NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
388593 | 1n89 | 4977 | cing | 4-filtered-FRED | STAR | entry | full | 688 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1n89 # This FRED archive file contains, for PDB entry <1n89>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1n89 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1n89 _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 7414.06 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 $lipid_transfer_protein A . 1 1 2 . 2 $1_MYRISTOYL_2_HYDROXY_SN_GLYCERO_3__PHOSPHO_RAC__1_GLYCEROL__ B . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 2 2 PGM 1 PGM 1 1 stop_ save_ save_lipid_transfer_protein _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "lipid transfer protein" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code ACQASQLAVCASAILSGAKPSGECCGNLRAQQGCFCQYAKDPTYGQYIRSPHARDTLTSCGLAVPHC _Entity.Number_of_monomers 67 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ALA . 1 1 2 CYS . 1 1 3 GLN . 1 1 4 ALA . 1 1 5 SER . 1 1 6 GLN . 1 1 7 LEU . 1 1 8 ALA . 1 1 9 VAL . 1 1 10 CYS . 1 1 11 ALA . 1 1 12 SER . 1 1 13 ALA . 1 1 14 ILE . 1 1 15 LEU . 1 1 16 SER . 1 1 17 GLY . 1 1 18 ALA . 1 1 19 LYS . 1 1 20 PRO . 1 1 21 SER . 1 1 22 GLY . 1 1 23 GLU . 1 1 24 CYS . 1 1 25 CYS . 1 1 26 GLY . 1 1 27 ASN . 1 1 28 LEU . 1 1 29 ARG . 1 1 30 ALA . 1 1 31 GLN . 1 1 32 GLN . 1 1 33 GLY . 1 1 34 CYS . 1 1 35 PHE . 1 1 36 CYS . 1 1 37 GLN . 1 1 38 TYR . 1 1 39 ALA . 1 1 40 LYS . 1 1 41 ASP . 1 1 42 PRO . 1 1 43 THR . 1 1 44 TYR . 1 1 45 GLY . 1 1 46 GLN . 1 1 47 TYR . 1 1 48 ILE . 1 1 49 ARG . 1 1 50 SER . 1 1 51 PRO . 1 1 52 HIS . 1 1 53 ALA . 1 1 54 ARG . 1 1 55 ASP . 1 1 56 THR . 1 1 57 LEU . 1 1 58 THR . 1 1 59 SER . 1 1 60 CYS . 1 1 61 GLY . 1 1 62 LEU . 1 1 63 ALA . 1 1 64 VAL . 1 1 65 PRO . 1 1 66 HIS . 1 1 67 CYS . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID ALA 1 1 1 1 CYS 2 2 1 1 GLN 3 3 1 1 ALA 4 4 1 1 SER 5 5 1 1 GLN 6 6 1 1 LEU 7 7 1 1 ALA 8 8 1 1 VAL 9 9 1 1 CYS 10 10 1 1 ALA 11 11 1 1 SER 12 12 1 1 ALA 13 13 1 1 ILE 14 14 1 1 LEU 15 15 1 1 SER 16 16 1 1 GLY 17 17 1 1 ALA 18 18 1 1 LYS 19 19 1 1 PRO 20 20 1 1 SER 21 21 1 1 GLY 22 22 1 1 GLU 23 23 1 1 CYS 24 24 1 1 CYS 25 25 1 1 GLY 26 26 1 1 ASN 27 27 1 1 LEU 28 28 1 1 ARG 29 29 1 1 ALA 30 30 1 1 GLN 31 31 1 1 GLN 32 32 1 1 GLY 33 33 1 1 CYS 34 34 1 1 PHE 35 35 1 1 CYS 36 36 1 1 GLN 37 37 1 1 TYR 38 38 1 1 ALA 39 39 1 1 LYS 40 40 1 1 ASP 41 41 1 1 PRO 42 42 1 1 THR 43 43 1 1 TYR 44 44 1 1 GLY 45 45 1 1 GLN 46 46 1 1 TYR 47 47 1 1 ILE 48 48 1 1 ARG 49 49 1 1 SER 50 50 1 1 PRO 51 51 1 1 HIS 52 52 1 1 ALA 53 53 1 1 ARG 54 54 1 1 ASP 55 55 1 1 THR 56 56 1 1 LEU 57 57 1 1 THR 58 58 1 1 SER 59 59 1 1 CYS 60 60 1 1 GLY 61 61 1 1 LEU 62 62 1 1 ALA 63 63 1 1 VAL 64 64 1 1 PRO 65 65 1 1 HIS 66 66 1 1 CYS 67 67 1 1 stop_ save_ save_1_MYRISTOYL_2_HYDROXY_SN_GLYCERO_3__PHOSPHO_RAC__1_GLYCEROL__ _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "1 MYRISTOYL 2 HYDROXY SN GLYCERO 3 PHOSPHO RAC 1 GLYCEROL " _Entity.Type non-polymer 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 PGM $PGM 1 2 stop_ save_ save_PGM _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID PGM _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 332 1 . . . 1 1 333 1 . . . 1 1 334 1 . . . 1 1 335 1 . . . 1 1 336 1 . . . 1 1 337 1 . . . 1 1 338 1 . . . 1 1 339 1 . . . 1 1 340 1 . . . 1 1 341 1 . . . 1 1 342 1 . . . 1 1 343 1 . . . 1 1 344 1 . . . 1 1 345 1 . . . 1 1 346 1 . . . 1 1 347 1 . . . 1 1 348 1 . . . 1 1 349 1 . . . 1 1 350 1 . . . 1 1 351 1 . . . 1 1 352 1 . . . 1 1 353 1 . . . 1 1 354 1 . . . 1 1 355 1 . . . 1 1 356 1 . . . 1 1 357 1 . . . 1 1 358 1 . . . 1 1 359 1 . . . 1 1 360 1 . . . 1 1 361 1 . . . 1 1 362 1 . . . 1 1 363 1 . . . 1 1 364 1 . . . 1 1 365 1 . . . 1 1 366 1 . . . 1 1 367 1 . . . 1 1 368 1 . . . 1 1 369 1 . . . 1 1 370 1 . . . 1 1 371 1 . . . 1 1 372 1 . . . 1 1 373 1 . . . 1 1 374 1 . . . 1 1 375 1 . . . 1 1 376 1 . . . 1 1 377 1 . . . 1 1 378 1 . . . 1 1 379 1 . . . 1 1 380 1 . . . 1 1 381 1 . . . 1 1 382 1 . . . 1 1 383 1 . . . 1 1 384 1 . . . 1 1 385 1 . . . 1 1 386 1 . . . 1 1 387 1 . . . 1 1 388 1 . . . 1 1 389 1 . . . 1 1 390 1 . . . 1 1 391 1 . . . 1 1 392 1 . . . 1 1 393 1 . . . 1 1 394 1 . . . 1 1 395 1 . . . 1 1 396 1 . . . 1 1 397 1 . . . 1 1 398 1 . . . 1 1 399 1 . . . 1 1 400 1 . . . 1 1 401 1 . . . 1 1 402 1 . . . 1 1 403 1 . . . 1 1 404 1 . . . 1 1 405 1 . . . 1 1 406 1 . . . 1 1 407 1 . . . 1 1 408 1 . . . 1 1 409 1 . . . 1 1 410 1 . . . 1 1 411 1 . . . 1 1 412 1 . . . 1 1 413 1 . . . 1 1 414 1 . . . 1 1 415 1 . . . 1 1 416 1 . . . 1 1 417 1 . . . 1 1 418 1 . . . 1 1 419 1 . . . 1 1 420 1 . . . 1 1 421 1 . . . 1 1 422 1 . . . 1 1 423 1 . . . 1 1 424 1 . . . 1 1 425 1 . . . 1 1 426 1 . . . 1 1 427 1 . . . 1 1 428 1 . . . 1 1 429 1 . . . 1 1 430 1 . . . 1 1 431 1 . . . 1 1 432 1 . . . 1 1 433 1 . . . 1 1 434 1 . . . 1 1 435 1 . . . 1 1 436 1 . . . 1 1 437 1 . . . 1 1 438 1 . . . 1 1 439 1 . . . 1 1 440 1 . . . 1 1 441 1 . . . 1 1 442 1 . . . 1 1 443 1 . . . 1 1 444 1 . . . 1 1 445 1 . . . 1 1 446 1 . . . 1 1 447 1 . . . 1 1 448 1 . . . 1 1 449 1 . . . 1 1 450 1 . . . 1 1 451 1 . . . 1 1 452 1 . . . 1 1 453 1 . . . 1 1 454 1 . . . 1 1 455 1 . . . 1 1 456 1 . . . 1 1 457 1 . . . 1 1 458 1 . . . 1 1 459 1 . . . 1 1 460 1 . . . 1 1 461 1 . . . 1 1 462 1 . . . 1 1 463 1 . . . 1 1 464 1 . . . 1 1 465 1 . . . 1 1 466 1 . . . 1 1 467 1 . . . 1 1 468 1 . . . 1 1 469 1 . . . 1 1 470 1 . . . 1 1 471 1 . . . 1 1 472 1 . . . 1 1 473 1 . . . 1 1 474 1 . . . 1 1 475 1 . . . 1 1 476 1 . . . 1 1 477 1 . . . 1 1 478 1 . . . 1 1 479 1 . . . 1 1 480 1 . . . 1 1 481 1 . . . 1 1 482 1 . . . 1 1 483 1 . . . 1 1 484 1 . . . 1 1 485 1 . . . 1 1 486 1 . . . 1 1 487 1 . . . 1 1 488 1 . . . 1 1 489 1 . . . 1 1 490 1 . . . 1 1 491 1 . . . 1 1 492 1 . . . 1 1 493 1 . . . 1 1 494 1 . . . 1 1 495 1 . . . 1 1 496 1 . . . 1 1 497 1 . . . 1 1 498 1 . . . 1 1 499 1 . . . 1 1 500 1 . . . 1 1 501 1 . . . 1 1 502 1 . . . 1 1 503 1 . . . 1 1 504 1 . . . 1 1 505 1 . . . 1 1 506 1 . . . 1 1 507 1 . . . 1 1 508 1 . . . 1 1 509 1 . . . 1 1 510 1 . . . 1 1 511 1 . . . 1 1 512 1 . . . 1 1 513 1 . . . 1 1 514 1 . . . 1 1 515 1 . . . 1 1 516 1 . . . 1 1 517 1 . . . 1 1 518 1 . . . 1 1 519 1 . . . 1 1 520 1 . . . 1 1 521 1 . . . 1 1 522 1 . . . 1 1 523 1 . . . 1 1 524 1 . . . 1 1 525 1 . . . 1 1 526 1 . . . 1 1 527 1 . . . 1 1 528 1 . . . 1 1 529 1 . . . 1 1 530 1 . . . 1 1 531 1 . . . 1 1 532 1 . . . 1 1 533 1 . . . 1 1 534 1 . . . 1 1 535 1 . . . 1 1 536 1 . . . 1 1 537 1 . . . 1 1 538 1 . . . 1 1 539 1 . . . 1 1 540 1 . . . 1 1 541 1 . . . 1 1 542 1 . . . 1 1 543 1 . . . 1 1 544 1 . . . 1 1 545 1 . . . 1 1 546 1 . . . 1 1 547 1 . . . 1 1 548 1 . . . 1 1 549 1 . . . 1 1 550 1 . . . 1 1 551 1 . . . 1 1 552 1 . . . 1 1 553 1 . . . 1 1 554 1 . . . 1 1 555 1 . . . 1 1 556 1 . . . 1 1 557 1 . . . 1 1 558 1 . . . 1 1 559 1 . . . 1 1 560 1 . . . 1 1 561 1 . . . 1 1 562 1 . . . 1 1 563 1 . . . 1 1 564 1 . . . 1 1 565 1 . . . 1 1 566 1 . . . 1 1 567 1 . . . 1 1 568 1 . . . 1 1 569 1 . . . 1 1 570 1 . . . 1 1 571 1 . . . 1 1 572 1 . . . 1 1 573 1 . . . 1 1 574 1 . . . 1 1 575 1 . . . 1 1 576 1 . . . 1 1 577 1 . . . 1 1 578 1 . . . 1 1 579 1 . . . 1 1 580 1 . . . 1 1 581 1 . . . 1 1 582 1 . . . 1 1 583 1 . . . 1 1 584 1 . . . 1 1 585 1 . . . 1 1 586 1 . . . 1 1 587 1 . . . 1 1 588 1 . . . 1 1 589 1 . . . 1 1 590 1 . . . 1 1 591 1 . . . 1 1 592 1 . . . 1 1 593 1 . . . 1 1 594 1 . . . 1 1 595 1 . . . 1 1 596 1 . . . 1 1 597 1 . . . 1 1 598 1 . . . 1 1 599 1 . . . 1 1 600 1 . . . 1 1 601 1 . . . 1 1 602 1 . . . 1 1 603 1 . . . 1 1 604 1 . . . 1 1 605 1 . . . 1 1 606 1 . . . 1 1 607 1 . . . 1 1 608 1 . . . 1 1 609 1 . . . 1 1 610 1 . . . 1 1 611 1 . . . 1 1 612 1 . . . 1 1 613 1 . . . 1 1 614 1 . . . 1 1 615 1 . . . 1 1 616 1 . . . 1 1 617 1 . . . 1 1 618 1 . . . 1 1 619 1 . . . 1 1 620 1 . . . 1 1 621 1 . . . 1 1 622 1 . . . 1 1 623 1 . . . 1 1 624 1 . . . 1 1 625 1 . . . 1 1 626 1 . . . 1 1 627 1 . . . 1 1 628 1 . . . 1 1 629 1 . . . 1 1 630 1 . . . 1 1 631 1 . . . 1 1 632 1 . . . 1 1 633 1 . . . 1 1 634 1 . . . 1 1 635 1 . . . 1 1 636 1 . . . 1 1 637 1 . . . 1 1 638 1 . . . 1 1 639 1 . . . 1 1 640 1 . . . 1 1 641 1 . . . 1 1 642 1 . . . 1 1 643 1 . . . 1 1 644 1 . . . 1 1 645 1 . . . 1 1 646 1 . . . 1 1 647 1 . . . 1 1 648 1 . . . 1 1 649 1 . . . 1 1 650 1 . . . 1 1 651 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 ALA HA . 1 . HA 1 1 1 1 2 1 1 2 CYS H . 2 . HN 1 1 2 1 1 1 1 1 ALA MB . 1 . HB# 1 1 2 1 2 1 1 2 CYS H . 2 . HN 1 1 3 1 1 1 1 2 CYS H . 2 . HN 1 1 3 1 2 1 1 3 GLN H . 3 . HN 1 1 4 1 1 1 1 2 CYS QB . 2 . HB# 1 1 4 1 2 1 1 34 CYS HB3 . 34 . HB1 1 1 5 1 1 1 1 2 CYS QB . 2 . HB# 1 1 5 1 2 1 1 38 TYR QE . 38 . HE# 1 1 6 1 1 1 1 3 GLN H . 3 . HN 1 1 6 1 2 1 1 3 GLN QB . 3 . HB# 1 1 7 1 1 1 1 3 GLN H . 3 . HN 1 1 7 1 2 1 1 3 GLN QG . 3 . HG# 1 1 8 1 1 1 1 3 GLN HA . 3 . HA 1 1 8 1 2 1 1 3 GLN QG . 3 . HG# 1 1 9 1 1 1 1 3 GLN HA . 3 . HA 1 1 9 1 2 1 1 4 ALA H . 4 . HN 1 1 10 1 1 1 1 3 GLN QB . 3 . HB# 1 1 10 1 2 1 1 4 ALA H . 4 . HN 1 1 11 1 1 1 1 3 GLN QB . 3 . HB# 1 1 11 1 2 1 1 6 GLN H . 6 . HN 1 1 12 1 1 1 1 3 GLN QG . 3 . HG# 1 1 12 1 2 1 1 4 ALA H . 4 . HN 1 1 13 1 1 1 1 3 GLN QG . 3 . HG# 1 1 13 1 2 1 1 6 GLN H . 6 . HN 1 1 14 1 1 1 1 4 ALA H . 4 . HN 1 1 14 1 2 1 1 4 ALA HA . 4 . HA 1 1 15 1 1 1 1 4 ALA H . 4 . HN 1 1 15 1 2 1 1 4 ALA MB . 4 . HB# 1 1 16 1 1 1 1 4 ALA H . 4 . HN 1 1 16 1 2 1 1 5 SER H . 5 . HN 1 1 17 1 1 1 1 4 ALA H . 4 . HN 1 1 17 1 2 1 1 38 TYR QE . 38 . HE# 1 1 18 1 1 1 1 4 ALA HA . 4 . HA 1 1 18 1 2 1 1 5 SER H . 5 . HN 1 1 19 1 1 1 1 4 ALA HA . 4 . HA 1 1 19 1 2 1 1 38 TYR QE . 38 . HE# 1 1 20 1 1 1 1 4 ALA MB . 4 . HB# 1 1 20 1 2 1 1 5 SER H . 5 . HN 1 1 21 1 1 1 1 4 ALA MB . 4 . HB# 1 1 21 1 2 1 1 38 TYR QD . 38 . HD# 1 1 22 1 1 1 1 4 ALA MB . 4 . HB# 1 1 22 1 2 1 1 38 TYR QE . 38 . HE# 1 1 23 1 1 1 1 4 ALA MB . 4 . HB# 1 1 23 1 2 1 1 44 TYR QE . 44 . HE# 1 1 24 1 1 1 1 5 SER H . 5 . HN 1 1 24 1 2 1 1 5 SER QB . 5 . HB# 1 1 25 1 1 1 1 5 SER H . 5 . HN 1 1 25 1 2 1 1 6 GLN H . 