA H 1 1 9 3438 1 1 5 ALA HA H -11.041 -1.070 3.427 1.00 . A A . 5 ALA HA 1 1 9 3439 1 1 5 ALA HB1 H -12.888 -2.621 3.811 1.00 . A A . 5 ALA HB1 1 1 9 3440 1 1 5 ALA HB2 H -11.334 -3.460 3.779 1.00 . A A . 5 ALA HB2 1 1 9 3441 1 1 5 ALA HB3 H -12.410 -3.537 2.379 1.00 . A A . 5 ALA HB3 1 1 9 3442 1 1 5 ALA N N -12.366 -0.880 1.867 1.00 . A A . 5 ALA N 1 1 9 3443 1 1 5 ALA O O -9.115 -2.231 2.205 1.00 . A A . 5 ALA O 1 1 9 3444 1 1 6 TYR C C -8.591 -1.310 -0.804 1.00 . A A . 6 TYR C 1 1 9 3445 1 1 6 TYR CA C -9.446 -2.515 -0.478 1.00 . A A . 6 TYR CA 1 1 9 3446 1 1 6 TYR CB C -10.033 -3.124 -1.741 1.00 . A A . 6 TYR CB 1 1 9 3447 1 1 6 TYR CD1 C -9.998 -5.611 -1.443 1.00 . A A . 6 TYR CD1 1 1 9 3448 1 1 6 TYR CD2 C -12.095 -4.493 -1.285 1.00 . A A . 6 TYR CD2 1 1 9 3449 1 1 6 TYR CE1 C -10.614 -6.810 -1.196 1.00 . A A . 6 TYR CE1 1 1 9 3450 1 1 6 TYR CE2 C -12.719 -5.688 -1.039 1.00 . A A . 6 TYR CE2 1 1 9 3451 1 1 6 TYR CG C -10.724 -4.434 -1.491 1.00 . A A . 6 TYR CG 1 1 9 3452 1 1 6 TYR CZ C -11.978 -6.843 -0.992 1.00 . A A . 6 TYR CZ 1 1 9 3453 1 1 6 TYR H H -11.403 -2.030 0.176 1.00 . A A . 6 TYR H 1 1 9 3454 1 1 6 TYR HA H -8.819 -3.253 0.001 1.00 . A A . 6 TYR HA 1 1 9 3455 1 1 6 TYR HB2 H -10.747 -2.434 -2.163 1.00 . A A . 6 TYR HB2 1 1 9 3456 1 1 6 TYR HB3 H -9.237 -3.289 -2.451 1.00 . A A . 6 TYR HB3 1 1 9 3457 1 1 6 TYR HD1 H -8.931 -5.574 -1.601 1.00 . A A . 6 TYR HD1 1 1 9 3458 1 1 6 TYR HD2 H -12.676 -3.584 -1.323 1.00 . A A . 6 TYR HD2 1 1 9 3459 1 1 6 TYR HE1 H -10.019 -7.710 -1.167 1.00 . A A . 6 TYR HE1 1 1 9 3460 1 1 6 TYR HE2 H -13.787 -5.715 -0.880 1.00 . A A . 6 TYR HE2 1 1 9 3461 1 1 6 TYR HH H -12.120 -8.442 -0.010 1.00 . A A . 6 TYR HH 1 1 9 3462 1 1 6 TYR N N -10.481 -2.175 0.469 1.00 . A A . 6 TYR N 1 1 9 3463 1 1 6 TYR O O -7.426 -1.440 -1.103 1.00 . A A . 6 TYR O 1 1 9 3464 1 1 6 TYR OH O -12.601 -8.034 -0.741 1.00 . A A . 6 TYR OH 1 1 9 3465 1 1 7 ASN C C -7.550 1.414 0.179 1.00 . A A . 7 ASN C 1 1 9 3466 1 1 7 ASN CA C -8.437 1.071 -0.999 1.00 . A A . 7 ASN CA 1 1 9 3467 1 1 7 ASN CB C -9.348 2.259 -1.373 1.00 . A A . 7 ASN CB 1 1 9 3468 1 1 7 ASN CG C -8.544 3.509 -1.775 1.00 . A A . 7 ASN CG 1 1 9 3469 1 1 7 ASN H H -10.102 -0.123 -0.421 1.00 . A A . 7 ASN H 1 1 9 3470 1 1 7 ASN HA H -7.776 0.860 -1.823 1.00 . A A . 7 ASN HA 1 1 9 3471 1 1 7 ASN HB2 H -9.995 1.986 -2.194 1.00 . A A . 7 ASN HB2 1 1 9 3472 1 1 7 ASN HB3 H -9.956 2.505 -0.516 1.00 . A A . 7 ASN HB3 1 1 9 3473 1 1 7 ASN HD21 H -10.019 4.709 -1.204 1.00 . A A . 7 ASN HD21 1 1 9 3474 1 1 7 ASN HD22 H -8.597 5.479 -1.814 1.00 . A A . 7 ASN HD22 1 1 9 3475 1 1 7 ASN N N -9.175 -0.144 -0.726 1.00 . A A . 7 ASN N 1 1 9 3476 1 1 7 ASN ND2 N -9.110 4.671 -1.581 1.00 . A A . 7 ASN ND2 1 1 9 3477 1 1 7 ASN O O -6.346 1.483 0.056 1.00 . A A . 7 ASN O 1 1 9 3478 1 1 7 ASN OD1 O -7.440 3.412 -2.295 1.00 . A A . 7 ASN OD1 1 1 9 3479 1 1 8 MET C C -6.645 0.778 3.151 1.00 . A A . 8 MET C 1 1 9 3480 1 1 8 MET CA C -7.359 1.965 2.499 1.00 . A A . 8 MET CA 1 1 9 3481 1 1 8 MET CB C -8.126 2.816 3.509 1.00 . A A . 8 MET CB 1 1 9 3482 1 1 8 MET CE C -5.887 4.838 1.811 1.00 . A A . 8 MET CE 1 1 9 3483 1 1 8 MET CG C -8.392 4.263 3.082 1.00 . A A . 8 MET CG 1 1 9 3484 1 1 8 MET H H -9.131 1.551 1.397 1.00 . A A . 8 MET H 1 1 9 3485 1 1 8 MET HA H -6.570 2.576 2.094 1.00 . A A . 8 MET HA 1 1 9 3486 1 1 8 MET HB2 H -9.086 2.356 3.687 1.00 . A A . 8 MET HB2 1 1 9 3487 1 1 8 MET HB3 H -7.574 2.834 4.438 1.00 . A A . 8 MET HB3 1 1 9 3488 1 1 8 MET HE1 H -6.476 4.690 0.918 1.00 . A A . 8 MET HE1 1 1 9 3489 1 1 8 MET HE2 H -5.324 3.954 2.073 1.00 . A A . 8 MET HE2 1 1 9 3490 1 1 8 MET HE3 H -5.179 5.632 1.618 1.00 . A A . 8 MET HE3 1 1 9 3491 1 1 8 MET HG2 H -8.746 4.250 2.063 1.00 . A A . 8 MET HG2 1 1 9 3492 1 1 8 MET HG3 H -9.174 4.669 3.707 1.00 . A A . 8 MET HG3 1 1 9 3493 1 1 8 MET N N -8.151 1.630 1.329 1.00 . A A . 8 MET N 1 1 9 3494 1 1 8 MET O O -5.422 0.746 3.200 1.00 . A A . 8 MET O 1 1 9 3495 1 1 8 MET SD S -6.944 5.375 3.164 1.00 . A A . 8 MET SD 1 1 9 3496 1 1 9 GLY C C -5.908 -2.193 3.567 1.00 . A A . 9 GLY C 1 1 9 3497 1 1 9 GLY CA C -6.855 -1.327 4.354 1.00 . A A . 9 GLY CA 1 1 9 3498 1 1 9 GLY H H -8.379 -0.146 3.475 1.00 . A A . 9 GLY H 1 1 9 3499 1 1 9 GLY HA2 H -6.327 -0.953 5.218 1.00 . A A . 9 GLY HA2 1 1 9 3500 1 1 9 GLY HA3 H -7.673 -1.942 4.704 1.00 . A A . 9 GLY HA3 1 1 9 3501 1 1 9 GLY N N -7.407 -0.193 3.613 1.00 . A A . 9 GLY N 1 1 9 3502 1 1 9 GLY O O -4.823 -2.542 4.054 1.00 . A A . 9 GLY O 1 1 9 3503 1 1 10 HIS C C -4.166 -2.709 1.141 1.00 . A A . 10 HIS C 1 1 9 3504 1 1 10 HIS CA C -5.480 -3.412 1.534 1.00 . A A . 10 HIS CA 1 1 9 3505 1 1 10 HIS CB C -6.297 -3.866 0.324 1.00 . A A . 10 HIS CB 1 1 9 3506 1 1 10 HIS CD2 C -5.474 -5.022 -1.808 1.00 . A A . 10 HIS CD2 1 1 9 3507 1 1 10 HIS CE1 C -4.687 -6.814 -0.927 1.00 . A A . 10 HIS CE1 1 1 9 3508 1 1 10 HIS CG C -5.670 -4.934 -0.483 1.00 . A A . 10 HIS CG 1 1 9 3509 1 1 10 HIS H H -7.158 -2.202 2.028 1.00 . A A . 10 HIS H 1 1 9 3510 1 1 10 HIS HA H -5.201 -4.289 2.107 1.00 . A A . 10 HIS HA 1 1 9 3511 1 1 10 HIS HB2 H -7.234 -4.266 0.682 1.00 . A A . 10 HIS HB2 1 1 9 3512 1 1 10 HIS HB3 H -6.485 -3.016 -0.316 1.00 . A A . 10 HIS HB3 1 1 9 3513 1 1 10 HIS HD1 H -5.140 -6.344 0.999 1.00 . A A . 10 HIS HD1 1 1 9 3514 1 1 10 HIS HD2 H -5.779 -4.292 -2.542 1.00 . A A . 10 HIS HD2 1 1 9 3515 1 1 10 HIS HE1 H -4.211 -7.764 -0.753 1.00 . A A . 10 HIS HE1 1 1 9 3516 1 1 10 HIS N N -6.293 -2.541 2.362 1.00 . A A . 10 HIS N 1 1 9 3517 1 1 10 HIS ND1 N -5.164 -6.083 0.052 1.00 . A A . 10 HIS ND1 1 1 9 3518 1 1 10 HIS NE2 N -4.844 -6.224 -2.090 1.00 . A A . 10 HIS NE2 1 1 9 3519 1 1 10 HIS O O -3.088 -3.312 1.188 1.00 . A A . 10 HIS O 1 1 9 3520 1 1 11 TYR C C -2.206 -0.311 1.671 1.00 . A A . 11 TYR C 1 1 9 3521 1 1 11 TYR CA C -3.069 -0.640 0.482 1.00 . A A . 11 TYR CA 1 1 9 3522 1 1 11 TYR CB C -3.394 0.602 -0.324 1.00 . A A . 11 TYR CB 1 1 9 3523 1 1 11 TYR CD1 C -2.616 0.422 -2.683 1.00 . A A . 11 TYR CD1 1 1 9 3524 1 1 11 TYR CD2 C -4.873 -0.126 -2.217 1.00 . A A . 11 TYR CD2 1 1 9 3525 1 1 11 TYR CE1 C -2.813 0.125 -4.003 1.00 . A A . 11 TYR CE1 1 1 9 3526 1 1 11 TYR CE2 C -5.086 -0.424 -3.537 1.00 . A A . 11 TYR CE2 1 1 9 3527 1 1 11 TYR CG C -3.638 0.300 -1.770 1.00 . A A . 11 TYR CG 1 1 9 3528 1 1 11 TYR CZ C -4.050 -0.298 -4.431 1.00 . A A . 11 TYR CZ 1 1 9 3529 1 1 11 TYR H H -5.129 -0.992 0.796 1.00 . A A . 11 TYR H 1 1 9 3530 1 1 11 TYR HA H -2.470 -1.287 -0.140 1.00 . A A . 11 TYR HA 1 1 9 3531 1 1 11 TYR HB2 H -4.290 1.052 0.074 1.00 . A A . 11 TYR HB2 1 1 9 3532 1 1 11 TYR HB3 H -2.575 1.301 -0.257 1.00 . A A . 11 TYR HB3 1 1 9 3533 1 1 11 TYR HD1 H -1.643 0.749 -2.348 1.00 . A A . 11 TYR HD1 1 1 9 3534 1 1 11 TYR HD2 H -5.678 -0.215 -1.501 1.00 . A A . 11 TYR HD2 1 1 9 3535 1 1 11 TYR HE1 H -1.985 0.237 -4.684 1.00 . A A . 11 TYR HE1 1 1 9 3536 1 1 11 TYR HE2 H -6.062 -0.755 -3.863 1.00 . A A . 11 TYR HE2 1 1 9 3537 1 1 11 TYR HH H -3.494 -1.136 -6.052 1.00 . A A . 11 TYR HH 1 1 9 3538 1 1 11 TYR N N -4.251 -1.427 0.821 1.00 . A A . 11 TYR N 1 1 9 3539 1 1 11 TYR O O -1.007 -0.146 1.517 1.00 . A A . 11 TYR O 1 1 9 3540 1 1 11 TYR OH O -4.243 -0.604 -5.754 1.00 . A A . 11 TYR OH 1 1 9 3541 1 1 12 ALA C C -0.957 -0.986 4.271 1.00 . A A . 12 ALA C 1 1 9 3542 1 1 12 ALA CA C -2.051 0.056 4.075 1.00 . A A . 12 ALA CA 1 1 9 3543 1 1 12 ALA CB C -2.978 0.076 5.283 1.00 . A A . 12 ALA CB 1 1 9 3544 1 1 12 ALA H H -3.781 -0.285 2.903 1.00 . A A . 12 ALA H 1 1 9 3545 1 1 12 ALA HA H -1.589 1.026 3.974 1.00 . A A . 12 ALA HA 1 1 9 3546 1 1 12 ALA HB1 H -2.414 0.308 6.175 1.00 . A A . 12 ALA HB1 1 1 9 3547 1 1 12 ALA HB2 H -3.434 -0.897 5.395 1.00 . A A . 12 ALA HB2 1 1 9 3548 1 1 12 ALA HB3 H -3.752 0.815 5.140 1.00 . A A . 12 ALA HB3 1 1 9 3549 1 1 12 ALA N N -2.802 -0.212 2.851 1.00 . A A . 12 ALA N 1 1 9 3550 1 1 12 ALA O O 0.190 -0.653 4.593 1.00 . A A . 12 ALA O 1 1 9 3551 1 1 13 GLY C C 0.633 -3.297 2.978 1.00 . A A . 13 GLY C 1 1 9 3552 1 1 13 GLY CA C -0.331 -3.294 4.150 1.00 . A A . 13 GLY CA 1 1 9 3553 1 1 13 GLY H H -2.231 -2.418 3.784 1.00 . A A . 13 GLY H 1 1 9 3554 1 1 13 GLY HA2 H 0.226 -3.151 5.065 1.00 . A A . 13 GLY HA2 1 1 9 3555 1 1 13 GLY HA3 H -0.841 -4.246 4.195 1.00 . A A . 13 GLY HA3 1 1 9 3556 1 1 13 GLY N N -1.301 -2.235 4.032 1.00 . A A . 13 GLY N 1 1 9 3557 1 1 13 GLY O O 1.846 -3.422 3.152 1.00 . A A . 13 GLY O 1 1 9 3558 1 1 14 LYS C C 1.893 -2.006 0.459 1.00 . A A . 14 LYS C 1 1 9 3559 1 1 14 LYS CA C 0.886 -3.125 0.561 1.00 . A A . 14 LYS CA 1 1 9 3560 1 1 14 LYS CB C 0.004 -3.219 -0.685 1.00 . A A . 14 LYS CB 1 1 9 3561 1 1 14 LYS CD C -0.987 -5.420 0.069 1.00 . A A . 14 LYS CD 1 1 9 3562 1 1 14 LYS CE C -1.193 -6.862 -0.283 1.00 . A A . 14 LYS CE 1 1 9 3563 1 1 14 LYS CG C -0.351 -4.653 -1.069 1.00 . A A . 14 LYS CG 1 1 9 3564 1 1 14 LYS H H -0.865 -2.907 1.735 1.00 . A A . 14 LYS H 1 1 9 3565 1 1 14 LYS HA H 1.465 -4.034 0.620 1.00 . A A . 14 LYS HA 1 1 9 3566 1 1 14 LYS HB2 H -0.914 -2.683 -0.497 1.00 . A A . 14 LYS HB2 1 1 9 3567 1 1 14 LYS HB3 H 0.515 -2.760 -1.518 1.00 . A A . 14 LYS HB3 1 1 9 3568 1 1 14 LYS HD2 H -0.347 -5.355 0.937 1.00 . A A . 14 LYS HD2 1 1 9 3569 1 1 14 LYS HD3 H -1.943 -4.973 0.302 1.00 . A A . 14 LYS HD3 1 1 9 3570 1 1 14 LYS HE2 H -1.915 -6.932 -1.083 1.00 . A A . 14 LYS HE2 1 1 9 3571 1 1 14 LYS HE3 H -0.250 -7.282 -0.605 1.00 . A A . 14 LYS HE3 1 1 9 3572 1 1 14 LYS HG2 H -1.050 -4.622 -1.887 1.00 . A A . 14 LYS HG2 1 1 9 3573 1 1 14 LYS HG3 H 0.548 -5.161 -1.384 1.00 . A A . 14 LYS HG3 1 1 9 3574 1 1 14 LYS HZ1 H -1.834 -8.616 0.593 1.00 . A A . 14 LYS HZ1 1 1 9 3575 1 1 14 LYS HZ2 H -2.587 -7.241 1.229 1.00 . A A . 14 LYS HZ2 1 1 9 3576 1 1 14 LYS HZ3 H -0.994 -7.607 1.643 1.00 . A A . 14 LYS HZ3 1 1 9 3577 1 1 14 LYS N N 0.097 -3.091 1.791 1.00 . A A . 14 LYS N 1 1 9 3578 1 1 14 LYS NZ N -1.691 -7.626 0.873 1.00 . A A . 14 LYS NZ 1 1 9 3579 1 1 14 LYS O O 3.003 -2.215 -0.022 1.00 . A A . 14 LYS O 1 1 9 3580 1 1 15 ALA C C 3.550 0.041 1.949 1.00 . A A . 15 ALA C 1 1 9 3581 1 1 15 ALA CA C 2.456 0.261 0.925 1.00 . A A . 15 ALA CA 1 1 9 3582 1 1 15 ALA CB C 1.750 1.578 1.155 1.00 . A A . 15 ALA CB 1 1 9 3583 1 1 15 ALA H H 0.629 -0.712 1.289 1.00 . A A . 15 ALA H 1 1 9 3584 1 1 15 ALA HA H 2.912 0.278 -0.054 1.00 . A A . 15 ALA HA 1 1 9 3585 1 1 15 ALA HB1 H 1.301 1.580 2.136 1.00 . A A . 15 ALA HB1 1 1 9 3586 1 1 15 ALA HB2 H 0.994 1.716 0.395 1.00 . A A . 15 ALA HB2 1 1 9 3587 1 1 15 ALA HB3 H 2.487 2.364 1.090 1.00 . A A . 15 ALA HB3 1 1 9 3588 1 1 15 ALA N N 1.539 -0.844 0.937 1.00 . A A . 15 ALA N 1 1 9 3589 1 1 15 ALA O O 4.641 0.512 1.789 1.00 . A A . 15 ALA O 1 1 9 3590 1 1 16 THR C C 5.239 -2.056 3.463 1.00 . A A . 16 THR C 1 1 9 3591 1 1 16 THR CA C 4.263 -0.978 3.969 1.00 . A A . 16 THR CA 1 1 9 3592 1 1 16 THR CB C 3.673 -1.369 5.327 1.00 . A A . 16 THR CB 1 1 9 3593 1 1 16 THR CG2 C 4.785 -1.346 6.364 1.00 . A A . 16 THR CG2 1 1 9 3594 1 1 16 THR H H 2.346 -1.026 3.113 1.00 . A A . 16 THR H 1 1 9 3595 1 1 16 THR HA H 4.834 -0.070 4.091 1.00 . A A . 16 THR HA 1 1 9 3596 1 1 16 THR HB H 3.248 -2.362 5.278 1.00 . A A . 16 THR HB 1 1 9 3597 1 1 16 THR HG1 H 1.822 -0.631 5.320 1.00 . A A . 16 THR HG1 1 1 9 3598 1 1 16 THR HG21 H 4.407 -1.600 7.342 1.00 . A A . 16 THR HG21 1 1 9 3599 1 1 16 THR HG22 H 5.219 -0.355 6.376 1.00 . A A . 16 THR HG22 1 1 9 3600 1 1 16 THR HG23 H 5.550 -2.048 6.065 1.00 . A A . 16 THR HG23 1 1 9 3601 1 1 16 THR N N 3.255 -0.684 2.993 1.00 . A A . 16 THR N 1 1 9 3602 1 1 16 THR O O 6.428 -1.965 3.685 1.00 . A A . 16 THR O 1 1 9 3603 1 1 16 THR OG1 O 2.679 -0.392 5.701 1.00 . A A . 16 THR OG1 1 1 9 3604 1 1 17 ILE C C 6.358 -3.589 0.984 1.00 . A A . 17 ILE C 1 1 9 3605 1 1 17 ILE CA C 5.653 -4.074 2.273 1.00 . A A . 17 ILE CA 1 1 9 3606 1 1 17 ILE CB C 4.996 -5.495 2.092 1.00 . A A . 17 ILE CB 1 1 9 3607 1 1 17 ILE CD1 C 5.502 -7.922 1.369 1.00 . A A . 17 ILE CD1 1 1 9 3608 1 1 17 ILE CG1 C 6.018 -6.500 1.514 1.00 . A A . 17 ILE CG1 1 1 9 3609 1 1 17 ILE CG2 C 3.723 -5.441 1.247 1.00 . A A . 17 ILE CG2 1 1 9 3610 1 1 17 ILE H H 3.769 -3.164 2.687 1.00 . A A . 17 ILE H 1 1 9 3611 1 1 17 ILE HA H 6.436 -4.159 3.015 1.00 . A A . 17 ILE HA 1 1 9 3612 1 1 17 ILE HB H 4.701 -5.838 3.072 1.00 . A A . 17 ILE HB 1 1 9 3613 1 1 17 ILE HD11 H 4.635 -7.931 0.723 1.00 . A A . 17 ILE HD11 1 1 9 3614 1 1 17 ILE HD12 H 5.239 -8.318 2.339 1.00 . A A . 17 ILE HD12 1 1 9 3615 1 1 17 ILE HD13 H 6.278 -8.535 0.934 1.00 . A A . 17 ILE HD13 1 1 9 3616 1 1 17 ILE HG12 H 6.305 -6.166 0.528 1.00 . A A . 17 ILE HG12 1 1 9 3617 1 1 17 ILE HG13 H 6.891 -6.523 2.153 1.00 . A A . 17 ILE HG13 1 1 9 3618 1 1 17 ILE HG21 H 2.994 -4.820 1.746 1.00 . A A . 17 ILE HG21 1 1 9 3619 1 1 17 ILE HG22 H 3.325 -6.438 1.120 1.00 . A A . 17 ILE HG22 1 1 9 3620 1 1 17 ILE HG23 H 3.957 -5.019 0.281 1.00 . A A . 17 ILE HG23 1 1 9 3621 1 1 17 ILE N N 4.742 -3.077 2.801 1.00 . A A . 17 ILE N 1 1 9 3622 1 1 17 ILE O O 7.575 -3.548 0.926 1.00 . A A . 17 ILE O 1 1 9 3623 1 1 18 PHE C C 6.671 -1.365 -1.274 1.00 . A A . 18 PHE C 1 1 9 3624 1 1 18 PHE CA C 6.125 -2.781 -1.301 1.00 . A A . 18 PHE CA 1 1 9 3625 1 1 18 PHE CB C 5.090 -2.932 -2.418 1.00 . A A . 18 PHE CB 1 1 9 3626 1 1 18 PHE CD1 C 5.366 -5.423 -2.523 1.00 . A A . 18 PHE CD1 1 1 9 3627 1 1 18 PHE CD2 C 3.171 -4.515 -2.696 1.00 . A A . 18 PHE CD2 1 1 9 3628 1 1 18 PHE CE1 C 4.849 -6.698 -2.643 1.00 . A A . 18 PHE CE1 1 1 9 3629 1 1 18 PHE CE2 C 2.651 -5.787 -2.820 1.00 . A A . 18 PHE CE2 1 1 9 3630 1 1 18 PHE CG C 4.531 -4.318 -2.543 1.00 . A A . 18 PHE CG 1 1 9 3631 1 1 18 PHE CZ C 3.492 -6.880 -2.794 1.00 . A A . 18 PHE CZ 1 1 9 3632 1 1 18 PHE H H 4.612 -3.142 0.125 1.00 . A A . 18 PHE H 1 1 9 3633 1 1 18 PHE HA H 6.949 -3.447 -1.513 1.00 . A A . 18 PHE HA 1 1 9 3634 1 1 18 PHE HB2 H 4.267 -2.259 -2.230 1.00 . A A . 18 PHE HB2 1 1 9 3635 1 1 18 PHE HB3 H 5.548 -2.667 -3.358 1.00 . A A . 18 PHE HB3 1 1 9 3636 1 1 18 PHE HD1 H 6.429 -5.272 -2.402 1.00 . A A . 18 PHE HD1 1 1 9 3637 1 1 18 PHE HD2 H 2.515 -3.657 -2.715 1.00 . A A . 18 PHE HD2 1 1 9 3638 1 1 18 PHE HE1 H 5.502 -7.556 -2.624 1.00 . A A . 18 PHE HE1 1 1 9 3639 1 1 18 PHE HE2 H 1.588 -5.931 -2.942 1.00 . A A . 18 PHE HE2 1 1 9 3640 1 1 18 PHE HZ H 3.085 -7.874 -2.887 1.00 . A A . 18 PHE HZ 1 1 9 3641 1 1 18 PHE N N 5.584 -3.194 -0.012 1.00 . A A . 18 PHE N 1 1 9 3642 1 1 18 PHE O O 7.830 -1.119 -1.610 1.00 . A A . 18 PHE O 1 1 9 3643 1 1 19 GLY C C 7.299 1.312 0.006 1.00 . A A . 19 GLY C 1 1 9 3644 1 1 19 GLY CA C 6.132 0.977 -0.876 1.00 . A A . 19 GLY CA 1 1 9 3645 1 1 19 GLY H H 4.925 -0.736 -0.586 1.00 . A A . 19 GLY H 1 1 9 3646 1 1 19 GLY HA2 H 6.332 1.325 -1.878 1.00 . A A . 19 GLY HA2 1 1 9 3647 1 1 19 GLY HA3 H 5.267 1.491 -0.485 1.00 . A A . 19 GLY HA3 1 1 9 3648 1 1 19 GLY N N 5.811 -0.442 -0.884 1.00 . A A . 19 GLY N 1 1 9 3649 1 1 19 GLY O O 8.236 1.985 -0.410 1.00 . A A . 19 GLY O 1 1 9 3650 1 1 20 LEU C C 9.605 0.431 1.708 1.00 . A A . 20 LEU C 1 1 9 3651 1 1 20 LEU CA C 8.296 1.073 2.171 1.00 . A A . 20 LEU CA 1 1 9 3652 1 1 20 LEU CB C 7.930 0.550 3.536 1.00 . A A . 20 LEU CB 1 1 9 3653 1 1 20 LEU CD1 C 7.558 2.632 4.814 1.00 . A A . 20 LEU CD1 1 1 9 3654 1 1 20 LEU CD2 C 8.416 0.590 5.978 1.00 . A A . 20 LEU CD2 1 1 9 3655 1 1 20 LEU CG C 8.416 1.386 4.694 1.00 . A A . 20 LEU CG 1 1 9 3656 1 1 20 LEU H H 6.418 0.383 1.505 1.00 . A A . 20 LEU H 1 1 9 3657 1 1 20 LEU HA H 8.442 2.140 2.237 1.00 . A A . 20 LEU HA 1 1 9 3658 1 1 20 LEU HB2 H 6.853 0.476 3.583 1.00 . A A . 20 LEU HB2 1 1 9 3659 1 1 20 LEU HB3 H 8.346 -0.442 3.634 1.00 . A A . 20 LEU HB3 1 1 9 3660 1 1 20 LEU HD11 H 7.562 3.162 3.872 1.00 . A A . 20 LEU HD11 1 1 9 3661 1 1 20 LEU HD12 H 7.935 3.270 5.600 1.00 . A A . 20 LEU HD12 1 1 9 3662 1 1 20 LEU HD13 H 6.549 2.320 5.046 1.00 . A A . 20 LEU HD13 1 1 9 3663 1 1 20 LEU HD21 H 9.061 -0.268 5.866 1.00 . A A . 20 LEU HD21 1 1 9 3664 1 1 20 LEU HD22 H 7.412 0.264 6.201 1.00 . A A . 20 LEU HD22 1 1 9 3665 1 1 20 LEU HD23 H 8.787 1.215 6.776 1.00 . A A . 20 LEU HD23 1 1 9 3666 1 1 20 LEU HG H 9.426 1.695 4.473 1.00 . A A . 20 LEU HG 1 1 9 3667 1 1 20 LEU N N 7.244 0.841 1.225 1.00 . A A . 20 LEU N 1 1 9 3668 1 1 20 LEU O O 10.666 0.936 2.003 1.00 . A A . 20 LEU O 1 1 9 3669 1 1 21 ALA C C 11.345 -0.401 -0.612 1.00 . A A . 21 ALA C 1 1 9 3670 1 1 21 ALA CA C 10.710 -1.318 0.414 1.00 . A A . 21 ALA CA 1 1 9 3671 1 1 21 ALA CB C 10.383 -2.651 -0.215 1.00 . A A . 21 ALA CB 1 1 9 3672 1 1 21 ALA H H 8.661 -1.126 0.797 1.00 . A A . 21 ALA H 1 1 9 3673 1 1 21 ALA HA H 11.412 -1.470 1.221 1.00 . A A . 21 ALA HA 1 1 9 3674 1 1 21 ALA HB1 H 11.287 -3.110 -0.581 1.00 . A A . 21 ALA HB1 1 1 9 3675 1 1 21 ALA HB2 H 9.699 -2.489 -1.035 1.00 . A A . 21 ALA HB2 1 1 9 3676 1 1 21 ALA HB3 H 9.921 -3.291 0.522 1.00 . A A . 21 ALA HB3 1 1 9 3677 1 1 21 ALA N N 9.523 -0.690 0.969 1.00 . A A . 21 ALA N 1 1 9 3678 1 1 21 ALA O O 12.536 -0.374 -0.758 1.00 . A A . 21 ALA O 1 1 9 3679 1 1 22 ALA C C 11.782 2.441 -1.539 1.00 . A A . 22 ALA C 1 1 9 3680 1 1 22 ALA CA C 11.032 1.337 -2.254 1.00 . A A . 22 ALA CA 1 1 9 3681 1 1 22 ALA CB C 9.907 1.907 -3.100 1.00 . A A . 22 ALA CB 1 1 9 3682 1 1 22 ALA H H 9.566 0.299 -1.147 1.00 . A A . 22 ALA H 1 1 9 3683 1 1 22 ALA HA H 11.736 0.830 -2.898 1.00 . A A . 22 ALA HA 1 1 9 3684 1 1 22 ALA HB1 H 9.227 2.445 -2.455 1.00 . A A . 22 ALA HB1 1 1 9 3685 1 1 22 ALA HB2 H 9.380 1.100 -3.584 1.00 . A A . 22 ALA HB2 1 1 9 3686 1 1 22 ALA HB3 H 10.309 2.581 -3.843 1.00 . A A . 22 ALA HB3 1 1 9 3687 1 1 22 ALA N N 10.535 0.370 -1.293 1.00 . A A . 22 ALA N 1 1 9 3688 1 1 22 ALA O O 12.710 3.009 -2.061 1.00 . A A . 22 ALA O 1 1 9 3689 1 1 23 TRP C C 13.223 3.230 1.169 1.00 . A A . 23 TRP C 1 1 9 3690 1 1 23 TRP CA C 12.020 3.766 0.401 1.00 . A A . 23 TRP CA 1 1 9 3691 1 1 23 TRP CB C 11.022 4.451 1.313 1.00 . A A . 23 TRP CB 1 1 9 3692 1 1 23 TRP CD1 C 11.139 6.870 2.115 1.00 . A A . 23 TRP CD1 1 1 9 3693 1 1 23 TRP CD2 C 10.982 6.650 -0.106 1.00 . A A . 23 TRP CD2 1 1 9 3694 1 1 23 TRP CE2 C 11.022 8.018 0.197 1.00 . A A . 23 TRP CE2 1 1 9 3695 1 1 23 TRP CE3 C 10.894 6.259 -1.452 1.00 . A A . 23 TRP CE3 1 1 9 3696 1 1 23 TRP CG C 11.035 5.932 1.142 1.00 . A A . 23 TRP CG 1 1 9 3697 1 1 23 TRP CH2 C 10.898 8.587 -2.099 1.00 . A A . 23 TRP CH2 1 1 9 3698 1 1 23 TRP CZ2 C 10.980 9.003 -0.791 1.00 . A A . 23 TRP CZ2 1 1 9 3699 1 1 23 TRP CZ3 C 10.856 7.226 -2.428 1.00 . A A . 23 TRP CZ3 1 1 9 3700 1 1 23 TRP H H 10.601 2.260 0.020 1.00 . A A . 23 TRP H 1 1 9 3701 1 1 23 TRP HA H 12.385 4.495 -0.306 1.00 . A A . 23 TRP HA 1 1 9 3702 1 1 23 TRP HB2 H 10.034 4.081 1.076 1.00 . A A . 23 TRP HB2 1 1 9 3703 1 1 23 TRP HB3 H 11.249 4.211 2.343 1.00 . A A . 23 TRP HB3 1 1 9 3704 1 1 23 TRP HD1 H 11.203 6.641 3.167 1.00 . A A . 23 TRP HD1 1 1 9 3705 1 1 23 TRP HE1 H 11.143 8.977 2.056 1.00 . A A . 23 TRP HE1 1 1 9 3706 1 1 23 TRP HE3 H 10.860 5.215 -1.728 1.00 . A A . 23 TRP HE3 1 1 9 3707 1 1 23 TRP HH2 H 10.863 9.312 -2.899 1.00 . A A . 23 TRP HH2 1 1 9 3708 1 1 23 TRP HZ2 H 11.014 10.056 -0.552 1.00 . A A . 23 TRP HZ2 1 1 9 3709 1 1 23 TRP HZ3 H 10.796 6.919 -3.463 1.00 . A A . 23 TRP HZ3 1 1 9 3710 1 1 23 TRP N N 11.371 2.738 -0.350 1.00 . A A . 23 TRP N 1 1 9 3711 1 1 23 TRP NE1 N 11.106 8.127 1.562 1.00 . A A . 23 TRP NE1 1 1 9 3712 1 1 23 TRP O O 14.257 3.838 1.194 1.00 . A A . 23 TRP O 1 1 9 3713 1 1 24 ALA C C 15.201 0.870 1.642 1.00 . A A . 24 ALA C 1 1 9 3714 1 1 24 ALA CA C 14.144 1.502 2.549 1.00 . A A . 24 ALA CA 1 1 9 3715 1 1 24 ALA CB C 13.599 0.456 3.508 1.00 . A A . 24 ALA CB 1 1 9 3716 1 1 24 ALA H H 12.188 1.654 1.761 1.00 . A A . 24 ALA H 1 1 9 3717 1 1 24 ALA HA H 14.596 2.288 3.136 1.00 . A A . 24 ALA HA 1 1 9 3718 1 1 24 ALA HB1 H 13.192 -0.368 2.941 1.00 . A A . 24 ALA HB1 1 1 9 3719 1 1 24 ALA HB2 H 12.813 0.895 4.102 1.00 . A A . 24 ALA HB2 1 1 9 3720 1 1 24 ALA HB3 H 14.388 0.097 4.154 1.00 . A A . 24 ALA HB3 1 1 9 3721 1 1 24 ALA N N 13.066 2.096 1.790 1.00 . A A . 24 ALA N 1 1 9 3722 1 1 24 ALA O O 16.374 1.149 1.753 1.00 . A A . 24 ALA O 1 1 9 3723 1 1 25 LEU C C 16.109 -0.015 -1.332 1.00 . A A . 25 LEU C 1 1 9 3724 1 1 25 LEU CA C 15.645 -0.773 -0.085 1.00 . A A . 25 LEU CA 1 1 9 3725 1 1 25 LEU CB C 14.989 -2.115 -0.472 1.00 . A A . 25 LEU CB 1 1 9 3726 1 1 25 LEU CD1 C 14.103 -4.380 0.136 1.00 . A A . 25 LEU CD1 1 1 9 3727 1 1 25 LEU CD2 C 16.182 -3.544 1.203 1.00 . A A . 25 LEU CD2 1 1 9 3728 1 1 25 LEU CG C 14.830 -3.151 0.647 1.00 . A A . 25 LEU CG 1 1 9 3729 1 1 25 LEU H H 13.796 -0.130 0.667 1.00 . A A . 25 LEU H 1 1 9 3730 1 1 25 LEU HA H 16.525 -0.999 0.494 1.00 . A A . 25 LEU HA 1 1 9 3731 1 1 25 LEU HB2 H 13.981 -1.878 -0.795 1.00 . A A . 25 LEU HB2 1 1 9 3732 1 1 25 LEU HB3 H 15.546 -2.555 -1.287 1.00 . A A . 25 LEU HB3 1 1 9 3733 1 1 25 LEU HD11 H 13.121 -4.098 -0.216 1.00 . A A . 25 LEU HD11 1 1 9 3734 1 1 25 LEU HD12 H 14.014 -5.097 0.939 1.00 . A A . 25 LEU HD12 1 1 9 3735 1 1 25 LEU HD13 H 14.665 -4.818 -0.675 1.00 . A A . 25 LEU HD13 1 1 9 3736 1 1 25 LEU HD21 H 16.794 -3.949 0.411 1.00 . A A . 25 LEU HD21 1 1 9 3737 1 1 25 LEU HD22 H 16.051 -4.291 1.972 1.00 . A A . 25 LEU HD22 1 1 9 3738 1 1 25 LEU HD23 H 16.665 -2.675 1.622 1.00 . A A . 25 LEU HD23 1 1 9 3739 1 1 25 LEU HG H 14.245 -2.727 1.449 1.00 . A A . 25 LEU HG 1 1 9 3740 1 1 25 LEU N N 14.761 -0.007 0.777 1.00 . A A . 25 LEU N 1 1 9 3741 1 1 25 LEU O O 17.237 -0.188 -1.774 1.00 . A A . 25 LEU O 1 1 9 3742 1 1 26 LEU C C 16.104 2.862 -3.032 1.00 . A A . 26 LEU C 1 1 9 3743 1 1 26 LEU CA C 15.543 1.453 -3.167 1.00 . A A . 26 LEU CA 1 1 9 3744 1 1 26 LEU CB C 14.278 1.448 -4.035 1.00 . A A . 26 LEU CB 1 1 9 3745 1 1 26 LEU CD1 C 15.229 1.375 -6.359 1.00 . A A . 26 LEU CD1 1 1 9 3746 1 1 26 LEU CD2 C 12.963 2.391 -5.949 1.00 . A A . 26 LEU CD2 1 1 9 3747 1 1 26 LEU CG C 14.355 2.142 -5.386 1.00 . A A . 26 LEU CG 1 1 9 3748 1 1 26 LEU H H 14.410 1.023 -1.437 1.00 . A A . 26 LEU H 1 1 9 3749 1 1 26 LEU HA H 16.287 0.858 -3.663 1.00 . A A . 26 LEU HA 1 1 9 3750 1 1 26 LEU HB2 H 13.987 0.421 -4.202 1.00 . A A . 26 LEU HB2 1 1 9 3751 1 1 26 LEU HB3 H 13.497 1.926 -3.461 1.00 . A A . 26 LEU HB3 1 1 9 3752 1 1 26 LEU HD11 H 16.234 1.305 -5.972 1.00 . A A . 26 LEU HD11 1 1 9 3753 1 1 26 LEU HD12 H 15.238 1.879 -7.313 1.00 . A A . 26 LEU HD12 1 1 9 3754 1 1 26 LEU HD13 H 14.824 0.383 -6.485 1.00 . A A . 26 LEU HD13 1 1 9 3755 1 1 26 LEU HD21 H 12.438 3.093 -5.316 1.00 . A A . 26 LEU HD21 1 1 9 3756 1 1 26 LEU HD22 H 12.413 1.463 -5.986 1.00 . A A . 26 LEU HD22 1 1 9 3757 1 1 26 LEU HD23 H 13.048 2.797 -6.945 1.00 . A A . 26 LEU HD23 1 1 9 3758 1 1 26 LEU HG H 14.819 3.100 -5.210 1.00 . A A . 26 LEU HG 1 1 9 3759 1 1 26 LEU N N 15.255 0.814 -1.884 1.00 . A A . 26 LEU N 1 1 9 3760 1 1 26 LEU O O 16.728 3.381 -3.965 1.00 . A A . 26 LEU O 1 1 9 3761 1 1 27 ALA C C 17.518 4.910 -0.790 1.00 . A A . 27 ALA C 1 1 9 3762 1 1 27 ALA CA C 16.319 4.825 -1.718 1.00 . A A . 27 ALA CA 1 1 9 3763 1 1 27 ALA CB C 15.163 5.688 -1.228 1.00 . A A . 27 ALA CB 1 1 9 3764 1 1 27 ALA H H 15.464 2.946 -1.205 1.00 . A A . 27 ALA H 1 1 9 3765 1 1 27 ALA HA H 16.622 5.191 -2.686 1.00 . A A . 27 ALA HA 1 1 9 3766 1 1 27 ALA HB1 H 15.466 6.723 -1.200 1.00 . A A . 27 ALA HB1 1 1 9 3767 1 1 27 ALA HB2 H 14.878 5.367 -0.237 1.00 . A A . 27 ALA HB2 1 1 9 3768 1 1 27 ALA HB3 H 14.319 5.575 -1.894 1.00 . A A . 27 ALA HB3 1 1 9 3769 1 1 27 ALA N N 15.892 3.459 -1.917 1.00 . A A . 27 ALA N 1 1 9 3770 1 1 27 ALA O O 18.641 4.674 -1.262 1.00 . A A . 27 ALA O 1 1 9 3771 1 1 27 ALA OXT O 17.349 5.252 0.386 1.00 . A A . 27 ALA OXT 1 1 10 3772 1 1 1 ARG C C 14.971 -7.211 -1.978 1.00 . A A . 1 ARG C 1 1 10 3773 1 1 1 ARG CA C 15.128 -8.674 -1.725 1.00 . A A . 1 ARG CA 1 1 10 3774 1 1 1 ARG CB C 14.184 -9.114 -0.620 1.00 . A A . 1 ARG CB 1 1 10 3775 1 1 1 ARG CD C 13.269 -11.193 -1.690 1.00 . A A . 1 ARG CD 1 1 10 3776 1 1 1 ARG CG C 14.004 -10.608 -0.498 1.00 . A A . 1 ARG CG 1 1 10 3777 1 1 1 ARG CZ C 12.112 -13.342 -2.180 1.00 . A A . 1 ARG CZ 1 1 10 3778 1 1 1 ARG H1 H 16.709 -9.948 -1.185 1.00 . A A . 1 ARG H1 1 1 10 3779 1 1 1 ARG H2 H 16.789 -8.381 -0.561 1.00 . A A . 1 ARG H2 1 1 10 3780 1 1 1 ARG H3 H 17.101 -8.644 -2.184 1.00 . A A . 1 ARG H3 1 1 10 3781 1 1 1 ARG HA H 14.901 -9.210 -2.635 1.00 . A A . 1 ARG HA 1 1 10 3782 1 1 1 ARG HB2 H 14.548 -8.735 0.322 1.00 . A A . 1 ARG HB2 1 1 10 3783 1 1 1 ARG HB3 H 13.222 -8.672 -0.827 1.00 . A A . 1 ARG HB3 1 1 10 3784 1 1 1 ARG HD2 H 12.327 -10.681 -1.807 1.00 . A A . 1 ARG HD2 1 1 10 3785 1 1 1 ARG HD3 H 13.876 -11.055 -2.572 1.00 . A A . 1 ARG HD3 1 1 10 3786 1 1 1 ARG HE H 13.588 -13.062 -0.845 1.00 . A A . 1 ARG HE 1 1 10 3787 1 1 1 ARG HG2 H 14.976 -11.073 -0.434 1.00 . A A . 1 ARG HG2 1 1 10 3788 1 1 1 ARG HG3 H 13.436 -10.811 0.395 1.00 . A A . 1 ARG HG3 1 1 10 3789 1 1 1 ARG HH11 H 11.296 -11.805 -3.301 1.00 . A A . 1 ARG HH11 1 1 10 3790 1 1 1 ARG HH12 H 10.634 -13.344 -3.562 1.00 . A A . 1 ARG HH12 1 1 10 3791 1 1 1 ARG HH21 H 12.621 -15.068 -1.262 1.00 . A A . 1 ARG HH21 1 1 10 3792 1 1 1 ARG HH22 H 11.371 -15.244 -2.407 1.00 . A A . 1 ARG HH22 1 1 10 3793 1 1 1 ARG N N 16.514 -8.949 -1.385 1.00 . A A . 1 ARG N 1 1 10 3794 1 1 1 ARG NE N 13.019 -12.615 -1.513 1.00 . A A . 1 ARG NE 1 1 10 3795 1 1 1 ARG NH1 N 11.302 -12.783 -3.065 1.00 . A A . 1 ARG NH1 1 1 10 3796 1 1 1 ARG NH2 N 12.020 -14.631 -1.939 1.00 . A A . 1 ARG NH2 1 1 10 3797 1 1 1 ARG O O 15.921 -6.439 -1.805 1.00 . A A . 1 ARG O 1 1 10 3798 1 1 2 ASN C C 13.113 -4.677 -1.418 1.00 . A A . 2 ASN C 1 1 10 3799 1 1 2 ASN CA C 13.545 -5.427 -2.677 1.00 . A A . 2 ASN CA 1 1 10 3800 1 1 2 ASN CB C 12.527 -5.276 -3.807 1.00 . A A . 2 ASN CB 1 1 10 3801 1 1 2 ASN CG C 12.402 -3.849 -4.305 1.00 . A A . 2 ASN CG 1 1 10 3802 1 1 2 ASN H H 13.073 -7.467 -2.497 1.00 . A A . 2 ASN H 1 1 10 3803 1 1 2 ASN HA H 14.486 -5.009 -3.001 1.00 . A A . 2 ASN HA 1 1 10 3804 1 1 2 ASN HB2 H 12.829 -5.892 -4.640 1.00 . A A . 2 ASN HB2 1 1 10 3805 1 1 2 ASN HB3 H 11.564 -5.599 -3.443 1.00 . A A . 2 ASN HB3 1 1 10 3806 1 1 2 ASN HD21 H 10.525 -4.165 -4.772 1.00 . A A . 2 ASN HD21 1 1 10 3807 1 1 2 ASN HD22 H 11.138 -2.584 -5.126 1.00 . A A . 2 ASN HD22 1 1 10 3808 1 1 2 ASN N N 13.795 -6.810 -2.384 1.00 . A A . 2 ASN N 1 1 10 3809 1 1 2 ASN ND2 N 11.246 -3.496 -4.774 1.00 . A A . 2 ASN ND2 1 1 10 3810 1 1 2 ASN O O 11.934 -4.576 -1.098 1.00 . A A . 2 ASN O 1 1 10 3811 1 1 2 ASN OD1 O 13.359 -3.069 -4.255 1.00 . A A . 2 ASN OD1 1 1 10 3812 1 1 3 LYS C C 14.209 -2.025 0.293 1.00 . A A . 3 LYS C 1 1 10 3813 1 1 3 LYS CA C 13.883 -3.489 0.541 1.00 . A A . 3 LYS CA 1 1 10 3814 1 1 3 LYS CB C 14.850 -4.024 1.589 1.00 . A A . 3 LYS CB 1 1 10 3815 1 1 3 LYS CD C 16.062 -3.390 3.693 1.00 . A A . 3 LYS CD 1 1 10 3816 1 1 3 LYS CE C 17.042 -2.419 3.044 1.00 . A A . 3 LYS CE 1 1 10 3817 1 1 3 LYS CG C 14.732 -3.369 2.962 1.00 . A A . 3 LYS CG 1 1 10 3818 1 1 3 LYS H H 15.007 -4.362 -0.988 1.00 . A A . 3 LYS H 1 1 10 3819 1 1 3 LYS HA H 12.867 -3.591 0.903 1.00 . A A . 3 LYS HA 1 1 10 3820 1 1 3 LYS HB2 H 14.662 -5.083 1.701 1.00 . A A . 3 LYS HB2 1 1 10 3821 1 1 3 LYS HB3 H 15.854 -3.895 1.221 1.00 . A A . 3 LYS HB3 1 1 10 3822 1 1 3 LYS HD2 H 15.909 -3.092 4.721 1.00 . A A . 3 LYS HD2 1 1 10 3823 1 1 3 LYS HD3 H 16.482 -4.385 3.660 1.00 . A A . 3 LYS HD3 1 1 10 3824 1 1 3 LYS HE2 H 17.081 -2.571 1.977 1.00 . A A . 3 LYS HE2 1 1 10 3825 1 1 3 LYS HE3 H 16.694 -1.416 3.240 1.00 . A A . 3 LYS HE3 1 1 10 3826 1 1 3 LYS HG2 H 14.427 -2.340 2.836 1.00 . A A . 3 LYS HG2 1 1 10 3827 1 1 3 LYS HG3 H 13.995 -3.902 3.546 1.00 . A A . 3 LYS HG3 1 1 10 3828 1 1 3 LYS HZ1 H 19.048 -1.872 3.137 1.00 . A A . 3 LYS HZ1 1 1 10 3829 1 1 3 LYS HZ2 H 18.742 -3.516 3.411 1.00 . A A . 3 LYS HZ2 1 1 10 3830 1 1 3 LYS HZ3 H 18.389 -2.399 4.609 1.00 . A A . 3 LYS HZ3 1 1 10 3831 1 1 3 LYS N N 14.084 -4.214 -0.689 1.00 . A A . 3 LYS N 1 1 10 3832 1 1 3 LYS NZ N 18.394 -2.550 3.582 1.00 . A A . 3 LYS NZ 1 1 10 3833 1 1 3 LYS O O 15.261 -1.710 -0.276 1.00 . A A . 3 LYS O 1 1 10 3834 1 1 4 LEU C C 12.337 0.927 1.277 1.00 . A A . 4 LEU C 1 1 10 3835 1 1 4 LEU CA C 13.492 0.271 0.564 1.00 . A A . 4 LEU CA 1 1 10 3836 1 1 4 LEU CB C 13.489 0.688 -0.925 1.00 . A A . 4 LEU CB 1 1 10 3837 1 1 4 LEU CD1 C 15.178 2.555 -0.810 1.00 . A A . 4 LEU CD1 1 1 10 3838 1 1 4 LEU CD2 C 13.547 2.448 -2.707 1.00 . A A . 4 LEU CD2 1 1 10 3839 1 1 4 LEU CG C 13.770 2.162 -1.233 1.00 . A A . 4 LEU CG 1 1 10 3840 1 1 4 LEU H H 12.513 -1.462 1.173 1.00 . A A . 4 LEU H 1 1 10 3841 1 1 4 LEU HA H 14.423 0.559 1.028 1.00 . A A . 4 LEU HA 1 1 10 3842 1 1 4 LEU HB2 H 14.232 0.097 -1.441 1.00 . A A . 4 LEU HB2 1 1 10 3843 1 1 4 LEU HB3 H 12.518 0.446 -1.332 1.00 . A A . 4 LEU HB3 1 1 10 3844 1 1 4 LEU HD11 H 15.296 2.398 0.251 1.00 . A A . 4 LEU HD11 1 1 10 3845 1 1 4 LEU HD12 H 15.346 3.598 -1.032 1.00 . A A . 4 LEU HD12 1 1 10 3846 1 1 4 LEU HD13 H 15.894 1.951 -1.346 1.00 . A A . 4 LEU HD13 1 1 10 3847 1 1 4 LEU HD21 H 13.742 3.491 -2.907 1.00 . A A . 4 LEU HD21 1 1 10 3848 1 1 4 LEU HD22 H 12.525 2.215 -2.969 1.00 . A A . 4 LEU HD22 1 1 10 3849 1 1 4 LEU HD23 H 14.216 1.838 -3.295 1.00 . A A . 4 LEU HD23 1 1 10 3850 1 1 4 LEU HG H 13.084 2.771 -0.662 1.00 . A A . 4 LEU HG 1 1 10 3851 1 1 4 LEU N N 13.325 -1.154 0.709 1.00 . A A . 4 LEU N 1 1 10 3852 1 1 4 LEU O O 11.251 0.328 1.366 1.00 . A A . 4 LEU O 1 1 10 3853 1 1 5 ALA C C 10.311 3.133 1.611 1.00 . A A . 5 ALA C 1 1 10 3854 1 1 5 ALA CA C 11.545 2.910 2.473 1.00 . A A . 5 ALA CA 1 1 10 3855 1 1 5 ALA CB C 12.127 4.242 2.924 1.00 . A A . 5 ALA CB 1 1 10 3856 1 1 5 ALA H H 13.474 2.480 1.730 1.00 . A A . 5 ALA H 1 1 10 3857 1 1 5 ALA HA H 11.272 2.351 3.350 1.00 . A A . 5 ALA HA 1 1 10 3858 1 1 5 ALA HB1 H 12.422 4.810 2.055 1.00 . A A . 5 ALA HB1 1 1 10 3859 1 1 5 ALA HB2 H 12.986 4.066 3.554 1.00 . A A . 5 ALA HB2 1 1 10 3860 1 1 5 ALA HB3 H 11.384 4.796 3.479 1.00 . A A . 5 ALA HB3 1 1 10 3861 1 1 5 ALA N N 12.559 2.124 1.778 1.00 . A A . 5 ALA N 1 1 10 3862 1 1 5 ALA O O 9.201 3.251 2.105 1.00 . A A . 5 ALA O 1 1 10 3863 1 1 6 TYR C C 8.708 2.114 -0.940 1.00 . A A . 6 TYR C 1 1 10 3864 1 1 6 TYR CA C 9.436 3.395 -0.608 1.00 . A A . 6 TYR CA 1 1 10 3865 1 1 6 TYR CB C 9.921 4.143 -1.843 1.00 . A A . 6 TYR CB 1 1 10 3866 1 1 6 TYR CD1 C 9.455 6.571 -1.432 1.00 . A A . 6 TYR CD1 1 1 10 3867 1 1 6 TYR CD2 C 11.686 5.808 -1.136 1.00 . A A . 6 TYR CD2 1 1 10 3868 1 1 6 TYR CE1 C 9.833 7.834 -1.050 1.00 . A A . 6 TYR CE1 1 1 10 3869 1 1 6 TYR CE2 C 12.077 7.073 -0.760 1.00 . A A . 6 TYR CE2 1 1 10 3870 1 1 6 TYR CG C 10.367 5.537 -1.480 1.00 . A A . 6 TYR CG 1 1 10 3871 1 1 6 TYR CZ C 11.144 8.084 -0.714 1.00 . A A . 6 TYR CZ 1 1 10 3872 1 1 6 TYR H H 11.432 3.028 0.005 1.00 . A A . 6 TYR H 1 1 10 3873 1 1 6 TYR HA H 8.736 4.026 -0.080 1.00 . A A . 6 TYR HA 1 1 10 3874 1 1 6 TYR HB2 H 10.753 3.616 -2.288 1.00 . A A . 6 TYR HB2 1 1 10 3875 1 1 6 TYR HB3 H 9.115 4.224 -2.557 1.00 . A A . 6 TYR HB3 1 1 10 3876 1 1 6 TYR HD1 H 8.424 6.374 -1.695 1.00 . A A . 6 TYR HD1 1 1 10 3877 1 1 6 TYR HD2 H 12.415 5.012 -1.178 1.00 . A A . 6 TYR HD2 1 1 10 3878 1 1 6 TYR HE1 H 9.101 8.627 -1.019 1.00 . A A . 6 TYR HE1 1 1 10 3879 1 1 6 TYR HE2 H 13.107 7.267 -0.499 1.00 . A A . 6 TYR HE2 1 1 10 3880 1 1 6 TYR HH H 10.912 9.609 0.382 1.00 . A A . 6 TYR HH 1 1 10 3881 1 1 6 TYR N N 10.517 3.165 0.324 1.00 . A A . 6 TYR N 1 1 10 3882 1 1 6 TYR O O 7.589 2.128 -1.425 1.00 . A A . 6 TYR O 1 1 10 3883 1 1 6 TYR OH O 11.520 9.342 -0.318 1.00 . A A . 6 TYR OH 1 1 10 3884 1 1 7 ASN C C 7.780 -0.514 0.295 1.00 . A A . 7 ASN C 1 1 10 3885 1 1 7 ASN CA C 8.713 -0.262 -0.853 1.00 . A A . 7 ASN CA 1 1 10 3886 1 1 7 ASN CB C 9.719 -1.410 -0.997 1.00 . A A . 7 ASN CB 1 1 10 3887 1 1 7 ASN CG C 10.610 -1.254 -2.199 1.00 . A A . 7 ASN CG 1 1 10 3888 1 1 7 ASN H H 10.253 1.069 -0.319 1.00 . A A . 7 ASN H 1 1 10 3889 1 1 7 ASN HA H 8.113 -0.203 -1.748 1.00 . A A . 7 ASN HA 1 1 10 3890 1 1 7 ASN HB2 H 10.348 -1.453 -0.122 1.00 . A A . 7 ASN HB2 1 1 10 3891 1 1 7 ASN HB3 H 9.168 -2.336 -1.091 1.00 . A A . 7 ASN HB3 1 1 10 3892 1 1 7 ASN HD21 H 12.017 -2.296 -1.317 1.00 . A A . 7 ASN HD21 1 1 10 3893 1 1 7 ASN HD22 H 12.358 -1.742 -2.917 1.00 . A A . 7 ASN HD22 1 1 10 3894 1 1 7 ASN N N 9.345 1.016 -0.680 1.00 . A A . 7 ASN N 1 1 10 3895 1 1 7 ASN ND2 N 11.773 -1.804 -2.129 1.00 . A A . 7 ASN ND2 1 1 10 3896 1 1 7 ASN O O 6.597 -0.691 0.122 1.00 . A A . 7 ASN O 1 1 10 3897 1 1 7 ASN OD1 O 10.243 -0.658 -3.189 1.00 . A A . 7 ASN OD1 1 1 10 3898 1 1 8 MET C C 6.674 0.394 3.127 1.00 . A A . 8 MET C 1 1 10 3899 1 1 8 MET CA C 7.533 -0.797 2.664 1.00 . A A . 8 MET CA 1 1 10 3900 1 1 8 MET CB C 8.389 -1.390 3.796 1.00 . A A . 8 MET CB 1 1 10 3901 1 1 8 MET CE C 6.435 -3.921 2.564 1.00 . A A . 8 MET CE 1 1 10 3902 1 1 8 MET CG C 8.866 -2.837 3.599 1.00 . A A . 8 MET CG 1 1 10 3903 1 1 8 MET H H 9.281 -0.316 1.569 1.00 . A A . 8 MET H 1 1 10 3904 1 1 8 MET HA H 6.841 -1.553 2.335 1.00 . A A . 8 MET HA 1 1 10 3905 1 1 8 MET HB2 H 9.296 -0.804 3.840 1.00 . A A . 8 MET HB2 1 1 10 3906 1 1 8 MET HB3 H 7.864 -1.313 4.736 1.00 . A A . 8 MET HB3 1 1 10 3907 1 1 8 MET HE1 H 5.829 -3.048 2.741 1.00 . A A . 8 MET HE1 1 1 10 3908 1 1 8 MET HE2 H 5.797 -4.790 2.513 1.00 . A A . 8 MET HE2 1 1 10 3909 1 1 8 MET HE3 H 6.978 -3.808 1.637 1.00 . A A . 8 MET HE3 1 1 10 3910 1 1 8 MET HG2 H 9.222 -2.942 2.586 1.00 . A A . 8 MET HG2 1 1 10 3911 1 1 8 MET HG3 H 9.697 -3.002 4.268 1.00 . A A . 8 MET HG3 1 1 10 3912 1 1 8 MET N N 8.325 -0.524 1.480 1.00 . A A . 8 MET N 1 1 10 3913 1 1 8 MET O O 5.444 0.319 3.106 1.00 . A A . 8 MET O 1 1 10 3914 1 1 8 MET SD S 7.611 -4.140 3.894 1.00 . A A . 8 MET SD 1 1 10 3915 1 1 9 GLY C C 5.736 3.364 3.062 1.00 . A A . 9 GLY C 1 1 10 3916 1 1 9 GLY CA C 6.643 2.650 4.028 1.00 . A A . 9 GLY CA 1 1 10 3917 1 1 9 GLY H H 8.302 1.517 3.378 1.00 . A A . 9 GLY H 1 1 10 3918 1 1 9 GLY HA2 H 6.051 2.337 4.876 1.00 . A A . 9 GLY HA2 1 1 10 3919 1 1 9 GLY HA3 H 7.398 3.343 4.365 1.00 . A A . 9 GLY HA3 1 1 10 3920 1 1 9 GLY N N 7.322 1.488 3.474 1.00 . A A . 9 GLY N 1 1 10 3921 1 1 9 GLY O O 4.600 3.712 3.411 1.00 . A A . 9 GLY O 1 1 10 3922 1 1 10 HIS C C 4.168 3.433 0.494 1.00 . A A . 10 HIS C 1 1 10 3923 1 1 10 HIS CA C 5.396 4.270 0.859 1.00 . A A . 10 HIS CA 1 1 10 3924 1 1 10 HIS CB C 6.241 4.640 -0.367 1.00 . A A . 10 HIS CB 1 1 10 3925 1 1 10 HIS CD2 C 5.441 5.289 -2.720 1.00 . A A . 10 HIS CD2 1 1 10 3926 1 1 10 HIS CE1 C 4.195 6.959 -2.177 1.00 . A A . 10 HIS CE1 1 1 10 3927 1 1 10 HIS CG C 5.519 5.439 -1.385 1.00 . A A . 10 HIS CG 1 1 10 3928 1 1 10 HIS H H 7.114 3.265 1.659 1.00 . A A . 10 HIS H 1 1 10 3929 1 1 10 HIS HA H 5.007 5.180 1.297 1.00 . A A . 10 HIS HA 1 1 10 3930 1 1 10 HIS HB2 H 7.083 5.237 -0.051 1.00 . A A . 10 HIS HB2 1 1 10 3931 1 1 10 HIS HB3 H 6.597 3.739 -0.845 1.00 . A A . 10 HIS HB3 1 1 10 3932 1 1 10 HIS HD1 H 4.593 6.876 -0.173 1.00 . A A . 10 HIS HD1 1 1 10 3933 1 1 10 HIS HD2 H 5.967 4.550 -3.303 1.00 . A A . 10 HIS HD2 1 1 10 3934 1 1 10 HIS HE1 H 3.505 7.784 -2.181 1.00 . A A . 10 HIS HE1 1 1 10 3935 1 1 10 HIS N N 6.203 3.578 1.856 1.00 . A A . 10 HIS N 1 1 10 3936 1 1 10 HIS ND1 N 4.730 6.503 -1.074 1.00 . A A . 10 HIS ND1 1 1 10 3937 1 1 10 HIS NE2 N 4.589 6.262 -3.226 1.00 . A A . 10 HIS NE2 1 1 10 3938 1 1 10 HIS O O 3.060 3.966 0.367 1.00 . A A . 10 HIS O 1 1 10 3939 1 1 11 TYR C C 2.267 1.171 1.280 1.00 . A A . 11 TYR C 1 1 10 3940 1 1 11 TYR CA C 3.216 1.247 0.122 1.00 . A A . 11 TYR CA 1 1 10 3941 1 1 11 TYR CB C 3.623 -0.129 -0.328 1.00 . A A . 11 TYR CB 1 1 10 3942 1 1 11 TYR CD1 C 5.028 0.146 -2.380 1.00 . A A . 11 TYR CD1 1 1 10 3943 1 1 11 TYR CD2 C 2.824 -0.690 -2.618 1.00 . A A . 11 TYR CD2 1 1 10 3944 1 1 11 TYR CE1 C 5.212 0.058 -3.741 1.00 . A A . 11 TYR CE1 1 1 10 3945 1 1 11 TYR CE2 C 2.987 -0.786 -3.975 1.00 . A A . 11 TYR CE2 1 1 10 3946 1 1 11 TYR CG C 3.835 -0.226 -1.803 1.00 . A A . 11 TYR CG 1 1 10 3947 1 1 11 TYR CZ C 4.185 -0.409 -4.540 1.00 . A A . 11 TYR CZ 1 1 10 3948 1 1 11 TYR H H 5.239 1.736 0.467 1.00 . A A . 11 TYR H 1 1 10 3949 1 1 11 TYR HA H 2.675 1.717 -0.686 1.00 . A A . 11 TYR HA 1 1 10 3950 1 1 11 TYR HB2 H 4.549 -0.400 0.157 1.00 . A A . 11 TYR HB2 1 1 10 3951 1 1 11 TYR HB3 H 2.849 -0.830 -0.054 1.00 . A A . 11 TYR HB3 1 1 10 3952 1 1 11 TYR HD1 H 5.818 0.507 -1.735 1.00 . A A . 11 TYR HD1 1 1 10 3953 1 1 11 TYR HD2 H 1.889 -0.981 -2.164 1.00 . A A . 11 TYR HD2 1 1 10 3954 1 1 11 TYR HE1 H 6.156 0.356 -4.169 1.00 . A A . 11 TYR HE1 1 1 10 3955 1 1 11 TYR HE2 H 2.163 -1.152 -4.572 1.00 . A A . 11 TYR HE2 1 1 10 3956 1 1 11 TYR HH H 5.287 -0.748 -6.043 1.00 . A A . 11 TYR HH 1 1 10 3957 1 1 11 TYR N N 4.342 2.123 0.382 1.00 . A A . 11 TYR N 1 1 10 3958 1 1 11 TYR O O 1.079 0.983 1.078 1.00 . A A . 11 TYR O 1 1 10 3959 1 1 11 TYR OH O 4.364 -0.505 -5.890 1.00 . A A . 11 TYR OH 1 1 10 3960 1 1 12 ALA C C 0.921 2.495 3.546 1.00 . A A . 12 ALA C 1 1 10 3961 1 1 12 ALA CA C 1.942 1.381 3.682 1.00 . A A . 12 ALA CA 1 1 10 3962 1 1 12 ALA CB C 2.778 1.573 4.943 1.00 . A A . 12 ALA CB 1 1 10 3963 1 1 12 ALA H H 3.756 1.419 2.581 1.00 . A A . 12 ALA H 1 1 10 3964 1 1 12 ALA HA H 1.416 0.441 3.740 1.00 . A A . 12 ALA HA 1 1 10 3965 1 1 12 ALA HB1 H 3.309 2.511 4.884 1.00 . A A . 12 ALA HB1 1 1 10 3966 1 1 12 ALA HB2 H 3.489 0.766 5.035 1.00 . A A . 12 ALA HB2 1 1 10 3967 1 1 12 ALA HB3 H 2.127 1.582 5.806 1.00 . A A . 12 ALA HB3 1 1 10 3968 1 1 12 ALA N N 2.782 1.338 2.486 1.00 . A A . 12 ALA N 1 1 10 3969 1 1 12 ALA O O -0.211 2.363 3.980 1.00 . A A . 12 ALA O 1 1 10 3970 1 1 13 GLY C C -0.694 4.255 1.687 1.00 . A A . 13 GLY C 1 1 10 3971 1 1 13 GLY CA C 0.419 4.657 2.640 1.00 . A A . 13 GLY CA 1 1 10 3972 1 1 13 GLY H H 2.253 3.606 2.583 1.00 . A A . 13 GLY H 1 1 10 3973 1 1 13 GLY HA2 H -0.013 4.975 3.576 1.00 . A A . 13 GLY HA2 1 1 10 3974 1 1 13 GLY HA3 H 0.969 5.477 2.202 1.00 . A A . 13 GLY HA3 1 1 10 3975 1 1 13 GLY N N 1.322 3.569 2.892 1.00 . A A . 13 GLY N 1 1 10 3976 1 1 13 GLY O O -1.881 4.369 2.018 1.00 . A A . 13 GLY O 1 1 10 3977 1 1 14 LYS C C -2.162 2.189 -0.083 1.00 . A A . 14 LYS C 1 1 10 3978 1 1 14 LYS CA C -1.281 3.330 -0.488 1.00 . A A . 14 LYS CA 1 1 10 3979 1 1 14 LYS CB C -0.652 3.031 -1.866 1.00 . A A . 14 LYS CB 1 1 10 3980 1 1 14 LYS CD C 1.257 4.665 -2.229 1.00 . A A . 14 LYS CD 1 1 10 3981 1 1 14 LYS CE C 2.295 3.691 -2.777 1.00 . A A . 14 LYS CE 1 1 10 3982 1 1 14 LYS CG C -0.146 4.254 -2.628 1.00 . A A . 14 LYS CG 1 1 10 3983 1 1 14 LYS H H 0.637 3.474 0.447 1.00 . A A . 14 LYS H 1 1 10 3984 1 1 14 LYS HA H -1.916 4.196 -0.596 1.00 . A A . 14 LYS HA 1 1 10 3985 1 1 14 LYS HB2 H 0.179 2.358 -1.713 1.00 . A A . 14 LYS HB2 1 1 10 3986 1 1 14 LYS HB3 H -1.388 2.529 -2.475 1.00 . A A . 14 LYS HB3 1 1 10 3987 1 1 14 LYS HD2 H 1.467 5.648 -2.621 1.00 . A A . 14 LYS HD2 1 1 10 3988 1 1 14 LYS HD3 H 1.332 4.681 -1.152 1.00 . A A . 14 LYS HD3 1 1 10 3989 1 1 14 LYS HE2 H 3.272 3.972 -2.422 1.00 . A A . 14 LYS HE2 1 1 10 3990 1 1 14 LYS HE3 H 2.057 2.696 -2.439 1.00 . A A . 14 LYS HE3 1 1 10 3991 1 1 14 LYS HG2 H -0.153 4.036 -3.686 1.00 . A A . 14 LYS HG2 1 1 10 3992 1 1 14 LYS HG3 H -0.823 5.071 -2.432 1.00 . A A . 14 LYS HG3 1 1 10 3993 1 1 14 LYS HZ1 H 3.062 3.080 -4.638 1.00 . A A . 14 LYS HZ1 1 1 10 3994 1 1 14 LYS HZ2 H 2.485 4.648 -4.634 1.00 . A A . 14 LYS HZ2 1 1 10 3995 1 1 14 LYS HZ3 H 1.411 3.368 -4.637 1.00 . A A . 14 LYS HZ3 1 1 10 3996 1 1 14 LYS N N -0.312 3.684 0.550 1.00 . A A . 14 LYS N 1 1 10 3997 1 1 14 LYS NZ N 2.319 3.694 -4.252 1.00 . A A . 14 LYS NZ 1 1 10 3998 1 1 14 LYS O O -3.337 2.170 -0.409 1.00 . A A . 14 LYS O 1 1 10 3999 1 1 15 ALA C C -3.392 0.493 2.121 1.00 . A A . 15 ALA C 1 1 10 4000 1 1 15 ALA CA C -2.381 0.113 1.060 1.00 . A A . 15 ALA CA 1 1 10 4001 1 1 15 ALA CB C -1.488 -1.001 1.532 1.00 . A A . 15 ALA CB 1 1 10 4002 1 1 15 ALA H H -0.668 1.313 0.899 1.00 . A A . 15 ALA H 1 1 10 4003 1 1 15 ALA HA H -2.925 -0.232 0.192 1.00 . A A . 15 ALA HA 1 1 10 4004 1 1 15 ALA HB1 H -2.111 -1.860 1.737 1.00 . A A . 15 ALA HB1 1 1 10 4005 1 1 15 ALA HB2 H -0.975 -0.693 2.432 1.00 . A A . 15 ALA HB2 1 1 10 4006 1 1 15 ALA HB3 H -0.778 -1.241 0.753 1.00 . A A . 15 ALA HB3 1 1 10 4007 1 1 15 ALA N N -1.616 1.251 0.641 1.00 . A A . 15 ALA N 1 1 10 4008 1 1 15 ALA O O -4.456 -0.076 2.186 1.00 . A A . 15 ALA O 1 1 10 4009 1 1 16 THR C C -5.116 2.742 3.323 1.00 . A A . 16 THR C 1 1 10 4010 1 1 16 THR CA C -3.996 1.892 3.943 1.00 . A A . 16 THR CA 1 1 10 4011 1 1 16 THR CB C -3.308 2.640 5.102 1.00 . A A . 16 THR CB 1 1 10 4012 1 1 16 THR CG2 C -4.286 2.834 6.248 1.00 . A A . 16 THR CG2 1 1 10 4013 1 1 16 THR H H -2.193 1.885 2.851 1.00 . A A . 16 THR H 1 1 10 4014 1 1 16 THR HA H -4.449 0.992 4.334 1.00 . A A . 16 THR HA 1 1 10 4015 1 1 16 THR HB H -2.960 3.603 4.759 1.00 . A A . 16 THR HB 1 1 10 4016 1 1 16 THR HG1 H -1.437 2.027 5.032 1.00 . A A . 16 THR HG1 1 1 10 4017 1 1 16 THR HG21 H -5.131 3.411 5.904 1.00 . A A . 16 THR HG21 1 1 10 4018 1 1 16 THR HG22 H -3.810 3.339 7.075 1.00 . A A . 16 THR HG22 1 1 10 4019 1 1 16 THR HG23 H -4.632 1.859 6.559 1.00 . A A . 16 THR HG23 1 1 10 4020 1 1 16 THR N N -3.068 1.459 2.937 1.00 . A A . 16 THR N 1 1 10 4021 1 1 16 THR O O -6.273 2.622 3.696 1.00 . A A . 16 THR O 1 1 10 4022 1 1 16 THR OG1 O -2.217 1.842 5.577 1.00 . A A . 16 THR OG1 1 1 10 4023 1 1 17 ILE C C -6.619 3.587 0.720 1.00 . A A . 17 ILE C 1 1 10 4024 1 1 17 ILE CA C -5.825 4.400 1.762 1.00 . A A . 17 ILE CA 1 1 10 4025 1 1 17 ILE CB C -5.318 5.775 1.186 1.00 . A A . 17 ILE CB 1 1 10 4026 1 1 17 ILE CD1 C -7.531 7.026 1.567 1.00 . A A . 17 ILE CD1 1 1 10 4027 1 1 17 ILE CG1 C -6.466 6.593 0.571 1.00 . A A . 17 ILE CG1 1 1 10 4028 1 1 17 ILE CG2 C -4.199 5.599 0.179 1.00 . A A . 17 ILE CG2 1 1 10 4029 1 1 17 ILE H H -3.839 3.735 2.127 1.00 . A A . 17 ILE H 1 1 10 4030 1 1 17 ILE HA H -6.522 4.607 2.565 1.00 . A A . 17 ILE HA 1 1 10 4031 1 1 17 ILE HB H -4.913 6.334 2.017 1.00 . A A . 17 ILE HB 1 1 10 4032 1 1 17 ILE HD11 H -7.983 6.155 2.017 1.00 . A A . 17 ILE HD11 1 1 10 4033 1 1 17 ILE HD12 H -8.290 7.601 1.060 1.00 . A A . 17 ILE HD12 1 1 10 4034 1 1 17 ILE HD13 H -7.068 7.630 2.335 1.00 . A A . 17 ILE HD13 1 1 10 4035 1 1 17 ILE HG12 H -6.056 7.487 0.125 1.00 . A A . 17 ILE HG12 1 1 10 4036 1 1 17 ILE HG13 H -6.947 6.005 -0.198 1.00 . A A . 17 ILE HG13 1 1 10 4037 1 1 17 ILE HG21 H -4.539 4.982 -0.639 1.00 . A A . 17 ILE HG21 1 1 10 4038 1 1 17 ILE HG22 H -3.353 5.132 0.660 1.00 . A A . 17 ILE HG22 1 1 10 4039 1 1 17 ILE HG23 H -3.907 6.567 -0.198 1.00 . A A . 17 ILE HG23 1 1 10 4040 1 1 17 ILE N N -4.781 3.612 2.384 1.00 . A A . 17 ILE N 1 1 10 4041 1 1 17 ILE O O -7.813 3.475 0.830 1.00 . A A . 17 ILE O 1 1 10 4042 1 1 18 PHE C C -6.986 0.865 -0.904 1.00 . A A . 18 PHE C 1 1 10 4043 1 1 18 PHE CA C -6.583 2.266 -1.332 1.00 . A A . 18 PHE CA 1 1 10 4044 1 1 18 PHE CB C -5.704 2.222 -2.590 1.00 . A A . 18 PHE CB 1 1 10 4045 1 1 18 PHE CD1 C -3.942 3.855 -3.289 1.00 . A A . 18 PHE CD1 1 1 10 4046 1 1 18 PHE CD2 C -6.208 4.586 -3.247 1.00 . A A . 18 PHE CD2 1 1 10 4047 1 1 18 PHE CE1 C -3.533 5.105 -3.690 1.00 . A A . 18 PHE CE1 1 1 10 4048 1 1 18 PHE CE2 C -5.807 5.844 -3.655 1.00 . A A . 18 PHE CE2 1 1 10 4049 1 1 18 PHE CG C -5.278 3.580 -3.065 1.00 . A A . 18 PHE CG 1 1 10 4050 1 1 18 PHE CZ C -4.464 6.104 -3.875 1.00 . A A . 18 PHE CZ 1 1 10 4051 1 1 18 PHE H H -4.955 3.064 -0.258 1.00 . A A . 18 PHE H 1 1 10 4052 1 1 18 PHE HA H -7.491 2.799 -1.574 1.00 . A A . 18 PHE HA 1 1 10 4053 1 1 18 PHE HB2 H -4.811 1.659 -2.359 1.00 . A A . 18 PHE HB2 1 1 10 4054 1 1 18 PHE HB3 H -6.235 1.732 -3.391 1.00 . A A . 18 PHE HB3 1 1 10 4055 1 1 18 PHE HD1 H -3.214 3.070 -3.149 1.00 . A A . 18 PHE HD1 1 1 10 4056 1 1 18 PHE HD2 H -7.251 4.366 -3.066 1.00 . A A . 18 PHE HD2 1 1 10 4057 1 1 18 PHE HE1 H -2.482 5.295 -3.857 1.00 . A A . 18 PHE HE1 1 1 10 4058 1 1 18 PHE HE2 H -6.539 6.625 -3.798 1.00 . A A . 18 PHE HE2 1 1 10 4059 1 1 18 PHE HZ H -4.139 7.085 -4.189 1.00 . A A . 18 PHE HZ 1 1 10 4060 1 1 18 PHE N N -5.936 3.014 -0.256 1.00 . A A . 18 PHE N 1 1 10 4061 1 1 18 PHE O O -8.157 0.511 -0.943 1.00 . A A . 18 PHE O 1 1 10 4062 1 1 19 GLY C C -7.240 -1.471 0.968 1.00 . A A . 19 GLY C 1 1 10 4063 1 1 19 GLY CA C -6.204 -1.319 -0.118 1.00 . A A . 19 GLY CA 1 1 10 4064 1 1 19 GLY H H -5.090 0.462 -0.442 1.00 . A A . 19 GLY H 1 1 10 4065 1 1 19 GLY HA2 H -6.518 -1.881 -0.984 1.00 . A A . 19 GLY HA2 1 1 10 4066 1 1 19 GLY HA3 H -5.269 -1.728 0.234 1.00 . A A . 19 GLY HA3 1 1 10 4067 1 1 19 GLY N N -5.990 0.080 -0.495 1.00 . A A . 19 GLY N 1 1 10 4068 1 1 19 GLY O O -8.202 -2.226 0.820 1.00 . A A . 19 GLY O 1 1 10 4069 1 1 20 LEU C C -9.387 -0.236 2.732 1.00 . A A . 20 LEU C 1 1 10 4070 1 1 20 LEU CA C -8.019 -0.756 3.130 1.00 . A A . 20 LEU CA 1 1 10 4071 1 1 20 LEU CB C -7.519 -0.044 4.364 1.00 . A A . 20 LEU CB 1 1 10 4072 1 1 20 LEU CD1 C -5.910 -1.747 5.258 1.00 . A A . 20 LEU CD1 1 1 10 4073 1 1 20 LEU CD2 C -7.106 -0.187 6.817 1.00 . A A . 20 LEU CD2 1 1 10 4074 1 1 20 LEU CG C -7.180 -0.955 5.521 1.00 . A A . 20 LEU CG 1 1 10 4075 1 1 20 LEU H H -6.218 -0.233 2.103 1.00 . A A . 20 LEU H 1 1 10 4076 1 1 20 LEU HA H -8.146 -1.799 3.381 1.00 . A A . 20 LEU HA 1 1 10 4077 1 1 20 LEU HB2 H -6.621 0.493 4.083 1.00 . A A . 20 LEU HB2 1 1 10 4078 1 1 20 LEU HB3 H -8.269 0.662 4.687 1.00 . A A . 20 LEU HB3 1 1 10 4079 1 1 20 LEU HD11 H -6.016 -2.317 4.347 1.00 . A A . 20 LEU HD11 1 1 10 4080 1 1 20 LEU HD12 H -5.729 -2.416 6.086 1.00 . A A . 20 LEU HD12 1 1 10 4081 1 1 20 LEU HD13 H -5.080 -1.063 5.170 1.00 . A A . 20 LEU HD13 1 1 10 4082 1 1 20 LEU HD21 H -6.847 -0.860 7.620 1.00 . A A . 20 LEU HD21 1 1 10 4083 1 1 20 LEU HD22 H -8.073 0.253 7.010 1.00 . A A . 20 LEU HD22 1 1 10 4084 1 1 20 LEU HD23 H -6.361 0.588 6.730 1.00 . A A . 20 LEU HD23 1 1 10 4085 1 1 20 LEU HG H -8.008 -1.646 5.589 1.00 . A A . 20 LEU HG 1 1 10 4086 1 1 20 LEU N N -7.062 -0.743 2.041 1.00 . A A . 20 LEU N 1 1 10 4087 1 1 20 LEU O O -10.386 -0.674 3.275 1.00 . A A . 20 LEU O 1 1 10 4088 1 1 21 ALA C C -11.533 0.109 0.643 1.00 . A A . 21 ALA C 1 1 10 4089 1 1 21 ALA CA C -10.723 1.210 1.291 1.00 . A A . 21 ALA CA 1 1 10 4090 1 1 21 ALA CB C -10.538 2.344 0.299 1.00 . A A . 21 ALA CB 1 1 10 4091 1 1 21 ALA H H -8.600 1.038 1.420 1.00 . A A . 21 ALA H 1 1 10 4092 1 1 21 ALA HA H -11.269 1.581 2.146 1.00 . A A . 21 ALA HA 1 1 10 4093 1 1 21 ALA HB1 H -9.978 3.145 0.758 1.00 . A A . 21 ALA HB1 1 1 10 4094 1 1 21 ALA HB2 H -11.499 2.714 -0.020 1.00 . A A . 21 ALA HB2 1 1 10 4095 1 1 21 ALA HB3 H -9.991 1.979 -0.559 1.00 . A A . 21 ALA HB3 1 1 10 4096 1 1 21 ALA N N -9.438 0.687 1.785 1.00 . A A . 21 ALA N 1 1 10 4097 1 1 21 ALA O O -12.748 0.148 0.636 1.00 . A A . 21 ALA O 1 1 10 4098 1 1 22 ALA C C -12.210 -2.855 0.529 1.00 . A A . 22 ALA C 1 1 10 4099 1 1 22 ALA CA C -11.525 -1.990 -0.511 1.00 . A A . 22 ALA CA 1 1 10 4100 1 1 22 ALA CB C -10.553 -2.810 -1.326 1.00 . A A . 22 ALA CB 1 1 10 4101 1 1 22 ALA H H -9.878 -0.866 0.175 1.00 . A A . 22 ALA H 1 1 10 4102 1 1 22 ALA HA H -12.273 -1.578 -1.175 1.00 . A A . 22 ALA HA 1 1 10 4103 1 1 22 ALA HB1 H -10.061 -2.178 -2.048 1.00 . A A . 22 ALA HB1 1 1 10 4104 1 1 22 ALA HB2 H -11.099 -3.586 -1.840 1.00 . A A . 22 ALA HB2 1 1 10 4105 1 1 22 ALA HB3 H -9.819 -3.248 -0.668 1.00 . A A . 22 ALA HB3 1 1 10 4106 1 1 22 ALA N N -10.858 -0.882 0.121 1.00 . A A . 22 ALA N 1 1 10 4107 1 1 22 ALA O O -13.231 -3.461 0.268 1.00 . A A . 22 ALA O 1 1 10 4108 1 1 23 TRP C C -13.160 -2.922 3.606 1.00 . A A . 23 TRP C 1 1 10 4109 1 1 23 TRP CA C -12.197 -3.718 2.738 1.00 . A A . 23 TRP CA 1 1 10 4110 1 1 23 TRP CB C -11.118 -4.407 3.547 1.00 . A A . 23 TRP CB 1 1 10 4111 1 1 23 TRP CD1 C -11.481 -6.646 4.749 1.00 . A A . 23 TRP CD1 1 1 10 4112 1 1 23 TRP CD2 C -11.563 -6.766 2.517 1.00 . A A . 23 TRP CD2 1 1 10 4113 1 1 23 TRP CE2 C -11.779 -8.049 3.037 1.00 . A A . 23 TRP CE2 1 1 10 4114 1 1 23 TRP CE3 C -11.576 -6.590 1.127 1.00 . A A . 23 TRP CE3 1 1 10 4115 1 1 23 TRP CG C -11.358 -5.882 3.628 1.00 . A A . 23 TRP CG 1 1 10 4116 1 1 23 TRP CH2 C -12.017 -8.951 0.872 1.00 . A A . 23 TRP CH2 1 1 10 4117 1 1 23 TRP CZ2 C -12.007 -9.156 2.222 1.00 . A A . 23 TRP CZ2 1 1 10 4118 1 1 23 TRP CZ3 C -11.803 -7.682 0.322 1.00 . A A . 23 TRP CZ3 1 1 10 4119 1 1 23 TRP H H -10.811 -2.410 1.860 1.00 . A A . 23 TRP H 1 1 10 4120 1 1 23 TRP HA H -12.781 -4.481 2.248 1.00 . A A . 23 TRP HA 1 1 10 4121 1 1 23 TRP HB2 H -10.154 -4.232 3.086 1.00 . A A . 23 TRP HB2 1 1 10 4122 1 1 23 TRP HB3 H -11.118 -4.000 4.547 1.00 . A A . 23 TRP HB3 1 1 10 4123 1 1 23 TRP HD1 H -11.383 -6.276 5.756 1.00 . A A . 23 TRP HD1 1 1 10 4124 1 1 23 TRP HE1 H -11.840 -8.715 5.006 1.00 . A A . 23 TRP HE1 1 1 10 4125 1 1 23 TRP HE3 H -11.419 -5.616 0.689 1.00 . A A . 23 TRP HE3 1 1 10 4126 1 1 23 TRP HH2 H -12.193 -9.780 0.204 1.00 . A A . 23 TRP HH2 1 1 10 4127 1 1 23 TRP HZ2 H -12.177 -10.144 2.625 1.00 . A A . 23 TRP HZ2 1 1 10 4128 1 1 23 TRP HZ3 H -11.823 -7.549 -0.750 1.00 . A A . 23 TRP HZ3 1 1 10 4129 1 1 23 TRP N N -11.629 -2.924 1.695 1.00 . A A . 23 TRP N 1 1 10 4130 1 1 23 TRP NE1 N -11.721 -7.953 4.396 1.00 . A A . 23 TRP NE1 1 1 10 4131 1 1 23 TRP O O -14.192 -3.409 3.990 1.00 . A A . 23 TRP O 1 1 10 4132 1 1 24 ALA C C -14.816 -0.287 3.917 1.00 . A A . 24 ALA C 1 1 10 4133 1 1 24 ALA CA C -13.650 -0.871 4.732 1.00 . A A . 24 ALA CA 1 1 10 4134 1 1 24 ALA CB C -12.841 0.233 5.396 1.00 . A A . 24 ALA CB 1 1 10 4135 1 1 24 ALA H H -11.904 -1.396 3.660 1.00 . A A . 24 ALA H 1 1 10 4136 1 1 24 ALA HA H -14.062 -1.492 5.512 1.00 . A A . 24 ALA HA 1 1 10 4137 1 1 24 ALA HB1 H -12.032 -0.205 5.962 1.00 . A A . 24 ALA HB1 1 1 10 4138 1 1 24 ALA HB2 H -13.474 0.814 6.051 1.00 . A A . 24 ALA HB2 1 1 10 4139 1 1 24 ALA HB3 H -12.430 0.875 4.631 1.00 . A A . 24 ALA HB3 1 1 10 4140 1 1 24 ALA N N -12.793 -1.716 3.936 1.00 . A A . 24 ALA N 1 1 10 4141 1 1 24 ALA O O -15.965 -0.471 4.255 1.00 . A A . 24 ALA O 1 1 10 4142 1 1 25 LEU C C -16.199 0.286 1.005 1.00 . A A . 25 LEU C 1 1 10 4143 1 1 25 LEU CA C -15.487 1.153 2.055 1.00 . A A . 25 LEU CA 1 1 10 4144 1 1 25 LEU CB C -14.844 2.371 1.380 1.00 . A A . 25 LEU CB 1 1 10 4145 1 1 25 LEU CD1 C -13.604 4.545 1.534 1.00 . A A . 25 LEU CD1 1 1 10 4146 1 1 25 LEU CD2 C -15.432 4.044 3.157 1.00 . A A . 25 LEU CD2 1 1 10 4147 1 1 25 LEU CG C -14.309 3.450 2.315 1.00 . A A . 25 LEU CG 1 1 10 4148 1 1 25 LEU H H -13.549 0.487 2.601 1.00 . A A . 25 LEU H 1 1 10 4149 1 1 25 LEU HA H -16.246 1.521 2.728 1.00 . A A . 25 LEU HA 1 1 10 4150 1 1 25 LEU HB2 H -14.013 2.015 0.788 1.00 . A A . 25 LEU HB2 1 1 10 4151 1 1 25 LEU HB3 H -15.573 2.822 0.723 1.00 . A A . 25 LEU HB3 1 1 10 4152 1 1 25 LEU HD11 H -12.781 4.122 0.975 1.00 . A A . 25 LEU HD11 1 1 10 4153 1 1 25 LEU HD12 H -13.228 5.284 2.225 1.00 . A A . 25 LEU HD12 1 1 10 4154 1 1 25 LEU HD13 H -14.306 5.007 0.853 1.00 . A A . 25 LEU HD13 1 1 10 4155 1 1 25 LEU HD21 H -15.027 4.823 3.785 1.00 . A A . 25 LEU HD21 1 1 10 4156 1 1 25 LEU HD22 H -15.866 3.281 3.786 1.00 . A A . 25 LEU HD22 1 1 10 4157 1 1 25 LEU HD23 H -16.193 4.464 2.516 1.00 . A A . 25 LEU HD23 1 1 10 4158 1 1 25 LEU HG H -13.592 2.997 2.982 1.00 . A A . 25 LEU HG 1 1 10 4159 1 1 25 LEU N N -14.491 0.439 2.870 1.00 . A A . 25 LEU N 1 1 10 4160 1 1 25 LEU O O -17.367 0.500 0.712 1.00 . A A . 25 LEU O 1 1 10 4161 1 1 26 LEU C C -16.723 -2.704 -0.215 1.00 . A A . 26 LEU C 1 1 10 4162 1 1 26 LEU CA C -16.026 -1.435 -0.686 1.00 . A A . 26 LEU CA 1 1 10 4163 1 1 26 LEU CB C -14.887 -1.772 -1.655 1.00 . A A . 26 LEU CB 1 1 10 4164 1 1 26 LEU CD1 C -16.074 -1.814 -3.891 1.00 . A A . 26 LEU CD1 1 1 10 4165 1 1 26 LEU CD2 C -13.973 -3.164 -3.533 1.00 . A A . 26 LEU CD2 1 1 10 4166 1 1 26 LEU CG C -15.229 -2.600 -2.887 1.00 . A A . 26 LEU CG 1 1 10 4167 1 1 26 LEU H H -14.567 -0.814 0.701 1.00 . A A . 26 LEU H 1 1 10 4168 1 1 26 LEU HA H -16.743 -0.827 -1.207 1.00 . A A . 26 LEU HA 1 1 10 4169 1 1 26 LEU HB2 H -14.423 -0.851 -1.970 1.00 . A A . 26 LEU HB2 1 1 10 4170 1 1 26 LEU HB3 H -14.156 -2.326 -1.082 1.00 . A A . 26 LEU HB3 1 1 10 4171 1 1 26 LEU HD11 H -16.994 -1.496 -3.424 1.00 . A A . 26 LEU HD11 1 1 10 4172 1 1 26 LEU HD12 H -16.311 -2.446 -4.737 1.00 . A A . 26 LEU HD12 1 1 10 4173 1 1 26 LEU HD13 H -15.521 -0.949 -4.228 1.00 . A A . 26 LEU HD13 1 1 10 4174 1 1 26 LEU HD21 H -13.478 -3.835 -2.845 1.00 . A A . 26 LEU HD21 1 1 10 4175 1 1 26 LEU HD22 H -13.306 -2.354 -3.793 1.00 . A A . 26 LEU HD22 1 1 10 4176 1 1 26 LEU HD23 H -14.241 -3.701 -4.429 1.00 . A A . 26 LEU HD23 1 1 10 4177 1 1 26 LEU HG H -15.819 -3.427 -2.526 1.00 . A A . 26 LEU HG 1 1 10 4178 1 1 26 LEU N N -15.490 -0.646 0.417 1.00 . A A . 26 LEU N 1 1 10 4179 1 1 26 LEU O O -17.499 -3.310 -0.955 1.00 . A A . 26 LEU O 1 1 10 4180 1 1 27 ALA C C -18.160 -3.995 2.491 1.00 . A A . 27 ALA C 1 1 10 4181 1 1 27 ALA CA C -17.028 -4.304 1.525 1.00 . A A . 27 ALA CA 1 1 10 4182 1 1 27 ALA CB C -15.965 -5.160 2.181 1.00 . A A . 27 ALA CB 1 1 10 4183 1 1 27 ALA H H -15.860 -2.529 1.518 1.00 . A A . 27 ALA H 1 1 10 4184 1 1 27 ALA HA H -17.433 -4.854 0.690 1.00 . A A . 27 ALA HA 1 1 10 4185 1 1 27 ALA HB1 H -15.178 -5.389 1.477 1.00 . A A . 27 ALA HB1 1 1 10 4186 1 1 27 ALA HB2 H -16.412 -6.073 2.541 1.00 . A A . 27 ALA HB2 1 1 10 4187 1 1 27 ALA HB3 H -15.544 -4.625 3.019 1.00 . A A . 27 ALA HB3 1 1 10 4188 1 1 27 ALA N N -16.452 -3.093 0.982 1.00 . A A . 27 ALA N 1 1 10 4189 1 1 27 ALA O O -19.303 -3.844 2.025 1.00 . A A . 27 ALA O 1 1 10 4190 1 1 27 ALA OXT O -17.916 -3.918 3.704 1.00 . A A . 27 ALA OXT 1 1 11 4191 1 1 1 ARG C C 16.142 -4.681 -2.961 1.00 . A A . 1 ARG C 1 1 11 4192 1 1 1 ARG CA C 16.805 -5.906 -2.363 1.00 . A A . 1 ARG CA 1 1 11 4193 1 1 1 ARG CB C 18.157 -6.171 -3.014 1.00 . A A . 1 ARG CB 1 1 11 4194 1 1 1 ARG CD C 20.324 -7.412 -2.899 1.00 . A A . 1 ARG CD 1 1 11 4195 1 1 1 ARG CG C 19.090 -6.976 -2.143 1.00 . A A . 1 ARG CG 1 1 11 4196 1 1 1 ARG CZ C 22.242 -6.373 -4.101 1.00 . A A . 1 ARG CZ 1 1 11 4197 1 1 1 ARG H1 H 15.036 -6.941 -2.004 1.00 . A A . 1 ARG H1 1 1 11 4198 1 1 1 ARG H2 H 16.379 -7.941 -2.100 1.00 . A A . 1 ARG H2 1 1 11 4199 1 1 1 ARG H3 H 15.723 -7.274 -3.495 1.00 . A A . 1 ARG H3 1 1 11 4200 1 1 1 ARG HA H 16.951 -5.735 -1.307 1.00 . A A . 1 ARG HA 1 1 11 4201 1 1 1 ARG HB2 H 18.001 -6.720 -3.930 1.00 . A A . 1 ARG HB2 1 1 11 4202 1 1 1 ARG HB3 H 18.625 -5.225 -3.241 1.00 . A A . 1 ARG HB3 1 1 11 4203 1 1 1 ARG HD2 H 20.974 -7.930 -2.210 1.00 . A A . 1 ARG HD2 1 1 11 4204 1 1 1 ARG HD3 H 20.031 -8.086 -3.691 1.00 . A A . 1 ARG HD3 1 1 11 4205 1 1 1 ARG HE H 20.637 -5.396 -3.397 1.00 . A A . 1 ARG HE 1 1 11 4206 1 1 1 ARG HG2 H 19.399 -6.348 -1.320 1.00 . A A . 1 ARG HG2 1 1 11 4207 1 1 1 ARG HG3 H 18.576 -7.840 -1.752 1.00 . A A . 1 ARG HG3 1 1 11 4208 1 1 1 ARG HH11 H 22.461 -8.400 -3.846 1.00 . A A . 1 ARG HH11 1 1 11 4209 1 1 1 ARG HH12 H 23.749 -7.644 -4.656 1.00 . A A . 1 ARG HH12 1 1 11 4210 1 1 1 ARG HH21 H 22.392 -4.377 -4.522 1.00 . A A . 1 ARG HH21 1 1 11 4211 1 1 1 ARG HH22 H 23.685 -5.334 -5.085 1.00 . A A . 1 ARG HH22 1 1 11 4212 1 1 1 ARG N N 15.938 -7.089 -2.492 1.00 . A A . 1 ARG N 1 1 11 4213 1 1 1 ARG NE N 21.064 -6.281 -3.478 1.00 . A A . 1 ARG NE 1 1 11 4214 1 1 1 ARG NH1 N 22.852 -7.552 -4.214 1.00 . A A . 1 ARG NH1 1 1 11 4215 1 1 1 ARG NH2 N 22.810 -5.290 -4.597 1.00 . A A . 1 ARG NH2 1 1 11 4216 1 1 1 ARG O O 16.804 -3.769 -3.470 1.00 . A A . 1 ARG O 1 1 11 4217 1 1 2 ASN C C 13.511 -2.710 -2.238 1.00 . A A . 2 ASN C 1 1 11 4218 1 1 2 ASN CA C 14.059 -3.543 -3.372 1.00 . A A . 2 ASN CA 1 1 11 4219 1 1 2 ASN CB C 12.898 -4.063 -4.239 1.00 . A A . 2 ASN CB 1 1 11 4220 1 1 2 ASN CG C 11.874 -4.905 -3.471 1.00 . A A . 2 ASN CG 1 1 11 4221 1 1 2 ASN H H 14.343 -5.313 -2.336 1.00 . A A . 2 ASN H 1 1 11 4222 1 1 2 ASN HA H 14.706 -2.932 -3.984 1.00 . A A . 2 ASN HA 1 1 11 4223 1 1 2 ASN HB2 H 12.377 -3.221 -4.667 1.00 . A A . 2 ASN HB2 1 1 11 4224 1 1 2 ASN HB3 H 13.301 -4.665 -5.040 1.00 . A A . 2 ASN HB3 1 1 11 4225 1 1 2 ASN HD21 H 10.443 -4.287 -4.669 1.00 . A A . 2 ASN HD21 1 1 11 4226 1 1 2 ASN HD22 H 9.953 -5.356 -3.409 1.00 . A A . 2 ASN HD22 1 1 11 4227 1 1 2 ASN N N 14.841 -4.630 -2.837 1.00 . A A . 2 ASN N 1 1 11 4228 1 1 2 ASN ND2 N 10.642 -4.852 -3.891 1.00 . A A . 2 ASN ND2 1 1 11 4229 1 1 2 ASN O O 12.753 -1.760 -2.461 1.00 . A A . 2 ASN O 1 1 11 4230 1 1 2 ASN OD1 O 12.205 -5.604 -2.510 1.00 . A A . 2 ASN OD1 1 1 11 4231 1 1 3 LYS C C 13.961 -0.925 0.145 1.00 . A A . 3 LYS C 1 1 11 4232 1 1 3 LYS CA C 13.446 -2.364 0.160 1.00 . A A . 3 LYS CA 1 1 11 4233 1 1 3 LYS CB C 13.934 -3.044 1.429 1.00 . A A . 3 LYS CB 1 1 11 4234 1 1 3 LYS CD C 14.197 -2.602 3.898 1.00 . A A . 3 LYS CD 1 1 11 4235 1 1 3 LYS CE C 15.501 -1.836 3.703 1.00 . A A . 3 LYS CE 1 1 11 4236 1 1 3 LYS CG C 13.313 -2.449 2.679 1.00 . A A . 3 LYS CG 1 1 11 4237 1 1 3 LYS H H 14.550 -3.794 -0.918 1.00 . A A . 3 LYS H 1 1 11 4238 1 1 3 LYS HA H 12.368 -2.361 0.149 1.00 . A A . 3 LYS HA 1 1 11 4239 1 1 3 LYS HB2 H 13.681 -4.093 1.385 1.00 . A A . 3 LYS HB2 1 1 11 4240 1 1 3 LYS HB3 H 15.005 -2.938 1.493 1.00 . A A . 3 LYS HB3 1 1 11 4241 1 1 3 LYS HD2 H 13.680 -2.215 4.763 1.00 . A A . 3 LYS HD2 1 1 11 4242 1 1 3 LYS HD3 H 14.417 -3.648 4.043 1.00 . A A . 3 LYS HD3 1 1 11 4243 1 1 3 LYS HE2 H 16.123 -2.377 3.006 1.00 . A A . 3 LYS HE2 1 1 11 4244 1 1 3 LYS HE3 H 15.283 -0.861 3.292 1.00 . A A . 3 LYS HE3 1 1 11 4245 1 1 3 LYS HG2 H 13.141 -1.397 2.503 1.00 . A A . 3 LYS HG2 1 1 11 4246 1 1 3 LYS HG3 H 12.366 -2.939 2.858 1.00 . A A . 3 LYS HG3 1 1 11 4247 1 1 3 LYS HZ1 H 16.463 -2.603 5.389 1.00 . A A . 3 LYS HZ1 1 1 11 4248 1 1 3 LYS HZ2 H 15.690 -1.135 5.637 1.00 . A A . 3 LYS HZ2 1 1 11 4249 1 1 3 LYS HZ3 H 17.146 -1.192 4.774 1.00 . A A . 3 LYS HZ3 1 1 11 4250 1 1 3 LYS N N 13.910 -3.058 -1.018 1.00 . A A . 3 LYS N 1 1 11 4251 1 1 3 LYS NZ N 16.249 -1.684 4.953 1.00 . A A . 3 LYS NZ 1 1 11 4252 1 1 3 LYS O O 15.163 -0.687 0.020 1.00 . A A . 3 LYS O 1 1 11 4253 1 1 4 LEU C C 12.203 2.145 0.836 1.00 . A A . 4 LEU C 1 1 11 4254 1 1 4 LEU CA C 13.374 1.411 0.237 1.00 . A A . 4 LEU CA 1 1 11 4255 1 1 4 LEU CB C 13.566 1.825 -1.237 1.00 . A A . 4 LEU CB 1 1 11 4256 1 1 4 LEU CD1 C 15.400 3.538 -1.042 1.00 . A A . 4 LEU CD1 1 1 11 4257 1 1 4 LEU CD2 C 13.859 3.585 -3.007 1.00 . A A . 4 LEU CD2 1 1 11 4258 1 1 4 LEU CG C 13.987 3.274 -1.526 1.00 . A A . 4 LEU CG 1 1 11 4259 1 1 4 LEU H H 12.132 -0.249 0.453 1.00 . A A . 4 LEU H 1 1 11 4260 1 1 4 LEU HA H 14.265 1.632 0.802 1.00 . A A . 4 LEU HA 1 1 11 4261 1 1 4 LEU HB2 H 14.331 1.169 -1.627 1.00 . A A . 4 LEU HB2 1 1 11 4262 1 1 4 LEU HB3 H 12.643 1.620 -1.760 1.00 . A A . 4 LEU HB3 1 1 11 4263 1 1 4 LEU HD11 H 15.663 4.574 -1.200 1.00 . A A . 4 LEU HD11 1 1 11 4264 1 1 4 LEU HD12 H 16.080 2.914 -1.602 1.00 . A A . 4 LEU HD12 1 1 11 4265 1 1 4 LEU HD13 H 15.479 3.292 0.005 1.00 . A A . 4 LEU HD13 1 1 11 4266 1 1 4 LEU HD21 H 14.155 4.609 -3.177 1.00 . A A . 4 LEU HD21 1 1 11 4267 1 1 4 LEU HD22 H 12.835 3.451 -3.319 1.00 . A A . 4 LEU HD22 1 1 11 4268 1 1 4 LEU HD23 H 14.504 2.931 -3.576 1.00 . A A . 4 LEU HD23 1 1 11 4269 1 1 4 LEU HG H 13.327 3.938 -0.984 1.00 . A A . 4 LEU HG 1 1 11 4270 1 1 4 LEU N N 13.063 0.007 0.291 1.00 . A A . 4 LEU N 1 1 11 4271 1 1 4 LEU O O 11.130 1.552 1.001 1.00 . A A . 4 LEU O 1 1 11 4272 1 1 5 ALA C C 10.189 4.349 0.733 1.00 . A A . 5 ALA C 1 1 11 4273 1 1 5 ALA CA C 11.349 4.246 1.709 1.00 . A A . 5 ALA CA 1 1 11 4274 1 1 5 ALA CB C 11.903 5.614 2.035 1.00 . A A . 5 ALA CB 1 1 11 4275 1 1 5 ALA H H 13.307 3.770 1.100 1.00 . A A . 5 ALA H 1 1 11 4276 1 1 5 ALA HA H 10.988 3.793 2.616 1.00 . A A . 5 ALA HA 1 1 11 4277 1 1 5 ALA HB1 H 12.714 5.496 2.737 1.00 . A A . 5 ALA HB1 1 1 11 4278 1 1 5 ALA HB2 H 11.133 6.236 2.465 1.00 . A A . 5 ALA HB2 1 1 11 4279 1 1 5 ALA HB3 H 12.281 6.060 1.127 1.00 . A A . 5 ALA HB3 1 1 11 4280 1 1 5 ALA N N 12.399 3.399 1.175 1.00 . A A . 5 ALA N 1 1 11 4281 1 1 5 ALA O O 9.030 4.253 1.107 1.00 . A A . 5 ALA O 1 1 11 4282 1 1 6 TYR C C 8.870 3.204 -1.845 1.00 . A A . 6 TYR C 1 1 11 4283 1 1 6 TYR CA C 9.486 4.555 -1.548 1.00 . A A . 6 TYR CA 1 1 11 4284 1 1 6 TYR CB C 9.958 5.259 -2.808 1.00 . A A . 6 TYR CB 1 1 11 4285 1 1 6 TYR CD1 C 11.131 7.380 -2.086 1.00 . A A . 6 TYR CD1 1 1 11 4286 1 1 6 TYR CD2 C 8.985 7.544 -3.102 1.00 . A A . 6 TYR CD2 1 1 11 4287 1 1 6 TYR CE1 C 11.174 8.755 -1.953 1.00 . A A . 6 TYR CE1 1 1 11 4288 1 1 6 TYR CE2 C 9.020 8.907 -2.976 1.00 . A A . 6 TYR CE2 1 1 11 4289 1 1 6 TYR CG C 10.032 6.755 -2.661 1.00 . A A . 6 TYR CG 1 1 11 4290 1 1 6 TYR CZ C 10.114 9.510 -2.406 1.00 . A A . 6 TYR CZ 1 1 11 4291 1 1 6 TYR H H 11.465 4.529 -0.729 1.00 . A A . 6 TYR H 1 1 11 4292 1 1 6 TYR HA H 8.707 5.151 -1.098 1.00 . A A . 6 TYR HA 1 1 11 4293 1 1 6 TYR HB2 H 10.929 4.890 -3.094 1.00 . A A . 6 TYR HB2 1 1 11 4294 1 1 6 TYR HB3 H 9.259 5.049 -3.604 1.00 . A A . 6 TYR HB3 1 1 11 4295 1 1 6 TYR HD1 H 11.956 6.777 -1.736 1.00 . A A . 6 TYR HD1 1 1 11 4296 1 1 6 TYR HD2 H 8.124 7.069 -3.549 1.00 . A A . 6 TYR HD2 1 1 11 4297 1 1 6 TYR HE1 H 12.034 9.230 -1.502 1.00 . A A . 6 TYR HE1 1 1 11 4298 1 1 6 TYR HE2 H 8.190 9.498 -3.329 1.00 . A A . 6 TYR HE2 1 1 11 4299 1 1 6 TYR HH H 10.992 11.175 -2.616 1.00 . A A . 6 TYR HH 1 1 11 4300 1 1 6 TYR N N 10.511 4.480 -0.521 1.00 . A A . 6 TYR N 1 1 11 4301 1 1 6 TYR O O 7.810 3.122 -2.436 1.00 . A A . 6 TYR O 1 1 11 4302 1 1 6 TYR OH O 10.141 10.869 -2.276 1.00 . A A . 6 TYR OH 1 1 11 4303 1 1 7 ASN C C 7.953 0.589 -0.502 1.00 . A A . 7 ASN C 1 1 11 4304 1 1 7 ASN CA C 8.991 0.827 -1.582 1.00 . A A . 7 ASN CA 1 1 11 4305 1 1 7 ASN CB C 10.098 -0.235 -1.520 1.00 . A A . 7 ASN CB 1 1 11 4306 1 1 7 ASN CG C 9.569 -1.665 -1.404 1.00 . A A . 7 ASN CG 1 1 11 4307 1 1 7 ASN H H 10.398 2.299 -1.002 1.00 . A A . 7 ASN H 1 1 11 4308 1 1 7 ASN HA H 8.496 0.763 -2.539 1.00 . A A . 7 ASN HA 1 1 11 4309 1 1 7 ASN HB2 H 10.690 -0.169 -2.421 1.00 . A A . 7 ASN HB2 1 1 11 4310 1 1 7 ASN HB3 H 10.731 -0.028 -0.670 1.00 . A A . 7 ASN HB3 1 1 11 4311 1 1 7 ASN HD21 H 9.690 -1.979 -3.376 1.00 . A A . 7 ASN HD21 1 1 11 4312 1 1 7 ASN HD22 H 9.109 -3.281 -2.411 1.00 . A A . 7 ASN HD22 1 1 11 4313 1 1 7 ASN N N 9.540 2.158 -1.447 1.00 . A A . 7 ASN N 1 1 11 4314 1 1 7 ASN ND2 N 9.443 -2.359 -2.506 1.00 . A A . 7 ASN ND2 1 1 11 4315 1 1 7 ASN O O 6.800 0.384 -0.780 1.00 . A A . 7 ASN O 1 1 11 4316 1 1 7 ASN OD1 O 9.325 -2.147 -0.304 1.00 . A A . 7 ASN OD1 1 1 11 4317 1 1 8 MET C C 6.605 1.591 2.199 1.00 . A A . 8 MET C 1 1 11 4318 1 1 8 MET CA C 7.482 0.397 1.840 1.00 . A A . 8 MET CA 1 1 11 4319 1 1 8 MET CB C 8.196 -0.214 3.061 1.00 . A A . 8 MET CB 1 1 11 4320 1 1 8 MET CE C 6.189 -2.723 3.099 1.00 . A A . 8 MET CE 1 1 11 4321 1 1 8 MET CG C 7.307 -0.420 4.300 1.00 . A A . 8 MET CG 1 1 11 4322 1 1 8 MET H H 9.333 0.825 0.889 1.00 . A A . 8 MET H 1 1 11 4323 1 1 8 MET HA H 6.800 -0.348 1.458 1.00 . A A . 8 MET HA 1 1 11 4324 1 1 8 MET HB2 H 8.611 -1.169 2.780 1.00 . A A . 8 MET HB2 1 1 11 4325 1 1 8 MET HB3 H 9.013 0.435 3.338 1.00 . A A . 8 MET HB3 1 1 11 4326 1 1 8 MET HE1 H 5.286 -3.248 2.822 1.00 . A A . 8 MET HE1 1 1 11 4327 1 1 8 MET HE2 H 6.794 -3.342 3.744 1.00 . A A . 8 MET HE2 1 1 11 4328 1 1 8 MET HE3 H 6.741 -2.471 2.205 1.00 . A A . 8 MET HE3 1 1 11 4329 1 1 8 MET HG2 H 7.843 -1.028 5.013 1.00 . A A . 8 MET HG2 1 1 11 4330 1 1 8 MET HG3 H 7.119 0.550 4.736 1.00 . A A . 8 MET HG3 1 1 11 4331 1 1 8 MET N N 8.384 0.632 0.734 1.00 . A A . 8 MET N 1 1 11 4332 1 1 8 MET O O 5.407 1.528 2.052 1.00 . A A . 8 MET O 1 1 11 4333 1 1 8 MET SD S 5.709 -1.223 3.954 1.00 . A A . 8 MET SD 1 1 11 4334 1 1 9 GLY C C 5.586 4.496 2.094 1.00 . A A . 9 GLY C 1 1 11 4335 1 1 9 GLY CA C 6.487 3.842 3.112 1.00 . A A . 9 GLY CA 1 1 11 4336 1 1 9 GLY H H 8.200 2.764 2.498 1.00 . A A . 9 GLY H 1 1 11 4337 1 1 9 GLY HA2 H 5.876 3.512 3.939 1.00 . A A . 9 GLY HA2 1 1 11 4338 1 1 9 GLY HA3 H 7.193 4.569 3.482 1.00 . A A . 9 GLY HA3 1 1 11 4339 1 1 9 GLY N N 7.227 2.693 2.590 1.00 . A A . 9 GLY N 1 1 11 4340 1 1 9 GLY O O 4.438 4.854 2.401 1.00 . A A . 9 GLY O 1 1 11 4341 1 1 10 HIS C C 4.138 4.353 -0.561 1.00 . A A . 10 HIS C 1 1 11 4342 1 1 10 HIS CA C 5.303 5.256 -0.170 1.00 . A A . 10 HIS CA 1 1 11 4343 1 1 10 HIS CB C 6.198 5.576 -1.354 1.00 . A A . 10 HIS CB 1 1 11 4344 1 1 10 HIS CD2 C 5.234 6.061 -3.668 1.00 . A A . 10 HIS CD2 1 1 11 4345 1 1 10 HIS CE1 C 4.533 8.064 -3.294 1.00 . A A . 10 HIS CE1 1 1 11 4346 1 1 10 HIS CG C 5.547 6.374 -2.402 1.00 . A A . 10 HIS CG 1 1 11 4347 1 1 10 HIS H H 7.004 4.342 0.731 1.00 . A A . 10 HIS H 1 1 11 4348 1 1 10 HIS HA H 4.863 6.179 0.187 1.00 . A A . 10 HIS HA 1 1 11 4349 1 1 10 HIS HB2 H 7.015 6.181 -0.997 1.00 . A A . 10 HIS HB2 1 1 11 4350 1 1 10 HIS HB3 H 6.563 4.663 -1.800 1.00 . A A . 10 HIS HB3 1 1 11 4351 1 1 10 HIS HD1 H 5.216 8.159 -1.368 1.00 . A A . 10 HIS HD1 1 1 11 4352 1 1 10 HIS HD2 H 5.489 5.134 -4.160 1.00 . A A . 10 HIS HD2 1 1 11 4353 1 1 10 HIS HE1 H 4.071 9.033 -3.354 1.00 . A A . 10 HIS HE1 1 1 11 4354 1 1 10 HIS N N 6.081 4.646 0.889 1.00 . A A . 10 HIS N 1 1 11 4355 1 1 10 HIS ND1 N 5.105 7.641 -2.195 1.00 . A A . 10 HIS ND1 1 1 11 4356 1 1 10 HIS NE2 N 4.578 7.145 -4.240 1.00 . A A . 10 HIS NE2 1 1 11 4357 1 1 10 HIS O O 2.998 4.815 -0.672 1.00 . A A . 10 HIS O 1 1 11 4358 1 1 11 TYR C C 2.360 1.990 0.092 1.00 . A A . 11 TYR C 1 1 11 4359 1 1 11 TYR CA C 3.331 2.130 -1.037 1.00 . A A . 11 TYR CA 1 1 11 4360 1 1 11 TYR CB C 3.826 0.768 -1.470 1.00 . A A . 11 TYR CB 1 1 11 4361 1 1 11 TYR CD1 C 5.415 1.244 -3.360 1.00 . A A . 11 TYR CD1 1 1 11 4362 1 1 11 TYR CD2 C 3.434 0.024 -3.827 1.00 . A A . 11 TYR CD2 1 1 11 4363 1 1 11 TYR CE1 C 5.794 1.146 -4.674 1.00 . A A . 11 TYR CE1 1 1 11 4364 1 1 11 TYR CE2 C 3.802 -0.078 -5.153 1.00 . A A . 11 TYR CE2 1 1 11 4365 1 1 11 TYR CG C 4.236 0.686 -2.914 1.00 . A A . 11 TYR CG 1 1 11 4366 1 1 11 TYR CZ C 4.988 0.486 -5.571 1.00 . A A . 11 TYR CZ 1 1 11 4367 1 1 11 TYR H H 5.315 2.724 -0.613 1.00 . A A . 11 TYR H 1 1 11 4368 1 1 11 TYR HA H 2.791 2.572 -1.862 1.00 . A A . 11 TYR HA 1 1 11 4369 1 1 11 TYR HB2 H 4.680 0.509 -0.864 1.00 . A A . 11 TYR HB2 1 1 11 4370 1 1 11 TYR HB3 H 3.043 0.045 -1.300 1.00 . A A . 11 TYR HB3 1 1 11 4371 1 1 11 TYR HD1 H 6.047 1.760 -2.652 1.00 . A A . 11 TYR HD1 1 1 11 4372 1 1 11 TYR HD2 H 2.506 -0.405 -3.475 1.00 . A A . 11 TYR HD2 1 1 11 4373 1 1 11 TYR HE1 H 6.721 1.593 -5.001 1.00 . A A . 11 TYR HE1 1 1 11 4374 1 1 11 TYR HE2 H 3.164 -0.599 -5.851 1.00 . A A . 11 TYR HE2 1 1 11 4375 1 1 11 TYR HH H 4.613 0.473 -7.452 1.00 . A A . 11 TYR HH 1 1 11 4376 1 1 11 TYR N N 4.400 3.062 -0.718 1.00 . A A . 11 TYR N 1 1 11 4377 1 1 11 TYR O O 1.190 1.919 -0.152 1.00 . A A . 11 TYR O 1 1 11 4378 1 1 11 TYR OH O 5.384 0.372 -6.880 1.00 . A A . 11 TYR OH 1 1 11 4379 1 1 12 ALA C C 0.955 2.984 2.504 1.00 . A A . 12 ALA C 1 1 11 4380 1 1 12 ALA CA C 1.987 1.885 2.509 1.00 . A A . 12 ALA CA 1 1 11 4381 1 1 12 ALA CB C 2.807 1.943 3.791 1.00 . A A . 12 ALA CB 1 1 11 4382 1 1 12 ALA H H 3.821 2.029 1.463 1.00 . A A . 12 ALA H 1 1 11 4383 1 1 12 ALA HA H 1.476 0.933 2.466 1.00 . A A . 12 ALA HA 1 1 11 4384 1 1 12 ALA HB1 H 3.308 2.898 3.857 1.00 . A A . 12 ALA HB1 1 1 11 4385 1 1 12 ALA HB2 H 3.544 1.154 3.779 1.00 . A A . 12 ALA HB2 1 1 11 4386 1 1 12 ALA HB3 H 2.153 1.817 4.641 1.00 . A A . 12 ALA HB3 1 1 11 4387 1 1 12 ALA N N 2.847 1.990 1.328 1.00 . A A . 12 ALA N 1 1 11 4388 1 1 12 ALA O O -0.222 2.737 2.748 1.00 . A A . 12 ALA O 1 1 11 4389 1 1 13 GLY C C -0.546 5.094 1.007 1.00 . A A . 13 GLY C 1 1 11 4390 1 1 13 GLY CA C 0.506 5.301 2.076 1.00 . A A . 13 GLY CA 1 1 11 4391 1 1 13 GLY H H 2.358 4.296 2.001 1.00 . A A . 13 GLY H 1 1 11 4392 1 1 13 GLY HA2 H 0.018 5.455 3.026 1.00 . A A . 13 GLY HA2 1 1 11 4393 1 1 13 GLY HA3 H 1.074 6.185 1.830 1.00 . A A . 13 GLY HA3 1 1 11 4394 1 1 13 GLY N N 1.398 4.184 2.169 1.00 . A A . 13 GLY N 1 1 11 4395 1 1 13 GLY O O -1.741 5.211 1.268 1.00 . A A . 13 GLY O 1 1 11 4396 1 1 14 LYS C C -1.919 3.333 -1.155 1.00 . A A . 14 LYS C 1 1 11 4397 1 1 14 LYS CA C -1.032 4.554 -1.300 1.00 . A A . 14 LYS CA 1 1 11 4398 1 1 14 LYS CB C -0.335 4.543 -2.687 1.00 . A A . 14 LYS CB 1 1 11 4399 1 1 14 LYS CD C 1.366 6.533 -2.717 1.00 . A A . 14 LYS CD 1 1 11 4400 1 1 14 LYS CE C 1.173 7.210 -1.363 1.00 . A A . 14 LYS CE 1 1 11 4401 1 1 14 LYS CG C 0.091 5.907 -3.309 1.00 . A A . 14 LYS CG 1 1 11 4402 1 1 14 LYS H H 0.833 4.434 -0.259 1.00 . A A . 14 LYS H 1 1 11 4403 1 1 14 LYS HA H -1.675 5.421 -1.249 1.00 . A A . 14 LYS HA 1 1 11 4404 1 1 14 LYS HB2 H 0.564 3.952 -2.596 1.00 . A A . 14 LYS HB2 1 1 11 4405 1 1 14 LYS HB3 H -0.993 4.045 -3.384 1.00 . A A . 14 LYS HB3 1 1 11 4406 1 1 14 LYS HD2 H 2.095 5.744 -2.597 1.00 . A A . 14 LYS HD2 1 1 11 4407 1 1 14 LYS HD3 H 1.750 7.253 -3.426 1.00 . A A . 14 LYS HD3 1 1 11 4408 1 1 14 LYS HE2 H 0.759 6.495 -0.668 1.00 . A A . 14 LYS HE2 1 1 11 4409 1 1 14 LYS HE3 H 2.139 7.530 -1.003 1.00 . A A . 14 LYS HE3 1 1 11 4410 1 1 14 LYS HG2 H 0.269 5.757 -4.364 1.00 . A A . 14 LYS HG2 1 1 11 4411 1 1 14 LYS HG3 H -0.731 6.599 -3.190 1.00 . A A . 14 LYS HG3 1 1 11 4412 1 1 14 LYS HZ1 H -0.643 8.119 -1.823 1.00 . A A . 14 LYS HZ1 1 1 11 4413 1 1 14 LYS HZ2 H 0.695 9.145 -1.976 1.00 . A A . 14 LYS HZ2 1 1 11 4414 1 1 14 LYS HZ3 H 0.120 8.738 -0.471 1.00 . A A . 14 LYS HZ3 1 1 11 4415 1 1 14 LYS N N -0.112 4.690 -0.178 1.00 . A A . 14 LYS N 1 1 11 4416 1 1 14 LYS NZ N 0.283 8.363 -1.427 1.00 . A A . 14 LYS NZ 1 1 11 4417 1 1 14 LYS O O -3.095 3.377 -1.483 1.00 . A A . 14 LYS O 1 1 11 4418 1 1 15 ALA C C -3.136 1.140 0.592 1.00 . A A . 15 ALA C 1 1 11 4419 1 1 15 ALA CA C -2.076 1.021 -0.470 1.00 . A A . 15 ALA CA 1 1 11 4420 1 1 15 ALA CB C -1.137 -0.141 -0.158 1.00 . A A . 15 ALA CB 1 1 11 4421 1 1 15 ALA H H -0.415 2.300 -0.355 1.00 . A A . 15 ALA H 1 1 11 4422 1 1 15 ALA HA H -2.550 0.823 -1.418 1.00 . A A . 15 ALA HA 1 1 11 4423 1 1 15 ALA HB1 H -0.636 0.029 0.785 1.00 . A A . 15 ALA HB1 1 1 11 4424 1 1 15 ALA HB2 H -0.396 -0.242 -0.939 1.00 . A A . 15 ALA HB2 1 1 11 4425 1 1 15 ALA HB3 H -1.726 -1.044 -0.089 1.00 . A A . 15 ALA HB3 1 1 11 4426 1 1 15 ALA N N -1.358 2.263 -0.635 1.00 . A A . 15 ALA N 1 1 11 4427 1 1 15 ALA O O -4.180 0.545 0.479 1.00 . A A . 15 ALA O 1 1 11 4428 1 1 16 THR C C -4.998 2.983 2.206 1.00 . A A . 16 THR C 1 1 11 4429 1 1 16 THR CA C -3.852 2.068 2.656 1.00 . A A . 16 THR CA 1 1 11 4430 1 1 16 THR CB C -3.229 2.563 3.971 1.00 . A A . 16 THR CB 1 1 11 4431 1 1 16 THR CG2 C -4.235 2.449 5.099 1.00 . A A . 16 THR CG2 1 1 11 4432 1 1 16 THR H H -2.013 2.370 1.656 1.00 . A A . 16 THR H 1 1 11 4433 1 1 16 THR HA H -4.281 1.090 2.826 1.00 . A A . 16 THR HA 1 1 11 4434 1 1 16 THR HB H -2.928 3.594 3.854 1.00 . A A . 16 THR HB 1 1 11 4435 1 1 16 THR HG1 H -1.364 2.031 3.761 1.00 . A A . 16 THR HG1 1 1 11 4436 1 1 16 THR HG21 H -3.801 2.795 6.027 1.00 . A A . 16 THR HG21 1 1 11 4437 1 1 16 THR HG22 H -4.513 1.407 5.190 1.00 . A A . 16 THR HG22 1 1 11 4438 1 1 16 THR HG23 H -5.113 3.030 4.858 1.00 . A A . 16 THR HG23 1 1 11 4439 1 1 16 THR N N -2.877 1.909 1.611 1.00 . A A . 16 THR N 1 1 11 4440 1 1 16 THR O O -6.155 2.759 2.551 1.00 . A A . 16 THR O 1 1 11 4441 1 1 16 THR OG1 O -2.111 1.721 4.292 1.00 . A A . 16 THR OG1 1 1 11 4442 1 1 17 ILE C C -6.506 4.200 -0.227 1.00 . A A . 17 ILE C 1 1 11 4443 1 1 17 ILE CA C -5.768 4.841 0.962 1.00 . A A . 17 ILE CA 1 1 11 4444 1 1 17 ILE CB C -5.352 6.325 0.677 1.00 . A A . 17 ILE CB 1 1 11 4445 1 1 17 ILE CD1 C -6.278 8.597 -0.098 1.00 . A A . 17 ILE CD1 1 1 11 4446 1 1 17 ILE CG1 C -6.565 7.139 0.194 1.00 . A A . 17 ILE CG1 1 1 11 4447 1 1 17 ILE CG2 C -4.197 6.419 -0.313 1.00 . A A . 17 ILE CG2 1 1 11 4448 1 1 17 ILE H H -3.761 4.220 1.236 1.00 . A A . 17 ILE H 1 1 11 4449 1 1 17 ILE HA H -6.499 4.846 1.758 1.00 . A A . 17 ILE HA 1 1 11 4450 1 1 17 ILE HB H -5.013 6.740 1.615 1.00 . A A . 17 ILE HB 1 1 11 4451 1 1 17 ILE HD11 H -5.893 9.080 0.786 1.00 . A A . 17 ILE HD11 1 1 11 4452 1 1 17 ILE HD12 H -7.194 9.084 -0.395 1.00 . A A . 17 ILE HD12 1 1 11 4453 1 1 17 ILE HD13 H -5.554 8.670 -0.895 1.00 . A A . 17 ILE HD13 1 1 11 4454 1 1 17 ILE HG12 H -6.937 6.693 -0.716 1.00 . A A . 17 ILE HG12 1 1 11 4455 1 1 17 ILE HG13 H -7.333 7.093 0.950 1.00 . A A . 17 ILE HG13 1 1 11 4456 1 1 17 ILE HG21 H -4.490 5.977 -1.254 1.00 . A A . 17 ILE HG21 1 1 11 4457 1 1 17 ILE HG22 H -3.344 5.890 0.083 1.00 . A A . 17 ILE HG22 1 1 11 4458 1 1 17 ILE HG23 H -3.942 7.457 -0.467 1.00 . A A . 17 ILE HG23 1 1 11 4459 1 1 17 ILE N N -4.697 4.015 1.447 1.00 . A A . 17 ILE N 1 1 11 4460 1 1 17 ILE O O -7.702 4.019 -0.173 1.00 . A A . 17 ILE O 1 1 11 4461 1 1 18 PHE C C -6.732 1.808 -2.330 1.00 . A A . 18 PHE C 1 1 11 4462 1 1 18 PHE CA C -6.390 3.282 -2.464 1.00 . A A . 18 PHE CA 1 1 11 4463 1 1 18 PHE CB C -5.535 3.547 -3.685 1.00 . A A . 18 PHE CB 1 1 11 4464 1 1 18 PHE CD1 C -6.436 5.815 -4.208 1.00 . A A . 18 PHE CD1 1 1 11 4465 1 1 18 PHE CD2 C -4.091 5.571 -3.925 1.00 . A A . 18 PHE CD2 1 1 11 4466 1 1 18 PHE CE1 C -6.276 7.166 -4.453 1.00 . A A . 18 PHE CE1 1 1 11 4467 1 1 18 PHE CE2 C -3.918 6.919 -4.168 1.00 . A A . 18 PHE CE2 1 1 11 4468 1 1 18 PHE CG C -5.348 5.008 -3.943 1.00 . A A . 18 PHE CG 1 1 11 4469 1 1 18 PHE CZ C -5.014 7.719 -4.431 1.00 . A A . 18 PHE CZ 1 1 11 4470 1 1 18 PHE H H -4.806 3.929 -1.235 1.00 . A A . 18 PHE H 1 1 11 4471 1 1 18 PHE HA H -7.320 3.816 -2.594 1.00 . A A . 18 PHE HA 1 1 11 4472 1 1 18 PHE HB2 H -4.563 3.102 -3.532 1.00 . A A . 18 PHE HB2 1 1 11 4473 1 1 18 PHE HB3 H -6.020 3.107 -4.542 1.00 . A A . 18 PHE HB3 1 1 11 4474 1 1 18 PHE HD1 H -7.420 5.369 -4.215 1.00 . A A . 18 PHE HD1 1 1 11 4475 1 1 18 PHE HD2 H -3.245 4.935 -3.713 1.00 . A A . 18 PHE HD2 1 1 11 4476 1 1 18 PHE HE1 H -7.136 7.786 -4.660 1.00 . A A . 18 PHE HE1 1 1 11 4477 1 1 18 PHE HE2 H -2.928 7.344 -4.148 1.00 . A A . 18 PHE HE2 1 1 11 4478 1 1 18 PHE HZ H -4.882 8.774 -4.621 1.00 . A A . 18 PHE HZ 1 1 11 4479 1 1 18 PHE N N -5.786 3.848 -1.269 1.00 . A A . 18 PHE N 1 1 11 4480 1 1 18 PHE O O -7.897 1.418 -2.419 1.00 . A A . 18 PHE O 1 1 11 4481 1 1 19 GLY C C -6.817 -0.889 -0.973 1.00 . A A . 19 GLY C 1 1 11 4482 1 1 19 GLY CA C -5.839 -0.452 -2.030 1.00 . A A . 19 GLY CA 1 1 11 4483 1 1 19 GLY H H -4.801 1.385 -2.068 1.00 . A A . 19 GLY H 1 1 11 4484 1 1 19 GLY HA2 H -6.159 -0.851 -2.980 1.00 . A A . 19 GLY HA2 1 1 11 4485 1 1 19 GLY HA3 H -4.875 -0.872 -1.785 1.00 . A A . 19 GLY HA3 1 1 11 4486 1 1 19 GLY N N -5.701 0.997 -2.126 1.00 . A A . 19 GLY N 1 1 11 4487 1 1 19 GLY O O -7.672 -1.739 -1.218 1.00 . A A . 19 GLY O 1 1 11 4488 1 1 20 LEU C C -8.991 -0.180 0.998 1.00 . A A . 20 LEU C 1 1 11 4489 1 1 20 LEU CA C -7.571 -0.660 1.282 1.00 . A A . 20 LEU CA 1 1 11 4490 1 1 20 LEU CB C -7.099 -0.080 2.587 1.00 . A A . 20 LEU CB 1 1 11 4491 1 1 20 LEU CD1 C -6.172 -2.014 3.827 1.00 . A A . 20 LEU CD1 1 1 11 4492 1 1 20 LEU CD2 C -7.343 -0.184 5.062 1.00 . A A . 20 LEU CD2 1 1 11 4493 1 1 20 LEU CG C -7.278 -0.980 3.785 1.00 . A A . 20 LEU CG 1 1 11 4494 1 1 20 LEU H H -5.925 0.285 0.342 1.00 . A A . 20 LEU H 1 1 11 4495 1 1 20 LEU HA H -7.592 -1.736 1.365 1.00 . A A . 20 LEU HA 1 1 11 4496 1 1 20 LEU HB2 H -6.050 0.148 2.483 1.00 . A A . 20 LEU HB2 1 1 11 4497 1 1 20 LEU HB3 H -7.635 0.838 2.769 1.00 . A A . 20 LEU HB3 1 1 11 4498 1 1 20 LEU HD11 H -5.227 -1.501 3.945 1.00 . A A . 20 LEU HD11 1 1 11 4499 1 1 20 LEU HD12 H -6.165 -2.560 2.895 1.00 . A A . 20 LEU HD12 1 1 11 4500 1 1 20 LEU HD13 H -6.324 -2.696 4.650 1.00 . A A . 20 LEU HD13 1 1 11 4501 1 1 20 LEU HD21 H -7.468 -0.873 5.884 1.00 . A A . 20 LEU HD21 1 1 11 4502 1 1 20 LEU HD22 H -8.197 0.472 5.001 1.00 . A A . 20 LEU HD22 1 1 11 4503 1 1 20 LEU HD23 H -6.437 0.390 5.189 1.00 . A A . 20 LEU HD23 1 1 11 4504 1 1 20 LEU HG H -8.211 -1.510 3.659 1.00 . A A . 20 LEU HG 1 1 11 4505 1 1 20 LEU N N -6.688 -0.326 0.199 1.00 . A A . 20 LEU N 1 1 11 4506 1 1 20 LEU O O -9.945 -0.814 1.422 1.00 . A A . 20 LEU O 1 1 11 4507 1 1 21 ALA C C -11.156 0.472 -1.035 1.00 . A A . 21 ALA C 1 1 11 4508 1 1 21 ALA CA C -10.461 1.439 -0.111 1.00 . A A . 21 ALA CA 1 1 11 4509 1 1 21 ALA CB C -10.374 2.794 -0.769 1.00 . A A . 21 ALA CB 1 1 11 4510 1 1 21 ALA H H -8.358 1.412 -0.102 1.00 . A A . 21 ALA H 1 1 11 4511 1 1 21 ALA HA H -11.040 1.528 0.798 1.00 . A A . 21 ALA HA 1 1 11 4512 1 1 21 ALA HB1 H -11.365 3.157 -0.998 1.00 . A A . 21 ALA HB1 1 1 11 4513 1 1 21 ALA HB2 H -9.797 2.704 -1.678 1.00 . A A . 21 ALA HB2 1 1 11 4514 1 1 21 ALA HB3 H -9.875 3.488 -0.110 1.00 . A A . 21 ALA HB3 1 1 11 4515 1 1 21 ALA N N -9.139 0.927 0.246 1.00 . A A . 21 ALA N 1 1 11 4516 1 1 21 ALA O O -12.371 0.413 -1.084 1.00 . A A . 21 ALA O 1 1 11 4517 1 1 22 ALA C C -11.553 -2.404 -1.822 1.00 . A A . 22 ALA C 1 1 11 4518 1 1 22 ALA CA C -10.909 -1.299 -2.639 1.00 . A A . 22 ALA CA 1 1 11 4519 1 1 22 ALA CB C -9.839 -1.862 -3.554 1.00 . A A . 22 ALA CB 1 1 11 4520 1 1 22 ALA H H -9.405 -0.164 -1.703 1.00 . A A . 22 ALA H 1 1 11 4521 1 1 22 ALA HA H -11.668 -0.824 -3.242 1.00 . A A . 22 ALA HA 1 1 11 4522 1 1 22 ALA HB1 H -9.387 -1.057 -4.111 1.00 . A A . 22 ALA HB1 1 1 11 4523 1 1 22 ALA HB2 H -10.294 -2.563 -4.238 1.00 . A A . 22 ALA HB2 1 1 11 4524 1 1 22 ALA HB3 H -9.085 -2.370 -2.971 1.00 . A A . 22 ALA HB3 1 1 11 4525 1 1 22 ALA N N -10.376 -0.292 -1.763 1.00 . A A . 22 ALA N 1 1 11 4526 1 1 22 ALA O O -12.497 -3.031 -2.251 1.00 . A A . 22 ALA O 1 1 11 4527 1 1 23 TRP C C -12.619 -3.125 1.148 1.00 . A A . 23 TRP C 1 1 11 4528 1 1 23 TRP CA C -11.555 -3.671 0.199 1.00 . A A . 23 TRP CA 1 1 11 4529 1 1 23 TRP CB C -10.452 -4.406 0.944 1.00 . A A . 23 TRP CB 1 1 11 4530 1 1 23 TRP CD1 C -10.641 -6.772 1.898 1.00 . A A . 23 TRP CD1 1 1 11 4531 1 1 23 TRP CD2 C -10.988 -6.635 -0.312 1.00 . A A . 23 TRP CD2 1 1 11 4532 1 1 23 TRP CE2 C -11.136 -7.971 0.073 1.00 . A A . 23 TRP CE2 1 1 11 4533 1 1 23 TRP CE3 C -11.164 -6.297 -1.666 1.00 . A A . 23 TRP CE3 1 1 11 4534 1 1 23 TRP CG C -10.660 -5.883 0.872 1.00 . A A . 23 TRP CG 1 1 11 4535 1 1 23 TRP CH2 C -11.628 -8.607 -2.152 1.00 . A A . 23 TRP CH2 1 1 11 4536 1 1 23 TRP CZ2 C -11.455 -8.974 -0.840 1.00 . A A . 23 TRP CZ2 1 1 11 4537 1 1 23 TRP CZ3 C -11.482 -7.280 -2.566 1.00 . A A . 23 TRP CZ3 1 1 11 4538 1 1 23 TRP H H -10.246 -2.117 -0.354 1.00 . A A . 23 TRP H 1 1 11 4539 1 1 23 TRP HA H -12.056 -4.379 -0.446 1.00 . A A . 23 TRP HA 1 1 11 4540 1 1 23 TRP HB2 H -9.474 -4.126 0.578 1.00 . A A . 23 TRP HB2 1 1 11 4541 1 1 23 TRP HB3 H -10.509 -4.118 1.982 1.00 . A A . 23 TRP HB3 1 1 11 4542 1 1 23 TRP HD1 H -10.426 -6.507 2.922 1.00 . A A . 23 TRP HD1 1 1 11 4543 1 1 23 TRP HE1 H -10.958 -8.857 1.965 1.00 . A A . 23 TRP HE1 1 1 11 4544 1 1 23 TRP HE3 H -11.053 -5.279 -2.012 1.00 . A A . 23 TRP HE3 1 1 11 4545 1 1 23 TRP HH2 H -11.880 -9.348 -2.894 1.00 . A A . 23 TRP HH2 1 1 11 4546 1 1 23 TRP HZ2 H -11.574 -10.004 -0.541 1.00 . A A . 23 TRP HZ2 1 1 11 4547 1 1 23 TRP HZ3 H -11.624 -7.011 -3.602 1.00 . A A . 23 TRP HZ3 1 1 11 4548 1 1 23 TRP N N -11.015 -2.649 -0.651 1.00 . A A . 23 TRP N 1 1 11 4549 1 1 23 TRP NE1 N -10.917 -8.035 1.425 1.00 . A A . 23 TRP NE1 1 1 11 4550 1 1 23 TRP O O -13.595 -3.781 1.437 1.00 . A A . 23 TRP O 1 1 11 4551 1 1 24 ALA C C -14.522 -0.704 1.809 1.00 . A A . 24 ALA C 1 1 11 4552 1 1 24 ALA CA C -13.324 -1.316 2.562 1.00 . A A . 24 ALA CA 1 1 11 4553 1 1 24 ALA CB C -12.618 -0.266 3.414 1.00 . A A . 24 ALA CB 1 1 11 4554 1 1 24 ALA H H -11.534 -1.503 1.458 1.00 . A A . 24 ALA H 1 1 11 4555 1 1 24 ALA HA H -13.691 -2.086 3.224 1.00 . A A . 24 ALA HA 1 1 11 4556 1 1 24 ALA HB1 H -11.788 -0.720 3.935 1.00 . A A . 24 ALA HB1 1 1 11 4557 1 1 24 ALA HB2 H -13.302 0.147 4.140 1.00 . A A . 24 ALA HB2 1 1 11 4558 1 1 24 ALA HB3 H -12.246 0.519 2.773 1.00 . A A . 24 ALA HB3 1 1 11 4559 1 1 24 ALA N N -12.382 -1.953 1.672 1.00 . A A . 24 ALA N 1 1 11 4560 1 1 24 ALA O O -15.653 -1.070 2.029 1.00 . A A . 24 ALA O 1 1 11 4561 1 1 25 LEU C C -15.834 0.267 -1.010 1.00 . A A . 25 LEU C 1 1 11 4562 1 1 25 LEU CA C -15.259 0.993 0.222 1.00 . A A . 25 LEU CA 1 1 11 4563 1 1 25 LEU CB C -14.740 2.397 -0.191 1.00 . A A . 25 LEU CB 1 1 11 4564 1 1 25 LEU CD1 C -13.413 3.090 1.886 1.00 . A A . 25 LEU CD1 1 1 11 4565 1 1 25 LEU CD2 C -14.262 4.821 0.309 1.00 . A A . 25 LEU CD2 1 1 11 4566 1 1 25 LEU CG C -14.530 3.459 0.924 1.00 . A A . 25 LEU CG 1 1 11 4567 1 1 25 LEU H H -13.299 0.424 0.723 1.00 . A A . 25 LEU H 1 1 11 4568 1 1 25 LEU HA H -16.067 1.145 0.922 1.00 . A A . 25 LEU HA 1 1 11 4569 1 1 25 LEU HB2 H -13.784 2.257 -0.676 1.00 . A A . 25 LEU HB2 1 1 11 4570 1 1 25 LEU HB3 H -15.428 2.801 -0.918 1.00 . A A . 25 LEU HB3 1 1 11 4571 1 1 25 LEU HD11 H -13.644 2.148 2.360 1.00 . A A . 25 LEU HD11 1 1 11 4572 1 1 25 LEU HD12 H -13.323 3.859 2.639 1.00 . A A . 25 LEU HD12 1 1 11 4573 1 1 25 LEU HD13 H -12.482 3.006 1.347 1.00 . A A . 25 LEU HD13 1 1 11 4574 1 1 25 LEU HD21 H -13.379 4.770 -0.311 1.00 . A A . 25 LEU HD21 1 1 11 4575 1 1 25 LEU HD22 H -14.105 5.548 1.092 1.00 . A A . 25 LEU HD22 1 1 11 4576 1 1 25 LEU HD23 H -15.110 5.109 -0.292 1.00 . A A . 25 LEU HD23 1 1 11 4577 1 1 25 LEU HG H -15.444 3.538 1.494 1.00 . A A . 25 LEU HG 1 1 11 4578 1 1 25 LEU N N -14.236 0.235 0.936 1.00 . A A . 25 LEU N 1 1 11 4579 1 1 25 LEU O O -16.988 0.471 -1.370 1.00 . A A . 25 LEU O 1 1 11 4580 1 1 26 LEU C C -15.940 -2.575 -2.764 1.00 . A A . 26 LEU C 1 1 11 4581 1 1 26 LEU CA C -15.426 -1.153 -2.926 1.00 . A A . 26 LEU CA 1 1 11 4582 1 1 26 LEU CB C -14.241 -1.129 -3.890 1.00 . A A . 26 LEU CB 1 1 11 4583 1 1 26 LEU CD1 C -15.330 -0.971 -6.155 1.00 . A A . 26 LEU CD1 1 1 11 4584 1 1 26 LEU CD2 C -13.098 -2.113 -5.908 1.00 . A A . 26 LEU CD2 1 1 11 4585 1 1 26 LEU CG C -14.435 -1.793 -5.253 1.00 . A A . 26 LEU CG 1 1 11 4586 1 1 26 LEU H H -14.131 -0.725 -1.311 1.00 . A A . 26 LEU H 1 1 11 4587 1 1 26 LEU HA H -16.212 -0.554 -3.349 1.00 . A A . 26 LEU HA 1 1 11 4588 1 1 26 LEU HB2 H -13.943 -0.102 -4.043 1.00 . A A . 26 LEU HB2 1 1 11 4589 1 1 26 LEU HB3 H -13.437 -1.643 -3.387 1.00 . A A . 26 LEU HB3 1 1 11 4590 1 1 26 LEU HD11 H -15.444 -1.476 -7.103 1.00 . A A . 26 LEU HD11 1 1 11 4591 1 1 26 LEU HD12 H -14.890 0.002 -6.320 1.00 . A A . 26 LEU HD12 1 1 11 4592 1 1 26 LEU HD13 H -16.298 -0.860 -5.690 1.00 . A A . 26 LEU HD13 1 1 11 4593 1 1 26 LEU HD21 H -13.271 -2.551 -6.879 1.00 . A A . 26 LEU HD21 1 1 11 4594 1 1 26 LEU HD22 H -12.570 -2.829 -5.293 1.00 . A A . 26 LEU HD22 1 1 11 4595 1 1 26 LEU HD23 H -12.511 -1.212 -6.007 1.00 . A A . 26 LEU HD23 1 1 11 4596 1 1 26 LEU HG H -14.941 -2.726 -5.058 1.00 . A A . 26 LEU HG 1 1 11 4597 1 1 26 LEU N N -15.026 -0.540 -1.664 1.00 . A A . 26 LEU N 1 1 11 4598 1 1 26 LEU O O -16.617 -3.101 -3.646 1.00 . A A . 26 LEU O 1 1 11 4599 1 1 27 ALA C C -17.092 -4.755 -0.431 1.00 . A A . 27 ALA C 1 1 11 4600 1 1 27 ALA CA C -15.996 -4.562 -1.474 1.00 . A A . 27 ALA CA 1 1 11 4601 1 1 27 ALA CB C -14.755 -5.371 -1.145 1.00 . A A . 27 ALA CB 1 1 11 4602 1 1 27 ALA H H -15.213 -2.654 -0.966 1.00 . A A . 27 ALA H 1 1 11 4603 1 1 27 ALA HA H -16.381 -4.926 -2.415 1.00 . A A . 27 ALA HA 1 1 11 4604 1 1 27 ALA HB1 H -13.980 -5.146 -1.862 1.00 . A A . 27 ALA HB1 1 1 11 4605 1 1 27 ALA HB2 H -14.981 -6.425 -1.191 1.00 . A A . 27 ALA HB2 1 1 11 4606 1 1 27 ALA HB3 H -14.411 -5.113 -0.154 1.00 . A A . 27 ALA HB3 1 1 11 4607 1 1 27 ALA N N -15.648 -3.172 -1.670 1.00 . A A . 27 ALA N 1 1 11 4608 1 1 27 ALA O O -16.770 -4.998 0.738 1.00 . A A . 27 ALA O 1 1 11 4609 1 1 27 ALA OXT O -18.278 -4.665 -0.793 1.00 . A A . 27 ALA OXT 1 1 12 4610 1 1 1 ARG C C -13.557 -6.822 2.720 1.00 . A A . 1 ARG C 1 1 12 4611 1 1 1 ARG CA C -12.517 -7.911 2.831 1.00 . A A . 1 ARG CA 1 1 12 4612 1 1 1 ARG CB C -13.190 -9.266 3.046 1.00 . A A . 1 ARG CB 1 1 12 4613 1 1 1 ARG CD C -12.985 -11.710 3.427 1.00 . A A . 1 ARG CD 1 1 12 4614 1 1 1 ARG CG C -12.239 -10.442 3.065 1.00 . A A . 1 ARG CG 1 1 12 4615 1 1 1 ARG CZ C -14.696 -12.068 5.210 1.00 . A A . 1 ARG CZ 1 1 12 4616 1 1 1 ARG H1 H -10.867 -8.317 4.020 1.00 . A A . 1 ARG H1 1 1 12 4617 1 1 1 ARG H2 H -12.106 -7.481 4.815 1.00 . A A . 1 ARG H2 1 1 12 4618 1 1 1 ARG H3 H -11.135 -6.684 3.705 1.00 . A A . 1 ARG H3 1 1 12 4619 1 1 1 ARG HA H -11.948 -7.939 1.913 1.00 . A A . 1 ARG HA 1 1 12 4620 1 1 1 ARG HB2 H -13.714 -9.256 3.988 1.00 . A A . 1 ARG HB2 1 1 12 4621 1 1 1 ARG HB3 H -13.906 -9.430 2.255 1.00 . A A . 1 ARG HB3 1 1 12 4622 1 1 1 ARG HD2 H -13.833 -11.809 2.767 1.00 . A A . 1 ARG HD2 1 1 12 4623 1 1 1 ARG HD3 H -12.332 -12.561 3.305 1.00 . A A . 1 ARG HD3 1 1 12 4624 1 1 1 ARG HE H -12.838 -11.349 5.483 1.00 . A A . 1 ARG HE 1 1 12 4625 1 1 1 ARG HG2 H -11.788 -10.555 2.091 1.00 . A A . 1 ARG HG2 1 1 12 4626 1 1 1 ARG HG3 H -11.479 -10.257 3.810 1.00 . A A . 1 ARG HG3 1 1 12 4627 1 1 1 ARG HH11 H -15.440 -12.456 3.347 1.00 . A A . 1 ARG HH11 1 1 12 4628 1 1 1 ARG HH12 H -16.525 -12.741 4.628 1.00 . A A . 1 ARG HH12 1 1 12 4629 1 1 1 ARG HH21 H -14.269 -11.799 7.159 1.00 . A A . 1 ARG HH21 1 1 12 4630 1 1 1 ARG HH22 H -15.859 -12.331 6.903 1.00 . A A . 1 ARG HH22 1 1 12 4631 1 1 1 ARG N N -11.599 -7.592 3.914 1.00 . A A . 1 ARG N 1 1 12 4632 1 1 1 ARG NE N -13.480 -11.669 4.806 1.00 . A A . 1 ARG NE 1 1 12 4633 1 1 1 ARG NH1 N -15.610 -12.446 4.336 1.00 . A A . 1 ARG NH1 1 1 12 4634 1 1 1 ARG NH2 N -14.974 -12.076 6.501 1.00 . A A . 1 ARG NH2 1 1 12 4635 1 1 1 ARG O O -14.634 -6.902 3.333 1.00 . A A . 1 ARG O 1 1 12 4636 1 1 2 ASN C C -13.652 -3.905 0.572 1.00 . A A . 2 ASN C 1 1 12 4637 1 1 2 ASN CA C -14.116 -4.660 1.806 1.00 . A A . 2 ASN CA 1 1 12 4638 1 1 2 ASN CB C -14.115 -3.746 3.057 1.00 . A A . 2 ASN CB 1 1 12 4639 1 1 2 ASN CG C -15.152 -2.625 3.034 1.00 . A A . 2 ASN CG 1 1 12 4640 1 1 2 ASN H H -12.324 -5.715 1.607 1.00 . A A . 2 ASN H 1 1 12 4641 1 1 2 ASN HA H -15.108 -5.047 1.640 1.00 . A A . 2 ASN HA 1 1 12 4642 1 1 2 ASN HB2 H -14.300 -4.352 3.933 1.00 . A A . 2 ASN HB2 1 1 12 4643 1 1 2 ASN HB3 H -13.134 -3.302 3.152 1.00 . A A . 2 ASN HB3 1 1 12 4644 1 1 2 ASN HD21 H -15.390 -2.801 4.989 1.00 . A A . 2 ASN HD21 1 1 12 4645 1 1 2 ASN HD22 H -16.325 -1.569 4.242 1.00 . A A . 2 ASN HD22 1 1 12 4646 1 1 2 ASN N N -13.219 -5.772 2.013 1.00 . A A . 2 ASN N 1 1 12 4647 1 1 2 ASN ND2 N -15.676 -2.305 4.190 1.00 . A A . 2 ASN ND2 1 1 12 4648 1 1 2 ASN O O -12.505 -3.491 0.485 1.00 . A A . 2 ASN O 1 1 12 4649 1 1 2 ASN OD1 O -15.504 -2.079 1.999 1.00 . A A . 2 ASN OD1 1 1 12 4650 1 1 3 LYS C C -14.595 -1.609 -1.411 1.00 . A A . 3 LYS C 1 1 12 4651 1 1 3 LYS CA C -14.129 -3.054 -1.576 1.00 . A A . 3 LYS CA 1 1 12 4652 1 1 3 LYS CB C -14.745 -3.656 -2.815 1.00 . A A . 3 LYS CB 1 1 12 4653 1 1 3 LYS CD C -15.053 -3.031 -5.219 1.00 . A A . 3 LYS CD 1 1 12 4654 1 1 3 LYS CE C -15.989 -1.873 -4.967 1.00 . A A . 3 LYS CE 1 1 12 4655 1 1 3 LYS CG C -14.076 -3.174 -4.087 1.00 . A A . 3 LYS CG 1 1 12 4656 1 1 3 LYS H H -15.416 -4.118 -0.313 1.00 . A A . 3 LYS H 1 1 12 4657 1 1 3 LYS HA H -13.050 -3.070 -1.647 1.00 . A A . 3 LYS HA 1 1 12 4658 1 1 3 LYS HB2 H -14.651 -4.729 -2.758 1.00 . A A . 3 LYS HB2 1 1 12 4659 1 1 3 LYS HB3 H -15.791 -3.396 -2.852 1.00 . A A . 3 LYS HB3 1 1 12 4660 1 1 3 LYS HD2 H -14.521 -2.865 -6.144 1.00 . A A . 3 LYS HD2 1 1 12 4661 1 1 3 LYS HD3 H -15.635 -3.938 -5.284 1.00 . A A . 3 LYS HD3 1 1 12 4662 1 1 3 LYS HE2 H -16.575 -2.063 -4.079 1.00 . A A . 3 LYS HE2 1 1 12 4663 1 1 3 LYS HE3 H -15.387 -0.997 -4.780 1.00 . A A . 3 LYS HE3 1 1 12 4664 1 1 3 LYS HG2 H -13.622 -2.211 -3.901 1.00 . A A . 3 LYS HG2 1 1 12 4665 1 1 3 LYS HG3 H -13.309 -3.883 -4.368 1.00 . A A . 3 LYS HG3 1 1 12 4666 1 1 3 LYS HZ1 H -17.514 -2.442 -6.261 1.00 . A A . 3 LYS HZ1 1 1 12 4667 1 1 3 LYS HZ2 H -16.300 -1.569 -6.984 1.00 . A A . 3 LYS HZ2 1 1 12 4668 1 1 3 LYS HZ3 H -17.427 -0.766 -6.027 1.00 . A A . 3 LYS HZ3 1 1 12 4669 1 1 3 LYS N N -14.503 -3.769 -0.399 1.00 . A A . 3 LYS N 1 1 12 4670 1 1 3 LYS NZ N -16.871 -1.639 -6.118 1.00 . A A . 3 LYS NZ 1 1 12 4671 1 1 3 LYS O O -15.766 -1.277 -1.638 1.00 . A A . 3 LYS O 1 1 12 4672 1 1 4 LEU C C -12.908 1.486 -1.080 1.00 . A A . 4 LEU C 1 1 12 4673 1 1 4 LEU CA C -14.026 0.574 -0.657 1.00 . A A . 4 LEU CA 1 1 12 4674 1 1 4 LEU CB C -14.186 0.606 0.851 1.00 . A A . 4 LEU CB 1 1 12 4675 1 1 4 LEU CD1 C -16.162 2.065 1.293 1.00 . A A . 4 LEU CD1 1 1 12 4676 1 1 4 LEU CD2 C -14.295 1.934 2.958 1.00 . A A . 