6 . HN 1 1 26 1 1 1 1 5 SER QB . 5 . HB# 1 1 26 1 2 1 1 6 GLN H . 6 . HN 1 1 27 1 1 1 1 6 GLN H . 6 . HN 1 1 27 1 2 1 1 6 GLN HA . 6 . HA 1 1 28 1 1 1 1 6 GLN H . 6 . HN 1 1 28 1 2 1 1 6 GLN QB . 6 . HB# 1 1 29 1 1 1 1 6 GLN H . 6 . HN 1 1 29 1 2 1 1 6 GLN QG . 6 . HG# 1 1 30 1 1 1 1 6 GLN H . 6 . HN 1 1 30 1 2 1 1 7 LEU H . 7 . HN 1 1 31 1 1 1 1 6 GLN H . 6 . HN 1 1 31 1 2 1 1 7 LEU QD . 7 . HD# 1 1 32 1 1 1 1 6 GLN H . 6 . HN 1 1 32 1 2 1 1 7 LEU HG . 7 . HG 1 1 33 1 1 1 1 6 GLN H . 6 . HN 1 1 33 1 2 1 1 9 VAL QG . 9 . HG# 1 1 34 1 1 1 1 6 GLN HA . 6 . HA 1 1 34 1 2 1 1 6 GLN QG . 6 . HG# 1 1 35 1 1 1 1 6 GLN HA . 6 . HA 1 1 35 1 2 1 1 7 LEU H . 7 . HN 1 1 36 1 1 1 1 6 GLN HA . 6 . HA 1 1 36 1 2 1 1 27 ASN HD21 . 27 . HD21 1 1 37 1 1 1 1 6 GLN QB . 6 . HB# 1 1 37 1 2 1 1 6 GLN QG . 6 . HG# 1 1 38 1 1 1 1 6 GLN QB . 6 . HB# 1 1 38 1 2 1 1 27 ASN HD21 . 27 . HD21 1 1 39 1 1 1 1 6 GLN QB . 6 . HB# 1 1 39 1 2 1 1 31 GLN HE21 . 31 . HE21 1 1 40 1 1 1 1 6 GLN QB . 6 . HB# 1 1 40 1 2 1 1 31 GLN HE22 . 31 . HE22 1 1 41 1 1 1 1 7 LEU H . 7 . HN 1 1 41 1 2 1 1 7 LEU HA . 7 . HA 1 1 42 1 1 1 1 7 LEU H . 7 . HN 1 1 42 1 2 1 1 7 LEU QB . 7 . HB# 1 1 43 1 1 1 1 7 LEU H . 7 . HN 1 1 43 1 2 1 1 7 LEU QD . 7 . HD# 1 1 44 1 1 1 1 7 LEU H . 7 . HN 1 1 44 1 2 1 1 7 LEU HG . 7 . HG 1 1 45 1 1 1 1 7 LEU H . 7 . HN 1 1 45 1 2 1 1 8 ALA H . 8 . HN 1 1 46 1 1 1 1 7 LEU HA . 7 . HA 1 1 46 1 2 1 1 7 LEU QB . 7 . HB# 1 1 47 1 1 1 1 7 LEU HA . 7 . HA 1 1 47 1 2 1 1 7 LEU QD . 7 . HD# 1 1 48 1 1 1 1 7 LEU HA . 7 . HA 1 1 48 1 2 1 1 7 LEU HG . 7 . HG 1 1 49 1 1 1 1 7 LEU QB . 7 . HB# 1 1 49 1 2 1 1 7 LEU HG . 7 . HG 1 1 50 1 1 1 1 7 LEU QD . 7 . HD# 1 1 50 1 2 1 1 27 ASN HA . 27 . HA 1 1 51 1 1 1 1 7 LEU QD . 7 . HD# 1 1 51 1 2 1 1 27 ASN QB . 27 . HB# 1 1 52 1 1 1 1 7 LEU QD . 7 . HD# 1 1 52 1 2 1 1 28 LEU H . 28 . HN 1 1 53 1 1 1 1 7 LEU QD . 7 . HD# 1 1 53 1 2 1 1 28 LEU HA . 28 . HA 1 1 54 1 1 1 1 7 LEU QD . 7 . HD# 1 1 54 1 2 1 1 28 LEU HG . 28 . HG 1 1 55 1 1 1 1 7 LEU QD . 7 . HD# 1 1 55 1 2 1 1 31 GLN HE21 . 31 . HE21 1 1 56 1 1 1 1 7 LEU QD . 7 . HD# 1 1 56 1 2 1 1 31 GLN HE22 . 31 . HE22 1 1 57 1 1 1 1 7 LEU QD . 7 . HD# 1 1 57 1 2 1 1 35 PHE QD . 35 . HD# 1 1 58 1 1 1 1 7 LEU QD . 7 . HD# 1 1 58 1 2 1 1 35 PHE QE . 35 . HE# 1 1 59 1 1 1 1 7 LEU QD . 7 . HD# 1 1 59 1 2 1 1 38 TYR QD . 38 . HD# 1 1 60 1 1 1 1 7 LEU QD . 7 . HD# 1 1 60 1 2 1 1 38 TYR QE . 38 . HE# 1 1 61 1 1 1 1 7 LEU HG . 7 . HG 1 1 61 1 2 1 1 31 GLN HE22 . 31 . HE22 1 1 62 1 1 1 1 7 LEU HG . 7 . HG 1 1 62 1 2 1 1 38 TYR QE . 38 . HE# 1 1 63 1 1 1 1 8 ALA H . 8 . HN 1 1 63 1 2 1 1 8 ALA HA . 8 . HA 1 1 64 1 1 1 1 8 ALA H . 8 . HN 1 1 64 1 2 1 1 8 ALA MB . 8 . HB# 1 1 65 1 1 1 1 8 ALA HA . 8 . HA 1 1 65 1 2 1 1 9 VAL H . 9 . HN 1 1 66 1 1 1 1 8 ALA MB . 8 . HB# 1 1 66 1 2 1 1 9 VAL H . 9 . HN 1 1 67 1 1 1 1 8 ALA MB . 8 . HB# 1 1 67 1 2 1 1 9 VAL HA . 9 . HA 1 1 68 1 1 1 1 9 VAL H . 9 . HN 1 1 68 1 2 1 1 9 VAL HA . 9 . HA 1 1 69 1 1 1 1 9 VAL H . 9 . HN 1 1 69 1 2 1 1 9 VAL HB . 9 . HB 1 1 70 1 1 1 1 9 VAL H . 9 . HN 1 1 70 1 2 1 1 9 VAL QG . 9 . HG# 1 1 71 1 1 1 1 9 VAL H . 9 . HN 1 1 71 1 2 1 1 10 CYS H . 10 . HN 1 1 72 1 1 1 1 9 VAL HA . 9 . HA 1 1 72 1 2 1 1 9 VAL HB . 9 . HB 1 1 73 1 1 1 1 9 VAL HA . 9 . HA 1 1 73 1 2 1 1 9 VAL QG . 9 . HG# 1 1 74 1 1 1 1 9 VAL HA . 9 . HA 1 1 74 1 2 1 1 10 CYS H . 10 . HN 1 1 75 1 1 1 1 9 VAL QG . 9 . HG# 1 1 75 1 2 1 1 10 CYS H . 10 . HN 1 1 76 1 1 1 1 9 VAL QG . 9 . HG# 1 1 76 1 2 1 1 24 CYS H . 24 . HN 1 1 77 1 1 1 1 9 VAL QG . 9 . HG# 1 1 77 1 2 1 1 24 CYS HA . 24 . HA 1 1 78 1 1 1 1 9 VAL QG . 9 . HG# 1 1 78 1 2 1 1 24 CYS QB . 24 . HB# 1 1 79 1 1 1 1 9 VAL QG . 9 . HG# 1 1 79 1 2 1 1 27 ASN HD21 . 27 . HD21 1 1 80 1 1 1 1 9 VAL QG . 9 . HG# 1 1 80 1 2 1 1 27 ASN HD22 . 27 . HD22 1 1 81 1 1 1 1 10 CYS H . 10 . HN 1 1 81 1 2 1 1 10 CYS HB2 . 10 . HB2 1 1 82 1 1 1 1 10 CYS H . 10 . HN 1 1 82 1 2 1 1 10 CYS HB3 . 10 . HB1 1 1 83 1 1 1 1 10 CYS H . 10 . HN 1 1 83 1 2 1 1 11 ALA H . 11 . HN 1 1 84 1 1 1 1 10 CYS HA . 10 . HA 1 1 84 1 2 1 1 10 CYS HB2 . 10 . HB2 1 1 85 1 1 1 1 10 CYS HA . 10 . HA 1 1 85 1 2 1 1 10 CYS HB3 . 10 . HB1 1 1 86 1 1 1 1 10 CYS HA . 10 . HA 1 1 86 1 2 1 1 13 ALA MB . 13 . HB# 1 1 87 1 1 1 1 10 CYS HB2 . 10 . HB2 1 1 87 1 2 1 1 11 ALA H . 11 . HN 1 1 88 1 1 1 1 10 CYS HB2 . 10 . HB2 1 1 88 1 2 1 1 14 ILE MD . 14 . HD1# 1 1 89 1 1 1 1 10 CYS HB3 . 10 . HB1 1 1 89 1 2 1 1 11 ALA H . 11 . HN 1 1 90 1 1 1 1 10 CYS HB3 . 10 . HB1 1 1 90 1 2 1 1 14 ILE MD . 14 . HD1# 1 1 91 1 1 1 1 11 ALA H . 11 . HN 1 1 91 1 2 1 1 11 ALA HA . 11 . HA 1 1 92 1 1 1 1 11 ALA H . 11 . HN 1 1 92 1 2 1 1 11 ALA MB . 11 . HB# 1 1 93 1 1 1 1 11 ALA H . 11 . HN 1 1 93 1 2 1 1 12 SER H . 12 . HN 1 1 94 1 1 1 1 11 ALA HA . 11 . HA 1 1 94 1 2 1 1 12 SER H . 12 . HN 1 1 95 1 1 1 1 11 ALA HA . 11 . HA 1 1 95 1 2 1 1 14 ILE H . 14 . HN 1 1 96 1 1 1 1 11 ALA HA . 11 . HA 1 1 96 1 2 1 1 14 ILE MD . 14 . HD1# 1 1 97 1 1 1 1 11 ALA HA . 11 . HA 1 1 97 1 2 1 1 47 TYR QD . 47 . HD# 1 1 98 1 1 1 1 11 ALA HA . 11 . HA 1 1 98 1 2 1 1 47 TYR QE . 47 . HE# 1 1 99 1 1 1 1 11 ALA MB . 11 . HB# 1 1 99 1 2 1 1 12 SER H . 12 . HN 1 1 100 1 1 1 1 11 ALA MB . 11 . HB# 1 1 100 1 2 1 1 47 TYR QD . 47 . HD# 1 1 101 1 1 1 1 11 ALA MB . 11 . HB# 1 1 101 1 2 1 1 47 TYR QE . 47 . HE# 1 1 102 1 1 1 1 12 SER H . 12 . HN 1 1 102 1 2 1 1 12 SER HA . 12 . HA 1 1 103 1 1 1 1 12 SER H . 12 . HN 1 1 103 1 2 1 1 12 SER QB . 12 . HB# 1 1 104 1 1 1 1 12 SER H . 12 . HN 1 1 104 1 2 1 1 13 ALA H . 13 . HN 1 1 105 1 1 1 1 12 SER HA . 12 . HA 1 1 105 1 2 1 1 12 SER QB . 12 . HB# 1 1 106 1 1 1 1 12 SER QB . 12 . HB# 1 1 106 1 2 1 1 13 ALA H . 13 . HN 1 1 107 1 1 1 1 12 SER QB . 12 . HB# 1 1 107 1 2 1 1 18 ALA MB . 18 . HB# 1 1 108 1 1 1 1 13 ALA H . 13 . HN 1 1 108 1 2 1 1 13 ALA HA . 13 . HA 1 1 109 1 1 1 1 13 ALA H . 13 . HN 1 1 109 1 2 1 1 13 ALA MB . 13 . HB# 1 1 110 1 1 1 1 13 ALA H . 13 . HN 1 1 110 1 2 1 1 14 ILE H . 14 . HN 1 1 111 1 1 1 1 13 ALA HA . 13 . HA 1 1 111 1 2 1 1 14 ILE H . 14 . HN 1 1 112 1 1 1 1 13 ALA HA . 13 . HA 1 1 112 1 2 1 1 18 ALA H . 18 . HN 1 1 113 1 1 1 1 13 ALA HA . 13 . HA 1 1 113 1 2 1 1 18 ALA MB . 18 . HB# 1 1 114 1 1 1 1 13 ALA MB . 13 . HB# 1 1 114 1 2 1 1 14 ILE H . 14 . HN 1 1 115 1 1 1 1 13 ALA MB . 13 . HB# 1 1 115 1 2 1 1 18 ALA H . 18 . HN 1 1 116 1 1 1 1 13 ALA MB . 13 . HB# 1 1 116 1 2 1 1 18 ALA MB . 18 . HB# 1 1 117 1 1 1 1 13 ALA MB . 13 . HB# 1 1 117 1 2 1 1 20 PRO HA . 20 . HA 1 1 118 1 1 1 1 13 ALA MB . 13 . HB# 1 1 118 1 2 1 1 20 PRO QB . 20 . HB# 1 1 119 1 1 1 1 14 ILE H . 14 . HN 1 1 119 1 2 1 1 14 ILE HA . 14 . HA 1 1 120 1 1 1 1 14 ILE H . 14 . HN 1 1 120 1 2 1 1 14 ILE HB . 14 . HB 1 1 121 1 1 1 1 14 ILE H . 14 . HN 1 1 121 1 2 1 1 14 ILE MD . 14 . HD1# 1 1 122 1 1 1 1 14 ILE H . 14 . HN 1 1 122 1 2 1 1 14 ILE QG . 14 . HG1# 1 1 123 1 1 1 1 14 ILE H . 14 . HN 1 1 123 1 2 1 1 15 LEU H . 15 . HN 1 1 124 1 1 1 1 14 ILE HA . 14 . HA 1 1 124 1 2 1 1 14 ILE HB . 14 . HB 1 1 125 1 1 1 1 14 ILE HA . 14 . HA 1 1 125 1 2 1 1 14 ILE MD . 14 . HD1# 1 1 126 1 1 1 1 14 ILE HA . 14 . HA 1 1 126 1 2 1 1 14 ILE QG . 14 . HG1# 1 1 127 1 1 1 1 14 ILE HA . 14 . HA 1 1 127 1 2 1 1 15 LEU H . 15 . HN 1 1 128 1 1 1 1 14 ILE HA . 14 . HA 1 1 128 1 2 1 1 52 HIS QB . 52 . HB# 1 1 129 1 1 1 1 14 ILE HB . 14 . HB 1 1 129 1 2 1 1 14 ILE MD . 14 . HD1# 1 1 130 1 1 1 1 14 ILE HB . 14 . HB 1 1 130 1 2 1 1 15 LEU QD . 15 . HD# 1 1 131 1 1 1 1 14 ILE MD . 14 . HD1# 1 1 131 1 2 1 1 47 TYR QD . 47 . HD# 1 1 132 1 1 1 1 14 ILE QG . 14 . HG1# 1 1 132 1 2 1 1 15 LEU H . 15 . HN 1 1 133 1 1 1 1 14 ILE QG . 14 . HG1# 1 1 133 1 2 1 1 47 TYR HB2 . 47 . HB2 1 1 134 1 1 1 1 14 ILE QG . 14 . HG1# 1 1 134 1 2 1 1 47 TYR HB3 . 47 . HB1 1 1 135 1 1 1 1 14 ILE QG . 14 . HG1# 1 1 135 1 2 1 1 47 TYR QD . 47 . HD# 1 1 136 1 1 1 1 14 ILE QG . 14 . HG1# 1 1 136 1 2 1 1 47 TYR QE . 47 . HE# 1 1 137 1 1 1 1 14 ILE QG . 14 . HG1# 1 1 137 1 2 1 1 53 ALA HA . 53 . HA 1 1 138 1 1 1 1 14 ILE QG . 14 . HG1# 1 1 138 1 2 1 1 53 ALA MB . 53 . HB# 1 1 139 1 1 1 1 15 LEU H . 15 . HN 1 1 139 1 2 1 1 15 LEU HA . 15 . HA 1 1 140 1 1 1 1 15 LEU H . 15 . HN 1 1 140 1 2 1 1 15 LEU QB . 15 . HB# 1 1 141 1 1 1 1 15 LEU H . 15 . HN 1 1 141 1 2 1 1 15 LEU QD . 15 . HD# 1 1 142 1 1 1 1 15 LEU H . 15 . HN 1 1 142 1 2 1 1 15 LEU HG . 15 . HG 1 1 143 1 1 1 1 15 LEU H . 15 . HN 1 1 143 1 2 1 1 16 SER H . 16 . HN 1 1 144 1 1 1 1 15 LEU HA . 15 . HA 1 1 144 1 2 1 1 15 LEU QD . 15 . HD# 1 1 145 1 1 1 1 15 LEU HA . 15 . HA 1 1 145 1 2 1 1 15 LEU HG . 15 . HG 1 1 146 1 1 1 1 15 LEU HA . 15 . HA 1 1 146 1 2 1 1 16 SER H . 16 . HN 1 1 147 1 1 1 1 15 LEU QB . 15 . HB# 1 1 147 1 2 1 1 15 LEU HG . 15 . HG 1 1 148 1 1 1 1 15 LEU QB . 15 . HB# 1 1 148 1 2 1 1 16 SER H . 16 . HN 1 1 149 1 1 1 1 15 LEU QD . 15 . HD# 1 1 149 1 2 1 1 47 TYR HA . 47 . HA 1 1 150 1 1 1 1 15 LEU QD . 15 . HD# 1 1 150 1 2 1 1 47 TYR QD . 47 . HD# 1 1 151 1 1 1 1 15 LEU QD . 15 . HD# 1 1 151 1 2 1 1 47 TYR QE . 47 . HE# 1 1 152 1 1 1 1 15 LEU HG . 15 . HG 1 1 152 1 2 1 1 47 TYR QD . 47 . HD# 1 1 153 1 1 1 1 15 LEU HG . 15 . HG 1 1 153 1 2 1 1 47 TYR QE . 47 . HE# 1 1 154 1 1 1 1 16 SER H . 16 . HN 1 1 154 1 2 1 1 16 SER QB . 16 . HB# 1 1 155 1 1 1 1 16 SER QB . 16 . HB# 1 1 155 1 2 1 1 18 ALA H . 18 . HN 1 1 156 1 1 1 1 17 GLY H . 17 . HN 1 1 156 1 2 1 1 18 ALA H . 18 . HN 1 1 157 1 1 1 1 18 ALA H . 18 . HN 1 1 157 1 2 1 1 18 ALA HA . 18 . HA 1 1 158 1 1 1 1 18 ALA H . 18 . HN 1 1 158 1 2 1 1 18 ALA MB . 18 . HB# 1 1 159 1 1 1 1 18 ALA H . 18 . HN 1 1 159 1 2 1 1 19 LYS H . 19 . HN 1 1 160 1 1 1 1 18 ALA HA . 18 . HA 1 1 160 1 2 1 1 19 LYS H . 19 . HN 1 1 161 1 1 1 1 18 ALA MB . 18 . HB# 1 1 161 1 2 1 1 19 LYS H . 19 . HN 1 1 162 1 1 1 1 19 LYS H . 19 . HN 1 1 162 1 2 1 1 19 LYS HA . 19 . HA 1 1 163 1 1 1 1 19 LYS H . 19 . HN 1 1 163 1 2 1 1 19 LYS QD . 19 . HD# 1 1 164 1 1 1 1 19 LYS H . 19 . HN 1 1 164 1 2 1 1 19 LYS QE . 19 . HE# 1 1 165 1 1 1 1 19 LYS H . 19 . HN 1 1 165 1 2 1 1 19 LYS QG . 19 . HG# 1 1 166 1 1 1 1 19 LYS HA . 19 . HA 1 1 166 1 2 1 1 19 LYS QD . 19 . HD# 1 1 167 1 1 1 1 19 LYS HA . 19 . HA 1 1 167 1 2 1 1 19 LYS QE . 