4 LEU CD2 1 1 12 4677 1 1 4 LEU CG C -14.670 1.898 1.492 1.00 . A A . 4 LEU CG 1 1 12 4678 1 1 4 LEU H H -12.770 -1.081 -0.938 1.00 . A A . 4 LEU H 1 1 12 4679 1 1 4 LEU HA H -14.956 0.875 -1.115 1.00 . A A . 4 LEU HA 1 1 12 4680 1 1 4 LEU HB2 H -14.944 -0.147 1.016 1.00 . A A . 4 LEU HB2 1 1 12 4681 1 1 4 LEU HB3 H -13.264 0.282 1.312 1.00 . A A . 4 LEU HB3 1 1 12 4682 1 1 4 LEU HD11 H -16.489 2.987 1.748 1.00 . A A . 4 LEU HD11 1 1 12 4683 1 1 4 LEU HD12 H -16.685 1.232 1.738 1.00 . A A . 4 LEU HD12 1 1 12 4684 1 1 4 LEU HD13 H -16.373 2.092 0.234 1.00 . A A . 4 LEU HD13 1 1 12 4685 1 1 4 LEU HD21 H -14.725 1.075 3.450 1.00 . A A . 4 LEU HD21 1 1 12 4686 1 1 4 LEU HD22 H -14.673 2.838 3.412 1.00 . A A . 4 LEU HD22 1 1 12 4687 1 1 4 LEU HD23 H -13.221 1.900 3.058 1.00 . A A . 4 LEU HD23 1 1 12 4688 1 1 4 LEU HG H -14.189 2.728 0.996 1.00 . A A . 4 LEU HG 1 1 12 4689 1 1 4 LEU N N -13.697 -0.775 -1.009 1.00 . A A . 4 LEU N 1 1 12 4690 1 1 4 LEU O O -11.778 1.026 -1.270 1.00 . A A . 4 LEU O 1 1 12 4691 1 1 5 ALA C C -11.098 3.869 -0.593 1.00 . A A . 5 ALA C 1 1 12 4692 1 1 5 ALA CA C -12.226 3.771 -1.612 1.00 . A A . 5 ALA CA 1 1 12 4693 1 1 5 ALA CB C -12.890 5.121 -1.810 1.00 . A A . 5 ALA CB 1 1 12 4694 1 1 5 ALA H H -14.135 3.067 -1.055 1.00 . A A . 5 ALA H 1 1 12 4695 1 1 5 ALA HA H -11.811 3.449 -2.551 1.00 . A A . 5 ALA HA 1 1 12 4696 1 1 5 ALA HB1 H -13.297 5.455 -0.867 1.00 . A A . 5 ALA HB1 1 1 12 4697 1 1 5 ALA HB2 H -13.699 5.011 -2.518 1.00 . A A . 5 ALA HB2 1 1 12 4698 1 1 5 ALA HB3 H -12.175 5.841 -2.181 1.00 . A A . 5 ALA HB3 1 1 12 4699 1 1 5 ALA N N -13.209 2.771 -1.213 1.00 . A A . 5 ALA N 1 1 12 4700 1 1 5 ALA O O -9.943 4.042 -0.938 1.00 . A A . 5 ALA O 1 1 12 4701 1 1 6 TYR C C -9.681 2.487 1.817 1.00 . A A . 6 TYR C 1 1 12 4702 1 1 6 TYR CA C -10.447 3.778 1.714 1.00 . A A . 6 TYR CA 1 1 12 4703 1 1 6 TYR CB C -11.058 4.143 3.054 1.00 . A A . 6 TYR CB 1 1 12 4704 1 1 6 TYR CD1 C -12.864 5.872 2.754 1.00 . A A . 6 TYR CD1 1 1 12 4705 1 1 6 TYR CD2 C -10.723 6.574 3.530 1.00 . A A . 6 TYR CD2 1 1 12 4706 1 1 6 TYR CE1 C -13.312 7.171 2.809 1.00 . A A . 6 TYR CE1 1 1 12 4707 1 1 6 TYR CE2 C -11.162 7.872 3.588 1.00 . A A . 6 TYR CE2 1 1 12 4708 1 1 6 TYR CG C -11.560 5.553 3.115 1.00 . A A . 6 TYR CG 1 1 12 4709 1 1 6 TYR CZ C -12.459 8.169 3.228 1.00 . A A . 6 TYR CZ 1 1 12 4710 1 1 6 TYR H H -12.392 3.595 0.848 1.00 . A A . 6 TYR H 1 1 12 4711 1 1 6 TYR HA H -9.749 4.552 1.436 1.00 . A A . 6 TYR HA 1 1 12 4712 1 1 6 TYR HB2 H -11.874 3.474 3.275 1.00 . A A . 6 TYR HB2 1 1 12 4713 1 1 6 TYR HB3 H -10.302 4.037 3.817 1.00 . A A . 6 TYR HB3 1 1 12 4714 1 1 6 TYR HD1 H -13.534 5.092 2.424 1.00 . A A . 6 TYR HD1 1 1 12 4715 1 1 6 TYR HD2 H -9.706 6.335 3.808 1.00 . A A . 6 TYR HD2 1 1 12 4716 1 1 6 TYR HE1 H -14.325 7.408 2.527 1.00 . A A . 6 TYR HE1 1 1 12 4717 1 1 6 TYR HE2 H -10.482 8.643 3.916 1.00 . A A . 6 TYR HE2 1 1 12 4718 1 1 6 TYR HH H -13.803 9.477 3.639 1.00 . A A . 6 TYR HH 1 1 12 4719 1 1 6 TYR N N -11.441 3.726 0.656 1.00 . A A . 6 TYR N 1 1 12 4720 1 1 6 TYR O O -8.517 2.474 2.167 1.00 . A A . 6 TYR O 1 1 12 4721 1 1 6 TYR OH O -12.904 9.468 3.286 1.00 . A A . 6 TYR OH 1 1 12 4722 1 1 7 ASN C C -8.702 -0.027 0.413 1.00 . A A . 7 ASN C 1 1 12 4723 1 1 7 ASN CA C -9.662 0.135 1.581 1.00 . A A . 7 ASN CA 1 1 12 4724 1 1 7 ASN CB C -10.665 -1.026 1.666 1.00 . A A . 7 ASN CB 1 1 12 4725 1 1 7 ASN CG C -10.048 -2.373 2.134 1.00 . A A . 7 ASN CG 1 1 12 4726 1 1 7 ASN H H -11.234 1.496 1.151 1.00 . A A . 7 ASN H 1 1 12 4727 1 1 7 ASN HA H -9.067 0.155 2.481 1.00 . A A . 7 ASN HA 1 1 12 4728 1 1 7 ASN HB2 H -11.442 -0.757 2.365 1.00 . A A . 7 ASN HB2 1 1 12 4729 1 1 7 ASN HB3 H -11.104 -1.167 0.690 1.00 . A A . 7 ASN HB3 1 1 12 4730 1 1 7 ASN HD21 H -8.260 -1.980 1.331 1.00 . A A . 7 ASN HD21 1 1 12 4731 1 1 7 ASN HD22 H -8.422 -3.496 2.122 1.00 . A A . 7 ASN HD22 1 1 12 4732 1 1 7 ASN N N -10.322 1.412 1.490 1.00 . A A . 7 ASN N 1 1 12 4733 1 1 7 ASN ND2 N -8.795 -2.632 1.835 1.00 . A A . 7 ASN ND2 1 1 12 4734 1 1 7 ASN O O -7.554 -0.380 0.595 1.00 . A A . 7 ASN O 1 1 12 4735 1 1 7 ASN OD1 O -10.718 -3.161 2.783 1.00 . A A . 7 ASN OD1 1 1 12 4736 1 1 8 MET C C -7.427 1.278 -2.150 1.00 . A A . 8 MET C 1 1 12 4737 1 1 8 MET CA C -8.326 0.047 -1.937 1.00 . A A . 8 MET CA 1 1 12 4738 1 1 8 MET CB C -9.103 -0.283 -3.209 1.00 . A A . 8 MET CB 1 1 12 4739 1 1 8 MET CE C -6.714 -2.629 -3.060 1.00 . A A . 8 MET CE 1 1 12 4740 1 1 8 MET CG C -8.225 -0.620 -4.419 1.00 . A A . 8 MET CG 1 1 12 4741 1 1 8 MET H H -10.135 0.416 -0.880 1.00 . A A . 8 MET H 1 1 12 4742 1 1 8 MET HA H -7.663 -0.772 -1.715 1.00 . A A . 8 MET HA 1 1 12 4743 1 1 8 MET HB2 H -9.754 -1.124 -3.016 1.00 . A A . 8 MET HB2 1 1 12 4744 1 1 8 MET HB3 H -9.714 0.570 -3.465 1.00 . A A . 8 MET HB3 1 1 12 4745 1 1 8 MET HE1 H -5.935 -1.882 -3.005 1.00 . A A . 8 MET HE1 1 1 12 4746 1 1 8 MET HE2 H -6.257 -3.606 -3.131 1.00 . A A . 8 MET HE2 1 1 12 4747 1 1 8 MET HE3 H -7.335 -2.594 -2.178 1.00 . A A . 8 MET HE3 1 1 12 4748 1 1 8 MET HG2 H -8.762 -0.365 -5.320 1.00 . A A . 8 MET HG2 1 1 12 4749 1 1 8 MET HG3 H -7.335 -0.011 -4.359 1.00 . A A . 8 MET HG3 1 1 12 4750 1 1 8 MET N N -9.188 0.171 -0.779 1.00 . A A . 8 MET N 1 1 12 4751 1 1 8 MET O O -6.212 1.185 -2.053 1.00 . A A . 8 MET O 1 1 12 4752 1 1 8 MET SD S -7.715 -2.374 -4.532 1.00 . A A . 8 MET SD 1 1 12 4753 1 1 9 GLY C C -6.518 4.265 -1.627 1.00 . A A . 9 GLY C 1 1 12 4754 1 1 9 GLY CA C -7.327 3.646 -2.741 1.00 . A A . 9 GLY CA 1 1 12 4755 1 1 9 GLY H H -9.029 2.485 -2.325 1.00 . A A . 9 GLY H 1 1 12 4756 1 1 9 GLY HA2 H -6.654 3.429 -3.558 1.00 . A A . 9 GLY HA2 1 1 12 4757 1 1 9 GLY HA3 H -8.045 4.377 -3.081 1.00 . A A . 9 GLY HA3 1 1 12 4758 1 1 9 GLY N N -8.050 2.429 -2.378 1.00 . A A . 9 GLY N 1 1 12 4759 1 1 9 GLY O O -5.368 4.661 -1.846 1.00 . A A . 9 GLY O 1 1 12 4760 1 1 10 HIS C C -5.179 4.126 1.072 1.00 . A A . 10 HIS C 1 1 12 4761 1 1 10 HIS CA C -6.395 4.976 0.688 1.00 . A A . 10 HIS CA 1 1 12 4762 1 1 10 HIS CB C -7.347 5.198 1.869 1.00 . A A . 10 HIS CB 1 1 12 4763 1 1 10 HIS CD2 C -6.440 5.587 4.246 1.00 . A A . 10 HIS CD2 1 1 12 4764 1 1 10 HIS CE1 C -5.796 7.625 3.988 1.00 . A A . 10 HIS CE1 1 1 12 4765 1 1 10 HIS CG C -6.749 5.964 2.986 1.00 . A A . 10 HIS CG 1 1 12 4766 1 1 10 HIS H H -8.004 3.984 -0.340 1.00 . A A . 10 HIS H 1 1 12 4767 1 1 10 HIS HA H -6.003 5.936 0.375 1.00 . A A . 10 HIS HA 1 1 12 4768 1 1 10 HIS HB2 H -8.205 5.755 1.529 1.00 . A A . 10 HIS HB2 1 1 12 4769 1 1 10 HIS HB3 H -7.667 4.242 2.253 1.00 . A A . 10 HIS HB3 1 1 12 4770 1 1 10 HIS HD1 H -6.457 7.826 2.074 1.00 . A A . 10 HIS HD1 1 1 12 4771 1 1 10 HIS HD2 H -6.668 4.632 4.696 1.00 . A A . 10 HIS HD2 1 1 12 4772 1 1 10 HIS HE1 H -5.354 8.597 4.115 1.00 . A A . 10 HIS HE1 1 1 12 4773 1 1 10 HIS N N -7.096 4.352 -0.437 1.00 . A A . 10 HIS N 1 1 12 4774 1 1 10 HIS ND1 N -6.339 7.251 2.864 1.00 . A A . 10 HIS ND1 1 1 12 4775 1 1 10 HIS NE2 N -5.823 6.655 4.888 1.00 . A A . 10 HIS NE2 1 1 12 4776 1 1 10 HIS O O -4.092 4.645 1.328 1.00 . A A . 10 HIS O 1 1 12 4777 1 1 11 TYR C C -3.242 1.954 0.171 1.00 . A A . 11 TYR C 1 1 12 4778 1 1 11 TYR CA C -4.247 1.911 1.284 1.00 . A A . 11 TYR CA 1 1 12 4779 1 1 11 TYR CB C -4.695 0.489 1.488 1.00 . A A . 11 TYR CB 1 1 12 4780 1 1 11 TYR CD1 C -4.161 -0.350 3.768 1.00 . A A . 11 TYR CD1 1 1 12 4781 1 1 11 TYR CD2 C -6.388 0.330 3.340 1.00 . A A . 11 TYR CD2 1 1 12 4782 1 1 11 TYR CE1 C -4.499 -0.685 5.050 1.00 . A A . 11 TYR CE1 1 1 12 4783 1 1 11 TYR CE2 C -6.744 0.002 4.629 1.00 . A A . 11 TYR CE2 1 1 12 4784 1 1 11 TYR CG C -5.094 0.153 2.891 1.00 . A A . 11 TYR CG 1 1 12 4785 1 1 11 TYR CZ C -5.798 -0.502 5.483 1.00 . A A . 11 TYR CZ 1 1 12 4786 1 1 11 TYR H H -6.244 2.455 0.861 1.00 . A A . 11 TYR H 1 1 12 4787 1 1 11 TYR HA H -3.743 2.243 2.180 1.00 . A A . 11 TYR HA 1 1 12 4788 1 1 11 TYR HB2 H -5.554 0.331 0.857 1.00 . A A . 11 TYR HB2 1 1 12 4789 1 1 11 TYR HB3 H -3.906 -0.183 1.184 1.00 . A A . 11 TYR HB3 1 1 12 4790 1 1 11 TYR HD1 H -3.147 -0.490 3.427 1.00 . A A . 11 TYR HD1 1 1 12 4791 1 1 11 TYR HD2 H -7.121 0.728 2.653 1.00 . A A . 11 TYR HD2 1 1 12 4792 1 1 11 TYR HE1 H -3.726 -1.078 5.692 1.00 . A A . 11 TYR HE1 1 1 12 4793 1 1 11 TYR HE2 H -7.758 0.144 4.969 1.00 . A A . 11 TYR HE2 1 1 12 4794 1 1 11 TYR HH H -5.484 -0.501 7.369 1.00 . A A . 11 TYR HH 1 1 12 4795 1 1 11 TYR N N -5.350 2.814 1.042 1.00 . A A . 11 TYR N 1 1 12 4796 1 1 11 TYR O O -2.066 1.875 0.436 1.00 . A A . 11 TYR O 1 1 12 4797 1 1 11 TYR OH O -6.158 -0.834 6.765 1.00 . A A . 11 TYR OH 1 1 12 4798 1 1 12 ALA C C -1.801 3.254 -2.089 1.00 . A A . 12 ALA C 1 1 12 4799 1 1 12 ALA CA C -2.825 2.149 -2.232 1.00 . A A . 12 ALA CA 1 1 12 4800 1 1 12 ALA CB C -3.623 2.325 -3.515 1.00 . A A . 12 ALA CB 1 1 12 4801 1 1 12 ALA H H -4.680 2.139 -1.223 1.00 . A A . 12 ALA H 1 1 12 4802 1 1 12 ALA HA H -2.293 1.212 -2.286 1.00 . A A . 12 ALA HA 1 1 12 4803 1 1 12 ALA HB1 H -2.955 2.286 -4.363 1.00 . A A . 12 ALA HB1 1 1 12 4804 1 1 12 ALA HB2 H -4.128 3.279 -3.488 1.00 . A A . 12 ALA HB2 1 1 12 4805 1 1 12 ALA HB3 H -4.357 1.536 -3.590 1.00 . A A . 12 ALA HB3 1 1 12 4806 1 1 12 ALA N N -3.709 2.095 -1.067 1.00 . A A . 12 ALA N 1 1 12 4807 1 1 12 ALA O O -0.629 3.060 -2.398 1.00 . A A . 12 ALA O 1 1 12 4808 1 1 13 GLY C C -0.248 5.138 -0.349 1.00 . A A . 13 GLY C 1 1 12 4809 1 1 13 GLY CA C -1.328 5.496 -1.356 1.00 . A A . 13 GLY CA 1 1 12 4810 1 1 13 GLY H H -3.189 4.480 -1.360 1.00 . A A . 13 GLY H 1 1 12 4811 1 1 13 GLY HA2 H -0.862 5.763 -2.294 1.00 . A A . 13 GLY HA2 1 1 12 4812 1 1 13 GLY HA3 H -1.887 6.340 -0.983 1.00 . A A . 13 GLY HA3 1 1 12 4813 1 1 13 GLY N N -2.235 4.394 -1.579 1.00 . A A . 13 GLY N 1 1 12 4814 1 1 13 GLY O O 0.942 5.391 -0.574 1.00 . A A . 13 GLY O 1 1 12 4815 1 1 14 LYS C C 1.149 2.940 1.379 1.00 . A A . 14 LYS C 1 1 12 4816 1 1 14 LYS CA C 0.273 4.105 1.788 1.00 . A A . 14 LYS CA 1 1 12 4817 1 1 14 LYS CB C -0.459 3.789 3.106 1.00 . A A . 14 LYS CB 1 1 12 4818 1 1 14 LYS CD C -1.901 5.895 3.209 1.00 . A A . 14 LYS CD 1 1 12 4819 1 1 14 LYS CE C -2.289 7.079 4.071 1.00 . A A . 14 LYS CE 1 1 12 4820 1 1 14 LYS CG C -0.894 5.011 3.924 1.00 . A A . 14 LYS CG 1 1 12 4821 1 1 14 LYS H H -1.598 4.222 0.794 1.00 . A A . 14 LYS H 1 1 12 4822 1 1 14 LYS HA H 0.925 4.950 1.955 1.00 . A A . 14 LYS HA 1 1 12 4823 1 1 14 LYS HB2 H -1.346 3.218 2.875 1.00 . A A . 14 LYS HB2 1 1 12 4824 1 1 14 LYS HB3 H 0.185 3.178 3.721 1.00 . A A . 14 LYS HB3 1 1 12 4825 1 1 14 LYS HD2 H -1.460 6.254 2.288 1.00 . A A . 14 LYS HD2 1 1 12 4826 1 1 14 LYS HD3 H -2.785 5.322 2.969 1.00 . A A . 14 LYS HD3 1 1 12 4827 1 1 14 LYS HE2 H -1.395 7.638 4.298 1.00 . A A . 14 LYS HE2 1 1 12 4828 1 1 14 LYS HE3 H -2.979 7.704 3.523 1.00 . A A . 14 LYS HE3 1 1 12 4829 1 1 14 LYS HG2 H -1.346 4.669 4.842 1.00 . A A . 14 LYS HG2 1 1 12 4830 1 1 14 LYS HG3 H -0.017 5.597 4.153 1.00 . A A . 14 LYS HG3 1 1 12 4831 1 1 14 LYS HZ1 H -2.263 6.062 5.886 1.00 . A A . 14 LYS HZ1 1 1 12 4832 1 1 14 LYS HZ2 H -3.785 6.129 5.197 1.00 . A A . 14 LYS HZ2 1 1 12 4833 1 1 14 LYS HZ3 H -3.121 7.499 5.928 1.00 . A A . 14 LYS HZ3 1 1 12 4834 1 1 14 LYS N N -0.652 4.482 0.726 1.00 . A A . 14 LYS N 1 1 12 4835 1 1 14 LYS NZ N -2.907 6.669 5.345 1.00 . A A . 14 LYS NZ 1 1 12 4836 1 1 14 LYS O O 2.340 2.929 1.657 1.00 . A A . 14 LYS O 1 1 12 4837 1 1 15 ALA C C 2.284 1.124 -0.823 1.00 . A A . 15 ALA C 1 1 12 4838 1 1 15 ALA CA C 1.268 0.805 0.257 1.00 . A A . 15 ALA CA 1 1 12 4839 1 1 15 ALA CB C 0.297 -0.260 -0.212 1.00 . A A . 15 ALA CB 1 1 12 4840 1 1 15 ALA H H -0.393 2.075 0.497 1.00 . A A . 15 ALA H 1 1 12 4841 1 1 15 ALA HA H 1.804 0.413 1.109 1.00 . A A . 15 ALA HA 1 1 12 4842 1 1 15 ALA HB1 H 0.871 -1.135 -0.480 1.00 . A A . 15 ALA HB1 1 1 12 4843 1 1 15 ALA HB2 H -0.251 0.096 -1.072 1.00 . A A . 15 ALA HB2 1 1 12 4844 1 1 15 ALA HB3 H -0.388 -0.510 0.587 1.00 . A A . 15 ALA HB3 1 1 12 4845 1 1 15 ALA N N 0.567 1.992 0.699 1.00 . A A . 15 ALA N 1 1 12 4846 1 1 15 ALA O O 3.292 0.470 -0.922 1.00 . A A . 15 ALA O 1 1 12 4847 1 1 16 THR C C 4.179 3.238 -1.999 1.00 . A A . 16 THR C 1 1 12 4848 1 1 16 THR CA C 2.982 2.504 -2.625 1.00 . A A . 16 THR CA 1 1 12 4849 1 1 16 THR CB C 2.351 3.347 -3.759 1.00 . A A . 16 THR CB 1 1 12 4850 1 1 16 THR CG2 C 3.338 3.517 -4.912 1.00 . A A . 16 THR CG2 1 1 12 4851 1 1 16 THR H H 1.178 2.602 -1.524 1.00 . A A . 16 THR H 1 1 12 4852 1 1 16 THR HA H 3.345 1.578 -3.046 1.00 . A A . 16 THR HA 1 1 12 4853 1 1 16 THR HB H 2.085 4.318 -3.370 1.00 . A A . 16 THR HB 1 1 12 4854 1 1 16 THR HG1 H 0.489 2.730 -3.610 1.00 . A A . 16 THR HG1 1 1 12 4855 1 1 16 THR HG21 H 4.220 4.018 -4.543 1.00 . A A . 16 THR HG21 1 1 12 4856 1 1 16 THR HG22 H 2.889 4.097 -5.705 1.00 . A A . 16 THR HG22 1 1 12 4857 1 1 16 THR HG23 H 3.616 2.542 -5.287 1.00 . A A . 16 THR HG23 1 1 12 4858 1 1 16 THR N N 2.029 2.129 -1.615 1.00 . A A . 16 THR N 1 1 12 4859 1 1 16 THR O O 5.302 3.073 -2.434 1.00 . A A . 16 THR O 1 1 12 4860 1 1 16 THR OG1 O 1.200 2.664 -4.261 1.00 . A A . 16 THR OG1 1 1 12 4861 1 1 17 ILE C C 5.794 3.765 0.612 1.00 . A A . 17 ILE C 1 1 12 4862 1 1 17 ILE CA C 5.070 4.710 -0.372 1.00 . A A . 17 ILE CA 1 1 12 4863 1 1 17 ILE CB C 4.727 6.110 0.268 1.00 . A A . 17 ILE CB 1 1 12 4864 1 1 17 ILE CD1 C 7.063 7.089 -0.136 1.00 . A A . 17 ILE CD1 1 1 12 4865 1 1 17 ILE CG1 C 5.977 6.770 0.876 1.00 . A A . 17 ILE CG1 1 1 12 4866 1 1 17 ILE CG2 C 3.605 6.035 1.296 1.00 . A A . 17 ILE CG2 1 1 12 4867 1 1 17 ILE H H 3.024 4.241 -0.709 1.00 . A A . 17 ILE H 1 1 12 4868 1 1 17 ILE HA H 5.777 4.872 -1.174 1.00 . A A . 17 ILE HA 1 1 12 4869 1 1 17 ILE HB H 4.376 6.735 -0.540 1.00 . A A . 17 ILE HB 1 1 12 4870 1 1 17 ILE HD11 H 6.667 7.754 -0.890 1.00 . A A . 17 ILE HD11 1 1 12 4871 1 1 17 ILE HD12 H 7.399 6.174 -0.601 1.00 . A A . 17 ILE HD12 1 1 12 4872 1 1 17 ILE HD13 H 7.890 7.569 0.365 1.00 . A A . 17 ILE HD13 1 1 12 4873 1 1 17 ILE HG12 H 5.699 7.696 1.356 1.00 . A A . 17 ILE HG12 1 1 12 4874 1 1 17 ILE HG13 H 6.394 6.101 1.615 1.00 . A A . 17 ILE HG13 1 1 12 4875 1 1 17 ILE HG21 H 3.423 7.018 1.709 1.00 . A A . 17 ILE HG21 1 1 12 4876 1 1 17 ILE HG22 H 3.889 5.355 2.085 1.00 . A A . 17 ILE HG22 1 1 12 4877 1 1 17 ILE HG23 H 2.706 5.674 0.818 1.00 . A A . 17 ILE HG23 1 1 12 4878 1 1 17 ILE N N 3.944 4.069 -1.005 1.00 . A A . 17 ILE N 1 1 12 4879 1 1 17 ILE O O 6.981 3.538 0.485 1.00 . A A . 17 ILE O 1 1 12 4880 1 1 18 PHE C C 5.904 0.942 2.098 1.00 . A A . 18 PHE C 1 1 12 4881 1 1 18 PHE CA C 5.632 2.351 2.580 1.00 . A A . 18 PHE CA 1 1 12 4882 1 1 18 PHE CB C 4.774 2.342 3.838 1.00 . A A . 18 PHE CB 1 1 12 4883 1 1 18 PHE CD1 C 5.773 4.431 4.772 1.00 . A A . 18 PHE CD1 1 1 12 4884 1 1 18 PHE CD2 C 3.394 4.248 4.715 1.00 . A A . 18 PHE CD2 1 1 12 4885 1 1 18 PHE CE1 C 5.668 5.686 5.338 1.00 . A A . 18 PHE CE1 1 1 12 4886 1 1 18 PHE CE2 C 3.281 5.502 5.283 1.00 . A A . 18 PHE CE2 1 1 12 4887 1 1 18 PHE CG C 4.641 3.700 4.454 1.00 . A A . 18 PHE CG 1 1 12 4888 1 1 18 PHE CZ C 4.422 6.223 5.594 1.00 . A A . 18 PHE CZ 1 1 12 4889 1 1 18 PHE H H 4.089 3.355 1.566 1.00 . A A . 18 PHE H 1 1 12 4890 1 1 18 PHE HA H 6.585 2.785 2.844 1.00 . A A . 18 PHE HA 1 1 12 4891 1 1 18 PHE HB2 H 3.787 1.978 3.598 1.00 . A A . 18 PHE HB2 1 1 12 4892 1 1 18 PHE HB3 H 5.231 1.685 4.561 1.00 . A A . 18 PHE HB3 1 1 12 4893 1 1 18 PHE HD1 H 6.743 4.001 4.560 1.00 . A A . 18 PHE HD1 1 1 12 4894 1 1 18 PHE HD2 H 2.506 3.686 4.468 1.00 . A A . 18 PHE HD2 1 1 12 4895 1 1 18 PHE HE1 H 6.558 6.247 5.584 1.00 . A A . 18 PHE HE1 1 1 12 4896 1 1 18 PHE HE2 H 2.306 5.919 5.487 1.00 . A A . 18 PHE HE2 1 1 12 4897 1 1 18 PHE HZ H 4.344 7.205 6.037 1.00 . A A . 18 PHE HZ 1 1 12 4898 1 1 18 PHE N N 5.061 3.211 1.560 1.00 . A A . 18 PHE N 1 1 12 4899 1 1 18 PHE O O 7.017 0.442 2.219 1.00 . A A . 18 PHE O 1 1 12 4900 1 1 19 GLY C C 5.954 -1.272 0.030 1.00 . A A . 19 GLY C 1 1 12 4901 1 1 19 GLY CA C 4.963 -1.075 1.133 1.00 . A A . 19 GLY CA 1 1 12 4902 1 1 19 GLY H H 4.039 0.806 1.439 1.00 . A A . 19 GLY H 1 1 12 4903 1 1 19 GLY HA2 H 5.229 -1.722 1.956 1.00 . A A . 19 GLY HA2 1 1 12 4904 1 1 19 GLY HA3 H 3.997 -1.366 0.748 1.00 . A A . 19 GLY HA3 1 1 12 4905 1 1 19 GLY N N 4.874 0.311 1.563 1.00 . A A . 19 GLY N 1 1 12 4906 1 1 19 GLY O O 6.842 -2.118 0.128 1.00 . A A . 19 GLY O 1 1 12 4907 1 1 20 LEU C C 8.137 -0.257 -1.758 1.00 . A A . 20 LEU C 1 1 12 4908 1 1 20 LEU CA C 6.691 -0.554 -2.142 1.00 . A A . 20 LEU CA 1 1 12 4909 1 1 20 LEU CB C 6.259 0.393 -3.222 1.00 . A A . 20 LEU CB 1 1 12 4910 1 1 20 LEU CD1 C 5.414 -1.105 -4.976 1.00 . A A . 20 LEU CD1 1 1 12 4911 1 1 20 LEU CD2 C 6.495 1.058 -5.597 1.00 . A A . 20 LEU CD2 1 1 12 4912 1 1 20 LEU CG C 6.483 -0.093 -4.625 1.00 . A A . 20 LEU CG 1 1 12 4913 1 1 20 LEU H H 5.050 0.142 -1.006 1.00 . A A . 20 LEU H 1 1 12 4914 1 1 20 LEU HA H 6.639 -1.561 -2.525 1.00 . A A . 20 LEU HA 1 1 12 4915 1 1 20 LEU HB2 H 5.206 0.592 -3.086 1.00 . A A . 20 LEU HB2 1 1 12 4916 1 1 20 LEU HB3 H 6.805 1.317 -3.098 1.00 . A A . 20 LEU HB3 1 1 12 4917 1 1 20 LEU HD11 H 5.593 -1.501 -5.963 1.00 . A A . 20 LEU HD11 1 1 12 4918 1 1 20 LEU HD12 H 4.463 -0.589 -4.957 1.00 . A A . 20 LEU HD12 1 1 12 4919 1 1 20 LEU HD13 H 5.404 -1.895 -4.239 1.00 . A A . 20 LEU HD13 1 1 12 4920 1 1 20 LEU HD21 H 6.677 0.680 -6.592 1.00 . A A . 20 LEU HD21 1 1 12 4921 1 1 20 LEU HD22 H 7.278 1.748 -5.317 1.00 . A A . 20 LEU HD22 1 1 12 4922 1 1 20 LEU HD23 H 5.539 1.558 -5.564 1.00 . A A . 20 LEU HD23 1 1 12 4923 1 1 20 LEU HG H 7.442 -0.588 -4.652 1.00 . A A . 20 LEU HG 1 1 12 4924 1 1 20 LEU N N 5.820 -0.476 -1.001 1.00 . A A . 20 LEU N 1 1 12 4925 1 1 20 LEU O O 9.060 -0.800 -2.362 1.00 . A A . 20 LEU O 1 1 12 4926 1 1 21 ALA C C 10.367 -0.336 0.276 1.00 . A A . 21 ALA C 1 1 12 4927 1 1 21 ALA CA C 9.670 0.913 -0.247 1.00 . A A . 21 ALA CA 1 1 12 4928 1 1 21 ALA CB C 9.620 1.972 0.839 1.00 . A A . 21 ALA CB 1 1 12 4929 1 1 21 ALA H H 7.581 1.027 -0.284 1.00 . A A . 21 ALA H 1 1 12 4930 1 1 21 ALA HA H 10.233 1.298 -1.084 1.00 . A A . 21 ALA HA 1 1 12 4931 1 1 21 ALA HB1 H 9.043 1.605 1.676 1.00 . A A . 21 ALA HB1 1 1 12 4932 1 1 21 ALA HB2 H 9.166 2.875 0.459 1.00 . A A . 21 ALA HB2 1 1 12 4933 1 1 21 ALA HB3 H 10.625 2.184 1.171 1.00 . A A . 21 ALA HB3 1 1 12 4934 1 1 21 ALA N N 8.336 0.591 -0.735 1.00 . A A . 21 ALA N 1 1 12 4935 1 1 21 ALA O O 11.578 -0.417 0.276 1.00 . A A . 21 ALA O 1 1 12 4936 1 1 22 ALA C C 10.760 -3.340 0.038 1.00 . A A . 22 ALA C 1 1 12 4937 1 1 22 ALA CA C 10.152 -2.556 1.191 1.00 . A A . 22 ALA CA 1 1 12 4938 1 1 22 ALA CB C 9.113 -3.381 1.930 1.00 . A A . 22 ALA CB 1 1 12 4939 1 1 22 ALA H H 8.616 -1.200 0.697 1.00 . A A . 22 ALA H 1 1 12 4940 1 1 22 ALA HA H 10.943 -2.297 1.880 1.00 . A A . 22 ALA HA 1 1 12 4941 1 1 22 ALA HB1 H 8.319 -3.639 1.246 1.00 . A A . 22 ALA HB1 1 1 12 4942 1 1 22 ALA HB2 H 8.721 -2.804 2.754 1.00 . A A . 22 ALA HB2 1 1 12 4943 1 1 22 ALA HB3 H 9.579 -4.282 2.305 1.00 . A A . 22 ALA HB3 1 1 12 4944 1 1 22 ALA N N 9.594 -1.314 0.712 1.00 . A A . 22 ALA N 1 1 12 4945 1 1 22 ALA O O 11.708 -4.079 0.212 1.00 . A A . 22 ALA O 1 1 12 4946 1 1 23 TRP C C 11.744 -3.079 -2.999 1.00 . A A . 23 TRP C 1 1 12 4947 1 1 23 TRP CA C 10.699 -3.889 -2.270 1.00 . A A . 23 TRP CA 1 1 12 4948 1 1 23 TRP CB C 9.569 -4.289 -3.192 1.00 . A A . 23 TRP CB 1 1 12 4949 1 1 23 TRP CD1 C 9.576 -6.286 -4.790 1.00 . A A . 23 TRP CD1 1 1 12 4950 1 1 23 TRP CD2 C 9.780 -6.828 -2.632 1.00 . A A . 23 TRP CD2 1 1 12 4951 1 1 23 TRP CE2 C 9.784 -8.007 -3.384 1.00 . A A . 23 TRP CE2 1 1 12 4952 1 1 23 TRP CE3 C 9.910 -6.912 -1.242 1.00 . A A . 23 TRP CE3 1 1 12 4953 1 1 23 TRP CG C 9.624 -5.739 -3.548 1.00 . A A . 23 TRP CG 1 1 12 4954 1 1 23 TRP CH2 C 10.038 -9.307 -1.436 1.00 . A A . 23 TRP CH2 1 1 12 4955 1 1 23 TRP CZ2 C 9.908 -9.257 -2.799 1.00 . A A . 23 TRP CZ2 1 1 12 4956 1 1 23 TRP CZ3 C 10.038 -8.143 -0.661 1.00 . A A . 23 TRP CZ3 1 1 12 4957 1 1 23 TRP H H 9.429 -2.586 -1.221 1.00 . A A . 23 TRP H 1 1 12 4958 1 1 23 TRP HA H 11.173 -4.790 -1.909 1.00 . A A . 23 TRP HA 1 1 12 4959 1 1 23 TRP HB2 H 8.622 -4.074 -2.717 1.00 . A A . 23 TRP HB2 1 1 12 4960 1 1 23 TRP HB3 H 9.636 -3.709 -4.100 1.00 . A A . 23 TRP HB3 1 1 12 4961 1 1 23 TRP HD1 H 9.469 -5.706 -5.693 1.00 . A A . 23 TRP HD1 1 1 12 4962 1 1 23 TRP HE1 H 9.613 -8.284 -5.455 1.00 . A A . 23 TRP HE1 1 1 12 4963 1 1 23 TRP HE3 H 9.915 -6.023 -0.628 1.00 . A A . 23 TRP HE3 1 1 12 4964 1 1 23 TRP HH2 H 10.143 -10.260 -0.939 1.00 . A A . 23 TRP HH2 1 1 12 4965 1 1 23 TRP HZ2 H 9.908 -10.163 -3.385 1.00 . A A . 23 TRP HZ2 1 1 12 4966 1 1 23 TRP HZ3 H 10.140 -8.202 0.413 1.00 . A A . 23 TRP HZ3 1 1 12 4967 1 1 23 TRP N N 10.194 -3.193 -1.123 1.00 . A A . 23 TRP N 1 1 12 4968 1 1 23 TRP NE1 N 9.649 -7.654 -4.700 1.00 . A A . 23 TRP NE1 1 1 12 4969 1 1 23 TRP O O 12.700 -3.618 -3.504 1.00 . A A . 23 TRP O 1 1 12 4970 1 1 24 ALA C C 13.701 -0.615 -2.865 1.00 . A A . 24 ALA C 1 1 12 4971 1 1 24 ALA CA C 12.468 -0.915 -3.741 1.00 . A A . 24 ALA CA 1 1 12 4972 1 1 24 ALA CB C 11.781 0.370 -4.156 1.00 . A A . 24 ALA CB 1 1 12 4973 1 1 24 ALA H H 10.693 -1.425 -2.715 1.00 . A A . 24 ALA H 1 1 12 4974 1 1 24 ALA HA H 12.791 -1.423 -4.638 1.00 . A A . 24 ALA HA 1 1 12 4975 1 1 24 ALA HB1 H 12.462 0.959 -4.751 1.00 . A A . 24 ALA HB1 1 1 12 4976 1 1 24 ALA HB2 H 11.499 0.926 -3.274 1.00 . A A . 24 ALA HB2 1 1 12 4977 1 1 24 ALA HB3 H 10.898 0.143 -4.734 1.00 . A A . 24 ALA HB3 1 1 12 4978 1 1 24 ALA N N 11.524 -1.795 -3.090 1.00 . A A . 24 ALA N 1 1 12 4979 1 1 24 ALA O O 14.822 -0.902 -3.224 1.00 . A A . 24 ALA O 1 1 12 4980 1 1 25 LEU C C 15.090 -0.697 0.045 1.00 . A A . 25 LEU C 1 1 12 4981 1 1 25 LEU CA C 14.511 0.421 -0.836 1.00 . A A . 25 LEU CA 1 1 12 4982 1 1 25 LEU CB C 13.986 1.574 0.040 1.00 . A A . 25 LEU CB 1 1 12 4983 1 1 25 LEU CD1 C 13.028 3.878 0.275 1.00 . A A . 25 LEU CD1 1 1 12 4984 1 1 25 LEU CD2 C 14.722 3.430 -1.498 1.00 . A A . 25 LEU CD2 1 1 12 4985 1 1 25 LEU CG C 13.567 2.850 -0.699 1.00 . A A . 25 LEU CG 1 1 12 4986 1 1 25 LEU H H 12.529 0.107 -1.450 1.00 . A A . 25 LEU H 1 1 12 4987 1 1 25 LEU HA H 15.313 0.817 -1.442 1.00 . A A . 25 LEU HA 1 1 12 4988 1 1 25 LEU HB2 H 13.096 1.207 0.537 1.00 . A A . 25 LEU HB2 1 1 12 4989 1 1 25 LEU HB3 H 14.737 1.826 0.776 1.00 . A A . 25 LEU HB3 1 1 12 4990 1 1 25 LEU HD11 H 13.785 4.109 1.009 1.00 . A A . 25 LEU HD11 1 1 12 4991 1 1 25 LEU HD12 H 12.153 3.494 0.777 1.00 . A A . 25 LEU HD12 1 1 12 4992 1 1 25 LEU HD13 H 12.768 4.779 -0.259 1.00 . A A . 25 LEU HD13 1 1 12 4993 1 1 25 LEU HD21 H 14.413 4.354 -1.963 1.00 . A A . 25 LEU HD21 1 1 12 4994 1 1 25 LEU HD22 H 15.015 2.734 -2.270 1.00 . A A . 25 LEU HD22 1 1 12 4995 1 1 25 LEU HD23 H 15.555 3.620 -0.838 1.00 . A A . 25 LEU HD23 1 1 12 4996 1 1 25 LEU HG H 12.774 2.592 -1.386 1.00 . A A . 25 LEU HG 1 1 12 4997 1 1 25 LEU N N 13.459 -0.025 -1.729 1.00 . A A . 25 LEU N 1 1 12 4998 1 1 25 LEU O O 16.282 -0.707 0.326 1.00 . A A . 25 LEU O 1 1 12 4999 1 1 26 LEU C C 15.198 -3.897 0.805 1.00 . A A . 26 LEU C 1 1 12 5000 1 1 26 LEU CA C 14.652 -2.625 1.457 1.00 . A A . 26 LEU CA 1 1 12 5001 1 1 26 LEU CB C 13.461 -2.939 2.368 1.00 . A A . 26 LEU CB 1 1 12 5002 1 1 26 LEU CD1 C 14.541 -3.373 4.578 1.00 . A A . 26 LEU CD1 1 1 12 5003 1 1 26 LEU CD2 C 12.338 -4.467 3.997 1.00 . A A . 26 LEU CD2 1 1 12 5004 1 1 26 LEU CG C 13.674 -3.949 3.474 1.00 . A A . 26 LEU CG 1 1 12 5005 1 1 26 LEU H H 13.325 -1.628 0.156 1.00 . A A . 26 LEU H 1 1 12 5006 1 1 26 LEU HA H 15.437 -2.210 2.062 1.00 . A A . 26 LEU HA 1 1 12 5007 1 1 26 LEU HB2 H 13.135 -2.016 2.821 1.00 . A A . 26 LEU HB2 1 1 12 5008 1 1 26 LEU HB3 H 12.668 -3.309 1.736 1.00 . A A . 26 LEU HB3 1 1 12 5009 1 1 26 LEU HD11 H 15.489 -3.091 4.148 1.00 . A A . 26 LEU HD11 1 1 12 5010 1 1 26 LEU HD12 H 14.679 -4.119 5.347 1.00 . A A . 26 LEU HD12 1 1 12 5011 1 1 26 LEU HD13 H 14.065 -2.503 5.006 1.00 . A A . 26 LEU HD13 1 1 12 5012 1 1 26 LEU HD21 H 11.747 -3.651 4.385 1.00 . A A . 26 LEU HD21 1 1 12 5013 1 1 26 LEU HD22 H 12.516 -5.185 4.783 1.00 . A A . 26 LEU HD22 1 1 12 5014 1 1 26 LEU HD23 H 11.800 -4.953 3.193 1.00 . A A . 26 LEU HD23 1 1 12 5015 1 1 26 LEU HG H 14.202 -4.773 3.022 1.00 . A A . 26 LEU HG 1 1 12 5016 1 1 26 LEU N N 14.249 -1.615 0.484 1.00 . A A . 26 LEU N 1 1 12 5017 1 1 26 LEU O O 15.870 -4.705 1.461 1.00 . A A . 26 LEU O 1 1 12 5018 1 1 27 ALA C C 16.558 -4.970 -2.031 1.00 . A A . 27 ALA C 1 1 12 5019 1 1 27 ALA CA C 15.360 -5.256 -1.138 1.00 . A A . 27 ALA CA 1 1 12 5020 1 1 27 ALA CB C 14.213 -5.876 -1.929 1.00 . A A . 27 ALA CB 1 1 12 5021 1 1 27 ALA H H 14.445 -3.349 -0.902 1.00 . A A . 27 ALA H 1 1 12 5022 1 1 27 ALA HA H 15.667 -5.960 -0.379 1.00 . A A . 27 ALA HA 1 1 12 5023 1 1 27 ALA HB1 H 13.385 -6.073 -1.265 1.00 . A A . 27 ALA HB1 1 1 12 5024 1 1 27 ALA HB2 H 14.531 -6.804 -2.382 1.00 . A A . 27 ALA HB2 1 1 12 5025 1 1 27 ALA HB3 H 13.888 -5.195 -2.703 1.00 . A A . 27 ALA HB3 1 1 12 5026 1 1 27 ALA N N 14.926 -4.064 -0.440 1.00 . A A . 27 ALA N 1 1 12 5027 1 1 27 ALA O O 17.704 -5.036 -1.525 1.00 . A A . 27 ALA O 1 1 12 5028 1 1 27 ALA OXT O 16.361 -4.701 -3.228 1.00 . A A . 27 ALA OXT 1 1 13 5029 1 1 1 ARG C C -13.162 -7.767 0.147 1.00 . A A . 1 ARG C 1 1 13 5030 1 1 1 ARG CA C -12.294 -8.956 0.401 1.00 . A A . 1 ARG CA 1 1 13 5031 1 1 1 ARG CB C -12.612 -10.055 -0.673 1.00 . A A . 1 ARG CB 1 1 13 5032 1 1 1 ARG CD C -12.583 -12.196 0.616 1.00 . A A . 1 ARG CD 1 1 13 5033 1 1 1 ARG CG C -11.912 -11.399 -0.474 1.00 . A A . 1 ARG CG 1 1 13 5034 1 1 1 ARG CZ C -11.832 -13.616 2.464 1.00 . A A . 1 ARG CZ 1 1 13 5035 1 1 1 ARG H1 H -13.537 -9.703 1.942 1.00 . A A . 1 ARG H1 1 1 13 5036 1 1 1 ARG H2 H -12.458 -8.549 2.395 1.00 . A A . 1 ARG H2 1 1 13 5037 1 1 1 ARG H3 H -11.875 -10.087 2.137 1.00 . A A . 1 ARG H3 1 1 13 5038 1 1 1 ARG HA H -11.257 -8.662 0.343 1.00 . A A . 1 ARG HA 1 1 13 5039 1 1 1 ARG HB2 H -13.677 -10.231 -0.680 1.00 . A A . 1 ARG HB2 1 1 13 5040 1 1 1 ARG HB3 H -12.327 -9.660 -1.637 1.00 . A A . 1 ARG HB3 1 1 13 5041 1 1 1 ARG HD2 H -12.819 -11.500 1.404 1.00 . A A . 1 ARG HD2 1 1 13 5042 1 1 1 ARG HD3 H -13.487 -12.648 0.242 1.00 . A A . 1 ARG HD3 1 1 13 5043 1 1 1 ARG HE H -11.030 -13.589 0.613 1.00 . A A . 1 ARG HE 1 1 13 5044 1 1 1 ARG HG2 H -11.949 -11.959 -1.398 1.00 . A A . 1 ARG HG2 1 1 13 5045 1 1 1 ARG HG3 H -10.881 -11.219 -0.206 1.00 . A A . 1 ARG HG3 1 1 13 5046 1 1 1 ARG HH11 H -13.537 -12.541 2.895 1.00 . A A . 1 ARG HH11 1 1 13 5047 1 1 1 ARG HH12 H -12.934 -13.434 4.201 1.00 . A A . 1 ARG HH12 1 1 13 5048 1 1 1 ARG HH21 H -10.202 -14.833 2.388 1.00 . A A . 1 ARG HH21 1 1 13 5049 1 1 1 ARG HH22 H -10.946 -14.758 3.909 1.00 . A A . 1 ARG HH22 1 1 13 5050 1 1 1 ARG N N -12.558 -9.390 1.783 1.00 . A A . 1 ARG N 1 1 13 5051 1 1 1 ARG NE N -11.740 -13.221 1.191 1.00 . A A . 1 ARG NE 1 1 13 5052 1 1 1 ARG NH1 N -12.832 -13.171 3.235 1.00 . A A . 1 ARG NH1 1 1 13 5053 1 1 1 ARG NH2 N -10.952 -14.459 2.949 1.00 . A A . 1 ARG NH2 1 1 13 5054 1 1 1 ARG O O -14.374 -7.905 0.022 1.00 . A A . 1 ARG O 1 1 13 5055 1 1 2 ASN C C -12.830 -4.549 -1.149 1.00 . A A . 2 ASN C 1 1 13 5056 1 1 2 ASN CA C -13.357 -5.401 -0.031 1.00 . A A . 2 ASN CA 1 1 13 5057 1 1 2 ASN CB C -13.368 -4.577 1.281 1.00 . A A . 2 ASN CB 1 1 13 5058 1 1 2 ASN CG C -13.838 -5.360 2.497 1.00 . A A . 2 ASN CG 1 1 13 5059 1 1 2 ASN H H -11.596 -6.552 0.090 1.00 . A A . 2 ASN H 1 1 13 5060 1 1 2 ASN HA H -14.372 -5.687 -0.260 1.00 . A A . 2 ASN HA 1 1 13 5061 1 1 2 ASN HB2 H -12.368 -4.220 1.482 1.00 . A A . 2 ASN HB2 1 1 13 5062 1 1 2 ASN HB3 H -14.019 -3.724 1.149 1.00 . A A . 2 ASN HB3 1 1 13 5063 1 1 2 ASN HD21 H -15.729 -4.928 2.110 1.00 . A A . 2 ASN HD21 1 1 13 5064 1 1 2 ASN HD22 H -15.425 -5.922 3.500 1.00 . A A . 2 ASN HD22 1 1 13 5065 1 1 2 ASN N N -12.577 -6.606 0.094 1.00 . A A . 2 ASN N 1 1 13 5066 1 1 2 ASN ND2 N -15.126 -5.400 2.727 1.00 . A A . 2 ASN ND2 1 1 13 5067 1 1 2 ASN O O -11.801 -3.886 -1.009 1.00 . A A . 2 ASN O 1 1 13 5068 1 1 2 ASN OD1 O -13.036 -5.947 3.216 1.00 . A A . 2 ASN OD1 1 1 13 5069 1 1 3 LYS C C -13.769 -2.379 -3.047 1.00 . A A . 3 LYS C 1 1 13 5070 1 1 3 LYS CA C -13.128 -3.723 -3.345 1.00 . A A . 3 LYS CA 1 1 13 5071 1 1 3 LYS CB C -13.630 -4.253 -4.684 1.00 . A A . 3 LYS CB 1 1 13 5072 1 1 3 LYS CD C -14.269 -3.314 -6.924 1.00 . A A . 3 LYS CD 1 1 13 5073 1 1 3 LYS CE C -15.428 -2.464 -6.408 1.00 . A A . 3 LYS CE 1 1 13 5074 1 1 3 LYS CG C -13.181 -3.416 -5.878 1.00 . A A . 3 LYS CG 1 1 13 5075 1 1 3 LYS H H -14.207 -5.242 -2.388 1.00 . A A . 3 LYS H 1 1 13 5076 1 1 3 LYS HA H -12.054 -3.607 -3.367 1.00 . A A . 3 LYS HA 1 1 13 5077 1 1 3 LYS HB2 H -13.245 -5.254 -4.809 1.00 . A A . 3 LYS HB2 1 1 13 5078 1 1 3 LYS HB3 H -14.707 -4.291 -4.667 1.00 . A A . 3 LYS HB3 1 1 13 5079 1 1 3 LYS HD2 H -13.858 -2.863 -7.814 1.00 . A A . 3 LYS HD2 1 1 13 5080 1 1 3 LYS HD3 H -14.639 -4.302 -7.153 1.00 . A A . 3 LYS HD3 1 1 13 5081 1 1 3 LYS HE2 H -15.763 -2.852 -5.457 1.00 . A A . 3 LYS HE2 1 1 13 5082 1 1 3 LYS HE3 H -15.059 -1.461 -6.251 1.00 . A A . 3 LYS HE3 1 1 13 5083 1 1 3 LYS HG2 H -12.929 -2.426 -5.527 1.00 . A A . 3 LYS HG2 1 1 13 5084 1 1 3 LYS HG3 H -12.303 -3.866 -6.322 1.00 . A A . 3 LYS HG3 1 1 13 5085 1 1 3 LYS HZ1 H -17.320 -1.849 -6.958 1.00 . A A . 3 LYS HZ1 1 1 13 5086 1 1 3 LYS HZ2 H -16.923 -3.388 -7.502 1.00 . A A . 3 LYS HZ2 1 1 13 5087 1 1 3 LYS HZ3 H -16.290 -2.025 -8.270 1.00 . A A . 3 LYS HZ3 1 1 13 5088 1 1 3 LYS N N -13.476 -4.598 -2.271 1.00 . A A . 3 LYS N 1 1 13 5089 1 1 3 LYS NZ N -16.551 -2.432 -7.348 1.00 . A A . 3 LYS NZ 1 1 13 5090 1 1 3 LYS O O -14.970 -2.200 -3.207 1.00 . A A . 3 LYS O 1 1 13 5091 1 1 4 LEU C C -12.336 0.802 -2.442 1.00 . A A . 4 LEU C 1 1 13 5092 1 1 4 LEU CA C -13.445 -0.174 -2.186 1.00 . A A . 4 LEU CA 1 1 13 5093 1 1 4 LEU CB C -13.814 -0.160 -0.689 1.00 . A A . 4 LEU CB 1 1 13 5094 1 1 4 LEU CD1 C -15.718 1.497 -0.766 1.00 . A A . 4 LEU CD1 1 1 13 5095 1 1 4 LEU CD2 C -14.488 1.101 1.376 1.00 . A A . 4 LEU CD2 1 1 13 5096 1 1 4 LEU CG C -14.378 1.155 -0.133 1.00 . A A . 4 LEU CG 1 1 13 5097 1 1 4 LEU H H -12.036 -1.690 -2.480 1.00 . A A . 4 LEU H 1 1 13 5098 1 1 4 LEU HA H -14.314 0.090 -2.768 1.00 . A A . 4 LEU HA 1 1 13 5099 1 1 4 LEU HB2 H -14.550 -0.929 -0.516 1.00 . A A . 4 LEU HB2 1 1 13 5100 1 1 4 LEU HB3 H -12.923 -0.408 -0.131 1.00 . A A . 4 LEU HB3 1 1 13 5101 1 1 4 LEU HD11 H -16.095 2.414 -0.335 1.00 . A A . 4 LEU HD11 1 1 13 5102 1 1 4 LEU HD12 H -16.412 0.691 -0.583 1.00 . A A . 4 LEU HD12 1 1 13 5103 1 1 4 LEU HD13 H -15.595 1.625 -1.831 1.00 . A A . 4 LEU HD13 1 1 13 5104 1 1 4 LEU HD21 H -14.931 2.017 1.739 1.00 . A A . 4 LEU HD21 1 1 13 5105 1 1 4 LEU HD22 H -13.506 0.993 1.809 1.00 . A A . 4 LEU HD22 1 1 13 5106 1 1 4 LEU HD23 H -15.104 0.266 1.671 1.00 . A A . 4 LEU HD23 1 1 13 5107 1 1 4 LEU HG H -13.693 1.950 -0.393 1.00 . A A . 4 LEU HG 1 1 13 5108 1 1 4 LEU N N -12.986 -1.480 -2.570 1.00 . A A . 4 LEU N 1 1 13 5109 1 1 4 LEU O O -11.162 0.407 -2.455 1.00 . A A . 4 LEU O 1 1 13 5110 1 1 5 ALA C C -10.771 3.243 -1.735 1.00 . A A . 5 ALA C 1 1 13 5111 1 1 5 ALA CA C -11.753 3.122 -2.893 1.00 . A A . 5 ALA CA 1 1 13 5112 1 1 5 ALA CB C -12.502 4.426 -3.110 1.00 . A A . 5 ALA CB 1 1 13 5113 1 1 5 ALA H H -13.655 2.235 -2.736 1.00 . A A . 5 ALA H 1 1 13 5114 1 1 5 ALA HA H -11.201 2.890 -3.786 1.00 . A A . 5 ALA HA 1 1 13 5115 1 1 5 ALA HB1 H -13.177 4.323 -3.945 1.00 . A A . 5 ALA HB1 1 1 13 5116 1 1 5 ALA HB2 H -11.801 5.220 -3.319 1.00 . A A . 5 ALA HB2 1 1 13 5117 1 1 5 ALA HB3 H -13.066 4.667 -2.222 1.00 . A A . 5 ALA HB3 1 1 13 5118 1 1 5 ALA N N -12.695 2.042 -2.670 1.00 . A A . 5 ALA N 1 1 13 5119 1 1 5 ALA O O -9.561 3.288 -1.923 1.00 . A A . 5 ALA O 1 1 13 5120 1 1 6 TYR C C -9.614 2.118 0.882 1.00 . A A . 6 TYR C 1 1 13 5121 1 1 6 TYR CA C -10.488 3.332 0.650 1.00 . A A . 6 TYR CA 1 1 13 5122 1 1 6 TYR CB C -11.328 3.632 1.870 1.00 . A A . 6 TYR CB 1 1 13 5123 1 1 6 TYR CD1 C -11.172 6.099 2.255 1.00 . A A . 6 TYR CD1 1 1 13 5124 1 1 6 TYR CD2 C -13.219 5.231 1.410 1.00 . A A . 6 TYR CD2 1 1 13 5125 1 1 6 TYR CE1 C -11.687 7.373 2.230 1.00 . A A . 6 TYR CE1 1 1 13 5126 1 1 6 TYR CE2 C -13.747 6.507 1.384 1.00 . A A . 6 TYR CE2 1 1 13 5127 1 1 6 TYR CG C -11.924 5.009 1.850 1.00 . A A . 6 TYR CG 1 1 13 5128 1 1 6 TYR CZ C -12.969 7.575 1.795 1.00 . A A . 6 TYR CZ 1 1 13 5129 1 1 6 TYR H H -12.271 3.162 -0.508 1.00 . A A . 6 TYR H 1 1 13 5130 1 1 6 TYR HA H -9.830 4.172 0.487 1.00 . A A . 6 TYR HA 1 1 13 5131 1 1 6 TYR HB2 H -12.132 2.913 1.903 1.00 . A A . 6 TYR HB2 1 1 13 5132 1 1 6 TYR HB3 H -10.719 3.536 2.756 1.00 . A A . 6 TYR HB3 1 1 13 5133 1 1 6 TYR HD1 H -10.161 5.936 2.599 1.00 . A A . 6 TYR HD1 1 1 13 5134 1 1 6 TYR HD2 H -13.816 4.390 1.090 1.00 . A A . 6 TYR HD2 1 1 13 5135 1 1 6 TYR HE1 H -11.084 8.209 2.549 1.00 . A A . 6 TYR HE1 1 1 13 5136 1 1 6 TYR HE2 H -14.760 6.664 1.040 1.00 . A A . 6 TYR HE2 1 1 13 5137 1 1 6 TYR HH H -14.378 8.850 2.120 1.00 . A A . 6 TYR HH 1 1 13 5138 1 1 6 TYR N N -11.298 3.221 -0.549 1.00 . A A . 6 TYR N 1 1 13 5139 1 1 6 TYR O O -8.548 2.227 1.466 1.00 . A A . 6 TYR O 1 1 13 5140 1 1 6 TYR OH O -13.478 8.852 1.767 1.00 . A A . 6 TYR OH 1 1 13 5141 1 1 7 ASN C C -8.147 -0.220 -0.438 1.00 . A A . 7 ASN C 1 1 13 5142 1 1 7 ASN CA C -9.237 -0.209 0.610 1.00 . A A . 7 ASN CA 1 1 13 5143 1 1 7 ASN CB C -10.033 -1.517 0.563 1.00 . A A . 7 ASN CB 1 1 13 5144 1 1 7 ASN CG C -9.145 -2.719 0.905 1.00 . A A . 7 ASN CG 1 1 13 5145 1 1 7 ASN H H -10.912 0.948 -0.020 1.00 . A A . 7 ASN H 1 1 13 5146 1 1 7 ASN HA H -8.761 -0.120 1.575 1.00 . A A . 7 ASN HA 1 1 13 5147 1 1 7 ASN HB2 H -10.843 -1.472 1.275 1.00 . A A . 7 ASN HB2 1 1 13 5148 1 1 7 ASN HB3 H -10.428 -1.655 -0.433 1.00 . A A . 7 ASN HB3 1 1 13 5149 1 1 7 ASN HD21 H -10.213 -3.894 -0.261 1.00 . A A . 7 ASN HD21 1 1 13 5150 1 1 7 ASN HD22 H -8.860 -4.625 0.546 1.00 . A A . 7 ASN HD22 1 1 13 5151 1 1 7 ASN N N -10.057 0.973 0.453 1.00 . A A . 7 ASN N 1 1 13 5152 1 1 7 ASN ND2 N -9.438 -3.854 0.346 1.00 . A A . 7 ASN ND2 1 1 13 5153 1 1 7 ASN O O -6.975 -0.221 -0.142 1.00 . A A . 7 ASN O 1 1 13 5154 1 1 7 ASN OD1 O -8.210 -2.608 1.680 1.00 . A A . 7 ASN OD1 1 1 13 5155 1 1 8 MET C C -6.844 0.965 -3.022 1.00 . A A . 8 MET C 1 1 13 5156 1 1 8 MET CA C -7.634 -0.299 -2.775 1.00 . A A . 8 MET CA 1 1 13 5157 1 1 8 MET CB C -8.312 -0.798 -4.043 1.00 . A A . 8 MET CB 1 1 13 5158 1 1 8 MET CE C -6.626 -3.445 -2.586 1.00 . A A . 8 MET CE 1 1 13 5159 1 1 8 MET CG C -8.841 -2.238 -3.984 1.00 . A A . 8 MET CG 1 1 13 5160 1 1 8 MET H H -9.518 -0.037 -1.852 1.00 . A A . 8 MET H 1 1 13 5161 1 1 8 MET HA H -6.923 -1.046 -2.463 1.00 . A A . 8 MET HA 1 1 13 5162 1 1 8 MET HB2 H -9.143 -0.145 -4.266 1.00 . A A . 8 MET HB2 1 1 13 5163 1 1 8 MET HB3 H -7.597 -0.735 -4.849 1.00 . A A . 8 MET HB3 1 1 13 5164 1 1 8 MET HE1 H -6.032 -4.343 -2.489 1.00 . A A . 8 MET HE1 1 1 13 5165 1 1 8 MET HE2 H -7.279 -3.349 -1.733 1.00 . A A . 8 MET HE2 1 1 13 5166 1 1 8 MET HE3 H -5.943 -2.610 -2.635 1.00 . A A . 8 MET HE3 1 1 13 5167 1 1 8 MET HG2 H -9.343 -2.370 -3.037 1.00 . A A . 8 MET HG2 1 1 13 5168 1 1 8 MET HG3 H -9.565 -2.367 -4.775 1.00 . A A . 8 MET HG3 1 1 13 5169 1 1 8 MET N N -8.561 -0.185 -1.678 1.00 . A A . 8 MET N 1 1 13 5170 1 1 8 MET O O -5.640 0.959 -2.890 1.00 . A A . 8 MET O 1 1 13 5171 1 1 8 MET SD S -7.568 -3.554 -4.124 1.00 . A A . 8 MET SD 1 1 13 5172 1 1 9 GLY C C -6.137 3.929 -2.548 1.00 . A A . 9 GLY C 1 1 13 5173 1 1 9 GLY CA C -6.855 3.267 -3.698 1.00 . A A . 9 GLY CA 1 1 13 5174 1 1 9 GLY H H -8.508 2.051 -3.271 1.00 . A A . 9 GLY H 1 1 13 5175 1 1 9 GLY HA2 H -6.125 3.038 -4.460 1.00 . A A . 9 GLY HA2 1 1 13 5176 1 1 9 GLY HA3 H -7.578 3.959 -4.103 1.00 . A A . 9 GLY HA3 1 1 13 5177 1 1 9 GLY N N -7.528 2.043 -3.328 1.00 . A A . 9 GLY N 1 1 13 5178 1 1 9 GLY O O -4.987 4.367 -2.698 1.00 . A A . 9 GLY O 1 1 13 5179 1 1 10 HIS C C -4.939 3.896 0.276 1.00 . A A . 10 HIS C 1 1 13 5180 1 1 10 HIS CA C -6.191 4.640 -0.238 1.00 . A A . 10 HIS CA 1 1 13 5181 1 1 10 HIS CB C -7.239 4.855 0.851 1.00 . A A . 10 HIS CB 1 1 13 5182 1 1 10 HIS CD2 C -6.786 5.403 3.321 1.00 . A A . 10 HIS CD2 1 1 13 5183 1 1 10 HIS CE1 C -5.783 7.287 3.042 1.00 . A A . 10 HIS CE1 1 1 13 5184 1 1 10 HIS CG C -6.757 5.658 1.999 1.00 . A A . 10 HIS CG 1 1 13 5185 1 1 10 HIS H H -7.672 3.556 -1.317 1.00 . A A . 10 HIS H 1 1 13 5186 1 1 10 HIS HA H -5.831 5.610 -0.558 1.00 . A A . 10 HIS HA 1 1 13 5187 1 1 10 HIS HB2 H -8.075 5.382 0.414 1.00 . A A . 10 HIS HB2 1 1 13 5188 1 1 10 HIS HB3 H -7.578 3.899 1.223 1.00 . A A . 10 HIS HB3 1 1 13 5189 1 1 10 HIS HD1 H -5.953 7.309 0.999 1.00 . A A . 10 HIS HD1 1 1 13 5190 1 1 10 HIS HD2 H -7.218 4.532 3.791 1.00 . A A . 10 HIS HD2 1 1 13 5191 1 1 10 HIS HE1 H -5.238 8.205 3.183 1.00 . A A . 10 HIS HE1 1 1 13 5192 1 1 10 HIS N N -6.781 3.974 -1.387 1.00 . A A . 10 HIS N 1 1 13 5193 1 1 10 HIS ND1 N -6.124 6.851 1.852 1.00 . A A . 10 HIS ND1 1 1 13 5194 1 1 10 HIS NE2 N -6.162 6.448 3.990 1.00 . A A . 10 HIS NE2 1 1 13 5195 1 1 10 HIS O O -3.909 4.520 0.549 1.00 . A A . 10 HIS O 1 1 13 5196 1 1 11 TYR C C -2.779 1.727 -0.293 1.00 . A A . 11 TYR C 1 1 13 5197 1 1 11 TYR CA C -3.835 1.796 0.787 1.00 . A A . 11 TYR CA 1 1 13 5198 1 1 11 TYR CB C -4.186 0.381 1.216 1.00 . A A . 11 TYR CB 1 1 13 5199 1 1 11 TYR CD1 C -4.071 -0.016 3.703 1.00 . A A . 11 TYR CD1 1 1 13 5200 1 1 11 TYR CD2 C -6.205 0.360 2.736 1.00 . A A . 11 TYR CD2 1 1 13 5201 1 1 11 TYR CE1 C -4.658 -0.167 4.945 1.00 . A A . 11 TYR CE1 1 1 13 5202 1 1 11 TYR CE2 C -6.802 0.215 3.970 1.00 . A A . 11 TYR CE2 1 1 13 5203 1 1 11 TYR CG C -4.839 0.247 2.579 1.00 . A A . 11 TYR CG 1 1 13 5204 1 1 11 TYR CZ C -6.025 -0.048 5.072 1.00 . A A . 11 TYR CZ 1 1 13 5205 1 1 11 TYR H H -5.847 2.116 0.149 1.00 . A A . 11 TYR H 1 1 13 5206 1 1 11 TYR HA H -3.402 2.308 1.634 1.00 . A A . 11 TYR HA 1 1 13 5207 1 1 11 TYR HB2 H -4.856 -0.005 0.466 1.00 . A A . 11 TYR HB2 1 1 13 5208 1 1 11 TYR HB3 H -3.284 -0.214 1.204 1.00 . A A . 11 TYR HB3 1 1 13 5209 1 1 11 TYR HD1 H -2.999 -0.106 3.595 1.00 . A A . 11 TYR HD1 1 1 13 5210 1 1 11 TYR HD2 H -6.807 0.566 1.863 1.00 . A A . 11 TYR HD2 1 1 13 5211 1 1 11 TYR HE1 H -4.049 -0.371 5.811 1.00 . A A . 11 TYR HE1 1 1 13 5212 1 1 11 TYR HE2 H -7.872 0.309 4.077 1.00 . A A . 11 TYR HE2 1 1 13 5213 1 1 11 TYR HH H -6.094 0.305 6.938 1.00 . A A . 11 TYR HH 1 1 13 5214 1 1 11 TYR N N -5.008 2.577 0.365 1.00 . A A . 11 TYR N 1 1 13 5215 1 1 11 TYR O O -1.602 1.650 0.019 1.00 . A A . 11 TYR O 1 1 13 5216 1 1 11 TYR OH O -6.618 -0.202 6.306 1.00 . A A . 11 TYR OH 1 1 13 5217 1 1 12 ALA C C -1.199 2.702 -2.635 1.00 . A A . 12 ALA C 1 1 13 5218 1 1 12 ALA CA C -2.272 1.654 -2.697 1.00 . A A . 12 ALA CA 1 1 13 5219 1 1 12 ALA CB C -2.995 1.752 -4.024 1.00 . A A . 12 ALA CB 1 1 13 5220 1 1 12 ALA H H -4.163 1.846 -1.746 1.00 . A A . 12 ALA H 1 1 13 5221 1 1 12 ALA HA H -1.800 0.684 -2.640 1.00 . A A . 12 ALA HA 1 1 13 5222 1 1 12 ALA HB1 H -3.765 0.997 -4.073 1.00 . A A . 12 ALA HB1 1 1 13 5223 1 1 12 ALA HB2 H -2.292 1.600 -4.828 1.00 . A A . 12 ALA HB2 1 1 13 5224 1 1 12 ALA HB3 H -3.445 2.730 -4.112 1.00 . A A . 12 ALA HB3 1 1 13 5225 1 1 12 ALA N N -3.200 1.765 -1.562 1.00 . A A . 12 ALA N 1 1 13 5226 1 1 12 ALA O O -0.027 2.403 -2.834 1.00 . A A . 12 ALA O 1 1 13 5227 1 1 13 GLY C C 0.337 4.741 -1.078 1.00 . A A . 13 GLY C 1 1 13 5228 1 1 13 GLY CA C -0.636 4.979 -2.218 1.00 . A A . 13 GLY CA 1 1 13 5229 1 1 13 GLY H H -2.552 4.082 -2.187 1.00 . A A . 13 GLY H 1 1 13 5230 1 1 13 GLY HA2 H -0.086 5.051 -3.145 1.00 . A A . 13 GLY HA2 1 1 13 5231 1 1 13 GLY HA3 H -1.156 5.909 -2.044 1.00 . A A . 13 GLY HA3 1 1 13 5232 1 1 13 GLY N N -1.594 3.916 -2.330 1.00 . A A . 13 GLY N 1 1 13 5233 1 1 13 GLY O O 1.552 4.774 -1.273 1.00 . A A . 13 GLY O 1 1 13 5234 1 1 14 LYS C C 1.489 3.037 1.305 1.00 . A A . 14 LYS C 1 1 13 5235 1 1 14 LYS CA C 0.611 4.268 1.288 1.00 . A A . 14 LYS CA 1 1 13 5236 1 1 14 LYS CB C -0.238 4.359 2.571 1.00 . A A . 14 LYS CB 1 1 13 5237 1 1 14 LYS CD C -1.554 6.440 1.922 1.00 . A A . 14 LYS CD 1 1 13 5238 1 1 14 LYS CE C -1.921 7.854 2.312 1.00 . A A . 14 LYS CE 1 1 13 5239 1 1 14 LYS CG C -0.672 5.780 2.966 1.00 . A A . 14 LYS CG 1 1 13 5240 1 1 14 LYS H H -1.145 4.129 0.097 1.00 . A A . 14 LYS H 1 1 13 5241 1 1 14 LYS HA H 1.276 5.119 1.274 1.00 . A A . 14 LYS HA 1 1 13 5242 1 1 14 LYS HB2 H -1.127 3.763 2.433 1.00 . A A . 14 LYS HB2 1 1 13 5243 1 1 14 LYS HB3 H 0.333 3.936 3.383 1.00 . A A . 14 LYS HB3 1 1 13 5244 1 1 14 LYS HD2 H -1.008 6.457 0.993 1.00 . A A . 14 LYS HD2 1 1 13 5245 1 1 14 LYS HD3 H -2.453 5.854 1.799 1.00 . A A . 14 LYS HD3 1 1 13 5246 1 1 14 LYS HE2 H -2.522 7.839 3.210 1.00 . A A . 14 LYS HE2 1 1 13 5247 1 1 14 LYS HE3 H -1.009 8.403 2.497 1.00 . A A . 14 LYS HE3 1 1 13 5248 1 1 14 LYS HG2 H -1.203 5.753 3.905 1.00 . A A . 14 LYS HG2 1 1 13 5249 1 1 14 LYS HG3 H 0.224 6.371 3.089 1.00 . A A . 14 LYS HG3 1 1 13 5250 1 1 14 LYS HZ1 H -2.984 9.474 1.561 1.00 . A A . 14 LYS HZ1 1 1 13 5251 1 1 14 LYS HZ2 H -3.501 7.998 0.949 1.00 . A A . 14 LYS HZ2 1 1 13 5252 1 1 14 LYS HZ3 H -2.072 8.688 0.411 1.00 . A A . 14 LYS HZ3 1 1 13 5253 1 1 14 LYS N N -0.194 4.378 0.076 1.00 . A A . 14 LYS N 1 1 13 5254 1 1 14 LYS NZ N -2.668 8.534 1.251 1.00 . A A . 14 LYS NZ 1 1 13 5255 1 1 14 LYS O O 2.654 3.106 1.691 1.00 . A A . 14 LYS O 1 1 13 5256 1 1 15 ALA C C 2.833 0.724 -0.141 1.00 . A A . 15 ALA C 1 1 13 5257 1 1 15 ALA CA C 1.708 0.692 0.868 1.00 . A A . 15 ALA CA 1 1 13 5258 1 1 15 ALA CB C 0.807 -0.505 0.631 1.00 . A A . 15 ALA CB 1 1 13 5259 1 1 15 ALA H H 0.038 1.942 0.505 1.00 . A A . 15 ALA H 1 1 13 5260 1 1 15 ALA HA H 2.142 0.605 1.854 1.00 . A A . 15 ALA HA 1 1 13 5261 1 1 15 ALA HB1 H 1.408 -1.399 0.697 1.00 . A A . 15 ALA HB1 1 1 13 5262 1 1 15 ALA HB2 H 0.371 -0.432 -0.355 1.00 . A A . 15 ALA HB2 1 1 13 5263 1 1 15 ALA HB3 H 0.027 -0.531 1.377 1.00 . A A . 15 ALA HB3 1 1 13 5264 1 1 15 ALA N N 0.961 1.931 0.854 1.00 . A A . 15 ALA N 1 1 13 5265 1 1 15 ALA O O 3.891 0.185 0.099 1.00 . A A . 15 ALA O 1 1 13 5266 1 1 16 THR C C 4.720 2.440 -1.886 1.00 . A A . 16 THR C 1 1 13 5267 1 1 16 THR CA C 3.607 1.454 -2.268 1.00 . A A . 16 THR CA 1 1 13 5268 1 1 16 THR CB C 2.989 1.800 -3.629 1.00 . A A . 16 THR CB 1 1 13 5269 1 1 16 THR CG2 C 3.998 1.591 -4.744 1.00 . A A . 16 THR CG2 1 1 13 5270 1 1 16 THR H H 1.749 1.817 -1.373 1.00 . A A . 16 THR H 1 1 13 5271 1 1 16 THR HA H 4.054 0.474 -2.336 1.00 . A A . 16 THR HA 1 1 13 5272 1 1 16 THR HB H 2.657 2.828 -3.625 1.00 . A A . 16 THR HB 1 1 13 5273 1 1 16 THR HG1 H 1.081 1.382 -3.567 1.00 . A A . 16 THR HG1 1 1 13 5274 1 1 16 THR HG21 H 4.843 2.242 -4.582 1.00 . A A . 16 THR HG21 1 1 13 5275 1 1 16 THR HG22 H 3.533 1.802 -5.696 1.00 . A A . 16 THR HG22 1 1 13 5276 1 1 16 THR HG23 H 4.329 0.563 -4.723 1.00 . A A . 16 THR HG23 1 1 13 5277 1 1 16 THR N N 2.611 1.376 -1.244 1.00 . A A . 16 THR N 1 1 13 5278 1 1 16 THR O O 5.888 2.183 -2.149 1.00 . A A . 16 THR O 1 1 13 5279 1 1 16 THR OG1 O 1.879 0.918 -3.858 1.00 . A A . 16 THR OG1 1 1 13 5280 1 1 17 ILE C C 6.116 4.006 0.421 1.00 . A A . 17 ILE C 1 1 13 5281 1 1 17 ILE CA C 5.416 4.482 -0.869 1.00 . A A . 17 ILE CA 1 1 13 5282 1 1 17 ILE CB C 4.960 5.994 -0.772 1.00 . A A . 17 ILE CB 1 1 13 5283 1 1 17 ILE CD1 C 7.218 6.941 -1.521 1.00 . A A . 17 ILE CD1 1 1 13 5284 1 1 17 ILE CG1 C 6.148 6.916 -0.447 1.00 . A A . 17 ILE CG1 1 1 13 5285 1 1 17 ILE CG2 C 3.838 6.212 0.229 1.00 . A A . 17 ILE CG2 1 1 13 5286 1 1 17 ILE H H 3.426 3.775 -1.115 1.00 . A A . 17 ILE H 1 1 13 5287 1 1 17 ILE HA H 6.159 4.400 -1.650 1.00 . A A . 17 ILE HA 1 1 13 5288 1 1 17 ILE HB H 4.576 6.272 -1.743 1.00 . A A . 17 ILE HB 1 1 13 5289 1 1 17 ILE HD11 H 7.632 5.951 -1.643 1.00 . A A . 17 ILE HD11 1 1 13 5290 1 1 17 ILE HD12 H 8.003 7.623 -1.232 1.00 . A A . 17 ILE HD12 1 1 13 5291 1 1 17 ILE HD13 H 6.778 7.262 -2.453 1.00 . A A . 17 ILE HD13 1 1 13 5292 1 1 17 ILE HG12 H 5.794 7.925 -0.295 1.00 . A A . 17 ILE HG12 1 1 13 5293 1 1 17 ILE HG13 H 6.608 6.570 0.467 1.00 . A A . 17 ILE HG13 1 1 13 5294 1 1 17 ILE HG21 H 3.580 7.260 0.262 1.00 . A A . 17 ILE HG21 1 1 13 5295 1 1 17 ILE HG22 H 4.161 5.896 1.210 1.00 . A A . 