19 . HE# 1 1 168 1 1 1 1 19 LYS HA . 19 . HA 1 1 168 1 2 1 1 19 LYS QG . 19 . HG# 1 1 169 1 1 1 1 19 LYS HA . 19 . HA 1 1 169 1 2 1 1 20 PRO QD . 20 . HD# 1 1 170 1 1 1 1 20 PRO HA . 20 . HA 1 1 170 1 2 1 1 20 PRO QD . 20 . HD# 1 1 171 1 1 1 1 20 PRO HA . 20 . HA 1 1 171 1 2 1 1 20 PRO QG . 20 . HG# 1 1 172 1 1 1 1 20 PRO HA . 20 . HA 1 1 172 1 2 1 1 21 SER H . 21 . HN 1 1 173 1 1 1 1 20 PRO QB . 20 . HB# 1 1 173 1 2 1 1 20 PRO QD . 20 . HD# 1 1 174 1 1 1 1 20 PRO QB . 20 . HB# 1 1 174 1 2 1 1 21 SER H . 21 . HN 1 1 175 1 1 1 1 20 PRO QD . 20 . HD# 1 1 175 1 2 1 1 20 PRO QG . 20 . HG# 1 1 176 1 1 1 1 21 SER H . 21 . HN 1 1 176 1 2 1 1 21 SER HA . 21 . HA 1 1 177 1 1 1 1 21 SER H . 21 . HN 1 1 177 1 2 1 1 21 SER QB . 21 . HB# 1 1 178 1 1 1 1 21 SER H . 21 . HN 1 1 178 1 2 1 1 22 GLY H . 22 . HN 1 1 179 1 1 1 1 21 SER H . 21 . HN 1 1 179 1 2 1 1 24 CYS QB . 24 . HB# 1 1 180 1 1 1 1 21 SER HA . 21 . HA 1 1 180 1 2 1 1 21 SER QB . 21 . HB# 1 1 181 1 1 1 1 21 SER HA . 21 . HA 1 1 181 1 2 1 1 22 GLY H . 22 . HN 1 1 182 1 1 1 1 21 SER QB . 21 . HB# 1 1 182 1 2 1 1 22 GLY H . 22 . HN 1 1 183 1 1 1 1 21 SER QB . 21 . HB# 1 1 183 1 2 1 1 24 CYS H . 24 . HN 1 1 184 1 1 1 1 22 GLY H . 22 . HN 1 1 184 1 2 1 1 22 GLY QA . 22 . HA# 1 1 185 1 1 1 1 22 GLY H . 22 . HN 1 1 185 1 2 1 1 23 GLU H . 23 . HN 1 1 186 1 1 1 1 22 GLY QA . 22 . HA# 1 1 186 1 2 1 1 23 GLU H . 23 . HN 1 1 187 1 1 1 1 22 GLY QA . 22 . HA# 1 1 187 1 2 1 1 25 CYS H . 25 . HN 1 1 188 1 1 1 1 23 GLU H . 23 . HN 1 1 188 1 2 1 1 23 GLU HA . 23 . HA 1 1 189 1 1 1 1 23 GLU H . 23 . HN 1 1 189 1 2 1 1 23 GLU HB2 . 23 . HB2 1 1 190 1 1 1 1 23 GLU H . 23 . HN 1 1 190 1 2 1 1 23 GLU HB3 . 23 . HB1 1 1 191 1 1 1 1 23 GLU H . 23 . HN 1 1 191 1 2 1 1 23 GLU QG . 23 . HG# 1 1 192 1 1 1 1 23 GLU H . 23 . HN 1 1 192 1 2 1 1 24 CYS H . 24 . HN 1 1 193 1 1 1 1 23 GLU HA . 23 . HA 1 1 193 1 2 1 1 23 GLU HB2 . 23 . HB2 1 1 194 1 1 1 1 23 GLU HA . 23 . HA 1 1 194 1 2 1 1 23 GLU HB3 . 23 . HB1 1 1 195 1 1 1 1 23 GLU HA . 23 . HA 1 1 195 1 2 1 1 23 GLU QG . 23 . HG# 1 1 196 1 1 1 1 23 GLU HA . 23 . HA 1 1 196 1 2 1 1 26 GLY H . 26 . HN 1 1 197 1 1 1 1 24 CYS H . 24 . HN 1 1 197 1 2 1 1 24 CYS HA . 24 . HA 1 1 198 1 1 1 1 24 CYS H . 24 . HN 1 1 198 1 2 1 1 24 CYS QB . 24 . HB# 1 1 199 1 1 1 1 24 CYS H . 24 . HN 1 1 199 1 2 1 1 25 CYS H . 25 . HN 1 1 200 1 1 1 1 24 CYS HA . 24 . HA 1 1 200 1 2 1 1 24 CYS QB . 24 . HB# 1 1 201 1 1 1 1 24 CYS HA . 24 . HA 1 1 201 1 2 1 1 25 CYS H . 25 . HN 1 1 202 1 1 1 1 24 CYS HA . 24 . HA 1 1 202 1 2 1 1 27 ASN H . 27 . HN 1 1 203 1 1 1 1 24 CYS HA . 24 . HA 1 1 203 1 2 1 1 27 ASN QB . 27 . HB# 1 1 204 1 1 1 1 24 CYS QB . 24 . HB# 1 1 204 1 2 1 1 25 CYS H . 25 . HN 1 1 205 1 1 1 1 25 CYS H . 25 . HN 1 1 205 1 2 1 1 25 CYS HA . 25 . HA 1 1 206 1 1 1 1 25 CYS H . 25 . HN 1 1 206 1 2 1 1 25 CYS QB . 25 . HB# 1 1 207 1 1 1 1 25 CYS H . 25 . HN 1 1 207 1 2 1 1 26 GLY H . 26 . HN 1 1 208 1 1 1 1 25 CYS HA . 25 . HA 1 1 208 1 2 1 1 26 GLY H . 26 . HN 1 1 209 1 1 1 1 25 CYS HA . 25 . HA 1 1 209 1 2 1 1 28 LEU H . 28 . HN 1 1 210 1 1 1 1 25 CYS QB . 25 . HB# 1 1 210 1 2 1 1 26 GLY H . 26 . HN 1 1 211 1 1 1 1 26 GLY H . 26 . HN 1 1 211 1 2 1 1 26 GLY QA . 26 . HA# 1 1 212 1 1 1 1 26 GLY H . 26 . HN 1 1 212 1 2 1 1 27 ASN H . 27 . HN 1 1 213 1 1 1 1 26 GLY QA . 26 . HA# 1 1 213 1 2 1 1 27 ASN H . 27 . HN 1 1 214 1 1 1 1 26 GLY QA . 26 . HA# 1 1 214 1 2 1 1 29 ARG H . 29 . HN 1 1 215 1 1 1 1 27 ASN H . 27 . HN 1 1 215 1 2 1 1 27 ASN HA . 27 . HA 1 1 216 1 1 1 1 27 ASN H . 27 . HN 1 1 216 1 2 1 1 27 ASN QB . 27 . HB# 1 1 217 1 1 1 1 27 ASN H . 27 . HN 1 1 217 1 2 1 1 27 ASN HD21 . 27 . HD21 1 1 218 1 1 1 1 27 ASN H . 27 . HN 1 1 218 1 2 1 1 27 ASN HD22 . 27 . HD22 1 1 219 1 1 1 1 27 ASN H . 27 . HN 1 1 219 1 2 1 1 28 LEU H . 28 . HN 1 1 220 1 1 1 1 27 ASN HA . 27 . HA 1 1 220 1 2 1 1 27 ASN HD21 . 27 . HD21 1 1 221 1 1 1 1 27 ASN HA . 27 . HA 1 1 221 1 2 1 1 27 ASN HD22 . 27 . HD22 1 1 222 1 1 1 1 27 ASN HA . 27 . HA 1 1 222 1 2 1 1 28 LEU H . 28 . HN 1 1 223 1 1 1 1 27 ASN HA . 27 . HA 1 1 223 1 2 1 1 30 ALA H . 30 . HN 1 1 224 1 1 1 1 27 ASN HA . 27 . HA 1 1 224 1 2 1 1 30 ALA MB . 30 . HB# 1 1 225 1 1 1 1 27 ASN QB . 27 . HB# 1 1 225 1 2 1 1 27 ASN HD21 . 27 . HD21 1 1 226 1 1 1 1 27 ASN QB . 27 . HB# 1 1 226 1 2 1 1 27 ASN HD22 . 27 . HD22 1 1 227 1 1 1 1 27 ASN QB . 27 . HB# 1 1 227 1 2 1 1 28 LEU H . 28 . HN 1 1 228 1 1 1 1 28 LEU H . 28 . HN 1 1 228 1 2 1 1 28 LEU HA . 28 . HA 1 1 229 1 1 1 1 28 LEU H . 28 . HN 1 1 229 1 2 1 1 28 LEU QB . 28 . HB# 1 1 230 1 1 1 1 28 LEU H . 28 . HN 1 1 230 1 2 1 1 28 LEU QD . 28 . HD# 1 1 231 1 1 1 1 28 LEU H . 28 . HN 1 1 231 1 2 1 1 28 LEU HG . 28 . HG 1 1 232 1 1 1 1 28 LEU H . 28 . HN 1 1 232 1 2 1 1 29 ARG H . 29 . HN 1 1 233 1 1 1 1 28 LEU HA . 28 . HA 1 1 233 1 2 1 1 28 LEU QD . 28 . HD# 1 1 234 1 1 1 1 28 LEU HA . 28 . HA 1 1 234 1 2 1 1 28 LEU HG . 28 . HG 1 1 235 1 1 1 1 28 LEU HA . 28 . HA 1 1 235 1 2 1 1 29 ARG H . 29 . HN 1 1 236 1 1 1 1 28 LEU HA . 28 . HA 1 1 236 1 2 1 1 31 GLN H . 31 . HN 1 1 237 1 1 1 1 28 LEU HA . 28 . HA 1 1 237 1 2 1 1 31 GLN QB . 31 . HB# 1 1 238 1 1 1 1 28 LEU HA . 28 . HA 1 1 238 1 2 1 1 35 PHE QD . 35 . HD# 1 1 239 1 1 1 1 28 LEU HA . 28 . HA 1 1 239 1 2 1 1 35 PHE QE . 35 . HE# 1 1 240 1 1 1 1 28 LEU QB . 28 . HB# 1 1 240 1 2 1 1 28 LEU HG . 28 . HG 1 1 241 1 1 1 1 28 LEU QB . 28 . HB# 1 1 241 1 2 1 1 29 ARG H . 29 . HN 1 1 242 1 1 1 1 28 LEU QB . 28 . HB# 1 1 242 1 2 1 1 35 PHE QB . 35 . HB# 1 1 243 1 1 1 1 28 LEU QB . 28 . HB# 1 1 243 1 2 1 1 35 PHE QD . 35 . HD# 1 1 244 1 1 1 1 28 LEU QB . 28 . HB# 1 1 244 1 2 1 1 35 PHE QE . 35 . HE# 1 1 245 1 1 1 1 28 LEU QD . 28 . HD# 1 1 245 1 2 1 1 29 ARG HE . 29 . HE 1 1 246 1 1 1 1 28 LEU QD . 28 . HD# 1 1 246 1 2 1 1 32 GLN H . 32 . HN 1 1 247 1 1 1 1 28 LEU QD . 28 . HD# 1 1 247 1 2 1 1 32 GLN HE21 . 32 . HE21 1 1 248 1 1 1 1 28 LEU QD . 28 . HD# 1 1 248 1 2 1 1 32 GLN HE22 . 32 . HE22 1 1 249 1 1 1 1 28 LEU QD . 28 . HD# 1 1 249 1 2 1 1 35 PHE QD . 35 . HD# 1 1 250 1 1 1 1 28 LEU QD . 28 . HD# 1 1 250 1 2 1 1 35 PHE QE . 35 . HE# 1 1 251 1 1 1 1 28 LEU HG . 28 . HG 1 1 251 1 2 1 1 35 PHE QD . 35 . HD# 1 1 252 1 1 1 1 29 ARG H . 29 . HN 1 1 252 1 2 1 1 29 ARG HA . 29 . HA 1 1 253 1 1 1 1 29 ARG H . 29 . HN 1 1 253 1 2 1 1 29 ARG QB . 29 . HB# 1 1 254 1 1 1 1 29 ARG H . 29 . HN 1 1 254 1 2 1 1 29 ARG QD . 29 . HD# 1 1 255 1 1 1 1 29 ARG H . 29 . HN 1 1 255 1 2 1 1 29 ARG QG . 29 . HG# 1 1 256 1 1 1 1 29 ARG H . 29 . HN 1 1 256 1 2 1 1 30 ALA H . 30 . HN 1 1 257 1 1 1 1 29 ARG HA . 29 . HA 1 1 257 1 2 1 1 29 ARG QD . 29 . HD# 1 1 258 1 1 1 1 29 ARG HA . 29 . HA 1 1 258 1 2 1 1 29 ARG HE . 29 . HE 1 1 259 1 1 1 1 29 ARG HA . 29 . HA 1 1 259 1 2 1 1 29 ARG QG . 29 . HG# 1 1 260 1 1 1 1 29 ARG HA . 29 . HA 1 1 260 1 2 1 1 30 ALA H . 30 . HN 1 1 261 1 1 1 1 29 ARG HA . 29 . HA 1 1 261 1 2 1 1 31 GLN H . 31 . HN 1 1 262 1 1 1 1 29 ARG HA . 29 . HA 1 1 262 1 2 1 1 32 GLN H . 32 . HN 1 1 263 1 1 1 1 29 ARG HA . 29 . HA 1 1 263 1 2 1 1 32 GLN QB . 32 . HB# 1 1 264 1 1 1 1 29 ARG HA . 29 . HA 1 1 264 1 2 1 1 32 GLN HE21 . 32 . HE21 1 1 265 1 1 1 1 29 ARG HA . 29 . HA 1 1 265 1 2 1 1 32 GLN HE22 . 32 . HE22 1 1 266 1 1 1 1 29 ARG HA . 29 . HA 1 1 266 1 2 1 1 32 GLN QG . 32 . HG# 1 1 267 1 1 1 1 29 ARG HA . 29 . HA 1 1 267 1 2 1 1 62 LEU QD . 62 . HD# 1 1 268 1 1 1 1 29 ARG QB . 29 . HB# 1 1 268 1 2 1 1 29 ARG QD . 29 . HD# 1 1 269 1 1 1 1 29 ARG QB . 29 . HB# 1 1 269 1 2 1 1 29 ARG HE . 29 . HE 1 1 270 1 1 1 1 29 ARG QB . 29 . HB# 1 1 270 1 2 1 1 30 ALA H . 30 . HN 1 1 271 1 1 1 1 29 ARG QB . 29 . HB# 1 1 271 1 2 1 1 32 GLN HE21 . 32 . HE21 1 1 272 1 1 1 1 29 ARG QB . 29 . HB# 1 1 272 1 2 1 1 62 LEU QD . 62 . HD# 1 1 273 1 1 1 1 29 ARG QD . 29 . HD# 1 1 273 1 2 1 1 29 ARG HE . 29 . HE 1 1 274 1 1 1 1 29 ARG QD . 29 . HD# 1 1 274 1 2 1 1 29 ARG QG . 29 . HG# 1 1 275 1 1 1 1 29 ARG QD . 29 . HD# 1 1 275 1 2 1 1 62 LEU QD . 62 . HD# 1 1 276 1 1 1 1 29 ARG HE . 29 . HE 1 1 276 1 2 1 1 29 ARG QG . 29 . HG# 1 1 277 1 1 1 1 29 ARG QG . 29 . HG# 1 1 277 1 2 1 1 32 GLN HE21 . 32 . HE21 1 1 278 1 1 1 1 29 ARG QG . 29 . HG# 1 1 278 1 2 1 1 32 GLN HE22 . 32 . HE22 1 1 279 1 1 1 1 29 ARG QG . 29 . HG# 1 1 279 1 2 1 1 62 LEU QD . 62 . HD# 1 1 280 1 1 1 1 30 ALA H . 30 . HN 1 1 280 1 2 1 1 30 ALA HA . 30 . HA 1 1 281 1 1 1 1 30 ALA H . 30 . HN 1 1 281 1 2 1 1 30 ALA MB . 30 . HB# 1 1 282 1 1 1 1 30 ALA H . 30 . HN 1 1 282 1 2 1 1 31 GLN H . 31 . HN 1 1 283 1 1 1 1 30 ALA HA . 30 . HA 1 1 283 1 2 1 1 31 GLN H . 31 . HN 1 1 284 1 1 1 1 30 ALA MB . 30 . HB# 1 1 284 1 2 1 1 31 GLN H . 31 . HN 1 1 285 1 1 1 1 30 ALA MB . 30 . HB# 1 1 285 1 2 1 1 31 GLN QB . 31 . HB# 1 1 286 1 1 1 1 30 ALA MB . 30 . HB# 1 1 286 1 2 1 1 31 GLN QG . 31 . HG# 1 1 287 1 1 1 1 31 GLN H . 31 . HN 1 1 287 1 2 1 1 31 GLN HA . 31 . HA 1 1 288 1 1 1 1 31 GLN H . 31 . HN 1 1 288 1 2 1 1 31 GLN QB . 31 . HB# 1 1 289 1 1 1 1 31 GLN H . 31 . HN 1 1 289 1 2 1 1 31 GLN QG . 31 . HG# 1 1 290 1 1 1 1 31 GLN H . 31 . HN 1 1 290 1 2 1 1 32 GLN H . 32 . HN 1 1 291 1 1 1 1 31 GLN HA . 31 . HA 1 1 291 1 2 1 1 31 GLN QG . 31 . HG# 1 1 292 1 1 1 1 31 GLN HA . 31 . HA 1 1 292 1 2 1 1 32 GLN H . 32 . HN 1 1 293 1 1 1 1 31 GLN HA . 31 . HA 1 1 293 1 2 1 1 33 GLY H . 33 . HN 1 1 294 1 1 1 1 31 GLN QB . 31 . HB# 1 1 294 1 2 1 1 31 GLN HE21 . 31 . HE21 1 1 295 1 1 1 1 31 GLN QB . 31 . HB# 1 1 295 1 2 1 1 31 GLN HE22 . 31 . HE22 1 1 296 1 1 1 1 31 GLN QB . 31 . HB# 1 1 296 1 2 1 1 31 GLN QG . 31 . HG# 1 1 297 1 1 1 1 31 GLN QB . 31 . HB# 1 1 297 1 2 1 1 32 GLN H . 32 . HN 1 1 298 1 1 1 1 31 GLN QB . 31 . HB# 1 1 298 1 2 1 1 38 TYR QE . 38 . HE# 1 1 299 1 1 1 1 31 GLN HE21 . 31 . HE21 1 1 299 1 2 1 1 31 GLN QG . 31 . HG# 1 1 300 1 1 1 1 31 GLN HE22 . 31 . HE22 1 1 300 1 2 1 1 31 GLN QG . 31 . HG# 1 1 301 1 1 1 1 31 GLN QG . 31 . HG# 1 1 301 1 2 1 1 32 GLN H . 32 . HN 1 1 302 1 1 1 1 32 GLN H . 32 . HN 1 1 302 1 2 1 1 32 GLN HA . 32 . HA 1 1 303 1 1 1 1 32 GLN H . 32 . HN 1 1 303 1 2 1 1 32 GLN QB . 32 . HB# 1 1 304 1 1 1 1 32 GLN H . 32 . HN 1 1 304 1 2 1 1 32 GLN QG . 32 . HG# 1 1 305 1 1 1 1 32 GLN H . 32 . HN 1 1 305 1 2 1 1 33 GLY H . 33 . HN 1 1 306 1 1 1 1 32 GLN HA . 32 . HA 1 1 306 1 2 1 1 32 GLN QB . 32 . HB# 1 1 307 1 1 1 1 32 GLN HA . 32 . HA 1 1 307 1 2 1 1 32 GLN QG . 32 . HG# 1 1 308 1 1 1 1 32 GLN HA . 32 . HA 1 1 308 1 2 1 1 33 GLY H . 33 . HN 1 1 309 1 1 1 1 32 GLN QB . 32 . HB# 1 1 309 1 2 1 1 32 GLN HE21 . 32 . HE21 1 1 310 1 1 1 1 32 GLN QB . 32 . HB# 1 1 310 1 2 1 1 32 GLN HE22 . 32 . HE22 1 1 311 1 1 1 1 32 GLN QB . 32 . HB# 1 1 311 1 2 1 1 33 GLY H . 33 . HN 1 1 312 1 1 1 1 32 GLN QB . 32 . HB# 1 1 312 1 2 1 1 35 PHE QD . 35 . HD# 1 1 313 1 1 1 1 32 GLN QB . 32 . HB# 1 1 313 1 2 1 1 35 PHE QE . 35 . HE# 1 1 314 1 1 1 1 32 GLN HE22 . 32 . HE22 1 1 314 1 2 1 1 32 GLN QG . 32 . HG# 1 1 315 1 1 1 1 32 GLN QG . 32 . HG# 1 1 315 1 2 1 1 33 GLY H . 33 . HN 1 1 316 1 1 1 1 32 GLN QG . 32 . HG# 1 1 316 1 2 1 1 35 PHE QD . 35 . HD# 1 1 317 1 1 1 1 32 GLN QG . 32 . HG# 1 1 317 1 2 1 1 35 PHE QE . 35 . HE# 1 1 318 1 1 1 1 33 GLY H . 33 . HN 1 1 318 1 2 1 1 33 GLY QA . 33 . HA# 1 1 319 1 1 1 1 33 GLY H . 33 . HN 1 1 319 1 2 1 1 34 CYS H . 34 . HN 1 1 320 1 1 1 1 33 GLY H . 33 . HN 1 1 320 1 2 1 1 35 PHE H . 35 . HN 1 1 321 1 1 1 1 33 GLY QA . 33 . HA# 1 1 321 1 2 1 1 34 CYS H . 34 . HN 1 1 322 1 1 1 1 34 CYS H . 34 . HN 1 1 322 1 2 1 1 34 CYS HA . 34 . HA 1 1 323 1 1 1 1 34 CYS H . 34 . HN 1 1 323 1 2 1 1 34 CYS HB2 . 34 . HB2 1 1 324 1 1 1 1 34 CYS H . 34 . HN 1 1 324 1 2 1 1 34 CYS HB3 . 34 . HB1 1 1 325 1 1 1 1 34 CYS H . 34 . HN 1 1 325 1 2 1 1 35 PHE H . 35 . HN 1 1 326 1 1 1 1 34 CYS HA . 34 . HA 1 1 326 1 2 1 1 34 CYS HB2 . 34 . HB2 1 1 327 1 1 1 1 34 CYS HA . 34 . HA 1 1 327 1 2 1 1 34 CYS HB3 . 34 . HB1 1 1 328 1 1 1 1 34 CYS HA . 34 . HA 1 1 328 1 2 1 1 35 PHE H . 35 . HN 1 1 329 1 1 1 1 34 CYS HA . 34 . HA 1 1 329 1 2 1 1 37 GLN H . 37 . HN 1 1 330 1 1 1 1 34 CYS HB2 . 34 . HB2 1 1 330 1 2 1 1 35 PHE H . 35 . HN 1 1 331 1 1 1 1 34 CYS HB2 . 34 . HB2 1 1 331 1 2 1 1 38 TYR QE . 38 . HE# 1 1 332 1 1 1 1 34 CYS HB3 . 34 . HB1 1 1 332 1 2 1 1 37 GLN QE . 37 . HE2# 1 1 333 1 1 1 1 34 CYS HB3 . 34 . HB1 1 1 333 1 2 1 1 38 TYR QE . 38 . HE# 1 1 334 1 1 1 1 35 PHE H . 35 . HN 1 1 334 1 2 1 1 35 PHE HA . 35 . HA 1 1 335 1 1 1 1 35 PHE H . 35 . HN 1 1 335 1 2 1 1 35 PHE QB . 35 . HB# 1 1 336 1 1 1 1 35 PHE H . 35 . HN 1 1 336 1 2 1 1 35 PHE QD . 35 . HD# 1 1 337 1 1 1 1 35 PHE H . 35 . HN 1 1 337 1 2 1 1 36 CYS H . 36 . HN 1 1 338 1 1 1 1 35 PHE HA . 35 . HA 1 1 338 1 2 1 1 35 PHE QD . 35 . HD# 1 1 339 1 1 1 1 35 PHE HA . 35 . HA 1 1 339 1 2 1 1 35 PHE QE . 35 . HE# 1 1 340 1 1 1 1 35 PHE HA . 35 . HA 1 1 340 1 2 1 1 36 CYS H . 36 . HN 1 1 341 1 1 1 1 35 PHE HA . 35 . HA 1 1 341 1 2 1 1 38 TYR H . 38 . HN 1 1 342 1 1 1 1 35 PHE HA . 35 . HA 1 1 342 1 2 1 1 38 TYR QD . 38 . HD# 1 1 343 1 1 1 1 35 PHE HA . 35 . HA 1 1 343 1 2 1 1 38 TYR QE . 38 . HE# 1 1 344 1 1 1 1 35 PHE QB . 35 . HB# 1 1 344 1 2 1 1 35 PHE QE . 35 . HE# 1 1 345 1 1 1 1 35 PHE QB . 35 . HB# 1 1 345 1 2 1 1 36 CYS H . 36 . HN 1 1 346 1 1 1 1 35 PHE QB . 35 . HB# 1 1 346 1 2 2 2 1 PGM CI . 68 . CI 1 1 347 1 1 1 1 35 PHE QD . 35 . HD# 1 1 347 1 2 1 1 38 TYR QD . 38 . HD# 1 1 348 1 1 1 1 35 PHE QD . 35 . HD# 1 1 348 1 2 1 1 38 TYR QE . 38 . HE# 1 1 349 1 1 1 1 35 PHE QD . 35 . HD# 1 1 349 1 2 1 1 64 VAL QG . 64 . HG# 1 1 350 1 1 1 1 35 PHE QD . 35 . HD# 1 1 350 1 2 1 1 65 PRO QB . 65 . HB# 1 1 351 1 1 1 1 35 PHE QD . 35 . HD# 1 1 351 1 2 1 1 65 PRO QD . 65 . HD# 1 1 352 1 1 1 1 35 PHE QE . 35 . HE# 1 1 352 1 2 1 1 36 CYS QB . 36 . HB# 1 1 353 1 1 1 1 35 PHE QE . 35 . HE# 1 1 353 1 2 1 1 38 TYR QD . 38 . HD# 1 1 354 1 1 1 1 35 PHE QE . 35 . HE# 1 1 354 1 2 1 1 38 TYR QE . 38 . HE# 1 1 355 1 1 1 1 35 PHE QE . 35 . HE# 1 1 355 1 2 1 1 62 LEU HG . 62 . HG 1 1 356 1 1 1 1 35 PHE QE . 35 . HE# 1 1 356 1 2 1 1 65 PRO QB . 65 . HB# 1 1 357 1 1 1 1 36 CYS H . 36 . HN 1 1 357 1 2 1 1 36 CYS QB . 36 . HB# 1 1 358 1 1 1 1 36 CYS H . 36 . HN 1 1 358 1 2 1 1 37 GLN H . 37 . HN 1 1 359 1 1 1 1 36 CYS HA . 36 . HA 1 1 359 1 2 1 1 37 GLN H . 37 . HN 1 1 360 1 1 1 1 36 CYS QB . 36 . HB# 1 1 360 1 2 1 1 37 GLN H . 37 . HN 1 1 361 1 1 1 1 37 GLN H . 37 . HN 1 1 361 1 2 1 1 37 GLN HA . 37 . HA 1 1 362 1 1 1 1 37 GLN H . 37 . HN 1 1 362 1 2 1 1 37 GLN QB . 37 . HB# 1 1 363 1 1 1 1 37 GLN H . 37 . HN 1 1 363 1 2 1 1 37 GLN QG . 37 . HG# 1 1 364 1 1 1 1 37 GLN H . 37 . HN 1 1 364 1 2 1 1 38 TYR H . 38 . HN 1 1 365 1 1 1 1 37 GLN H . 37 . HN 1 1 365 1 2 1 1 39 ALA H . 39 . HN 1 1 366 1 1 1 1 37 GLN HA . 37 . HA 1 1 366 1 2 1 1 37 GLN QB . 37 . HB# 1 1 367 1 1 1 1 37 GLN HA . 37 . HA 1 1 367 1 2 1 1 37 GLN QG . 37 . HG# 1 1 368 1 1 1 1 37 GLN HA . 37 . HA 1 1 368 1 2 1 1 38 TYR H . 38 . HN 1 1 369 1 1 1 1 37 GLN QB . 37 . HB# 1 1 369 1 2 1 1 38 TYR H . 38 . HN 1 1 370 1 1 1 1 38 TYR H . 38 . HN 1 1 370 1 2 1 1 38 TYR QB . 38 . HB# 1 1 371 1 1 1 1 38 TYR H . 38 . HN 1 1 371 1 2 1 1 38 TYR QD . 38 . HD# 1 1 372 1 1 1 1 38 TYR H . 38 . HN 1 1 372 1 2 1 1 39 ALA H . 39 . HN 1 1 373 1 1 1 1 38 TYR QB . 38 . HB# 1 1 373 1 2 1 1 38 TYR QE . 38 . HE# 1 1 374 1 1 1 1 38 TYR QB . 38 . HB# 1 1 374 1 2 1 1 39 ALA H . 39 . HN 1 1 375 1 1 1 1 38 TYR QD . 38 . HD# 1 1 375 1 2 1 1 48 ILE MD . 48 . HD1# 1 1 376 1 1 1 1 39 ALA H . 39 . HN 1 1 376 1 2 1 1 39 ALA HA . 39 . HA 1 1 377 1 1 1 1 39 ALA H . 39 . HN 1 1 377 1 2 1 1 39 ALA MB . 39 . HB# 1 1 378 1 1 1 1 39 ALA H . 39 . HN 1 1 378 1 2 1 1 40 LYS H . 40 . HN 1 1 379 1 1 1 1 39 ALA H . 39 . HN 1 1 379 1 2 1 1 48 ILE MD . 48 . HD1# 1 1 380 1 1 1 1 39 ALA H . 39 . HN 1 1 380 1 2 1 1 48 ILE MG . 48 . HG2# 1 1 381 1 1 1 1 39 ALA HA . 39 . HA 1 1 381 1 2 1 1 40 LYS H . 40 . HN 1 1 382 1 1 1 1 39 ALA MB . 39 . HB# 1 1 382 1 2 1 1 40 LYS QB . 40 . HB# 1 1 383 1 1 1 1 39 ALA MB . 39 . HB# 1 1 383 1 2 1 1 48 ILE MD . 48 . HD1# 1 1 384 1 1 1 1 39 ALA MB . 39 . HB# 1 1 384 1 2 1 1 48 ILE MG . 48 . HG2# 1 1 385 1 1 1 1 40 LYS H . 40 . HN 1 1 385 1 2 1 1 40 LYS HA . 40 . HA 1 1 386 1 1 1 1 40 LYS H . 40 . HN 1 1 386 1 2 1 1 40 LYS QB . 40 . HB# 1 1 387 1 1 1 1 40 LYS H . 40 . HN 1 1 387 1 2 1 1 40 LYS QE . 40 . HE# 1 1 388 1 1 1 1 40 LYS H . 40 . HN 1 1 388 1 2 1 1 41 ASP H . 41 . HN 1 1 389 1 1 1 1 40 LYS H . 40 . HN 1 1 389 1 2 1 1 41 ASP HB3 . 41 . HB1 1 1 390 1 1 1 1 40 LYS HA . 40 . HA 1 1 390 1 2 1 1 40 LYS QB . 40 . HB# 1 1 391 1 1 1 1 40 LYS HA . 40 . HA 1 1 391 1 2 1 1 40 LYS QE . 40 . HE# 1 1 392 1 1 1 1 40 LYS HA . 40 . HA 1 1 392 1 2 1 1 40 LYS QG . 40 . HG# 1 1 393 1 1 1 1 40 LYS HA . 40 . HA 1 1 393 1 2 1 1 41 ASP H . 41 . HN 1 1 394 1 1 1 1 40 LYS QB . 40 . HB# 1 1 394 1 2 1 1 40 LYS QE . 40 . HE# 1 1 395 1 1 1 1 40 LYS QB . 40 . HB# 1 1 395 1 2 1 1 41 ASP H . 41 . HN 1 1 396 1 1 1 1 40 LYS QE . 40 . HE# 1 1 396 1 2 1 1 40 LYS QG . 40 . HG# 1 1 397 1 1 1 1 41 ASP H . 41 . HN 1 1 397 1 2 1 1 41 ASP HA . 41 . HA 1 1 398 1 1 1 1 41 ASP H . 41 . HN 1 1 398 1 2 1 1 41 ASP HB2 . 41 . HB2 1 1 399 1 1 1 1 41 ASP H . 41 . HN 1 1 399 1 2 1 1 41 ASP HB3 . 41 . HB1 1 1 400 1 1 1 1 41 ASP HA . 41 . HA 1 1 400 1 2 1 1 41 ASP HB2 . 41 . HB2 1 1 401 1 1 1 1 41 ASP HA . 41 . HA 1 1 401 1 2 1 1 41 ASP HB3 . 41 . HB1 1 1 402 1 1 1 1 41 ASP HA . 41 . HA 1 1 402 1 2 1 1 42 PRO QD . 42 . HD# 1 1 403 1 1 1 1 41 ASP HA . 41 . HA 1 1 403 1 2 1 1 42 PRO QG . 42 . HG# 1 1 404 1 1 1 1 41 ASP HB2 . 41 . HB2 1 1 404 1 2 1 1 44 TYR QE . 44 . HE# 1 1 405 1 1 1 1 41 ASP HB3 . 41 . HB1 1 1 405 1 2 1 1 44 TYR QD . 44 . HD# 1 1 406 1 1 1 1 41 ASP HB3 . 41 . HB1 1 1 406 1 2 1 1 44 TYR QE . 44 . HE# 1 1 407 1 1 1 1 42 PRO HA . 42 . HA 1 1 407 1 2 1 1 42 PRO QD . 42 . HD# 1 1 408 1 1 1 1 42 PRO HA . 42 . HA 1 1 408 1 2 1 1 42 PRO QG . 42 . HG# 1 1 409 1 1 1 1 42 PRO HA . 42 . HA 1 1 409 1 2 1 1 43 THR H . 43 . HN 1 1 410 1 1 1 1 42 PRO HA . 42 . HA 1 1 410 1 2 1 1 45 GLY H . 45 . HN 1 1 411 1 1 1 1 42 PRO QB . 42 . HB# 1 1 411 1 2 1 1 42 PRO QD . 42 . HD# 1 1 412 1 1 1 1 42 PRO QG . 42 . HG# 1 1 412 1 2 1 1 43 THR H . 43 . HN 1 1 413 1 1 1 1 43 THR H . 43 . HN 1 1 413 1 2 1 1 43 THR HA . 43 . HA 1 1 414 1 1 1 1 43 THR H . 43 . HN 1 1 414 1 2 1 1 43 THR HB . 43 . HB 1 1 415 1 1 1 1 43 THR H . 43 . HN 1 1 415 1 2 1 1 43 THR HG1 . 43 . HG1 1 1 416 1 1 1 1 43 THR H . 43 . HN 1 1 416 1 2 1 1 44 TYR H . 44 . HN 1 1 417 1 1 1 1 43 THR HA . 43 . HA 1 1 417 1 2 1 1 43 THR HB . 43 . HB 1 1 418 1 1 1 1 43 THR HA . 43 . HA 1 1 418 1 2 1 1 43 THR HG1 . 43 . HG1 1 1 419 1 1 1 1 43 THR HA . 43 . HA 1 1 419 1 2 1 1 44 TYR H . 44 . HN 1 1 420 1 1 1 1 43 THR HB . 43 . HB 1 1 420 1 2 1 1 43 THR HG1 . 43 . HG1 1 1 421 1 1 1 1 43 THR HB . 43 . HB 1 1 421 1 2 1 1 44 TYR H . 44 . HN 1 1 422 1 1 1 1 43 THR HB . 43 . HB 1 1 422 1 2 1 1 44 TYR QD . 44 . HD# 1 1 423 1 1 1 1 43 THR HB . 43 . HB 1 1 423 1 2 1 1 44 TYR QE . 44 . HE# 1 1 424 1 1 1 1 43 THR HG1 . 43 . HG1 1 1 424 1 2 1 1 44 TYR H . 44 . HN 1 1 425 1 1 1 1 43 THR HG1 . 43 . HG1 1 1 425 1 2 1 1 44 TYR QD . 44 . HD# 1 1 426 1 1 1 1 43 THR HG1 . 43 . HG1 1 1 426 1 2 1 1 44 TYR QE . 44 . HE# 1 1 427 1 1 1 1 44 TYR H . 44 . HN 1 1 427 1 2 1 1 44 TYR QB . 44 . HB# 1 1 428 1 1 1 1 44 TYR H . 44 . HN 1 1 428 1 2 1 1 44 TYR QD . 44 . HD# 1 1 429 1 1 1 1 44 TYR H . 44 . HN 1 1 429 1 2 1 1 45 GLY H . 45 . HN 1 1 430 1 1 1 1 44 TYR HA . 44 . HA 1 1 430 1 2 1 1 44 TYR QD . 44 . HD# 1 1 431 1 1 1 1 44 TYR HA . 44 . HA 1 1 431 1 2 1 1 47 TYR QD . 47 . HD# 1 1 432 1 1 1 1 44 TYR QB . 44 . HB# 1 1 432 1 2 1 1 45 GLY H . 45 . HN 1 1 433 1 1 1 1 44 TYR QB . 44 . HB# 1 1 433 1 2 1 1 47 TYR QD . 47 . HD# 1 1 434 1 1 1 1 44 TYR QD . 44 . HD# 1 1 434 1 2 1 1 47 TYR QD . 47 . HD# 1 1 435 1 1 1 1 44 TYR QD . 44 . HD# 1 1 435 1 2 2 2 1 PGM CN . 68 . CN 1 1 436 1 1 1 1 44 TYR QE . 44 . HE# 1 1 436 1 2 2 2 1 PGM CN . 68 . CN 1 1 437 1 1 1 1 45 GLY H . 45 . HN 1 1 437 1 2 1 1 45 GLY QA . 45 . HA# 1 1 438 1 1 1 1 45 GLY H . 45 . HN 1 1 438 1 2 1 1 46 GLN H . 46 . HN 1 1 439 1 1 1 1 45 GLY QA . 45 . HA# 1 1 439 1 2 1 1 46 GLN H . 46 . HN 1 1 440 1 1 1 1 46 GLN H . 46 . HN 1 1 440 1 2 1 1 46 GLN HA . 46 . HA 1 1 441 1 1 1 1 46 GLN H . 46 . HN 1 1 441 1 2 1 1 46 GLN QB . 46 . HB# 1 1 442 1 1 1 1 46 GLN H . 46 . HN 1 1 442 1 2 1 1 46 GLN QG . 46 . HG# 1 1 443 1 1 1 1 46 GLN H . 46 . HN 1 1 443 1 2 1 1 47 TYR H . 