17 ILE HG22 1 1 13 5296 1 1 17 ILE HG23 H 2.973 5.640 -0.072 1.00 . A A . 17 ILE HG23 1 1 13 5297 1 1 17 ILE N N 4.372 3.567 -1.277 1.00 . A A . 17 ILE N 1 1 13 5298 1 1 17 ILE O O 7.310 3.837 0.435 1.00 . A A . 17 ILE O 1 1 13 5299 1 1 18 PHE C C 6.289 1.940 2.860 1.00 . A A . 18 PHE C 1 1 13 5300 1 1 18 PHE CA C 5.887 3.396 2.773 1.00 . A A . 18 PHE CA 1 1 13 5301 1 1 18 PHE CB C 4.919 3.757 3.890 1.00 . A A . 18 PHE CB 1 1 13 5302 1 1 18 PHE CD1 C 5.555 6.166 3.865 1.00 . A A . 18 PHE CD1 1 1 13 5303 1 1 18 PHE CD2 C 3.244 5.610 3.952 1.00 . A A . 18 PHE CD2 1 1 13 5304 1 1 18 PHE CE1 C 5.242 7.507 3.882 1.00 . A A . 18 PHE CE1 1 1 13 5305 1 1 18 PHE CE2 C 2.920 6.953 3.967 1.00 . A A . 18 PHE CE2 1 1 13 5306 1 1 18 PHE CG C 4.562 5.206 3.901 1.00 . A A . 18 PHE CG 1 1 13 5307 1 1 18 PHE CZ C 3.923 7.903 3.932 1.00 . A A . 18 PHE CZ 1 1 13 5308 1 1 18 PHE H H 4.370 3.825 1.377 1.00 . A A . 18 PHE H 1 1 13 5309 1 1 18 PHE HA H 6.785 3.981 2.914 1.00 . A A . 18 PHE HA 1 1 13 5310 1 1 18 PHE HB2 H 4.015 3.177 3.766 1.00 . A A . 18 PHE HB2 1 1 13 5311 1 1 18 PHE HB3 H 5.381 3.513 4.835 1.00 . A A . 18 PHE HB3 1 1 13 5312 1 1 18 PHE HD1 H 6.585 5.837 3.818 1.00 . A A . 18 PHE HD1 1 1 13 5313 1 1 18 PHE HD2 H 2.469 4.858 3.975 1.00 . A A . 18 PHE HD2 1 1 13 5314 1 1 18 PHE HE1 H 6.027 8.248 3.854 1.00 . A A . 18 PHE HE1 1 1 13 5315 1 1 18 PHE HE2 H 1.887 7.260 4.006 1.00 . A A . 18 PHE HE2 1 1 13 5316 1 1 18 PHE HZ H 3.674 8.954 3.949 1.00 . A A . 18 PHE HZ 1 1 13 5317 1 1 18 PHE N N 5.347 3.771 1.470 1.00 . A A . 18 PHE N 1 1 13 5318 1 1 18 PHE O O 7.448 1.627 3.088 1.00 . A A . 18 PHE O 1 1 13 5319 1 1 19 GLY C C 6.582 -0.886 1.872 1.00 . A A . 19 GLY C 1 1 13 5320 1 1 19 GLY CA C 5.527 -0.379 2.813 1.00 . A A . 19 GLY CA 1 1 13 5321 1 1 19 GLY H H 4.420 1.392 2.431 1.00 . A A . 19 GLY H 1 1 13 5322 1 1 19 GLY HA2 H 5.842 -0.593 3.824 1.00 . A A . 19 GLY HA2 1 1 13 5323 1 1 19 GLY HA3 H 4.603 -0.903 2.616 1.00 . A A . 19 GLY HA3 1 1 13 5324 1 1 19 GLY N N 5.308 1.058 2.677 1.00 . A A . 19 GLY N 1 1 13 5325 1 1 19 GLY O O 7.553 -1.522 2.294 1.00 . A A . 19 GLY O 1 1 13 5326 1 1 20 LEU C C 8.757 -0.379 -0.163 1.00 . A A . 20 LEU C 1 1 13 5327 1 1 20 LEU CA C 7.396 -0.965 -0.396 1.00 . A A . 20 LEU CA 1 1 13 5328 1 1 20 LEU CB C 6.947 -0.733 -1.817 1.00 . A A . 20 LEU CB 1 1 13 5329 1 1 20 LEU CD1 C 5.005 -2.327 -1.964 1.00 . A A . 20 LEU CD1 1 1 13 5330 1 1 20 LEU CD2 C 6.360 -1.750 -3.989 1.00 . A A . 20 LEU CD2 1 1 13 5331 1 1 20 LEU CG C 6.372 -1.947 -2.505 1.00 . A A . 20 LEU CG 1 1 13 5332 1 1 20 LEU H H 5.591 -0.109 0.342 1.00 . A A . 20 LEU H 1 1 13 5333 1 1 20 LEU HA H 7.508 -2.031 -0.259 1.00 . A A . 20 LEU HA 1 1 13 5334 1 1 20 LEU HB2 H 6.184 0.033 -1.808 1.00 . A A . 20 LEU HB2 1 1 13 5335 1 1 20 LEU HB3 H 7.794 -0.387 -2.390 1.00 . A A . 20 LEU HB3 1 1 13 5336 1 1 20 LEU HD11 H 4.670 -3.247 -2.419 1.00 . A A . 20 LEU HD11 1 1 13 5337 1 1 20 LEU HD12 H 4.303 -1.546 -2.216 1.00 . A A . 20 LEU HD12 1 1 13 5338 1 1 20 LEU HD13 H 5.066 -2.446 -0.892 1.00 . A A . 20 LEU HD13 1 1 13 5339 1 1 20 LEU HD21 H 5.797 -0.863 -4.236 1.00 . A A . 20 LEU HD21 1 1 13 5340 1 1 20 LEU HD22 H 5.923 -2.615 -4.464 1.00 . A A . 20 LEU HD22 1 1 13 5341 1 1 20 LEU HD23 H 7.386 -1.625 -4.298 1.00 . A A . 20 LEU HD23 1 1 13 5342 1 1 20 LEU HG H 7.073 -2.738 -2.283 1.00 . A A . 20 LEU HG 1 1 13 5343 1 1 20 LEU N N 6.420 -0.580 0.601 1.00 . A A . 20 LEU N 1 1 13 5344 1 1 20 LEU O O 9.747 -0.989 -0.520 1.00 . A A . 20 LEU O 1 1 13 5345 1 1 21 ALA C C 10.906 0.509 1.705 1.00 . A A . 21 ALA C 1 1 13 5346 1 1 21 ALA CA C 10.100 1.402 0.771 1.00 . A A . 21 ALA CA 1 1 13 5347 1 1 21 ALA CB C 9.943 2.776 1.384 1.00 . A A . 21 ALA CB 1 1 13 5348 1 1 21 ALA H H 7.973 1.242 0.639 1.00 . A A . 21 ALA H 1 1 13 5349 1 1 21 ALA HA H 10.658 1.499 -0.150 1.00 . A A . 21 ALA HA 1 1 13 5350 1 1 21 ALA HB1 H 9.436 2.700 2.335 1.00 . A A . 21 ALA HB1 1 1 13 5351 1 1 21 ALA HB2 H 9.367 3.406 0.721 1.00 . A A . 21 ALA HB2 1 1 13 5352 1 1 21 ALA HB3 H 10.922 3.208 1.531 1.00 . A A . 21 ALA HB3 1 1 13 5353 1 1 21 ALA N N 8.817 0.790 0.431 1.00 . A A . 21 ALA N 1 1 13 5354 1 1 21 ALA O O 12.114 0.569 1.713 1.00 . A A . 21 ALA O 1 1 13 5355 1 1 22 ALA C C 11.627 -2.343 2.594 1.00 . A A . 22 ALA C 1 1 13 5356 1 1 22 ALA CA C 10.962 -1.213 3.365 1.00 . A A . 22 ALA CA 1 1 13 5357 1 1 22 ALA CB C 10.058 -1.770 4.437 1.00 . A A . 22 ALA CB 1 1 13 5358 1 1 22 ALA H H 9.264 -0.373 2.436 1.00 . A A . 22 ALA H 1 1 13 5359 1 1 22 ALA HA H 11.739 -0.631 3.835 1.00 . A A . 22 ALA HA 1 1 13 5360 1 1 22 ALA HB1 H 9.294 -2.385 3.984 1.00 . A A . 22 ALA HB1 1 1 13 5361 1 1 22 ALA HB2 H 9.607 -0.961 4.991 1.00 . A A . 22 ALA HB2 1 1 13 5362 1 1 22 ALA HB3 H 10.666 -2.377 5.092 1.00 . A A . 22 ALA HB3 1 1 13 5363 1 1 22 ALA N N 10.248 -0.329 2.473 1.00 . A A . 22 ALA N 1 1 13 5364 1 1 22 ALA O O 12.686 -2.816 2.973 1.00 . A A . 22 ALA O 1 1 13 5365 1 1 23 TRP C C 12.464 -3.339 -0.356 1.00 . A A . 23 TRP C 1 1 13 5366 1 1 23 TRP CA C 11.578 -3.856 0.769 1.00 . A A . 23 TRP CA 1 1 13 5367 1 1 23 TRP CB C 10.522 -4.831 0.275 1.00 . A A . 23 TRP CB 1 1 13 5368 1 1 23 TRP CD1 C 10.940 -7.279 -0.382 1.00 . A A . 23 TRP CD1 1 1 13 5369 1 1 23 TRP CD2 C 11.447 -6.803 1.747 1.00 . A A . 23 TRP CD2 1 1 13 5370 1 1 23 TRP CE2 C 11.727 -8.159 1.519 1.00 . A A . 23 TRP CE2 1 1 13 5371 1 1 23 TRP CE3 C 11.696 -6.269 3.019 1.00 . A A . 23 TRP CE3 1 1 13 5372 1 1 23 TRP CG C 10.932 -6.259 0.517 1.00 . A A . 23 TRP CG 1 1 13 5373 1 1 23 TRP CH2 C 12.477 -8.432 3.742 1.00 . A A . 23 TRP CH2 1 1 13 5374 1 1 23 TRP CZ2 C 12.242 -8.991 2.513 1.00 . A A . 23 TRP CZ2 1 1 13 5375 1 1 23 TRP CZ3 C 12.205 -7.087 3.994 1.00 . A A . 23 TRP CZ3 1 1 13 5376 1 1 23 TRP H H 10.147 -2.384 1.275 1.00 . A A . 23 TRP H 1 1 13 5377 1 1 23 TRP HA H 12.232 -4.382 1.449 1.00 . A A . 23 TRP HA 1 1 13 5378 1 1 23 TRP HB2 H 9.571 -4.621 0.742 1.00 . A A . 23 TRP HB2 1 1 13 5379 1 1 23 TRP HB3 H 10.427 -4.691 -0.791 1.00 . A A . 23 TRP HB3 1 1 13 5380 1 1 23 TRP HD1 H 10.610 -7.182 -1.405 1.00 . A A . 23 TRP HD1 1 1 13 5381 1 1 23 TRP HE1 H 11.500 -9.314 -0.209 1.00 . A A . 23 TRP HE1 1 1 13 5382 1 1 23 TRP HE3 H 11.497 -5.232 3.244 1.00 . A A . 23 TRP HE3 1 1 13 5383 1 1 23 TRP HH2 H 12.876 -9.029 4.549 1.00 . A A . 23 TRP HH2 1 1 13 5384 1 1 23 TRP HZ2 H 12.459 -10.035 2.336 1.00 . A A . 23 TRP HZ2 1 1 13 5385 1 1 23 TRP HZ3 H 12.402 -6.678 4.974 1.00 . A A . 23 TRP HZ3 1 1 13 5386 1 1 23 TRP N N 11.000 -2.789 1.538 1.00 . A A . 23 TRP N 1 1 13 5387 1 1 23 TRP NE1 N 11.401 -8.432 0.218 1.00 . A A . 23 TRP NE1 1 1 13 5388 1 1 23 TRP O O 13.483 -3.905 -0.656 1.00 . A A . 23 TRP O 1 1 13 5389 1 1 24 ALA C C 13.971 -0.839 -1.512 1.00 . A A . 24 ALA C 1 1 13 5390 1 1 24 ALA CA C 12.809 -1.689 -2.058 1.00 . A A . 24 ALA CA 1 1 13 5391 1 1 24 ALA CB C 11.911 -0.844 -2.945 1.00 . A A . 24 ALA CB 1 1 13 5392 1 1 24 ALA H H 11.131 -1.942 -0.819 1.00 . A A . 24 ALA H 1 1 13 5393 1 1 24 ALA HA H 13.212 -2.487 -2.664 1.00 . A A . 24 ALA HA 1 1 13 5394 1 1 24 ALA HB1 H 12.468 -0.484 -3.797 1.00 . A A . 24 ALA HB1 1 1 13 5395 1 1 24 ALA HB2 H 11.549 -0.004 -2.369 1.00 . A A . 24 ALA HB2 1 1 13 5396 1 1 24 ALA HB3 H 11.071 -1.436 -3.276 1.00 . A A . 24 ALA HB3 1 1 13 5397 1 1 24 ALA N N 12.030 -2.297 -1.008 1.00 . A A . 24 ALA N 1 1 13 5398 1 1 24 ALA O O 15.115 -1.044 -1.852 1.00 . A A . 24 ALA O 1 1 13 5399 1 1 25 LEU C C 15.439 0.653 0.973 1.00 . A A . 25 LEU C 1 1 13 5400 1 1 25 LEU CA C 14.610 1.129 -0.232 1.00 . A A . 25 LEU CA 1 1 13 5401 1 1 25 LEU CB C 13.898 2.436 0.095 1.00 . A A . 25 LEU CB 1 1 13 5402 1 1 25 LEU CD1 C 15.513 4.009 -1.022 1.00 . A A . 25 LEU CD1 1 1 13 5403 1 1 25 LEU CD2 C 13.940 4.863 0.720 1.00 . A A . 25 LEU CD2 1 1 13 5404 1 1 25 LEU CG C 14.779 3.679 0.274 1.00 . A A . 25 LEU CG 1 1 13 5405 1 1 25 LEU H H 12.712 0.198 -0.389 1.00 . A A . 25 LEU H 1 1 13 5406 1 1 25 LEU HA H 15.282 1.322 -1.055 1.00 . A A . 25 LEU HA 1 1 13 5407 1 1 25 LEU HB2 H 13.158 2.595 -0.673 1.00 . A A . 25 LEU HB2 1 1 13 5408 1 1 25 LEU HB3 H 13.357 2.271 1.016 1.00 . A A . 25 LEU HB3 1 1 13 5409 1 1 25 LEU HD11 H 16.157 3.192 -1.310 1.00 . A A . 25 LEU HD11 1 1 13 5410 1 1 25 LEU HD12 H 16.111 4.898 -0.887 1.00 . A A . 25 LEU HD12 1 1 13 5411 1 1 25 LEU HD13 H 14.785 4.182 -1.800 1.00 . A A . 25 LEU HD13 1 1 13 5412 1 1 25 LEU HD21 H 13.455 4.642 1.660 1.00 . A A . 25 LEU HD21 1 1 13 5413 1 1 25 LEU HD22 H 13.193 5.069 -0.031 1.00 . A A . 25 LEU HD22 1 1 13 5414 1 1 25 LEU HD23 H 14.573 5.730 0.836 1.00 . A A . 25 LEU HD23 1 1 13 5415 1 1 25 LEU HG H 15.519 3.475 1.033 1.00 . A A . 25 LEU HG 1 1 13 5416 1 1 25 LEU N N 13.637 0.144 -0.706 1.00 . A A . 25 LEU N 1 1 13 5417 1 1 25 LEU O O 16.593 1.020 1.119 1.00 . A A . 25 LEU O 1 1 13 5418 1 1 26 LEU C C 16.206 -1.858 2.934 1.00 . A A . 26 LEU C 1 1 13 5419 1 1 26 LEU CA C 15.470 -0.535 3.087 1.00 . A A . 26 LEU CA 1 1 13 5420 1 1 26 LEU CB C 14.418 -0.627 4.194 1.00 . A A . 26 LEU CB 1 1 13 5421 1 1 26 LEU CD1 C 15.797 -0.082 6.230 1.00 . A A . 26 LEU CD1 1 1 13 5422 1 1 26 LEU CD2 C 13.707 -1.477 6.442 1.00 . A A . 26 LEU CD2 1 1 13 5423 1 1 26 LEU CG C 14.888 -1.102 5.561 1.00 . A A . 26 LEU CG 1 1 13 5424 1 1 26 LEU H H 13.909 -0.409 1.671 1.00 . A A . 26 LEU H 1 1 13 5425 1 1 26 LEU HA H 16.184 0.223 3.353 1.00 . A A . 26 LEU HA 1 1 13 5426 1 1 26 LEU HB2 H 13.952 0.339 4.314 1.00 . A A . 26 LEU HB2 1 1 13 5427 1 1 26 LEU HB3 H 13.669 -1.320 3.844 1.00 . A A . 26 LEU HB3 1 1 13 5428 1 1 26 LEU HD11 H 16.116 -0.451 7.194 1.00 . A A . 26 LEU HD11 1 1 13 5429 1 1 26 LEU HD12 H 15.251 0.837 6.375 1.00 . A A . 26 LEU HD12 1 1 13 5430 1 1 26 LEU HD13 H 16.660 0.099 5.608 1.00 . A A . 26 LEU HD13 1 1 13 5431 1 1 26 LEU HD21 H 13.159 -2.290 5.986 1.00 . A A . 26 LEU HD21 1 1 13 5432 1 1 26 LEU HD22 H 13.050 -0.630 6.563 1.00 . A A . 26 LEU HD22 1 1 13 5433 1 1 26 LEU HD23 H 14.074 -1.794 7.407 1.00 . A A . 26 LEU HD23 1 1 13 5434 1 1 26 LEU HG H 15.470 -1.994 5.384 1.00 . A A . 26 LEU HG 1 1 13 5435 1 1 26 LEU N N 14.828 -0.117 1.845 1.00 . A A . 26 LEU N 1 1 13 5436 1 1 26 LEU O O 17.051 -2.212 3.763 1.00 . A A . 26 LEU O 1 1 13 5437 1 1 27 ALA C C 17.609 -3.776 0.632 1.00 . A A . 27 ALA C 1 1 13 5438 1 1 27 ALA CA C 16.523 -3.858 1.695 1.00 . A A . 27 ALA CA 1 1 13 5439 1 1 27 ALA CB C 15.493 -4.929 1.374 1.00 . A A . 27 ALA CB 1 1 13 5440 1 1 27 ALA H H 15.240 -2.190 1.287 1.00 . A A . 27 ALA H 1 1 13 5441 1 1 27 ALA HA H 17.005 -4.122 2.625 1.00 . A A . 27 ALA HA 1 1 13 5442 1 1 27 ALA HB1 H 15.967 -5.897 1.332 1.00 . A A . 27 ALA HB1 1 1 13 5443 1 1 27 ALA HB2 H 15.037 -4.712 0.420 1.00 . A A . 27 ALA HB2 1 1 13 5444 1 1 27 ALA HB3 H 14.726 -4.935 2.134 1.00 . A A . 27 ALA HB3 1 1 13 5445 1 1 27 ALA N N 15.893 -2.567 1.911 1.00 . A A . 27 ALA N 1 1 13 5446 1 1 27 ALA O O 17.314 -3.990 -0.558 1.00 . A A . 27 ALA O 1 1 13 5447 1 1 27 ALA OXT O 18.765 -3.484 0.996 1.00 . A A . 27 ALA OXT 1 1 14 5448 1 1 1 ARG C C -14.503 -7.121 2.836 1.00 . A A . 1 ARG C 1 1 14 5449 1 1 1 ARG CA C -13.553 -7.987 3.609 1.00 . A A . 1 ARG CA 1 1 14 5450 1 1 1 ARG CB C -12.255 -8.150 2.803 1.00 . A A . 1 ARG CB 1 1 14 5451 1 1 1 ARG CD C -9.943 -9.086 2.614 1.00 . A A . 1 ARG CD 1 1 14 5452 1 1 1 ARG CG C -11.136 -8.856 3.529 1.00 . A A . 1 ARG CG 1 1 14 5453 1 1 1 ARG CZ C -7.825 -10.407 2.730 1.00 . A A . 1 ARG CZ 1 1 14 5454 1 1 1 ARG H1 H -13.568 -9.934 4.358 1.00 . A A . 1 ARG H1 1 1 14 5455 1 1 1 ARG H2 H -14.470 -9.687 2.930 1.00 . A A . 1 ARG H2 1 1 14 5456 1 1 1 ARG H3 H -15.050 -9.124 4.399 1.00 . A A . 1 ARG H3 1 1 14 5457 1 1 1 ARG HA H -13.338 -7.520 4.558 1.00 . A A . 1 ARG HA 1 1 14 5458 1 1 1 ARG HB2 H -12.475 -8.714 1.911 1.00 . A A . 1 ARG HB2 1 1 14 5459 1 1 1 ARG HB3 H -11.902 -7.174 2.507 1.00 . A A . 1 ARG HB3 1 1 14 5460 1 1 1 ARG HD2 H -10.254 -9.752 1.824 1.00 . A A . 1 ARG HD2 1 1 14 5461 1 1 1 ARG HD3 H -9.639 -8.142 2.188 1.00 . A A . 1 ARG HD3 1 1 14 5462 1 1 1 ARG HE H -8.775 -9.490 4.289 1.00 . A A . 1 ARG HE 1 1 14 5463 1 1 1 ARG HG2 H -10.826 -8.250 4.368 1.00 . A A . 1 ARG HG2 1 1 14 5464 1 1 1 ARG HG3 H -11.492 -9.810 3.889 1.00 . A A . 1 ARG HG3 1 1 14 5465 1 1 1 ARG HH11 H -8.713 -10.489 0.884 1.00 . A A . 1 ARG HH11 1 1 14 5466 1 1 1 ARG HH12 H -7.218 -11.273 0.963 1.00 . A A . 1 ARG HH12 1 1 14 5467 1 1 1 ARG HH21 H -6.678 -10.567 4.402 1.00 . A A . 1 ARG HH21 1 1 14 5468 1 1 1 ARG HH22 H -6.008 -11.316 3.035 1.00 . A A . 1 ARG HH22 1 1 14 5469 1 1 1 ARG N N -14.186 -9.278 3.842 1.00 . A A . 1 ARG N 1 1 14 5470 1 1 1 ARG NE N -8.803 -9.689 3.322 1.00 . A A . 1 ARG NE 1 1 14 5471 1 1 1 ARG NH1 N -7.924 -10.747 1.446 1.00 . A A . 1 ARG NH1 1 1 14 5472 1 1 1 ARG NH2 N -6.773 -10.798 3.430 1.00 . A A . 1 ARG NH2 1 1 14 5473 1 1 1 ARG O O -15.559 -7.587 2.412 1.00 . A A . 1 ARG O 1 1 14 5474 1 1 2 ASN C C -13.960 -4.032 1.193 1.00 . A A . 2 ASN C 1 1 14 5475 1 1 2 ASN CA C -14.920 -4.964 1.865 1.00 . A A . 2 ASN CA 1 1 14 5476 1 1 2 ASN CB C -15.948 -4.170 2.710 1.00 . A A . 2 ASN CB 1 1 14 5477 1 1 2 ASN CG C -15.347 -3.210 3.735 1.00 . A A . 2 ASN CG 1 1 14 5478 1 1 2 ASN H H -13.325 -5.532 3.075 1.00 . A A . 2 ASN H 1 1 14 5479 1 1 2 ASN HA H -15.430 -5.541 1.108 1.00 . A A . 2 ASN HA 1 1 14 5480 1 1 2 ASN HB2 H -16.554 -3.577 2.045 1.00 . A A . 2 ASN HB2 1 1 14 5481 1 1 2 ASN HB3 H -16.578 -4.879 3.223 1.00 . A A . 2 ASN HB3 1 1 14 5482 1 1 2 ASN HD21 H -15.429 -1.679 2.448 1.00 . A A . 2 ASN HD21 1 1 14 5483 1 1 2 ASN HD22 H -14.808 -1.326 4.018 1.00 . A A . 2 ASN HD22 1 1 14 5484 1 1 2 ASN N N -14.149 -5.884 2.665 1.00 . A A . 2 ASN N 1 1 14 5485 1 1 2 ASN ND2 N -15.176 -1.957 3.360 1.00 . A A . 2 ASN ND2 1 1 14 5486 1 1 2 ASN O O -12.756 -4.118 1.436 1.00 . A A . 2 ASN O 1 1 14 5487 1 1 2 ASN OD1 O -15.080 -3.592 4.870 1.00 . A A . 2 ASN OD1 1 1 14 5488 1 1 3 LYS C C -14.018 -0.830 0.134 1.00 . A A . 3 LYS C 1 1 14 5489 1 1 3 LYS CA C -13.593 -2.229 -0.285 1.00 . A A . 3 LYS CA 1 1 14 5490 1 1 3 LYS CB C -13.721 -2.378 -1.800 1.00 . A A . 3 LYS CB 1 1 14 5491 1 1 3 LYS CD C -13.142 -1.313 -4.001 1.00 . A A . 3 LYS CD 1 1 14 5492 1 1 3 LYS CE C -14.303 -0.319 -3.962 1.00 . A A . 3 LYS CE 1 1 14 5493 1 1 3 LYS CG C -12.670 -1.601 -2.602 1.00 . A A . 3 LYS CG 1 1 14 5494 1 1 3 LYS H H -15.419 -3.109 0.225 1.00 . A A . 3 LYS H 1 1 14 5495 1 1 3 LYS HA H -12.572 -2.406 0.015 1.00 . A A . 3 LYS HA 1 1 14 5496 1 1 3 LYS HB2 H -13.630 -3.426 -2.048 1.00 . A A . 3 LYS HB2 1 1 14 5497 1 1 3 LYS HB3 H -14.705 -2.046 -2.091 1.00 . A A . 3 LYS HB3 1 1 14 5498 1 1 3 LYS HD2 H -12.317 -0.902 -4.567 1.00 . A A . 3 LYS HD2 1 1 14 5499 1 1 3 LYS HD3 H -13.469 -2.237 -4.455 1.00 . A A . 3 LYS HD3 1 1 14 5500 1 1 3 LYS HE2 H -15.093 -0.719 -3.344 1.00 . A A . 3 LYS HE2 1 1 14 5501 1 1 3 LYS HE3 H -13.955 0.590 -3.493 1.00 . A A . 3 LYS HE3 1 1 14 5502 1 1 3 LYS HG2 H -12.482 -0.654 -2.120 1.00 . A A . 3 LYS HG2 1 1 14 5503 1 1 3 LYS HG3 H -11.755 -2.173 -2.647 1.00 . A A . 3 LYS HG3 1 1 14 5504 1 1 3 LYS HZ1 H -14.122 0.358 -5.935 1.00 . A A . 3 LYS HZ1 1 1 14 5505 1 1 3 LYS HZ2 H -15.596 0.695 -5.216 1.00 . A A . 3 LYS HZ2 1 1 14 5506 1 1 3 LYS HZ3 H -15.278 -0.856 -5.730 1.00 . A A . 3 LYS HZ3 1 1 14 5507 1 1 3 LYS N N -14.449 -3.161 0.378 1.00 . A A . 3 LYS N 1 1 14 5508 1 1 3 LYS NZ N -14.844 -0.021 -5.289 1.00 . A A . 3 LYS NZ 1 1 14 5509 1 1 3 LYS O O -15.120 -0.646 0.658 1.00 . A A . 3 LYS O 1 1 14 5510 1 1 4 LEU C C -12.347 2.291 -0.497 1.00 . A A . 4 LEU C 1 1 14 5511 1 1 4 LEU CA C -13.399 1.498 0.253 1.00 . A A . 4 LEU CA 1 1 14 5512 1 1 4 LEU CB C -13.237 1.665 1.756 1.00 . A A . 4 LEU CB 1 1 14 5513 1 1 4 LEU CD1 C -15.253 3.033 2.318 1.00 . A A . 4 LEU CD1 1 1 14 5514 1 1 4 LEU CD2 C -13.242 3.099 3.798 1.00 . A A . 4 LEU CD2 1 1 14 5515 1 1 4 LEU CG C -13.739 2.956 2.376 1.00 . A A . 4 LEU CG 1 1 14 5516 1 1 4 LEU H H -12.267 -0.094 -0.433 1.00 . A A . 4 LEU H 1 1 14 5517 1 1 4 LEU HA H -14.382 1.812 -0.062 1.00 . A A . 4 LEU HA 1 1 14 5518 1 1 4 LEU HB2 H -13.797 0.838 2.163 1.00 . A A . 4 LEU HB2 1 1 14 5519 1 1 4 LEU HB3 H -12.193 1.532 2.008 1.00 . A A . 4 LEU HB3 1 1 14 5520 1 1 4 LEU HD11 H -15.576 2.992 1.289 1.00 . A A . 4 LEU HD11 1 1 14 5521 1 1 4 LEU HD12 H -15.578 3.961 2.769 1.00 . A A . 4 LEU HD12 1 1 14 5522 1 1 4 LEU HD13 H -15.670 2.205 2.869 1.00 . A A . 4 LEU HD13 1 1 14 5523 1 1 4 LEU HD21 H -12.163 3.102 3.798 1.00 . A A . 4 LEU HD21 1 1 14 5524 1 1 4 LEU HD22 H -13.601 2.272 4.391 1.00 . A A . 4 LEU HD22 1 1 14 5525 1 1 4 LEU HD23 H -13.605 4.025 4.221 1.00 . A A . 4 LEU HD23 1 1 14 5526 1 1 4 LEU HG H -13.340 3.772 1.797 1.00 . A A . 4 LEU HG 1 1 14 5527 1 1 4 LEU N N -13.149 0.122 -0.065 1.00 . A A . 4 LEU N 1 1 14 5528 1 1 4 LEU O O -11.314 1.716 -0.867 1.00 . A A . 4 LEU O 1 1 14 5529 1 1 5 ALA C C -10.371 4.605 -0.711 1.00 . A A . 5 ALA C 1 1 14 5530 1 1 5 ALA CA C -11.641 4.375 -1.492 1.00 . A A . 5 ALA CA 1 1 14 5531 1 1 5 ALA CB C -12.267 5.683 -1.944 1.00 . A A . 5 ALA CB 1 1 14 5532 1 1 5 ALA H H -13.416 3.970 -0.416 1.00 . A A . 5 ALA H 1 1 14 5533 1 1 5 ALA HA H -11.371 3.802 -2.362 1.00 . A A . 5 ALA HA 1 1 14 5534 1 1 5 ALA HB1 H -12.438 6.316 -1.088 1.00 . A A . 5 ALA HB1 1 1 14 5535 1 1 5 ALA HB2 H -13.216 5.476 -2.416 1.00 . A A . 5 ALA HB2 1 1 14 5536 1 1 5 ALA HB3 H -11.610 6.182 -2.640 1.00 . A A . 5 ALA HB3 1 1 14 5537 1 1 5 ALA N N -12.582 3.558 -0.738 1.00 . A A . 5 ALA N 1 1 14 5538 1 1 5 ALA O O -9.271 4.568 -1.264 1.00 . A A . 5 ALA O 1 1 14 5539 1 1 6 TYR C C -8.690 3.632 1.705 1.00 . A A . 6 TYR C 1 1 14 5540 1 1 6 TYR CA C -9.352 4.963 1.435 1.00 . A A . 6 TYR CA 1 1 14 5541 1 1 6 TYR CB C -9.667 5.703 2.731 1.00 . A A . 6 TYR CB 1 1 14 5542 1 1 6 TYR CD1 C -11.241 7.604 2.379 1.00 . A A . 6 TYR CD1 1 1 14 5543 1 1 6 TYR CD2 C -8.932 8.094 2.470 1.00 . A A . 6 TYR CD2 1 1 14 5544 1 1 6 TYR CE1 C -11.523 8.932 2.179 1.00 . A A . 6 TYR CE1 1 1 14 5545 1 1 6 TYR CE2 C -9.198 9.431 2.273 1.00 . A A . 6 TYR CE2 1 1 14 5546 1 1 6 TYR CG C -9.957 7.162 2.528 1.00 . A A . 6 TYR CG 1 1 14 5547 1 1 6 TYR CZ C -10.499 9.844 2.125 1.00 . A A . 6 TYR CZ 1 1 14 5548 1 1 6 TYR H H -11.436 4.888 0.907 1.00 . A A . 6 TYR H 1 1 14 5549 1 1 6 TYR HA H -8.663 5.556 0.855 1.00 . A A . 6 TYR HA 1 1 14 5550 1 1 6 TYR HB2 H -10.538 5.259 3.190 1.00 . A A . 6 TYR HB2 1 1 14 5551 1 1 6 TYR HB3 H -8.830 5.616 3.407 1.00 . A A . 6 TYR HB3 1 1 14 5552 1 1 6 TYR HD1 H -12.036 6.877 2.424 1.00 . A A . 6 TYR HD1 1 1 14 5553 1 1 6 TYR HD2 H -7.911 7.763 2.585 1.00 . A A . 6 TYR HD2 1 1 14 5554 1 1 6 TYR HE1 H -12.551 9.241 2.066 1.00 . A A . 6 TYR HE1 1 1 14 5555 1 1 6 TYR HE2 H -8.395 10.152 2.229 1.00 . A A . 6 TYR HE2 1 1 14 5556 1 1 6 TYR HH H -11.508 11.407 2.513 1.00 . A A . 6 TYR HH 1 1 14 5557 1 1 6 TYR N N -10.515 4.812 0.572 1.00 . A A . 6 TYR N 1 1 14 5558 1 1 6 TYR O O -7.555 3.567 2.136 1.00 . A A . 6 TYR O 1 1 14 5559 1 1 6 TYR OH O -10.777 11.168 1.927 1.00 . A A . 6 TYR OH 1 1 14 5560 1 1 7 ASN C C -8.030 0.931 0.390 1.00 . A A . 7 ASN C 1 1 14 5561 1 1 7 ASN CA C -8.876 1.249 1.603 1.00 . A A . 7 ASN CA 1 1 14 5562 1 1 7 ASN CB C -9.986 0.194 1.788 1.00 . A A . 7 ASN CB 1 1 14 5563 1 1 7 ASN CG C -9.474 -1.242 1.723 1.00 . A A . 7 ASN CG 1 1 14 5564 1 1 7 ASN H H -10.346 2.730 1.214 1.00 . A A . 7 ASN H 1 1 14 5565 1 1 7 ASN HA H -8.235 1.236 2.473 1.00 . A A . 7 ASN HA 1 1 14 5566 1 1 7 ASN HB2 H -10.473 0.332 2.740 1.00 . A A . 7 ASN HB2 1 1 14 5567 1 1 7 ASN HB3 H -10.724 0.319 1.008 1.00 . A A . 7 ASN HB3 1 1 14 5568 1 1 7 ASN HD21 H -9.067 -1.211 3.644 1.00 . A A . 7 ASN HD21 1 1 14 5569 1 1 7 ASN HD22 H -8.696 -2.681 2.835 1.00 . A A . 7 ASN HD22 1 1 14 5570 1 1 7 ASN N N -9.419 2.583 1.490 1.00 . A A . 7 ASN N 1 1 14 5571 1 1 7 ASN ND2 N -9.042 -1.761 2.829 1.00 . A A . 7 ASN ND2 1 1 14 5572 1 1 7 ASN O O -6.843 0.698 0.488 1.00 . A A . 7 ASN O 1 1 14 5573 1 1 7 ASN OD1 O -9.474 -1.862 0.664 1.00 . A A . 7 ASN OD1 1 1 14 5574 1 1 8 MET C C -7.064 1.660 -2.501 1.00 . A A . 8 MET C 1 1 14 5575 1 1 8 MET CA C -7.993 0.566 -1.972 1.00 . A A . 8 MET CA 1 1 14 5576 1 1 8 MET CB C -9.016 0.145 -3.038 1.00 . A A . 8 MET CB 1 1 14 5577 1 1 8 MET CE C -6.646 -2.289 -3.073 1.00 . A A . 8 MET CE 1 1 14 5578 1 1 8 MET CG C -8.434 -0.432 -4.343 1.00 . A A . 8 MET CG 1 1 14 5579 1 1 8 MET H H -9.595 1.235 -0.766 1.00 . A A . 8 MET H 1 1 14 5580 1 1 8 MET HA H -7.389 -0.288 -1.717 1.00 . A A . 8 MET HA 1 1 14 5581 1 1 8 MET HB2 H -9.672 -0.597 -2.610 1.00 . A A . 8 MET HB2 1 1 14 5582 1 1 8 MET HB3 H -9.611 1.011 -3.288 1.00 . A A . 8 MET HB3 1 1 14 5583 1 1 8 MET HE1 H -6.200 -3.273 -3.109 1.00 . A A . 8 MET HE1 1 1 14 5584 1 1 8 MET HE2 H -7.061 -2.149 -2.087 1.00 . A A . 8 MET HE2 1 1 14 5585 1 1 8 MET HE3 H -5.896 -1.539 -3.271 1.00 . A A . 8 MET HE3 1 1 14 5586 1 1 8 MET HG2 H -9.180 -0.313 -5.116 1.00 . A A . 8 MET HG2 1 1 14 5587 1 1 8 MET HG3 H -7.565 0.152 -4.613 1.00 . A A . 8 MET HG3 1 1 14 5588 1 1 8 MET N N -8.655 0.948 -0.751 1.00 . A A . 8 MET N 1 1 14 5589 1 1 8 MET O O -5.858 1.474 -2.572 1.00 . A A . 8 MET O 1 1 14 5590 1 1 8 MET SD S -7.971 -2.207 -4.287 1.00 . A A . 8 MET SD 1 1 14 5591 1 1 9 GLY C C -5.856 4.508 -2.589 1.00 . A A . 9 GLY C 1 1 14 5592 1 1 9 GLY CA C -6.915 3.883 -3.453 1.00 . A A . 9 GLY CA 1 1 14 5593 1 1 9 GLY H H -8.590 2.943 -2.605 1.00 . A A . 9 GLY H 1 1 14 5594 1 1 9 GLY HA2 H -6.438 3.482 -4.335 1.00 . A A . 9 GLY HA2 1 1 14 5595 1 1 9 GLY HA3 H -7.624 4.643 -3.746 1.00 . A A . 9 GLY HA3 1 1 14 5596 1 1 9 GLY N N -7.640 2.809 -2.809 1.00 . A A . 9 GLY N 1 1 14 5597 1 1 9 GLY O O -4.734 4.757 -3.056 1.00 . A A . 9 GLY O 1 1 14 5598 1 1 10 HIS C C -4.075 4.449 -0.158 1.00 . A A . 10 HIS C 1 1 14 5599 1 1 10 HIS CA C -5.257 5.382 -0.426 1.00 . A A . 10 HIS CA 1 1 14 5600 1 1 10 HIS CB C -5.978 5.804 0.852 1.00 . A A . 10 HIS CB 1 1 14 5601 1 1 10 HIS CD2 C -4.917 6.783 2.986 1.00 . A A . 10 HIS CD2 1 1 14 5602 1 1 10 HIS CE1 C -4.213 8.655 2.157 1.00 . A A . 10 HIS CE1 1 1 14 5603 1 1 10 HIS CG C -5.258 6.803 1.679 1.00 . A A . 10 HIS CG 1 1 14 5604 1 1 10 HIS H H -7.087 4.481 -1.029 1.00 . A A . 10 HIS H 1 1 14 5605 1 1 10 HIS HA H -4.847 6.265 -0.902 1.00 . A A . 10 HIS HA 1 1 14 5606 1 1 10 HIS HB2 H -6.913 6.264 0.571 1.00 . A A . 10 HIS HB2 1 1 14 5607 1 1 10 HIS HB3 H -6.174 4.935 1.463 1.00 . A A . 10 HIS HB3 1 1 14 5608 1 1 10 HIS HD1 H -4.916 8.330 0.265 1.00 . A A . 10 HIS HD1 1 1 14 5609 1 1 10 HIS HD2 H -5.124 5.989 3.688 1.00 . A A . 10 HIS HD2 1 1 14 5610 1 1 10 HIS HE1 H -3.759 9.621 2.008 1.00 . A A . 10 HIS HE1 1 1 14 5611 1 1 10 HIS N N -6.189 4.743 -1.333 1.00 . A A . 10 HIS N 1 1 14 5612 1 1 10 HIS ND1 N -4.806 7.998 1.185 1.00 . A A . 10 HIS ND1 1 1 14 5613 1 1 10 HIS NE2 N -4.247 7.969 3.290 1.00 . A A . 10 HIS NE2 1 1 14 5614 1 1 10 HIS O O -2.916 4.858 -0.258 1.00 . A A . 10 HIS O 1 1 14 5615 1 1 11 TYR C C -2.499 1.903 -0.921 1.00 . A A . 11 TYR C 1 1 14 5616 1 1 11 TYR CA C -3.297 2.198 0.317 1.00 . A A . 11 TYR CA 1 1 14 5617 1 1 11 TYR CB C -3.780 0.927 0.991 1.00 . A A . 11 TYR CB 1 1 14 5618 1 1 11 TYR CD1 C -5.190 1.447 3.007 1.00 . A A . 11 TYR CD1 1 1 14 5619 1 1 11 TYR CD2 C -2.897 0.922 3.316 1.00 . A A . 11 TYR CD2 1 1 14 5620 1 1 11 TYR CE1 C -5.334 1.627 4.369 1.00 . A A . 11 TYR CE1 1 1 14 5621 1 1 11 TYR CE2 C -3.024 1.089 4.662 1.00 . A A . 11 TYR CE2 1 1 14 5622 1 1 11 TYR CG C -3.969 1.095 2.466 1.00 . A A . 11 TYR CG 1 1 14 5623 1 1 11 TYR CZ C -4.240 1.444 5.191 1.00 . A A . 11 TYR CZ 1 1 14 5624 1 1 11 TYR H H -5.293 2.866 0.107 1.00 . A A . 11 TYR H 1 1 14 5625 1 1 11 TYR HA H -2.618 2.694 0.996 1.00 . A A . 11 TYR HA 1 1 14 5626 1 1 11 TYR HB2 H -4.726 0.631 0.564 1.00 . A A . 11 TYR HB2 1 1 14 5627 1 1 11 TYR HB3 H -3.051 0.147 0.836 1.00 . A A . 11 TYR HB3 1 1 14 5628 1 1 11 TYR HD1 H -6.022 1.578 2.328 1.00 . A A . 11 TYR HD1 1 1 14 5629 1 1 11 TYR HD2 H -1.939 0.648 2.903 1.00 . A A . 11 TYR HD2 1 1 14 5630 1 1 11 TYR HE1 H -6.291 1.902 4.787 1.00 . A A . 11 TYR HE1 1 1 14 5631 1 1 11 TYR HE2 H -2.162 0.941 5.295 1.00 . A A . 11 TYR HE2 1 1 14 5632 1 1 11 TYR HH H -5.227 1.304 6.818 1.00 . A A . 11 TYR HH 1 1 14 5633 1 1 11 TYR N N -4.359 3.168 0.087 1.00 . A A . 11 TYR N 1 1 14 5634 1 1 11 TYR O O -1.321 1.600 -0.823 1.00 . A A . 11 TYR O 1 1 14 5635 1 1 11 TYR OH O -4.360 1.621 6.539 1.00 . A A . 11 TYR OH 1 1 14 5636 1 1 12 ALA C C -1.281 2.833 -3.466 1.00 . A A . 12 ALA C 1 1 14 5637 1 1 12 ALA CA C -2.421 1.824 -3.349 1.00 . A A . 12 ALA CA 1 1 14 5638 1 1 12 ALA CB C -3.374 1.986 -4.520 1.00 . A A . 12 ALA CB 1 1 14 5639 1 1 12 ALA H H -4.090 2.191 -2.119 1.00 . A A . 12 ALA H 1 1 14 5640 1 1 12 ALA HA H -2.018 0.821 -3.360 1.00 . A A . 12 ALA HA 1 1 14 5641 1 1 12 ALA HB1 H -4.174 1.267 -4.432 1.00 . A A . 12 ALA HB1 1 1 14 5642 1 1 12 ALA HB2 H -2.829 1.817 -5.437 1.00 . A A . 12 ALA HB2 1 1 14 5643 1 1 12 ALA HB3 H -3.778 2.988 -4.511 1.00 . A A . 12 ALA HB3 1 1 14 5644 1 1 12 ALA N N -3.124 2.011 -2.086 1.00 . A A . 12 ALA N 1 1 14 5645 1 1 12 ALA O O -0.193 2.512 -3.940 1.00 . A A . 12 ALA O 1 1 14 5646 1 1 13 GLY C C 0.519 4.793 -1.946 1.00 . A A . 13 GLY C 1 1 14 5647 1 1 13 GLY CA C -0.528 5.054 -3.000 1.00 . A A . 13 GLY CA 1 1 14 5648 1 1 13 GLY H H -2.439 4.218 -2.663 1.00 . A A . 13 GLY H 1 1 14 5649 1 1 13 GLY HA2 H -0.055 5.114 -3.968 1.00 . A A . 13 GLY HA2 1 1 14 5650 1 1 13 GLY HA3 H -1.005 5.997 -2.770 1.00 . A A . 13 GLY HA3 1 1 14 5651 1 1 13 GLY N N -1.537 4.034 -3.005 1.00 . A A . 13 GLY N 1 1 14 5652 1 1 13 GLY O O 1.721 4.800 -2.227 1.00 . A A . 13 GLY O 1 1 14 5653 1 1 14 LYS C C 1.795 3.106 0.332 1.00 . A A . 14 LYS C 1 1 14 5654 1 1 14 LYS CA C 0.888 4.307 0.421 1.00 . A A . 14 LYS CA 1 1 14 5655 1 1 14 LYS CB C 0.032 4.252 1.641 1.00 . A A . 14 LYS CB 1 1 14 5656 1 1 14 LYS CD C -1.847 5.450 2.712 1.00 . A A . 14 LYS CD 1 1 14 5657 1 1 14 LYS CE C -1.576 5.764 4.171 1.00 . A A . 14 LYS CE 1 1 14 5658 1 1 14 LYS CG C -0.659 5.564 1.843 1.00 . A A . 14 LYS CG 1 1 14 5659 1 1 14 LYS H H -0.926 4.423 -0.658 1.00 . A A . 14 LYS H 1 1 14 5660 1 1 14 LYS HA H 1.469 5.209 0.495 1.00 . A A . 14 LYS HA 1 1 14 5661 1 1 14 LYS HB2 H -0.696 3.465 1.518 1.00 . A A . 14 LYS HB2 1 1 14 5662 1 1 14 LYS HB3 H 0.651 4.050 2.501 1.00 . A A . 14 LYS HB3 1 1 14 5663 1 1 14 LYS HD2 H -2.583 6.123 2.301 1.00 . A A . 14 LYS HD2 1 1 14 5664 1 1 14 LYS HD3 H -2.172 4.429 2.597 1.00 . A A . 14 LYS HD3 1 1 14 5665 1 1 14 LYS HE2 H -1.156 6.756 4.215 1.00 . A A . 14 LYS HE2 1 1 14 5666 1 1 14 LYS HE3 H -2.519 5.753 4.698 1.00 . A A . 14 LYS HE3 1 1 14 5667 1 1 14 LYS HG2 H 0.032 6.248 2.315 1.00 . A A . 14 LYS HG2 1 1 14 5668 1 1 14 LYS HG3 H -0.944 5.957 0.879 1.00 . A A . 14 LYS HG3 1 1 14 5669 1 1 14 LYS HZ1 H -0.991 3.856 4.811 1.00 . A A . 14 LYS HZ1 1 1 14 5670 1 1 14 LYS HZ2 H -0.491 5.121 5.808 1.00 . A A . 14 LYS HZ2 1 1 14 5671 1 1 14 LYS HZ3 H 0.297 4.849 4.375 1.00 . A A . 14 LYS HZ3 1 1 14 5672 1 1 14 LYS N N 0.048 4.500 -0.752 1.00 . A A . 14 LYS N 1 1 14 5673 1 1 14 LYS NZ N -0.641 4.836 4.818 1.00 . A A . 14 LYS NZ 1 1 14 5674 1 1 14 LYS O O 2.938 3.151 0.770 1.00 . A A . 14 LYS O 1 1 14 5675 1 1 15 ALA C C 3.169 1.073 -1.477 1.00 . A A . 15 ALA C 1 1 14 5676 1 1 15 ALA CA C 2.118 0.857 -0.409 1.00 . A A . 15 ALA CA 1 1 14 5677 1 1 15 ALA CB C 1.264 -0.354 -0.721 1.00 . A A . 15 ALA CB 1 1 14 5678 1 1 15 ALA H H 0.380 2.038 -0.564 1.00 . A A . 15 ALA H 1 1 14 5679 1 1 15 ALA HA H 2.632 0.686 0.524 1.00 . A A . 15 ALA HA 1 1 14 5680 1 1 15 ALA HB1 H 0.742 -0.208 -1.653 1.00 . A A . 15 ALA HB1 1 1 14 5681 1 1 15 ALA HB2 H 0.549 -0.503 0.075 1.00 . A A . 15 ALA HB2 1 1 14 5682 1 1 15 ALA HB3 H 1.909 -1.218 -0.801 1.00 . A A . 15 ALA HB3 1 1 14 5683 1 1 15 ALA N N 1.312 2.042 -0.248 1.00 . A A . 15 ALA N 1 1 14 5684 1 1 15 ALA O O 4.232 0.501 -1.422 1.00 . A A . 15 ALA O 1 1 14 5685 1 1 16 THR C C 4.912 3.160 -2.949 1.00 . A A . 16 THR C 1 1 14 5686 1 1 16 THR CA C 3.814 2.224 -3.469 1.00 . A A . 16 THR CA 1 1 14 5687 1 1 16 THR CB C 3.128 2.813 -4.717 1.00 . A A . 16 THR CB 1 1 14 5688 1 1 16 THR CG2 C 4.128 2.941 -5.853 1.00 . A A . 16 THR CG2 1 1 14 5689 1 1 16 THR H H 2.000 2.359 -2.425 1.00 . A A . 16 THR H 1 1 14 5690 1 1 16 THR HA H 4.285 1.295 -3.744 1.00 . A A . 16 THR HA 1 1 14 5691 1 1 16 THR HB H 2.718 3.784 -4.485 1.00 . A A . 16 THR HB 1 1 14 5692 1 1 16 THR HG1 H 1.269 2.141 -4.658 1.00 . A A . 16 THR HG1 1 1 14 5693 1 1 16 THR HG21 H 4.519 1.955 -6.060 1.00 . A A . 16 THR HG21 1 1 14 5694 1 1 16 THR HG22 H 4.933 3.595 -5.551 1.00 . A A . 16 THR HG22 1 1 14 5695 1 1 16 THR HG23 H 3.645 3.337 -6.733 1.00 . A A . 16 THR HG23 1 1 14 5696 1 1 16 THR N N 2.872 1.920 -2.433 1.00 . A A . 16 THR N 1 1 14 5697 1 1 16 THR O O 6.083 2.991 -3.265 1.00 . A A . 16 THR O 1 1 14 5698 1 1 16 THR OG1 O 2.084 1.925 -5.133 1.00 . A A . 16 THR OG1 1 1 14 5699 1 1 17 ILE C C 6.314 4.378 -0.452 1.00 . A A . 17 ILE C 1 1 14 5700 1 1 17 ILE CA C 5.543 5.029 -1.617 1.00 . A A . 17 ILE CA 1 1 14 5701 1 1 17 ILE CB C 4.976 6.452 -1.233 1.00 . A A . 17 ILE CB 1 1 14 5702 1 1 17 ILE CD1 C 7.169 7.703 -1.660 1.00 . A A . 17 ILE CD1 1 1 14 5703 1 1 17 ILE CG1 C 6.069 7.369 -0.670 1.00 . A A . 17 ILE CG1 1 1 14 5704 1 1 17 ILE CG2 C 3.797 6.376 -0.279 1.00 . A A . 17 ILE CG2 1 1 14 5705 1 1 17 ILE H H 3.591 4.271 -1.936 1.00 . A A . 17 ILE H 1 1 14 5706 1 1 17 ILE HA H 6.265 5.158 -2.410 1.00 . A A . 17 ILE HA 1 1 14 5707 1 1 17 ILE HB H 4.602 6.897 -2.144 1.00 . A A . 17 ILE HB 1 1 14 5708 1 1 17 ILE HD11 H 7.675 6.793 -1.947 1.00 . A A . 17 ILE HD11 1 1 14 5709 1 1 17 ILE HD12 H 7.876 8.379 -1.202 1.00 . A A . 17 ILE HD12 1 1 14 5710 1 1 17 ILE HD13 H 6.736 8.163 -2.535 1.00 . A A . 17 ILE HD13 1 1 14 5711 1 1 17 ILE HG12 H 5.619 8.300 -0.358 1.00 . A A . 17 ILE HG12 1 1 14 5712 1 1 17 ILE HG13 H 6.519 6.889 0.186 1.00 . A A . 17 ILE HG13 1 1 14 5713 1 1 17 ILE HG21 H 3.459 7.370 -0.027 1.00 . A A . 17 ILE HG21 1 1 14 5714 1 1 17 ILE HG22 H 4.088 5.852 0.620 1.00 . A A . 17 ILE HG22 1 1 14 5715 1 1 17 ILE HG23 H 2.996 5.839 -0.762 1.00 . A A . 17 ILE HG23 1 1 14 5716 1 1 17 ILE N N 4.542 4.141 -2.154 1.00 . A A . 17 ILE N 1 1 14 5717 1 1 17 ILE O O 7.518 4.282 -0.505 1.00 . A A . 17 ILE O 1 1 14 5718 1 1 18 PHE C C 6.672 1.897 1.550 1.00 . A A . 18 PHE C 1 1 14 5719 1 1 18 PHE CA C 6.220 3.337 1.751 1.00 . A A . 18 PHE CA 1 1 14 5720 1 1 18 PHE CB C 5.301 3.443 2.958 1.00 . A A . 18 PHE CB 1 1 14 5721 1 1 18 PHE CD1 C 3.596 5.249 3.341 1.00 . A A . 18 PHE CD1 1 1 14 5722 1 1 18 PHE CD2 C 5.905 5.783 3.544 1.00 . A A . 18 PHE CD2 1 1 14 5723 1 1 18 PHE CE1 C 3.267 6.550 3.645 1.00 . A A . 18 PHE CE1 1 1 14 5724 1 1 18 PHE CE2 C 5.583 7.084 3.845 1.00 . A A . 18 PHE CE2 1 1 14 5725 1 1 18 PHE CG C 4.924 4.853 3.291 1.00 . A A . 18 PHE CG 1 1 14 5726 1 1 18 PHE CZ C 4.262 7.471 3.899 1.00 . A A . 18 PHE CZ 1 1 14 5727 1 1 18 PHE H H 4.621 3.955 0.525 1.00 . A A . 18 PHE H 1 1 14 5728 1 1 18 PHE HA H 7.104 3.926 1.960 1.00 . A A . 18 PHE HA 1 1 14 5729 1 1 18 PHE HB2 H 4.400 2.883 2.757 1.00 . A A . 18 PHE HB2 1 1 14 5730 1 1 18 PHE HB3 H 5.809 3.018 3.810 1.00 . A A . 18 PHE HB3 1 1 14 5731 1 1 18 PHE HD1 H 2.813 4.533 3.136 1.00 . A A . 18 PHE HD1 1 1 14 5732 1 1 18 PHE HD2 H 6.936 5.464 3.490 1.00 . A A . 18 PHE HD2 1 1 14 5733 1 1 18 PHE HE1 H 2.232 6.849 3.682 1.00 . A A . 18 PHE HE1 1 1 14 5734 1 1 18 PHE HE2 H 6.368 7.796 4.041 1.00 . A A . 18 PHE HE2 1 1 14 5735 1 1 18 PHE HZ H 4.002 8.493 4.134 1.00 . A A . 18 PHE HZ 1 1 14 5736 1 1 18 PHE N N 5.604 3.924 0.566 1.00 . A A . 18 PHE N 1 1 14 5737 1 1 18 PHE O O 7.862 1.578 1.677 1.00 . A A . 18 PHE O 1 1 14 5738 1 1 19 GLY C C 7.012 -0.682 0.066 1.00 . A A . 19 GLY C 1 1 14 5739 1 1 19 GLY CA C 5.961 -0.391 1.101 1.00 . A A . 19 GLY CA 1 1 14 5740 1 1 19 GLY H H 4.799 1.376 1.123 1.00 . A A . 19 GLY H 1 1 14 5741 1 1 19 GLY HA2 H 6.294 -0.784 2.049 1.00 . A A . 19 GLY HA2 1 1 14 5742 1 1 19 GLY HA3 H 5.042 -0.886 0.823 1.00 . A A . 19 GLY HA3 1 1 14 5743 1 1 19 GLY N N 5.709 1.035 1.250 1.00 . A A . 19 GLY N 1 1 14 5744 1 1 19 GLY O O 8.000 -1.370 0.342 1.00 . A A . 19 GLY O 1 1 14 5745 1 1 20 LEU C C 9.133 0.301 -1.836 1.00 . A A . 20 LEU C 1 1 14 5746 1 1 20 LEU CA C 7.789 -0.288 -2.161 1.00 . A A . 20 LEU CA 1 1 14 5747 1 1 20 LEU CB C 7.311 0.208 -3.495 1.00 . A A . 20 LEU CB 1 1 14 5748 1 1 20 LEU CD1 C 5.468 -1.430 -4.018 1.00 . A A . 20 LEU CD1 1 1 14 5749 1 1 20 LEU CD2 C 6.782 -0.359 -5.853 1.00 . A A . 20 LEU CD2 1 1 14 5750 1 1 20 LEU CG C 6.815 -0.866 -4.439 1.00 . A A . 20 LEU CG 1 1 14 5751 1 1 20 LEU H H 5.977 0.346 -1.275 1.00 . A A . 20 LEU H 1 1 14 5752 1 1 20 LEU HA H 7.950 -1.353 -2.247 1.00 . A A . 20 LEU HA 1 1 14 5753 1 1 20 LEU HB2 H 6.497 0.902 -3.318 1.00 . A A . 20 LEU HB2 1 1 14 5754 1 1 20 LEU HB3 H 8.141 0.721 -3.959 1.00 . A A . 20 LEU HB3 1 1 14 5755 1 1 20 LEU HD11 H 4.732 -0.641 -4.090 1.00 . A A . 20 LEU HD11 1 1 14 5756 1 1 20 LEU HD12 H 5.520 -1.788 -3.002 1.00 . A A . 20 LEU HD12 1 1 14 5757 1 1 20 LEU HD13 H 5.188 -2.240 -4.676 1.00 . A A . 20 LEU HD13 1 1 14 5758 1 1 20 LEU HD21 H 6.115 0.489 -5.898 1.00 . A A . 20 LEU HD21 1 1 14 5759 1 1 20 LEU HD22 H 6.432 -1.147 -6.503 1.00 . A A . 20 LEU HD22 1 1 14 5760 1 1 20 LEU HD23 H 7.777 -0.052 -6.139 1.00 . A A . 20 LEU HD23 1 1 14 5761 1 1 20 LEU HG H 7.569 -1.634 -4.377 1.00 . A A . 20 LEU HG 1 1 14 5762 1 1 20 LEU N N 6.824 -0.137 -1.108 1.00 . A A . 20 LEU N 1 1 14 5763 1 1 20 LEU O O 10.125 -0.213 -2.285 1.00 . A A . 20 LEU O 1 1 14 5764 1 1 21 ALA C C 11.254 0.946 0.178 1.00 . A A . 21 ALA C 1 1 14 5765 1 1 21 ALA CA C 10.458 1.945 -0.649 1.00 . A A . 21 ALA CA 1 1 14 5766 1 1 21 ALA CB C 10.269 3.236 0.116 1.00 . A A . 21 ALA CB 1 1 14 5767 1 1 21 ALA H H 8.343 1.776 -0.753 1.00 . A A . 21 ALA H 1 1 14 5768 1 1 21 ALA HA H 11.006 2.148 -1.557 1.00 . A A . 21 ALA HA 1 1 14 5769 1 1 21 ALA HB1 H 9.716 3.937 -0.494 1.00 . A A . 21 ALA HB1 1 1 14 5770 1 1 21 ALA HB2 H 11.231 3.648 0.385 1.00 . A A . 21 ALA HB2 1 1 14 5771 1 1 21 ALA HB3 H 9.708 3.033 1.015 1.00 . A A . 21 ALA HB3 1 1 14 5772 1 1 21 ALA N N 9.179 1.365 -1.053 1.00 . A A . 21 ALA N 1 1 14 5773 1 1 21 ALA O O 12.462 0.902 0.109 1.00 . A A . 21 ALA O 1 1 14 5774 1 1 22 ALA C C 11.753 -2.019 0.823 1.00 . A A . 22 ALA C 1 1 14 5775 1 1 22 ALA CA C 11.213 -0.913 1.705 1.00 . A A . 22 ALA CA 1 1 14 5776 1 1 22 ALA CB C 10.277 -1.464 2.754 1.00 . A A . 22 ALA CB 1 1 14 5777 1 1 22 ALA H H 9.586 0.198 0.911 1.00 . A A . 22 ALA H 1 1 14 5778 1 1 22 ALA HA H 12.076 -0.487 2.194 1.00 . A A . 22 ALA HA 1 1 14 5779 1 1 22 ALA HB1 H 9.446 -1.955 2.270 1.00 . A A . 22 ALA HB1 1 1 14 5780 1 1 22 ALA HB2 H 9.908 -0.656 3.368 1.00 . A A . 22 ALA HB2 1 1 14 5781 1 1 22 ALA HB3 H 10.815 -2.179 3.358 1.00 . A A . 22 ALA HB3 1 1 14 5782 1 1 22 ALA N N 10.566 0.116 0.910 1.00 . A A . 22 ALA N 1 1 14 5783 1 1 22 ALA O O 12.737 -2.645 1.142 1.00 . A A . 22 ALA O 1 1 14 5784 1 1 23 TRP C C 12.565 -2.806 -2.146 1.00 . A A . 23 TRP C 1 1 14 5785 1 1 23 TRP CA C 11.572 -3.321 -1.120 1.00 . A A . 23 TRP CA 1 1 14 5786 1 1 23 TRP CB C 10.415 -4.050 -1.779 1.00 . A A . 23 TRP CB 1 1 14 5787 1 1 23 TRP CD1 C 10.598 -6.392 -2.815 1.00 . A A . 23 TRP CD1 1 1 14 5788 1 1 23 TRP CD2 C 10.927 -6.325 -0.602 1.00 . A A . 23 TRP CD2 1 1 14 5789 1 1 23 TRP CE2 C 11.057 -7.650 -1.029 1.00 . A A . 23 TRP CE2 1 1 14 5790 1 1 23 TRP CE3 C 11.097 -6.028 0.757 1.00 . A A . 23 TRP CE3 1 1 14 5791 1 1 23 TRP CG C 10.620 -5.534 -1.758 1.00 . A A . 23 TRP CG 1 1 14 5792 1 1 23 TRP CH2 C 11.522 -8.367 1.171 1.00 . A A . 23 TRP CH2 1 1 14 5793 1 1 23 TRP CZ2 C 11.354 -8.687 -0.151 1.00 . A A . 23 TRP CZ2 1 1 14 5794 1 1 23 TRP CZ3 C 11.394 -7.049 1.625 1.00 . A A . 23 TRP CZ3 1 1 14 5795 1 1 23 TRP H H 10.299 -1.758 -0.484 1.00 . A A . 23 TRP H 1 1 14 5796 1 1 23 TRP HA H 12.096 -4.019 -0.486 1.00 . A A . 23 TRP HA 1 1 14 5797 1 1 23 TRP HB2 H 9.480 -3.793 -1.308 1.00 . A A . 23 TRP HB2 1 1 14 5798 1 1 23 TRP HB3 H 10.393 -3.741 -2.812 1.00 . A A . 23 TRP HB3 1 1 14 5799 1 1 23 TRP HD1 H 10.392 -6.105 -3.835 1.00 . A A . 23 TRP HD1 1 1 14 5800 1 1 23 TRP HE1 H 10.877 -8.470 -2.951 1.00 . A A . 23 TRP HE1 1 1 14 5801 1 1 23 TRP HE3 H 11.000 -5.017 1.130 1.00 . A A . 23 TRP HE3 1 1 14 5802 1 1 23 TRP HH2 H 11.760 -9.141 1.883 1.00 . A A . 23 TRP HH2 1 1 14 5803 1 1 23 TRP HZ2 H 11.453 -9.708 -0.485 1.00 . A A . 23 TRP HZ2 1 1 14 5804 1 1 23 TRP HZ3 H 11.539 -6.819 2.671 1.00 . A A . 23 TRP HZ3 1 1 14 5805 1 1 23 TRP N N 11.104 -2.273 -0.267 1.00 . A A . 23 TRP N 1 1 14 5806 1 1 23 TRP NE1 N 10.843 -7.666 -2.383 1.00 . A A . 23 TRP NE1 1 1 14 5807 1 1 23 TRP O O 13.505 -3.464 -2.465 1.00 . A A . 23 TRP O 1 1 14 5808 1 1 24 ALA C C 14.458 -0.434 -3.010 1.00 . A A . 24 ALA C 1 1 14 5809 1 1 24 ALA CA C 13.206 -1.057 -3.655 1.00 . A A . 24 ALA CA 1 1 14 5810 1 1 24 ALA CB C 12.471 -0.044 -4.506 1.00 . A A . 24 ALA CB 1 1 14 5811 1 1 24 ALA H H 11.471 -1.186 -2.463 1.00 . A A . 24 ALA H 1 1 14 5812 1 1 24 ALA HA H 13.523 -1.859 -4.305 1.00 . A A . 24 ALA HA 1 1 14 5813 1 1 24 ALA HB1 H 13.111 0.252 -5.320 1.00 . A A . 24 ALA HB1 1 1 14 5814 1 1 24 ALA HB2 H 12.229 0.818 -3.903 1.00 . A A . 24 ALA HB2 1 1 14 5815 1 1 24 ALA HB3 H 11.566 -0.485 -4.896 1.00 . A A . 24 ALA HB3 1 1 14 5816 1 1 24 ALA N N 12.308 -1.653 -2.690 1.00 . A A . 24 ALA N 1 1 14 5817 1 1 24 ALA O O 15.571 -0.693 -3.430 1.00 . A A . 24 ALA O 1 1 14 5818 1 1 25 LEU C C 16.058 0.377 -0.278 1.00 . A A . 25 LEU C 1 1 14 5819 1 1 25 LEU CA C 15.329 1.167 -1.378 1.00 . A A . 25 LEU CA 1 1 14 5820 1 1 25 LEU CB C 14.829 2.521 -0.809 1.00 . A A . 25 LEU CB 1 1 14 5821 1 1 25 LEU CD1 C 13.458 3.378 -2.772 1.00 . A A . 25 LEU CD1 1 1 14 5822 1 1 25 LEU CD2 C 14.293 4.963 -1.041 1.00 . A A . 25 LEU CD2 1 1 14 5823 1 1 25 LEU CG C 14.579 3.679 -1.797 1.00 . A A . 25 LEU CG 1 1 14 5824 1 1 25 LEU H H 13.331 0.575 -1.710 1.00 . A A . 25 LEU H 1 1 14 5825 1 1 25 LEU HA H 16.054 1.390 -2.144 1.00 . A A . 25 LEU HA 1 1 14 5826 1 1 25 LEU HB2 H 13.870 2.318 -0.346 1.00 . A A . 25 LEU HB2 1 1 14 5827 1 1 25 LEU HB3 H 15.525 2.852 -0.053 1.00 . A A . 25 LEU HB3 1 1 14 5828 1 1 25 LEU HD11 H 13.365 4.201 -3.464 1.00 . A A . 25 LEU HD11 1 1 14 5829 1 1 25 LEU HD12 H 12.533 3.264 -2.230 1.00 . A A . 25 LEU HD12 1 1 14 5830 1 1 25 LEU HD13 H 13.685 2.472 -3.313 1.00 . A A . 25 LEU HD13 1 1 14 5831 1 1 25 LEU HD21 H 15.144 5.211 -0.426 1.00 . A A . 25 LEU HD21 1 1 14 5832 1 1 25 LEU HD22 H 13.425 4.820 -0.414 1.00 . A A . 25 LEU HD22 1 1 14 5833 1 1 25 LEU HD23 H 14.108 5.761 -1.744 1.00 . A A . 25 LEU HD23 1 1 14 5834 1 1 25 LEU HG H 15.473 3.835 -2.380 1.00 . A A . 25 LEU HG 1 1 14 5835 1 1 25 LEU N N 14.244 0.429 -2.037 1.00 . A A . 25 LEU N 1 1 14 5836 1 1 25 LEU O O 17.249 0.567 -0.068 1.00 . A A . 25 LEU O 1 1 14 5837 1 1 26 LEU C C 16.470 -2.529 1.300 1.00 . A A . 26 LEU C 1 1 14 5838 1 1 26 LEU CA C 15.901 -1.147 1.604 1.00 . A A . 26 LEU CA 1 1 14 5839 1 1 26 LEU CB C 14.831 -1.229 2.691 1.00 . A A . 26 LEU CB 1 1 14 5840 1 1 26 LEU CD1 C 16.204 -1.050 4.778 1.00 . A A . 26 LEU CD1 1 1 14 5841 1 1 26 LEU CD2 C 13.992 -2.242 4.821 1.00 . A A . 26 LEU CD2 1 1 14 5842 1 1 26 LEU CG C 15.219 -1.896 3.996 1.00 . A A . 26 LEU CG 1 1 14 5843 1 1 26 LEU H H 14.424 -0.694 0.170 1.00 . A A . 26 LEU H 1 1 14 5844 1 1 26 LEU HA H 16.703 -0.530 1.967 1.00 . A A . 26 LEU HA 1 1 14 5845 1 1 26 LEU HB2 H 14.491 -0.228 2.913 1.00 . A A . 26 LEU HB2 1 1 14 5846 1 1 26 LEU HB3 H 13.999 -1.782 2.274 1.00 . A A . 26 LEU HB3 1 1 14 5847 1 1 26 LEU HD11 H 16.446 -1.543 5.708 1.00 . A A . 26 LEU HD11 1 1 14 5848 1 1 26 LEU HD12 H 15.764 -0.084 4.979 1.00 . A A . 26 LEU HD12 1 1 14 5849 1 1 26 LEU HD13 H 17.102 -0.923 4.192 1.00 . A A . 26 LEU HD13 1 1 14 5850 1 1 26 LEU HD21 H 13.425 -1.347 5.025 1.00 . A A . 26 LEU HD21 1 1 14 5851 1 1 26 LEU HD22 H 14.302 -2.697 5.749 1.00 . A A . 26 LEU HD22 1 1 14 5852 1 1 26 LEU HD23 H 13.372 -2.946 4.282 1.00 . A A . 26 LEU HD23 1 1 14 5853 1 1 26 LEU HG H 15.707 -2.817 3.719 1.00 . A A . 26 LEU HG 1 1 14 5854 1 1 26 LEU N N 15.343 -0.484 0.426 1.00 . A A . 26 LEU N 1 1 14 5855 1 1 26 LEU O O 17.306 -3.046 2.048 1.00 . A A . 26 LEU O 1 1 14 5856 1 1 27 ALA C C 17.715 -4.402 -1.004 1.00 . A A . 27 ALA C 1 1 14 5857 1 1 27 ALA CA C 16.462 -4.445 -0.134 1.00 . A A . 27 ALA CA 1 1 14 5858 1 1 27 ALA CB C 15.335 -5.213 -0.813 1.00 . A A . 27 ALA CB 1 1 14 5859 1 1 27 ALA H H 15.388 -2.587 -0.287 1.00 . A A . 27 ALA H 1 1 14 5860 1 1 27 ALA HA H 16.723 -4.963 0.776 1.00 . A A . 27 ALA HA 1 1 14 5861 1 1 27 ALA HB1 H 14.469 -5.206 -0.168 1.00 . A A . 27 ALA HB1 1 1 14 5862 1 1 27 ALA HB2 H 15.637 -6.231 -1.010 1.00 . A A . 27 ALA HB2 1 1 14 5863 1 1 27 ALA HB3 H 15.079 -4.725 -1.742 1.00 . A A . 27 ALA HB3 1 1 14 5864 1 1 27 ALA N N 16.024 -3.104 0.245 1.00 . A A . 27 ALA N 1 1 14 5865 1 1 27 ALA O O 18.827 -4.501 -0.447 1.00 . A A . 27 ALA O 1 1 14 5866 1 1 27 ALA OXT O 17.594 -4.274 -2.237 1.00 . A A . 27 ALA OXT 1 1 15 5867 1 1 1 ARG C C 13.255 8.358 2.802 1.00 . A A . 1 ARG C 1 1 15 5868 1 1 1 ARG CA C 12.990 9.833 2.761 1.00 . A A . 1 ARG CA 1 1 15 5869 1 1 1 ARG CB C 14.289 10.625 2.669 1.00 . A A . 1 ARG CB 1 1 15 5870 1 1 1 ARG CD C 15.381 12.853 2.408 1.00 . A A . 1 ARG CD 1 1 15 5871 1 1 1 ARG CG C 14.076 12.122 2.603 1.00 . A A . 1 ARG CG 1 1 15 5872 1 1 1 ARG CZ C 15.643 15.106 1.386 1.00 . A A . 1 ARG CZ 1 1 15 5873 1 1 1 ARG H1 H 12.023 11.198 4.031 1.00 . A A . 1 ARG H1 1 1 15 5874 1 1 1 ARG H2 H 12.716 9.843 4.799 1.00 . A A . 1 ARG H2 1 1 15 5875 1 1 1 ARG H3 H 11.323 9.678 3.880 1.00 . A A . 1 ARG H3 1 1 15 5876 1 1 1 ARG HA H 12.363 10.042 1.907 1.00 . A A . 1 ARG HA 1 1 15 5877 1 1 1 ARG HB2 H 14.892 10.401 3.537 1.00 . A A . 1 ARG HB2 1 1 15 5878 1 1 1 ARG HB3 H 14.826 10.320 1.784 1.00 . A A . 1 ARG HB3 1 1 15 5879 1 1 1 ARG HD2 H 16.038 12.602 3.227 1.00 . A A . 1 ARG HD2 1 1 15 5880 1 1 1 ARG HD3 H 15.825 12.529 1.480 1.00 . A A . 1 ARG HD3 1 1 15 5881 1 1 1 ARG HE H 14.815 14.683 3.202 1.00 . A A . 1 ARG HE 1 1 15 5882 1 1 1 ARG HG2 H 13.427 12.342 1.769 1.00 . A A . 1 ARG HG2 1 1 15 5883 1 1 1 ARG HG3 H 13.612 12.450 3.522 1.00 . A A . 1 ARG HG3 1 1 15 5884 1 1 1 ARG HH11 H 15.880 13.602 0.036 1.00 . A A . 1 ARG HH11 1 1 15 5885 1 1 1 ARG HH12 H 16.281 15.150 -0.549 1.00 . A A . 1 ARG HH12 1 1 15 5886 1 1 1 ARG HH21 H 15.350 16.862 2.379 1.00 . A A . 1 ARG HH21 1 1 15 5887 1 1 1 ARG HH22 H 16.005 17.021 0.815 1.00 . A A . 1 ARG HH22 1 1 15 5888 1 1 1 ARG N N 12.231 10.183 3.948 1.00 . A A . 1 ARG N 1 1 15 5889 1 1 1 ARG NE N 15.210 14.312 2.377 1.00 . A A . 1 ARG NE 1 1 15 5890 1 1 1 ARG NH1 N 15.961 14.587 0.218 1.00 . A A . 1 ARG NH1 1 1 15 5891 1 1 1 ARG NH2 N 15.660 16.413 1.536 1.00 . A A . 1 ARG NH2 1 1 15 5892 1 1 1 ARG O O 14.170 7.898 3.486 1.00 . A A . 1 ARG O 1 1 15 5893 1 1 2 ASN C C 12.168 5.666 0.786 1.00 . A A . 2 ASN C 1 1 15 5894 1 1 2 ASN CA C 12.467 6.181 2.147 1.00 . A A . 2 ASN CA 1 1 15 5895 1 1 2 ASN CB C 11.424 5.602 3.130 1.00 . A A . 2 ASN CB 1 1 15 5896 1 1 2 ASN CG C 11.723 5.883 4.588 1.00 . A A . 2 ASN CG 1 1 15 5897 1 1 2 ASN H H 11.749 8.041 1.550 1.00 . A A . 2 ASN H 1 1 15 5898 1 1 2 ASN HA H 13.450 5.867 2.463 1.00 . A A . 2 ASN HA 1 1 15 5899 1 1 2 ASN HB2 H 10.457 6.028 2.906 1.00 . A A . 2 ASN HB2 1 1 15 5900 1 1 2 ASN HB3 H 11.371 4.532 2.991 1.00 . A A . 2 ASN HB3 1 1 15 5901 1 1 2 ASN HD21 H 12.561 4.114 4.788 1.00 . A A . 2 ASN HD21 1 1 15 5902 1 1 2 ASN HD22 H 12.519 5.086 6.207 1.00 . A A . 2 ASN HD22 1 1 15 5903 1 1 2 ASN N N 12.421 7.618 2.131 1.00 . A A . 2 ASN N 1 1 15 5904 1 1 2 ASN ND2 N 12.330 4.943 5.253 1.00 . A A . 2 ASN ND2 1 1 15 5905 1 1 2 ASN O O 11.417 6.293 0.035 1.00 . A A . 2 ASN O 1 1 15 5906 1 1 2 ASN OD1 O 11.370 6.938 5.113 1.00 . A A . 2 ASN OD1 1 1 15 5907 1 1 3 LYS C C 12.920 2.451 -0.531 1.00 . A A . 3 LYS C 1 1 15 5908 1 1 3 LYS CA C 12.529 3.880 -0.767 1.00 . A A . 3 LYS CA 1 1 15 5909 1 1 3 LYS CB C 13.396 4.412 -1.895 1.00 . A A . 3 LYS CB 1 1 15 5910 1 1 3 LYS CD C 14.070 3.778 -4.242 1.00 . A A . 3 LYS CD 1 1 15 5911 1 1 3 LYS CE C 14.973 2.620 -3.851 1.00 . A A . 3 LYS CE 1 1 15 5912 1 1 3 LYS CG C 12.935 3.913 -3.244 1.00 . A A . 3 LYS CG 1 1 15 5913 1 1 3 LYS H H 13.445 4.147 1.030 1.00 . A A . 3 LYS H 1 1 15 5914 1 1 3 LYS HA H 11.486 3.950 -1.037 1.00 . A A . 3 LYS HA 1 1 15 5915 1 1 3 LYS HB2 H 13.351 5.492 -1.889 1.00 . A A . 3 LYS HB2 1 1 15 5916 1 1 3 LYS HB3 H 14.419 4.104 -1.739 1.00 . A A . 3 LYS HB3 1 1 15 5917 1 1 3 LYS HD2 H 13.673 3.617 -5.232 1.00 . A A . 3 LYS HD2 1 1 15 5918 1 1 3 LYS HD3 H 14.653 4.686 -4.244 1.00 . A A . 3 LYS HD3 1 1 15 5919 1 1 3 LYS HE2 H 15.496 2.873 -2.943 1.00 . A A . 3 LYS HE2 1 1 15 5920 1 1 3 LYS HE3 H 14.356 1.754 -3.667 1.00 . A A . 3 LYS HE3 1 1 15 5921 1 1 3 LYS HG2 H 12.467 2.948 -3.112 1.00 . A A . 3 LYS HG2 1 1 15 5922 1 1 3 LYS HG3 H 12.206 4.618 -3.608 1.00 . A A . 3 LYS HG3 1 1 15 5923 1 1 3 LYS HZ1 H 15.517 1.981 -5.764 1.00 . A A . 3 LYS HZ1 1 1 15 5924 1 1 3 LYS HZ2 H 16.573 1.536 -4.538 1.00 . A A . 3 LYS HZ2 1 1 15 5925 1 1 3 LYS HZ3 H 16.576 3.112 -5.093 1.00 . A A . 3 LYS HZ3 1 1 15 5926 1 1 3 LYS N N 12.776 4.564 0.451 1.00 . A A . 3 LYS N 1 1 15 5927 1 1 3 LYS NZ N 15.961 2.304 -4.880 1.00 . A A . 3 LYS NZ 1 1 15 5928 1 1 3 LYS O O 14.068 2.187 -0.185 1.00 . A A . 3 LYS O 1 1 15 5929 1 1 4 LEU C C 11.319 -0.643 -1.310 1.00 . A A . 4 LEU C 1 1 15 5930 1 1 4 LEU CA C 12.302 0.153 -0.492 1.00 . A A . 4 LEU CA 1 1 15 5931 1 1 4 LEU CB C 12.186 -0.228 0.996 1.00 . A A . 4 LEU CB 1 1 15 5932 1 1 4 LEU CD1 C 14.141 -1.775 1.272 1.00 . A A . 4 LEU CD1 1 1 15 5933 1 1 4 LEU CD2 C 12.180 -1.966 2.803 1.00 . A A . 4 LEU CD2 1 1 15 5934 1 1 4 LEU CG C 12.637 -1.637 1.396 1.00 . A A . 4 LEU CG 1 1 15 5935 1 1 4 LEU H H 11.076 1.814 -0.873 1.00 . A A . 4 LEU H 1 1 15 5936 1 1 4 LEU HA H 13.302 -0.054 -0.841 1.00 . A A . 4 LEU HA 1 1 15 5937 1 1 4 LEU HB2 H 12.791 0.477 1.545 1.00 . A A . 4 LEU HB2 1 1 15 5938 1 1 4 LEU HB3 H 11.156 -0.107 1.300 1.00 . A A . 4 LEU HB3 1 1 15 5939 1 1 4 LEU HD11 H 14.433 -2.781 1.534 1.00 . A A . 4 LEU HD11 1 1 15 5940 1 1 4 LEU HD12 H 14.623 -1.075 1.936 1.00 . A A . 4 LEU HD12 1 1 15 5941 1 1 4 LEU HD13 H 14.437 -1.567 0.256 1.00 . A A . 4 LEU HD13 1 1 15 5942 1 1 4 LEU HD21 H 12.616 -1.263 3.497 1.00 . A A . 4 LEU HD21 1 1 15 5943 1 1 4 LEU HD22 H 12.490 -2.969 3.059 1.00 . A A . 4 LEU HD22 1 1 15 5944 1 1 4 LEU HD23 H 11.104 -1.894 2.844 1.00 . A A . 4 LEU HD23 1 1 15 5945 1 1 4 LEU HG H 12.185 -2.345 0.717 1.00 . A A . 4 LEU HG 1 1 15 5946 1 1 4 LEU N N 12.002 1.552 -0.664 1.00 . A A . 4 LEU N 1 1 15 5947 1 1 4 LEU O O 10.209 -0.167 -1.569 1.00 . A A . 4 LEU O 1 1 15 5948 1 1 5 ALA C C 9.596 -3.043 -1.722 1.00 . A A . 5 ALA C 1 1 15 5949 1 1 5 ALA CA C 10.852 -2.716 -2.500 1.00 . A A . 5 ALA CA 1 1 15 5950 1 1 5 ALA CB C 11.588 -3.994 -2.867 1.00 . A A . 5 ALA CB 1 1 15 5951 1 1 5 ALA H H 12.634 -2.128 -1.525 1.00 . A A . 5 ALA H 1 1 15 5952 1 1 5 ALA HA H 10.573 -2.205 -3.406 1.00 . A A . 5 ALA HA 1 1 15 5953 1 1 5 ALA HB1 H 10.950 -4.618 -3.476 1.00 . A A . 5 ALA HB1 1 1 15 5954 1 1 5 ALA HB2 H 11.860 -4.517 -1.961 1.00 . A A . 5 ALA HB2 1 1 15 5955 1 1 5 ALA HB3 H 12.481 -3.741 -3.416 1.00 . A A . 5 ALA HB3 1 1 15 5956 1 1 5 ALA N N 11.717 -1.834 -1.725 1.00 . A A . 5 ALA N 1 1 15 5957 1 1 5 ALA O O 8.496 -3.086 -2.265 1.00 . A A . 5 ALA O 1 1 15 5958 1 1 6 TYR C C 7.879 -2.323 0.850 1.00 . A A . 6 TYR C 1 1 15 5959 1 1 6 TYR CA C 8.654 -3.553 0.417 1.00 . A A . 6 TYR CA 1 1 15 5960 1 1 6 TYR CB C 9.076 -4.436 1.593 1.00 . A A . 6 TYR CB 1 1 15 5961 1 1 6 TYR CD1 C 10.610 -6.192 0.595 1.00 . A A . 6 TYR CD1 1 1 15 5962 1 1 6 TYR CD2 C 8.454 -6.868 1.356 1.00 . A A . 6 TYR CD2 1 1 15 5963 1 1 6 TYR CE1 C 10.884 -7.491 0.206 1.00 . A A . 6 TYR CE1 1 1 15 5964 1 1 6 TYR CE2 C 8.721 -8.167 0.976 1.00 . A A . 6 TYR CE2 1 1 15 5965 1 1 6 TYR CG C 9.392 -5.858 1.177 1.00 . A A . 6 TYR CG 1 1 15 5966 1 1 6 TYR CZ C 9.934 -8.473 0.399 1.00 . A A . 6 TYR CZ 1 1 15 5967 1 1 6 TYR H H 10.673 -3.143 -0.095 1.00 . A A . 6 TYR H 1 1 15 5968 1 1 6 TYR HA H 7.984 -4.126 -0.206 1.00 . A A . 6 TYR HA 1 1 15 5969 1 1 6 TYR HB2 H 9.953 -4.012 2.057 1.00 . A A . 6 TYR HB2 1 1 15 5970 1 1 6 TYR HB3 H 8.277 -4.470 2.318 1.00 . A A . 6 TYR HB3 1 1 15 5971 1 1 6 TYR HD1 H 11.351 -5.418 0.446 1.00 . A A . 6 TYR HD1 1 1 15 5972 1 1 6 TYR HD2 H 7.502 -6.628 1.806 1.00 . A A . 6 TYR HD2 1 1 15 5973 1 1 6 TYR HE1 H 11.836 -7.731 -0.245 1.00 . A A . 6 TYR HE1 1 1 15 5974 1 1 6 TYR HE2 H 7.982 -8.938 1.132 1.00 . A A . 6 TYR HE2 1 1 15 5975 1 1 6 TYR HH H 11.108 -9.974 0.237 1.00 . A A . 6 TYR HH 1 1 15 5976 1 1 6 TYR N N 9.763 -3.232 -0.445 1.00 . A A . 6 TYR N 1 1 15 5977 1 1 6 TYR O O 6.687 -2.397 1.094 1.00 . A A . 6 TYR O 1 1 15 5978 1 1 6 TYR OH O 10.193 -9.763 0.010 1.00 . A A . 6 TYR OH 1 1 15 5979 1 1 7 ASN C C 6.987 0.522 0.109 1.00 . A A . 7 ASN C 1 1 15 5980 1 1 7 ASN CA C 7.858 0.042 1.248 1.00 . A A . 7 ASN CA 1 1 15 5981 1 1 7 ASN CB C 8.815 1.179 1.685 1.00 . A A . 7 ASN CB 1 1 15 5982 1 1 7 ASN CG C 9.497 1.004 3.042 1.00 . A A . 7 ASN CG 1 1 15 5983 1 1 7 ASN H H 9.475 -1.193 0.618 1.00 . A A . 7 ASN H 1 1 15 5984 1 1 7 ASN HA H 7.204 -0.199 2.071 1.00 . A A . 7 ASN HA 1 1 15 5985 1 1 7 ASN HB2 H 9.594 1.281 0.945 1.00 . A A . 7 ASN HB2 1 1 15 5986 1 1 7 ASN HB3 H 8.247 2.096 1.710 1.00 . A A . 7 ASN HB3 1 1 15 5987 1 1 7 ASN HD21 H 8.046 -0.159 3.717 1.00 . A A . 7 ASN HD21 1 1 15 5988 1 1 7 ASN HD22 H 9.299 0.178 4.823 1.00 . A A . 7 ASN HD22 1 1 15 5989 1 1 7 ASN N N 8.535 -1.192 0.878 1.00 . A A . 7 ASN N 1 1 15 5990 1 1 7 ASN ND2 N 8.897 0.273 3.932 1.00 . A A . 7 ASN ND2 1 1 15 5991 1 1 7 ASN O O 5.796 0.739 0.272 1.00 . A A . 7 ASN O 1 1 15 5992 1 1 7 ASN OD1 O 10.587 1.528 3.267 1.00 . A A . 7 ASN OD1 1 1 15 5993 1 1 8 MET C C 6.026 0.093 -2.840 1.00 . A A . 8 MET C 1 1 15 5994 1 1 8 MET CA C 6.872 1.189 -2.189 1.00 . A A . 8 MET CA 1 1 15 5995 1 1 8 MET CB C 7.842 1.801 -3.219 1.00 . A A . 8 MET CB 1 1 15 5996 1 1 8 MET CE C 5.231 3.941 -3.168 1.00 . A A . 8 MET CE 1 1 15 5997 1 1 8 MET CG C 7.206 2.362 -4.505 1.00 . A A . 8 MET CG 1 1 15 5998 1 1 8 MET H H 8.549 0.516 -1.097 1.00 . A A . 8 MET H 1 1 15 5999 1 1 8 MET HA H 6.214 1.960 -1.826 1.00 . A A . 8 MET HA 1 1 15 6000 1 1 8 MET HB2 H 8.383 2.605 -2.744 1.00 . A A . 8 MET HB2 1 1 15 6001 1 1 8 MET HB3 H 8.554 1.038 -3.499 1.00 . A A . 8 MET HB3 1 1 15 6002 1 1 8 MET HE1 H 5.662 3.761 -2.194 1.00 . A A . 8 MET HE1 1 1 15 6003 1 1 8 MET HE2 H 4.571 3.123 -3.421 1.00 . A A . 8 MET HE2 1 1 15 6004 1 1 8 MET HE3 H 4.664 4.861 -3.145 1.00 . A A . 8 MET HE3 1 1 15 6005 1 1 8 MET HG2 H 7.959 2.356 -5.277 1.00 . A A . 8 MET HG2 1 1 15 6006 1 1 8 MET HG3 H 6.406 1.698 -4.794 1.00 . A A . 8 MET HG3 1 1 15 6007 1 1 8 MET N N 7.587 0.705 -1.029 1.00 . A A . 8 MET N 1 1 15 6008 1 1 8 MET O O 4.801 0.174 -2.869 1.00 . A A . 8 MET O 1 1 15 6009 1 1 8 MET SD S 6.543 4.067 -4.391 1.00 . A A . 8 MET SD 1 1 15 6010 1 1 9 GLY C C 5.091 -2.839 -3.339 1.00 . A A . 9 GLY C 1 1 15 6011 1 1 9 GLY CA C 6.047 -1.966 -4.096 1.00 . A A . 9 GLY CA 1 1 15 6012 1 1 9 GLY H H 7.644 -1.042 -3.082 1.00 . A A . 9 GLY H 1 1 15 6013 1 1 9 GLY HA2 H 5.495 -1.487 -4.891 1.00 . A A . 9 GLY HA2 1 1 15 6014 1 1 9 GLY HA3 H 6.807 -2.595 -4.536 1.00 . A A . 9 GLY HA3 1 1 15 6015 1 1 9 GLY N N 6.692 -0.948 -3.294 1.00 . A A . 9 GLY N 1 1 15 6016 1 1 9 GLY O O 3.987 -3.103 -3.813 1.00 . A A . 9 GLY O 1 1 15 6017 1 1 10 HIS C C 3.392 -3.470 -0.898 1.00 . A A . 10 HIS C 1 1 15 6018 1 1 10 HIS CA C 4.648 -4.194 -1.412 1.00 . A A . 10 HIS CA 1 1 15 6019 1 1 10 HIS CB C 5.459 -4.819 -0.290 1.00 . A A . 10 HIS CB 1 1 15 6020 1 1 10 HIS CD2 C 4.584 -6.342 1.561 1.00 . A A . 10 HIS CD2 1 1 15 6021 1 1 10 HIS CE1 C 4.066 -8.053 0.351 1.00 . A A . 10 HIS CE1 1 1 15 6022 1 1 10 HIS CG C 4.863 -6.034 0.290 1.00 . A A . 10 HIS CG 1 1 15 6023 1 1 10 HIS H H 6.352 -2.977 -1.814 1.00 . A A . 10 HIS H 1 1 15 6024 1 1 10 HIS HA H 4.316 -4.979 -2.081 1.00 . A A . 10 HIS HA 1 1 15 6025 1 1 10 HIS HB2 H 6.415 -5.119 -0.690 1.00 . A A . 10 HIS HB2 1 1 15 6026 1 1 10 HIS HB3 H 5.602 -4.097 0.502 1.00 . A A . 10 HIS HB3 1 1 15 6027 1 1 10 HIS HD1 H 4.570 -7.206 -1.435 1.00 . A A . 10 HIS HD1 1 1 15 6028 1 1 10 HIS HD2 H 4.731 -5.687 2.406 1.00 . A A . 10 HIS HD2 1 1 15 6029 1 1 10 HIS HE1 H 3.727 -9.012 0.002 1.00 . A A . 10 HIS HE1 1 1 15 6030 1 1 10 HIS N N 5.484 -3.275 -2.168 1.00 . A A . 10 HIS N 1 1 15 6031 1 1 10 HIS ND1 N 4.525 -7.128 -0.455 1.00 . A A . 10 HIS ND1 1 1 15 6032 1 1 10 HIS NE2 N 4.074 -7.635 1.609 1.00 . A A . 10 HIS NE2 1 1 15 6033 1 1 10 HIS O O 2.277 -4.007 -0.955 1.00 . A A . 10 HIS O 1 1 15 6034 1 1 11 TYR C C 1.543 -1.027 -1.187 1.00 . A A . 11 TYR C 1 1 15 6035 1 1 11 TYR CA C 2.442 -1.402 -0.046 1.00 . A A . 11 TYR CA 1 1 15 6036 1 1 11 TYR CB C 2.842 -0.180 0.761 1.00 . A A . 11 TYR CB 1 1 15 6037 1 1 11 TYR CD1 C 4.411 -0.743 2.631 1.00 . A A . 11 TYR CD1 1 1 15 6038 1 1 11 TYR CD2 C 2.095 -0.544 3.106 1.00 . A A . 11 TYR CD2 1 1 15 6039 1 1 11 TYR CE1 C 4.660 -1.038 3.960 1.00 . A A . 11 TYR CE1 1 1 15 6040 1 1 11 TYR CE2 C 2.325 -0.830 4.424 1.00 . A A . 11 TYR CE2 1 1 15 6041 1 1 11 TYR CG C 3.128 -0.494 2.192 1.00 . A A . 11 TYR CG 1 1 15 6042 1 1 11 TYR CZ C 3.604 -1.080 4.853 1.00 . A A . 11 TYR CZ 1 1 15 6043 1 1 11 TYR H H 4.476 -1.858 -0.423 1.00 . A A . 11 TYR H 1 1 15 6044 1 1 11 TYR HA H 1.855 -2.045 0.594 1.00 . A A . 11 TYR HA 1 1 15 6045 1 1 11 TYR HB2 H 3.731 0.263 0.338 1.00 . A A . 11 TYR HB2 1 1 15 6046 1 1 11 TYR HB3 H 2.036 0.540 0.736 1.00 . A A . 11 TYR HB3 1 1 15 6047 1 1 11 TYR HD1 H 5.209 -0.693 1.904 1.00 . A A . 11 TYR HD1 1 1 15 6048 1 1 11 TYR HD2 H 1.090 -0.348 2.764 1.00 . A A . 11 TYR HD2 1 1 15 6049 1 1 11 TYR HE1 H 5.667 -1.231 4.297 1.00 . A A . 11 TYR HE1 1 1 15 6050 1 1 11 TYR HE2 H 1.492 -0.860 5.110 1.00 . A A . 11 TYR HE2 1 1 15 6051 1 1 11 TYR HH H 3.095 -1.933 6.463 1.00 . A A . 11 TYR HH 1 1 15 6052 1 1 11 TYR N N 3.567 -2.224 -0.469 1.00 . A A . 11 TYR N 1 1 15 6053 1 1 11 TYR O O 0.363 -0.810 -0.978 1.00 . A A . 11 TYR O 1 1 15 6054 1 1 11 TYR OH O 3.827 -1.369 6.176 1.00 . A A . 11 TYR OH 1 1 15 6055 1 1 12 ALA C C 0.201 -1.722 -3.730 1.00 . A A . 12 ALA C 1 1 15 6056 1 1 12 ALA CA C 1.281 -0.647 -3.570 1.00 . A A . 12 ALA CA 1 1 15 6057 1 1 12 ALA CB C 2.145 -0.560 -4.821 1.00 . A A . 12 ALA CB 1 1 15 6058 1 1 12 ALA H H 3.061 -1.044 -2.499 1.00 . A A . 12 ALA H 1 1 15 6059 1 1 12 ALA HA H 0.800 0.306 -3.406 1.00 . A A . 12 ALA HA 1 1 15 6060 1 1 12 ALA HB1 H 2.888 0.213 -4.698 1.00 . A A . 12 ALA HB1 1 1 15 6061 1 1 12 ALA HB2 H 1.530 -0.332 -5.678 1.00 . A A . 12 ALA HB2 1 1 15 6062 1 1 12 ALA HB3 H 2.643 -1.504 -4.977 1.00 . A A . 12 ALA HB3 1 1 15 6063 1 1 12 ALA N N 2.092 -0.933 -2.393 1.00 . A A . 12 ALA N 1 1 15 6064 1 1 12 ALA O O -0.947 -1.423 -4.071 1.00 . A A . 12 ALA O 1 1 15 6065 1 1 13 GLY C C -1.319 -4.011 -2.292 1.00 . A A . 13 GLY C 1 1 15 6066 1 1 13 GLY CA C -0.375 -4.047 -3.480 1.00 . A A . 13 GLY CA 1 1 15 6067 1 1 13 GLY H H 1.504 -3.113 -3.167 1.00 . A A . 13 GLY H 1 1 15 6068 1 1 13 GLY HA2 H -0.944 -3.980 -4.395 1.00 . A A . 13 GLY HA2 1 1 15 6069 1 1 13 GLY HA3 H 0.164 -4.984 -3.470 1.00 . A A . 13 GLY HA3 1 1 15 6070 1 1 13 GLY N N 0.570 -2.959 -3.430 1.00 . A A . 13 GLY N 1 1 15 6071 1 1 13 GLY O O -2.541 -4.107 -2.452 1.00 . A A . 13 GLY O 1 1 15 6072 1 1 14 LYS C C -2.547 -2.664 0.178 1.00 . A A . 14 LYS C 1 1 15 6073 1 1 14 LYS CA C -1.529 -3.780 0.140 1.00 . A A . 14 LYS CA 1 1 15 6074 1 1 14 LYS CB C -0.654 -3.779 1.402 1.00 . A A . 14 LYS CB 1 1 15 6075 1 1 14 LYS CD C 0.575 -5.951 0.928 1.00 . A A . 14 LYS CD 1 1 15 6076 1 1 14 LYS CE C 0.728 -7.391 1.369 1.00 . A A . 14 LYS CE 1 1 15 6077 1 1 14 LYS CG C -0.273 -5.172 1.904 1.00 . A A . 14 LYS CG 1 1 15 6078 1 1 14 LYS H H 0.221 -3.689 -1.062 1.00 . A A . 14 LYS H 1 1 15 6079 1 1 14 LYS HA H -2.101 -4.695 0.138 1.00 . A A . 14 LYS HA 1 1 15 6080 1 1 14 LYS HB2 H 0.255 -3.238 1.188 1.00 . A A . 14 LYS HB2 1 1 15 6081 1 1 14 LYS HB3 H -1.187 -3.269 2.189 1.00 . A A . 14 LYS HB3 1 1 15 6082 1 1 14 LYS HD2 H 0.097 -5.929 -0.040 1.00 . A A . 14 LYS HD2 1 1 15 6083 1 1 14 LYS HD3 H 1.552 -5.494 0.866 1.00 . A A . 14 LYS HD3 1 1 15 6084 1 1 14 LYS HE2 H -0.256 -7.830 1.400 1.00 . A A . 14 LYS HE2 1 1 15 6085 1 1 14 LYS HE3 H 1.336 -7.918 0.650 1.00 . A A . 14 LYS HE3 1 1 15 6086 1 1 14 LYS HG2 H 0.288 -5.081 2.821 1.00 . A A . 14 LYS HG2 1 1 15 6087 1 1 14 LYS HG3 H -1.178 -5.728 2.093 1.00 . A A . 14 LYS HG3 1 1 15 6088 1 1 14 LYS HZ1 H 0.780 -7.018 3.432 1.00 . A A . 14 LYS HZ1 1 1 15 6089 1 1 14 LYS HZ2 H 2.296 -7.115 2.748 1.00 . A A . 14 LYS HZ2 1 1 15 6090 1 1 14 LYS HZ3 H 1.390 -8.509 3.005 1.00 . A A . 14 LYS HZ3 1 1 15 6091 1 1 14 LYS N N -0.752 -3.817 -1.102 1.00 . A A . 14 LYS N 1 1 15 6092 1 1 14 LYS NZ N 1.335 -7.514 2.706 1.00 . A A . 14 LYS NZ 1 1 15 6093 1 1 14 LYS O O -3.680 -2.878 0.595 1.00 . A A . 14 LYS O 1 1 15 6094 1 1 15 ALA C C -4.154 -0.587 -1.352 1.00 . A A . 15 ALA C 1 1 15 6095 1 1 15 ALA CA C -3.080 -0.387 -0.305 1.00 . A A . 15 ALA CA 1 1 15 6096 1 1 15 ALA CB C -2.346 0.920 -0.511 1.00 . A A . 15 ALA CB 1 1 15 6097 1 1 15 ALA H H -1.256 -1.376 -0.610 1.00 . A A . 15 ALA H 1 1 15 6098 1 1 15 ALA HA H -3.564 -0.359 0.660 1.00 . A A . 15 ALA HA 1 1 15 6099 1 1 15 ALA HB1 H -3.066 1.726 -0.483 1.00 . A A . 15 ALA HB1 1 1 15 6100 1 1 15 ALA HB2 H -1.841 0.904 -1.464 1.00 . A A . 15 ALA HB2 1 1 15 6101 1 1 15 ALA HB3 H -1.626 1.051 0.284 1.00 . A A . 15 ALA HB3 1 1 15 6102 1 1 15 ALA N N -2.176 -1.505 -0.289 1.00 . A A . 15 ALA N 1 1 15 6103 1 1 15 ALA O O -5.243 -0.072 -1.226 1.00 . A A . 15 ALA O 1 1 15 6104 1 1 16 THR C C -5.845 -2.679 -2.870 1.00 . A A . 16 THR C 1 1 15 6105 1 1 16 THR CA C -4.844 -1.614 -3.371 1.00 . A A . 16 THR CA 1 1 15 6106 1 1 16 THR CB C -4.221 -2.002 -4.718 1.00 . A A . 16 THR CB 1 1 15 6107 1 1 16 THR CG2 C -5.308 -2.170 -5.765 1.00 . A A . 16 THR CG2 1 1 15 6108 1 1 16 THR H H -2.948 -1.689 -2.470 1.00 . A A . 16 THR H 1 1 15 6109 1 1 16 THR HA H -5.402 -0.699 -3.504 1.00 . A A . 16 THR HA 1 1 15 6110 1 1 16 THR HB H -3.663 -2.921 -4.621 1.00 . A A . 16 THR HB 1 1 15 6111 1 1 16 THR HG1 H -2.456 -1.119 -4.786 1.00 . A A . 16 THR HG1 1 1 15 6112 1 1 16 THR HG21 H -5.980 -2.962 -5.465 1.00 . A A . 16 THR HG21 1 1 15 6113 1 1 16 THR HG22 H -4.877 -2.393 -6.729 1.00 . A A . 16 THR HG22 1 1 15 6114 1 1 16 THR HG23 H -5.864 -1.244 -5.813 1.00 . A A . 16 THR HG23 1 1 15 6115 1 1 16 THR N N -3.852 -1.325 -2.378 1.00 . A A . 16 THR N 1 1 15 6116 1 1 16 THR O O -7.032 -2.593 -3.132 1.00 . A A . 16 THR O 1 1 15 6117 1 1 16 THR OG1 O -3.343 -0.938 -5.130 1.00 . A A . 16 THR OG1 1 1 15 6118 1 1 17 ILE C C -7.027 -4.089 -0.383 1.00 . A A . 17 ILE C 1 1 15 6119 1 1 17 ILE CA C -6.303 -4.653 -1.631 1.00 . A A . 17 ILE CA 1 1 15 6120 1 1 17 ILE CB C -5.634 -6.086 -1.419 1.00 . A A . 17 ILE CB 1 1 15 6121 1 1 17 ILE CD1 C -7.286 -7.173 0.316 1.00 . A A . 17 ILE CD1 1 1 15 6122 1 1 17 ILE CG1 C -6.645 -7.229 -1.057 1.00 . A A . 17 ILE CG1 1 1 15 6123 1 1 17 ILE CG2 C -4.454 -6.062 -0.463 1.00 . A A . 17 ILE CG2 1 1 15 6124 1 1 17 ILE H H -4.407 -3.755 -2.001 1.00 . A A . 17 ILE H 1 1 15 6125 1 1 17 ILE HA H -7.075 -4.740 -2.384 1.00 . A A . 17 ILE HA 1 1 15 6126 1 1 17 ILE HB H -5.195 -6.321 -2.377 1.00 . A A . 17 ILE HB 1 1 15 6127 1 1 17 ILE HD11 H -7.963 -8.006 0.431 1.00 . A A . 17 ILE HD11 1 1 15 6128 1 1 17 ILE HD12 H -7.831 -6.247 0.417 1.00 . A A . 17 ILE HD12 1 1 15 6129 1 1 17 ILE HD13 H -6.519 -7.223 1.075 1.00 . A A . 17 ILE HD13 1 1 15 6130 1 1 17 ILE HG12 H -7.457 -7.218 -1.766 1.00 . A A . 17 ILE HG12 1 1 15 6131 1 1 17 ILE HG13 H -6.130 -8.175 -1.142 1.00 . A A . 17 ILE HG13 1 1 15 6132 1 1 17 ILE HG21 H -4.778 -5.689 0.497 1.00 . A A . 17 ILE HG21 1 1 15 6133 1 1 17 ILE HG22 H -3.706 -5.399 -0.870 1.00 . A A . 17 ILE HG22 1 1 15 6134 1 1 17 ILE HG23 H -4.053 -7.059 -0.354 1.00 . A A . 17 ILE HG23 1 1 15 6135 1 1 17 ILE N N -5.375 -3.677 -2.157 1.00 . A A . 17 ILE N 1 1 15 6136 1 1 17 ILE O O -8.237 -4.025 -0.353 1.00 . A A . 17 ILE O 1 1 15 6137 1 1 18 PHE C C -7.382 -1.729 1.744 1.00 . A A . 18 PHE C 1 1 15 6138 1 1 18 PHE CA C -6.842 -3.147 1.852 1.00 . A A . 18 PHE CA 1 1 15 6139 1 1 18 PHE CB C -5.839 -3.261 2.989 1.00 . A A . 18 PHE CB 1 1 15 6140 1 1 18 PHE CD1 C -6.308 -5.641 3.514 1.00 . A A . 18 PHE CD1 1 1 15 6141 1 1 18 PHE CD2 C -4.053 -4.996 3.177 1.00 . A A . 18 PHE CD2 1 1 15 6142 1 1 18 PHE CE1 C -5.912 -6.936 3.746 1.00 . A A . 18 PHE CE1 1 1 15 6143 1 1 18 PHE CE2 C -3.647 -6.291 3.405 1.00 . A A . 18 PHE CE2 1 1 15 6144 1 1 18 PHE CG C -5.388 -4.662 3.226 1.00 . A A . 18 PHE CG 1 1 15 6145 1 1 18 PHE CZ C -4.579 -7.262 3.692 1.00 . A A . 18 PHE CZ 1 1 15 6146 1 1 18 PHE H H -5.298 -3.629 0.497 1.00 . A A . 18 PHE H 1 1 15 6147 1 1 18 PHE HA H -7.681 -3.786 2.087 1.00 . A A . 18 PHE HA 1 1 15 6148 1 1 18 PHE HB2 H -4.970 -2.665 2.753 1.00 . A A . 18 PHE HB2 1 1 15 6149 1 1 18 PHE HB3 H -6.295 -2.895 3.897 1.00 . A A . 18 PHE HB3 1 1 15 6150 1 1 18 PHE HD1 H -7.351 -5.365 3.537 1.00 . A A . 18 PHE HD1 1 1 15 6151 1 1 18 PHE HD2 H -3.327 -4.229 2.948 1.00 . A A . 18 PHE HD2 1 1 15 6152 1 1 18 PHE HE1 H -6.651 -7.689 3.971 1.00 . A A . 18 PHE HE1 1 1 15 6153 1 1 18 PHE HE2 H -2.599 -6.544 3.364 1.00 . A A . 18 PHE HE2 1 1 15 6154 1 1 18 PHE HZ H -4.262 -8.278 3.874 1.00 . A A . 18 PHE HZ 1 1 15 6155 1 1 18 PHE N N -6.276 -3.647 0.601 1.00 . A A . 18 PHE N 1 1 15 6156 1 1 18 PHE O O -8.555 -1.481 2.012 1.00 . A A . 18 PHE O 1 1 15 6157 1 1 19 GLY C C -8.006 0.866 0.341 1.00 . A A . 19 GLY C 1 1 15 6158 1 1 19 GLY CA C -6.863 0.606 1.281 1.00 . A A . 19 GLY CA 1 1 15 6159 1 1 19 GLY H H -5.611 -1.097 1.098 1.00 . A A . 19 GLY H 1 1 15 6160 1 1 19 GLY HA2 H -7.113 0.971 2.263 1.00 . A A . 19 GLY HA2 1 1 15 6161 1 1 19 GLY HA3 H -6.005 1.152 0.917 1.00 . A A . 19 GLY HA3 1 1 15 6162 1 1 19 GLY N N -6.512 -0.809 1.354 1.00 . A A . 19 GLY N 1 1 15 6163 1 1 19 GLY O O -8.993 1.501 0.701 1.00 . A A . 19 GLY O 1 1 15 6164 1 1 20 LEU C C -10.226 -0.107 -1.429 1.00 . A A . 20 LEU C 1 1 15 6165 1 1 20 LEU CA C -8.904 0.527 -1.870 1.00 . A A . 20 LEU CA 1 1 15 6166 1 1 20 LEU CB C -8.474 -0.038 -3.207 1.00 . A A . 20 LEU CB 1 1 15 6167 1 1 20 LEU CD1 C -7.945 1.986 -4.549 1.00 . A A . 20 LEU CD1 1 1 15 6168 1 1 20 LEU CD2 C -8.878 -0.041 -5.676 1.00 . A A . 20 LEU CD2 1 1 15 6169 1 1 20 LEU CG C -8.868 0.790 -4.415 1.00 . A A . 20 LEU CG 1 1 15 6170 1 1 20 LEU H H -7.037 -0.091 -1.089 1.00 . A A . 20 LEU H 1 1 15 6171 1 1 20 LEU HA H -9.071 1.588 -1.976 1.00 . A A . 20 LEU HA 1 1 15 6172 1 1 20 LEU HB2 H -7.398 -0.143 -3.193 1.00 . A A . 20 LEU HB2 1 1 15 6173 1 1 20 LEU HB3 H -8.903 -1.022 -3.321 1.00 . A A . 20 LEU HB3 1 1 15 6174 1 1 20 LEU HD11 H -8.262 2.602 -5.378 1.00 . A A . 20 LEU HD11 1 1 15 6175 1 1 20 LEU HD12 H -6.947 1.615 -4.735 1.00 . A A . 20 LEU HD12 1 1 15 6176 1 1 20 LEU HD13 H -7.949 2.558 -3.635 1.00 . A A . 20 LEU HD13 1 1 15 6177 1 1 20 LEU HD21 H -9.145 0.595 -6.505 1.00 . A A . 20 LEU HD21 1 1 15 6178 1 1 20 LEU HD22 H -9.613 -0.827 -5.579 1.00 . A A . 20 LEU HD22 1 1 15 6179 1 1 20 LEU HD23 H -7.898 -0.463 -5.841 1.00 . A A . 20 LEU HD23 1 1 15 6180 1 1 20 LEU HG H -9.863 1.169 -4.239 1.00 . A A . 20 LEU HG 1 1 15 6181 1 1 20 LEU N N -7.883 0.360 -0.864 1.00 . A A . 20 LEU N 1 1 15 6182 1 1 20 LEU O O -11.275 0.371 -1.802 1.00 . A A . 20 LEU O 1 1 15 6183 1 1 21 ALA C C -12.180 -0.857 0.752 1.00 . A A . 21 ALA C 1 1 15 6184 1 1 21 ALA CA C -11.380 -1.821 -0.116 1.00 . A A . 21 ALA CA 1 1 15 6185 1 1 21 ALA CB C -11.044 -3.065 0.673 1.00 . A A . 21 ALA CB 1 1 15 6186 1 1 21 ALA H H -9.312 -1.568 -0.348 1.00 . A A . 21 ALA H 1 1 15 6187 1 1 21 ALA HA H -11.976 -2.102 -0.973 1.00 . A A . 21 ALA HA 1 1 15 6188 1 1 21 ALA HB1 H -10.466 -3.742 0.061 1.00 . A A . 21 ALA HB1 1 1 15 6189 1 1 21 ALA HB2 H -11.957 -3.547 0.987 1.00 . A A . 21 ALA HB2 1 1 15 6190 1 1 21 ALA HB3 H -10.466 -2.785 1.541 1.00 . A A . 21 ALA HB3 1 1 15 6191 1 1 21 ALA N N -10.171 -1.182 -0.622 1.00 . A A . 21 ALA N 1 1 15 6192 1 1 21 ALA O O -13.397 -0.914 0.789 1.00 . A A . 21 ALA O 1 1 15 6193 1 1 22 ALA C C -12.904 2.022 1.403 1.00 . A A . 22 ALA C 1 1 15 6194 1 1 22 ALA CA C -12.132 1.039 2.256 1.00 . A A . 22 ALA CA 1 1 15 6195 1 1 22 ALA CB C -11.115 1.762 3.126 1.00 . A A . 22 ALA CB 1 1 15 6196 1 1 22 ALA H H -10.511 0.056 1.319 1.00 . A A . 22 ALA H 1 1 15 6197 1 1 22 ALA HA H -12.842 0.534 2.891 1.00 . A A . 22 ALA HA 1 1 15 6198 1 1 22 ALA HB1 H -10.569 1.050 3.728 1.00 . A A . 22 ALA HB1 1 1 15 6199 1 1 22 ALA HB2 H -11.628 2.462 3.770 1.00 . A A . 22 ALA HB2 1 1 15 6200 1 1 22 ALA HB3 H -10.425 2.304 2.495 1.00 . A A . 22 ALA HB3 1 1 15 6201 1 1 22 ALA N N -11.488 0.042 1.413 1.00 . A A . 22 ALA N 1 1 15 6202 1 1 22 ALA O O -13.912 2.554 1.811 1.00 . A A . 22 ALA O 1 1 15 6203 1 1 23 TRP C C -14.119 2.468 -1.520 1.00 . A A . 23 TRP C 1 1 15 6204 1 1 23 TRP CA C -13.086 3.174 -0.650 1.00 . A A . 23 TRP CA 1 1 15 6205 1 1 23 TRP CB C -12.080 3.955 -1.479 1.00 . A A . 23 TRP CB 1 1 15 6206 1 1 23 TRP CD1 C -12.587 6.317 -2.335 1.00 . A A . 23 TRP CD1 1 1 15 6207 1 1 23 TRP CD2 C -12.281 6.169 -0.126 1.00 . A A . 23 TRP CD2 1 1 15 6208 1 1 23 TRP CE2 C -12.558 7.504 -0.443 1.00 . A A . 23 TRP CE2 1 1 15 6209 1 1 23 TRP CE3 C -12.057 5.822 1.209 1.00 . A A . 23 TRP CE3 1 1 15 6210 1 1 23 TRP CG C -12.292 5.427 -1.348 1.00 . A A . 23 TRP CG 1 1 15 6211 1 1 23 TRP CH2 C -12.392 8.130 1.825 1.00 . A A . 23 TRP CH2 1 1 15 6212 1 1 23 TRP CZ2 C -12.615 8.500 0.527 1.00 . A A . 23 TRP CZ2 1 1 15 6213 1 1 23 TRP CZ3 C -12.115 6.802 2.169 1.00 . A A . 23 TRP CZ3 1 1 15 6214 1 1 23 TRP H H -11.592 1.816 -0.060 1.00 . A A . 23 TRP H 1 1 15 6215 1 1 23 TRP HA H -13.612 3.874 -0.015 1.00 . A A . 23 TRP HA 1 1 15 6216 1 1 23 TRP HB2 H -11.077 3.704 -1.157 1.00 . A A . 23 TRP HB2 1 1 15 6217 1 1 23 TRP HB3 H -12.184 3.677 -2.516 1.00 . A A . 23 TRP HB3 1 1 15 6218 1 1 23 TRP HD1 H -12.673 6.068 -3.380 1.00 . A A . 23 TRP HD1 1 1 15 6219 1 1 23 TRP HE1 H -12.951 8.388 -2.307 1.00 . A A . 23 TRP HE1 1 1 15 6220 1 1 23 TRP HE3 H -11.847 4.800 1.485 1.00 . A A . 23 TRP HE3 1 1 15 6221 1 1 23 TRP HH2 H -12.433 8.869 2.609 1.00 . A A . 23 TRP HH2 1 1 15 6222 1 1 23 TRP HZ2 H -12.829 9.529 0.279 1.00 . A A . 23 TRP HZ2 1 1 15 6223 1 1 23 TRP HZ3 H -11.946 6.542 3.204 1.00 . A A . 23 TRP HZ3 1 1 15 6224 1 1 23 TRP N N -12.418 2.264 0.222 1.00 . A A . 23 TRP N 1 1 15 6225 1 1 23 TRP NE1 N -12.739 7.573 -1.798 1.00 . A A . 23 TRP NE1 1 1 15 6226 1 1 23 TRP O O -15.174 2.984 -1.755 1.00 . A A . 23 TRP O 1 1 15 6227 1 1 24 ALA C C -15.799 -0.149 -2.033 1.00 . A A . 24 ALA C 1 1 15 6228 1 1 24 ALA CA C -14.680 0.524 -2.835 1.00 . A A . 24 ALA CA 1 1 15 6229 1 1 24 ALA CB C -13.884 -0.507 -3.625 1.00 . A A . 24 ALA CB 1 1 15 6230 1 1 24 ALA H H -12.895 0.938 -1.794 1.00 . A A . 24 ALA H 1 1 15 6231 1 1 24 ALA HA H -15.127 1.204 -3.544 1.00 . A A . 24 ALA HA 1 1 15 6232 1 1 24 ALA HB1 H -13.440 -1.209 -2.935 1.00 . A A . 24 ALA HB1 1 1 15 6233 1 1 24 ALA HB2 H -13.105 -0.007 -4.184 1.00 . A A . 24 ALA HB2 1 1 15 6234 1 1 24 ALA HB3 H -14.536 -1.033 -4.306 1.00 . A A . 24 ALA HB3 1 1 15 6235 1 1 24 ALA N N -13.786 1.298 -1.997 1.00 . A A . 24 ALA N 1 1 15 6236 1 1 24 ALA O O -16.970 0.047 -2.293 1.00 . A A . 24 ALA O 1 1 15 6237 1 1 25 LEU C C -16.993 -1.034 0.877 1.00 . A A . 25 LEU C 1 1 15 6238 1 1 25 LEU CA C -16.330 -1.772 -0.294 1.00 . A A . 25 LEU CA 1 1 15 6239 1 1 25 LEU CB C -15.656 -3.068 0.206 1.00 . A A . 25 LEU CB 1 1 15 6240 1 1 25 LEU CD1 C -16.717 -4.607 -1.512 1.00 . A A . 25 LEU CD1 1 1 15 6241 1 1 25 LEU CD2 C -14.338 -3.863 -1.830 1.00 . A A . 25 LEU CD2 1 1 15 6242 1 1 25 LEU CG C -15.423 -4.207 -0.816 1.00 . A A . 25 LEU CG 1 1 15 6243 1 1 25 LEU H H -14.452 -1.028 -0.873 1.00 . A A . 25 LEU H 1 1 15 6244 1 1 25 LEU HA H -17.119 -2.065 -0.968 1.00 . A A . 25 LEU HA 1 1 15 6245 1 1 25 LEU HB2 H -14.676 -2.789 0.573 1.00 . A A . 25 LEU HB2 1 1 15 6246 1 1 25 LEU HB3 H -16.247 -3.444 1.028 1.00 . A A . 25 LEU HB3 1 1 15 6247 1 1 25 LEU HD11 H -17.117 -3.768 -2.061 1.00 . A A . 25 LEU HD11 1 1 15 6248 1 1 25 LEU HD12 H -17.443 -4.931 -0.781 1.00 . A A . 25 LEU HD12 1 1 15 6249 1 1 25 LEU HD13 H -16.520 -5.417 -2.199 1.00 . A A . 25 LEU HD13 1 1 15 6250 1 1 25 LEU HD21 H -14.642 -2.990 -2.387 1.00 . A A . 25 LEU HD21 1 1 15 6251 1 1 25 LEU HD22 H -14.194 -4.693 -2.508 1.00 . A A . 25 LEU HD22 1 1 15 6252 1 1 25 LEU HD23 H -13.410 -3.658 -1.320 1.00 . A A . 25 LEU HD23 1 1 15 6253 1 1 25 LEU HG H -15.099 -5.075 -0.259 1.00 . A A . 25 LEU HG 1 1 15 6254 1 1 25 LEU N N -15.408 -0.968 -1.084 1.00 . A A . 25 LEU N 1 1 15 6255 1 1 25 LEU O O -18.083 -1.414 1.312 1.00 . A A . 25 LEU O 1 1 15 6256 1 1 26 LEU C C -17.591 1.945 2.235 1.00 . A A . 26 LEU C 1 1 15 6257 1 1 26 LEU CA C -16.853 0.666 2.587 1.00 . A A . 26 LEU CA 1 1 15 6258 1 1 26 LEU CB C -15.707 0.941 3.573 1.00 . A A . 26 LEU CB 1 1 15 6259 1 1 26 LEU CD1 C -16.926 1.063 5.786 1.00 . A A . 26 LEU CD1 1 1 15 6260 1 1 26 LEU CD2 C -14.747 2.274 5.485 1.00 . A A . 26 LEU CD2 1 1 15 6261 1 1 26 LEU CG C -16.025 1.794 4.808 1.00 . A A . 26 LEU CG 1 1 15 6262 1 1 26 LEU H H -15.493 0.276 1.015 1.00 . A A . 26 LEU H 1 1 15 6263 1 1 26 LEU HA H -17.557 0.004 3.055 1.00 . A A . 26 LEU HA 1 1 15 6264 1 1 26 LEU HB2 H -15.336 -0.014 3.917 1.00 . A A . 26 LEU HB2 1 1 15 6265 1 1 26 LEU HB3 H -14.913 1.429 3.027 1.00 . A A . 26 LEU HB3 1 1 15 6266 1 1 26 LEU HD11 H -16.434 0.165 6.128 1.00 . A A . 26 LEU HD11 1 1 15 6267 1 1 26 LEU HD12 H -17.852 0.802 5.299 1.00 . A A . 26 LEU HD12 1 1 15 6268 1 1 26 LEU HD13 H -17.125 1.707 6.630 1.00 . A A . 26 LEU HD13 1 1 15 6269 1 1 26 LEU HD21 H -15.003 2.851 6.361 1.00 . A A . 26 LEU HD21 1 1 15 6270 1 1 26 LEU HD22 H -14.184 2.899 4.807 1.00 . A A . 26 LEU HD22 1 1 15 6271 1 1 26 LEU HD23 H -14.151 1.423 5.776 1.00 . A A . 26 LEU HD23 1 1 15 6272 1 1 26 LEU HG H -16.561 2.663 4.454 1.00 . A A . 26 LEU HG 1 1 15 6273 1 1 26 LEU N N -16.340 -0.022 1.406 1.00 . A A . 26 LEU N 1 1 15 6274 1 1 26 LEU O O -18.494 2.370 2.959 1.00 . A A . 26 LEU O 1 1 15 6275 1 1 27 ALA C C -18.734 3.656 -0.462 1.00 . A A . 27 ALA C 1 1 15 6276 1 1 27 ALA CA C -17.792 3.801 0.735 1.00 . A A . 27 ALA CA 1 1 15 6277 1 1 27 ALA CB C -16.688 4.809 0.453 1.00 . A A . 27 ALA CB 1 1 15 6278 1 1 27 ALA H H -16.560 2.054 0.603 1.00 . A A . 27 ALA H 1 1 15 6279 1 1 27 ALA HA H -18.364 4.163 1.576 1.00 . A A . 27 ALA HA 1 1 15 6280 1 1 27 ALA HB1 H -16.037 4.880 1.310 1.00 . A A . 27 ALA HB1 1 1 15 6281 1 1 27 ALA HB2 H -17.126 5.776 0.259 1.00 . A A . 27 ALA HB2 1 1 15 6282 1 1 27 ALA HB3 H -16.118 4.493 -0.407 1.00 . A A . 27 ALA HB3 1 1 15 6283 1 1 27 ALA N N -17.223 2.525 1.147 1.00 . A A . 27 ALA N 1 1 15 6284 1 1 27 ALA O O -19.956 3.516 -0.247 1.00 . A A . 27 ALA O 1 1 15 6285 1 1 27 ALA OXT O -18.256 3.685 -1.607 1.00 . A A . 27 ALA OXT 1 1 16 6286 1 1 1 ARG C C 14.231 -8.471 0.593 1.00 . A A . 1 ARG C 1 1 16 6287 1 1 1 ARG CA C 13.665 -9.137 -0.645 1.00 . A A . 1 ARG CA 1 1 16 6288 1 1 1 ARG CB C 13.380 -10.631 -0.393 1.00 . A A . 1 ARG CB 1 1 16 6289 1 1 1 ARG CD C 11.536 -10.334 1.356 1.00 . A A . 1 ARG CD 1 1 16 6290 1 1 1 ARG CG C 11.951 -10.971 0.041 1.00 . A A . 1 ARG CG 1 1 16 6291 1 1 1 ARG CZ C 11.922 -10.808 3.761 1.00 . A A . 1 ARG CZ 1 1 16 6292 1 1 1 ARG H1 H 14.377 -9.410 -2.575 1.00 . A A . 1 ARG H1 1 1 16 6293 1 1 1 ARG H2 H 15.567 -9.405 -1.359 1.00 . A A . 1 ARG H2 1 1 16 6294 1 1 1 ARG H3 H 14.839 -7.972 -1.823 1.00 . A A . 1 ARG H3 1 1 16 6295 1 1 1 ARG HA H 12.768 -8.620 -0.953 1.00 . A A . 1 ARG HA 1 1 16 6296 1 1 1 ARG HB2 H 13.585 -11.177 -1.300 1.00 . A A . 1 ARG HB2 1 1 16 6297 1 1 1 ARG HB3 H 14.052 -10.984 0.375 1.00 . A A . 1 ARG HB3 1 1 16 6298 1 1 1 ARG HD2 H 11.639 -9.264 1.255 1.00 . A A . 1 ARG HD2 1 1 16 6299 1 1 1 ARG HD3 H 10.501 -10.577 1.544 1.00 . A A . 1 ARG HD3 1 1 16 6300 1 1 1 ARG HE H 13.280 -11.043 2.300 1.00 . A A . 1 ARG HE 1 1 16 6301 1 1 1 ARG HG2 H 11.270 -10.626 -0.722 1.00 . A A . 1 ARG HG2 1 1 16 6302 1 1 1 ARG HG3 H 11.867 -12.045 0.128 1.00 . A A . 1 ARG HG3 1 1 16 6303 1 1 1 ARG HH11 H 9.972 -10.282 3.350 1.00 . A A . 1 ARG HH11 1 1 16 6304 1 1 1 ARG HH12 H 10.338 -10.524 5.005 1.00 . A A . 1 ARG HH12 1 1 16 6305 1 1 1 ARG HH21 H 13.723 -11.379 4.561 1.00 . A A . 1 ARG HH21 1 1 16 6306 1 1 1 ARG HH22 H 12.466 -11.152 5.692 1.00 . A A . 1 ARG HH22 1 1 16 6307 1 1 1 ARG N N 14.672 -8.986 -1.673 1.00 . A A . 1 ARG N 1 1 16 6308 1 1 1 ARG NE N 12.348 -10.780 2.498 1.00 . A A . 1 ARG NE 1 1 16 6309 1 1 1 ARG NH1 N 10.657 -10.518 4.053 1.00 . A A . 1 ARG NH1 1 1 16 6310 1 1 1 ARG NH2 N 12.757 -11.141 4.730 1.00 . A A . 1 ARG NH2 1 1 16 6311 1 1 1 ARG O O 14.769 -9.127 1.484 1.00 . A A . 1 ARG O 1 1 16 6312 1 1 2 ASN C C 13.718 -5.532 2.278 1.00 . A A . 2 ASN C 1 1 16 6313 1 1 2 ASN CA C 14.790 -6.367 1.640 1.00 . A A . 2 ASN CA 1 1 16 6314 1 1 2 ASN CB C 15.867 -5.399 1.050 1.00 . A A . 2 ASN CB 1 1 16 6315 1 1 2 ASN CG C 16.941 -6.056 0.162 1.00 . A A . 2 ASN CG 1 1 16 6316 1 1 2 ASN H H 13.689 -6.684 -0.104 1.00 . A A . 2 ASN H 1 1 16 6317 1 1 2 ASN HA H 15.256 -7.014 2.370 1.00 . A A . 2 ASN HA 1 1 16 6318 1 1 2 ASN HB2 H 15.360 -4.656 0.452 1.00 . A A . 2 ASN HB2 1 1 16 6319 1 1 2 ASN HB3 H 16.359 -4.897 1.870 1.00 . A A . 2 ASN HB3 1 1 16 6320 1 1 2 ASN HD21 H 18.328 -4.717 0.702 1.00 . A A . 2 ASN HD21 1 1 16 6321 1 1 2 ASN HD22 H 18.787 -5.906 -0.461 1.00 . A A . 2 ASN HD22 1 1 16 6322 1 1 2 ASN N N 14.173 -7.164 0.604 1.00 . A A . 2 ASN N 1 1 16 6323 1 1 2 ASN ND2 N 18.129 -5.506 0.151 1.00 . A A . 2 ASN ND2 1 1 16 6324 1 1 2 ASN O O 12.641 -5.353 1.695 1.00 . A A . 2 ASN O 1 1 16 6325 1 1 2 ASN OD1 O 16.697 -7.048 -0.516 1.00 . A A . 2 ASN OD1 1 1 16 6326 1 1 3 LYS C C 13.477 -2.746 3.801 1.00 . A A . 3 LYS C 1 1 16 6327 1 1 3 LYS CA C 13.066 -4.159 4.120 1.00 . A A . 3 LYS CA 1 1 16 6328 1 1 3 LYS CB C 13.117 -4.348 5.625 1.00 . A A . 3 LYS CB 1 1 16 6329 1 1 3 LYS CD C 12.693 -2.969 7.686 1.00 . A A . 3 LYS CD 1 1 16 6330 1 1 3 LYS CE C 13.840 -1.992 7.445 1.00 . A A . 3 LYS CE 1 1 16 6331 1 1 3 LYS CG C 12.122 -3.471 6.376 1.00 . A A . 3 LYS CG 1 1 16 6332 1 1 3 LYS H H 14.829 -5.260 3.894 1.00 . A A . 3 LYS H 1 1 16 6333 1 1 3 LYS HA H 12.063 -4.338 3.763 1.00 . A A . 3 LYS HA 1 1 16 6334 1 1 3 LYS HB2 H 12.897 -5.383 5.841 1.00 . A A . 3 LYS HB2 1 1 16 6335 1 1 3 LYS HB3 H 14.112 -4.126 5.973 1.00 . A A . 3 LYS HB3 1 1 16 6336 1 1 3 LYS HD2 H 11.916 -2.461 8.236 1.00 . A A . 3 LYS HD2 1 1 16 6337 1 1 3 LYS HD3 H 13.058 -3.805 8.259 1.00 . A A . 3 LYS HD3 1 1 16 6338 1 1 3 LYS HE2 H 14.630 -2.483 6.894 1.00 . A A . 3 LYS HE2 1 1 16 6339 1 1 3 LYS HE3 H 13.478 -1.172 6.840 1.00 . A A . 3 LYS HE3 1 1 16 6340 1 1 3 LYS HG2 H 11.859 -2.625 5.757 1.00 . A A . 3 LYS HG2 1 1 16 6341 1 1 3 LYS HG3 H 11.227 -4.043 6.579 1.00 . A A . 3 LYS HG3 1 1 16 6342 1 1 3 LYS HZ1 H 15.139 -0.791 8.536 1.00 . A A . 3 LYS HZ1 1 1 16 6343 1 1 3 LYS HZ2 H 14.745 -2.244 9.299 1.00 . A A . 3 LYS HZ2 1 1 16 6344 1 1 3 LYS HZ3 H 13.635 -0.996 9.255 1.00 . A A . 3 LYS HZ3 1 1 16 6345 1 1 3 LYS N N 13.981 -5.042 3.452 1.00 . A A . 3 LYS N 1 1 16 6346 1 1 3 LYS NZ N 14.378 -1.473 8.705 1.00 . A A . 3 LYS NZ 1 1 16 6347 1 1 3 LYS O O 14.560 -2.306 4.195 1.00 . A A . 3 LYS O 1 1 16 6348 1 1 4 LEU C C 11.771 0.171 2.987 1.00 . A A . 4 LEU C 1 1 16 6349 1 1 4 LEU CA C 12.967 -0.713 2.719 1.00 . A A . 4 LEU CA 1 1 16 6350 1 1 4 LEU CB C 13.358 -0.698 1.248 1.00 . A A . 4 LEU CB 1 1 16 6351 1 1 4 LEU CD1 C 15.058 1.164 1.230 1.00 . A A . 4 LEU CD1 1 1 16 6352 1 1 4 LEU CD2 C 13.856 0.534 -0.873 1.00 . A A . 4 LEU CD2 1 1 16 6353 1 1 4 LEU CG C 13.758 0.647 0.635 1.00 . A A . 4 LEU CG 1 1 16 6354 1 1 4 LEU H H 11.808 -2.444 2.795 1.00 . A A . 4 LEU H 1 1 16 6355 1 1 4 LEU HA H 13.805 -0.374 3.309 1.00 . A A . 4 LEU HA 1 1 16 6356 1 1 4 LEU HB2 H 14.212 -1.358 1.206 1.00 . A A . 4 LEU HB2 1 1 16 6357 1 1 4 LEU HB3 H 12.560 -1.135 0.668 1.00 . A A . 4 LEU HB3 1 1 16 6358 1 1 4 LEU HD11 H 15.292 2.129 0.807 1.00 . A A . 4 LEU HD11 1 1 16 6359 1 1 4 LEU HD12 H 15.859 0.474 1.004 1.00 . A A . 4 LEU HD12 1 1 16 6360 1 1 4 LEU HD13 H 14.955 1.255 2.300 1.00 . A A . 4 LEU HD13 1 1 16 6361 1 1 4 LEU HD21 H 14.117 1.497 -1.284 1.00 . A A . 4 LEU HD21 1 1 16 6362 1 1 4 LEU HD22 H 12.902 0.216 -1.269 1.00 . A A . 4 LEU HD22 1 1 16 6363 1 1 4 LEU HD23 H 14.618 -0.188 -1.126 1.00 . A A . 4 LEU HD23 1 1 16 6364 1 1 4 LEU HG H 12.999 1.376 0.866 1.00 . A A . 4 LEU HG 1 1 16 6365 1 1 4 LEU N N 12.657 -2.053 3.094 1.00 . A A . 4 LEU N 1 1 16 6366 1 1 4 LEU O O 10.621 -0.278 2.860 1.00 . A A . 4 LEU O 1 1 16 6367 1 1 5 ALA C C 10.123 2.677 2.500 1.00 . A A . 5 ALA C 1 1 16 6368 1 1 5 ALA CA C 11.001 2.388 3.694 1.00 . A A . 5 ALA CA 1 1 16 6369 1 1 5 ALA CB C 11.607 3.673 4.227 1.00 . A A . 5 ALA CB 1 1 16 6370 1 1 5 ALA H H 12.978 1.675 3.483 1.00 . A A . 5 ALA H 1 1 16 6371 1 1 5 ALA HA H 10.381 1.961 4.465 1.00 . A A . 5 ALA HA 1 1 16 6372 1 1 5 ALA HB1 H 12.206 4.130 3.453 1.00 . A A . 5 ALA HB1 1 1 16 6373 1 1 5 ALA HB2 H 12.225 3.445 5.083 1.00 . A A . 5 ALA HB2 1 1 16 6374 1 1 5 ALA HB3 H 10.816 4.347 4.521 1.00 . A A . 5 ALA HB3 1 1 16 6375 1 1 5 ALA N N 12.036 1.410 3.378 1.00 . A A . 5 ALA N 1 1 16 6376 1 1 5 ALA O O 8.943 2.897 2.635 1.00 . A A . 5 ALA O 1 1 16 6377 1 1 6 TYR C C 9.076 1.666 -0.211 1.00 . A A . 6 TYR C 1 1 16 6378 1 1 6 TYR CA C 9.953 2.861 0.119 1.00 . A A . 6 TYR CA 1 1 16 6379 1 1 6 TYR CB C 10.872 3.171 -1.048 1.00 . A A . 6 TYR CB 1 1 16 6380 1 1 6 TYR CD1 C 10.926 5.655 -1.442 1.00 . A A . 6 TYR CD1 1 1 16 6381 1 1 6 TYR CD2 C 12.831 4.650 -0.426 1.00 . A A . 6 TYR CD2 1 1 16 6382 1 1 6 TYR CE1 C 11.544 6.883 -1.388 1.00 . A A . 6 TYR CE1 1 1 16 6383 1 1 6 TYR CE2 C 13.454 5.884 -0.365 1.00 . A A . 6 TYR CE2 1 1 16 6384 1 1 6 TYR CG C 11.557 4.517 -0.964 1.00 . A A . 6 TYR CG 1 1 16 6385 1 1 6 TYR CZ C 12.805 6.995 -0.851 1.00 . A A . 6 TYR CZ 1 1 16 6386 1 1 6 TYR H H 11.667 2.476 1.325 1.00 . A A . 6 TYR H 1 1 16 6387 1 1 6 TYR HA H 9.319 3.715 0.296 1.00 . A A . 6 TYR HA 1 1 16 6388 1 1 6 TYR HB2 H 11.630 2.402 -1.087 1.00 . A A . 6 TYR HB2 1 1 16 6389 1 1 6 TYR HB3 H 10.294 3.140 -1.959 1.00 . A A . 6 TYR HB3 1 1 16 6390 1 1 6 TYR HD1 H 9.932 5.568 -1.861 1.00 . A A . 6 TYR HD1 1 1 16 6391 1 1 6 TYR HD2 H 13.335 3.772 -0.050 1.00 . A A . 6 TYR HD2 1 1 16 6392 1 1 6 TYR HE1 H 11.035 7.756 -1.763 1.00 . A A . 6 TYR HE1 1 1 16 6393 1 1 6 TYR HE2 H 14.443 5.972 0.057 1.00 . A A . 6 TYR HE2 1 1 16 6394 1 1 6 TYR HH H 12.755 8.882 -0.546 1.00 . A A . 6 TYR HH 1 1 16 6395 1 1 6 TYR N N 10.703 2.644 1.341 1.00 . A A . 6 TYR N 1 1 16 6396 1 1 6 TYR O O 8.019 1.813 -0.791 1.00 . A A . 6 TYR O 1 1 16 6397 1 1 6 TYR OH O 13.416 8.225 -0.799 1.00 . A A . 6 TYR OH 1 1 16 6398 1 1 7 ASN C C 7.619 -0.834 0.869 1.00 . A A . 7 ASN C 1 1 16 6399 1 1 7 ASN CA C 8.772 -0.714 -0.092 1.00 . A A . 7 ASN CA 1 1 16 6400 1 1 7 ASN CB C 9.676 -1.958 -0.008 1.00 . A A . 7 ASN CB 1 1 16 6401 1 1 7 ASN CG C 10.585 -2.158 -1.225 1.00 . A A . 7 ASN CG 1 1 16 6402 1 1 7 ASN H H 10.351 0.476 0.684 1.00 . A A . 7 ASN H 1 1 16 6403 1 1 7 ASN HA H 8.377 -0.636 -1.090 1.00 . A A . 7 ASN HA 1 1 16 6404 1 1 7 ASN HB2 H 10.313 -1.867 0.860 1.00 . A A . 7 ASN HB2 1 1 16 6405 1 1 7 ASN HB3 H 9.053 -2.835 0.104 1.00 . A A . 7 ASN HB3 1 1 16 6406 1 1 7 ASN HD21 H 9.116 -1.714 -2.467 1.00 . A A . 7 ASN HD21 1 1 16 6407 1 1 7 ASN HD22 H 10.606 -2.121 -3.213 1.00 . A A . 7 ASN HD22 1 1 16 6408 1 1 7 ASN N N 9.523 0.501 0.168 1.00 . A A . 7 ASN N 1 1 16 6409 1 1 7 ASN ND2 N 10.063 -1.972 -2.410 1.00 . A A . 7 ASN ND2 1 1 16 6410 1 1 7 ASN O O 6.464 -0.838 0.477 1.00 . A A . 7 ASN O 1 1 16 6411 1 1 7 ASN OD1 O 11.730 -2.565 -1.086 1.00 . A A . 7 ASN OD1 1 1 16 6412 1 1 8 MET C C 6.213 0.277 3.449 1.00 . A A . 8 MET C 1 1 16 6413 1 1 8 MET CA C 6.913 -1.035 3.141 1.00 . A A . 8 MET CA 1 1 16 6414 1 1 8 MET CB C 7.425 -1.742 4.410 1.00 . A A . 8 MET CB 1 1 16 6415 1 1 8 MET CE C 5.264 -4.038 4.075 1.00 . A A . 8 MET CE 1 1 16 6416 1 1 8 MET CG C 6.374 -1.898 5.524 1.00 . A A . 8 MET CG 1 1 16 6417 1 1 8 MET H H 8.887 -0.874 2.386 1.00 . A A . 8 MET H 1 1 16 6418 1 1 8 MET HA H 6.166 -1.673 2.688 1.00 . A A . 8 MET HA 1 1 16 6419 1 1 8 MET HB2 H 7.792 -2.721 4.144 1.00 . A A . 8 MET HB2 1 1 16 6420 1 1 8 MET HB3 H 8.251 -1.169 4.807 1.00 . A A . 8 MET HB3 1 1 16 6421 1 1 8 MET HE1 H 5.925 -3.777 3.259 1.00 . A A . 8 MET HE1 1 1 16 6422 1 1 8 MET HE2 H 4.385 -4.516 3.666 1.00 . A A . 8 MET HE2 1 1 16 6423 1 1 8 MET HE3 H 5.771 -4.705 4.754 1.00 . A A . 8 MET HE3 1 1 16 6424 1 1 8 MET HG2 H 6.763 -2.568 6.276 1.00 . A A . 8 MET HG2 1 1 16 6425 1 1 8 MET HG3 H 6.212 -0.924 5.961 1.00 . A A . 8 MET HG3 1 1 16 6426 1 1 8 MET N N 7.937 -0.910 2.136 1.00 . A A . 8 MET N 1 1 16 6427 1 1 8 MET O O 5.050 0.421 3.185 1.00 . A A . 8 MET O 1 1 16 6428 1 1 8 MET SD S 4.778 -2.551 4.949 1.00 . A A . 8 MET SD 1 1 16 6429 1 1 9 GLY C C 5.636 3.289 3.339 1.00 . A A . 9 GLY C 1 1 16 6430 1 1 9 GLY CA C 6.376 2.507 4.408 1.00 . A A . 9 GLY CA 1 1 16 6431 1 1 9 GLY H H 7.934 1.132 3.943 1.00 . A A . 9 GLY H 1 1 16 6432 1 1 9 GLY HA2 H 5.676 2.291 5.199 1.00 . A A . 9 GLY HA2 1 1 16 6433 1 1 9 GLY HA3 H 7.160 3.132 4.809 1.00 . A A . 9 GLY HA3 1 1 16 6434 1 1 9 GLY N N 6.964 1.249 3.932 1.00 . A A . 9 GLY N 1 1 16 6435 1 1 9 GLY O O 4.482 3.679 3.541 1.00 . A A . 9 GLY O 1 1 16 6436 1 1 10 HIS C C 4.435 3.605 0.587 1.00 . A A . 10 HIS C 1 1 16 6437 1 1 10 HIS CA C 5.711 4.268 1.114 1.00 . A A . 10 HIS CA 1 1 16 6438 1 1 10 HIS CB C 6.764 4.458 0.017 1.00 . A A . 10 HIS CB 1 1 16 6439 1 1 10 HIS CD2 C 6.534 5.272 -2.409 1.00 . A A . 10 HIS CD2 1 1 16 6440 1 1 10 HIS CE1 C 5.515 7.133 -2.034 1.00 . A A . 10 HIS CE1 1 1 16 6441 1 1 10 HIS CG C 6.365 5.376 -1.076 1.00 . A A . 10 HIS CG 1 1 16 6442 1 1 10 HIS H H 7.186 3.103 2.104 1.00 . A A . 10 HIS H 1 1 16 6443 1 1 10 HIS HA H 5.427 5.249 1.472 1.00 . A A . 10 HIS HA 1 1 16 6444 1 1 10 HIS HB2 H 7.653 4.876 0.464 1.00 . A A . 10 HIS HB2 1 1 16 6445 1 1 10 HIS HB3 H 7.001 3.495 -0.411 1.00 . A A . 10 HIS HB3 1 1 16 6446 1 1 10 HIS HD1 H 5.435 6.941 -0.002 1.00 . A A . 10 HIS HD1 1 1 16 6447 1 1 10 HIS HD2 H 7.008 4.451 -2.926 1.00 . A A . 10 HIS HD2 1 1 16 6448 1 1 10 HIS HE1 H 5.000 8.073 -2.131 1.00 . A A . 10 HIS HE1 1 1 16 6449 1 1 10 HIS N N 6.285 3.493 2.203 1.00 . A A . 10 HIS N 1 1 16 6450 1 1 10 HIS ND1 N 5.720 6.561 -0.864 1.00 . A A . 10 HIS ND1 1 1 16 6451 1 1 10 HIS NE2 N 5.993 6.397 -3.018 1.00 . A A . 10 HIS NE2 1 1 16 6452 1 1 10 HIS O O 3.416 4.272 0.392 1.00 . A A . 10 HIS O 1 1 16 6453 1 1 11 TYR C C 2.253 1.432 1.026 1.00 . A A . 11 TYR C 1 1 16 6454 1 1 11 TYR CA C 3.312 1.561 -0.029 1.00 . A A . 11 TYR CA 1 1 16 6455 1 1 11 TYR CB C 3.654 0.204 -0.588 1.00 . A A . 11 TYR CB 1 1 16 6456 1 1 11 TYR CD1 C 3.229 0.264 -3.037 1.00 . A A . 11 TYR CD1 1 1 16 6457 1 1 11 TYR CD2 C 5.479 0.329 -2.296 1.00 . A A . 11 TYR CD2 1 1 16 6458 1 1 11 TYR CE1 C 3.638 0.338 -4.339 1.00 . A A . 11 TYR CE1 1 1 16 6459 1 1 11 TYR CE2 C 5.910 0.398 -3.605 1.00 . A A . 11 TYR CE2 1 1 16 6460 1 1 11 TYR CG C 4.137 0.259 -1.999 1.00 . A A . 11 TYR CG 1 1 16 6461 1 1 11 TYR CZ C 4.982 0.406 -4.625 1.00 . A A . 11 TYR CZ 1 1 16 6462 1 1 11 TYR H H 5.304 1.802 0.611 1.00 . A A . 11 TYR H 1 1 16 6463 1 1 11 TYR HA H 2.897 2.151 -0.832 1.00 . A A . 11 TYR HA 1 1 16 6464 1 1 11 TYR HB2 H 4.433 -0.222 0.027 1.00 . A A . 11 TYR HB2 1 1 16 6465 1 1 11 TYR HB3 H 2.776 -0.425 -0.544 1.00 . A A . 11 TYR HB3 1 1 16 6466 1 1 11 TYR HD1 H 2.174 0.208 -2.804 1.00 . A A . 11 TYR HD1 1 1 16 6467 1 1 11 TYR HD2 H 6.179 0.320 -1.472 1.00 . A A . 11 TYR HD2 1 1 16 6468 1 1 11 TYR HE1 H 2.892 0.338 -5.119 1.00 . A A . 11 TYR HE1 1 1 16 6469 1 1 11 TYR HE2 H 6.964 0.448 -3.826 1.00 . A A . 11 TYR HE2 1 1 16 6470 1 1 11 TYR HH H 4.864 1.198 -6.332 1.00 . A A . 11 TYR HH 1 1 16 6471 1 1 11 TYR N N 4.477 2.294 0.422 1.00 . A A . 11 TYR N 1 1 16 6472 1 1 11 TYR O O 1.089 1.471 0.707 1.00 . A A . 11 TYR O 1 1 16 6473 1 1 11 TYR OH O 5.397 0.498 -5.931 1.00 . A A . 11 TYR OH 1 1 16 6474 1 1 12 ALA C C 0.755 2.343 3.421 1.00 . A A . 12 ALA C 1 1 16 6475 1 1 12 ALA CA C 1.706 1.167 3.387 1.00 . A A . 12 ALA CA 1 1 16 6476 1 1 12 ALA CB C 2.426 1.024 4.719 1.00 . A A . 12 ALA CB 1 1 16 6477 1 1 12 ALA H H 3.616 1.257 2.477 1.00 . A A . 12 ALA H 1 1 16 6478 1 1 12 ALA HA H 1.124 0.274 3.213 1.00 . A A . 12 ALA HA 1 1 16 6479 1 1 12 ALA HB1 H 3.073 0.159 4.684 1.00 . A A . 12 ALA HB1 1 1 16 6480 1 1 12 ALA HB2 H 1.704 0.909 5.515 1.00 . A A . 12 ALA HB2 1 1 16 6481 1 1 12 ALA HB3 H 3.021 1.909 4.894 1.00 . A A . 12 ALA HB3 1 1 16 6482 1 1 12 ALA N N 2.652 1.297 2.281 1.00 . A A . 12 ALA N 1 1 16 6483 1 1 12 ALA O O -0.425 2.178 3.676 1.00 . A A . 12 ALA O 1 1 16 6484 1 1 13 GLY C C -0.581 4.612 1.926 1.00 . A A . 13 GLY C 1 1 16 6485 1 1 13 GLY CA C 0.437 4.693 3.056 1.00 . A A . 13 GLY CA 1 1 16 6486 1 1 13 GLY H H 2.228 3.562 2.913 1.00 . A A . 13 GLY H 1 1 16 6487 1 1 13 GLY HA2 H -0.087 4.801 3.993 1.00 . A A . 13 GLY HA2 1 1 16 6488 1 1 13 GLY HA3 H 1.067 5.555 2.891 1.00 . A A . 13 GLY HA3 1 1 16 6489 1 1 13 GLY N N 1.267 3.517 3.111 1.00 . A A . 13 GLY N 1 1 16 6490 1 1 13 GLY O O -1.779 4.835 2.133 1.00 . A A . 13 GLY O 1 1 16 6491 1 1 14 LYS C C -1.927 2.985 -0.401 1.00 . A A . 14 LYS C 1 1 16 6492 1 1 14 LYS CA C -0.968 4.167 -0.426 1.00 . A A . 14 LYS CA 1 1 16 6493 1 1 14 LYS CB C -0.148 4.208 -1.726 1.00 . A A . 14 LYS CB 1 1 16 6494 1 1 14 LYS CD C 1.149 6.324 -1.114 1.00 . A A . 14 LYS CD 1 1 16 6495 1 1 14 LYS CE C 1.552 7.708 -1.587 1.00 . A A . 14 LYS CE 1 1 16 6496 1 1 14 LYS CG C 0.301 5.615 -2.160 1.00 . A A . 14 LYS CG 1 1 16 6497 1 1 14 LYS H H 0.823 3.945 0.687 1.00 . A A . 14 LYS H 1 1 16 6498 1 1 14 LYS HA H -1.570 5.062 -0.387 1.00 . A A . 14 LYS HA 1 1 16 6499 1 1 14 LYS HB2 H 0.735 3.601 -1.594 1.00 . A A . 14 LYS HB2 1 1 16 6500 1 1 14 LYS HB3 H -0.749 3.782 -2.516 1.00 . A A . 14 LYS HB3 1 1 16 6501 1 1 14 LYS HD2 H 0.573 6.410 -0.205 1.00 . A A . 14 LYS HD2 1 1 16 6502 1 1 14 LYS HD3 H 2.034 5.734 -0.925 1.00 . A A . 14 LYS HD3 1 1 16 6503 1 1 14 LYS HE2 H 2.221 7.605 -2.428 1.00 . A A . 14 LYS HE2 1 1 16 6504 1 1 14 LYS HE3 H 0.665 8.243 -1.892 1.00 . A A . 14 LYS HE3 1 1 16 6505 1 1 14 LYS HG2 H 0.870 5.545 -3.074 1.00 . A A . 14 LYS HG2 1 1 16 6506 1 1 14 LYS HG3 H -0.586 6.201 -2.351 1.00 . A A . 14 LYS HG3 1 1 16 6507 1 1 14 LYS HZ1 H 1.629 8.640 0.281 1.00 . A A . 14 LYS HZ1 1 1 16 6508 1 1 14 LYS HZ2 H 2.482 9.430 -0.913 1.00 . A A . 14 LYS HZ2 1 1 16 6509 1 1 14 LYS HZ3 H 3.126 8.052 -0.225 1.00 . A A . 14 LYS HZ3 1 1 16 6510 1 1 14 LYS N N -0.117 4.221 0.757 1.00 . A A . 14 LYS N 1 1 16 6511 1 1 14 LYS NZ N 2.240 8.487 -0.546 1.00 . A A . 14 LYS NZ 1 1 16 6512 1 1 14 LYS O O -3.092 3.113 -0.774 1.00 . A A . 14 LYS O 1 1 16 6513 1 1 15 ALA C C -3.369 0.833 1.199 1.00 . A A . 15 ALA C 1 1 16 6514 1 1 15 ALA CA C -2.267 0.662 0.177 1.00 . A A . 15 ALA CA 1 1 16 6515 1 1 15 ALA CB C -1.409 -0.555 0.495 1.00 . A A . 15 ALA CB 1 1 16 6516 1 1 15 ALA H H -0.514 1.819 0.359 1.00 . A A . 15 ALA H 1 1 16 6517 1 1 15 ALA HA H -2.732 0.506 -0.784 1.00 . A A . 15 ALA HA 1 1 16 6518 1 1 15 ALA HB1 H -2.037 -1.435 0.515 1.00 . A A . 15 ALA HB1 1 1 16 6519 1 1 15 ALA HB2 H -0.930 -0.419 1.453 1.00 . A A . 15 ALA HB2 1 1 16 6520 1 1 15 ALA HB3 H -0.653 -0.669 -0.269 1.00 . A A . 15 ALA HB3 1 1 16 6521 1 1 15 ALA N N -1.457 1.861 0.081 1.00 . A A . 15 ALA N 1 1 16 6522 1 1 15 ALA O O -4.440 0.292 1.048 1.00 . A A . 15 ALA O 1 1 16 6523 1 1 16 THR C C -5.175 2.823 2.697 1.00 . A A . 16 THR C 1 1 16 6524 1 1 16 THR CA C -4.107 1.866 3.214 1.00 . A A . 16 THR CA 1 1 16 6525 1 1 16 THR CB C -3.485 2.377 4.520 1.00 . A A . 16 THR CB 1 1 16 6526 1 1 16 THR CG2 C -4.543 2.555 5.590 1.00 . A A . 16 THR CG2 1 1 16 6527 1 1 16 THR H H -2.233 2.021 2.301 1.00 . A A . 16 THR H 1 1 16 6528 1 1 16 THR HA H -4.598 0.927 3.416 1.00 . A A . 16 THR HA 1 1 16 6529 1 1 16 THR HB H -3.001 3.325 4.329 1.00 . A A . 16 THR HB 1 1 16 6530 1 1 16 THR HG1 H -1.703 1.544 4.508 1.00 . A A . 16 THR HG1 1 1 16 6531 1 1 16 THR HG21 H -4.085 2.941 6.487 1.00 . A A . 16 THR HG21 1 1 16 6532 1 1 16 THR HG22 H -4.972 1.586 5.796 1.00 . A A . 16 THR HG22 1 1 16 6533 1 1 16 THR HG23 H -5.314 3.228 5.242 1.00 . A A . 