47 . HN 1 1 444 1 1 1 1 46 GLN H . 46 . HN 1 1 444 1 2 1 1 47 TYR QD . 47 . HD# 1 1 445 1 1 1 1 46 GLN HA . 46 . HA 1 1 445 1 2 1 1 46 GLN QB . 46 . HB# 1 1 446 1 1 1 1 46 GLN HA . 46 . HA 1 1 446 1 2 1 1 46 GLN QG . 46 . HG# 1 1 447 1 1 1 1 46 GLN HA . 46 . HA 1 1 447 1 2 1 1 47 TYR H . 47 . HN 1 1 448 1 1 1 1 46 GLN QB . 46 . HB# 1 1 448 1 2 1 1 47 TYR H . 47 . HN 1 1 449 1 1 1 1 46 GLN HE22 . 46 . HE22 1 1 449 1 2 1 1 46 GLN QG . 46 . HG# 1 1 450 1 1 1 1 46 GLN QG . 46 . HG# 1 1 450 1 2 1 1 47 TYR H . 47 . HN 1 1 451 1 1 1 1 46 GLN QG . 46 . HG# 1 1 451 1 2 1 1 47 TYR QD . 47 . HD# 1 1 452 1 1 1 1 47 TYR H . 47 . HN 1 1 452 1 2 1 1 47 TYR HA . 47 . HA 1 1 453 1 1 1 1 47 TYR H . 47 . HN 1 1 453 1 2 1 1 47 TYR HB2 . 47 . HB2 1 1 454 1 1 1 1 47 TYR H . 47 . HN 1 1 454 1 2 1 1 47 TYR HB3 . 47 . HB1 1 1 455 1 1 1 1 47 TYR H . 47 . HN 1 1 455 1 2 1 1 47 TYR QD . 47 . HD# 1 1 456 1 1 1 1 47 TYR H . 47 . HN 1 1 456 1 2 1 1 48 ILE H . 48 . HN 1 1 457 1 1 1 1 47 TYR HA . 47 . HA 1 1 457 1 2 1 1 47 TYR HB2 . 47 . HB2 1 1 458 1 1 1 1 47 TYR HA . 47 . HA 1 1 458 1 2 1 1 47 TYR HB3 . 47 . HB1 1 1 459 1 1 1 1 47 TYR HA . 47 . HA 1 1 459 1 2 1 1 47 TYR QD . 47 . HD# 1 1 460 1 1 1 1 47 TYR HA . 47 . HA 1 1 460 1 2 1 1 48 ILE H . 48 . HN 1 1 461 1 1 1 1 47 TYR HA . 47 . HA 1 1 461 1 2 1 1 53 ALA MB . 53 . HB# 1 1 462 1 1 1 1 47 TYR HB2 . 47 . HB2 1 1 462 1 2 1 1 48 ILE H . 48 . HN 1 1 463 1 1 1 1 47 TYR HB3 . 47 . HB1 1 1 463 1 2 1 1 48 ILE H . 48 . HN 1 1 464 1 1 1 1 47 TYR HB3 . 47 . HB1 1 1 464 1 2 1 1 48 ILE MD . 48 . HD1# 1 1 465 1 1 1 1 47 TYR QD . 47 . HD# 1 1 465 1 2 2 2 1 PGM CN . 68 . CN 1 1 466 1 1 1 1 47 TYR QE . 47 . HE# 1 1 466 1 2 2 2 1 PGM CN . 68 . CN 1 1 467 1 1 1 1 48 ILE H . 48 . HN 1 1 467 1 2 1 1 48 ILE HA . 48 . HA 1 1 468 1 1 1 1 48 ILE H . 48 . HN 1 1 468 1 2 1 1 48 ILE HB . 48 . HB 1 1 469 1 1 1 1 48 ILE H . 48 . HN 1 1 469 1 2 1 1 48 ILE MD . 48 . HD1# 1 1 470 1 1 1 1 48 ILE H . 48 . HN 1 1 470 1 2 1 1 48 ILE MG . 48 . HG2# 1 1 471 1 1 1 1 48 ILE H . 48 . HN 1 1 471 1 2 1 1 49 ARG H . 49 . HN 1 1 472 1 1 1 1 48 ILE HA . 48 . HA 1 1 472 1 2 1 1 48 ILE HB . 48 . HB 1 1 473 1 1 1 1 48 ILE HA . 48 . HA 1 1 473 1 2 1 1 48 ILE MD . 48 . HD1# 1 1 474 1 1 1 1 48 ILE HA . 48 . HA 1 1 474 1 2 1 1 48 ILE MG . 48 . HG2# 1 1 475 1 1 1 1 48 ILE HA . 48 . HA 1 1 475 1 2 1 1 49 ARG H . 49 . HN 1 1 476 1 1 1 1 48 ILE HA . 48 . HA 1 1 476 1 2 1 1 50 SER H . 50 . HN 1 1 477 1 1 1 1 48 ILE HA . 48 . HA 1 1 477 1 2 1 1 53 ALA MB . 53 . HB# 1 1 478 1 1 1 1 48 ILE HB . 48 . HB 1 1 478 1 2 1 1 48 ILE MD . 48 . HD1# 1 1 479 1 1 1 1 48 ILE MD . 48 . HD1# 1 1 479 1 2 1 1 48 ILE MG . 48 . HG2# 1 1 480 1 1 1 1 48 ILE MD . 48 . HD1# 1 1 480 1 2 1 1 65 PRO QD . 65 . HD# 1 1 481 1 1 1 1 48 ILE MG . 48 . HG2# 1 1 481 1 2 1 1 65 PRO QD . 65 . HD# 1 1 482 1 1 1 1 49 ARG H . 49 . HN 1 1 482 1 2 1 1 49 ARG HA . 49 . HA 1 1 483 1 1 1 1 49 ARG H . 49 . HN 1 1 483 1 2 1 1 49 ARG QB . 49 . HB# 1 1 484 1 1 1 1 49 ARG H . 49 . HN 1 1 484 1 2 1 1 49 ARG QD . 49 . HD# 1 1 485 1 1 1 1 49 ARG H . 49 . HN 1 1 485 1 2 1 1 49 ARG QG . 49 . HG# 1 1 486 1 1 1 1 49 ARG H . 49 . HN 1 1 486 1 2 1 1 50 SER H . 50 . HN 1 1 487 1 1 1 1 49 ARG HA . 49 . HA 1 1 487 1 2 1 1 49 ARG QD . 49 . HD# 1 1 488 1 1 1 1 49 ARG HA . 49 . HA 1 1 488 1 2 1 1 49 ARG QG . 49 . HG# 1 1 489 1 1 1 1 49 ARG HA . 49 . HA 1 1 489 1 2 1 1 50 SER H . 50 . HN 1 1 490 1 1 1 1 49 ARG QB . 49 . HB# 1 1 490 1 2 1 1 49 ARG QD . 49 . HD# 1 1 491 1 1 1 1 49 ARG QD . 49 . HD# 1 1 491 1 2 1 1 49 ARG HE . 49 . HE 1 1 492 1 1 1 1 49 ARG HE . 49 . HE 1 1 492 1 2 1 1 49 ARG QG . 49 . HG# 1 1 493 1 1 1 1 50 SER H . 50 . HN 1 1 493 1 2 1 1 50 SER HB2 . 50 . HB2 1 1 494 1 1 1 1 50 SER H . 50 . HN 1 1 494 1 2 1 1 50 SER HB3 . 50 . HB1 1 1 495 1 1 1 1 50 SER HA . 50 . HA 1 1 495 1 2 1 1 50 SER HB2 . 50 . HB2 1 1 496 1 1 1 1 50 SER HA . 50 . HA 1 1 496 1 2 1 1 50 SER HB3 . 50 . HB1 1 1 497 1 1 1 1 50 SER HA . 50 . HA 1 1 497 1 2 1 1 51 PRO QD . 51 . HD# 1 1 498 1 1 1 1 51 PRO HA . 51 . HA 1 1 498 1 2 1 1 51 PRO QD . 51 . HD# 1 1 499 1 1 1 1 51 PRO HA . 51 . HA 1 1 499 1 2 1 1 51 PRO QG . 51 . HG# 1 1 500 1 1 1 1 51 PRO HA . 51 . HA 1 1 500 1 2 1 1 52 HIS H . 52 . HN 1 1 501 1 1 1 1 51 PRO QB . 51 . HB# 1 1 501 1 2 1 1 51 PRO QD . 51 . HD# 1 1 502 1 1 1 1 51 PRO QB . 51 . HB# 1 1 502 1 2 1 1 52 HIS H . 52 . HN 1 1 503 1 1 1 1 51 PRO QD . 51 . HD# 1 1 503 1 2 1 1 52 HIS H . 52 . HN 1 1 504 1 1 1 1 51 PRO QD . 51 . HD# 1 1 504 1 2 1 1 52 HIS HD2 . 52 . HD2 1 1 505 1 1 1 1 51 PRO QG . 51 . HG# 1 1 505 1 2 1 1 52 HIS H . 52 . HN 1 1 506 1 1 1 1 51 PRO QG . 51 . HG# 1 1 506 1 2 1 1 52 HIS HD2 . 52 . HD2 1 1 507 1 1 1 1 51 PRO QG . 51 . HG# 1 1 507 1 2 1 1 52 HIS HE1 . 52 . HE1 1 1 508 1 1 1 1 52 HIS H . 52 . HN 1 1 508 1 2 1 1 52 HIS HA . 52 . HA 1 1 509 1 1 1 1 52 HIS H . 52 . HN 1 1 509 1 2 1 1 52 HIS QB . 52 . HB# 1 1 510 1 1 1 1 52 HIS H . 52 . HN 1 1 510 1 2 1 1 52 HIS HD2 . 52 . HD2 1 1 511 1 1 1 1 52 HIS HA . 52 . HA 1 1 511 1 2 1 1 53 ALA H . 53 . HN 1 1 512 1 1 1 1 52 HIS HA . 52 . HA 1 1 512 1 2 1 1 55 ASP H . 55 . HN 1 1 513 1 1 1 1 52 HIS HA . 52 . HA 1 1 513 1 2 1 1 55 ASP HB2 . 55 . HB2 1 1 514 1 1 1 1 52 HIS HA . 52 . HA 1 1 514 1 2 1 1 55 ASP HB3 . 55 . HB1 1 1 515 1 1 1 1 52 HIS QB . 52 . HB# 1 1 515 1 2 1 1 52 HIS HD2 . 52 . HD2 1 1 516 1 1 1 1 53 ALA H . 53 . HN 1 1 516 1 2 1 1 53 ALA HA . 53 . HA 1 1 517 1 1 1 1 53 ALA H . 53 . HN 1 1 517 1 2 1 1 53 ALA MB . 53 . HB# 1 1 518 1 1 1 1 53 ALA H . 53 . HN 1 1 518 1 2 1 1 54 ARG H . 54 . HN 1 1 519 1 1 1 1 53 ALA HA . 53 . HA 1 1 519 1 2 1 1 54 ARG H . 54 . HN 1 1 520 1 1 1 1 53 ALA HA . 53 . HA 1 1 520 1 2 1 1 56 THR H . 56 . HN 1 1 521 1 1 1 1 53 ALA HA . 53 . HA 1 1 521 1 2 1 1 56 THR HG1 . 56 . HG1 1 1 522 1 1 1 1 53 ALA MB . 53 . HB# 1 1 522 1 2 1 1 54 ARG H . 54 . HN 1 1 523 1 1 1 1 54 ARG H . 54 . HN 1 1 523 1 2 1 1 54 ARG HA . 54 . HA 1 1 524 1 1 1 1 54 ARG H . 54 . HN 1 1 524 1 2 1 1 54 ARG QB . 54 . HB# 1 1 525 1 1 1 1 54 ARG H . 54 . HN 1 1 525 1 2 1 1 54 ARG QD . 54 . HD# 1 1 526 1 1 1 1 54 ARG H . 54 . HN 1 1 526 1 2 1 1 54 ARG HE . 54 . HE 1 1 527 1 1 1 1 54 ARG H . 54 . HN 1 1 527 1 2 1 1 54 ARG QG . 54 . HG# 1 1 528 1 1 1 1 54 ARG H . 54 . HN 1 1 528 1 2 1 1 55 ASP H . 55 . HN 1 1 529 1 1 1 1 54 ARG HA . 54 . HA 1 1 529 1 2 1 1 54 ARG QD . 54 . HD# 1 1 530 1 1 1 1 54 ARG HA . 54 . HA 1 1 530 1 2 1 1 54 ARG QG . 54 . HG# 1 1 531 1 1 1 1 54 ARG HA . 54 . HA 1 1 531 1 2 1 1 55 ASP H . 55 . HN 1 1 532 1 1 1 1 54 ARG HA . 54 . HA 1 1 532 1 2 1 1 57 LEU H . 57 . HN 1 1 533 1 1 1 1 54 ARG HA . 54 . HA 1 1 533 1 2 1 1 57 LEU QD . 57 . HD# 1 1 534 1 1 1 1 54 ARG HA . 54 . HA 1 1 534 1 2 1 1 64 VAL QG . 64 . HG# 1 1 535 1 1 1 1 54 ARG QB . 54 . HB# 1 1 535 1 2 1 1 54 ARG QD . 54 . HD# 1 1 536 1 1 1 1 54 ARG QB . 54 . HB# 1 1 536 1 2 1 1 54 ARG HE . 54 . HE 1 1 537 1 1 1 1 54 ARG QB . 54 . HB# 1 1 537 1 2 1 1 55 ASP H . 55 . HN 1 1 538 1 1 1 1 54 ARG HE . 54 . HE 1 1 538 1 2 1 1 54 ARG QG . 54 . HG# 1 1 539 1 1 1 1 55 ASP H . 55 . HN 1 1 539 1 2 1 1 55 ASP HA . 55 . HA 1 1 540 1 1 1 1 55 ASP H . 55 . HN 1 1 540 1 2 1 1 55 ASP HB2 . 55 . HB2 1 1 541 1 1 1 1 55 ASP H . 55 . HN 1 1 541 1 2 1 1 55 ASP HB3 . 55 . HB1 1 1 542 1 1 1 1 55 ASP H . 55 . HN 1 1 542 1 2 1 1 56 THR H . 56 . HN 1 1 543 1 1 1 1 55 ASP HA . 55 . HA 1 1 543 1 2 1 1 55 ASP HB2 . 55 . HB2 1 1 544 1 1 1 1 55 ASP HA . 55 . HA 1 1 544 1 2 1 1 55 ASP HB3 . 55 . HB1 1 1 545 1 1 1 1 55 ASP HA . 55 . HA 1 1 545 1 2 1 1 56 THR H . 56 . HN 1 1 546 1 1 1 1 55 ASP HA . 55 . HA 1 1 546 1 2 1 1 58 THR H . 58 . HN 1 1 547 1 1 1 1 55 ASP HA . 55 . HA 1 1 547 1 2 1 1 58 THR HB . 58 . HB 1 1 548 1 1 1 1 55 ASP HA . 55 . HA 1 1 548 1 2 1 1 58 THR HG1 . 58 . HG1 1 1 549 1 1 1 1 55 ASP HB2 . 55 . HB2 1 1 549 1 2 1 1 56 THR H . 56 . HN 1 1 550 1 1 1 1 56 THR H . 56 . HN 1 1 550 1 2 1 1 56 THR HA . 56 . HA 1 1 551 1 1 1 1 56 THR H . 56 . HN 1 1 551 1 2 1 1 56 THR HB . 56 . HB 1 1 552 1 1 1 1 56 THR H . 56 . HN 1 1 552 1 2 1 1 56 THR HG1 . 56 . HG1 1 1 553 1 1 1 1 56 THR H . 56 . HN 1 1 553 1 2 1 1 57 LEU H . 57 . HN 1 1 554 1 1 1 1 56 THR HA . 56 . HA 1 1 554 1 2 1 1 56 THR HB . 56 . HB 1 1 555 1 1 1 1 56 THR HA . 56 . HA 1 1 555 1 2 1 1 56 THR HG1 . 56 . HG1 1 1 556 1 1 1 1 56 THR HA . 56 . HA 1 1 556 1 2 1 1 59 SER H . 59 . HN 1 1 557 1 1 1 1 56 THR HA . 56 . HA 1 1 557 1 2 1 1 59 SER HB2 . 59 . HB2 1 1 558 1 1 1 1 56 THR HB . 56 . HB 1 1 558 1 2 1 1 56 THR HG1 . 56 . HG1 1 1 559 1 1 1 1 56 THR HB . 56 . HB 1 1 559 1 2 1 1 57 LEU H . 57 . HN 1 1 560 1 1 1 1 56 THR HG1 . 56 . HG1 1 1 560 1 2 1 1 57 LEU H . 57 . HN 1 1 561 1 1 1 1 57 LEU H . 57 . HN 1 1 561 1 2 1 1 57 LEU HA . 57 . HA 1 1 562 1 1 1 1 57 LEU H . 57 . HN 1 1 562 1 2 1 1 57 LEU HB2 . 57 . HB2 1 1 563 1 1 1 1 57 LEU H . 57 . HN 1 1 563 1 2 1 1 57 LEU HB3 . 57 . HB1 1 1 564 1 1 1 1 57 LEU H . 57 . HN 1 1 564 1 2 1 1 57 LEU QD . 57 . HD# 1 1 565 1 1 1 1 57 LEU H . 57 . HN 1 1 565 1 2 1 1 57 LEU HG . 57 . HG 1 1 566 1 1 1 1 57 LEU H . 57 . HN 1 1 566 1 2 1 1 58 THR H . 58 . HN 1 1 567 1 1 1 1 57 LEU HA . 57 . HA 1 1 567 1 2 1 1 57 LEU HB2 . 57 . HB2 1 1 568 1 1 1 1 57 LEU HA . 57 . HA 1 1 568 1 2 1 1 57 LEU HB3 . 57 . HB1 1 1 569 1 1 1 1 57 LEU HA . 57 . HA 1 1 569 1 2 1 1 57 LEU QD . 57 . HD# 1 1 570 1 1 1 1 57 LEU HA . 57 . HA 1 1 570 1 2 1 1 57 LEU HG . 57 . HG 1 1 571 1 1 1 1 57 LEU HA . 57 . HA 1 1 571 1 2 1 1 58 THR H . 58 . HN 1 1 572 1 1 1 1 57 LEU HA . 57 . HA 1 1 572 1 2 1 1 60 CYS H . 60 . HN 1 1 573 1 1 1 1 57 LEU HA . 57 . HA 1 1 573 1 2 1 1 60 CYS HB2 . 60 . HB2 1 1 574 1 1 1 1 57 LEU HA . 57 . HA 1 1 574 1 2 1 1 60 CYS HB3 . 60 . HB1 1 1 575 1 1 1 1 57 LEU HA . 57 . HA 1 1 575 1 2 1 1 62 LEU QD . 62 . HD# 1 1 576 1 1 1 1 57 LEU HB2 . 57 . HB2 1 1 576 1 2 1 1 57 LEU HG . 57 . HG 1 1 577 1 1 1 1 57 LEU HB2 . 57 . HB2 1 1 577 1 2 1 1 58 THR H . 58 . HN 1 1 578 1 1 1 1 57 LEU HB3 . 57 . HB1 1 1 578 1 2 1 1 57 LEU QD . 57 . HD# 1 1 579 1 1 1 1 57 LEU HB3 . 57 . HB1 1 1 579 1 2 1 1 57 LEU HG . 57 . HG 1 1 580 1 1 1 1 57 LEU HB3 . 57 . HB1 1 1 580 1 2 1 1 58 THR H . 58 . HN 1 1 581 1 1 1 1 57 LEU QD . 57 . HD# 1 1 581 1 2 1 1 62 LEU QB . 