16 THR HG23 1 1 16 6534 1 1 16 THR N N -3.115 1.613 2.217 1.00 . A A . 16 THR N 1 1 16 6535 1 1 16 THR O O -6.358 2.643 2.967 1.00 . A A . 16 THR O 1 1 16 6536 1 1 16 THR OG1 O -2.535 1.411 4.984 1.00 . A A . 16 THR OG1 1 1 16 6537 1 1 17 ILE C C -6.522 4.083 0.229 1.00 . A A . 17 ILE C 1 1 16 6538 1 1 17 ILE CA C -5.779 4.710 1.422 1.00 . A A . 17 ILE CA 1 1 16 6539 1 1 17 ILE CB C -5.238 6.148 1.109 1.00 . A A . 17 ILE CB 1 1 16 6540 1 1 17 ILE CD1 C -7.455 7.317 1.646 1.00 . A A . 17 ILE CD1 1 1 16 6541 1 1 17 ILE CG1 C -6.355 7.079 0.624 1.00 . A A . 17 ILE CG1 1 1 16 6542 1 1 17 ILE CG2 C -4.087 6.138 0.130 1.00 . A A . 17 ILE CG2 1 1 16 6543 1 1 17 ILE H H -3.834 3.952 1.740 1.00 . A A . 17 ILE H 1 1 16 6544 1 1 17 ILE HA H -6.510 4.786 2.212 1.00 . A A . 17 ILE HA 1 1 16 6545 1 1 17 ILE HB H -4.859 6.540 2.041 1.00 . A A . 17 ILE HB 1 1 16 6546 1 1 17 ILE HD11 H -7.938 6.383 1.890 1.00 . A A . 17 ILE HD11 1 1 16 6547 1 1 17 ILE HD12 H -8.191 7.997 1.245 1.00 . A A . 17 ILE HD12 1 1 16 6548 1 1 17 ILE HD13 H -7.014 7.733 2.541 1.00 . A A . 17 ILE HD13 1 1 16 6549 1 1 17 ILE HG12 H -5.914 8.034 0.380 1.00 . A A . 17 ILE HG12 1 1 16 6550 1 1 17 ILE HG13 H -6.801 6.663 -0.267 1.00 . A A . 17 ILE HG13 1 1 16 6551 1 1 17 ILE HG21 H -4.398 5.665 -0.789 1.00 . A A . 17 ILE HG21 1 1 16 6552 1 1 17 ILE HG22 H -3.266 5.588 0.565 1.00 . A A . 17 ILE HG22 1 1 16 6553 1 1 17 ILE HG23 H -3.773 7.150 -0.073 1.00 . A A . 17 ILE HG23 1 1 16 6554 1 1 17 ILE N N -4.783 3.818 1.945 1.00 . A A . 17 ILE N 1 1 16 6555 1 1 17 ILE O O -7.733 4.006 0.243 1.00 . A A . 17 ILE O 1 1 16 6556 1 1 18 PHE C C -6.880 1.641 -1.789 1.00 . A A . 18 PHE C 1 1 16 6557 1 1 18 PHE CA C -6.402 3.074 -1.969 1.00 . A A . 18 PHE CA 1 1 16 6558 1 1 18 PHE CB C -5.469 3.178 -3.156 1.00 . A A . 18 PHE CB 1 1 16 6559 1 1 18 PHE CD1 C -3.716 4.923 -3.531 1.00 . A A . 18 PHE CD1 1 1 16 6560 1 1 18 PHE CD2 C -5.999 5.549 -3.638 1.00 . A A . 18 PHE CD2 1 1 16 6561 1 1 18 PHE CE1 C -3.341 6.221 -3.799 1.00 . A A . 18 PHE CE1 1 1 16 6562 1 1 18 PHE CE2 C -5.639 6.849 -3.904 1.00 . A A . 18 PHE CE2 1 1 16 6563 1 1 18 PHE CG C -5.048 4.578 -3.450 1.00 . A A . 18 PHE CG 1 1 16 6564 1 1 18 PHE CZ C -4.307 7.189 -3.988 1.00 . A A . 18 PHE CZ 1 1 16 6565 1 1 18 PHE H H -4.815 3.666 -0.715 1.00 . A A . 18 PHE H 1 1 16 6566 1 1 18 PHE HA H -7.276 3.674 -2.183 1.00 . A A . 18 PHE HA 1 1 16 6567 1 1 18 PHE HB2 H -4.595 2.567 -2.981 1.00 . A A . 18 PHE HB2 1 1 16 6568 1 1 18 PHE HB3 H -6.005 2.805 -4.015 1.00 . A A . 18 PHE HB3 1 1 16 6569 1 1 18 PHE HD1 H -2.964 4.163 -3.380 1.00 . A A . 18 PHE HD1 1 1 16 6570 1 1 18 PHE HD2 H -7.036 5.256 -3.562 1.00 . A A . 18 PHE HD2 1 1 16 6571 1 1 18 PHE HE1 H -2.295 6.480 -3.859 1.00 . A A . 18 PHE HE1 1 1 16 6572 1 1 18 PHE HE2 H -6.402 7.596 -4.049 1.00 . A A . 18 PHE HE2 1 1 16 6573 1 1 18 PHE HZ H -4.017 8.208 -4.199 1.00 . A A . 18 PHE HZ 1 1 16 6574 1 1 18 PHE N N -5.799 3.638 -0.774 1.00 . A A . 18 PHE N 1 1 16 6575 1 1 18 PHE O O -8.072 1.355 -1.908 1.00 . A A . 18 PHE O 1 1 16 6576 1 1 19 GLY C C -7.242 -0.975 -0.337 1.00 . A A . 19 GLY C 1 1 16 6577 1 1 19 GLY CA C -6.219 -0.673 -1.390 1.00 . A A . 19 GLY CA 1 1 16 6578 1 1 19 GLY H H -5.020 1.073 -1.369 1.00 . A A . 19 GLY H 1 1 16 6579 1 1 19 GLY HA2 H -6.590 -1.037 -2.338 1.00 . A A . 19 GLY HA2 1 1 16 6580 1 1 19 GLY HA3 H -5.302 -1.188 -1.146 1.00 . A A . 19 GLY HA3 1 1 16 6581 1 1 19 GLY N N -5.936 0.755 -1.507 1.00 . A A . 19 GLY N 1 1 16 6582 1 1 19 GLY O O -8.236 -1.656 -0.595 1.00 . A A . 19 GLY O 1 1 16 6583 1 1 20 LEU C C -9.320 0.009 1.616 1.00 . A A . 20 LEU C 1 1 16 6584 1 1 20 LEU CA C -7.980 -0.615 1.914 1.00 . A A . 20 LEU CA 1 1 16 6585 1 1 20 LEU CB C -7.477 -0.172 3.259 1.00 . A A . 20 LEU CB 1 1 16 6586 1 1 20 LEU CD1 C -5.510 -1.727 3.602 1.00 . A A . 20 LEU CD1 1 1 16 6587 1 1 20 LEU CD2 C -6.794 -0.833 5.560 1.00 . A A . 20 LEU CD2 1 1 16 6588 1 1 20 LEU CG C -6.862 -1.260 4.117 1.00 . A A . 20 LEU CG 1 1 16 6589 1 1 20 LEU H H -6.163 0.006 0.993 1.00 . A A . 20 LEU H 1 1 16 6590 1 1 20 LEU HA H -8.162 -1.677 1.964 1.00 . A A . 20 LEU HA 1 1 16 6591 1 1 20 LEU HB2 H -6.743 0.609 3.111 1.00 . A A . 20 LEU HB2 1 1 16 6592 1 1 20 LEU HB3 H -8.340 0.235 3.762 1.00 . A A . 20 LEU HB3 1 1 16 6593 1 1 20 LEU HD11 H -4.784 -0.934 3.706 1.00 . A A . 20 LEU HD11 1 1 16 6594 1 1 20 LEU HD12 H -5.593 -1.998 2.559 1.00 . A A . 20 LEU HD12 1 1 16 6595 1 1 20 LEU HD13 H -5.188 -2.585 4.172 1.00 . A A . 20 LEU HD13 1 1 16 6596 1 1 20 LEU HD21 H -6.217 0.076 5.625 1.00 . A A . 20 LEU HD21 1 1 16 6597 1 1 20 LEU HD22 H -6.333 -1.612 6.151 1.00 . A A . 20 LEU HD22 1 1 16 6598 1 1 20 LEU HD23 H -7.799 -0.647 5.907 1.00 . A A . 20 LEU HD23 1 1 16 6599 1 1 20 LEU HG H -7.553 -2.087 4.050 1.00 . A A . 20 LEU HG 1 1 16 6600 1 1 20 LEU N N -7.023 -0.454 0.847 1.00 . A A . 20 LEU N 1 1 16 6601 1 1 20 LEU O O -10.314 -0.457 2.094 1.00 . A A . 20 LEU O 1 1 16 6602 1 1 21 ALA C C -11.410 0.628 -0.418 1.00 . A A . 21 ALA C 1 1 16 6603 1 1 21 ALA CA C -10.652 1.627 0.447 1.00 . A A . 21 ALA CA 1 1 16 6604 1 1 21 ALA CB C -10.499 2.931 -0.296 1.00 . A A . 21 ALA CB 1 1 16 6605 1 1 21 ALA H H -8.496 1.456 0.581 1.00 . A A . 21 ALA H 1 1 16 6606 1 1 21 ALA HA H -11.230 1.793 1.345 1.00 . A A . 21 ALA HA 1 1 16 6607 1 1 21 ALA HB1 H -11.488 3.295 -0.535 1.00 . A A . 21 ALA HB1 1 1 16 6608 1 1 21 ALA HB2 H -9.925 2.770 -1.199 1.00 . A A . 21 ALA HB2 1 1 16 6609 1 1 21 ALA HB3 H -9.992 3.649 0.330 1.00 . A A . 21 ALA HB3 1 1 16 6610 1 1 21 ALA N N -9.354 1.062 0.851 1.00 . A A . 21 ALA N 1 1 16 6611 1 1 21 ALA O O -12.615 0.491 -0.311 1.00 . A A . 21 ALA O 1 1 16 6612 1 1 22 ALA C C -11.707 -2.314 -1.323 1.00 . A A . 22 ALA C 1 1 16 6613 1 1 22 ALA CA C -11.276 -1.088 -2.106 1.00 . A A . 22 ALA CA 1 1 16 6614 1 1 22 ALA CB C -10.312 -1.469 -3.219 1.00 . A A . 22 ALA CB 1 1 16 6615 1 1 22 ALA H H -9.705 0.012 -1.198 1.00 . A A . 22 ALA H 1 1 16 6616 1 1 22 ALA HA H -12.158 -0.646 -2.549 1.00 . A A . 22 ALA HA 1 1 16 6617 1 1 22 ALA HB1 H -10.026 -0.587 -3.772 1.00 . A A . 22 ALA HB1 1 1 16 6618 1 1 22 ALA HB2 H -10.790 -2.172 -3.884 1.00 . A A . 22 ALA HB2 1 1 16 6619 1 1 22 ALA HB3 H -9.432 -1.921 -2.787 1.00 . A A . 22 ALA HB3 1 1 16 6620 1 1 22 ALA N N -10.682 -0.101 -1.221 1.00 . A A . 22 ALA N 1 1 16 6621 1 1 22 ALA O O -12.672 -2.971 -1.656 1.00 . A A . 22 ALA O 1 1 16 6622 1 1 23 TRP C C -12.204 -3.512 1.649 1.00 . A A . 23 TRP C 1 1 16 6623 1 1 23 TRP CA C -11.246 -3.773 0.506 1.00 . A A . 23 TRP CA 1 1 16 6624 1 1 23 TRP CB C -9.939 -4.366 0.989 1.00 . A A . 23 TRP CB 1 1 16 6625 1 1 23 TRP CD1 C -9.376 -6.835 1.157 1.00 . A A . 23 TRP CD1 1 1 16 6626 1 1 23 TRP CD2 C -9.845 -6.154 -0.913 1.00 . A A . 23 TRP CD2 1 1 16 6627 1 1 23 TRP CE2 C -9.558 -7.525 -0.960 1.00 . A A . 23 TRP CE2 1 1 16 6628 1 1 23 TRP CE3 C -10.182 -5.495 -2.097 1.00 . A A . 23 TRP CE3 1 1 16 6629 1 1 23 TRP CG C -9.706 -5.733 0.450 1.00 . A A . 23 TRP CG 1 1 16 6630 1 1 23 TRP CH2 C -9.938 -7.574 -3.288 1.00 . A A . 23 TRP CH2 1 1 16 6631 1 1 23 TRP CZ2 C -9.595 -8.251 -2.149 1.00 . A A . 23 TRP CZ2 1 1 16 6632 1 1 23 TRP CZ3 C -10.225 -6.205 -3.266 1.00 . A A . 23 TRP CZ3 1 1 16 6633 1 1 23 TRP H H -10.212 -2.033 -0.088 1.00 . A A . 23 TRP H 1 1 16 6634 1 1 23 TRP HA H -11.710 -4.499 -0.143 1.00 . A A . 23 TRP HA 1 1 16 6635 1 1 23 TRP HB2 H -9.131 -3.725 0.668 1.00 . A A . 23 TRP HB2 1 1 16 6636 1 1 23 TRP HB3 H -9.949 -4.414 2.067 1.00 . A A . 23 TRP HB3 1 1 16 6637 1 1 23 TRP HD1 H -9.220 -6.811 2.225 1.00 . A A . 23 TRP HD1 1 1 16 6638 1 1 23 TRP HE1 H -9.016 -8.831 0.596 1.00 . A A . 23 TRP HE1 1 1 16 6639 1 1 23 TRP HE3 H -10.405 -4.439 -2.094 1.00 . A A . 23 TRP HE3 1 1 16 6640 1 1 23 TRP HH2 H -9.990 -8.087 -4.235 1.00 . A A . 23 TRP HH2 1 1 16 6641 1 1 23 TRP HZ2 H -9.378 -9.308 -2.185 1.00 . A A . 23 TRP HZ2 1 1 16 6642 1 1 23 TRP HZ3 H -10.497 -5.693 -4.178 1.00 . A A . 23 TRP HZ3 1 1 16 6643 1 1 23 TRP N N -10.978 -2.611 -0.295 1.00 . A A . 23 TRP N 1 1 16 6644 1 1 23 TRP NE1 N -9.263 -7.920 0.318 1.00 . A A . 23 TRP NE1 1 1 16 6645 1 1 23 TRP O O -13.135 -4.240 1.841 1.00 . A A . 23 TRP O 1 1 16 6646 1 1 24 ALA C C -14.095 -1.530 3.107 1.00 . A A . 24 ALA C 1 1 16 6647 1 1 24 ALA CA C -12.787 -2.183 3.540 1.00 . A A . 24 ALA CA 1 1 16 6648 1 1 24 ALA CB C -12.050 -1.272 4.501 1.00 . A A . 24 ALA CB 1 1 16 6649 1 1 24 ALA H H -11.189 -1.911 2.202 1.00 . A A . 24 ALA H 1 1 16 6650 1 1 24 ALA HA H -12.970 -3.123 4.040 1.00 . A A . 24 ALA HA 1 1 16 6651 1 1 24 ALA HB1 H -11.794 -0.358 3.982 1.00 . A A . 24 ALA HB1 1 1 16 6652 1 1 24 ALA HB2 H -11.149 -1.757 4.843 1.00 . A A . 24 ALA HB2 1 1 16 6653 1 1 24 ALA HB3 H -12.684 -1.037 5.343 1.00 . A A . 24 ALA HB3 1 1 16 6654 1 1 24 ALA N N -11.952 -2.496 2.408 1.00 . A A . 24 ALA N 1 1 16 6655 1 1 24 ALA O O -15.169 -1.921 3.528 1.00 . A A . 24 ALA O 1 1 16 6656 1 1 25 LEU C C -15.901 -0.276 0.709 1.00 . A A . 25 LEU C 1 1 16 6657 1 1 25 LEU CA C -15.115 0.310 1.890 1.00 . A A . 25 LEU CA 1 1 16 6658 1 1 25 LEU CB C -14.683 1.751 1.585 1.00 . A A . 25 LEU CB 1 1 16 6659 1 1 25 LEU CD1 C -13.677 3.937 2.291 1.00 . A A . 25 LEU CD1 1 1 16 6660 1 1 25 LEU CD2 C -15.116 2.684 3.887 1.00 . A A . 25 LEU CD2 1 1 16 6661 1 1 25 LEU CG C -14.107 2.563 2.758 1.00 . A A . 25 LEU CG 1 1 16 6662 1 1 25 LEU H H -13.078 -0.252 1.982 1.00 . A A . 25 LEU H 1 1 16 6663 1 1 25 LEU HA H -15.794 0.348 2.727 1.00 . A A . 25 LEU HA 1 1 16 6664 1 1 25 LEU HB2 H -13.927 1.715 0.812 1.00 . A A . 25 LEU HB2 1 1 16 6665 1 1 25 LEU HB3 H -15.547 2.264 1.194 1.00 . A A . 25 LEU HB3 1 1 16 6666 1 1 25 LEU HD11 H -12.917 3.836 1.531 1.00 . A A . 25 LEU HD11 1 1 16 6667 1 1 25 LEU HD12 H -13.278 4.493 3.126 1.00 . A A . 25 LEU HD12 1 1 16 6668 1 1 25 LEU HD13 H -14.530 4.461 1.883 1.00 . A A . 25 LEU HD13 1 1 16 6669 1 1 25 LEU HD21 H -15.381 1.700 4.243 1.00 . A A . 25 LEU HD21 1 1 16 6670 1 1 25 LEU HD22 H -16.003 3.188 3.531 1.00 . A A . 25 LEU HD22 1 1 16 6671 1 1 25 LEU HD23 H -14.683 3.255 4.696 1.00 . A A . 25 LEU HD23 1 1 16 6672 1 1 25 LEU HG H -13.231 2.055 3.133 1.00 . A A . 25 LEU HG 1 1 16 6673 1 1 25 LEU N N -13.971 -0.487 2.312 1.00 . A A . 25 LEU N 1 1 16 6674 1 1 25 LEU O O -17.113 -0.117 0.636 1.00 . A A . 25 LEU O 1 1 16 6675 1 1 26 LEU C C -16.245 -2.835 -1.415 1.00 . A A . 26 LEU C 1 1 16 6676 1 1 26 LEU CA C -15.837 -1.365 -1.445 1.00 . A A . 26 LEU CA 1 1 16 6677 1 1 26 LEU CB C -14.881 -1.085 -2.608 1.00 . A A . 26 LEU CB 1 1 16 6678 1 1 26 LEU CD1 C -16.465 -0.593 -4.492 1.00 . A A . 26 LEU CD1 1 1 16 6679 1 1 26 LEU CD2 C -14.153 -1.480 -4.963 1.00 . A A . 26 LEU CD2 1 1 16 6680 1 1 26 LEU CG C -15.330 -1.483 -4.000 1.00 . A A . 26 LEU CG 1 1 16 6681 1 1 26 LEU H H -14.258 -1.087 -0.085 1.00 . A A . 26 LEU H 1 1 16 6682 1 1 26 LEU HA H -16.732 -0.794 -1.603 1.00 . A A . 26 LEU HA 1 1 16 6683 1 1 26 LEU HB2 H -14.653 -0.031 -2.616 1.00 . A A . 26 LEU HB2 1 1 16 6684 1 1 26 LEU HB3 H -13.967 -1.619 -2.395 1.00 . A A . 26 LEU HB3 1 1 16 6685 1 1 26 LEU HD11 H -16.133 0.433 -4.536 1.00 . A A . 26 LEU HD11 1 1 16 6686 1 1 26 LEU HD12 H -17.298 -0.669 -3.811 1.00 . A A . 26 LEU HD12 1 1 16 6687 1 1 26 LEU HD13 H -16.772 -0.915 -5.476 1.00 . A A . 26 LEU HD13 1 1 16 6688 1 1 26 LEU HD21 H -14.488 -1.744 -5.954 1.00 . A A . 26 LEU HD21 1 1 16 6689 1 1 26 LEU HD22 H -13.418 -2.205 -4.641 1.00 . A A . 26 LEU HD22 1 1 16 6690 1 1 26 LEU HD23 H -13.707 -0.498 -4.982 1.00 . A A . 26 LEU HD23 1 1 16 6691 1 1 26 LEU HG H -15.692 -2.495 -3.915 1.00 . A A . 26 LEU HG 1 1 16 6692 1 1 26 LEU N N -15.214 -0.914 -0.208 1.00 . A A . 26 LEU N 1 1 16 6693 1 1 26 LEU O O -17.130 -3.252 -2.156 1.00 . A A . 26 LEU O 1 1 16 6694 1 1 27 ALA C C -16.813 -5.401 0.624 1.00 . A A . 27 ALA C 1 1 16 6695 1 1 27 ALA CA C -15.882 -5.023 -0.527 1.00 . A A . 27 ALA CA 1 1 16 6696 1 1 27 ALA CB C -14.568 -5.810 -0.493 1.00 . A A . 27 ALA CB 1 1 16 6697 1 1 27 ALA H H -15.036 -3.134 0.054 1.00 . A A . 27 ALA H 1 1 16 6698 1 1 27 ALA HA H -16.400 -5.273 -1.442 1.00 . A A . 27 ALA HA 1 1 16 6699 1 1 27 ALA HB1 H -14.763 -6.873 -0.541 1.00 . A A . 27 ALA HB1 1 1 16 6700 1 1 27 ALA HB2 H -14.032 -5.583 0.416 1.00 . A A . 27 ALA HB2 1 1 16 6701 1 1 27 ALA HB3 H -13.955 -5.527 -1.339 1.00 . A A . 27 ALA HB3 1 1 16 6702 1 1 27 ALA N N -15.636 -3.583 -0.575 1.00 . A A . 27 ALA N 1 1 16 6703 1 1 27 ALA O O -16.372 -5.388 1.781 1.00 . A A . 27 ALA O 1 1 16 6704 1 1 27 ALA OXT O -17.989 -5.724 0.358 1.00 . A A . 27 ALA OXT 1 1 17 6705 1 1 1 ARG C C 14.109 -8.120 -1.837 1.00 . A A . 1 ARG C 1 1 17 6706 1 1 1 ARG CA C 13.980 -9.571 -2.185 1.00 . A A . 1 ARG CA 1 1 17 6707 1 1 1 ARG CB C 12.907 -10.209 -1.285 1.00 . A A . 1 ARG CB 1 1 17 6708 1 1 1 ARG CD C 12.044 -11.849 -2.967 1.00 . A A . 1 ARG CD 1 1 17 6709 1 1 1 ARG CG C 12.615 -11.668 -1.576 1.00 . A A . 1 ARG CG 1 1 17 6710 1 1 1 ARG CZ C 11.658 -13.731 -4.518 1.00 . A A . 1 ARG CZ 1 1 17 6711 1 1 1 ARG H1 H 15.584 -10.099 -1.019 1.00 . A A . 1 ARG H1 1 1 17 6712 1 1 1 ARG H2 H 15.986 -9.714 -2.573 1.00 . A A . 1 ARG H2 1 1 17 6713 1 1 1 ARG H3 H 15.273 -11.219 -2.247 1.00 . A A . 1 ARG H3 1 1 17 6714 1 1 1 ARG HA H 13.686 -9.666 -3.220 1.00 . A A . 1 ARG HA 1 1 17 6715 1 1 1 ARG HB2 H 13.217 -10.131 -0.254 1.00 . A A . 1 ARG HB2 1 1 17 6716 1 1 1 ARG HB3 H 11.993 -9.650 -1.418 1.00 . A A . 1 ARG HB3 1 1 17 6717 1 1 1 ARG HD2 H 11.087 -11.352 -3.023 1.00 . A A . 1 ARG HD2 1 1 17 6718 1 1 1 ARG HD3 H 12.713 -11.409 -3.692 1.00 . A A . 1 ARG HD3 1 1 17 6719 1 1 1 ARG HE H 11.946 -13.861 -2.522 1.00 . A A . 1 ARG HE 1 1 17 6720 1 1 1 ARG HG2 H 13.525 -12.240 -1.487 1.00 . A A . 1 ARG HG2 1 1 17 6721 1 1 1 ARG HG3 H 11.899 -12.030 -0.854 1.00 . A A . 1 ARG HG3 1 1 17 6722 1 1 1 ARG HH11 H 11.435 -11.908 -5.415 1.00 . A A . 1 ARG HH11 1 1 17 6723 1 1 1 ARG HH12 H 11.252 -13.239 -6.462 1.00 . A A . 1 ARG HH12 1 1 17 6724 1 1 1 ARG HH21 H 11.730 -15.701 -3.974 1.00 . A A . 1 ARG HH21 1 1 17 6725 1 1 1 ARG HH22 H 11.518 -15.426 -5.634 1.00 . A A . 1 ARG HH22 1 1 17 6726 1 1 1 ARG N N 15.271 -10.212 -2.005 1.00 . A A . 1 ARG N 1 1 17 6727 1 1 1 ARG NE N 11.865 -13.255 -3.296 1.00 . A A . 1 ARG NE 1 1 17 6728 1 1 1 ARG NH1 N 11.443 -12.905 -5.534 1.00 . A A . 1 ARG NH1 1 1 17 6729 1 1 1 ARG NH2 N 11.619 -15.032 -4.716 1.00 . A A . 1 ARG NH2 1 1 17 6730 1 1 1 ARG O O 14.963 -7.747 -1.032 1.00 . A A . 1 ARG O 1 1 17 6731 1 1 2 ASN C C 12.635 -5.659 -0.797 1.00 . A A . 2 ASN C 1 1 17 6732 1 1 2 ASN CA C 13.290 -5.879 -2.140 1.00 . A A . 2 ASN CA 1 1 17 6733 1 1 2 ASN CB C 12.583 -5.077 -3.237 1.00 . A A . 2 ASN CB 1 1 17 6734 1 1 2 ASN CG C 12.530 -3.578 -2.957 1.00 . A A . 2 ASN CG 1 1 17 6735 1 1 2 ASN H H 12.656 -7.625 -3.114 1.00 . A A . 2 ASN H 1 1 17 6736 1 1 2 ASN HA H 14.319 -5.559 -2.071 1.00 . A A . 2 ASN HA 1 1 17 6737 1 1 2 ASN HB2 H 13.119 -5.226 -4.163 1.00 . A A . 2 ASN HB2 1 1 17 6738 1 1 2 ASN HB3 H 11.575 -5.449 -3.352 1.00 . A A . 2 ASN HB3 1 1 17 6739 1 1 2 ASN HD21 H 14.319 -3.357 -3.727 1.00 . A A . 2 ASN HD21 1 1 17 6740 1 1 2 ASN HD22 H 13.558 -1.914 -3.154 1.00 . A A . 2 ASN HD22 1 1 17 6741 1 1 2 ASN N N 13.290 -7.295 -2.444 1.00 . A A . 2 ASN N 1 1 17 6742 1 1 2 ASN ND2 N 13.566 -2.884 -3.310 1.00 . A A . 2 ASN ND2 1 1 17 6743 1 1 2 ASN O O 11.441 -5.886 -0.628 1.00 . A A . 2 ASN O 1 1 17 6744 1 1 2 ASN OD1 O 11.562 -3.060 -2.415 1.00 . A A . 2 ASN OD1 1 1 17 6745 1 1 3 LYS C C 13.642 -3.761 1.888 1.00 . A A . 3 LYS C 1 1 17 6746 1 1 3 LYS CA C 12.984 -5.050 1.480 1.00 . A A . 3 LYS CA 1 1 17 6747 1 1 3 LYS CB C 13.413 -6.179 2.403 1.00 . A A . 3 LYS CB 1 1 17 6748 1 1 3 LYS CD C 11.144 -6.691 3.297 1.00 . A A . 3 LYS CD 1 1 17 6749 1 1 3 LYS CE C 10.193 -5.507 3.454 1.00 . A A . 3 LYS CE 1 1 17 6750 1 1 3 LYS CG C 12.582 -6.332 3.655 1.00 . A A . 3 LYS CG 1 1 17 6751 1 1 3 LYS H H 14.400 -5.256 0.009 1.00 . A A . 3 LYS H 1 1 17 6752 1 1 3 LYS HA H 11.909 -4.959 1.473 1.00 . A A . 3 LYS HA 1 1 17 6753 1 1 3 LYS HB2 H 13.351 -7.109 1.857 1.00 . A A . 3 LYS HB2 1 1 17 6754 1 1 3 LYS HB3 H 14.438 -6.012 2.697 1.00 . A A . 3 LYS HB3 1 1 17 6755 1 1 3 LYS HD2 H 11.117 -7.020 2.268 1.00 . A A . 3 LYS HD2 1 1 17 6756 1 1 3 LYS HD3 H 10.824 -7.502 3.932 1.00 . A A . 3 LYS HD3 1 1 17 6757 1 1 3 LYS HE2 H 10.641 -4.644 2.978 1.00 . A A . 3 LYS HE2 1 1 17 6758 1 1 3 LYS HE3 H 9.253 -5.736 2.974 1.00 . A A . 3 LYS HE3 1 1 17 6759 1 1 3 LYS HG2 H 13.022 -7.122 4.242 1.00 . A A . 3 LYS HG2 1 1 17 6760 1 1 3 LYS HG3 H 12.594 -5.404 4.206 1.00 . A A . 3 LYS HG3 1 1 17 6761 1 1 3 LYS HZ1 H 9.363 -4.341 4.980 1.00 . A A . 3 LYS HZ1 1 1 17 6762 1 1 3 LYS HZ2 H 10.842 -4.990 5.385 1.00 . A A . 3 LYS HZ2 1 1 17 6763 1 1 3 LYS HZ3 H 9.475 -5.959 5.364 1.00 . A A . 3 LYS HZ3 1 1 17 6764 1 1 3 LYS N N 13.438 -5.322 0.168 1.00 . A A . 3 LYS N 1 1 17 6765 1 1 3 LYS NZ N 9.961 -5.183 4.869 1.00 . A A . 3 LYS NZ 1 1 17 6766 1 1 3 LYS O O 14.869 -3.668 1.871 1.00 . A A . 3 LYS O 1 1 17 6767 1 1 4 LEU C C 12.304 -0.665 3.152 1.00 . A A . 4 LEU C 1 1 17 6768 1 1 4 LEU CA C 13.371 -1.458 2.446 1.00 . A A . 4 LEU CA 1 1 17 6769 1 1 4 LEU CB C 13.644 -0.818 1.074 1.00 . A A . 4 LEU CB 1 1 17 6770 1 1 4 LEU CD1 C 15.954 0.119 1.387 1.00 . A A . 4 LEU CD1 1 1 17 6771 1 1 4 LEU CD2 C 14.422 1.112 -0.320 1.00 . A A . 4 LEU CD2 1 1 17 6772 1 1 4 LEU CG C 14.509 0.446 1.040 1.00 . A A . 4 LEU CG 1 1 17 6773 1 1 4 LEU H H 11.894 -2.907 2.341 1.00 . A A . 4 LEU H 1 1 17 6774 1 1 4 LEU HA H 14.282 -1.475 3.021 1.00 . A A . 4 LEU HA 1 1 17 6775 1 1 4 LEU HB2 H 14.094 -1.588 0.468 1.00 . A A . 4 LEU HB2 1 1 17 6776 1 1 4 LEU HB3 H 12.685 -0.587 0.632 1.00 . A A . 4 LEU HB3 1 1 17 6777 1 1 4 LEU HD11 H 16.011 -0.331 2.367 1.00 . A A . 4 LEU HD11 1 1 17 6778 1 1 4 LEU HD12 H 16.535 1.029 1.382 1.00 . A A . 4 LEU HD12 1 1 17 6779 1 1 4 LEU HD13 H 16.349 -0.567 0.652 1.00 . A A . 4 LEU HD13 1 1 17 6780 1 1 4 LEU HD21 H 15.010 2.018 -0.316 1.00 . A A . 4 LEU HD21 1 1 17 6781 1 1 4 LEU HD22 H 13.392 1.336 -0.560 1.00 . A A . 4 LEU HD22 1 1 17 6782 1 1 4 LEU HD23 H 14.822 0.436 -1.060 1.00 . A A . 4 LEU HD23 1 1 17 6783 1 1 4 LEU HG H 14.144 1.138 1.783 1.00 . A A . 4 LEU HG 1 1 17 6784 1 1 4 LEU N N 12.856 -2.775 2.214 1.00 . A A . 4 LEU N 1 1 17 6785 1 1 4 LEU O O 11.130 -1.051 3.120 1.00 . A A . 4 LEU O 1 1 17 6786 1 1 5 ALA C C 10.736 1.844 3.429 1.00 . A A . 5 ALA C 1 1 17 6787 1 1 5 ALA CA C 11.775 1.339 4.417 1.00 . A A . 5 ALA CA 1 1 17 6788 1 1 5 ALA CB C 12.546 2.491 5.033 1.00 . A A . 5 ALA CB 1 1 17 6789 1 1 5 ALA H H 13.650 0.637 3.784 1.00 . A A . 5 ALA H 1 1 17 6790 1 1 5 ALA HA H 11.271 0.798 5.199 1.00 . A A . 5 ALA HA 1 1 17 6791 1 1 5 ALA HB1 H 13.277 2.093 5.722 1.00 . A A . 5 ALA HB1 1 1 17 6792 1 1 5 ALA HB2 H 11.868 3.149 5.556 1.00 . A A . 5 ALA HB2 1 1 17 6793 1 1 5 ALA HB3 H 13.054 3.029 4.247 1.00 . A A . 5 ALA HB3 1 1 17 6794 1 1 5 ALA N N 12.691 0.431 3.755 1.00 . A A . 5 ALA N 1 1 17 6795 1 1 5 ALA O O 9.555 1.919 3.732 1.00 . A A . 5 ALA O 1 1 17 6796 1 1 6 TYR C C 9.511 1.422 0.555 1.00 . A A . 6 TYR C 1 1 17 6797 1 1 6 TYR CA C 10.306 2.559 1.166 1.00 . A A . 6 TYR CA 1 1 17 6798 1 1 6 TYR CB C 11.066 3.350 0.106 1.00 . A A . 6 TYR CB 1 1 17 6799 1 1 6 TYR CD1 C 10.605 5.811 0.306 1.00 . A A . 6 TYR CD1 1 1 17 6800 1 1 6 TYR CD2 C 12.605 4.979 1.285 1.00 . A A . 6 TYR CD2 1 1 17 6801 1 1 6 TYR CE1 C 10.907 7.080 0.741 1.00 . A A . 6 TYR CE1 1 1 17 6802 1 1 6 TYR CE2 C 12.923 6.249 1.723 1.00 . A A . 6 TYR CE2 1 1 17 6803 1 1 6 TYR CG C 11.443 4.740 0.567 1.00 . A A . 6 TYR CG 1 1 17 6804 1 1 6 TYR CZ C 12.071 7.297 1.452 1.00 . A A . 6 TYR CZ 1 1 17 6805 1 1 6 TYR H H 12.142 1.993 2.081 1.00 . A A . 6 TYR H 1 1 17 6806 1 1 6 TYR HA H 9.592 3.217 1.638 1.00 . A A . 6 TYR HA 1 1 17 6807 1 1 6 TYR HB2 H 11.974 2.820 -0.141 1.00 . A A . 6 TYR HB2 1 1 17 6808 1 1 6 TYR HB3 H 10.452 3.439 -0.777 1.00 . A A . 6 TYR HB3 1 1 17 6809 1 1 6 TYR HD1 H 9.696 5.644 -0.252 1.00 . A A . 6 TYR HD1 1 1 17 6810 1 1 6 TYR HD2 H 13.272 4.156 1.498 1.00 . A A . 6 TYR HD2 1 1 17 6811 1 1 6 TYR HE1 H 10.225 7.886 0.514 1.00 . A A . 6 TYR HE1 1 1 17 6812 1 1 6 TYR HE2 H 13.834 6.416 2.277 1.00 . A A . 6 TYR HE2 1 1 17 6813 1 1 6 TYR HH H 13.333 8.682 1.906 1.00 . A A . 6 TYR HH 1 1 17 6814 1 1 6 TYR N N 11.182 2.104 2.230 1.00 . A A . 6 TYR N 1 1 17 6815 1 1 6 TYR O O 8.564 1.644 -0.179 1.00 . A A . 6 TYR O 1 1 17 6816 1 1 6 TYR OH O 12.374 8.562 1.906 1.00 . A A . 6 TYR OH 1 1 17 6817 1 1 7 ASN C C 7.932 -1.088 1.250 1.00 . A A . 7 ASN C 1 1 17 6818 1 1 7 ASN CA C 9.153 -0.939 0.384 1.00 . A A . 7 ASN CA 1 1 17 6819 1 1 7 ASN CB C 9.995 -2.230 0.439 1.00 . A A . 7 ASN CB 1 1 17 6820 1 1 7 ASN CG C 9.204 -3.490 0.075 1.00 . A A . 7 ASN CG 1 1 17 6821 1 1 7 ASN H H 10.685 0.086 1.421 1.00 . A A . 7 ASN H 1 1 17 6822 1 1 7 ASN HA H 8.841 -0.755 -0.630 1.00 . A A . 7 ASN HA 1 1 17 6823 1 1 7 ASN HB2 H 10.817 -2.134 -0.254 1.00 . A A . 7 ASN HB2 1 1 17 6824 1 1 7 ASN HB3 H 10.392 -2.347 1.436 1.00 . A A . 7 ASN HB3 1 1 17 6825 1 1 7 ASN HD21 H 9.834 -3.370 -1.776 1.00 . A A . 7 ASN HD21 1 1 17 6826 1 1 7 ASN HD22 H 8.787 -4.700 -1.410 1.00 . A A . 7 ASN HD22 1 1 17 6827 1 1 7 ASN N N 9.907 0.207 0.842 1.00 . A A . 7 ASN N 1 1 17 6828 1 1 7 ASN ND2 N 9.272 -3.891 -1.156 1.00 . A A . 7 ASN ND2 1 1 17 6829 1 1 7 ASN O O 6.817 -0.996 0.787 1.00 . A A . 7 ASN O 1 1 17 6830 1 1 7 ASN OD1 O 8.588 -4.119 0.931 1.00 . A A . 7 ASN OD1 1 1 17 6831 1 1 8 MET C C 6.405 -0.164 3.833 1.00 . A A . 8 MET C 1 1 17 6832 1 1 8 MET CA C 7.069 -1.467 3.448 1.00 . A A . 8 MET CA 1 1 17 6833 1 1 8 MET CB C 7.463 -2.288 4.663 1.00 . A A . 8 MET CB 1 1 17 6834 1 1 8 MET CE C 5.482 -4.661 4.015 1.00 . A A . 8 MET CE 1 1 17 6835 1 1 8 MET CG C 6.319 -2.528 5.645 1.00 . A A . 8 MET CG 1 1 17 6836 1 1 8 MET H H 9.090 -1.342 2.835 1.00 . A A . 8 MET H 1 1 17 6837 1 1 8 MET HA H 6.323 -2.026 2.904 1.00 . A A . 8 MET HA 1 1 17 6838 1 1 8 MET HB2 H 7.834 -3.246 4.330 1.00 . A A . 8 MET HB2 1 1 17 6839 1 1 8 MET HB3 H 8.250 -1.763 5.184 1.00 . A A . 8 MET HB3 1 1 17 6840 1 1 8 MET HE1 H 4.673 -5.166 3.508 1.00 . A A . 8 MET HE1 1 1 17 6841 1 1 8 MET HE2 H 5.949 -5.331 4.721 1.00 . A A . 8 MET HE2 1 1 17 6842 1 1 8 MET HE3 H 6.213 -4.343 3.285 1.00 . A A . 8 MET HE3 1 1 17 6843 1 1 8 MET HG2 H 6.652 -3.197 6.425 1.00 . A A . 8 MET HG2 1 1 17 6844 1 1 8 MET HG3 H 6.065 -1.577 6.091 1.00 . A A . 8 MET HG3 1 1 17 6845 1 1 8 MET N N 8.159 -1.299 2.523 1.00 . A A . 8 MET N 1 1 17 6846 1 1 8 MET O O 5.238 0.019 3.582 1.00 . A A . 8 MET O 1 1 17 6847 1 1 8 MET SD S 4.829 -3.217 4.866 1.00 . A A . 8 MET SD 1 1 17 6848 1 1 9 GLY C C 5.932 2.852 3.936 1.00 . A A . 9 GLY C 1 1 17 6849 1 1 9 GLY CA C 6.626 1.981 4.954 1.00 . A A . 9 GLY CA 1 1 17 6850 1 1 9 GLY H H 8.152 0.632 4.410 1.00 . A A . 9 GLY H 1 1 17 6851 1 1 9 GLY HA2 H 5.917 1.729 5.728 1.00 . A A . 9 GLY HA2 1 1 17 6852 1 1 9 GLY HA3 H 7.435 2.541 5.396 1.00 . A A . 9 GLY HA3 1 1 17 6853 1 1 9 GLY N N 7.176 0.750 4.397 1.00 . A A . 9 GLY N 1 1 17 6854 1 1 9 GLY O O 4.796 3.293 4.160 1.00 . A A . 9 GLY O 1 1 17 6855 1 1 10 HIS C C 4.749 3.293 1.186 1.00 . A A . 10 HIS C 1 1 17 6856 1 1 10 HIS CA C 6.035 3.908 1.756 1.00 . A A . 10 HIS CA 1 1 17 6857 1 1 10 HIS CB C 7.093 4.157 0.674 1.00 . A A . 10 HIS CB 1 1 17 6858 1 1 10 HIS CD2 C 6.693 4.945 -1.741 1.00 . A A . 10 HIS CD2 1 1 17 6859 1 1 10 HIS CE1 C 5.727 6.815 -1.311 1.00 . A A . 10 HIS CE1 1 1 17 6860 1 1 10 HIS CG C 6.650 5.077 -0.402 1.00 . A A . 10 HIS CG 1 1 17 6861 1 1 10 HIS H H 7.463 2.641 2.703 1.00 . A A . 10 HIS H 1 1 17 6862 1 1 10 HIS HA H 5.748 4.862 2.178 1.00 . A A . 10 HIS HA 1 1 17 6863 1 1 10 HIS HB2 H 7.960 4.602 1.139 1.00 . A A . 10 HIS HB2 1 1 17 6864 1 1 10 HIS HB3 H 7.373 3.212 0.230 1.00 . A A . 10 HIS HB3 1 1 17 6865 1 1 10 HIS HD1 H 5.867 6.663 0.727 1.00 . A A . 10 HIS HD1 1 1 17 6866 1 1 10 HIS HD2 H 7.141 4.124 -2.279 1.00 . A A . 10 HIS HD2 1 1 17 6867 1 1 10 HIS HE1 H 5.209 7.758 -1.370 1.00 . A A . 10 HIS HE1 1 1 17 6868 1 1 10 HIS N N 6.586 3.068 2.809 1.00 . A A . 10 HIS N 1 1 17 6869 1 1 10 HIS ND1 N 6.041 6.270 -0.159 1.00 . A A . 10 HIS ND1 1 1 17 6870 1 1 10 HIS NE2 N 6.098 6.058 -2.321 1.00 . A A . 10 HIS NE2 1 1 17 6871 1 1 10 HIS O O 3.763 3.995 0.938 1.00 . A A . 10 HIS O 1 1 17 6872 1 1 11 TYR C C 2.507 1.183 1.597 1.00 . A A . 11 TYR C 1 1 17 6873 1 1 11 TYR CA C 3.571 1.294 0.542 1.00 . A A . 11 TYR CA 1 1 17 6874 1 1 11 TYR CB C 3.885 -0.075 -0.012 1.00 . A A . 11 TYR CB 1 1 17 6875 1 1 11 TYR CD1 C 3.305 -0.212 -2.432 1.00 . A A . 11 TYR CD1 1 1 17 6876 1 1 11 TYR CD2 C 5.597 0.092 -1.866 1.00 . A A . 11 TYR CD2 1 1 17 6877 1 1 11 TYR CE1 C 3.616 -0.204 -3.764 1.00 . A A . 11 TYR CE1 1 1 17 6878 1 1 11 TYR CE2 C 5.927 0.100 -3.206 1.00 . A A . 11 TYR CE2 1 1 17 6879 1 1 11 TYR CG C 4.279 -0.067 -1.461 1.00 . A A . 11 TYR CG 1 1 17 6880 1 1 11 TYR CZ C 4.929 -0.044 -4.155 1.00 . A A . 11 TYR CZ 1 1 17 6881 1 1 11 TYR H H 5.567 1.479 1.194 1.00 . A A . 11 TYR H 1 1 17 6882 1 1 11 TYR HA H 3.157 1.886 -0.261 1.00 . A A . 11 TYR HA 1 1 17 6883 1 1 11 TYR HB2 H 4.691 -0.484 0.575 1.00 . A A . 11 TYR HB2 1 1 17 6884 1 1 11 TYR HB3 H 3.021 -0.713 0.104 1.00 . A A . 11 TYR HB3 1 1 17 6885 1 1 11 TYR HD1 H 2.277 -0.333 -2.119 1.00 . A A . 11 TYR HD1 1 1 17 6886 1 1 11 TYR HD2 H 6.367 0.203 -1.117 1.00 . A A . 11 TYR HD2 1 1 17 6887 1 1 11 TYR HE1 H 2.816 -0.321 -4.479 1.00 . A A . 11 TYR HE1 1 1 17 6888 1 1 11 TYR HE2 H 6.956 0.223 -3.509 1.00 . A A . 11 TYR HE2 1 1 17 6889 1 1 11 TYR HH H 5.950 -0.681 -5.610 1.00 . A A . 11 TYR HH 1 1 17 6890 1 1 11 TYR N N 4.752 1.988 1.007 1.00 . A A . 11 TYR N 1 1 17 6891 1 1 11 TYR O O 1.352 1.221 1.274 1.00 . A A . 11 TYR O 1 1 17 6892 1 1 11 TYR OH O 5.246 -0.031 -5.493 1.00 . A A . 11 TYR OH 1 1 17 6893 1 1 12 ALA C C 0.923 1.999 3.990 1.00 . A A . 12 ALA C 1 1 17 6894 1 1 12 ALA CA C 1.963 0.900 3.963 1.00 . A A . 12 ALA CA 1 1 17 6895 1 1 12 ALA CB C 2.695 0.832 5.298 1.00 . A A . 12 ALA CB 1 1 17 6896 1 1 12 ALA H H 3.865 1.091 3.055 1.00 . A A . 12 ALA H 1 1 17 6897 1 1 12 ALA HA H 1.468 -0.047 3.803 1.00 . A A . 12 ALA HA 1 1 17 6898 1 1 12 ALA HB1 H 1.989 0.615 6.088 1.00 . A A . 12 ALA HB1 1 1 17 6899 1 1 12 ALA HB2 H 3.176 1.779 5.497 1.00 . A A . 12 ALA HB2 1 1 17 6900 1 1 12 ALA HB3 H 3.443 0.053 5.259 1.00 . A A . 12 ALA HB3 1 1 17 6901 1 1 12 ALA N N 2.901 1.080 2.855 1.00 . A A . 12 ALA N 1 1 17 6902 1 1 12 ALA O O -0.257 1.728 4.106 1.00 . A A . 12 ALA O 1 1 17 6903 1 1 13 GLY C C -0.459 4.332 2.600 1.00 . A A . 13 GLY C 1 1 17 6904 1 1 13 GLY CA C 0.446 4.339 3.816 1.00 . A A . 13 GLY CA 1 1 17 6905 1 1 13 GLY H H 2.331 3.350 3.691 1.00 . A A . 13 GLY H 1 1 17 6906 1 1 13 GLY HA2 H -0.169 4.292 4.702 1.00 . A A . 13 GLY HA2 1 1 17 6907 1 1 13 GLY HA3 H 1.001 5.265 3.822 1.00 . A A . 13 GLY HA3 1 1 17 6908 1 1 13 GLY N N 1.366 3.223 3.819 1.00 . A A . 13 GLY N 1 1 17 6909 1 1 13 GLY O O -1.644 4.660 2.690 1.00 . A A . 13 GLY O 1 1 17 6910 1 1 14 LYS C C -1.615 2.722 0.188 1.00 . A A . 14 LYS C 1 1 17 6911 1 1 14 LYS CA C -0.672 3.911 0.238 1.00 . A A . 14 LYS CA 1 1 17 6912 1 1 14 LYS CB C 0.220 3.996 -1.013 1.00 . A A . 14 LYS CB 1 1 17 6913 1 1 14 LYS CD C 1.629 6.000 -0.246 1.00 . A A . 14 LYS CD 1 1 17 6914 1 1 14 LYS CE C 2.161 7.373 -0.631 1.00 . A A . 14 LYS CE 1 1 17 6915 1 1 14 LYS CG C 0.749 5.410 -1.343 1.00 . A A . 14 LYS CG 1 1 17 6916 1 1 14 LYS H H 1.015 3.610 1.476 1.00 . A A . 14 LYS H 1 1 17 6917 1 1 14 LYS HA H -1.292 4.794 0.276 1.00 . A A . 14 LYS HA 1 1 17 6918 1 1 14 LYS HB2 H 1.069 3.344 -0.872 1.00 . A A . 14 LYS HB2 1 1 17 6919 1 1 14 LYS HB3 H -0.356 3.642 -1.856 1.00 . A A . 14 LYS HB3 1 1 17 6920 1 1 14 LYS HD2 H 1.055 6.084 0.665 1.00 . A A . 14 LYS HD2 1 1 17 6921 1 1 14 LYS HD3 H 2.465 5.338 -0.078 1.00 . A A . 14 LYS HD3 1 1 17 6922 1 1 14 LYS HE2 H 2.760 7.276 -1.526 1.00 . A A . 14 LYS HE2 1 1 17 6923 1 1 14 LYS HE3 H 1.324 8.027 -0.832 1.00 . A A . 14 LYS HE3 1 1 17 6924 1 1 14 LYS HG2 H 1.327 5.371 -2.253 1.00 . A A . 14 LYS HG2 1 1 17 6925 1 1 14 LYS HG3 H -0.100 6.062 -1.493 1.00 . A A . 14 LYS HG3 1 1 17 6926 1 1 14 LYS HZ1 H 3.448 8.852 0.126 1.00 . A A . 14 LYS HZ1 1 1 17 6927 1 1 14 LYS HZ2 H 3.761 7.326 0.730 1.00 . A A . 14 LYS HZ2 1 1 17 6928 1 1 14 LYS HZ3 H 2.444 8.179 1.290 1.00 . A A . 14 LYS HZ3 1 1 17 6929 1 1 14 LYS N N 0.089 3.941 1.472 1.00 . A A . 14 LYS N 1 1 17 6930 1 1 14 LYS NZ N 2.999 7.968 0.440 1.00 . A A . 14 LYS NZ 1 1 17 6931 1 1 14 LYS O O -2.685 2.785 -0.409 1.00 . A A . 14 LYS O 1 1 17 6932 1 1 15 ALA C C -3.240 0.645 1.743 1.00 . A A . 15 ALA C 1 1 17 6933 1 1 15 ALA CA C -2.008 0.452 0.888 1.00 . A A . 15 ALA CA 1 1 17 6934 1 1 15 ALA CB C -1.177 -0.717 1.381 1.00 . A A . 15 ALA CB 1 1 17 6935 1 1 15 ALA H H -0.342 1.656 1.267 1.00 . A A . 15 ALA H 1 1 17 6936 1 1 15 ALA HA H -2.339 0.233 -0.114 1.00 . A A . 15 ALA HA 1 1 17 6937 1 1 15 ALA HB1 H -0.331 -0.864 0.723 1.00 . A A . 15 ALA HB1 1 1 17 6938 1 1 15 ALA HB2 H -1.786 -1.607 1.411 1.00 . A A . 15 ALA HB2 1 1 17 6939 1 1 15 ALA HB3 H -0.820 -0.497 2.375 1.00 . A A . 15 ALA HB3 1 1 17 6940 1 1 15 ALA N N -1.224 1.657 0.830 1.00 . A A . 15 ALA N 1 1 17 6941 1 1 15 ALA O O -4.260 0.041 1.493 1.00 . A A . 15 ALA O 1 1 17 6942 1 1 16 THR C C -5.334 2.597 2.783 1.00 . A A . 16 THR C 1 1 17 6943 1 1 16 THR CA C -4.301 1.758 3.557 1.00 . A A . 16 THR CA 1 1 17 6944 1 1 16 THR CB C -3.914 2.464 4.860 1.00 . A A . 16 THR CB 1 1 17 6945 1 1 16 THR CG2 C -5.066 2.377 5.849 1.00 . A A . 16 THR CG2 1 1 17 6946 1 1 16 THR H H -2.297 1.917 2.932 1.00 . A A . 16 THR H 1 1 17 6947 1 1 16 THR HA H -4.752 0.807 3.799 1.00 . A A . 16 THR HA 1 1 17 6948 1 1 16 THR HB H -3.685 3.501 4.670 1.00 . A A . 16 THR HB 1 1 17 6949 1 1 16 THR HG1 H -3.021 1.340 6.234 1.00 . A A . 16 THR HG1 1 1 17 6950 1 1 16 THR HG21 H -5.284 1.336 6.042 1.00 . A A . 16 THR HG21 1 1 17 6951 1 1 16 THR HG22 H -5.936 2.848 5.414 1.00 . A A . 16 THR HG22 1 1 17 6952 1 1 16 THR HG23 H -4.807 2.874 6.771 1.00 . A A . 16 THR HG23 1 1 17 6953 1 1 16 THR N N -3.155 1.491 2.731 1.00 . A A . 16 THR N 1 1 17 6954 1 1 16 THR O O -6.530 2.416 2.937 1.00 . A A . 16 THR O 1 1 17 6955 1 1 16 THR OG1 O -2.776 1.797 5.421 1.00 . A A . 16 THR OG1 1 1 17 6956 1 1 17 ILE C C -6.325 3.446 -0.038 1.00 . A A . 17 ILE C 1 1 17 6957 1 1 17 ILE CA C -5.815 4.269 1.160 1.00 . A A . 17 ILE CA 1 1 17 6958 1 1 17 ILE CB C -5.302 5.704 0.746 1.00 . A A . 17 ILE CB 1 1 17 6959 1 1 17 ILE CD1 C -7.626 6.776 0.739 1.00 . A A . 17 ILE CD1 1 1 17 6960 1 1 17 ILE CG1 C -6.363 6.478 -0.047 1.00 . A A . 17 ILE CG1 1 1 17 6961 1 1 17 ILE CG2 C -3.986 5.661 -0.008 1.00 . A A . 17 ILE CG2 1 1 17 6962 1 1 17 ILE H H -3.909 3.664 1.870 1.00 . A A . 17 ILE H 1 1 17 6963 1 1 17 ILE HA H -6.684 4.384 1.790 1.00 . A A . 17 ILE HA 1 1 17 6964 1 1 17 ILE HB H -5.109 6.242 1.662 1.00 . A A . 17 ILE HB 1 1 17 6965 1 1 17 ILE HD11 H -8.099 5.846 1.019 1.00 . A A . 17 ILE HD11 1 1 17 6966 1 1 17 ILE HD12 H -8.302 7.366 0.136 1.00 . A A . 17 ILE HD12 1 1 17 6967 1 1 17 ILE HD13 H -7.367 7.328 1.631 1.00 . A A . 17 ILE HD13 1 1 17 6968 1 1 17 ILE HG12 H -5.947 7.419 -0.374 1.00 . A A . 17 ILE HG12 1 1 17 6969 1 1 17 ILE HG13 H -6.638 5.887 -0.909 1.00 . A A . 17 ILE HG13 1 1 17 6970 1 1 17 ILE HG21 H -3.241 5.195 0.619 1.00 . A A . 17 ILE HG21 1 1 17 6971 1 1 17 ILE HG22 H -3.675 6.662 -0.269 1.00 . A A . 17 ILE HG22 1 1 17 6972 1 1 17 ILE HG23 H -4.111 5.075 -0.908 1.00 . A A . 17 ILE HG23 1 1 17 6973 1 1 17 ILE N N -4.875 3.514 1.952 1.00 . A A . 17 ILE N 1 1 17 6974 1 1 17 ILE O O -7.512 3.267 -0.193 1.00 . A A . 17 ILE O 1 1 17 6975 1 1 18 PHE C C -6.211 0.738 -1.741 1.00 . A A . 18 PHE C 1 1 17 6976 1 1 18 PHE CA C -5.786 2.170 -2.033 1.00 . A A . 18 PHE CA 1 1 17 6977 1 1 18 PHE CB C -4.683 2.194 -3.066 1.00 . A A . 18 PHE CB 1 1 17 6978 1 1 18 PHE CD1 C -5.392 4.314 -4.147 1.00 . A A . 18 PHE CD1 1 1 17 6979 1 1 18 PHE CD2 C -3.111 4.079 -3.535 1.00 . A A . 18 PHE CD2 1 1 17 6980 1 1 18 PHE CE1 C -5.137 5.570 -4.649 1.00 . A A . 18 PHE CE1 1 1 17 6981 1 1 18 PHE CE2 C -2.843 5.340 -4.032 1.00 . A A . 18 PHE CE2 1 1 17 6982 1 1 18 PHE CG C -4.388 3.561 -3.584 1.00 . A A . 18 PHE CG 1 1 17 6983 1 1 18 PHE CZ C -3.859 6.088 -4.595 1.00 . A A . 18 PHE CZ 1 1 17 6984 1 1 18 PHE H H -4.464 3.051 -0.644 1.00 . A A . 18 PHE H 1 1 17 6985 1 1 18 PHE HA H -6.639 2.676 -2.454 1.00 . A A . 18 PHE HA 1 1 17 6986 1 1 18 PHE HB2 H -3.780 1.800 -2.622 1.00 . A A . 18 PHE HB2 1 1 17 6987 1 1 18 PHE HB3 H -4.982 1.572 -3.897 1.00 . A A . 18 PHE HB3 1 1 17 6988 1 1 18 PHE HD1 H -6.386 3.890 -4.163 1.00 . A A . 18 PHE HD1 1 1 17 6989 1 1 18 PHE HD2 H -2.328 3.485 -3.089 1.00 . A A . 18 PHE HD2 1 1 17 6990 1 1 18 PHE HE1 H -5.940 6.143 -5.089 1.00 . A A . 18 PHE HE1 1 1 17 6991 1 1 18 PHE HE2 H -1.840 5.739 -3.984 1.00 . A A . 18 PHE HE2 1 1 17 6992 1 1 18 PHE HZ H -3.659 7.074 -4.991 1.00 . A A . 18 PHE HZ 1 1 17 6993 1 1 18 PHE N N -5.419 2.931 -0.848 1.00 . A A . 18 PHE N 1 1 17 6994 1 1 18 PHE O O -7.347 0.355 -2.006 1.00 . A A . 18 PHE O 1 1 17 6995 1 1 19 GLY C C -6.689 -1.712 -0.051 1.00 . A A . 19 GLY C 1 1 17 6996 1 1 19 GLY CA C -5.508 -1.454 -0.941 1.00 . A A . 19 GLY CA 1 1 17 6997 1 1 19 GLY H H -4.432 0.363 -0.937 1.00 . A A . 19 GLY H 1 1 17 6998 1 1 19 GLY HA2 H -5.628 -1.989 -1.872 1.00 . A A . 19 GLY HA2 1 1 17 6999 1 1 19 GLY HA3 H -4.635 -1.826 -0.425 1.00 . A A . 19 GLY HA3 1 1 17 7000 1 1 19 GLY N N -5.288 -0.037 -1.194 1.00 . A A . 19 GLY N 1 1 17 7001 1 1 19 GLY O O -7.576 -2.512 -0.378 1.00 . A A . 19 GLY O 1 1 17 7002 1 1 20 LEU C C -9.114 -0.752 1.442 1.00 . A A . 20 LEU C 1 1 17 7003 1 1 20 LEU CA C -7.774 -1.170 2.018 1.00 . A A . 20 LEU CA 1 1 17 7004 1 1 20 LEU CB C -7.506 -0.391 3.271 1.00 . A A . 20 LEU CB 1 1 17 7005 1 1 20 LEU CD1 C -7.063 -2.143 4.945 1.00 . A A . 20 LEU CD1 1 1 17 7006 1 1 20 LEU CD2 C -8.201 -0.029 5.623 1.00 . A A . 20 LEU CD2 1 1 17 7007 1 1 20 LEU CG C -8.012 -1.040 4.529 1.00 . A A . 20 LEU CG 1 1 17 7008 1 1 20 LEU H H -5.964 -0.402 1.251 1.00 . A A . 20 LEU H 1 1 17 7009 1 1 20 LEU HA H -7.825 -2.218 2.270 1.00 . A A . 20 LEU HA 1 1 17 7010 1 1 20 LEU HB2 H -6.437 -0.264 3.356 1.00 . A A . 20 LEU HB2 1 1 17 7011 1 1 20 LEU HB3 H -7.966 0.582 3.179 1.00 . A A . 20 LEU HB3 1 1 17 7012 1 1 20 LEU HD11 H -6.950 -2.852 4.138 1.00 . A A . 20 LEU HD11 1 1 17 7013 1 1 20 LEU HD12 H -7.433 -2.635 5.831 1.00 . A A . 20 LEU HD12 1 1 17 7014 1 1 20 LEU HD13 H -6.102 -1.691 5.155 1.00 . A A . 20 LEU HD13 1 1 17 7015 1 1 20 LEU HD21 H -7.261 0.464 5.818 1.00 . A A . 20 LEU HD21 1 1 17 7016 1 1 20 LEU HD22 H -8.551 -0.543 6.506 1.00 . A A . 20 LEU HD22 1 1 17 7017 1 1 20 LEU HD23 H -8.942 0.690 5.312 1.00 . A A . 20 LEU HD23 1 1 17 7018 1 1 20 LEU HG H -8.966 -1.496 4.308 1.00 . A A . 20 LEU HG 1 1 17 7019 1 1 20 LEU N N -6.719 -1.011 1.060 1.00 . A A . 20 LEU N 1 1 17 7020 1 1 20 LEU O O -10.139 -1.287 1.838 1.00 . A A . 20 LEU O 1 1 17 7021 1 1 21 ALA C C -11.091 -0.451 -0.817 1.00 . A A . 21 ALA C 1 1 17 7022 1 1 21 ALA CA C -10.338 0.682 -0.126 1.00 . A A . 21 ALA CA 1 1 17 7023 1 1 21 ALA CB C -10.054 1.793 -1.110 1.00 . A A . 21 ALA CB 1 1 17 7024 1 1 21 ALA H H -8.266 0.615 0.204 1.00 . A A . 21 ALA H 1 1 17 7025 1 1 21 ALA HA H -10.968 1.078 0.658 1.00 . A A . 21 ALA HA 1 1 17 7026 1 1 21 ALA HB1 H -10.986 2.159 -1.513 1.00 . A A . 21 ALA HB1 1 1 17 7027 1 1 21 ALA HB2 H -9.421 1.420 -1.904 1.00 . A A . 21 ALA HB2 1 1 17 7028 1 1 21 ALA HB3 H -9.543 2.597 -0.603 1.00 . A A . 21 ALA HB3 1 1 17 7029 1 1 21 ALA N N -9.111 0.210 0.503 1.00 . A A . 21 ALA N 1 1 17 7030 1 1 21 ALA O O -12.299 -0.402 -0.925 1.00 . A A . 21 ALA O 1 1 17 7031 1 1 22 ALA C C -11.830 -3.413 -0.923 1.00 . A A . 22 ALA C 1 1 17 7032 1 1 22 ALA CA C -11.011 -2.604 -1.903 1.00 . A A . 22 ALA CA 1 1 17 7033 1 1 22 ALA CB C -9.966 -3.479 -2.581 1.00 . A A . 22 ALA CB 1 1 17 7034 1 1 22 ALA H H -9.419 -1.519 -1.050 1.00 . A A . 22 ALA H 1 1 17 7035 1 1 22 ALA HA H -11.681 -2.217 -2.657 1.00 . A A . 22 ALA HA 1 1 17 7036 1 1 22 ALA HB1 H -10.454 -4.282 -3.115 1.00 . A A . 22 ALA HB1 1 1 17 7037 1 1 22 ALA HB2 H -9.301 -3.892 -1.837 1.00 . A A . 22 ALA HB2 1 1 17 7038 1 1 22 ALA HB3 H -9.391 -2.884 -3.274 1.00 . A A . 22 ALA HB3 1 1 17 7039 1 1 22 ALA N N -10.384 -1.485 -1.228 1.00 . A A . 22 ALA N 1 1 17 7040 1 1 22 ALA O O -12.844 -3.979 -1.271 1.00 . A A . 22 ALA O 1 1 17 7041 1 1 23 TRP C C -13.087 -3.308 2.041 1.00 . A A . 23 TRP C 1 1 17 7042 1 1 23 TRP CA C -12.102 -4.195 1.301 1.00 . A A . 23 TRP CA 1 1 17 7043 1 1 23 TRP CB C -11.167 -4.930 2.246 1.00 . A A . 23 TRP CB 1 1 17 7044 1 1 23 TRP CD1 C -11.901 -7.127 3.359 1.00 . A A . 23 TRP CD1 1 1 17 7045 1 1 23 TRP CD2 C -11.507 -7.284 1.160 1.00 . A A . 23 TRP CD2 1 1 17 7046 1 1 23 TRP CE2 C -11.909 -8.544 1.628 1.00 . A A . 23 TRP CE2 1 1 17 7047 1 1 23 TRP CE3 C -11.209 -7.133 -0.201 1.00 . A A . 23 TRP CE3 1 1 17 7048 1 1 23 TRP CG C -11.497 -6.392 2.284 1.00 . A A . 23 TRP CG 1 1 17 7049 1 1 23 TRP CH2 C -11.724 -9.468 -0.539 1.00 . A A . 23 TRP CH2 1 1 17 7050 1 1 23 TRP CZ2 C -12.020 -9.649 0.786 1.00 . A A . 23 TRP CZ2 1 1 17 7051 1 1 23 TRP CZ3 C -11.320 -8.221 -1.032 1.00 . A A . 23 TRP CZ3 1 1 17 7052 1 1 23 TRP H H -10.534 -3.026 0.517 1.00 . A A . 23 TRP H 1 1 17 7053 1 1 23 TRP HA H -12.689 -4.929 0.770 1.00 . A A . 23 TRP HA 1 1 17 7054 1 1 23 TRP HB2 H -10.144 -4.781 1.928 1.00 . A A . 23 TRP HB2 1 1 17 7055 1 1 23 TRP HB3 H -11.282 -4.515 3.235 1.00 . A A . 23 TRP HB3 1 1 17 7056 1 1 23 TRP HD1 H -12.001 -6.739 4.361 1.00 . A A . 23 TRP HD1 1 1 17 7057 1 1 23 TRP HE1 H -12.444 -9.161 3.560 1.00 . A A . 23 TRP HE1 1 1 17 7058 1 1 23 TRP HE3 H -10.897 -6.180 -0.601 1.00 . A A . 23 TRP HE3 1 1 17 7059 1 1 23 TRP HH2 H -11.795 -10.297 -1.226 1.00 . A A . 23 TRP HH2 1 1 17 7060 1 1 23 TRP HZ2 H -12.333 -10.616 1.151 1.00 . A A . 23 TRP HZ2 1 1 17 7061 1 1 23 TRP HZ3 H -11.097 -8.105 -2.083 1.00 . A A . 23 TRP HZ3 1 1 17 7062 1 1 23 TRP N N -11.375 -3.476 0.298 1.00 . A A . 23 TRP N 1 1 17 7063 1 1 23 TRP NE1 N -12.143 -8.427 2.974 1.00 . A A . 23 TRP NE1 1 1 17 7064 1 1 23 TRP O O -14.144 -3.746 2.433 1.00 . A A . 23 TRP O 1 1 17 7065 1 1 24 ALA C C -14.690 -0.605 2.055 1.00 . A A . 24 ALA C 1 1 17 7066 1 1 24 ALA CA C -13.567 -1.139 2.957 1.00 . A A . 24 ALA CA 1 1 17 7067 1 1 24 ALA CB C -12.750 0.002 3.546 1.00 . A A . 24 ALA CB 1 1 17 7068 1 1 24 ALA H H -11.810 -1.803 1.976 1.00 . A A . 24 ALA H 1 1 17 7069 1 1 24 ALA HA H -14.014 -1.680 3.779 1.00 . A A . 24 ALA HA 1 1 17 7070 1 1 24 ALA HB1 H -12.288 0.564 2.749 1.00 . A A . 24 ALA HB1 1 1 17 7071 1 1 24 ALA HB2 H -11.986 -0.405 4.194 1.00 . A A . 24 ALA HB2 1 1 17 7072 1 1 24 ALA HB3 H -13.400 0.648 4.117 1.00 . A A . 24 ALA HB3 1 1 17 7073 1 1 24 ALA N N -12.707 -2.076 2.270 1.00 . A A . 24 ALA N 1 1 17 7074 1 1 24 ALA O O -15.852 -0.740 2.360 1.00 . A A . 24 ALA O 1 1 17 7075 1 1 25 LEU C C -15.895 -0.267 -0.950 1.00 . A A . 25 LEU C 1 1 17 7076 1 1 25 LEU CA C -15.242 0.683 0.058 1.00 . A A . 25 LEU CA 1 1 17 7077 1 1 25 LEU CB C -14.574 1.869 -0.685 1.00 . A A . 25 LEU CB 1 1 17 7078 1 1 25 LEU CD1 C -13.332 3.020 1.231 1.00 . A A . 25 LEU CD1 1 1 17 7079 1 1 25 LEU CD2 C -13.888 4.283 -0.845 1.00 . A A . 25 LEU CD2 1 1 17 7080 1 1 25 LEU CG C -14.335 3.184 0.097 1.00 . A A . 25 LEU CG 1 1 17 7081 1 1 25 LEU H H -13.354 0.042 0.743 1.00 . A A . 25 LEU H 1 1 17 7082 1 1 25 LEU HA H -16.037 1.092 0.663 1.00 . A A . 25 LEU HA 1 1 17 7083 1 1 25 LEU HB2 H -13.597 1.527 -1.000 1.00 . A A . 25 LEU HB2 1 1 17 7084 1 1 25 LEU HB3 H -15.162 2.093 -1.563 1.00 . A A . 25 LEU HB3 1 1 17 7085 1 1 25 LEU HD11 H -13.206 3.970 1.729 1.00 . A A . 25 LEU HD11 1 1 17 7086 1 1 25 LEU HD12 H -12.385 2.691 0.830 1.00 . A A . 25 LEU HD12 1 1 17 7087 1 1 25 LEU HD13 H -13.698 2.290 1.939 1.00 . A A . 25 LEU HD13 1 1 17 7088 1 1 25 LEU HD21 H -13.726 5.188 -0.279 1.00 . A A . 25 LEU HD21 1 1 17 7089 1 1 25 LEU HD22 H -14.653 4.460 -1.587 1.00 . A A . 25 LEU HD22 1 1 17 7090 1 1 25 LEU HD23 H -12.965 3.994 -1.327 1.00 . A A . 25 LEU HD23 1 1 17 7091 1 1 25 LEU HG H -15.270 3.493 0.539 1.00 . A A . 25 LEU HG 1 1 17 7092 1 1 25 LEU N N -14.306 0.032 0.975 1.00 . A A . 25 LEU N 1 1 17 7093 1 1 25 LEU O O -17.044 -0.072 -1.327 1.00 . A A . 25 LEU O 1 1 17 7094 1 1 26 LEU C C -16.320 -3.399 -1.964 1.00 . A A . 26 LEU C 1 1 17 7095 1 1 26 LEU CA C -15.621 -2.136 -2.471 1.00 . A A . 26 LEU CA 1 1 17 7096 1 1 26 LEU CB C -14.439 -2.492 -3.388 1.00 . A A . 26 LEU CB 1 1 17 7097 1 1 26 LEU CD1 C -15.620 -2.879 -5.591 1.00 . A A . 26 LEU CD1 1 1 17 7098 1 1 26 LEU CD2 C -13.410 -3.998 -5.115 1.00 . A A . 26 LEU CD2 1 1 17 7099 1 1 26 LEU CG C -14.711 -3.475 -4.527 1.00 . A A . 26 LEU CG 1 1 17 7100 1 1 26 LEU H H -14.268 -1.418 -1.019 1.00 . A A . 26 LEU H 1 1 17 7101 1 1 26 LEU HA H -16.337 -1.584 -3.051 1.00 . A A . 26 LEU HA 1 1 17 7102 1 1 26 LEU HB2 H -14.062 -1.580 -3.827 1.00 . A A . 26 LEU HB2 1 1 17 7103 1 1 26 LEU HB3 H -13.663 -2.912 -2.765 1.00 . A A . 26 LEU HB3 1 1 17 7104 1 1 26 LEU HD11 H -16.571 -2.620 -5.149 1.00 . A A . 26 LEU HD11 1 1 17 7105 1 1 26 LEU HD12 H -15.780 -3.603 -6.376 1.00 . A A . 26 LEU HD12 1 1 17 7106 1 1 26 LEU HD13 H -15.162 -1.993 -6.002 1.00 . A A . 26 LEU HD13 1 1 17 7107 1 1 26 LEU HD21 H -13.627 -4.661 -5.939 1.00 . A A . 26 LEU HD21 1 1 17 7108 1 1 26 LEU HD22 H -12.873 -4.545 -4.352 1.00 . A A . 26 LEU HD22 1 1 17 7109 1 1 26 LEU HD23 H -12.812 -3.167 -5.457 1.00 . A A . 26 LEU HD23 1 1 17 7110 1 1 26 LEU HG H -15.236 -4.308 -4.085 1.00 . A A . 26 LEU HG 1 1 17 7111 1 1 26 LEU N N -15.156 -1.262 -1.399 1.00 . A A . 26 LEU N 1 1 17 7112 1 1 26 LEU O O -17.117 -4.010 -2.683 1.00 . A A . 26 LEU O 1 1 17 7113 1 1 27 ALA C C -17.673 -4.718 0.810 1.00 . A A . 27 ALA C 1 1 17 7114 1 1 27 ALA CA C -16.586 -4.987 -0.222 1.00 . A A . 27 ALA CA 1 1 17 7115 1 1 27 ALA CB C -15.471 -5.846 0.346 1.00 . A A . 27 ALA CB 1 1 17 7116 1 1 27 ALA H H -15.480 -3.173 -0.236 1.00 . A A . 27 ALA H 1 1 17 7117 1 1 27 ALA HA H -17.031 -5.523 -1.047 1.00 . A A . 27 ALA HA 1 1 17 7118 1 1 27 ALA HB1 H -15.014 -5.338 1.182 1.00 . A A . 27 ALA HB1 1 1 17 7119 1 1 27 ALA HB2 H -14.730 -6.016 -0.420 1.00 . A A . 27 ALA HB2 1 1 17 7120 1 1 27 ALA HB3 H -15.860 -6.798 0.673 1.00 . A A . 27 ALA HB3 1 1 17 7121 1 1 27 ALA N N -16.045 -3.763 -0.769 1.00 . A A . 27 ALA N 1 1 17 7122 1 1 27 ALA O O -18.848 -4.599 0.418 1.00 . A A . 27 ALA O 1 1 17 7123 1 1 27 ALA OXT O -17.361 -4.643 2.002 1.00 . A A . 27 ALA OXT 1 1 18 7124 1 1 1 ARG C C 16.312 -3.831 -2.563 1.00 . A A . 1 ARG C 1 1 18 7125 1 1 1 ARG CA C 17.124 -3.103 -3.590 1.00 . A A . 1 ARG CA 1 1 18 7126 1 1 1 ARG CB C 18.611 -3.340 -3.333 1.00 . A A . 1 ARG CB 1 1 18 7127 1 1 1 ARG CD C 20.977 -3.070 -4.107 1.00 . A A . 1 ARG CD 1 1 18 7128 1 1 1 ARG CG C 19.535 -2.657 -4.321 1.00 . A A . 1 ARG CG 1 1 18 7129 1 1 1 ARG CZ C 22.234 -3.549 -2.022 1.00 . A A . 1 ARG CZ 1 1 18 7130 1 1 1 ARG H1 H 15.788 -1.567 -3.673 1.00 . A A . 1 ARG H1 1 1 18 7131 1 1 1 ARG H2 H 17.325 -1.133 -4.206 1.00 . A A . 1 ARG H2 1 1 18 7132 1 1 1 ARG H3 H 17.010 -1.349 -2.546 1.00 . A A . 1 ARG H3 1 1 18 7133 1 1 1 ARG HA H 16.865 -3.458 -4.577 1.00 . A A . 1 ARG HA 1 1 18 7134 1 1 1 ARG HB2 H 18.852 -2.968 -2.349 1.00 . A A . 1 ARG HB2 1 1 18 7135 1 1 1 ARG HB3 H 18.817 -4.398 -3.351 1.00 . A A . 1 ARG HB3 1 1 18 7136 1 1 1 ARG HD2 H 21.055 -4.135 -4.259 1.00 . A A . 1 ARG HD2 1 1 18 7137 1 1 1 ARG HD3 H 21.586 -2.563 -4.837 1.00 . A A . 1 ARG HD3 1 1 18 7138 1 1 1 ARG HE H 21.226 -1.844 -2.430 1.00 . A A . 1 ARG HE 1 1 18 7139 1 1 1 ARG HG2 H 19.244 -2.927 -5.325 1.00 . A A . 1 ARG HG2 1 1 18 7140 1 1 1 ARG HG3 H 19.453 -1.589 -4.198 1.00 . A A . 1 ARG HG3 1 1 18 7141 1 1 1 ARG HH11 H 22.241 -5.142 -3.331 1.00 . A A . 1 ARG HH11 1 1 18 7142 1 1 1 ARG HH12 H 23.092 -5.401 -1.898 1.00 . A A . 1 ARG HH12 1 1 18 7143 1 1 1 ARG HH21 H 22.481 -2.217 -0.510 1.00 . A A . 1 ARG HH21 1 1 18 7144 1 1 1 ARG HH22 H 23.298 -3.726 -0.312 1.00 . A A . 1 ARG HH22 1 1 18 7145 1 1 1 ARG N N 16.803 -1.693 -3.505 1.00 . A A . 1 ARG N 1 1 18 7146 1 1 1 ARG NE N 21.469 -2.742 -2.762 1.00 . A A . 1 ARG NE 1 1 18 7147 1 1 1 ARG NH1 N 22.541 -4.764 -2.450 1.00 . A A . 