62 . HB# 1 1 582 1 1 1 1 57 LEU QD . 57 . HD# 1 1 582 1 2 1 1 64 VAL HA . 64 . HA 1 1 583 1 1 1 1 57 LEU QD . 57 . HD# 1 1 583 1 2 1 1 64 VAL QG . 64 . HG# 1 1 584 1 1 1 1 57 LEU HG . 57 . HG 1 1 584 1 2 1 1 62 LEU QD . 62 . HD# 1 1 585 1 1 1 1 58 THR H . 58 . HN 1 1 585 1 2 1 1 58 THR HA . 58 . HA 1 1 586 1 1 1 1 58 THR H . 58 . HN 1 1 586 1 2 1 1 58 THR HB . 58 . HB 1 1 587 1 1 1 1 58 THR H . 58 . HN 1 1 587 1 2 1 1 58 THR HG1 . 58 . HG1 1 1 588 1 1 1 1 58 THR HA . 58 . HA 1 1 588 1 2 1 1 58 THR HB . 58 . HB 1 1 589 1 1 1 1 58 THR HA . 58 . HA 1 1 589 1 2 1 1 58 THR HG1 . 58 . HG1 1 1 590 1 1 1 1 58 THR HA . 58 . HA 1 1 590 1 2 1 1 61 GLY H . 61 . HN 1 1 591 1 1 1 1 58 THR HB . 58 . HB 1 1 591 1 2 1 1 58 THR HG1 . 58 . HG1 1 1 592 1 1 1 1 58 THR HG1 . 58 . HG1 1 1 592 1 2 1 1 59 SER H . 59 . HN 1 1 593 1 1 1 1 58 THR HG1 . 58 . HG1 1 1 593 1 2 1 1 64 VAL QG . 64 . HG# 1 1 594 1 1 1 1 59 SER H . 59 . HN 1 1 594 1 2 1 1 59 SER HA . 59 . HA 1 1 595 1 1 1 1 59 SER H . 59 . HN 1 1 595 1 2 1 1 59 SER HB2 . 59 . HB2 1 1 596 1 1 1 1 59 SER H . 59 . HN 1 1 596 1 2 1 1 59 SER HB3 . 59 . HB1 1 1 597 1 1 1 1 59 SER H . 59 . HN 1 1 597 1 2 1 1 60 CYS H . 60 . HN 1 1 598 1 1 1 1 59 SER HA . 59 . HA 1 1 598 1 2 1 1 59 SER HB2 . 59 . HB2 1 1 599 1 1 1 1 59 SER HA . 59 . HA 1 1 599 1 2 1 1 59 SER HB3 . 59 . HB1 1 1 600 1 1 1 1 59 SER HA . 59 . HA 1 1 600 1 2 1 1 60 CYS H . 60 . HN 1 1 601 1 1 1 1 59 SER HB2 . 59 . HB2 1 1 601 1 2 1 1 60 CYS H . 60 . HN 1 1 602 1 1 1 1 59 SER HB3 . 59 . HB1 1 1 602 1 2 1 1 60 CYS H . 60 . HN 1 1 603 1 1 1 1 60 CYS H . 60 . HN 1 1 603 1 2 1 1 60 CYS HA . 60 . HA 1 1 604 1 1 1 1 60 CYS H . 60 . HN 1 1 604 1 2 1 1 60 CYS HB2 . 60 . HB2 1 1 605 1 1 1 1 60 CYS H . 60 . HN 1 1 605 1 2 1 1 60 CYS HB3 . 60 . HB1 1 1 606 1 1 1 1 60 CYS H . 60 . HN 1 1 606 1 2 1 1 61 GLY H . 61 . HN 1 1 607 1 1 1 1 60 CYS HA . 60 . HA 1 1 607 1 2 1 1 60 CYS HB2 . 60 . HB2 1 1 608 1 1 1 1 60 CYS HA . 60 . HA 1 1 608 1 2 1 1 60 CYS HB3 . 60 . HB1 1 1 609 1 1 1 1 60 CYS HA . 60 . HA 1 1 609 1 2 1 1 61 GLY H . 61 . HN 1 1 610 1 1 1 1 60 CYS HB2 . 60 . HB2 1 1 610 1 2 1 1 61 GLY H . 61 . HN 1 1 611 1 1 1 1 60 CYS HB2 . 60 . HB2 1 1 611 1 2 1 1 62 LEU QD . 62 . HD# 1 1 612 1 1 1 1 60 CYS HB2 . 60 . HB2 1 1 612 1 2 1 1 62 LEU HG . 62 . HG 1 1 613 1 1 1 1 60 CYS HB3 . 60 . HB1 1 1 613 1 2 1 1 61 GLY H . 61 . HN 1 1 614 1 1 1 1 60 CYS HB3 . 60 . HB1 1 1 614 1 2 1 1 62 LEU QD . 62 . HD# 1 1 615 1 1 1 1 60 CYS HB3 . 60 . HB1 1 1 615 1 2 1 1 62 LEU HG . 62 . HG 1 1 616 1 1 1 1 61 GLY H . 61 . HN 1 1 616 1 2 1 1 61 GLY QA . 61 . HA# 1 1 617 1 1 1 1 61 GLY H . 61 . HN 1 1 617 1 2 1 1 62 LEU H . 62 . HN 1 1 618 1 1 1 1 61 GLY QA . 61 . HA# 1 1 618 1 2 1 1 62 LEU H . 62 . HN 1 1 619 1 1 1 1 62 LEU H . 62 . HN 1 1 619 1 2 1 1 62 LEU HA . 62 . HA 1 1 620 1 1 1 1 62 LEU H . 62 . HN 1 1 620 1 2 1 1 62 LEU QB . 62 . HB# 1 1 621 1 1 1 1 62 LEU H . 62 . HN 1 1 621 1 2 1 1 62 LEU QD . 62 . HD# 1 1 622 1 1 1 1 62 LEU H . 62 . HN 1 1 622 1 2 1 1 62 LEU HG . 62 . HG 1 1 623 1 1 1 1 62 LEU H . 62 . HN 1 1 623 1 2 1 1 63 ALA H . 63 . HN 1 1 624 1 1 1 1 62 LEU HA . 62 . HA 1 1 624 1 2 1 1 62 LEU QD . 62 . HD# 1 1 625 1 1 1 1 62 LEU HA . 62 . HA 1 1 625 1 2 1 1 62 LEU HG . 62 . HG 1 1 626 1 1 1 1 62 LEU HA . 62 . HA 1 1 626 1 2 1 1 63 ALA H . 63 . HN 1 1 627 1 1 1 1 62 LEU QB . 62 . HB# 1 1 627 1 2 1 1 63 ALA H . 63 . HN 1 1 628 1 1 1 1 62 LEU QD . 62 . HD# 1 1 628 1 2 1 1 63 ALA H . 63 . HN 1 1 629 1 1 1 1 62 LEU HG . 62 . HG 1 1 629 1 2 1 1 63 ALA H . 63 . HN 1 1 630 1 1 1 1 63 ALA H . 63 . HN 1 1 630 1 2 1 1 63 ALA HA . 63 . HA 1 1 631 1 1 1 1 63 ALA H . 63 . HN 1 1 631 1 2 1 1 63 ALA MB . 63 . HB# 1 1 632 1 1 1 1 63 ALA HA . 63 . HA 1 1 632 1 2 1 1 64 VAL H . 64 . HN 1 1 633 1 1 1 1 63 ALA MB . 63 . HB# 1 1 633 1 2 1 1 64 VAL H . 64 . HN 1 1 634 1 1 1 1 64 VAL H . 64 . HN 1 1 634 1 2 1 1 64 VAL HA . 64 . HA 1 1 635 1 1 1 1 64 VAL H . 64 . HN 1 1 635 1 2 1 1 64 VAL HB . 64 . HB 1 1 636 1 1 1 1 64 VAL H . 64 . HN 1 1 636 1 2 1 1 64 VAL QG . 64 . HG# 1 1 637 1 1 1 1 64 VAL HA . 64 . HA 1 1 637 1 2 1 1 64 VAL HB . 64 . HB 1 1 638 1 1 1 1 64 VAL HA . 64 . HA 1 1 638 1 2 1 1 64 VAL QG . 64 . HG# 1 1 639 1 1 1 1 64 VAL HA . 64 . HA 1 1 639 1 2 1 1 65 PRO QD . 65 . HD# 1 1 640 1 1 1 1 65 PRO HA . 65 . HA 1 1 640 1 2 1 1 65 PRO QD . 65 . HD# 1 1 641 1 1 1 1 65 PRO HA . 65 . HA 1 1 641 1 2 1 1 65 PRO QG . 65 . HG# 1 1 642 1 1 1 1 65 PRO HA . 65 . HA 1 1 642 1 2 1 1 66 HIS H . 66 . HN 1 1 643 1 1 1 1 65 PRO QB . 65 . HB# 1 1 643 1 2 1 1 66 HIS H . 66 . HN 1 1 644 1 1 1 1 65 PRO QG . 65 . HG# 1 1 644 1 2 1 1 66 HIS H . 66 . HN 1 1 645 1 1 1 1 65 PRO QG . 65 . HG# 1 1 645 1 2 1 1 66 HIS HE1 . 66 . HE1 1 1 646 1 1 1 1 66 HIS H . 66 . HN 1 1 646 1 2 1 1 66 HIS QB . 66 . HB# 1 1 647 1 1 1 1 66 HIS H . 66 . HN 1 1 647 1 2 1 1 67 CYS H . 67 . HN 1 1 648 1 1 1 1 66 HIS QB . 66 . HB# 1 1 648 1 2 1 1 66 HIS HD2 . 66 . HD2 1 1 649 1 1 1 1 66 HIS QB . 66 . HB# 1 1 649 1 2 1 1 66 HIS HE1 . 66 . HE1 1 1 650 1 1 1 1 67 CYS H . 67 . HN 1 1 650 1 2 1 1 67 CYS HA . 67 . HA 1 1 651 1 1 1 1 67 CYS H . 67 . HN 1 1 651 1 2 1 1 67 CYS QB . 67 . HB# 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.6 1.8 3.4 1 1 2 1 . . . . . 3.0 1.8 4.2 1 1 3 1 . . . . . 2.7 1.8 3.6 1 1 4 1 . . . . . 2.7 1.8 3.6 1 1 5 1 . . . . . 3.5 1.8 5.2 1 1 6 1 . . . . . 2.3 1.8 2.8 1 1 7 1 . . . . . 3.2 1.8 4.6 1 1 8 1 . . . . . 3.6 1.8 5.4 1 1 9 1 . . . . . 2.7 1.8 3.6 1 1 10 1 . . . . . 2.7 1.8 3.6 1 1 11 1 . . . . . 2.7 1.8 3.6 1 1 12 1 . . . . . 3.2 1.8 4.6 1 1 13 1 . . . . . 3.2 1.8 4.6 1 1 14 1 . . . . . 2.3 1.8 2.8 1 1 15 1 . . . . . 2.8 1.8 3.8 1 1 16 1 . . . . . 2.3 1.8 2.8 1 1 17 1 . . . . . 3.9 1.8 6.0 1 1 18 1 . . . . . 2.7 1.8 3.6 1 1 19 1 . . . . . 3.9 1.8 6.0 1 1 20 1 . . . . . 2.8 1.8 3.8 1 1 21 1 . . . . . 4.4 1.8 7.0 1 1 22 1 . . . . . 4.0 1.8 6.2 1 1 23 1 . . . . . 4.0 1.8 6.2 1 1 24 1 . . . . . 2.7 1.8 3.6 1 1 25 1 . . . . . 2.3 1.8 2.8 1 1 26 1 . . . . . 2.7 1.8 3.6 1 1 27 1 . . . . . 2.2 1.7 2.7 1 1 28 1 . . . . . 2.3 1.8 2.8 1 1 29 1 . . . . . 2.3 1.8 2.8 1 1 30 1 . . . . . 2.7 1.8 3.6 1 1 31 1 . . . . . 3.2 1.8 4.6 1 1 32 1 . . . . . 2.6 1.8 3.4 1 1 33 1 . . . . . 3.7 1.8 5.6 1 1 34 1 . . . . . 2.3 1.8 2.8 1 1 35 1 . . . . . 2.7 1.8 3.6 1 1 36 1 . . . . . 2.7 1.8 3.6 1 1 37 1 . . . . . 2.3 1.8 2.8 1 1 38 1 . . . . . 2.7 1.8 3.6 1 1 39 1 . . . . . 2.7 1.8 3.6 1 1 40 1 . . . . . 2.7 1.8 3.6 1 1 41 1 . . . . . 2.7 1.8 3.6 1 1 42 1 . . . . . 2.6 1.8 3.4 1 1 43 1 . . . . . 3.6 1.8 5.4 1 1 44 1 . . . . . 2.7 1.8 3.6 1 1 45 1 . . . . . 2.7 1.8 3.6 1 1 46 1 . . . . . 2.3 1.8 2.8 1 1 47 1 . . . . . 3.2 1.8 4.6 1 1 48 1 . . . . . 2.7 1.8 3.6 1 1 49 1 . . . . . 2.3 1.8 2.8 1 1 50 1 . . . . . 3.6 1.8 5.4 1 1 51 1 . . . . . 2.8 1.8 3.8 1 1 52 1 . . . . . 3.2 1.8 4.6 1 1 53 1 . . . . . 2.8 1.8 3.8 1 1 54 1 . . . . . 3.2 1.8 4.6 1 1 55 1 . . . . . 3.2 1.8 4.6 1 1 56 1 . . . . . 3.2 1.8 4.6 1 1 57 1 . . . . . 4.0 1.8 6.2 1 1 58 1 . . . . . 4.0 1.8 6.2 1 1 59 1 . . . . . 4.4 1.8 7.0 1 1 60 1 . . . . . 4.4 1.8 7.0 1 1 61 1 . . . . . 2.7 1.8 3.6 1 1 62 1 . . . . . 3.9 1.8 6.0 1 1 63 1 . . . . . 2.2 1.7 2.7 1 1 64 1 . . . . . 3.1 1.8 4.4 1 1 65 1 . . . . . 2.6 1.8 3.4 1 1 66 1 . . . . . 2.8 1.8 3.8 1 1 67 1 . . . . . 3.2 1.8 4.6 1 1 68 1 . . . . . 2.2 1.7 2.7 1 1 69 1 . . . . . 2.3 1.8 2.8 1 1 70 1 . . . . . 2.8 1.8 3.8 1 1 71 1 . . . . . 2.7 1.8 3.6 1 1 72 1 . . . . . 2.3 1.8 2.8 1 1 73 1 . . . . . 2.8 1.8 3.8 1 1 74 1 . . . . . 2.6 1.8 3.4 1 1 75 1 . . . . . 3.2 1.8 4.6 1 1 76 1 . . . . . 3.2 1.8 4.6 1 1 77 1 . . . . . 2.8 1.8 3.8 1 1 78 1 . . . . . 3.2 1.8 4.6 1 1 79 1 . . . . . 3.2 1.8 4.6 1 1 80 1 . . . . . 3.2 1.8 4.6 1 1 81 1 . . . . . 2.3 1.8 2.8 1 1 82 1 . . . . . 2.6 1.8 3.4 1 1 83 1 . . . . . 2.3 1.8 2.8 1 1 84 1 . . . . . 2.7 1.8 3.6 1 1 85 1 . . . . . 2.7 1.8 3.6 1 1 86 1 . . . . . 3.2 1.8 4.6 1 1 87 1 . . . . . 2.7 1.8 3.6 1 1 88 1 . . . . . 2.8 1.8 3.8 1 1 89 1 . . . . . 2.7 1.8 3.6 1 1 90 1 . . . . . 2.8 1.8 3.8 1 1 91 1 . . . . . 2.2 1.7 2.7 1 1 92 1 . . . . . 2.8 1.8 3.8 1 1 93 1 . . . . . 2.3 1.8 2.8 1 1 94 1 . . . . . 2.6 1.8 3.4 1 1 95 1 . . . . . 2.7 1.8 3.6 1 1 96 1 . . . . . 3.2 1.8 4.6 1 1 97 1 . . . . . 3.9 1.8 6.0 1 1 98 1 . . . . . 3.5 1.8 5.2 1 1 99 1 . . . . . 2.8 1.8 3.8 1 1 100 1 . . . . . 4.4 1.8 7.0 1 1 101 1 . . . . . 4.0 1.8 6.2 1 1 102 1 . . . . . 2.2 1.7 2.7 1 1 103 1 . . . . . 2.6 1.8 3.4 1 1 104 1 . . . . . 2.3 1.8 2.8 1 1 105 1 . . . . . 2.3 1.8 2.8 1 1 106 1 . . . . . 2.3 1.8 2.8 1 1 107 1 . . . . . 2.8 1.8 3.8 1 1 108 1 . . . . . 2.3 1.8 2.8 1 1 109 1 . . . . . 2.8 1.8 3.8 1 1 110 1 . . . . . 2.3 1.8 2.8 1 1 111 1 . . . . . 2.7 1.8 3.6 1 1 112 1 . . . . . 2.3 1.8 2.8 1 1 113 1 . . . . . 2.8 1.8 3.8 1 1 114 1 . . . . . 2.8 1.8 3.8 1 1 115 1 . . . . . 3.2 1.8 4.6 1 1 116 1 . . . . . 3.3 1.8 4.8 1 1 117 1 . . . . . 2.8 1.8 3.8 1 1 118 1 . . . . . 3.3 1.8 4.8 1 1 119 1 . . . . . 2.7 1.8 3.6 1 1 120 1 . . . . . 2.8 1.8 3.8 1 1 121 1 . . . . . 3.2 1.8 4.6 1 1 122 1 . . . . . 3.2 1.8 4.6 1 1 123 1 . . . . . 2.3 1.8 2.8 1 1 124 1 . . . . . 2.7 1.8 3.6 1 1 125 1 . . . . . 3.2 1.8 4.6 1 1 126 1 . . . . . 2.8 1.8 3.8 1 1 127 1 . . . . . 2.7 1.8 3.6 1 1 128 1 . . . . . 2.7 1.8 3.6 1 1 129 1 . . . . . 3.3 1.8 4.8 1 1 130 1 . . . . . 3.2 1.8 4.6 1 1 131 1 . . . . . 4.0 1.8 6.2 1 1 132 1 . . . . . 3.2 1.8 4.6 1 1 133 1 . . . . . 3.7 1.8 5.6 1 1 134 1 . . . . . 3.2 1.8 4.6 1 1 135 1 . . . . . 4.0 1.8 6.2 1 1 136 1 . . . . . 4.4 1.8 7.0 1 1 137 1 . . . . . 2.3 1.8 2.8 1 1 138 1 . . . . . 2.8 1.8 3.8 1 1 139 1 . . . . . 2.7 1.8 3.6 1 1 140 1 . . . . . 2.7 1.8 3.6 1 1 141 1 . . . . . 3.2 1.8 4.6 1 1 142 1 . . . . . 2.3 1.8 2.8 1 1 143 1 . . . . . 2.7 1.8 3.6 1 1 144 1 . . . . . 3.2 1.8 4.6 1 1 145 1 . . . . . 2.7 1.8 3.6 1 1 146 1 . . . . . 2.7 1.8 3.6 1 1 147 1 . . . . . 2.3 1.8 2.8 1 1 148 1 . . . . . 2.7 1.8 3.6 1 1 149 1 . . . . . 3.2 1.8 4.6 1 1 150 1 . . . . . 4.0 1.8 6.2 1 1 151 1 . . . . . 4.4 1.8 7.0 1 1 152 1 . . . . . 3.5 1.8 5.2 1 1 153 1 . . . . . 3.5 1.8 5.2 1 1 154 1 . . . . . 2.7 1.8 3.6 1 1 155 1 . . . . . 2.8 1.8 3.8 1 1 156 1 . . . . . 2.3 1.8 2.8 1 1 157 1 . . . . . 