1 ARG NH1 1 1 18 7148 1 1 1 ARG NH2 N 22.694 -3.135 -0.856 1.00 . A A . 1 ARG NH2 1 1 18 7149 1 1 1 ARG O O 16.428 -3.530 -1.370 1.00 . A A . 1 ARG O 1 1 18 7150 1 1 2 ASN C C 13.440 -4.705 -1.607 1.00 . A A . 2 ASN C 1 1 18 7151 1 1 2 ASN CA C 14.566 -5.561 -2.179 1.00 . A A . 2 ASN CA 1 1 18 7152 1 1 2 ASN CB C 15.331 -6.305 -1.059 1.00 . A A . 2 ASN CB 1 1 18 7153 1 1 2 ASN CG C 14.459 -7.210 -0.184 1.00 . A A . 2 ASN CG 1 1 18 7154 1 1 2 ASN H H 15.443 -4.900 -3.995 1.00 . A A . 2 ASN H 1 1 18 7155 1 1 2 ASN HA H 14.100 -6.285 -2.825 1.00 . A A . 2 ASN HA 1 1 18 7156 1 1 2 ASN HB2 H 16.098 -6.919 -1.510 1.00 . A A . 2 ASN HB2 1 1 18 7157 1 1 2 ASN HB3 H 15.796 -5.562 -0.428 1.00 . A A . 2 ASN HB3 1 1 18 7158 1 1 2 ASN HD21 H 13.333 -7.795 -1.729 1.00 . A A . 2 ASN HD21 1 1 18 7159 1 1 2 ASN HD22 H 12.935 -8.449 -0.189 1.00 . A A . 2 ASN HD22 1 1 18 7160 1 1 2 ASN N N 15.469 -4.752 -3.024 1.00 . A A . 2 ASN N 1 1 18 7161 1 1 2 ASN ND2 N 13.489 -7.876 -0.762 1.00 . A A . 2 ASN ND2 1 1 18 7162 1 1 2 ASN O O 12.301 -4.779 -2.054 1.00 . A A . 2 ASN O 1 1 18 7163 1 1 2 ASN OD1 O 14.705 -7.345 1.008 1.00 . A A . 2 ASN OD1 1 1 18 7164 1 1 3 LYS C C 13.175 -1.574 -0.418 1.00 . A A . 3 LYS C 1 1 18 7165 1 1 3 LYS CA C 12.828 -3.003 -0.048 1.00 . A A . 3 LYS CA 1 1 18 7166 1 1 3 LYS CB C 12.911 -3.133 1.474 1.00 . A A . 3 LYS CB 1 1 18 7167 1 1 3 LYS CD C 12.201 -1.823 3.544 1.00 . A A . 3 LYS CD 1 1 18 7168 1 1 3 LYS CE C 13.179 -0.647 3.389 1.00 . A A . 3 LYS CE 1 1 18 7169 1 1 3 LYS CG C 11.792 -2.396 2.196 1.00 . A A . 3 LYS CG 1 1 18 7170 1 1 3 LYS H H 14.730 -3.820 -0.465 1.00 . A A . 3 LYS H 1 1 18 7171 1 1 3 LYS HA H 11.821 -3.229 -0.371 1.00 . A A . 3 LYS HA 1 1 18 7172 1 1 3 LYS HB2 H 12.860 -4.182 1.733 1.00 . A A . 3 LYS HB2 1 1 18 7173 1 1 3 LYS HB3 H 13.854 -2.734 1.811 1.00 . A A . 3 LYS HB3 1 1 18 7174 1 1 3 LYS HD2 H 11.313 -1.477 4.054 1.00 . A A . 3 LYS HD2 1 1 18 7175 1 1 3 LYS HD3 H 12.673 -2.604 4.120 1.00 . A A . 3 LYS HD3 1 1 18 7176 1 1 3 LYS HE2 H 12.984 -0.202 2.420 1.00 . A A . 3 LYS HE2 1 1 18 7177 1 1 3 LYS HE3 H 12.988 0.081 4.164 1.00 . A A . 3 LYS HE3 1 1 18 7178 1 1 3 LYS HG2 H 11.460 -1.580 1.572 1.00 . A A . 3 LYS HG2 1 1 18 7179 1 1 3 LYS HG3 H 10.972 -3.081 2.340 1.00 . A A . 3 LYS HG3 1 1 18 7180 1 1 3 LYS HZ1 H 14.855 -1.483 4.315 1.00 . A A . 3 LYS HZ1 1 1 18 7181 1 1 3 LYS HZ2 H 15.209 -0.192 3.331 1.00 . A A . 3 LYS HZ2 1 1 18 7182 1 1 3 LYS HZ3 H 14.880 -1.686 2.644 1.00 . A A . 3 LYS HZ3 1 1 18 7183 1 1 3 LYS N N 13.775 -3.874 -0.684 1.00 . A A . 3 LYS N 1 1 18 7184 1 1 3 LYS NZ N 14.608 -1.040 3.408 1.00 . A A . 3 LYS NZ 1 1 18 7185 1 1 3 LYS O O 14.351 -1.243 -0.613 1.00 . A A . 3 LYS O 1 1 18 7186 1 1 4 LEU C C 11.344 1.385 0.051 1.00 . A A . 4 LEU C 1 1 18 7187 1 1 4 LEU CA C 12.379 0.661 -0.770 1.00 . A A . 4 LEU CA 1 1 18 7188 1 1 4 LEU CB C 12.184 0.964 -2.251 1.00 . A A . 4 LEU CB 1 1 18 7189 1 1 4 LEU CD1 C 14.180 2.432 -2.698 1.00 . A A . 4 LEU CD1 1 1 18 7190 1 1 4 LEU CD2 C 12.155 2.637 -4.137 1.00 . A A . 4 LEU CD2 1 1 18 7191 1 1 4 LEU CG C 12.662 2.341 -2.737 1.00 . A A . 4 LEU CG 1 1 18 7192 1 1 4 LEU H H 11.262 -1.059 -0.396 1.00 . A A . 4 LEU H 1 1 18 7193 1 1 4 LEU HA H 13.369 0.951 -0.450 1.00 . A A . 4 LEU HA 1 1 18 7194 1 1 4 LEU HB2 H 12.726 0.195 -2.778 1.00 . A A . 4 LEU HB2 1 1 18 7195 1 1 4 LEU HB3 H 11.133 0.860 -2.475 1.00 . A A . 4 LEU HB3 1 1 18 7196 1 1 4 LEU HD11 H 14.608 1.687 -3.353 1.00 . A A . 4 LEU HD11 1 1 18 7197 1 1 4 LEU HD12 H 14.527 2.268 -1.689 1.00 . A A . 4 LEU HD12 1 1 18 7198 1 1 4 LEU HD13 H 14.482 3.415 -3.028 1.00 . A A . 4 LEU HD13 1 1 18 7199 1 1 4 LEU HD21 H 12.537 1.901 -4.828 1.00 . A A . 4 LEU HD21 1 1 18 7200 1 1 4 LEU HD22 H 12.493 3.616 -4.441 1.00 . A A . 4 LEU HD22 1 1 18 7201 1 1 4 LEU HD23 H 11.075 2.612 -4.147 1.00 . A A . 4 LEU HD23 1 1 18 7202 1 1 4 LEU HG H 12.281 3.098 -2.067 1.00 . A A . 4 LEU HG 1 1 18 7203 1 1 4 LEU N N 12.181 -0.740 -0.515 1.00 . A A . 4 LEU N 1 1 18 7204 1 1 4 LEU O O 10.250 0.844 0.252 1.00 . A A . 4 LEU O 1 1 18 7205 1 1 5 ALA C C 9.460 3.651 0.740 1.00 . A A . 5 ALA C 1 1 18 7206 1 1 5 ALA CA C 10.799 3.357 1.395 1.00 . A A . 5 ALA CA 1 1 18 7207 1 1 5 ALA CB C 11.489 4.645 1.791 1.00 . A A . 5 ALA CB 1 1 18 7208 1 1 5 ALA H H 12.554 2.944 0.303 1.00 . A A . 5 ALA H 1 1 18 7209 1 1 5 ALA HA H 10.621 2.782 2.288 1.00 . A A . 5 ALA HA 1 1 18 7210 1 1 5 ALA HB1 H 11.602 5.268 0.916 1.00 . A A . 5 ALA HB1 1 1 18 7211 1 1 5 ALA HB2 H 12.467 4.425 2.192 1.00 . A A . 5 ALA HB2 1 1 18 7212 1 1 5 ALA HB3 H 10.896 5.160 2.531 1.00 . A A . 5 ALA HB3 1 1 18 7213 1 1 5 ALA N N 11.673 2.567 0.527 1.00 . A A . 5 ALA N 1 1 18 7214 1 1 5 ALA O O 8.400 3.534 1.355 1.00 . A A . 5 ALA O 1 1 18 7215 1 1 6 TYR C C 7.555 3.041 -1.636 1.00 . A A . 6 TYR C 1 1 18 7216 1 1 6 TYR CA C 8.313 4.289 -1.256 1.00 . A A . 6 TYR CA 1 1 18 7217 1 1 6 TYR CB C 8.604 5.140 -2.483 1.00 . A A . 6 TYR CB 1 1 18 7218 1 1 6 TYR CD1 C 10.479 6.792 -2.171 1.00 . A A . 6 TYR CD1 1 1 18 7219 1 1 6 TYR CD2 C 8.253 7.521 -1.784 1.00 . A A . 6 TYR CD2 1 1 18 7220 1 1 6 TYR CE1 C 10.950 8.046 -1.853 1.00 . A A . 6 TYR CE1 1 1 18 7221 1 1 6 TYR CE2 C 8.711 8.773 -1.468 1.00 . A A . 6 TYR CE2 1 1 18 7222 1 1 6 TYR CG C 9.125 6.509 -2.143 1.00 . A A . 6 TYR CG 1 1 18 7223 1 1 6 TYR CZ C 10.063 9.032 -1.505 1.00 . A A . 6 TYR CZ 1 1 18 7224 1 1 6 TYR H H 10.404 4.019 -0.913 1.00 . A A . 6 TYR H 1 1 18 7225 1 1 6 TYR HA H 7.689 4.860 -0.585 1.00 . A A . 6 TYR HA 1 1 18 7226 1 1 6 TYR HB2 H 9.322 4.645 -3.117 1.00 . A A . 6 TYR HB2 1 1 18 7227 1 1 6 TYR HB3 H 7.685 5.268 -3.033 1.00 . A A . 6 TYR HB3 1 1 18 7228 1 1 6 TYR HD1 H 11.174 6.013 -2.449 1.00 . A A . 6 TYR HD1 1 1 18 7229 1 1 6 TYR HD2 H 7.193 7.316 -1.752 1.00 . A A . 6 TYR HD2 1 1 18 7230 1 1 6 TYR HE1 H 12.008 8.254 -1.877 1.00 . A A . 6 TYR HE1 1 1 18 7231 1 1 6 TYR HE2 H 8.001 9.538 -1.196 1.00 . A A . 6 TYR HE2 1 1 18 7232 1 1 6 TYR HH H 11.133 10.567 -1.890 1.00 . A A . 6 TYR HH 1 1 18 7233 1 1 6 TYR N N 9.513 3.978 -0.513 1.00 . A A . 6 TYR N 1 1 18 7234 1 1 6 TYR O O 6.342 3.060 -1.764 1.00 . A A . 6 TYR O 1 1 18 7235 1 1 6 TYR OH O 10.527 10.282 -1.194 1.00 . A A . 6 TYR OH 1 1 18 7236 1 1 7 ASN C C 6.900 0.127 -0.991 1.00 . A A . 7 ASN C 1 1 18 7237 1 1 7 ASN CA C 7.606 0.737 -2.172 1.00 . A A . 7 ASN CA 1 1 18 7238 1 1 7 ASN CB C 8.542 -0.272 -2.865 1.00 . A A . 7 ASN CB 1 1 18 7239 1 1 7 ASN CG C 9.005 0.195 -4.245 1.00 . A A . 7 ASN CG 1 1 18 7240 1 1 7 ASN H H 9.215 1.999 -1.629 1.00 . A A . 7 ASN H 1 1 18 7241 1 1 7 ASN HA H 6.841 1.028 -2.875 1.00 . A A . 7 ASN HA 1 1 18 7242 1 1 7 ASN HB2 H 9.413 -0.444 -2.252 1.00 . A A . 7 ASN HB2 1 1 18 7243 1 1 7 ASN HB3 H 8.010 -1.204 -2.982 1.00 . A A . 7 ASN HB3 1 1 18 7244 1 1 7 ASN HD21 H 8.972 -1.655 -4.919 1.00 . A A . 7 ASN HD21 1 1 18 7245 1 1 7 ASN HD22 H 9.453 -0.443 -6.047 1.00 . A A . 7 ASN HD22 1 1 18 7246 1 1 7 ASN N N 8.254 1.966 -1.801 1.00 . A A . 7 ASN N 1 1 18 7247 1 1 7 ASN ND2 N 9.163 -0.722 -5.157 1.00 . A A . 7 ASN ND2 1 1 18 7248 1 1 7 ASN O O 5.740 -0.248 -1.069 1.00 . A A . 7 ASN O 1 1 18 7249 1 1 7 ASN OD1 O 9.178 1.381 -4.493 1.00 . A A . 7 ASN OD1 1 1 18 7250 1 1 8 MET C C 6.107 0.446 2.016 1.00 . A A . 8 MET C 1 1 18 7251 1 1 8 MET CA C 7.024 -0.543 1.293 1.00 . A A . 8 MET CA 1 1 18 7252 1 1 8 MET CB C 8.115 -1.068 2.237 1.00 . A A . 8 MET CB 1 1 18 7253 1 1 8 MET CE C 5.728 -3.382 2.374 1.00 . A A . 8 MET CE 1 1 18 7254 1 1 8 MET CG C 7.625 -1.640 3.581 1.00 . A A . 8 MET CG 1 1 18 7255 1 1 8 MET H H 8.531 0.340 0.113 1.00 . A A . 8 MET H 1 1 18 7256 1 1 8 MET HA H 6.422 -1.374 0.969 1.00 . A A . 8 MET HA 1 1 18 7257 1 1 8 MET HB2 H 8.651 -1.848 1.715 1.00 . A A . 8 MET HB2 1 1 18 7258 1 1 8 MET HB3 H 8.799 -0.258 2.438 1.00 . A A . 8 MET HB3 1 1 18 7259 1 1 8 MET HE1 H 5.013 -2.614 2.631 1.00 . A A . 8 MET HE1 1 1 18 7260 1 1 8 MET HE2 H 5.243 -4.347 2.398 1.00 . A A . 8 MET HE2 1 1 18 7261 1 1 8 MET HE3 H 6.121 -3.218 1.382 1.00 . A A . 8 MET HE3 1 1 18 7262 1 1 8 MET HG2 H 8.428 -1.555 4.296 1.00 . A A . 8 MET HG2 1 1 18 7263 1 1 8 MET HG3 H 6.804 -1.023 3.918 1.00 . A A . 8 MET HG3 1 1 18 7264 1 1 8 MET N N 7.602 0.019 0.102 1.00 . A A . 8 MET N 1 1 18 7265 1 1 8 MET O O 4.903 0.237 2.097 1.00 . A A . 8 MET O 1 1 18 7266 1 1 8 MET SD S 7.083 -3.383 3.544 1.00 . A A . 8 MET SD 1 1 18 7267 1 1 9 GLY C C 4.932 3.313 2.577 1.00 . A A . 9 GLY C 1 1 18 7268 1 1 9 GLY CA C 5.965 2.488 3.294 1.00 . A A . 9 GLY CA 1 1 18 7269 1 1 9 GLY H H 7.621 1.742 2.263 1.00 . A A . 9 GLY H 1 1 18 7270 1 1 9 GLY HA2 H 5.474 1.930 4.076 1.00 . A A . 9 GLY HA2 1 1 18 7271 1 1 9 GLY HA3 H 6.682 3.151 3.754 1.00 . A A . 9 GLY HA3 1 1 18 7272 1 1 9 GLY N N 6.679 1.546 2.462 1.00 . A A . 9 GLY N 1 1 18 7273 1 1 9 GLY O O 3.838 3.528 3.104 1.00 . A A . 9 GLY O 1 1 18 7274 1 1 10 HIS C C 3.097 3.832 0.193 1.00 . A A . 10 HIS C 1 1 18 7275 1 1 10 HIS CA C 4.314 4.637 0.674 1.00 . A A . 10 HIS CA 1 1 18 7276 1 1 10 HIS CB C 5.015 5.385 -0.464 1.00 . A A . 10 HIS CB 1 1 18 7277 1 1 10 HIS CD2 C 3.780 6.739 -2.257 1.00 . A A . 10 HIS CD2 1 1 18 7278 1 1 10 HIS CE1 C 3.126 8.380 -1.019 1.00 . A A . 10 HIS CE1 1 1 18 7279 1 1 10 HIS CG C 4.231 6.512 -1.012 1.00 . A A . 10 HIS CG 1 1 18 7280 1 1 10 HIS H H 6.121 3.540 0.999 1.00 . A A . 10 HIS H 1 1 18 7281 1 1 10 HIS HA H 3.936 5.365 1.382 1.00 . A A . 10 HIS HA 1 1 18 7282 1 1 10 HIS HB2 H 5.941 5.798 -0.096 1.00 . A A . 10 HIS HB2 1 1 18 7283 1 1 10 HIS HB3 H 5.224 4.694 -1.268 1.00 . A A . 10 HIS HB3 1 1 18 7284 1 1 10 HIS HD1 H 3.975 7.732 0.705 1.00 . A A . 10 HIS HD1 1 1 18 7285 1 1 10 HIS HD2 H 3.984 6.119 -3.116 1.00 . A A . 10 HIS HD2 1 1 18 7286 1 1 10 HIS HE1 H 2.669 9.282 -0.646 1.00 . A A . 10 HIS HE1 1 1 18 7287 1 1 10 HIS N N 5.248 3.777 1.386 1.00 . A A . 10 HIS N 1 1 18 7288 1 1 10 HIS ND1 N 3.807 7.567 -0.251 1.00 . A A . 10 HIS ND1 1 1 18 7289 1 1 10 HIS NE2 N 3.067 7.933 -2.263 1.00 . A A . 10 HIS NE2 1 1 18 7290 1 1 10 HIS O O 1.957 4.297 0.286 1.00 . A A . 10 HIS O 1 1 18 7291 1 1 11 TYR C C 1.438 1.257 0.543 1.00 . A A . 11 TYR C 1 1 18 7292 1 1 11 TYR CA C 2.220 1.727 -0.649 1.00 . A A . 11 TYR CA 1 1 18 7293 1 1 11 TYR CB C 2.649 0.536 -1.491 1.00 . A A . 11 TYR CB 1 1 18 7294 1 1 11 TYR CD1 C 4.169 1.205 -3.361 1.00 . A A . 11 TYR CD1 1 1 18 7295 1 1 11 TYR CD2 C 1.873 0.885 -3.833 1.00 . A A . 11 TYR CD2 1 1 18 7296 1 1 11 TYR CE1 C 4.403 1.526 -4.678 1.00 . A A . 11 TYR CE1 1 1 18 7297 1 1 11 TYR CE2 C 2.085 1.201 -5.148 1.00 . A A . 11 TYR CE2 1 1 18 7298 1 1 11 TYR CG C 2.909 0.880 -2.922 1.00 . A A . 11 TYR CG 1 1 18 7299 1 1 11 TYR CZ C 3.354 1.527 -5.570 1.00 . A A . 11 TYR CZ 1 1 18 7300 1 1 11 TYR H H 4.252 2.287 -0.363 1.00 . A A . 11 TYR H 1 1 18 7301 1 1 11 TYR HA H 1.552 2.337 -1.241 1.00 . A A . 11 TYR HA 1 1 18 7302 1 1 11 TYR HB2 H 3.553 0.124 -1.072 1.00 . A A . 11 TYR HB2 1 1 18 7303 1 1 11 TYR HB3 H 1.875 -0.218 -1.458 1.00 . A A . 11 TYR HB3 1 1 18 7304 1 1 11 TYR HD1 H 4.962 1.196 -2.629 1.00 . A A . 11 TYR HD1 1 1 18 7305 1 1 11 TYR HD2 H 0.880 0.629 -3.493 1.00 . A A . 11 TYR HD2 1 1 18 7306 1 1 11 TYR HE1 H 5.399 1.773 -5.005 1.00 . A A . 11 TYR HE1 1 1 18 7307 1 1 11 TYR HE2 H 1.245 1.194 -5.828 1.00 . A A . 11 TYR HE2 1 1 18 7308 1 1 11 TYR HH H 4.361 1.398 -7.182 1.00 . A A . 11 TYR HH 1 1 18 7309 1 1 11 TYR N N 3.328 2.603 -0.267 1.00 . A A . 11 TYR N 1 1 18 7310 1 1 11 TYR O O 0.241 1.062 0.443 1.00 . A A . 11 TYR O 1 1 18 7311 1 1 11 TYR OH O 3.570 1.863 -6.881 1.00 . A A . 11 TYR OH 1 1 18 7312 1 1 12 ALA C C 0.363 1.679 3.289 1.00 . A A . 12 ALA C 1 1 18 7313 1 1 12 ALA CA C 1.447 0.686 2.907 1.00 . A A . 12 ALA CA 1 1 18 7314 1 1 12 ALA CB C 2.446 0.538 4.037 1.00 . A A . 12 ALA CB 1 1 18 7315 1 1 12 ALA H H 3.080 1.241 1.687 1.00 . A A . 12 ALA H 1 1 18 7316 1 1 12 ALA HA H 0.982 -0.272 2.727 1.00 . A A . 12 ALA HA 1 1 18 7317 1 1 12 ALA HB1 H 3.228 -0.144 3.737 1.00 . A A . 12 ALA HB1 1 1 18 7318 1 1 12 ALA HB2 H 1.947 0.151 4.913 1.00 . A A . 12 ALA HB2 1 1 18 7319 1 1 12 ALA HB3 H 2.876 1.504 4.264 1.00 . A A . 12 ALA HB3 1 1 18 7320 1 1 12 ALA N N 2.108 1.100 1.678 1.00 . A A . 12 ALA N 1 1 18 7321 1 1 12 ALA O O -0.662 1.311 3.833 1.00 . A A . 12 ALA O 1 1 18 7322 1 1 13 GLY C C -1.548 3.832 2.232 1.00 . A A . 13 GLY C 1 1 18 7323 1 1 13 GLY CA C -0.404 3.934 3.234 1.00 . A A . 13 GLY CA 1 1 18 7324 1 1 13 GLY H H 1.460 3.176 2.595 1.00 . A A . 13 GLY H 1 1 18 7325 1 1 13 GLY HA2 H -0.794 3.805 4.234 1.00 . A A . 13 GLY HA2 1 1 18 7326 1 1 13 GLY HA3 H 0.052 4.909 3.153 1.00 . A A . 13 GLY HA3 1 1 18 7327 1 1 13 GLY N N 0.594 2.933 2.986 1.00 . A A . 13 GLY N 1 1 18 7328 1 1 13 GLY O O -2.721 3.724 2.619 1.00 . A A . 13 GLY O 1 1 18 7329 1 1 14 LYS C C -3.018 2.497 -0.168 1.00 . A A . 14 LYS C 1 1 18 7330 1 1 14 LYS CA C -2.185 3.751 -0.123 1.00 . A A . 14 LYS CA 1 1 18 7331 1 1 14 LYS CB C -1.591 4.067 -1.511 1.00 . A A . 14 LYS CB 1 1 18 7332 1 1 14 LYS CD C -0.301 6.186 -0.934 1.00 . A A . 14 LYS CD 1 1 18 7333 1 1 14 LYS CE C -0.260 7.695 -1.119 1.00 . A A . 14 LYS CE 1 1 18 7334 1 1 14 LYS CG C -1.391 5.556 -1.788 1.00 . A A . 14 LYS CG 1 1 18 7335 1 1 14 LYS H H -0.242 3.693 0.742 1.00 . A A . 14 LYS H 1 1 18 7336 1 1 14 LYS HA H -2.866 4.550 0.127 1.00 . A A . 14 LYS HA 1 1 18 7337 1 1 14 LYS HB2 H -0.631 3.580 -1.597 1.00 . A A . 14 LYS HB2 1 1 18 7338 1 1 14 LYS HB3 H -2.253 3.673 -2.269 1.00 . A A . 14 LYS HB3 1 1 18 7339 1 1 14 LYS HD2 H -0.501 5.965 0.105 1.00 . A A . 14 LYS HD2 1 1 18 7340 1 1 14 LYS HD3 H 0.657 5.768 -1.209 1.00 . A A . 14 LYS HD3 1 1 18 7341 1 1 14 LYS HE2 H -1.191 8.109 -0.767 1.00 . A A . 14 LYS HE2 1 1 18 7342 1 1 14 LYS HE3 H 0.548 8.089 -0.520 1.00 . A A . 14 LYS HE3 1 1 18 7343 1 1 14 LYS HG2 H -1.132 5.687 -2.828 1.00 . A A . 14 LYS HG2 1 1 18 7344 1 1 14 LYS HG3 H -2.325 6.063 -1.593 1.00 . A A . 14 LYS HG3 1 1 18 7345 1 1 14 LYS HZ1 H 0.870 7.800 -2.901 1.00 . A A . 14 LYS HZ1 1 1 18 7346 1 1 14 LYS HZ2 H -0.156 9.121 -2.668 1.00 . A A . 14 LYS HZ2 1 1 18 7347 1 1 14 LYS HZ3 H -0.774 7.653 -3.130 1.00 . A A . 14 LYS HZ3 1 1 18 7348 1 1 14 LYS N N -1.197 3.762 0.953 1.00 . A A . 14 LYS N 1 1 18 7349 1 1 14 LYS NZ N -0.054 8.096 -2.526 1.00 . A A . 14 LYS NZ 1 1 18 7350 1 1 14 LYS O O -4.223 2.567 -0.387 1.00 . A A . 14 LYS O 1 1 18 7351 1 1 15 ALA C C -4.065 0.006 1.208 1.00 . A A . 15 ALA C 1 1 18 7352 1 1 15 ALA CA C -3.121 0.116 0.036 1.00 . A A . 15 ALA CA 1 1 18 7353 1 1 15 ALA CB C -2.178 -1.070 -0.009 1.00 . A A . 15 ALA CB 1 1 18 7354 1 1 15 ALA H H -1.441 1.362 0.272 1.00 . A A . 15 ALA H 1 1 18 7355 1 1 15 ALA HA H -3.710 0.117 -0.869 1.00 . A A . 15 ALA HA 1 1 18 7356 1 1 15 ALA HB1 H -1.542 -0.988 -0.879 1.00 . A A . 15 ALA HB1 1 1 18 7357 1 1 15 ALA HB2 H -2.776 -1.966 -0.071 1.00 . A A . 15 ALA HB2 1 1 18 7358 1 1 15 ALA HB3 H -1.578 -1.092 0.889 1.00 . A A . 15 ALA HB3 1 1 18 7359 1 1 15 ALA N N -2.405 1.366 0.071 1.00 . A A . 15 ALA N 1 1 18 7360 1 1 15 ALA O O -5.097 -0.623 1.111 1.00 . A A . 15 ALA O 1 1 18 7361 1 1 16 THR C C -5.782 1.537 3.260 1.00 . A A . 16 THR C 1 1 18 7362 1 1 16 THR CA C -4.591 0.583 3.449 1.00 . A A . 16 THR CA 1 1 18 7363 1 1 16 THR CB C -3.852 0.866 4.765 1.00 . A A . 16 THR CB 1 1 18 7364 1 1 16 THR CG2 C -4.734 0.508 5.953 1.00 . A A . 16 THR CG2 1 1 18 7365 1 1 16 THR H H -2.874 1.112 2.339 1.00 . A A . 16 THR H 1 1 18 7366 1 1 16 THR HA H -4.979 -0.425 3.477 1.00 . A A . 16 THR HA 1 1 18 7367 1 1 16 THR HB H -3.590 1.914 4.809 1.00 . A A . 16 THR HB 1 1 18 7368 1 1 16 THR HG1 H -1.927 0.530 4.521 1.00 . A A . 16 THR HG1 1 1 18 7369 1 1 16 THR HG21 H -4.206 0.705 6.875 1.00 . A A . 16 THR HG21 1 1 18 7370 1 1 16 THR HG22 H -4.973 -0.546 5.892 1.00 . A A . 16 THR HG22 1 1 18 7371 1 1 16 THR HG23 H -5.644 1.088 5.916 1.00 . A A . 16 THR HG23 1 1 18 7372 1 1 16 THR N N -3.720 0.619 2.310 1.00 . A A . 16 THR N 1 1 18 7373 1 1 16 THR O O -6.882 1.260 3.706 1.00 . A A . 16 THR O 1 1 18 7374 1 1 16 THR OG1 O -2.695 0.020 4.816 1.00 . A A . 16 THR OG1 1 1 18 7375 1 1 17 ILE C C -7.534 3.083 1.181 1.00 . A A . 17 ILE C 1 1 18 7376 1 1 17 ILE CA C -6.677 3.551 2.380 1.00 . A A . 17 ILE CA 1 1 18 7377 1 1 17 ILE CB C -6.287 5.071 2.277 1.00 . A A . 17 ILE CB 1 1 18 7378 1 1 17 ILE CD1 C -8.537 5.918 3.159 1.00 . A A . 17 ILE CD1 1 1 18 7379 1 1 17 ILE CG1 C -7.520 5.962 2.037 1.00 . A A . 17 ILE CG1 1 1 18 7380 1 1 17 ILE CG2 C -5.232 5.329 1.222 1.00 . A A . 17 ILE CG2 1 1 18 7381 1 1 17 ILE H H -4.653 2.918 2.347 1.00 . A A . 17 ILE H 1 1 18 7382 1 1 17 ILE HA H -7.313 3.428 3.245 1.00 . A A . 17 ILE HA 1 1 18 7383 1 1 17 ILE HB H -5.855 5.337 3.230 1.00 . A A . 17 ILE HB 1 1 18 7384 1 1 17 ILE HD11 H -8.913 4.913 3.274 1.00 . A A . 17 ILE HD11 1 1 18 7385 1 1 17 ILE HD12 H -9.357 6.584 2.933 1.00 . A A . 17 ILE HD12 1 1 18 7386 1 1 17 ILE HD13 H -8.064 6.229 4.078 1.00 . A A . 17 ILE HD13 1 1 18 7387 1 1 17 ILE HG12 H -7.203 6.987 1.918 1.00 . A A . 17 ILE HG12 1 1 18 7388 1 1 17 ILE HG13 H -8.009 5.640 1.129 1.00 . A A . 17 ILE HG13 1 1 18 7389 1 1 17 ILE HG21 H -4.344 4.769 1.476 1.00 . A A . 17 ILE HG21 1 1 18 7390 1 1 17 ILE HG22 H -5.008 6.385 1.184 1.00 . A A . 17 ILE HG22 1 1 18 7391 1 1 17 ILE HG23 H -5.607 4.997 0.265 1.00 . A A . 17 ILE HG23 1 1 18 7392 1 1 17 ILE N N -5.560 2.674 2.632 1.00 . A A . 17 ILE N 1 1 18 7393 1 1 17 ILE O O -8.721 2.878 1.321 1.00 . A A . 17 ILE O 1 1 18 7394 1 1 18 PHE C C -7.982 1.031 -1.206 1.00 . A A . 18 PHE C 1 1 18 7395 1 1 18 PHE CA C -7.651 2.515 -1.171 1.00 . A A . 18 PHE CA 1 1 18 7396 1 1 18 PHE CB C -6.921 2.947 -2.445 1.00 . A A . 18 PHE CB 1 1 18 7397 1 1 18 PHE CD1 C -7.740 5.319 -2.329 1.00 . A A . 18 PHE CD1 1 1 18 7398 1 1 18 PHE CD2 C -5.445 4.938 -2.842 1.00 . A A . 18 PHE CD2 1 1 18 7399 1 1 18 PHE CE1 C -7.543 6.683 -2.421 1.00 . A A . 18 PHE CE1 1 1 18 7400 1 1 18 PHE CE2 C -5.243 6.299 -2.936 1.00 . A A . 18 PHE CE2 1 1 18 7401 1 1 18 PHE CG C -6.695 4.434 -2.539 1.00 . A A . 18 PHE CG 1 1 18 7402 1 1 18 PHE CZ C -6.294 7.175 -2.725 1.00 . A A . 18 PHE CZ 1 1 18 7403 1 1 18 PHE H H -5.945 3.003 -0.035 1.00 . A A . 18 PHE H 1 1 18 7404 1 1 18 PHE HA H -8.587 3.052 -1.126 1.00 . A A . 18 PHE HA 1 1 18 7405 1 1 18 PHE HB2 H -5.956 2.464 -2.478 1.00 . A A . 18 PHE HB2 1 1 18 7406 1 1 18 PHE HB3 H -7.505 2.640 -3.300 1.00 . A A . 18 PHE HB3 1 1 18 7407 1 1 18 PHE HD1 H -8.719 4.931 -2.088 1.00 . A A . 18 PHE HD1 1 1 18 7408 1 1 18 PHE HD2 H -4.622 4.259 -3.008 1.00 . A A . 18 PHE HD2 1 1 18 7409 1 1 18 PHE HE1 H -8.365 7.362 -2.250 1.00 . A A . 18 PHE HE1 1 1 18 7410 1 1 18 PHE HE2 H -4.263 6.678 -3.176 1.00 . A A . 18 PHE HE2 1 1 18 7411 1 1 18 PHE HZ H -6.137 8.240 -2.798 1.00 . A A . 18 PHE HZ 1 1 18 7412 1 1 18 PHE N N -6.922 2.904 0.024 1.00 . A A . 18 PHE N 1 1 18 7413 1 1 18 PHE O O -9.154 0.647 -1.219 1.00 . A A . 18 PHE O 1 1 18 7414 1 1 19 GLY C C -7.954 -1.812 -0.227 1.00 . A A . 19 GLY C 1 1 18 7415 1 1 19 GLY CA C -7.085 -1.238 -1.306 1.00 . A A . 19 GLY CA 1 1 18 7416 1 1 19 GLY H H -6.035 0.590 -1.226 1.00 . A A . 19 GLY H 1 1 18 7417 1 1 19 GLY HA2 H -7.496 -1.519 -2.263 1.00 . A A . 19 GLY HA2 1 1 18 7418 1 1 19 GLY HA3 H -6.106 -1.680 -1.199 1.00 . A A . 19 GLY HA3 1 1 18 7419 1 1 19 GLY N N -6.941 0.208 -1.229 1.00 . A A . 19 GLY N 1 1 18 7420 1 1 19 GLY O O -8.874 -2.588 -0.506 1.00 . A A . 19 GLY O 1 1 18 7421 1 1 20 LEU C C -9.895 -1.464 2.051 1.00 . A A . 20 LEU C 1 1 18 7422 1 1 20 LEU CA C -8.440 -1.939 2.110 1.00 . A A . 20 LEU CA 1 1 18 7423 1 1 20 LEU CB C -7.825 -1.542 3.420 1.00 . A A . 20 LEU CB 1 1 18 7424 1 1 20 LEU CD1 C -6.994 -3.691 4.264 1.00 . A A . 20 LEU CD1 1 1 18 7425 1 1 20 LEU CD2 C -7.751 -1.960 5.876 1.00 . A A . 20 LEU CD2 1 1 18 7426 1 1 20 LEU CG C -7.964 -2.566 4.513 1.00 . A A . 20 LEU CG 1 1 18 7427 1 1 20 LEU H H -6.879 -0.881 1.159 1.00 . A A . 20 LEU H 1 1 18 7428 1 1 20 LEU HA H -8.440 -3.016 2.042 1.00 . A A . 20 LEU HA 1 1 18 7429 1 1 20 LEU HB2 H -6.776 -1.352 3.252 1.00 . A A . 20 LEU HB2 1 1 18 7430 1 1 20 LEU HB3 H -8.288 -0.624 3.748 1.00 . A A . 20 LEU HB3 1 1 18 7431 1 1 20 LEU HD11 H -5.996 -3.276 4.322 1.00 . A A . 20 LEU HD11 1 1 18 7432 1 1 20 LEU HD12 H -7.153 -4.099 3.275 1.00 . A A . 20 LEU HD12 1 1 18 7433 1 1 20 LEU HD13 H -7.114 -4.459 5.012 1.00 . A A . 20 LEU HD13 1 1 18 7434 1 1 20 LEU HD21 H -8.474 -1.175 6.034 1.00 . A A . 20 LEU HD21 1 1 18 7435 1 1 20 LEU HD22 H -6.751 -1.562 5.947 1.00 . A A . 20 LEU HD22 1 1 18 7436 1 1 20 LEU HD23 H -7.901 -2.736 6.613 1.00 . A A . 20 LEU HD23 1 1 18 7437 1 1 20 LEU HG H -8.961 -2.974 4.461 1.00 . A A . 20 LEU HG 1 1 18 7438 1 1 20 LEU N N -7.675 -1.444 0.999 1.00 . A A . 20 LEU N 1 1 18 7439 1 1 20 LEU O O -10.793 -2.184 2.474 1.00 . A A . 20 LEU O 1 1 18 7440 1 1 21 ALA C C -12.335 -0.618 0.456 1.00 . A A . 21 ALA C 1 1 18 7441 1 1 21 ALA CA C -11.492 0.274 1.341 1.00 . A A . 21 ALA CA 1 1 18 7442 1 1 21 ALA CB C -11.483 1.687 0.788 1.00 . A A . 21 ALA CB 1 1 18 7443 1 1 21 ALA H H -9.395 0.280 1.136 1.00 . A A . 21 ALA H 1 1 18 7444 1 1 21 ALA HA H -11.940 0.292 2.324 1.00 . A A . 21 ALA HA 1 1 18 7445 1 1 21 ALA HB1 H -10.897 2.327 1.431 1.00 . A A . 21 ALA HB1 1 1 18 7446 1 1 21 ALA HB2 H -12.496 2.056 0.730 1.00 . A A . 21 ALA HB2 1 1 18 7447 1 1 21 ALA HB3 H -11.046 1.679 -0.200 1.00 . A A . 21 ALA HB3 1 1 18 7448 1 1 21 ALA N N -10.135 -0.265 1.481 1.00 . A A . 21 ALA N 1 1 18 7449 1 1 21 ALA O O -13.546 -0.646 0.579 1.00 . A A . 21 ALA O 1 1 18 7450 1 1 22 ALA C C -12.907 -3.447 -0.484 1.00 . A A . 22 ALA C 1 1 18 7451 1 1 22 ALA CA C -12.379 -2.274 -1.289 1.00 . A A . 22 ALA CA 1 1 18 7452 1 1 22 ALA CB C -11.488 -2.746 -2.419 1.00 . A A . 22 ALA CB 1 1 18 7453 1 1 22 ALA H H -10.712 -1.264 -0.484 1.00 . A A . 22 ALA H 1 1 18 7454 1 1 22 ALA HA H -13.225 -1.751 -1.709 1.00 . A A . 22 ALA HA 1 1 18 7455 1 1 22 ALA HB1 H -11.146 -1.892 -2.985 1.00 . A A . 22 ALA HB1 1 1 18 7456 1 1 22 ALA HB2 H -12.059 -3.402 -3.060 1.00 . A A . 22 ALA HB2 1 1 18 7457 1 1 22 ALA HB3 H -10.641 -3.278 -2.010 1.00 . A A . 22 ALA HB3 1 1 18 7458 1 1 22 ALA N N -11.689 -1.348 -0.426 1.00 . A A . 22 ALA N 1 1 18 7459 1 1 22 ALA O O -13.929 -4.011 -0.801 1.00 . A A . 22 ALA O 1 1 18 7460 1 1 23 TRP C C -13.546 -4.448 2.486 1.00 . A A . 23 TRP C 1 1 18 7461 1 1 23 TRP CA C -12.643 -4.907 1.364 1.00 . A A . 23 TRP CA 1 1 18 7462 1 1 23 TRP CB C -11.475 -5.732 1.881 1.00 . A A . 23 TRP CB 1 1 18 7463 1 1 23 TRP CD1 C -11.682 -8.190 2.599 1.00 . A A . 23 TRP CD1 1 1 18 7464 1 1 23 TRP CD2 C -12.107 -7.822 0.432 1.00 . A A . 23 TRP CD2 1 1 18 7465 1 1 23 TRP CE2 C -12.261 -9.192 0.685 1.00 . A A . 23 TRP CE2 1 1 18 7466 1 1 23 TRP CE3 C -12.333 -7.347 -0.868 1.00 . A A . 23 TRP CE3 1 1 18 7467 1 1 23 TRP CG C -11.720 -7.198 1.670 1.00 . A A . 23 TRP CG 1 1 18 7468 1 1 23 TRP CH2 C -12.847 -9.599 -1.570 1.00 . A A . 23 TRP CH2 1 1 18 7469 1 1 23 TRP CZ2 C -12.629 -10.096 -0.311 1.00 . A A . 23 TRP CZ2 1 1 18 7470 1 1 23 TRP CZ3 C -12.700 -8.236 -1.850 1.00 . A A . 23 TRP CZ3 1 1 18 7471 1 1 23 TRP H H -11.395 -3.312 0.807 1.00 . A A . 23 TRP H 1 1 18 7472 1 1 23 TRP HA H -13.238 -5.534 0.716 1.00 . A A . 23 TRP HA 1 1 18 7473 1 1 23 TRP HB2 H -10.557 -5.423 1.404 1.00 . A A . 23 TRP HB2 1 1 18 7474 1 1 23 TRP HB3 H -11.390 -5.552 2.941 1.00 . A A . 23 TRP HB3 1 1 18 7475 1 1 23 TRP HD1 H -11.423 -8.046 3.637 1.00 . A A . 23 TRP HD1 1 1 18 7476 1 1 23 TRP HE1 H -12.032 -10.264 2.476 1.00 . A A . 23 TRP HE1 1 1 18 7477 1 1 23 TRP HE3 H -12.222 -6.298 -1.103 1.00 . A A . 23 TRP HE3 1 1 18 7478 1 1 23 TRP HH2 H -13.134 -10.260 -2.374 1.00 . A A . 23 TRP HH2 1 1 18 7479 1 1 23 TRP HZ2 H -12.746 -11.150 -0.107 1.00 . A A . 23 TRP HZ2 1 1 18 7480 1 1 23 TRP HZ3 H -12.883 -7.863 -2.847 1.00 . A A . 23 TRP HZ3 1 1 18 7481 1 1 23 TRP N N -12.204 -3.808 0.561 1.00 . A A . 23 TRP N 1 1 18 7482 1 1 23 TRP NE1 N -11.993 -9.395 2.011 1.00 . A A . 23 TRP NE1 1 1 18 7483 1 1 23 TRP O O -14.512 -5.091 2.800 1.00 . A A . 23 TRP O 1 1 18 7484 1 1 24 ALA C C -15.284 -2.156 3.670 1.00 . A A . 24 ALA C 1 1 18 7485 1 1 24 ALA CA C -14.006 -2.824 4.176 1.00 . A A . 24 ALA CA 1 1 18 7486 1 1 24 ALA CB C -13.196 -1.858 5.012 1.00 . A A . 24 ALA CB 1 1 18 7487 1 1 24 ALA H H -12.381 -2.890 2.822 1.00 . A A . 24 ALA H 1 1 18 7488 1 1 24 ALA HA H -14.281 -3.660 4.803 1.00 . A A . 24 ALA HA 1 1 18 7489 1 1 24 ALA HB1 H -13.799 -1.514 5.839 1.00 . A A . 24 ALA HB1 1 1 18 7490 1 1 24 ALA HB2 H -12.893 -1.016 4.408 1.00 . A A . 24 ALA HB2 1 1 18 7491 1 1 24 ALA HB3 H -12.320 -2.360 5.395 1.00 . A A . 24 ALA HB3 1 1 18 7492 1 1 24 ALA N N -13.207 -3.349 3.095 1.00 . A A . 24 ALA N 1 1 18 7493 1 1 24 ALA O O -16.371 -2.532 4.029 1.00 . A A . 24 ALA O 1 1 18 7494 1 1 25 LEU C C -16.996 -0.935 1.188 1.00 . A A . 25 LEU C 1 1 18 7495 1 1 25 LEU CA C -16.234 -0.331 2.382 1.00 . A A . 25 LEU CA 1 1 18 7496 1 1 25 LEU CB C -15.796 1.127 2.073 1.00 . A A . 25 LEU CB 1 1 18 7497 1 1 25 LEU CD1 C -16.639 2.120 4.263 1.00 . A A . 25 LEU CD1 1 1 18 7498 1 1 25 LEU CD2 C -14.179 1.712 3.968 1.00 . A A . 25 LEU CD2 1 1 18 7499 1 1 25 LEU CG C -15.485 2.070 3.270 1.00 . A A . 25 LEU CG 1 1 18 7500 1 1 25 LEU H H -14.220 -0.939 2.532 1.00 . A A . 25 LEU H 1 1 18 7501 1 1 25 LEU HA H -16.935 -0.289 3.199 1.00 . A A . 25 LEU HA 1 1 18 7502 1 1 25 LEU HB2 H -14.883 1.051 1.499 1.00 . A A . 25 LEU HB2 1 1 18 7503 1 1 25 LEU HB3 H -16.556 1.585 1.457 1.00 . A A . 25 LEU HB3 1 1 18 7504 1 1 25 LEU HD11 H -16.802 1.134 4.675 1.00 . A A . 25 LEU HD11 1 1 18 7505 1 1 25 LEU HD12 H -17.540 2.451 3.765 1.00 . A A . 25 LEU HD12 1 1 18 7506 1 1 25 LEU HD13 H -16.397 2.802 5.064 1.00 . A A . 25 LEU HD13 1 1 18 7507 1 1 25 LEU HD21 H -14.245 0.699 4.337 1.00 . A A . 25 LEU HD21 1 1 18 7508 1 1 25 LEU HD22 H -14.021 2.394 4.791 1.00 . A A . 25 LEU HD22 1 1 18 7509 1 1 25 LEU HD23 H -13.355 1.796 3.275 1.00 . A A . 25 LEU HD23 1 1 18 7510 1 1 25 LEU HG H -15.393 3.073 2.877 1.00 . A A . 25 LEU HG 1 1 18 7511 1 1 25 LEU N N -15.119 -1.141 2.860 1.00 . A A . 25 LEU N 1 1 18 7512 1 1 25 LEU O O -18.191 -0.723 1.055 1.00 . A A . 25 LEU O 1 1 18 7513 1 1 26 LEU C C -17.477 -3.552 -0.777 1.00 . A A . 26 LEU C 1 1 18 7514 1 1 26 LEU CA C -16.914 -2.143 -0.915 1.00 . A A . 26 LEU CA 1 1 18 7515 1 1 26 LEU CB C -15.886 -2.088 -2.051 1.00 . A A . 26 LEU CB 1 1 18 7516 1 1 26 LEU CD1 C -17.321 -1.734 -4.101 1.00 . A A . 26 LEU CD1 1 1 18 7517 1 1 26 LEU CD2 C -15.089 -2.918 -4.283 1.00 . A A . 26 LEU CD2 1 1 18 7518 1 1 26 LEU CG C -16.305 -2.636 -3.410 1.00 . A A . 26 LEU CG 1 1 18 7519 1 1 26 LEU H H -15.363 -1.860 0.492 1.00 . A A . 26 LEU H 1 1 18 7520 1 1 26 LEU HA H -17.722 -1.477 -1.157 1.00 . A A . 26 LEU HA 1 1 18 7521 1 1 26 LEU HB2 H -15.583 -1.061 -2.189 1.00 . A A . 26 LEU HB2 1 1 18 7522 1 1 26 LEU HB3 H -15.025 -2.649 -1.720 1.00 . A A . 26 LEU HB3 1 1 18 7523 1 1 26 LEU HD11 H -18.200 -1.649 -3.479 1.00 . A A . 26 LEU HD11 1 1 18 7524 1 1 26 LEU HD12 H -17.592 -2.162 -5.055 1.00 . A A . 26 LEU HD12 1 1 18 7525 1 1 26 LEU HD13 H -16.894 -0.755 -4.260 1.00 . A A . 26 LEU HD13 1 1 18 7526 1 1 26 LEU HD21 H -15.406 -3.296 -5.243 1.00 . A A . 26 LEU HD21 1 1 18 7527 1 1 26 LEU HD22 H -14.476 -3.667 -3.800 1.00 . A A . 26 LEU HD22 1 1 18 7528 1 1 26 LEU HD23 H -14.521 -2.010 -4.419 1.00 . A A . 26 LEU HD23 1 1 18 7529 1 1 26 LEU HG H -16.795 -3.575 -3.204 1.00 . A A . 26 LEU HG 1 1 18 7530 1 1 26 LEU N N -16.304 -1.650 0.321 1.00 . A A . 26 LEU N 1 1 18 7531 1 1 26 LEU O O -18.290 -3.999 -1.600 1.00 . A A . 26 LEU O 1 1 18 7532 1 1 27 ALA C C -18.425 -5.707 1.625 1.00 . A A . 27 ALA C 1 1 18 7533 1 1 27 ALA CA C -17.492 -5.603 0.424 1.00 . A A . 27 ALA CA 1 1 18 7534 1 1 27 ALA CB C -16.294 -6.537 0.562 1.00 . A A . 27 ALA CB 1 1 18 7535 1 1 27 ALA H H -16.448 -3.802 0.852 1.00 . A A . 27 ALA H 1 1 18 7536 1 1 27 ALA HA H -18.047 -5.890 -0.458 1.00 . A A . 27 ALA HA 1 1 18 7537 1 1 27 ALA HB1 H -15.659 -6.445 -0.307 1.00 . A A . 27 ALA HB1 1 1 18 7538 1 1 27 ALA HB2 H -16.643 -7.555 0.640 1.00 . A A . 27 ALA HB2 1 1 18 7539 1 1 27 ALA HB3 H -15.732 -6.284 1.448 1.00 . A A . 27 ALA HB3 1 1 18 7540 1 1 27 ALA N N -17.054 -4.238 0.223 1.00 . A A . 27 ALA N 1 1 18 7541 1 1 27 ALA O O -17.964 -6.068 2.715 1.00 . A A . 27 ALA O 1 1 18 7542 1 1 27 ALA OXT O -19.622 -5.418 1.465 1.00 . A A . 27 ALA OXT 1 1 19 7543 1 1 1 ARG C C -14.440 -9.270 0.828 1.00 . A A . 1 ARG C 1 1 19 7544 1 1 1 ARG CA C -14.082 -10.528 0.032 1.00 . A A . 1 ARG CA 1 1 19 7545 1 1 1 ARG CB C -15.349 -11.302 -0.343 1.00 . A A . 1 ARG CB 1 1 19 7546 1 1 1 ARG CD C -17.567 -11.297 -1.527 1.00 . A A . 1 ARG CD 1 1 19 7547 1 1 1 ARG CG C -16.225 -10.609 -1.386 1.00 . A A . 1 ARG CG 1 1 19 7548 1 1 1 ARG CZ C -18.922 -12.173 0.380 1.00 . A A . 1 ARG CZ 1 1 19 7549 1 1 1 ARG H1 H -13.580 -11.675 1.701 1.00 . A A . 1 ARG H1 1 1 19 7550 1 1 1 ARG H2 H -12.282 -10.863 0.968 1.00 . A A . 1 ARG H2 1 1 19 7551 1 1 1 ARG H3 H -12.946 -12.224 0.246 1.00 . A A . 1 ARG H3 1 1 19 7552 1 1 1 ARG HA H -13.576 -10.206 -0.861 1.00 . A A . 1 ARG HA 1 1 19 7553 1 1 1 ARG HB2 H -15.054 -12.261 -0.740 1.00 . A A . 1 ARG HB2 1 1 19 7554 1 1 1 ARG HB3 H -15.941 -11.457 0.546 1.00 . A A . 1 ARG HB3 1 1 19 7555 1 1 1 ARG HD2 H -18.104 -10.851 -2.352 1.00 . A A . 1 ARG HD2 1 1 19 7556 1 1 1 ARG HD3 H -17.401 -12.344 -1.732 1.00 . A A . 1 ARG HD3 1 1 19 7557 1 1 1 ARG HE H -18.510 -10.237 0.006 1.00 . A A . 1 ARG HE 1 1 19 7558 1 1 1 ARG HG2 H -16.391 -9.592 -1.066 1.00 . A A . 1 ARG HG2 1 1 19 7559 1 1 1 ARG HG3 H -15.718 -10.616 -2.340 1.00 . A A . 1 ARG HG3 1 1 19 7560 1 1 1 ARG HH11 H -18.117 -13.701 -0.746 1.00 . A A . 1 ARG HH11 1 1 19 7561 1 1 1 ARG HH12 H -19.143 -14.196 0.506 1.00 . A A . 1 ARG HH12 1 1 19 7562 1 1 1 ARG HH21 H -19.865 -11.001 1.791 1.00 . A A . 1 ARG HH21 1 1 19 7563 1 1 1 ARG HH22 H -20.067 -12.678 1.966 1.00 . A A . 1 ARG HH22 1 1 19 7564 1 1 1 ARG N N -13.172 -11.372 0.795 1.00 . A A . 1 ARG N 1 1 19 7565 1 1 1 ARG NE N -18.367 -11.164 -0.301 1.00 . A A . 1 ARG NE 1 1 19 7566 1 1 1 ARG NH1 N -18.701 -13.431 0.023 1.00 . A A . 1 ARG NH1 1 1 19 7567 1 1 1 ARG NH2 N -19.666 -11.922 1.440 1.00 . A A . 1 ARG NH2 1 1 19 7568 1 1 1 ARG O O -15.123 -8.369 0.320 1.00 . A A . 1 ARG O 1 1 19 7569 1 1 2 ASN C C -13.371 -6.907 2.598 1.00 . A A . 2 ASN C 1 1 19 7570 1 1 2 ASN CA C -14.319 -8.050 2.887 1.00 . A A . 2 ASN CA 1 1 19 7571 1 1 2 ASN CB C -14.360 -8.410 4.383 1.00 . A A . 2 ASN CB 1 1 19 7572 1 1 2 ASN CG C -14.965 -7.301 5.266 1.00 . A A . 2 ASN CG 1 1 19 7573 1 1 2 ASN H H -13.368 -9.864 2.408 1.00 . A A . 2 ASN H 1 1 19 7574 1 1 2 ASN HA H -15.302 -7.743 2.564 1.00 . A A . 2 ASN HA 1 1 19 7575 1 1 2 ASN HB2 H -14.953 -9.304 4.504 1.00 . A A . 2 ASN HB2 1 1 19 7576 1 1 2 ASN HB3 H -13.355 -8.610 4.722 1.00 . A A . 2 ASN HB3 1 1 19 7577 1 1 2 ASN HD21 H -15.749 -8.654 6.471 1.00 . A A . 2 ASN HD21 1 1 19 7578 1 1 2 ASN HD22 H -16.057 -6.999 6.876 1.00 . A A . 2 ASN HD22 1 1 19 7579 1 1 2 ASN N N -13.975 -9.181 2.053 1.00 . A A . 2 ASN N 1 1 19 7580 1 1 2 ASN ND2 N -15.651 -7.690 6.306 1.00 . A A . 2 ASN ND2 1 1 19 7581 1 1 2 ASN O O -12.258 -6.837 3.111 1.00 . A A . 2 ASN O 1 1 19 7582 1 1 2 ASN OD1 O -14.849 -6.122 4.990 1.00 . A A . 2 ASN OD1 1 1 19 7583 1 1 3 LYS C C -13.846 -3.684 1.459 1.00 . A A . 3 LYS C 1 1 19 7584 1 1 3 LYS CA C -13.059 -4.948 1.256 1.00 . A A . 3 LYS CA 1 1 19 7585 1 1 3 LYS CB C -12.810 -5.109 -0.226 1.00 . A A . 3 LYS CB 1 1 19 7586 1 1 3 LYS CD C -13.987 -5.131 -2.431 1.00 . A A . 3 LYS CD 1 1 19 7587 1 1 3 LYS CE C -13.792 -3.666 -2.760 1.00 . A A . 3 LYS CE 1 1 19 7588 1 1 3 LYS CG C -14.097 -5.328 -0.952 1.00 . A A . 3 LYS CG 1 1 19 7589 1 1 3 LYS H H -14.721 -6.190 1.386 1.00 . A A . 3 LYS H 1 1 19 7590 1 1 3 LYS HA H -12.109 -4.878 1.751 1.00 . A A . 3 LYS HA 1 1 19 7591 1 1 3 LYS HB2 H -12.334 -4.214 -0.598 1.00 . A A . 3 LYS HB2 1 1 19 7592 1 1 3 LYS HB3 H -12.165 -5.957 -0.399 1.00 . A A . 3 LYS HB3 1 1 19 7593 1 1 3 LYS HD2 H -13.143 -5.695 -2.800 1.00 . A A . 3 LYS HD2 1 1 19 7594 1 1 3 LYS HD3 H -14.896 -5.480 -2.896 1.00 . A A . 3 LYS HD3 1 1 19 7595 1 1 3 LYS HE2 H -14.555 -3.106 -2.239 1.00 . A A . 3 LYS HE2 1 1 19 7596 1 1 3 LYS HE3 H -12.826 -3.353 -2.392 1.00 . A A . 3 LYS HE3 1 1 19 7597 1 1 3 LYS HG2 H -14.453 -6.319 -0.722 1.00 . A A . 3 LYS HG2 1 1 19 7598 1 1 3 LYS HG3 H -14.756 -4.584 -0.529 1.00 . A A . 3 LYS HG3 1 1 19 7599 1 1 3 LYS HZ1 H -13.838 -2.426 -4.439 1.00 . A A . 3 LYS HZ1 1 1 19 7600 1 1 3 LYS HZ2 H -14.775 -3.823 -4.574 1.00 . A A . 3 LYS HZ2 1 1 19 7601 1 1 3 LYS HZ3 H -13.113 -3.923 -4.708 1.00 . A A . 3 LYS HZ3 1 1 19 7602 1 1 3 LYS N N -13.811 -6.065 1.729 1.00 . A A . 3 LYS N 1 1 19 7603 1 1 3 LYS NZ N -13.883 -3.437 -4.207 1.00 . A A . 3 LYS NZ 1 1 19 7604 1 1 3 LYS O O -14.967 -3.708 1.964 1.00 . A A . 3 LYS O 1 1 19 7605 1 1 4 LEU C C -12.975 -0.492 0.145 1.00 . A A . 4 LEU C 1 1 19 7606 1 1 4 LEU CA C -13.843 -1.307 1.060 1.00 . A A . 4 LEU CA 1 1 19 7607 1 1 4 LEU CB C -13.779 -0.752 2.489 1.00 . A A . 4 LEU CB 1 1 19 7608 1 1 4 LEU CD1 C -16.078 0.211 2.802 1.00 . A A . 4 LEU CD1 1 1 19 7609 1 1 4 LEU CD2 C -14.171 1.130 4.115 1.00 . A A . 4 LEU CD2 1 1 19 7610 1 1 4 LEU CG C -14.592 0.516 2.791 1.00 . A A . 4 LEU CG 1 1 19 7611 1 1 4 LEU H H -12.379 -2.665 0.609 1.00 . A A . 4 LEU H 1 1 19 7612 1 1 4 LEU HA H -14.856 -1.322 0.692 1.00 . A A . 4 LEU HA 1 1 19 7613 1 1 4 LEU HB2 H -14.156 -1.555 3.102 1.00 . A A . 4 LEU HB2 1 1 19 7614 1 1 4 LEU HB3 H -12.743 -0.576 2.739 1.00 . A A . 4 LEU HB3 1 1 19 7615 1 1 4 LEU HD11 H -16.619 1.131 2.966 1.00 . A A . 4 LEU HD11 1 1 19 7616 1 1 4 LEU HD12 H -16.287 -0.474 3.610 1.00 . A A . 4 LEU HD12 1 1 19 7617 1 1 4 LEU HD13 H -16.390 -0.236 1.871 1.00 . A A . 4 LEU HD13 1 1 19 7618 1 1 4 LEU HD21 H -14.324 0.421 4.915 1.00 . A A . 4 LEU HD21 1 1 19 7619 1 1 4 LEU HD22 H -14.764 2.011 4.310 1.00 . A A . 4 LEU HD22 1 1 19 7620 1 1 4 LEU HD23 H -13.129 1.407 4.073 1.00 . A A . 4 LEU HD23 1 1 19 7621 1 1 4 LEU HG H -14.414 1.239 2.008 1.00 . A A . 4 LEU HG 1 1 19 7622 1 1 4 LEU N N -13.268 -2.611 1.019 1.00 . A A . 4 LEU N 1 1 19 7623 1 1 4 LEU O O -11.846 -0.926 -0.154 1.00 . A A . 4 LEU O 1 1 19 7624 1 1 5 ALA C C -11.467 2.047 -0.487 1.00 . A A . 5 ALA C 1 1 19 7625 1 1 5 ALA CA C -12.713 1.517 -1.179 1.00 . A A . 5 ALA CA 1 1 19 7626 1 1 5 ALA CB C -13.601 2.646 -1.642 1.00 . A A . 5 ALA CB 1 1 19 7627 1 1 5 ALA H H -14.378 0.882 -0.055 1.00 . A A . 5 ALA H 1 1 19 7628 1 1 5 ALA HA H -12.409 0.945 -2.038 1.00 . A A . 5 ALA HA 1 1 19 7629 1 1 5 ALA HB1 H -13.881 3.253 -0.793 1.00 . A A . 5 ALA HB1 1 1 19 7630 1 1 5 ALA HB2 H -14.489 2.232 -2.093 1.00 . A A . 5 ALA HB2 1 1 19 7631 1 1 5 ALA HB3 H -13.071 3.249 -2.362 1.00 . A A . 5 ALA HB3 1 1 19 7632 1 1 5 ALA N N -13.458 0.636 -0.297 1.00 . A A . 5 ALA N 1 1 19 7633 1 1 5 ALA O O -10.431 2.284 -1.109 1.00 . A A . 5 ALA O 1 1 19 7634 1 1 6 TYR C C -9.544 1.488 1.990 1.00 . A A . 6 TYR C 1 1 19 7635 1 1 6 TYR CA C -10.435 2.650 1.591 1.00 . A A . 6 TYR CA 1 1 19 7636 1 1 6 TYR CB C -10.858 3.468 2.805 1.00 . A A . 6 TYR CB 1 1 19 7637 1 1 6 TYR CD1 C -10.545 5.885 2.233 1.00 . A A . 6 TYR CD1 1 1 19 7638 1 1 6 TYR CD2 C -12.769 5.041 2.348 1.00 . A A . 6 TYR CD2 1 1 19 7639 1 1 6 TYR CE1 C -11.023 7.131 1.915 1.00 . A A . 6 TYR CE1 1 1 19 7640 1 1 6 TYR CE2 C -13.259 6.294 2.026 1.00 . A A . 6 TYR CE2 1 1 19 7641 1 1 6 TYR CG C -11.405 4.819 2.455 1.00 . A A . 6 TYR CG 1 1 19 7642 1 1 6 TYR CZ C -12.378 7.332 1.809 1.00 . A A . 6 TYR CZ 1 1 19 7643 1 1 6 TYR H H -12.434 2.022 1.219 1.00 . A A . 6 TYR H 1 1 19 7644 1 1 6 TYR HA H -9.857 3.283 0.935 1.00 . A A . 6 TYR HA 1 1 19 7645 1 1 6 TYR HB2 H -11.614 2.930 3.355 1.00 . A A . 6 TYR HB2 1 1 19 7646 1 1 6 TYR HB3 H -9.997 3.616 3.438 1.00 . A A . 6 TYR HB3 1 1 19 7647 1 1 6 TYR HD1 H -9.481 5.723 2.312 1.00 . A A . 6 TYR HD1 1 1 19 7648 1 1 6 TYR HD2 H -13.452 4.221 2.522 1.00 . A A . 6 TYR HD2 1 1 19 7649 1 1 6 TYR HE1 H -10.332 7.943 1.747 1.00 . A A . 6 TYR HE1 1 1 19 7650 1 1 6 TYR HE2 H -14.325 6.453 1.941 1.00 . A A . 6 TYR HE2 1 1 19 7651 1 1 6 TYR HH H -12.399 8.849 0.688 1.00 . A A . 6 TYR HH 1 1 19 7652 1 1 6 TYR N N -11.566 2.207 0.806 1.00 . A A . 6 TYR N 1 1 19 7653 1 1 6 TYR O O -8.388 1.667 2.323 1.00 . A A . 6 TYR O 1 1 19 7654 1 1 6 TYR OH O -12.856 8.574 1.494 1.00 . A A . 6 TYR OH 1 1 19 7655 1 1 7 ASN C C -8.441 -1.233 1.099 1.00 . A A . 7 ASN C 1 1 19 7656 1 1 7 ASN CA C -9.343 -0.882 2.254 1.00 . A A . 7 ASN CA 1 1 19 7657 1 1 7 ASN CB C -10.276 -2.045 2.622 1.00 . A A . 7 ASN CB 1 1 19 7658 1 1 7 ASN CG C -9.564 -3.392 2.781 1.00 . A A . 7 ASN CG 1 1 19 7659 1 1 7 ASN H H -11.025 0.251 1.670 1.00 . A A . 7 ASN H 1 1 19 7660 1 1 7 ASN HA H -8.714 -0.653 3.096 1.00 . A A . 7 ASN HA 1 1 19 7661 1 1 7 ASN HB2 H -10.754 -1.812 3.563 1.00 . A A . 7 ASN HB2 1 1 19 7662 1 1 7 ASN HB3 H -11.038 -2.141 1.861 1.00 . A A . 7 ASN HB3 1 1 19 7663 1 1 7 ASN HD21 H -9.194 -3.035 4.698 1.00 . A A . 7 ASN HD21 1 1 19 7664 1 1 7 ASN HD22 H -8.642 -4.545 4.097 1.00 . A A . 7 ASN HD22 1 1 19 7665 1 1 7 ASN N N -10.091 0.312 1.947 1.00 . A A . 7 ASN N 1 1 19 7666 1 1 7 ASN ND2 N -9.088 -3.678 3.970 1.00 . A A . 7 ASN ND2 1 1 19 7667 1 1 7 ASN O O -7.241 -1.286 1.242 1.00 . A A . 7 ASN O 1 1 19 7668 1 1 7 ASN OD1 O -9.467 -4.161 1.834 1.00 . A A . 7 ASN OD1 1 1 19 7669 1 1 8 MET C C -7.554 -0.608 -1.860 1.00 . A A . 8 MET C 1 1 19 7670 1 1 8 MET CA C -8.240 -1.812 -1.205 1.00 . A A . 8 MET CA 1 1 19 7671 1 1 8 MET CB C -9.041 -2.652 -2.202 1.00 . A A . 8 MET CB 1 1 19 7672 1 1 8 MET CE C -6.788 -4.732 -0.771 1.00 . A A . 8 MET CE 1 1 19 7673 1 1 8 MET CG C -9.406 -4.062 -1.726 1.00 . A A . 8 MET CG 1 1 19 7674 1 1 8 MET H H -10.006 -1.410 -0.105 1.00 . A A . 8 MET H 1 1 19 7675 1 1 8 MET HA H -7.449 -2.426 -0.811 1.00 . A A . 8 MET HA 1 1 19 7676 1 1 8 MET HB2 H -9.971 -2.145 -2.412 1.00 . A A . 8 MET HB2 1 1 19 7677 1 1 8 MET HB3 H -8.469 -2.746 -3.113 1.00 . A A . 8 MET HB3 1 1 19 7678 1 1 8 MET HE1 H -7.204 -4.506 0.200 1.00 . A A . 8 MET HE1 1 1 19 7679 1 1 8 MET HE2 H -6.282 -3.875 -1.187 1.00 . A A . 8 MET HE2 1 1 19 7680 1 1 8 MET HE3 H -6.060 -5.521 -0.655 1.00 . A A . 8 MET HE3 1 1 19 7681 1 1 8 MET HG2 H -9.684 -4.006 -0.683 1.00 . A A . 8 MET HG2 1 1 19 7682 1 1 8 MET HG3 H -10.261 -4.402 -2.293 1.00 . A A . 8 MET HG3 1 1 19 7683 1 1 8 MET N N -9.026 -1.472 -0.041 1.00 . A A . 8 MET N 1 1 19 7684 1 1 8 MET O O -6.328 -0.536 -1.905 1.00 . A A . 8 MET O 1 1 19 7685 1 1 8 MET SD S -8.079 -5.313 -1.881 1.00 . A A . 8 MET SD 1 1 19 7686 1 1 9 GLY C C -6.947 2.401 -2.284 1.00 . A A . 9 GLY C 1 1 19 7687 1 1 9 GLY CA C -7.849 1.478 -3.068 1.00 . A A . 9 GLY CA 1 1 19 7688 1 1 9 GLY H H -9.319 0.268 -2.161 1.00 . A A . 9 GLY H 1 1 19 7689 1 1 9 GLY HA2 H -7.289 1.110 -3.915 1.00 . A A . 9 GLY HA2 1 1 19 7690 1 1 9 GLY HA3 H -8.689 2.048 -3.439 1.00 . A A . 9 GLY HA3 1 1 19 7691 1 1 9 GLY N N -8.350 0.339 -2.314 1.00 . A A . 9 GLY N 1 1 19 7692 1 1 9 GLY O O -5.851 2.741 -2.745 1.00 . A A . 9 GLY O 1 1 19 7693 1 1 10 HIS C C -5.281 3.118 0.141 1.00 . A A . 10 HIS C 1 1 19 7694 1 1 10 HIS CA C -6.621 3.731 -0.292 1.00 . A A . 10 HIS CA 1 1 19 7695 1 1 10 HIS CB C -7.453 4.181 0.896 1.00 . A A . 10 HIS CB 1 1 19 7696 1 1 10 HIS CD2 C -6.340 5.323 2.893 1.00 . A A . 10 HIS CD2 1 1 19 7697 1 1 10 HIS CE1 C -6.123 7.283 2.040 1.00 . A A . 10 HIS CE1 1 1 19 7698 1 1 10 HIS CG C -6.859 5.292 1.657 1.00 . A A . 10 HIS CG 1 1 19 7699 1 1 10 HIS H H -8.248 2.445 -0.802 1.00 . A A . 10 HIS H 1 1 19 7700 1 1 10 HIS HA H -6.378 4.606 -0.883 1.00 . A A . 10 HIS HA 1 1 19 7701 1 1 10 HIS HB2 H -8.404 4.535 0.528 1.00 . A A . 10 HIS HB2 1 1 19 7702 1 1 10 HIS HB3 H -7.608 3.351 1.569 1.00 . A A . 10 HIS HB3 1 1 19 7703 1 1 10 HIS HD1 H -6.974 6.875 0.262 1.00 . A A . 10 HIS HD1 1 1 19 7704 1 1 10 HIS HD2 H -6.330 4.495 3.585 1.00 . A A . 10 HIS HD2 1 1 19 7705 1 1 10 HIS HE1 H -5.857 8.306 1.846 1.00 . A A . 10 HIS HE1 1 1 19 7706 1 1 10 HIS N N -7.384 2.797 -1.110 1.00 . A A . 10 HIS N 1 1 19 7707 1 1 10 HIS ND1 N -6.710 6.543 1.150 1.00 . A A . 10 HIS ND1 1 1 19 7708 1 1 10 HIS NE2 N -5.863 6.599 3.141 1.00 . A A . 10 HIS NE2 1 1 19 7709 1 1 10 HIS O O -4.237 3.772 0.078 1.00 . A A . 10 HIS O 1 1 19 7710 1 1 11 TYR C C -3.189 0.937 -0.330 1.00 . A A . 11 TYR C 1 1 19 7711 1 1 11 TYR CA C -4.067 1.153 0.873 1.00 . A A . 11 TYR CA 1 1 19 7712 1 1 11 TYR CB C -4.300 -0.166 1.577 1.00 . A A . 11 TYR CB 1 1 19 7713 1 1 11 TYR CD1 C -3.491 -0.191 3.943 1.00 . A A . 11 TYR CD1 1 1 19 7714 1 1 11 TYR CD2 C -5.806 0.180 3.570 1.00 . A A . 11 TYR CD2 1 1 19 7715 1 1 11 TYR CE1 C -3.684 -0.096 5.298 1.00 . A A . 11 TYR CE1 1 1 19 7716 1 1 11 TYR CE2 C -6.010 0.276 4.929 1.00 . A A . 11 TYR CE2 1 1 19 7717 1 1 11 TYR CG C -4.544 -0.054 3.056 1.00 . A A . 11 TYR CG 1 1 19 7718 1 1 11 TYR CZ C -4.943 0.136 5.789 1.00 . A A . 11 TYR CZ 1 1 19 7719 1 1 11 TYR H H -6.157 1.374 0.597 1.00 . A A . 11 TYR H 1 1 19 7720 1 1 11 TYR HA H -3.531 1.807 1.544 1.00 . A A . 11 TYR HA 1 1 19 7721 1 1 11 TYR HB2 H -5.166 -0.626 1.131 1.00 . A A . 11 TYR HB2 1 1 19 7722 1 1 11 TYR HB3 H -3.443 -0.805 1.420 1.00 . A A . 11 TYR HB3 1 1 19 7723 1 1 11 TYR HD1 H -2.500 -0.374 3.554 1.00 . A A . 11 TYR HD1 1 1 19 7724 1 1 11 TYR HD2 H -6.634 0.285 2.882 1.00 . A A . 11 TYR HD2 1 1 19 7725 1 1 11 TYR HE1 H -2.842 -0.204 5.965 1.00 . A A . 11 TYR HE1 1 1 19 7726 1 1 11 TYR HE2 H -7.002 0.456 5.312 1.00 . A A . 11 TYR HE2 1 1 19 7727 1 1 11 TYR HH H -5.908 -0.266 7.425 1.00 . A A . 11 TYR HH 1 1 19 7728 1 1 11 TYR N N -5.302 1.849 0.530 1.00 . A A . 11 TYR N 1 1 19 7729 1 1 11 TYR O O -1.986 1.010 -0.210 1.00 . A A . 11 TYR O 1 1 19 7730 1 1 11 TYR OH O -5.131 0.239 7.146 1.00 . A A . 11 TYR OH 1 1 19 7731 1 1 12 ALA C C -2.130 1.679 -3.002 1.00 . A A . 12 ALA C 1 1 19 7732 1 1 12 ALA CA C -3.018 0.482 -2.723 1.00 . A A . 12 ALA CA 1 1 19 7733 1 1 12 ALA CB C -3.940 0.232 -3.906 1.00 . A A . 12 ALA CB 1 1 19 7734 1 1 12 ALA H H -4.765 0.612 -1.526 1.00 . A A . 12 ALA H 1 1 19 7735 1 1 12 ALA HA H -2.394 -0.388 -2.583 1.00 . A A . 12 ALA HA 1 1 19 7736 1 1 12 ALA HB1 H -3.347 0.041 -4.789 1.00 . A A . 12 ALA HB1 1 1 19 7737 1 1 12 ALA HB2 H -4.553 1.106 -4.068 1.00 . A A . 12 ALA HB2 1 1 19 7738 1 1 12 ALA HB3 H -4.567 -0.622 -3.697 1.00 . A A . 12 ALA HB3 1 1 19 7739 1 1 12 ALA N N -3.785 0.686 -1.488 1.00 . A A . 12 ALA N 1 1 19 7740 1 1 12 ALA O O -0.969 1.531 -3.359 1.00 . A A . 12 ALA O 1 1 19 7741 1 1 13 GLY C C -0.767 4.195 -2.020 1.00 . A A . 13 GLY C 1 1 19 7742 1 1 13 GLY CA C -1.928 4.067 -2.984 1.00 . A A . 13 GLY CA 1 1 19 7743 1 1 13 GLY H H -3.611 2.885 -2.490 1.00 . A A . 13 GLY H 1 1 19 7744 1 1 13 GLY HA2 H -1.550 4.083 -3.993 1.00 . A A . 13 GLY HA2 1 1 19 7745 1 1 13 GLY HA3 H -2.594 4.903 -2.843 1.00 . A A . 13 GLY HA3 1 1 19 7746 1 1 13 GLY N N -2.677 2.857 -2.786 1.00 . A A . 13 GLY N 1 1 19 7747 1 1 13 GLY O O 0.361 4.487 -2.423 1.00 . A A . 13 GLY O 1 1 19 7748 1 1 14 LYS C C 1.024 2.970 0.227 1.00 . A A . 14 LYS C 1 1 19 7749 1 1 14 LYS CA C -0.011 4.059 0.271 1.00 . A A . 14 LYS CA 1 1 19 7750 1 1 14 LYS CB C -0.610 4.187 1.675 1.00 . A A . 14 LYS CB 1 1 19 7751 1 1 14 LYS CD C -2.283 6.053 1.210 1.00 . A A . 14 LYS CD 1 1 19 7752 1 1 14 LYS CE C -2.652 7.484 1.545 1.00 . A A . 14 LYS CE 1 1 19 7753 1 1 14 LYS CG C -1.098 5.592 2.037 1.00 . A A . 14 LYS CG 1 1 19 7754 1 1 14 LYS H H -1.902 3.540 -0.528 1.00 . A A . 14 LYS H 1 1 19 7755 1 1 14 LYS HA H 0.497 4.984 0.045 1.00 . A A . 14 LYS HA 1 1 19 7756 1 1 14 LYS HB2 H -1.449 3.512 1.748 1.00 . A A . 14 LYS HB2 1 1 19 7757 1 1 14 LYS HB3 H 0.136 3.890 2.398 1.00 . A A . 14 LYS HB3 1 1 19 7758 1 1 14 LYS HD2 H -2.021 5.993 0.163 1.00 . A A . 14 LYS HD2 1 1 19 7759 1 1 14 LYS HD3 H -3.127 5.411 1.411 1.00 . A A . 14 LYS HD3 1 1 19 7760 1 1 14 LYS HE2 H -1.818 8.118 1.287 1.00 . A A . 14 LYS HE2 1 1 19 7761 1 1 14 LYS HE3 H -3.520 7.775 0.972 1.00 . A A . 14 LYS HE3 1 1 19 7762 1 1 14 LYS HG2 H -1.388 5.608 3.076 1.00 . A A . 14 LYS HG2 1 1 19 7763 1 1 14 LYS HG3 H -0.285 6.285 1.886 1.00 . A A . 14 LYS HG3 1 1 19 7764 1 1 14 LYS HZ1 H -3.214 8.642 3.156 1.00 . A A . 14 LYS HZ1 1 1 19 7765 1 1 14 LYS HZ2 H -2.086 7.465 3.540 1.00 . A A . 