2.3 1.8 2.8 1 1 158 1 . . . . . 2.8 1.8 3.8 1 1 159 1 . . . . . 2.7 1.8 3.6 1 1 160 1 . . . . . 2.6 1.8 3.4 1 1 161 1 . . . . . 2.8 1.8 3.8 1 1 162 1 . . . . . 2.3 1.8 2.8 1 1 163 1 . . . . . 2.8 1.8 3.8 1 1 164 1 . . . . . 3.2 1.8 4.6 1 1 165 1 . . . . . 2.7 1.8 3.6 1 1 166 1 . . . . . 3.2 1.8 4.6 1 1 167 1 . . . . . 3.6 1.8 5.4 1 1 168 1 . . . . . 3.1 1.8 4.4 1 1 169 1 . . . . . 2.3 1.8 2.8 1 1 170 1 . . . . . 3.1 1.8 4.4 1 1 171 1 . . . . . 2.7 1.8 3.6 1 1 172 1 . . . . . 2.3 1.8 2.8 1 1 173 1 . . . . . 3.2 1.8 4.6 1 1 174 1 . . . . . 2.8 1.8 3.8 1 1 175 1 . . . . . 2.3 1.8 2.8 1 1 176 1 . . . . . 2.3 1.8 2.8 1 1 177 1 . . . . . 2.7 1.8 3.6 1 1 178 1 . . . . . 3.0 1.8 4.2 1 1 179 1 . . . . . 2.7 1.8 3.6 1 1 180 1 . . . . . 2.3 1.8 2.8 1 1 181 1 . . . . . 2.3 1.8 2.8 1 1 182 1 . . . . . 2.7 1.8 3.6 1 1 183 1 . . . . . 2.7 1.8 3.6 1 1 184 1 . . . . . 2.3 1.8 2.8 1 1 185 1 . . . . . 2.3 1.8 2.8 1 1 186 1 . . . . . 2.7 1.8 3.6 1 1 187 1 . . . . . 2.7 1.8 3.6 1 1 188 1 . . . . . 2.3 1.8 2.8 1 1 189 1 . . . . . 2.6 1.8 3.4 1 1 190 1 . . . . . 2.6 1.8 3.4 1 1 191 1 . . . . . 2.7 1.8 3.6 1 1 192 1 . . . . . 2.3 1.8 2.8 1 1 193 1 . . . . . 2.7 1.8 3.6 1 1 194 1 . . . . . 2.7 1.8 3.6 1 1 195 1 . . . . . 2.7 1.8 3.6 1 1 196 1 . . . . . 2.7 1.8 3.6 1 1 197 1 . . . . . 2.2 1.7 2.7 1 1 198 1 . . . . . 2.3 1.8 2.8 1 1 199 1 . . . . . 2.7 1.8 3.6 1 1 200 1 . . . . . 2.3 1.8 2.8 1 1 201 1 . . . . . 2.6 1.8 3.4 1 1 202 1 . . . . . 2.7 1.8 3.6 1 1 203 1 . . . . . 2.7 1.8 3.6 1 1 204 1 . . . . . 2.7 1.8 3.6 1 1 205 1 . . . . . 2.7 1.8 3.6 1 1 206 1 . . . . . 2.3 1.8 2.8 1 1 207 1 . . . . . 2.3 1.8 2.8 1 1 208 1 . . . . . 3.1 1.8 4.4 1 1 209 1 . . . . . 3.1 1.8 4.4 1 1 210 1 . . . . . 2.7 1.8 3.6 1 1 211 1 . . . . . 2.2 1.7 2.7 1 1 212 1 . . . . . 2.3 1.8 2.8 1 1 213 1 . . . . . 2.6 1.8 3.4 1 1 214 1 . . . . . 2.7 1.8 3.6 1 1 215 1 . . . . . 2.2 1.7 2.7 1 1 216 1 . . . . . 2.6 1.8 3.4 1 1 217 1 . . . . . 3.1 1.8 4.4 1 1 218 1 . . . . . 3.1 1.8 4.4 1 1 219 1 . . . . . 2.3 1.8 2.8 1 1 220 1 . . . . . 3.1 1.8 4.4 1 1 221 1 . . . . . 3.1 1.8 4.4 1 1 222 1 . . . . . 2.6 1.8 3.4 1 1 223 1 . . . . . 2.7 1.8 3.6 1 1 224 1 . . . . . 2.8 1.8 3.8 1 1 225 1 . . . . . 2.3 1.8 2.8 1 1 226 1 . . . . . 3.1 1.8 4.4 1 1 227 1 . . . . . 2.7 1.8 3.6 1 1 228 1 . . . . . 2.2 1.7 2.7 1 1 229 1 . . . . . 2.3 1.8 2.8 1 1 230 1 . . . . . 3.2 1.8 4.6 1 1 231 1 . . . . . 2.7 1.8 3.6 1 1 232 1 . . . . . 2.3 1.8 2.8 1 1 233 1 . . . . . 3.2 1.8 4.6 1 1 234 1 . . . . . 2.7 1.8 3.6 1 1 235 1 . . . . . 2.6 1.8 3.4 1 1 236 1 . . . . . 2.7 1.8 3.6 1 1 237 1 . . . . . 2.7 1.8 3.6 1 1 238 1 . . . . . 3.5 1.8 5.2 1 1 239 1 . . . . . 3.5 1.8 5.2 1 1 240 1 . . . . . 2.3 1.8 2.8 1 1 241 1 . . . . . 2.7 1.8 3.6 1 1 242 1 . . . . . 3.2 1.8 4.6 1 1 243 1 . . . . . 3.5 1.8 5.2 1 1 244 1 . . . . . 3.9 1.8 6.0 1 1 245 1 . . . . . 3.2 1.8 4.6 1 1 246 1 . . . . . 3.2 1.8 4.6 1 1 247 1 . . . . . 3.2 1.8 4.6 1 1 248 1 . . . . . 2.8 1.8 3.8 1 1 249 1 . . . . . 4.0 1.8 6.2 1 1 250 1 . . . . . 4.0 1.8 6.2 1 1 251 1 . . . . . 3.5 1.8 5.2 1 1 252 1 . . . . . 2.2 1.7 2.7 1 1 253 1 . . . . . 2.8 1.8 3.8 1 1 254 1 . . . . . 2.7 1.8 3.6 1 1 255 1 . . . . . 2.7 1.8 3.6 1 1 256 1 . . . . . 2.3 1.8 2.8 1 1 257 1 . . . . . 2.7 1.8 3.6 1 1 258 1 . . . . . 2.7 1.8 3.6 1 1 259 1 . . . . . 2.3 1.8 2.8 1 1 260 1 . . . . . 2.6 1.8 3.4 1 1 261 1 . . . . . 2.7 1.8 3.6 1 1 262 1 . . . . . 2.7 1.8 3.6 1 1 263 1 . . . . . 2.7 1.8 3.6 1 1 264 1 . . . . . 2.7 1.8 3.6 1 1 265 1 . . . . . 2.7 1.8 3.6 1 1 266 1 . . . . . 3.2 1.8 4.6 1 1 267 1 . . . . . 2.8 1.8 3.8 1 1 268 1 . . . . . 3.2 1.8 4.6 1 1 269 1 . . . . . 3.2 1.8 4.6 1 1 270 1 . . . . . 2.8 1.8 3.8 1 1 271 1 . . . . . 3.2 1.8 4.6 1 1 272 1 . . . . . 3.3 1.8 4.8 1 1 273 1 . . . . . 2.3 1.8 2.8 1 1 274 1 . . . . . 2.3 1.8 2.8 1 1 275 1 . . . . . 3.2 1.8 4.6 1 1 276 1 . . . . . 2.7 1.8 3.6 1 1 277 1 . . . . . 2.7 1.8 3.6 1 1 278 1 . . . . . 2.7 1.8 3.6 1 1 279 1 . . . . . 3.2 1.8 4.6 1 1 280 1 . . . . . 2.2 1.7 2.7 1 1 281 1 . . . . . 2.8 1.8 3.8 1 1 282 1 . . . . . 2.3 1.8 2.8 1 1 283 1 . . . . . 2.6 1.8 3.4 1 1 284 1 . . . . . 2.8 1.8 3.8 1 1 285 1 . . . . . 3.2 1.8 4.6 1 1 286 1 . . . . . 3.2 1.8 4.6 1 1 287 1 . . . . . 2.7 1.8 3.6 1 1 288 1 . . . . . 2.6 1.8 3.4 1 1 289 1 . . . . . 2.7 1.8 3.6 1 1 290 1 . . . . . 2.3 1.8 2.8 1 1 291 1 . . . . . 2.7 1.8 3.6 1 1 292 1 . . . . . 2.7 1.8 3.6 1 1 293 1 . . . . . 2.7 1.8 3.6 1 1 294 1 . . . . . 2.7 1.8 3.6 1 1 295 1 . . . . . 2.7 1.8 3.6 1 1 296 1 . . . . . 2.3 1.8 2.8 1 1 297 1 . . . . . 3.1 1.8 4.4 1 1 298 1 . . . . . 3.9 1.8 6.0 1 1 299 1 . . . . . 2.7 1.8 3.6 1 1 300 1 . . . . . 2.7 1.8 3.6 1 1 301 1 . . . . . 2.7 1.8 3.6 1 1 302 1 . . . . . 2.7 1.8 3.6 1 1 303 1 . . . . . 2.3 1.8 2.8 1 1 304 1 . . . . . 2.8 1.8 3.8 1 1 305 1 . . . . . 2.3 1.8 2.8 1 1 306 1 . . . . . 2.3 1.8 2.8 1 1 307 1 . . . . . 2.8 1.8 3.8 1 1 308 1 . . . . . 3.1 1.8 4.4 1 1 309 1 . . . . . 2.3 1.8 2.8 1 1 310 1 . . . . . 2.7 1.8 3.6 1 1 311 1 . . . . . 2.7 1.8 3.6 1 1 312 1 . . . . . 3.5 1.8 5.2 1 1 313 1 . . . . . 3.5 1.8 5.2 1 1 314 1 . . . . . 3.2 1.8 4.6 1 1 315 1 . . . . . 3.2 1.8 4.6 1 1 316 1 . . . . . 4.4 1.8 7.0 1 1 317 1 . . . . . 4.0 1.8 6.2 1 1 318 1 . . . . . 2.3 1.8 2.8 1 1 319 1 . . . . . 2.3 1.8 2.8 1 1 320 1 . . . . . 2.7 1.8 3.6 1 1 321 1 . . . . . 2.7 1.8 3.6 1 1 322 1 . . . . . 2.2 1.7 2.7 1 1 323 1 . . . . . 2.3 1.8 2.8 1 1 324 1 . . . . . 2.6 1.8 3.4 1 1 325 1 . . . . . 2.3 1.8 2.8 1 1 326 1 . . . . . 2.7 1.8 3.6 1 1 327 1 . . . . . 2.3 1.8 2.8 1 1 328 1 . . . . . 2.6 1.8 3.4 1 1 329 1 . . . . . 2.7 1.8 3.6 1 1 330 1 . . . . . 2.7 1.8 3.6 1 1 331 1 . . . . . 3.5 1.8 5.2 1 1 332 1 . . . . . 2.7 1.8 3.6 1 1 333 1 . . . . . 3.9 1.8 6.0 1 1 334 1 . . . . . 2.7 1.8 3.6 1 1 335 1 . . . . . 2.6 1.8 3.4 1 1 336 1 . . . . . 3.5 1.8 5.2 1 1 337 1 . . . . . 2.3 1.8 2.8 1 1 338 1 . . . . . 3.5 1.8 5.2 1 1 339 1 . . . . . 3.9 1.8 6.0 1 1 340 1 . . . . . 2.6 1.8 3.4 1 1 341 1 . . . . . 2.7 1.8 3.6 1 1 342 1 . . . . . 3.5 1.8 5.2 1 1 343 1 . . . . . 3.9 1.8 6.0 1 1 344 1 . . . . . 3.9 1.8 6.0 1 1 345 1 . . . . . 2.3 1.8 2.8 1 1 346 1 . . . . . 3.5 2.0 5.0 1 1 347 1 . . . . . 4.7 1.8 7.6 1 1 348 1 . . . . . 5.1 1.8 8.4 1 1 349 1 . . . . . 4.4 1.8 7.0 1 1 350 1 . . . . . 4.4 1.8 7.0 1 1 351 1 . . . . . 4.3 1.8 6.0 1 1 352 1 . . . . . 3.9 1.8 6.0 1 1 353 1 . . . . . 4.7 1.8 7.6 1 1 354 1 . . . . . 5.1 1.8 8.4 1 1 355 1 . . . . . 3.9 1.8 6.0 1 1 356 1 . . . . . 4.4 1.8 7.0 1 1 357 1 . . . . . 2.3 1.8 2.8 1 1 358 1 . . . . . 2.3 1.8 2.8 1 1 359 1 . . . . . 3.1 1.8 4.4 1 1 360 1 . . . . . 2.7 1.8 3.6 1 1 361 1 . . . . . 2.2 1.7 2.7 1 1 362 1 . . . . . 2.3 1.8 2.8 1 1 363 1 . . . . . 2.7 1.8 3.6 1 1 364 1 . . . . . 2.3 1.8 2.8 1 1 365 1 . . . . . 3.0 1.8 4.2 1 1 366 1 . . . . . 2.3 1.8 2.8 1 1 367 1 . . . . . 2.7 1.8 3.6 1 1 368 1 . . . . . 2.6 1.8 3.4 1 1 369 1 . . . . . 2.7 1.8 3.6 1 1 370 1 . . . . . 2.6 1.8 3.4 1 1 371 1 . . . . . 3.9 1.8 6.0 1 1 372 1 . . . . . 2.3 1.8 2.8 1 1 373 1 . . . . . 3.9 1.8 6.0 1 1 374 1 . . . . . 2.7 1.8 3.6 1 1 375 1 . . . . . 4.0 1.8 6.2 1 1 376 1 . . . . . 2.2 1.7 2.7 1 1 377 1 . . . . . 2.8 1.8 3.8 1 1 378 1 . . . . . 2.3 1.8 2.8 1 1 379 1 . . . . . 3.9 1.8 6.0 1 1 380 1 . . . . . 3.4 1.8 5.0 1 1 381 1 . . . . . 2.6 1.8 3.4 1 1 382 1 . . . . . 2.8 1.8 3.8 1 1 383 1 . . . . . 3.4 1.8 5.0 1 1 384 1 . . . . . 3.4 1.8 5.0 1 1 385 1 . . . . . 2.7 1.8 3.6 1 1 386 1 . . . . . 2.3 1.8 2.8 1 1 387 1 . . . . . 3.2 1.8 4.6 1 1 388 1 . . . . . 2.3 1.8 2.8 1 1 389 1 . . . . . 3.1 1.8 4.4 1 1 390 1 . . . . . 2.3 1.8 2.8 1 1 391 1 . . . . . 3.2 1.8 4.6 1 1 392 1 . . . . . 2.3 1.8 2.8 1 1 393 1 . . . . . 2.6 1.8 3.4 1 1 394 1 . . . . . 3.6 1.8 5.4 1 1 395 1 . . . . . 2.7 1.8 3.6 1 1 396 1 . . . . . 3.2 1.8 4.6 1 1 397 1 . . . . . 2.7 1.8 3.6 1 1 398 1 . . . . . 2.3 1.8 2.8 1 1 399 1 . . . . . 2.3 1.8 2.8 1 1 400 1 . . . . . 2.7 1.8 3.6 1 1 401 1 . . . . . 2.7 1.8 3.6 1 1 402 1 . . . . . 2.3 1.8 2.8 1 1 403 1 . . . . . 3.2 1.8 4.6 1 1 404 1 . . . . . 3.9 1.8 6.0 1 1 405 1 . . . . . 3.5 1.8 5.2 1 1 406 1 . . . . . 3.9 1.8 6.0 1 1 407 1 . . . . . 2.7 1.8 3.6 1 1 408 1 . . . . . 2.8 1.8 3.8 1 1 409 1 . . . . . 2.7 1.8 3.6 1 1 410 1 . . . . . 3.2 1.8 4.6 1 1 411 1 . . . . . 3.2 1.8 4.6 1 1 412 1 . . . . . 3.2 1.8 4.6 1 1 413 1 . . . . . 2.3 1.8 2.8 1 1 414 1 . . . . . 2.7 1.8 3.6 1 1 415 1 . . . . . 3.2 1.8 4.6 1 1 416 1 . . . . . 2.7 1.8 3.6 1 1 417 1 . . . . . 2.3 1.8 2.8 1 1 418 1 . . . . . 2.8 1.8 3.8 1 1 419 1 . . . . . 2.7 1.8 3.6 1 1 420 1 . . . . . 2.8 1.8 3.8 1 1 421 1 . . . . . 2.7 1.8 3.6 1 1 422 1 . . . . . 3.9 1.8 6.0 1 1 423 1 . . . . . 3.9 1.8 6.0 1 1 424 1 . . . . . 3.6 1.8 5.4 1 1 425 1 . . . . . 4.4 1.8 7.0 1 1 426 1 . . . . . 4.4 1.8 7.0 1 1 427 1 . . . . . 2.7 1.8 3.6 1 1 428 1 . . . . . 3.9 1.8 6.0 1 1 429 1 . . . . . 2.3 1.8 2.8 1 1 430 1 . . . . . 3.9 1.8 6.0 1 1 431 1 . . . . . 3.9 1.8 6.0 1 1 432 1 . . . . . 2.7 1.8 3.6 1 1 433 1 . . . . . 3.9 1.8 6.0 1 1 434 1 . . . . . 4.7 1.8 7.6 1 1 435 1 . . . . . 3.5 3.0 4.0 1 1 436 1 . . . . . 3.5 3.0 4.0 1 1 437 1 . . . . . 2.3 1.8 2.8 1 1 438 1 . . . . . 2.7 1.8 3.6 1 1 439 1 . . . . . 2.7 1.8 3.6 1 1 440 1 . . . . . 2.3 1.8 2.8 1 1 441 1 . . . . . 2.3 1.8 2.8 1 1 442 1 . . . . . 3.2 1.8 4.6 1 1 443 1 . . . . . 2.3 1.8 2.8 1 1 444 1 . . . . . 3.9 1.8 6.0 1 1 445 1 . . . . . 2.3 1.8 2.8 1 1 446 1 . . . . . 3.2 1.8 4.6 1 1 447 1 . . . . . 2.7 1.8 3.6 1 1 448 1 . . . . . 2.7 1.8 3.6 1 1 449 1 . . . . . 3.2 1.8 4.6 1 1 450 1 . . . . . 3.2 1.8 4.6 1 1 451 1 . . . . . 4.4 1.8 7.0 1 1 452 1 . . . . . 2.7 1.8 3.6 1 1 453 1 . . . . . 2.3 1.8 2.8 1 1 454 1 . . . . . 2.7 1.8 3.6 1 1 455 1 . . . . . 3.5 1.8 5.2 1 1 456 1 . . . . . 2.3 1.8 2.8 1 1 457 1 . . . . . 2.7 1.8 3.6 1 1 458 1 . . . . . 2.3 1.8 2.8 1 1 459 1 . . . . . 3.5 1.8 5.2 1 1 460 1 . . . . . 2.7 1.8 3.6 1 1 461 1 . . . . . 3.5 2.0 5.0 1 1 462 1 . . . . . 2.7 1.8 3.6 1 1 463 1 . . . . . 2.7 1.8 3.6 1 1 464 1 . . . . . 3.2 1.8 4.6 1 1 465 1 . . . . . 3.5 3.0 4.0 1 1 466 1 . . . . . 3.5 3.0 4.0 1 1 467 1 . . . . . 2.3 1.8 2.8 1 1 468 1 . . . . . 2.7 1.8 3.6 1 1 469 1 . . . . . 3.2 1.8 4.6 1 1 470 1 . . . . . 