14 LYS HZ2 1 1 19 7766 1 1 14 LYS HZ3 H -3.693 7.033 3.326 1.00 . A A . 14 LYS HZ3 1 1 19 7767 1 1 14 LYS N N -1.024 3.906 -0.759 1.00 . A A . 14 LYS N 1 1 19 7768 1 1 14 LYS NZ N -2.939 7.658 2.976 1.00 . A A . 14 LYS NZ 1 1 19 7769 1 1 14 LYS O O 2.207 3.233 0.416 1.00 . A A . 14 LYS O 1 1 19 7770 1 1 15 ALA C C 2.472 0.741 -1.232 1.00 . A A . 15 ALA C 1 1 19 7771 1 1 15 ALA CA C 1.492 0.637 -0.093 1.00 . A A . 15 ALA CA 1 1 19 7772 1 1 15 ALA CB C 0.742 -0.676 -0.148 1.00 . A A . 15 ALA CB 1 1 19 7773 1 1 15 ALA H H -0.360 1.618 -0.244 1.00 . A A . 15 ALA H 1 1 19 7774 1 1 15 ALA HA H 2.055 0.663 0.827 1.00 . A A . 15 ALA HA 1 1 19 7775 1 1 15 ALA HB1 H 1.469 -1.475 -0.121 1.00 . A A . 15 ALA HB1 1 1 19 7776 1 1 15 ALA HB2 H 0.164 -0.726 -1.059 1.00 . A A . 15 ALA HB2 1 1 19 7777 1 1 15 ALA HB3 H 0.083 -0.759 0.705 1.00 . A A . 15 ALA HB3 1 1 19 7778 1 1 15 ALA N N 0.595 1.766 -0.060 1.00 . A A . 15 ALA N 1 1 19 7779 1 1 15 ALA O O 3.584 0.276 -1.126 1.00 . A A . 15 ALA O 1 1 19 7780 1 1 16 THR C C 4.014 2.621 -3.131 1.00 . A A . 16 THR C 1 1 19 7781 1 1 16 THR CA C 2.987 1.510 -3.411 1.00 . A A . 16 THR CA 1 1 19 7782 1 1 16 THR CB C 2.276 1.747 -4.745 1.00 . A A . 16 THR CB 1 1 19 7783 1 1 16 THR CG2 C 3.280 1.664 -5.885 1.00 . A A . 16 THR CG2 1 1 19 7784 1 1 16 THR H H 1.160 1.701 -2.360 1.00 . A A . 16 THR H 1 1 19 7785 1 1 16 THR HA H 3.537 0.582 -3.477 1.00 . A A . 16 THR HA 1 1 19 7786 1 1 16 THR HB H 1.817 2.724 -4.747 1.00 . A A . 16 THR HB 1 1 19 7787 1 1 16 THR HG1 H 1.226 0.184 -4.136 1.00 . A A . 16 THR HG1 1 1 19 7788 1 1 16 THR HG21 H 4.031 2.431 -5.752 1.00 . A A . 16 THR HG21 1 1 19 7789 1 1 16 THR HG22 H 2.785 1.787 -6.836 1.00 . A A . 16 THR HG22 1 1 19 7790 1 1 16 THR HG23 H 3.761 0.697 -5.844 1.00 . A A . 16 THR HG23 1 1 19 7791 1 1 16 THR N N 2.075 1.351 -2.314 1.00 . A A . 16 THR N 1 1 19 7792 1 1 16 THR O O 5.177 2.498 -3.484 1.00 . A A . 16 THR O 1 1 19 7793 1 1 16 THR OG1 O 1.298 0.717 -4.939 1.00 . A A . 16 THR OG1 1 1 19 7794 1 1 17 ILE C C 5.416 4.395 -0.987 1.00 . A A . 17 ILE C 1 1 19 7795 1 1 17 ILE CA C 4.544 4.749 -2.215 1.00 . A A . 17 ILE CA 1 1 19 7796 1 1 17 ILE CB C 3.889 6.179 -2.093 1.00 . A A . 17 ILE CB 1 1 19 7797 1 1 17 ILE CD1 C 4.409 8.668 -1.692 1.00 . A A . 17 ILE CD1 1 1 19 7798 1 1 17 ILE CG1 C 4.953 7.251 -1.791 1.00 . A A . 17 ILE CG1 1 1 19 7799 1 1 17 ILE CG2 C 2.762 6.219 -1.061 1.00 . A A . 17 ILE CG2 1 1 19 7800 1 1 17 ILE H H 2.645 3.794 -2.267 1.00 . A A . 17 ILE H 1 1 19 7801 1 1 17 ILE HA H 5.219 4.754 -3.059 1.00 . A A . 17 ILE HA 1 1 19 7802 1 1 17 ILE HB H 3.444 6.403 -3.053 1.00 . A A . 17 ILE HB 1 1 19 7803 1 1 17 ILE HD11 H 5.219 9.353 -1.489 1.00 . A A . 17 ILE HD11 1 1 19 7804 1 1 17 ILE HD12 H 3.684 8.727 -0.892 1.00 . A A . 17 ILE HD12 1 1 19 7805 1 1 17 ILE HD13 H 3.936 8.937 -2.626 1.00 . A A . 17 ILE HD13 1 1 19 7806 1 1 17 ILE HG12 H 5.422 7.012 -0.849 1.00 . A A . 17 ILE HG12 1 1 19 7807 1 1 17 ILE HG13 H 5.701 7.234 -2.569 1.00 . A A . 17 ILE HG13 1 1 19 7808 1 1 17 ILE HG21 H 3.150 5.941 -0.091 1.00 . A A . 17 ILE HG21 1 1 19 7809 1 1 17 ILE HG22 H 1.978 5.537 -1.352 1.00 . A A . 17 ILE HG22 1 1 19 7810 1 1 17 ILE HG23 H 2.357 7.218 -1.011 1.00 . A A . 17 ILE HG23 1 1 19 7811 1 1 17 ILE N N 3.591 3.706 -2.513 1.00 . A A . 17 ILE N 1 1 19 7812 1 1 17 ILE O O 6.636 4.391 -1.071 1.00 . A A . 17 ILE O 1 1 19 7813 1 1 18 PHE C C 5.999 2.346 1.418 1.00 . A A . 18 PHE C 1 1 19 7814 1 1 18 PHE CA C 5.482 3.779 1.367 1.00 . A A . 18 PHE CA 1 1 19 7815 1 1 18 PHE CB C 4.623 4.099 2.580 1.00 . A A . 18 PHE CB 1 1 19 7816 1 1 18 PHE CD1 C 5.118 6.532 2.630 1.00 . A A . 18 PHE CD1 1 1 19 7817 1 1 18 PHE CD2 C 2.841 5.845 2.639 1.00 . A A . 18 PHE CD2 1 1 19 7818 1 1 18 PHE CE1 C 4.726 7.848 2.657 1.00 . A A . 18 PHE CE1 1 1 19 7819 1 1 18 PHE CE2 C 2.436 7.163 2.670 1.00 . A A . 18 PHE CE2 1 1 19 7820 1 1 18 PHE CG C 4.184 5.520 2.619 1.00 . A A . 18 PHE CG 1 1 19 7821 1 1 18 PHE CZ C 3.385 8.168 2.678 1.00 . A A . 18 PHE CZ 1 1 19 7822 1 1 18 PHE H H 3.799 4.053 0.130 1.00 . A A . 18 PHE H 1 1 19 7823 1 1 18 PHE HA H 6.340 4.435 1.387 1.00 . A A . 18 PHE HA 1 1 19 7824 1 1 18 PHE HB2 H 3.734 3.488 2.528 1.00 . A A . 18 PHE HB2 1 1 19 7825 1 1 18 PHE HB3 H 5.173 3.885 3.484 1.00 . A A . 18 PHE HB3 1 1 19 7826 1 1 18 PHE HD1 H 6.166 6.270 2.611 1.00 . A A . 18 PHE HD1 1 1 19 7827 1 1 18 PHE HD2 H 2.109 5.050 2.630 1.00 . A A . 18 PHE HD2 1 1 19 7828 1 1 18 PHE HE1 H 5.473 8.627 2.668 1.00 . A A . 18 PHE HE1 1 1 19 7829 1 1 18 PHE HE2 H 1.386 7.411 2.687 1.00 . A A . 18 PHE HE2 1 1 19 7830 1 1 18 PHE HZ H 3.084 9.205 2.697 1.00 . A A . 18 PHE HZ 1 1 19 7831 1 1 18 PHE N N 4.783 4.099 0.132 1.00 . A A . 18 PHE N 1 1 19 7832 1 1 18 PHE O O 7.198 2.110 1.514 1.00 . A A . 18 PHE O 1 1 19 7833 1 1 19 GLY C C 6.386 -0.484 0.457 1.00 . A A . 19 GLY C 1 1 19 7834 1 1 19 GLY CA C 5.373 -0.018 1.462 1.00 . A A . 19 GLY CA 1 1 19 7835 1 1 19 GLY H H 4.123 1.669 1.304 1.00 . A A . 19 GLY H 1 1 19 7836 1 1 19 GLY HA2 H 5.734 -0.256 2.451 1.00 . A A . 19 GLY HA2 1 1 19 7837 1 1 19 GLY HA3 H 4.457 -0.562 1.284 1.00 . A A . 19 GLY HA3 1 1 19 7838 1 1 19 GLY N N 5.068 1.404 1.368 1.00 . A A . 19 GLY N 1 1 19 7839 1 1 19 GLY O O 7.320 -1.215 0.798 1.00 . A A . 19 GLY O 1 1 19 7840 1 1 20 LEU C C 8.478 0.184 -1.595 1.00 . A A . 20 LEU C 1 1 19 7841 1 1 20 LEU CA C 7.118 -0.456 -1.816 1.00 . A A . 20 LEU CA 1 1 19 7842 1 1 20 LEU CB C 6.604 -0.084 -3.183 1.00 . A A . 20 LEU CB 1 1 19 7843 1 1 20 LEU CD1 C 5.967 -2.267 -4.155 1.00 . A A . 20 LEU CD1 1 1 19 7844 1 1 20 LEU CD2 C 6.858 -0.453 -5.636 1.00 . A A . 20 LEU CD2 1 1 19 7845 1 1 20 LEU CG C 6.917 -1.089 -4.267 1.00 . A A . 20 LEU CG 1 1 19 7846 1 1 20 LEU H H 5.373 0.406 -0.995 1.00 . A A . 20 LEU H 1 1 19 7847 1 1 20 LEU HA H 7.244 -1.527 -1.776 1.00 . A A . 20 LEU HA 1 1 19 7848 1 1 20 LEU HB2 H 5.532 0.030 -3.116 1.00 . A A . 20 LEU HB2 1 1 19 7849 1 1 20 LEU HB3 H 7.032 0.866 -3.466 1.00 . A A . 20 LEU HB3 1 1 19 7850 1 1 20 LEU HD11 H 6.028 -2.691 -3.163 1.00 . A A . 20 LEU HD11 1 1 19 7851 1 1 20 LEU HD12 H 6.211 -3.018 -4.892 1.00 . A A . 20 LEU HD12 1 1 19 7852 1 1 20 LEU HD13 H 4.962 -1.902 -4.321 1.00 . A A . 20 LEU HD13 1 1 19 7853 1 1 20 LEU HD21 H 5.862 -0.073 -5.808 1.00 . A A . 20 LEU HD21 1 1 19 7854 1 1 20 LEU HD22 H 7.110 -1.195 -6.379 1.00 . A A . 20 LEU HD22 1 1 19 7855 1 1 20 LEU HD23 H 7.571 0.355 -5.679 1.00 . A A . 20 LEU HD23 1 1 19 7856 1 1 20 LEU HG H 7.916 -1.460 -4.094 1.00 . A A . 20 LEU HG 1 1 19 7857 1 1 20 LEU N N 6.201 -0.088 -0.778 1.00 . A A . 20 LEU N 1 1 19 7858 1 1 20 LEU O O 9.477 -0.411 -1.914 1.00 . A A . 20 LEU O 1 1 19 7859 1 1 21 ALA C C 10.537 1.264 0.355 1.00 . A A . 21 ALA C 1 1 19 7860 1 1 21 ALA CA C 9.777 2.051 -0.698 1.00 . A A . 21 ALA CA 1 1 19 7861 1 1 21 ALA CB C 9.555 3.477 -0.230 1.00 . A A . 21 ALA CB 1 1 19 7862 1 1 21 ALA H H 7.683 1.852 -0.763 1.00 . A A . 21 ALA H 1 1 19 7863 1 1 21 ALA HA H 10.375 2.066 -1.596 1.00 . A A . 21 ALA HA 1 1 19 7864 1 1 21 ALA HB1 H 8.975 3.467 0.681 1.00 . A A . 21 ALA HB1 1 1 19 7865 1 1 21 ALA HB2 H 9.023 4.031 -0.988 1.00 . A A . 21 ALA HB2 1 1 19 7866 1 1 21 ALA HB3 H 10.507 3.952 -0.041 1.00 . A A . 21 ALA HB3 1 1 19 7867 1 1 21 ALA N N 8.513 1.386 -1.002 1.00 . A A . 21 ALA N 1 1 19 7868 1 1 21 ALA O O 11.752 1.274 0.394 1.00 . A A . 21 ALA O 1 1 19 7869 1 1 22 ALA C C 11.023 -1.506 1.545 1.00 . A A . 22 ALA C 1 1 19 7870 1 1 22 ALA CA C 10.398 -0.285 2.196 1.00 . A A . 22 ALA CA 1 1 19 7871 1 1 22 ALA CB C 9.370 -0.701 3.232 1.00 . A A . 22 ALA CB 1 1 19 7872 1 1 22 ALA H H 8.829 0.635 1.120 1.00 . A A . 22 ALA H 1 1 19 7873 1 1 22 ALA HA H 11.179 0.277 2.686 1.00 . A A . 22 ALA HA 1 1 19 7874 1 1 22 ALA HB1 H 9.862 -1.302 3.982 1.00 . A A . 22 ALA HB1 1 1 19 7875 1 1 22 ALA HB2 H 8.593 -1.280 2.755 1.00 . A A . 22 ALA HB2 1 1 19 7876 1 1 22 ALA HB3 H 8.939 0.174 3.694 1.00 . A A . 22 ALA HB3 1 1 19 7877 1 1 22 ALA N N 9.805 0.568 1.190 1.00 . A A . 22 ALA N 1 1 19 7878 1 1 22 ALA O O 11.979 -2.063 2.041 1.00 . A A . 22 ALA O 1 1 19 7879 1 1 23 TRP C C 12.002 -2.754 -1.246 1.00 . A A . 23 TRP C 1 1 19 7880 1 1 23 TRP CA C 10.942 -3.095 -0.220 1.00 . A A . 23 TRP CA 1 1 19 7881 1 1 23 TRP CB C 9.796 -3.870 -0.836 1.00 . A A . 23 TRP CB 1 1 19 7882 1 1 23 TRP CD1 C 9.803 -6.393 -1.174 1.00 . A A . 23 TRP CD1 1 1 19 7883 1 1 23 TRP CD2 C 9.889 -5.740 0.962 1.00 . A A . 23 TRP CD2 1 1 19 7884 1 1 23 TRP CE2 C 9.902 -7.137 0.932 1.00 . A A . 23 TRP CE2 1 1 19 7885 1 1 23 TRP CE3 C 9.943 -5.087 2.200 1.00 . A A . 23 TRP CE3 1 1 19 7886 1 1 23 TRP CG C 9.808 -5.285 -0.394 1.00 . A A . 23 TRP CG 1 1 19 7887 1 1 23 TRP CH2 C 10.025 -7.226 3.286 1.00 . A A . 23 TRP CH2 1 1 19 7888 1 1 23 TRP CZ2 C 9.966 -7.897 2.090 1.00 . A A . 23 TRP CZ2 1 1 19 7889 1 1 23 TRP CZ3 C 10.012 -5.833 3.343 1.00 . A A . 23 TRP CZ3 1 1 19 7890 1 1 23 TRP H H 9.672 -1.447 0.117 1.00 . A A . 23 TRP H 1 1 19 7891 1 1 23 TRP HA H 11.405 -3.724 0.526 1.00 . A A . 23 TRP HA 1 1 19 7892 1 1 23 TRP HB2 H 8.858 -3.422 -0.543 1.00 . A A . 23 TRP HB2 1 1 19 7893 1 1 23 TRP HB3 H 9.892 -3.845 -1.912 1.00 . A A . 23 TRP HB3 1 1 19 7894 1 1 23 TRP HD1 H 9.756 -6.373 -2.253 1.00 . A A . 23 TRP HD1 1 1 19 7895 1 1 23 TRP HE1 H 9.842 -8.441 -0.723 1.00 . A A . 23 TRP HE1 1 1 19 7896 1 1 23 TRP HE3 H 9.938 -4.009 2.264 1.00 . A A . 23 TRP HE3 1 1 19 7897 1 1 23 TRP HH2 H 10.086 -7.770 4.216 1.00 . A A . 23 TRP HH2 1 1 19 7898 1 1 23 TRP HZ2 H 9.974 -8.976 2.062 1.00 . A A . 23 TRP HZ2 1 1 19 7899 1 1 23 TRP HZ3 H 10.059 -5.326 4.297 1.00 . A A . 23 TRP HZ3 1 1 19 7900 1 1 23 TRP N N 10.451 -1.933 0.460 1.00 . A A . 23 TRP N 1 1 19 7901 1 1 23 TRP NE1 N 9.843 -7.517 -0.385 1.00 . A A . 23 TRP NE1 1 1 19 7902 1 1 23 TRP O O 12.967 -3.459 -1.391 1.00 . A A . 23 TRP O 1 1 19 7903 1 1 24 ALA C C 13.905 -0.536 -2.329 1.00 . A A . 24 ALA C 1 1 19 7904 1 1 24 ALA CA C 12.734 -1.285 -2.971 1.00 . A A . 24 ALA CA 1 1 19 7905 1 1 24 ALA CB C 12.057 -0.422 -4.019 1.00 . A A . 24 ALA CB 1 1 19 7906 1 1 24 ALA H H 10.933 -1.227 -1.902 1.00 . A A . 24 ALA H 1 1 19 7907 1 1 24 ALA HA H 13.106 -2.170 -3.460 1.00 . A A . 24 ALA HA 1 1 19 7908 1 1 24 ALA HB1 H 11.673 0.464 -3.540 1.00 . A A . 24 ALA HB1 1 1 19 7909 1 1 24 ALA HB2 H 11.241 -0.966 -4.471 1.00 . A A . 24 ALA HB2 1 1 19 7910 1 1 24 ALA HB3 H 12.776 -0.139 -4.773 1.00 . A A . 24 ALA HB3 1 1 19 7911 1 1 24 ALA N N 11.779 -1.719 -1.995 1.00 . A A . 24 ALA N 1 1 19 7912 1 1 24 ALA O O 15.054 -0.934 -2.442 1.00 . A A . 24 ALA O 1 1 19 7913 1 1 25 LEU C C 15.171 1.057 0.215 1.00 . A A . 25 LEU C 1 1 19 7914 1 1 25 LEU CA C 14.572 1.476 -1.132 1.00 . A A . 25 LEU CA 1 1 19 7915 1 1 25 LEU CB C 13.981 2.884 -1.031 1.00 . A A . 25 LEU CB 1 1 19 7916 1 1 25 LEU CD1 C 12.956 4.914 -2.091 1.00 . A A . 25 LEU CD1 1 1 19 7917 1 1 25 LEU CD2 C 14.632 3.575 -3.369 1.00 . A A . 25 LEU CD2 1 1 19 7918 1 1 25 LEU CG C 13.511 3.525 -2.343 1.00 . A A . 25 LEU CG 1 1 19 7919 1 1 25 LEU H H 12.635 0.750 -1.521 1.00 . A A . 25 LEU H 1 1 19 7920 1 1 25 LEU HA H 15.384 1.524 -1.842 1.00 . A A . 25 LEU HA 1 1 19 7921 1 1 25 LEU HB2 H 13.115 2.818 -0.386 1.00 . A A . 25 LEU HB2 1 1 19 7922 1 1 25 LEU HB3 H 14.725 3.516 -0.571 1.00 . A A . 25 LEU HB3 1 1 19 7923 1 1 25 LEU HD11 H 12.129 4.845 -1.401 1.00 . A A . 25 LEU HD11 1 1 19 7924 1 1 25 LEU HD12 H 12.618 5.336 -3.026 1.00 . A A . 25 LEU HD12 1 1 19 7925 1 1 25 LEU HD13 H 13.727 5.542 -1.671 1.00 . A A . 25 LEU HD13 1 1 19 7926 1 1 25 LEU HD21 H 14.965 2.576 -3.604 1.00 . A A . 25 LEU HD21 1 1 19 7927 1 1 25 LEU HD22 H 15.461 4.143 -2.974 1.00 . A A . 25 LEU HD22 1 1 19 7928 1 1 25 LEU HD23 H 14.262 4.048 -4.268 1.00 . A A . 25 LEU HD23 1 1 19 7929 1 1 25 LEU HG H 12.707 2.926 -2.744 1.00 . A A . 25 LEU HG 1 1 19 7930 1 1 25 LEU N N 13.583 0.555 -1.672 1.00 . A A . 25 LEU N 1 1 19 7931 1 1 25 LEU O O 16.251 1.508 0.565 1.00 . A A . 25 LEU O 1 1 19 7932 1 1 26 LEU C C 15.535 -1.528 2.340 1.00 . A A . 26 LEU C 1 1 19 7933 1 1 26 LEU CA C 14.935 -0.123 2.318 1.00 . A A . 26 LEU CA 1 1 19 7934 1 1 26 LEU CB C 13.779 -0.002 3.325 1.00 . A A . 26 LEU CB 1 1 19 7935 1 1 26 LEU CD1 C 15.007 0.580 5.436 1.00 . A A . 26 LEU CD1 1 1 19 7936 1 1 26 LEU CD2 C 12.770 -0.572 5.554 1.00 . A A . 26 LEU CD2 1 1 19 7937 1 1 26 LEU CG C 14.063 -0.400 4.765 1.00 . A A . 26 LEU CG 1 1 19 7938 1 1 26 LEU H H 13.599 -0.088 0.680 1.00 . A A . 26 LEU H 1 1 19 7939 1 1 26 LEU HA H 15.708 0.571 2.595 1.00 . A A . 26 LEU HA 1 1 19 7940 1 1 26 LEU HB2 H 13.439 1.022 3.329 1.00 . A A . 26 LEU HB2 1 1 19 7941 1 1 26 LEU HB3 H 12.976 -0.623 2.957 1.00 . A A . 26 LEU HB3 1 1 19 7942 1 1 26 LEU HD11 H 15.196 0.259 6.450 1.00 . A A . 26 LEU HD11 1 1 19 7943 1 1 26 LEU HD12 H 14.559 1.563 5.440 1.00 . A A . 26 LEU HD12 1 1 19 7944 1 1 26 LEU HD13 H 15.937 0.610 4.888 1.00 . A A . 26 LEU HD13 1 1 19 7945 1 1 26 LEU HD21 H 12.180 -1.363 5.113 1.00 . A A . 26 LEU HD21 1 1 19 7946 1 1 26 LEU HD22 H 12.207 0.349 5.530 1.00 . A A . 26 LEU HD22 1 1 19 7947 1 1 26 LEU HD23 H 13.008 -0.829 6.575 1.00 . A A . 26 LEU HD23 1 1 19 7948 1 1 26 LEU HG H 14.556 -1.358 4.712 1.00 . A A . 26 LEU HG 1 1 19 7949 1 1 26 LEU N N 14.465 0.255 0.985 1.00 . A A . 26 LEU N 1 1 19 7950 1 1 26 LEU O O 16.278 -1.891 3.261 1.00 . A A . 26 LEU O 1 1 19 7951 1 1 27 ALA C C 16.737 -3.825 0.175 1.00 . A A . 27 ALA C 1 1 19 7952 1 1 27 ALA CA C 15.688 -3.659 1.266 1.00 . A A . 27 ALA CA 1 1 19 7953 1 1 27 ALA CB C 14.514 -4.611 1.060 1.00 . A A . 27 ALA CB 1 1 19 7954 1 1 27 ALA H H 14.685 -1.891 0.630 1.00 . A A . 27 ALA H 1 1 19 7955 1 1 27 ALA HA H 16.154 -3.895 2.212 1.00 . A A . 27 ALA HA 1 1 19 7956 1 1 27 ALA HB1 H 14.073 -4.417 0.093 1.00 . A A . 27 ALA HB1 1 1 19 7957 1 1 27 ALA HB2 H 13.769 -4.449 1.825 1.00 . A A . 27 ALA HB2 1 1 19 7958 1 1 27 ALA HB3 H 14.857 -5.634 1.102 1.00 . A A . 27 ALA HB3 1 1 19 7959 1 1 27 ALA N N 15.223 -2.287 1.343 1.00 . A A . 27 ALA N 1 1 19 7960 1 1 27 ALA O O 17.925 -3.609 0.465 1.00 . A A . 27 ALA O 1 1 19 7961 1 1 27 ALA OXT O 16.382 -4.168 -0.960 1.00 . A A . 27 ALA OXT 1 1 20 7962 1 1 1 ARG C C 15.942 -8.258 -1.774 1.00 . A A . 1 ARG C 1 1 20 7963 1 1 1 ARG CA C 17.220 -8.391 -1.006 1.00 . A A . 1 ARG CA 1 1 20 7964 1 1 1 ARG CB C 18.180 -7.295 -1.430 1.00 . A A . 1 ARG CB 1 1 20 7965 1 1 1 ARG CD C 20.498 -6.377 -1.413 1.00 . A A . 1 ARG CD 1 1 20 7966 1 1 1 ARG CG C 19.568 -7.406 -0.817 1.00 . A A . 1 ARG CG 1 1 20 7967 1 1 1 ARG CZ C 20.896 -5.468 -3.695 1.00 . A A . 1 ARG CZ 1 1 20 7968 1 1 1 ARG H1 H 18.650 -9.880 -0.781 1.00 . A A . 1 ARG H1 1 1 20 7969 1 1 1 ARG H2 H 17.978 -9.767 -2.340 1.00 . A A . 1 ARG H2 1 1 20 7970 1 1 1 ARG H3 H 17.086 -10.428 -1.102 1.00 . A A . 1 ARG H3 1 1 20 7971 1 1 1 ARG HA H 17.023 -8.327 0.053 1.00 . A A . 1 ARG HA 1 1 20 7972 1 1 1 ARG HB2 H 18.283 -7.331 -2.505 1.00 . A A . 1 ARG HB2 1 1 20 7973 1 1 1 ARG HB3 H 17.756 -6.341 -1.155 1.00 . A A . 1 ARG HB3 1 1 20 7974 1 1 1 ARG HD2 H 20.152 -5.390 -1.150 1.00 . A A . 1 ARG HD2 1 1 20 7975 1 1 1 ARG HD3 H 21.488 -6.536 -1.012 1.00 . A A . 1 ARG HD3 1 1 20 7976 1 1 1 ARG HE H 20.329 -7.365 -3.240 1.00 . A A . 1 ARG HE 1 1 20 7977 1 1 1 ARG HG2 H 19.492 -7.239 0.247 1.00 . A A . 1 ARG HG2 1 1 20 7978 1 1 1 ARG HG3 H 19.967 -8.394 -0.991 1.00 . A A . 1 ARG HG3 1 1 20 7979 1 1 1 ARG HH11 H 21.296 -4.137 -2.191 1.00 . A A . 1 ARG HH11 1 1 20 7980 1 1 1 ARG HH12 H 21.496 -3.495 -3.742 1.00 . A A . 1 ARG HH12 1 1 20 7981 1 1 1 ARG HH21 H 20.631 -6.506 -5.447 1.00 . A A . 1 ARG HH21 1 1 20 7982 1 1 1 ARG HH22 H 21.127 -4.893 -5.631 1.00 . A A . 1 ARG HH22 1 1 20 7983 1 1 1 ARG N N 17.785 -9.692 -1.320 1.00 . A A . 1 ARG N 1 1 20 7984 1 1 1 ARG NE N 20.568 -6.477 -2.884 1.00 . A A . 1 ARG NE 1 1 20 7985 1 1 1 ARG NH1 N 21.257 -4.295 -3.182 1.00 . A A . 1 ARG NH1 1 1 20 7986 1 1 1 ARG NH2 N 20.885 -5.638 -5.003 1.00 . A A . 1 ARG NH2 1 1 20 7987 1 1 1 ARG O O 15.753 -8.970 -2.752 1.00 . A A . 1 ARG O 1 1 20 7988 1 1 2 ASN C C 13.044 -5.976 -1.471 1.00 . A A . 2 ASN C 1 1 20 7989 1 1 2 ASN CA C 13.765 -7.180 -2.028 1.00 . A A . 2 ASN CA 1 1 20 7990 1 1 2 ASN CB C 12.870 -8.419 -1.822 1.00 . A A . 2 ASN CB 1 1 20 7991 1 1 2 ASN CG C 11.547 -8.377 -2.593 1.00 . A A . 2 ASN CG 1 1 20 7992 1 1 2 ASN H H 15.309 -6.782 -0.599 1.00 . A A . 2 ASN H 1 1 20 7993 1 1 2 ASN HA H 13.935 -7.037 -3.080 1.00 . A A . 2 ASN HA 1 1 20 7994 1 1 2 ASN HB2 H 13.415 -9.292 -2.149 1.00 . A A . 2 ASN HB2 1 1 20 7995 1 1 2 ASN HB3 H 12.652 -8.522 -0.769 1.00 . A A . 2 ASN HB3 1 1 20 7996 1 1 2 ASN HD21 H 12.416 -7.607 -4.207 1.00 . A A . 2 ASN HD21 1 1 20 7997 1 1 2 ASN HD22 H 10.718 -7.903 -4.308 1.00 . A A . 2 ASN HD22 1 1 20 7998 1 1 2 ASN N N 15.069 -7.357 -1.359 1.00 . A A . 2 ASN N 1 1 20 7999 1 1 2 ASN ND2 N 11.568 -7.914 -3.816 1.00 . A A . 2 ASN ND2 1 1 20 8000 1 1 2 ASN O O 12.374 -5.242 -2.187 1.00 . A A . 2 ASN O 1 1 20 8001 1 1 2 ASN OD1 O 10.525 -8.839 -2.100 1.00 . A A . 2 ASN OD1 1 1 20 8002 1 1 3 LYS C C 13.313 -3.395 0.388 1.00 . A A . 3 LYS C 1 1 20 8003 1 1 3 LYS CA C 12.524 -4.711 0.484 1.00 . A A . 3 LYS CA 1 1 20 8004 1 1 3 LYS CB C 12.346 -5.087 1.954 1.00 . A A . 3 LYS CB 1 1 20 8005 1 1 3 LYS CD C 11.759 -4.134 4.218 1.00 . A A . 3 LYS CD 1 1 20 8006 1 1 3 LYS CE C 13.133 -3.509 4.447 1.00 . A A . 3 LYS CE 1 1 20 8007 1 1 3 LYS CG C 11.426 -4.153 2.742 1.00 . A A . 3 LYS CG 1 1 20 8008 1 1 3 LYS H H 13.839 -6.327 0.299 1.00 . A A . 3 LYS H 1 1 20 8009 1 1 3 LYS HA H 11.546 -4.581 0.046 1.00 . A A . 3 LYS HA 1 1 20 8010 1 1 3 LYS HB2 H 11.926 -6.083 1.987 1.00 . A A . 3 LYS HB2 1 1 20 8011 1 1 3 LYS HB3 H 13.318 -5.108 2.419 1.00 . A A . 3 LYS HB3 1 1 20 8012 1 1 3 LYS HD2 H 11.010 -3.552 4.735 1.00 . A A . 3 LYS HD2 1 1 20 8013 1 1 3 LYS HD3 H 11.758 -5.145 4.594 1.00 . A A . 3 LYS HD3 1 1 20 8014 1 1 3 LYS HE2 H 13.888 -4.117 3.973 1.00 . A A . 3 LYS HE2 1 1 20 8015 1 1 3 LYS HE3 H 13.147 -2.522 4.005 1.00 . A A . 3 LYS HE3 1 1 20 8016 1 1 3 LYS HG2 H 11.523 -3.152 2.350 1.00 . A A . 3 LYS HG2 1 1 20 8017 1 1 3 LYS HG3 H 10.407 -4.490 2.616 1.00 . A A . 3 LYS HG3 1 1 20 8018 1 1 3 LYS HZ1 H 12.805 -2.805 6.389 1.00 . A A . 3 LYS HZ1 1 1 20 8019 1 1 3 LYS HZ2 H 14.421 -3.023 5.990 1.00 . A A . 3 LYS HZ2 1 1 20 8020 1 1 3 LYS HZ3 H 13.451 -4.358 6.302 1.00 . A A . 3 LYS HZ3 1 1 20 8021 1 1 3 LYS N N 13.213 -5.766 -0.202 1.00 . A A . 3 LYS N 1 1 20 8022 1 1 3 LYS NZ N 13.467 -3.413 5.866 1.00 . A A . 3 LYS NZ 1 1 20 8023 1 1 3 LYS O O 14.521 -3.390 0.144 1.00 . A A . 3 LYS O 1 1 20 8024 1 1 4 LEU C C 12.042 -0.155 1.260 1.00 . A A . 4 LEU C 1 1 20 8025 1 1 4 LEU CA C 13.130 -0.976 0.618 1.00 . A A . 4 LEU CA 1 1 20 8026 1 1 4 LEU CB C 13.420 -0.472 -0.805 1.00 . A A . 4 LEU CB 1 1 20 8027 1 1 4 LEU CD1 C 15.389 1.052 -0.449 1.00 . A A . 4 LEU CD1 1 1 20 8028 1 1 4 LEU CD2 C 13.910 1.390 -2.420 1.00 . A A . 4 LEU CD2 1 1 20 8029 1 1 4 LEU CG C 13.977 0.953 -0.969 1.00 . A A . 4 LEU CG 1 1 20 8030 1 1 4 LEU H H 11.640 -2.389 0.696 1.00 . A A . 4 LEU H 1 1 20 8031 1 1 4 LEU HA H 14.014 -0.928 1.235 1.00 . A A . 4 LEU HA 1 1 20 8032 1 1 4 LEU HB2 H 14.158 -1.151 -1.201 1.00 . A A . 4 LEU HB2 1 1 20 8033 1 1 4 LEU HB3 H 12.517 -0.566 -1.390 1.00 . A A . 4 LEU HB3 1 1 20 8034 1 1 4 LEU HD11 H 15.711 2.081 -0.497 1.00 . A A . 4 LEU HD11 1 1 20 8035 1 1 4 LEU HD12 H 16.032 0.452 -1.075 1.00 . A A . 4 LEU HD12 1 1 20 8036 1 1 4 LEU HD13 H 15.442 0.698 0.567 1.00 . A A . 4 LEU HD13 1 1 20 8037 1 1 4 LEU HD21 H 12.885 1.377 -2.761 1.00 . A A . 4 LEU HD21 1 1 20 8038 1 1 4 LEU HD22 H 14.496 0.711 -3.021 1.00 . A A . 4 LEU HD22 1 1 20 8039 1 1 4 LEU HD23 H 14.310 2.388 -2.517 1.00 . A A . 4 LEU HD23 1 1 20 8040 1 1 4 LEU HG H 13.373 1.633 -0.387 1.00 . A A . 4 LEU HG 1 1 20 8041 1 1 4 LEU N N 12.608 -2.314 0.574 1.00 . A A . 4 LEU N 1 1 20 8042 1 1 4 LEU O O 10.899 -0.651 1.386 1.00 . A A . 4 LEU O 1 1 20 8043 1 1 5 ALA C C 10.231 2.220 1.397 1.00 . A A . 5 ALA C 1 1 20 8044 1 1 5 ALA CA C 11.433 1.961 2.290 1.00 . A A . 5 ALA CA 1 1 20 8045 1 1 5 ALA CB C 12.136 3.251 2.656 1.00 . A A . 5 ALA CB 1 1 20 8046 1 1 5 ALA H H 13.310 1.326 1.607 1.00 . A A . 5 ALA H 1 1 20 8047 1 1 5 ALA HA H 11.079 1.502 3.196 1.00 . A A . 5 ALA HA 1 1 20 8048 1 1 5 ALA HB1 H 12.446 3.758 1.755 1.00 . A A . 5 ALA HB1 1 1 20 8049 1 1 5 ALA HB2 H 13.010 3.002 3.240 1.00 . A A . 5 ALA HB2 1 1 20 8050 1 1 5 ALA HB3 H 11.479 3.886 3.233 1.00 . A A . 5 ALA HB3 1 1 20 8051 1 1 5 ALA N N 12.370 1.044 1.674 1.00 . A A . 5 ALA N 1 1 20 8052 1 1 5 ALA O O 9.103 2.266 1.865 1.00 . A A . 5 ALA O 1 1 20 8053 1 1 6 TYR C C 8.593 1.294 -1.075 1.00 . A A . 6 TYR C 1 1 20 8054 1 1 6 TYR CA C 9.410 2.544 -0.848 1.00 . A A . 6 TYR CA 1 1 20 8055 1 1 6 TYR CB C 9.931 3.071 -2.178 1.00 . A A . 6 TYR CB 1 1 20 8056 1 1 6 TYR CD1 C 9.645 5.557 -2.261 1.00 . A A . 6 TYR CD1 1 1 20 8057 1 1 6 TYR CD2 C 11.835 4.694 -1.922 1.00 . A A . 6 TYR CD2 1 1 20 8058 1 1 6 TYR CE1 C 10.138 6.838 -2.215 1.00 . A A . 6 TYR CE1 1 1 20 8059 1 1 6 TYR CE2 C 12.332 5.971 -1.871 1.00 . A A . 6 TYR CE2 1 1 20 8060 1 1 6 TYR CG C 10.483 4.465 -2.113 1.00 . A A . 6 TYR CG 1 1 20 8061 1 1 6 TYR CZ C 11.487 7.037 -2.022 1.00 . A A . 6 TYR CZ 1 1 20 8062 1 1 6 TYR H H 11.416 2.273 -0.154 1.00 . A A . 6 TYR H 1 1 20 8063 1 1 6 TYR HA H 8.767 3.293 -0.417 1.00 . A A . 6 TYR HA 1 1 20 8064 1 1 6 TYR HB2 H 10.704 2.417 -2.545 1.00 . A A . 6 TYR HB2 1 1 20 8065 1 1 6 TYR HB3 H 9.115 3.071 -2.886 1.00 . A A . 6 TYR HB3 1 1 20 8066 1 1 6 TYR HD1 H 8.589 5.384 -2.408 1.00 . A A . 6 TYR HD1 1 1 20 8067 1 1 6 TYR HD2 H 12.496 3.849 -1.803 1.00 . A A . 6 TYR HD2 1 1 20 8068 1 1 6 TYR HE1 H 9.466 7.675 -2.334 1.00 . A A . 6 TYR HE1 1 1 20 8069 1 1 6 TYR HE2 H 13.386 6.136 -1.718 1.00 . A A . 6 TYR HE2 1 1 20 8070 1 1 6 TYR HH H 12.815 8.318 -2.492 1.00 . A A . 6 TYR HH 1 1 20 8071 1 1 6 TYR N N 10.477 2.325 0.117 1.00 . A A . 6 TYR N 1 1 20 8072 1 1 6 TYR O O 7.410 1.366 -1.343 1.00 . A A . 6 TYR O 1 1 20 8073 1 1 6 TYR OH O 11.992 8.308 -1.984 1.00 . A A . 6 TYR OH 1 1 20 8074 1 1 7 ASN C C 7.547 -1.370 -0.050 1.00 . A A . 7 ASN C 1 1 20 8075 1 1 7 ASN CA C 8.536 -1.101 -1.145 1.00 . A A . 7 ASN CA 1 1 20 8076 1 1 7 ASN CB C 9.529 -2.267 -1.297 1.00 . A A . 7 ASN CB 1 1 20 8077 1 1 7 ASN CG C 10.295 -2.203 -2.603 1.00 . A A . 7 ASN CG 1 1 20 8078 1 1 7 ASN H H 10.148 0.183 -0.637 1.00 . A A . 7 ASN H 1 1 20 8079 1 1 7 ASN HA H 7.983 -1.000 -2.066 1.00 . A A . 7 ASN HA 1 1 20 8080 1 1 7 ASN HB2 H 10.243 -2.229 -0.487 1.00 . A A . 7 ASN HB2 1 1 20 8081 1 1 7 ASN HB3 H 8.988 -3.198 -1.248 1.00 . A A . 7 ASN HB3 1 1 20 8082 1 1 7 ASN HD21 H 9.051 -3.480 -3.456 1.00 . A A . 7 ASN HD21 1 1 20 8083 1 1 7 ASN HD22 H 10.315 -2.859 -4.456 1.00 . A A . 7 ASN HD22 1 1 20 8084 1 1 7 ASN N N 9.214 0.163 -0.925 1.00 . A A . 7 ASN N 1 1 20 8085 1 1 7 ASN ND2 N 9.846 -2.919 -3.596 1.00 . A A . 7 ASN ND2 1 1 20 8086 1 1 7 ASN O O 6.369 -1.531 -0.304 1.00 . A A . 7 ASN O 1 1 20 8087 1 1 7 ASN OD1 O 11.316 -1.540 -2.698 1.00 . A A . 7 ASN OD1 1 1 20 8088 1 1 8 MET C C 6.401 -0.405 2.725 1.00 . A A . 8 MET C 1 1 20 8089 1 1 8 MET CA C 7.128 -1.676 2.273 1.00 . A A . 8 MET CA 1 1 20 8090 1 1 8 MET CB C 7.804 -2.409 3.427 1.00 . A A . 8 MET CB 1 1 20 8091 1 1 8 MET CE C 5.728 -4.773 3.221 1.00 . A A . 8 MET CE 1 1 20 8092 1 1 8 MET CG C 6.891 -2.648 4.642 1.00 . A A . 8 MET CG 1 1 20 8093 1 1 8 MET H H 8.991 -1.352 1.287 1.00 . A A . 8 MET H 1 1 20 8094 1 1 8 MET HA H 6.360 -2.323 1.871 1.00 . A A . 8 MET HA 1 1 20 8095 1 1 8 MET HB2 H 8.154 -3.367 3.071 1.00 . A A . 8 MET HB2 1 1 20 8096 1 1 8 MET HB3 H 8.655 -1.830 3.753 1.00 . A A . 8 MET HB3 1 1 20 8097 1 1 8 MET HE1 H 6.259 -4.421 2.348 1.00 . A A . 8 MET HE1 1 1 20 8098 1 1 8 MET HE2 H 4.836 -5.298 2.914 1.00 . A A . 8 MET HE2 1 1 20 8099 1 1 8 MET HE3 H 6.363 -5.430 3.796 1.00 . A A . 8 MET HE3 1 1 20 8100 1 1 8 MET HG2 H 7.394 -3.319 5.320 1.00 . A A . 8 MET HG2 1 1 20 8101 1 1 8 MET HG3 H 6.736 -1.700 5.132 1.00 . A A . 8 MET HG3 1 1 20 8102 1 1 8 MET N N 8.024 -1.461 1.157 1.00 . A A . 8 MET N 1 1 20 8103 1 1 8 MET O O 5.193 -0.303 2.603 1.00 . A A . 8 MET O 1 1 20 8104 1 1 8 MET SD S 5.268 -3.358 4.215 1.00 . A A . 8 MET SD 1 1 20 8105 1 1 9 GLY C C 5.772 2.628 2.856 1.00 . A A . 9 GLY C 1 1 20 8106 1 1 9 GLY CA C 6.621 1.781 3.778 1.00 . A A . 9 GLY CA 1 1 20 8107 1 1 9 GLY H H 8.144 0.520 3.040 1.00 . A A . 9 GLY H 1 1 20 8108 1 1 9 GLY HA2 H 6.015 1.474 4.617 1.00 . A A . 9 GLY HA2 1 1 20 8109 1 1 9 GLY HA3 H 7.438 2.381 4.150 1.00 . A A . 9 GLY HA3 1 1 20 8110 1 1 9 GLY N N 7.174 0.581 3.159 1.00 . A A . 9 GLY N 1 1 20 8111 1 1 9 GLY O O 4.663 3.027 3.224 1.00 . A A . 9 GLY O 1 1 20 8112 1 1 10 HIS C C 4.287 3.024 0.247 1.00 . A A . 10 HIS C 1 1 20 8113 1 1 10 HIS CA C 5.545 3.736 0.718 1.00 . A A . 10 HIS CA 1 1 20 8114 1 1 10 HIS CB C 6.433 4.141 -0.459 1.00 . A A . 10 HIS CB 1 1 20 8115 1 1 10 HIS CD2 C 5.395 5.058 -2.618 1.00 . A A . 10 HIS CD2 1 1 20 8116 1 1 10 HIS CE1 C 4.948 7.046 -1.910 1.00 . A A . 10 HIS CE1 1 1 20 8117 1 1 10 HIS CG C 5.819 5.149 -1.342 1.00 . A A . 10 HIS CG 1 1 20 8118 1 1 10 HIS H H 7.158 2.531 1.432 1.00 . A A . 10 HIS H 1 1 20 8119 1 1 10 HIS HA H 5.222 4.637 1.227 1.00 . A A . 10 HIS HA 1 1 20 8120 1 1 10 HIS HB2 H 7.343 4.579 -0.081 1.00 . A A . 10 HIS HB2 1 1 20 8121 1 1 10 HIS HB3 H 6.663 3.274 -1.059 1.00 . A A . 10 HIS HB3 1 1 20 8122 1 1 10 HIS HD1 H 5.704 6.808 -0.046 1.00 . A A . 10 HIS HD1 1 1 20 8123 1 1 10 HIS HD2 H 5.501 4.188 -3.250 1.00 . A A . 10 HIS HD2 1 1 20 8124 1 1 10 HIS HE1 H 4.595 8.055 -1.798 1.00 . A A . 10 HIS HE1 1 1 20 8125 1 1 10 HIS N N 6.275 2.901 1.663 1.00 . A A . 10 HIS N 1 1 20 8126 1 1 10 HIS ND1 N 5.529 6.413 -0.930 1.00 . A A . 10 HIS ND1 1 1 20 8127 1 1 10 HIS NE2 N 4.830 6.276 -2.985 1.00 . A A . 10 HIS NE2 1 1 20 8128 1 1 10 HIS O O 3.205 3.616 0.198 1.00 . A A . 10 HIS O 1 1 20 8129 1 1 11 TYR C C 2.275 0.760 0.623 1.00 . A A . 11 TYR C 1 1 20 8130 1 1 11 TYR CA C 3.269 0.968 -0.469 1.00 . A A . 11 TYR CA 1 1 20 8131 1 1 11 TYR CB C 3.634 -0.352 -1.091 1.00 . A A . 11 TYR CB 1 1 20 8132 1 1 11 TYR CD1 C 2.930 -0.251 -3.463 1.00 . A A . 11 TYR CD1 1 1 20 8133 1 1 11 TYR CD2 C 5.249 -0.207 -2.990 1.00 . A A . 11 TYR CD2 1 1 20 8134 1 1 11 TYR CE1 C 3.178 -0.180 -4.803 1.00 . A A . 11 TYR CE1 1 1 20 8135 1 1 11 TYR CE2 C 5.525 -0.133 -4.342 1.00 . A A . 11 TYR CE2 1 1 20 8136 1 1 11 TYR CG C 3.953 -0.266 -2.540 1.00 . A A . 11 TYR CG 1 1 20 8137 1 1 11 TYR CZ C 4.478 -0.117 -5.250 1.00 . A A . 11 TYR CZ 1 1 20 8138 1 1 11 TYR H H 5.295 1.322 -0.002 1.00 . A A . 11 TYR H 1 1 20 8139 1 1 11 TYR HA H 2.778 1.562 -1.227 1.00 . A A . 11 TYR HA 1 1 20 8140 1 1 11 TYR HB2 H 4.493 -0.762 -0.582 1.00 . A A . 11 TYR HB2 1 1 20 8141 1 1 11 TYR HB3 H 2.799 -1.027 -0.971 1.00 . A A . 11 TYR HB3 1 1 20 8142 1 1 11 TYR HD1 H 1.915 -0.297 -3.100 1.00 . A A . 11 TYR HD1 1 1 20 8143 1 1 11 TYR HD2 H 6.045 -0.226 -2.257 1.00 . A A . 11 TYR HD2 1 1 20 8144 1 1 11 TYR HE1 H 2.343 -0.175 -5.487 1.00 . A A . 11 TYR HE1 1 1 20 8145 1 1 11 TYR HE2 H 6.547 -0.079 -4.684 1.00 . A A . 11 TYR HE2 1 1 20 8146 1 1 11 TYR HH H 5.388 -0.730 -6.814 1.00 . A A . 11 TYR HH 1 1 20 8147 1 1 11 TYR N N 4.413 1.747 -0.053 1.00 . A A . 11 TYR N 1 1 20 8148 1 1 11 TYR O O 1.113 0.607 0.342 1.00 . A A . 11 TYR O 1 1 20 8149 1 1 11 TYR OH O 4.734 -0.051 -6.606 1.00 . A A . 11 TYR OH 1 1 20 8150 1 1 12 ALA C C 0.746 1.637 2.995 1.00 . A A . 12 ALA C 1 1 20 8151 1 1 12 ALA CA C 1.828 0.567 3.002 1.00 . A A . 12 ALA CA 1 1 20 8152 1 1 12 ALA CB C 2.595 0.587 4.313 1.00 . A A . 12 ALA CB 1 1 20 8153 1 1 12 ALA H H 3.691 0.817 2.033 1.00 . A A . 12 ALA H 1 1 20 8154 1 1 12 ALA HA H 1.356 -0.398 2.891 1.00 . A A . 12 ALA HA 1 1 20 8155 1 1 12 ALA HB1 H 1.916 0.383 5.129 1.00 . A A . 12 ALA HB1 1 1 20 8156 1 1 12 ALA HB2 H 3.045 1.559 4.452 1.00 . A A . 12 ALA HB2 1 1 20 8157 1 1 12 ALA HB3 H 3.366 -0.169 4.289 1.00 . A A . 12 ALA HB3 1 1 20 8158 1 1 12 ALA N N 2.725 0.741 1.865 1.00 . A A . 12 ALA N 1 1 20 8159 1 1 12 ALA O O -0.419 1.360 3.286 1.00 . A A . 12 ALA O 1 1 20 8160 1 1 13 GLY C C -0.790 3.714 1.355 1.00 . A A . 13 GLY C 1 1 20 8161 1 1 13 GLY CA C 0.173 3.919 2.516 1.00 . A A . 13 GLY CA 1 1 20 8162 1 1 13 GLY H H 2.069 2.985 2.380 1.00 . A A . 13 GLY H 1 1 20 8163 1 1 13 GLY HA2 H -0.388 3.974 3.437 1.00 . A A . 13 GLY HA2 1 1 20 8164 1 1 13 GLY HA3 H 0.701 4.848 2.370 1.00 . A A . 13 GLY HA3 1 1 20 8165 1 1 13 GLY N N 1.123 2.843 2.609 1.00 . A A . 13 GLY N 1 1 20 8166 1 1 13 GLY O O -2.013 3.836 1.518 1.00 . A A . 13 GLY O 1 1 20 8167 1 1 14 LYS C C -1.949 1.922 -0.902 1.00 . A A . 14 LYS C 1 1 20 8168 1 1 14 LYS CA C -1.069 3.153 -1.003 1.00 . A A . 14 LYS CA 1 1 20 8169 1 1 14 LYS CB C -0.239 3.149 -2.309 1.00 . A A . 14 LYS CB 1 1 20 8170 1 1 14 LYS CD C 1.215 5.183 -1.847 1.00 . A A . 14 LYS CD 1 1 20 8171 1 1 14 LYS CE C 1.439 6.651 -2.175 1.00 . A A . 14 LYS CE 1 1 20 8172 1 1 14 LYS CG C 0.203 4.538 -2.783 1.00 . A A . 14 LYS CG 1 1 20 8173 1 1 14 LYS H H 0.716 3.191 0.163 1.00 . A A . 14 LYS H 1 1 20 8174 1 1 14 LYS HA H -1.732 4.005 -1.031 1.00 . A A . 14 LYS HA 1 1 20 8175 1 1 14 LYS HB2 H 0.648 2.555 -2.143 1.00 . A A . 14 LYS HB2 1 1 20 8176 1 1 14 LYS HB3 H -0.825 2.690 -3.090 1.00 . A A . 14 LYS HB3 1 1 20 8177 1 1 14 LYS HD2 H 0.847 5.100 -0.836 1.00 . A A . 14 LYS HD2 1 1 20 8178 1 1 14 LYS HD3 H 2.154 4.656 -1.929 1.00 . A A . 14 LYS HD3 1 1 20 8179 1 1 14 LYS HE2 H 0.504 7.179 -2.071 1.00 . A A . 14 LYS HE2 1 1 20 8180 1 1 14 LYS HE3 H 2.152 7.057 -1.473 1.00 . A A . 14 LYS HE3 1 1 20 8181 1 1 14 LYS HG2 H 0.649 4.441 -3.762 1.00 . A A . 14 LYS HG2 1 1 20 8182 1 1 14 LYS HG3 H -0.670 5.172 -2.856 1.00 . A A . 14 LYS HG3 1 1 20 8183 1 1 14 LYS HZ1 H 2.852 6.384 -3.701 1.00 . A A . 14 LYS HZ1 1 1 20 8184 1 1 14 LYS HZ2 H 2.086 7.886 -3.690 1.00 . A A . 14 LYS HZ2 1 1 20 8185 1 1 14 LYS HZ3 H 1.253 6.554 -4.258 1.00 . A A . 14 LYS HZ3 1 1 20 8186 1 1 14 LYS N N -0.252 3.348 0.199 1.00 . A A . 14 LYS N 1 1 20 8187 1 1 14 LYS NZ N 1.945 6.866 -3.545 1.00 . A A . 14 LYS NZ 1 1 20 8188 1 1 14 LYS O O -3.073 1.907 -1.400 1.00 . A A . 14 LYS O 1 1 20 8189 1 1 15 ALA C C -3.366 -0.066 0.923 1.00 . A A . 15 ALA C 1 1 20 8190 1 1 15 ALA CA C -2.202 -0.294 -0.025 1.00 . A A . 15 ALA CA 1 1 20 8191 1 1 15 ALA CB C -1.299 -1.406 0.473 1.00 . A A . 15 ALA CB 1 1 20 8192 1 1 15 ALA H H -0.545 0.973 0.124 1.00 . A A . 15 ALA H 1 1 20 8193 1 1 15 ALA HA H -2.595 -0.582 -0.989 1.00 . A A . 15 ALA HA 1 1 20 8194 1 1 15 ALA HB1 H -0.869 -1.122 1.423 1.00 . A A . 15 ALA HB1 1 1 20 8195 1 1 15 ALA HB2 H -0.514 -1.583 -0.249 1.00 . A A . 15 ALA HB2 1 1 20 8196 1 1 15 ALA HB3 H -1.896 -2.297 0.596 1.00 . A A . 15 ALA HB3 1 1 20 8197 1 1 15 ALA N N -1.463 0.918 -0.223 1.00 . A A . 15 ALA N 1 1 20 8198 1 1 15 ALA O O -4.374 -0.715 0.822 1.00 . A A . 15 ALA O 1 1 20 8199 1 1 16 THR C C -5.411 1.972 1.947 1.00 . A A . 16 THR C 1 1 20 8200 1 1 16 THR CA C -4.316 1.198 2.707 1.00 . A A . 16 THR CA 1 1 20 8201 1 1 16 THR CB C -3.846 2.002 3.938 1.00 . A A . 16 THR CB 1 1 20 8202 1 1 16 THR CG2 C -4.971 2.103 4.959 1.00 . A A . 16 THR CG2 1 1 20 8203 1 1 16 THR H H -2.399 1.383 1.862 1.00 . A A . 16 THR H 1 1 20 8204 1 1 16 THR HA H -4.735 0.259 3.035 1.00 . A A . 16 THR HA 1 1 20 8205 1 1 16 THR HB H -3.559 2.994 3.625 1.00 . A A . 16 THR HB 1 1 20 8206 1 1 16 THR HG1 H -1.953 1.365 4.009 1.00 . A A . 16 THR HG1 1 1 20 8207 1 1 16 THR HG21 H -4.664 2.716 5.792 1.00 . A A . 16 THR HG21 1 1 20 8208 1 1 16 THR HG22 H -5.186 1.108 5.320 1.00 . A A . 16 THR HG22 1 1 20 8209 1 1 16 THR HG23 H -5.856 2.514 4.498 1.00 . A A . 16 THR HG23 1 1 20 8210 1 1 16 THR N N -3.235 0.885 1.813 1.00 . A A . 16 THR N 1 1 20 8211 1 1 16 THR O O -6.590 1.783 2.193 1.00 . A A . 16 THR O 1 1 20 8212 1 1 16 THR OG1 O -2.741 1.317 4.568 1.00 . A A . 16 THR OG1 1 1 20 8213 1 1 17 ILE C C -6.622 2.651 -0.842 1.00 . A A . 17 ILE C 1 1 20 8214 1 1 17 ILE CA C -6.052 3.538 0.281 1.00 . A A . 17 ILE CA 1 1 20 8215 1 1 17 ILE CB C -5.604 4.947 -0.255 1.00 . A A . 17 ILE CB 1 1 20 8216 1 1 17 ILE CD1 C -6.351 6.949 -1.677 1.00 . A A . 17 ILE CD1 1 1 20 8217 1 1 17 ILE CG1 C -6.724 5.604 -1.096 1.00 . A A . 17 ILE CG1 1 1 20 8218 1 1 17 ILE CG2 C -4.288 4.881 -1.017 1.00 . A A . 17 ILE CG2 1 1 20 8219 1 1 17 ILE H H -4.080 3.032 0.886 1.00 . A A . 17 ILE H 1 1 20 8220 1 1 17 ILE HA H -6.869 3.685 0.974 1.00 . A A . 17 ILE HA 1 1 20 8221 1 1 17 ILE HB H -5.423 5.563 0.613 1.00 . A A . 17 ILE HB 1 1 20 8222 1 1 17 ILE HD11 H -7.187 7.354 -2.229 1.00 . A A . 17 ILE HD11 1 1 20 8223 1 1 17 ILE HD12 H -5.509 6.822 -2.340 1.00 . A A . 17 ILE HD12 1 1 20 8224 1 1 17 ILE HD13 H -6.080 7.621 -0.877 1.00 . A A . 17 ILE HD13 1 1 20 8225 1 1 17 ILE HG12 H -6.987 4.957 -1.921 1.00 . A A . 17 ILE HG12 1 1 20 8226 1 1 17 ILE HG13 H -7.594 5.745 -0.471 1.00 . A A . 17 ILE HG13 1 1 20 8227 1 1 17 ILE HG21 H -4.011 5.858 -1.386 1.00 . A A . 17 ILE HG21 1 1 20 8228 1 1 17 ILE HG22 H -4.394 4.199 -1.849 1.00 . A A . 17 ILE HG22 1 1 20 8229 1 1 17 ILE HG23 H -3.524 4.515 -0.347 1.00 . A A . 17 ILE HG23 1 1 20 8230 1 1 17 ILE N N -5.031 2.853 1.042 1.00 . A A . 17 ILE N 1 1 20 8231 1 1 17 ILE O O -7.798 2.378 -0.862 1.00 . A A . 17 ILE O 1 1 20 8232 1 1 18 PHE C C -6.508 -0.067 -2.528 1.00 . A A . 18 PHE C 1 1 20 8233 1 1 18 PHE CA C -6.182 1.375 -2.864 1.00 . A A . 18 PHE CA 1 1 20 8234 1 1 18 PHE CB C -5.168 1.466 -3.993 1.00 . A A . 18 PHE CB 1 1 20 8235 1 1 18 PHE CD1 C -6.004 3.591 -4.984 1.00 . A A . 18 PHE CD1 1 1 20 8236 1 1 18 PHE CD2 C -3.715 3.466 -4.369 1.00 . A A . 18 PHE CD2 1 1 20 8237 1 1 18 PHE CE1 C -5.827 4.886 -5.415 1.00 . A A . 18 PHE CE1 1 1 20 8238 1 1 18 PHE CE2 C -3.525 4.765 -4.796 1.00 . A A . 18 PHE CE2 1 1 20 8239 1 1 18 PHE CG C -4.955 2.872 -4.458 1.00 . A A . 18 PHE CG 1 1 20 8240 1 1 18 PHE CZ C -4.583 5.477 -5.320 1.00 . A A . 18 PHE CZ 1 1 20 8241 1 1 18 PHE H H -4.799 2.311 -1.578 1.00 . A A . 18 PHE H 1 1 20 8242 1 1 18 PHE HA H -7.095 1.839 -3.208 1.00 . A A . 18 PHE HA 1 1 20 8243 1 1 18 PHE HB2 H -4.221 1.075 -3.652 1.00 . A A . 18 PHE HB2 1 1 20 8244 1 1 18 PHE HB3 H -5.529 0.885 -4.828 1.00 . A A . 18 PHE HB3 1 1 20 8245 1 1 18 PHE HD1 H -6.971 3.116 -5.040 1.00 . A A . 18 PHE HD1 1 1 20 8246 1 1 18 PHE HD2 H -2.891 2.902 -3.960 1.00 . A A . 18 PHE HD2 1 1 20 8247 1 1 18 PHE HE1 H -6.664 5.433 -5.825 1.00 . A A . 18 PHE HE1 1 1 20 8248 1 1 18 PHE HE2 H -2.548 5.219 -4.715 1.00 . A A . 18 PHE HE2 1 1 20 8249 1 1 18 PHE HZ H -4.435 6.492 -5.653 1.00 . A A . 18 PHE HZ 1 1 20 8250 1 1 18 PHE N N -5.762 2.161 -1.713 1.00 . A A . 18 PHE N 1 1 20 8251 1 1 18 PHE O O -7.585 -0.565 -2.854 1.00 . A A . 18 PHE O 1 1 20 8252 1 1 19 GLY C C -6.873 -2.367 -0.630 1.00 . A A . 19 GLY C 1 1 20 8253 1 1 19 GLY CA C -5.705 -2.138 -1.543 1.00 . A A . 19 GLY CA 1 1 20 8254 1 1 19 GLY H H -4.753 -0.248 -1.610 1.00 . A A . 19 GLY H 1 1 20 8255 1 1 19 GLY HA2 H -5.830 -2.718 -2.444 1.00 . A A . 19 GLY HA2 1 1 20 8256 1 1 19 GLY HA3 H -4.808 -2.465 -1.040 1.00 . A A . 19 GLY HA3 1 1 20 8257 1 1 19 GLY N N -5.563 -0.729 -1.882 1.00 . A A . 19 GLY N 1 1 20 8258 1 1 19 GLY O O -7.752 -3.177 -0.923 1.00 . A A . 19 GLY O 1 1 20 8259 1 1 20 LEU C C -9.330 -1.310 0.807 1.00 . A A . 20 LEU C 1 1 20 8260 1 1 20 LEU CA C -7.998 -1.700 1.407 1.00 . A A . 20 LEU CA 1 1 20 8261 1 1 20 LEU CB C -7.732 -0.910 2.662 1.00 . A A . 20 LEU CB 1 1 20 8262 1 1 20 LEU CD1 C -6.107 -2.463 3.770 1.00 . A A . 20 LEU CD1 1 1 20 8263 1 1 20 LEU CD2 C -7.500 -0.899 5.142 1.00 . A A . 20 LEU CD2 1 1 20 8264 1 1 20 LEU CG C -7.445 -1.740 3.889 1.00 . A A . 20 LEU CG 1 1 20 8265 1 1 20 LEU H H -6.116 -1.053 0.623 1.00 . A A . 20 LEU H 1 1 20 8266 1 1 20 LEU HA H -8.071 -2.743 1.681 1.00 . A A . 20 LEU HA 1 1 20 8267 1 1 20 LEU HB2 H -6.873 -0.276 2.481 1.00 . A A . 20 LEU HB2 1 1 20 8268 1 1 20 LEU HB3 H -8.591 -0.288 2.860 1.00 . A A . 20 LEU HB3 1 1 20 8269 1 1 20 LEU HD11 H -6.100 -3.090 2.892 1.00 . A A . 20 LEU HD11 1 1 20 8270 1 1 20 LEU HD12 H -5.951 -3.071 4.648 1.00 . A A . 20 LEU HD12 1 1 20 8271 1 1 20 LEU HD13 H -5.319 -1.727 3.697 1.00 . A A . 20 LEU HD13 1 1 20 8272 1 1 20 LEU HD21 H -6.760 -0.116 5.087 1.00 . A A . 20 LEU HD21 1 1 20 8273 1 1 20 LEU HD22 H -7.292 -1.528 5.994 1.00 . A A . 20 LEU HD22 1 1 20 8274 1 1 20 LEU HD23 H -8.481 -0.461 5.246 1.00 . A A . 20 LEU HD23 1 1 20 8275 1 1 20 LEU HG H -8.255 -2.455 3.925 1.00 . A A . 20 LEU HG 1 1 20 8276 1 1 20 LEU N N -6.902 -1.626 0.456 1.00 . A A . 20 LEU N 1 1 20 8277 1 1 20 LEU O O -10.362 -1.829 1.218 1.00 . A A . 20 LEU O 1 1 20 8278 1 1 21 ALA C C -11.195 -1.256 -1.535 1.00 . A A . 21 ALA C 1 1 20 8279 1 1 21 ALA CA C -10.558 -0.040 -0.867 1.00 . A A . 21 ALA CA 1 1 20 8280 1 1 21 ALA CB C -10.317 1.052 -1.891 1.00 . A A . 21 ALA CB 1 1 20 8281 1 1 21 ALA H H -8.478 0.028 -0.397 1.00 . A A . 21 ALA H 1 1 20 8282 1 1 21 ALA HA H -11.237 0.332 -0.114 1.00 . A A . 21 ALA HA 1 1 20 8283 1 1 21 ALA HB1 H -9.656 0.676 -2.658 1.00 . A A . 21 ALA HB1 1 1 20 8284 1 1 21 ALA HB2 H -9.865 1.907 -1.411 1.00 . A A . 21 ALA HB2 1 1 20 8285 1 1 21 ALA HB3 H -11.256 1.342 -2.337 1.00 . A A . 21 ALA HB3 1 1 20 8286 1 1 21 ALA N N -9.324 -0.412 -0.167 1.00 . A A . 21 ALA N 1 1 20 8287 1 1 21 ALA O O -12.394 -1.300 -1.721 1.00 . A A . 21 ALA O 1 1 20 8288 1 1 22 ALA C C -11.650 -4.297 -1.414 1.00 . A A . 22 ALA C 1 1 20 8289 1 1 22 ALA CA C -10.885 -3.473 -2.444 1.00 . A A . 22 ALA CA 1 1 20 8290 1 1 22 ALA CB C -9.770 -4.293 -3.068 1.00 . A A . 22 ALA CB 1 1 20 8291 1 1 22 ALA H H -9.419 -2.144 -1.715 1.00 . A A . 22 ALA H 1 1 20 8292 1 1 22 ALA HA H -11.578 -3.191 -3.223 1.00 . A A . 22 ALA HA 1 1 20 8293 1 1 22 ALA HB1 H -9.271 -3.690 -3.810 1.00 . A A . 22 ALA HB1 1 1 20 8294 1 1 22 ALA HB2 H -10.184 -5.174 -3.537 1.00 . A A . 22 ALA HB2 1 1 20 8295 1 1 22 ALA HB3 H -9.060 -4.591 -2.310 1.00 . A A . 22 ALA HB3 1 1 20 8296 1 1 22 ALA N N -10.386 -2.247 -1.865 1.00 . A A . 22 ALA N 1 1 20 8297 1 1 22 ALA O O -12.562 -5.020 -1.751 1.00 . A A . 22 ALA O 1 1 20 8298 1 1 23 TRP C C -13.083 -4.178 1.449 1.00 . A A . 23 TRP C 1 1 20 8299 1 1 23 TRP CA C -11.939 -4.973 0.845 1.00 . A A . 23 TRP CA 1 1 20 8300 1 1 23 TRP CB C -10.974 -5.447 1.911 1.00 . A A . 23 TRP CB 1 1 20 8301 1 1 23 TRP CD1 C -11.496 -7.278 3.614 1.00 . A A . 23 TRP CD1 1 1 20 8302 1 1 23 TRP CD2 C -11.435 -7.966 1.493 1.00 . A A . 23 TRP CD2 1 1 20 8303 1 1 23 TRP CE2 C -11.723 -9.068 2.302 1.00 . A A . 23 TRP CE2 1 1 20 8304 1 1 23 TRP CE3 C -11.351 -8.143 0.107 1.00 . A A . 23 TRP CE3 1 1 20 8305 1 1 23 TRP CG C -11.274 -6.838 2.350 1.00 . A A . 23 TRP CG 1 1 20 8306 1 1 23 TRP CH2 C -11.847 -10.477 0.416 1.00 . A A . 23 TRP CH2 1 1 20 8307 1 1 23 TRP CZ2 C -11.929 -10.336 1.776 1.00 . A A . 23 TRP CZ2 1 1 20 8308 1 1 23 TRP CZ3 C -11.559 -9.387 -0.417 1.00 . A A . 23 TRP CZ3 1 1 20 8309 1 1 23 TRP H H -10.518 -3.614 0.072 1.00 . A A . 23 TRP H 1 1 20 8310 1 1 23 TRP HA H -12.368 -5.838 0.360 1.00 . A A . 23 TRP HA 1 1 20 8311 1 1 23 TRP HB2 H -9.963 -5.400 1.538 1.00 . A A . 23 TRP HB2 1 1 20 8312 1 1 23 TRP HB3 H -11.079 -4.802 2.769 1.00 . A A . 23 TRP HB3 1 1 20 8313 1 1 23 TRP HD1 H -11.453 -6.651 4.491 1.00 . A A . 23 TRP HD1 1 1 20 8314 1 1 23 TRP HE1 H -11.923 -9.178 4.395 1.00 . A A . 23 TRP HE1 1 1 20 8315 1 1 23 TRP HE3 H -11.132 -7.315 -0.550 1.00 . A A . 23 TRP HE3 1 1 20 8316 1 1 23 TRP HH2 H -12.004 -11.446 -0.033 1.00 . A A . 23 TRP HH2 1 1 20 8317 1 1 23 TRP HZ2 H -12.153 -11.188 2.401 1.00 . A A . 23 TRP HZ2 1 1 20 8318 1 1 23 TRP HZ3 H -11.501 -9.512 -1.489 1.00 . A A . 23 TRP HZ3 1 1 20 8319 1 1 23 TRP N N -11.257 -4.211 -0.171 1.00 . A A . 23 TRP N 1 1 20 8320 1 1 23 TRP NE1 N -11.746 -8.627 3.598 1.00 . A A . 23 TRP NE1 1 1 20 8321 1 1 23 TRP O O -14.135 -4.713 1.737 1.00 . A A . 23 TRP O 1 1 20 8322 1 1 24 ALA C C -14.929 -1.649 1.157 1.00 . A A . 24 ALA C 1 1 20 8323 1 1 24 ALA CA C -13.870 -2.039 2.210 1.00 . A A . 24 ALA CA 1 1 20 8324 1 1 24 ALA CB C -13.217 -0.796 2.794 1.00 . A A . 24 ALA CB 1 1 20 8325 1 1 24 ALA H H -11.938 -2.565 1.523 1.00 . A A . 24 ALA H 1 1 20 8326 1 1 24 ALA HA H -14.362 -2.560 3.016 1.00 . A A . 24 ALA HA 1 1 20 8327 1 1 24 ALA HB1 H -12.464 -1.101 3.506 1.00 . A A . 24 ALA HB1 1 1 20 8328 1 1 24 ALA HB2 H -13.956 -0.182 3.285 1.00 . A A . 24 ALA HB2 1 1 20 8329 1 1 24 ALA HB3 H -12.746 -0.234 2.002 1.00 . A A . 24 ALA HB3 1 1 20 8330 1 1 24 ALA N N -12.848 -2.911 1.674 1.00 . A A . 24 ALA N 1 1 20 8331 1 1 24 ALA O O -16.102 -1.914 1.315 1.00 . A A . 24 ALA O 1 1 20 8332 1 1 25 LEU C C -15.862 -1.457 -1.973 1.00 . A A . 25 LEU C 1 1 20 8333 1 1 25 LEU CA C -15.385 -0.449 -0.916 1.00 . A A . 25 LEU CA 1 1 20 8334 1 1 25 LEU CB C -14.758 0.779 -1.618 1.00 . A A . 25 LEU CB 1 1 20 8335 1 1 25 LEU CD1 C -13.714 2.028 0.364 1.00 . A A . 25 LEU CD1 1 1 20 8336 1 1 25 LEU CD2 C -14.244 3.249 -1.743 1.00 . A A . 25 LEU CD2 1 1 20 8337 1 1 25 LEU CG C -14.661 2.113 -0.825 1.00 . A A . 25 LEU CG 1 1 20 8338 1 1 25 LEU H H -13.524 -0.910 -0.026 1.00 . A A . 25 LEU H 1 1 20 8339 1 1 25 LEU HA H -16.258 -0.098 -0.388 1.00 . A A . 25 LEU HA 1 1 20 8340 1 1 25 LEU HB2 H -13.757 0.497 -1.909 1.00 . A A . 25 LEU HB2 1 1 20 8341 1 1 25 LEU HB3 H -15.330 0.948 -2.516 1.00 . A A . 25 LEU HB3 1 1 20 8342 1 1 25 LEU HD11 H -13.703 2.974 0.884 1.00 . A A . 25 LEU HD11 1 1 20 8343 1 1 25 LEU HD12 H -12.718 1.797 0.018 1.00 . A A . 25 LEU HD12 1 1 20 8344 1 1 25 LEU HD13 H -14.052 1.253 1.034 1.00 . A A . 25 LEU HD13 1 1 20 8345 1 1 25 LEU HD21 H -14.174 4.162 -1.172 1.00 . A A . 25 LEU HD21 1 1 20 8346 1 1 25 LEU HD22 H -14.981 3.374 -2.522 1.00 . A A . 25 LEU HD22 1 1 20 8347 1 1 25 LEU HD23 H -13.285 3.030 -2.187 1.00 . A A . 25 LEU HD23 1 1 20 8348 1 1 25 LEU HG H -15.639 2.356 -0.435 1.00 . A A . 25 LEU HG 1 1 20 8349 1 1 25 LEU N N -14.491 -1.001 0.104 1.00 . A A . 25 LEU N 1 1 20 8350 1 1 25 LEU O O -16.893 -1.248 -2.596 1.00 . A A . 25 LEU O 1 1 20 8351 1 1 26 LEU C C -16.060 -4.726 -2.811 1.00 . A A . 26 LEU C 1 1 20 8352 1 1 26 LEU CA C -15.386 -3.451 -3.289 1.00 . A A . 26 LEU CA 1 1 20 8353 1 1 26 LEU CB C -14.082 -3.811 -4.003 1.00 . A A . 26 LEU CB 1 1 20 8354 1 1 26 LEU CD1 C -14.718 -4.298 -6.392 1.00 . A A . 26 LEU CD1 1 1 20 8355 1 1 26 LEU CD2 C -12.818 -5.565 -5.305 1.00 . A A . 26 LEU CD2 1 1 20 8356 1 1 26 LEU CG C -14.160 -4.868 -5.101 1.00 . A A . 26 LEU CG 1 1 20 8357 1 1 26 LEU H H -14.317 -2.665 -1.629 1.00 . A A . 26 LEU H 1 1 20 8358 1 1 26 LEU HA H -16.032 -2.964 -3.994 1.00 . A A . 26 LEU HA 1 1 20 8359 1 1 26 LEU HB2 H -13.676 -2.908 -4.434 1.00 . A A . 26 LEU HB2 1 1 20 8360 1 1 26 LEU HB3 H -13.395 -4.167 -3.249 1.00 . A A . 26 LEU HB3 1 1 20 8361 1 1 26 LEU HD11 H -15.703 -3.897 -6.209 1.00 . A A . 26 LEU HD11 1 1 20 8362 1 1 26 LEU HD12 H -14.789 -5.080 -7.133 1.00 . A A . 26 LEU HD12 1 1 20 8363 1 1 26 LEU HD13 H -14.072 -3.514 -6.757 1.00 . A A . 26 LEU HD13 1 1 20 8364 1 1 26 LEU HD21 H -12.547 -6.103 -4.406 1.00 . A A . 26 LEU HD21 1 1 20 8365 1 1 26 LEU HD22 H -12.058 -4.830 -5.524 1.00 . A A . 26 LEU HD22 1 1 20 8366 1 1 26 LEU HD23 H -12.886 -6.259 -6.129 1.00 . A A . 26 LEU HD23 1 1 20 8367 1 1 26 LEU HG H -14.868 -5.604 -4.747 1.00 . A A . 26 LEU HG 1 1 20 8368 1 1 26 LEU N N -15.099 -2.508 -2.197 1.00 . A A . 26 LEU N 1 1 20 8369 1 1 26 LEU O O -16.763 -5.400 -3.578 1.00 . A A . 26 LEU O 1 1 20 8370 1 1 27 ALA C C -17.570 -6.164 -0.227 1.00 . A A . 27 ALA C 1 1 20 8371 1 1 27 ALA CA C -16.300 -6.297 -1.057 1.00 . A A . 27 ALA CA 1 1 20 8372 1 1 27 ALA CB C -15.176 -6.967 -0.283 1.00 . A A . 27 ALA CB 1 1 20 8373 1 1 27 ALA H H -15.419 -4.369 -1.025 1.00 . A A . 27 ALA H 1 1 20 8374 1 1 27 ALA HA H -16.524 -6.918 -1.911 1.00 . A A . 27 ALA HA 1 1 20 8375 1 1 27 ALA HB1 H -14.301 -7.038 -0.914 1.00 . A A . 27 ALA HB1 1 1 20 8376 1 1 27 ALA HB2 H -15.476 -7.953 0.039 1.00 . A A . 27 ALA HB2 1 1 20 8377 1 1 27 ALA HB3 H -14.937 -6.363 0.581 1.00 . A A . 27 ALA HB3 1 1 20 8378 1 1 27 ALA N N -15.856 -5.034 -1.591 1.00 . A A . 27 ALA N 1 1 20 8379 1 1 27 ALA O O -17.478 -5.887 0.978 1.00 . A A . 27 ALA O 1 1 20 8380 1 1 27 ALA OXT O -18.662 -6.360 -0.789 1.00 . A A . 27 ALA OXT 1 1 stop_ save_
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