2.8 1.8 3.8 1 1 471 1 . . . . . 2.7 1.8 3.6 1 1 472 1 . . . . . 2.7 1.8 3.6 1 1 473 1 . . . . . 2.8 1.8 3.8 1 1 474 1 . . . . . 2.8 1.8 3.8 1 1 475 1 . . . . . 2.7 1.8 3.6 1 1 476 1 . . . . . 2.7 1.8 3.6 1 1 477 1 . . . . . 3.2 1.8 4.6 1 1 478 1 . . . . . 2.8 1.8 3.8 1 1 479 1 . . . . . 3.3 1.8 4.8 1 1 480 1 . . . . . 3.4 1.8 5.0 1 1 481 1 . . . . . 3.4 1.8 5.0 1 1 482 1 . . . . . 2.7 1.8 3.6 1 1 483 1 . . . . . 3.2 1.8 4.6 1 1 484 1 . . . . . 3.1 1.8 4.4 1 1 485 1 . . . . . 2.3 1.8 2.8 1 1 486 1 . . . . . 2.7 1.8 3.6 1 1 487 1 . . . . . 3.1 1.8 4.4 1 1 488 1 . . . . . 2.3 1.8 2.8 1 1 489 1 . . . . . 2.3 1.8 2.8 1 1 490 1 . . . . . 3.2 1.8 4.6 1 1 491 1 . . . . . 2.3 1.8 2.8 1 1 492 1 . . . . . 2.7 1.8 3.6 1 1 493 1 . . . . . 2.3 1.8 2.8 1 1 494 1 . . . . . 2.3 1.8 2.8 1 1 495 1 . . . . . 2.7 1.8 3.6 1 1 496 1 . . . . . 2.3 1.8 2.8 1 1 497 1 . . . . . 2.7 1.8 3.6 1 1 498 1 . . . . . 3.1 1.8 4.4 1 1 499 1 . . . . . 2.7 1.8 3.6 1 1 500 1 . . . . . 2.7 1.8 3.6 1 1 501 1 . . . . . 3.2 1.8 4.6 1 1 502 1 . . . . . 3.2 1.8 4.6 1 1 503 1 . . . . . 2.7 1.8 3.6 1 1 504 1 . . . . . 2.7 1.8 3.6 1 1 505 1 . . . . . 2.7 1.8 3.6 1 1 506 1 . . . . . 2.7 1.8 3.6 1 1 507 1 . . . . . 2.7 1.8 3.6 1 1 508 1 . . . . . 2.7 1.8 3.6 1 1 509 1 . . . . . 2.6 1.8 3.4 1 1 510 1 . . . . . 2.7 1.8 3.6 1 1 511 1 . . . . . 2.6 1.8 3.4 1 1 512 1 . . . . . 2.7 1.8 3.6 1 1 513 1 . . . . . 2.7 1.8 3.6 1 1 514 1 . . . . . 2.7 1.8 3.6 1 1 515 1 . . . . . 2.7 1.8 3.6 1 1 516 1 . . . . . 2.2 1.7 2.7 1 1 517 1 . . . . . 2.8 1.8 3.8 1 1 518 1 . . . . . 2.3 1.8 2.8 1 1 519 1 . . . . . 2.6 1.8 3.4 1 1 520 1 . . . . . 2.7 1.8 3.6 1 1 521 1 . . . . . 2.8 1.8 3.8 1 1 522 1 . . . . . 2.8 1.8 3.8 1 1 523 1 . . . . . 2.2 1.7 2.7 1 1 524 1 . . . . . 2.8 1.8 3.8 1 1 525 1 . . . . . 3.2 1.8 4.6 1 1 526 1 . . . . . 3.1 1.8 4.4 1 1 527 1 . . . . . 2.7 1.8 3.6 1 1 528 1 . . . . . 2.7 1.8 3.6 1 1 529 1 . . . . . 3.2 1.8 4.6 1 1 530 1 . . . . . 2.3 1.8 2.8 1 1 531 1 . . . . . 2.6 1.8 3.4 1 1 532 1 . . . . . 2.7 1.8 3.6 1 1 533 1 . . . . . 2.8 1.8 3.8 1 1 534 1 . . . . . 3.2 1.8 4.6 1 1 535 1 . . . . . 3.3 1.8 4.8 1 1 536 1 . . . . . 2.8 1.8 3.8 1 1 537 1 . . . . . 2.8 1.8 3.8 1 1 538 1 . . . . . 2.7 1.8 3.6 1 1 539 1 . . . . . 2.3 1.8 2.8 1 1 540 1 . . . . . 2.3 1.8 2.8 1 1 541 1 . . . . . 2.6 1.8 3.4 1 1 542 1 . . . . . 2.3 1.8 2.8 1 1 543 1 . . . . . 2.7 1.8 3.6 1 1 544 1 . . . . . 2.3 1.8 2.8 1 1 545 1 . . . . . 2.6 1.8 3.4 1 1 546 1 . . . . . 2.7 1.8 3.6 1 1 547 1 . . . . . 2.6 1.8 3.4 1 1 548 1 . . . . . 3.2 1.8 4.6 1 1 549 1 . . . . . 2.7 1.8 3.6 1 1 550 1 . . . . . 2.2 1.7 2.7 1 1 551 1 . . . . . 2.3 1.8 2.8 1 1 552 1 . . . . . 3.2 1.8 4.6 1 1 553 1 . . . . . 2.3 1.8 2.8 1 1 554 1 . . . . . 2.3 1.8 2.8 1 1 555 1 . . . . . 2.8 1.8 3.8 1 1 556 1 . . . . . 2.7 1.8 3.6 1 1 557 1 . . . . . 2.7 1.8 3.6 1 1 558 1 . . . . . 2.8 1.8 3.8 1 1 559 1 . . . . . 2.3 1.8 2.8 1 1 560 1 . . . . . 3.2 1.8 4.6 1 1 561 1 . . . . . 2.2 1.7 2.7 1 1 562 1 . . . . . 2.7 1.8 3.6 1 1 563 1 . . . . . 2.6 1.8 3.4 1 1 564 1 . . . . . 3.2 1.8 4.6 1 1 565 1 . . . . . 2.7 1.8 3.6 1 1 566 1 . . . . . 2.3 1.8 2.8 1 1 567 1 . . . . . 2.3 1.8 2.8 1 1 568 1 . . . . . 2.3 1.8 2.8 1 1 569 1 . . . . . 2.8 1.8 3.8 1 1 570 1 . . . . . 2.3 1.8 2.8 1 1 571 1 . . . . . 2.6 1.8 3.4 1 1 572 1 . . . . . 2.7 1.8 3.6 1 1 573 1 . . . . . 2.7 1.8 3.6 1 1 574 1 . . . . . 2.7 1.8 3.6 1 1 575 1 . . . . . 3.2 1.8 4.6 1 1 576 1 . . . . . 2.3 1.8 2.8 1 1 577 1 . . . . . 2.3 1.8 2.8 1 1 578 1 . . . . . 2.8 1.8 3.8 1 1 579 1 . . . . . 2.3 1.8 2.8 1 1 580 1 . . . . . 2.7 1.8 3.6 1 1 581 1 . . . . . 3.7 1.8 5.6 1 1 582 1 . . . . . 3.2 1.8 4.6 1 1 583 1 . . . . . 3.7 1.8 5.6 1 1 584 1 . . . . . 2.8 1.8 3.8 1 1 585 1 . . . . . 2.2 1.7 2.7 1 1 586 1 . . . . . 2.6 1.8 3.4 1 1 587 1 . . . . . 2.8 1.8 3.8 1 1 588 1 . . . . . 2.7 1.8 3.6 1 1 589 1 . . . . . 3.2 1.8 4.6 1 1 590 1 . . . . . 2.3 1.8 2.8 1 1 591 1 . . . . . 2.8 1.8 3.8 1 1 592 1 . . . . . 3.2 1.8 4.6 1 1 593 1 . . . . . 3.3 1.8 4.8 1 1 594 1 . . . . . 2.2 1.7 2.7 1 1 595 1 . . . . . 2.3 1.8 2.8 1 1 596 1 . . . . . 2.3 1.8 2.8 1 1 597 1 . . . . . 2.7 1.8 3.6 1 1 598 1 . . . . . 2.7 1.8 3.6 1 1 599 1 . . . . . 2.3 1.8 2.8 1 1 600 1 . . . . . 2.6 1.8 3.4 1 1 601 1 . . . . . 2.7 1.8 3.6 1 1 602 1 . . . . . 2.7 1.8 3.6 1 1 603 1 . . . . . 2.7 1.8 3.6 1 1 604 1 . . . . . 2.3 1.8 2.8 1 1 605 1 . . . . . 2.3 1.8 2.8 1 1 606 1 . . . . . 2.3 1.8 2.8 1 1 607 1 . . . . . 2.3 1.8 2.8 1 1 608 1 . . . . . 2.7 1.8 3.6 1 1 609 1 . . . . . 2.7 1.8 3.6 1 1 610 1 . . . . . 2.7 1.8 3.6 1 1 611 1 . . . . . 3.2 1.8 4.6 1 1 612 1 . . . . . 2.7 1.8 3.6 1 1 613 1 . . . . . 2.7 1.8 3.6 1 1 614 1 . . . . . 3.2 1.8 4.6 1 1 615 1 . . . . . 2.7 1.8 3.6 1 1 616 1 . . . . . 2.3 1.8 2.8 1 1 617 1 . . . . . 2.3 1.8 2.8 1 1 618 1 . . . . . 2.7 1.8 3.6 1 1 619 1 . . . . . 2.7 1.8 3.6 1 1 620 1 . . . . . 2.8 1.8 3.8 1 1 621 1 . . . . . 3.2 1.8 4.6 1 1 622 1 . . . . . 2.3 1.8 2.8 1 1 623 1 . . . . . 2.7 1.8 3.6 1 1 624 1 . . . . . 3.2 1.8 4.6 1 1 625 1 . . . . . 2.7 1.8 3.6 1 1 626 1 . . . . . 2.7 1.8 3.6 1 1 627 1 . . . . . 3.2 1.8 4.6 1 1 628 1 . . . . . 3.2 1.8 4.6 1 1 629 1 . . . . . 2.3 1.8 2.8 1 1 630 1 . . . . . 2.3 1.8 2.8 1 1 631 1 . . . . . 2.8 1.8 3.8 1 1 632 1 . . . . . 2.3 1.8 2.8 1 1 633 1 . . . . . 2.8 1.8 3.8 1 1 634 1 . . . . . 2.3 1.8 2.8 1 1 635 1 . . . . . 2.3 1.8 2.8 1 1 636 1 . . . . . 2.8 1.8 3.8 1 1 637 1 . . . . . 2.3 1.8 2.8 1 1 638 1 . . . . . 2.8 1.8 3.8 1 1 639 1 . . . . . 2.3 1.8 2.8 1 1 640 1 . . . . . 3.1 1.8 4.4 1 1 641 1 . . . . . 2.7 1.8 3.6 1 1 642 1 . . . . . 2.3 1.8 2.8 1 1 643 1 . . . . . 3.2 1.8 4.6 1 1 644 1 . . . . . 2.7 1.8 3.6 1 1 645 1 . . . . . 2.7 1.8 3.6 1 1 646 1 . . . . . 2.7 1.8 3.6 1 1 647 1 . . . . . 2.7 1.8 3.6 1 1 648 1 . . . . . 2.7 1.8 3.6 1 1 649 1 . . . . . 3.1 1.8 4.4 1 1 650 1 . . . . . 2.7 1.8 3.6 1 1 651 1 . . . . . 2.7 1.8 3.6 1 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 13 ALA C 1 1 14 ILE N 1 1 14 ILE CA 1 1 14 ILE C -80.0 -40.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 2 . 1 1 14 ILE C 1 1 15 LEU N 1 1 15 LEU CA 1 1 15 LEU C -80.0 -40.0 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 3 . 1 1 15 LEU C 1 1 16 SER N 1 1 16 SER CA 1 1 16 SER C -80.0 -40.0 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1 4 . 1 1 18 ALA C 1 1 19 LYS N 1 1 19 LYS CA 1 1 19 LYS C -200.0 -160.0 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1 5 . 1 1 22 GLY C 1 1 23 GLU N 1 1 23 GLU CA 1 1 23 GLU C -80.0 -40.0 . 22 . C . 23 . N . 23 . CA . 23 . C 1 1 6 . 1 1 23 GLU C 1 1 24 CYS N 1 1 24 CYS CA 1 1 24 CYS C -80.0 -40.0 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1 7 . 1 1 25 CYS C 1 1 26 GLY N 1 1 26 GLY CA 1 1 26 GLY C -80.0 -40.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1 8 . 1 1 26 GLY C 1 1 27 ASN N 1 1 27 ASN CA 1 1 27 ASN C -80.0 -40.0 . 26 . C . 27 . N . 27 . CA . 27 . C 1 1 9 . 1 1 27 ASN C 1 1 28 LEU N 1 1 28 LEU CA 1 1 28 LEU C -80.0 -40.0 . 27 . C . 28 . N . 28 . CA . 28 . C 1 1 10 . 1 1 28 LEU C 1 1 29 ARG N 1 1 29 ARG CA 1 1 29 ARG C -80.0 -40.0 . 28 . C . 29 . N . 29 . CA . 29 . C 1 1 11 . 1 1 29 ARG C 1 1 30 ALA N 1 1 30 ALA CA 1 1 30 ALA C -80.0 -40.0 . 29 . C . 30 . N . 30 . CA . 30 . C 1 1 12 . 1 1 30 ALA C 1 1 31 GLN N 1 1 31 GLN CA 1 1 31 GLN C -80.0 -40.0 . 30 . C . 31 . N . 31 . CA . 31 . C 1 1 13 . 1 1 36 CYS C 1 1 37 GLN N 1 1 37 GLN CA 1 1 37 GLN C -80.0 -40.0 . 36 . C . 37 . N . 37 . CA . 37 . C 1 1 14 . 1 1 37 GLN C 1 1 38 TYR N 1 1 38 TYR CA 1 1 38 TYR C -80.0 -40.0 . 37 . C . 38 . N . 38 . CA . 38 . C 1 1 15 . 1 1 38 TYR C 1 1 39 ALA N 1 1 39 ALA CA 1 1 39 ALA C -80.0 -40.0 . 38 . C . 39 . N . 39 . CA . 39 . C 1 1 16 . 1 1 40 LYS C 1 1 41 ASP N 1 1 41 ASP CA 1 1 41 ASP C -80.0 -40.0 . 40 . C . 41 . N . 41 . CA . 41 . C 1 1 17 . 1 1 46 GLN C 1 1 47 TYR N 1 1 47 TYR CA 1 1 47 TYR C -80.0 -40.0 . 46 . C . 47 . N . 47 . CA . 47 . C 1 1 18 . 1 1 47 TYR C 1 1 48 ILE N 1 1 48 ILE CA 1 1 48 ILE C -80.0 -40.0 . 47 . C . 48 . N . 48 . CA . 48 . C 1 1 19 . 1 1 48 ILE C 1 1 49 ARG N 1 1 49 ARG CA 1 1 49 ARG C -80.0 -40.0 . 48 . C . 49 . N . 49 . CA . 49 . C 1 1 20 . 1 1 49 ARG C 1 1 50 SER N 1 1 50 SER CA 1 1 50 SER C -80.0 -40.0 . 49 . C . 50 . N . 50 . CA . 50 . C 1 1 21 . 1 1 50 SER C 1 1 51 PRO N 1 1 51 PRO CA 1 1 51 PRO C -80.0 -40.0 . 50 . C . 51 . N . 51 . CA . 51 . C 1 1 22 . 1 1 51 PRO C 1 1 52 HIS N 1 1 52 HIS CA 1 1 52 HIS C -80.0 -40.0 . 51 . C . 52 . N . 52 . CA . 52 . C 1 1 23 . 1 1 55 ASP C 1 1 56 THR N 1 1 56 THR CA 1 1 56 THR C -80.0 -40.0 . 55 . C . 56 . N . 56 . CA . 56 . C 1 1 24 . 1 1 56 THR C 1 1 57 LEU N 1 1 57 LEU CA 1 1 57 LEU C -80.0 -40.0 . 56 . C . 57 . N . 57 . CA . 57 . C 1 1 25 . 1 1 57 LEU C 1 1 58 THR N 1 1 58 THR CA 1 1 58 THR C -80.0 -40.0 . 57 . C . 58 . N . 58 . CA . 58 . C 1 1 26 . 1 1 59 SER C 1 1 60 CYS N 1 1 60 CYS CA 1 1 60 CYS C -80.0 -40.0 . 59 . C . 60 . N . 60 . CA . 60 . C 1 1 27 . 1 1 61 GLY C 1 1 62 LEU N 1 1 62 LEU CA 1 1 62 LEU C -150.0 -110.0 . 61 . C . 62 . N . 62 . CA . 62 . C 1 1 28 . 1 1 62 LEU C 1 1 63 ALA N 1 1 63 ALA CA 1 1 63 ALA C -150.0 -110.0 . 62 . C . 63 . N . 63 . CA . 63 . C 1 1 29 . 1 1 63 ALA C 1 1 64 VAL N 1 1 64 VAL CA 1 1 64 VAL C -150.0 -110.0 . 63 . C . 64 . N . 64 . CA . 64 . C 1 1 30 . 1 1 10 CYS N 1 1 10 CYS CA 1 1 10 CYS CB 1 1 10 CYS SG 155.0 205.0 . 10 . N . 10 . CA . 10 . CB . 10 . SG 1 1 31 . 1 1 23 GLU N 1 1 23 GLU CA 1 1 23 GLU CB 1 1 23 GLU CG 155.0 205.0 . 23 . N . 23 . CA . 23 . CB . 23 . CG 1 1 32 . 1 1 24 CYS N 1 1 24 CYS CA 1 1 24 CYS CB 1 1 24 CYS SG 155.0 205.0 . 24 . N . 24 . CA . 24 . CB . 24 . SG 1 1 33 . 1 1 34 CYS N 1 1 34 CYS CA 1 1 34 CYS CB 1 1 34 CYS SG 155.0 205.0 . 34 . N . 34 . CA . 34 . CB . 34 . SG 1 1 34 . 1 1 41 ASP N 1 1 41 ASP CA 1 1 41 ASP CB 1 1 41 ASP CG 155.0 205.0 . 41 . N . 41 . CA . 41 . CB . 41 . CG 1 1 35 . 1 1 47 TYR N 1 1 47 TYR CA 1 1 47 TYR CB 1 1 47 TYR CG 155.0 205.0 . 47 . N . 47 . CA . 47 . CB . 47 . CG 1 1 36 . 1 1 55 ASP N 1 1 55 ASP CA 1 1 55 ASP CB 1 1 55 ASP CG 155.0 205.0 . 55 . N . 55 . CA . 55 . CB . 55 . CG 1 1 37 . 1 1 59 SER N 1 1 59 SER CA 1 1 59 SER CB 1 1 59 SER OG 155.0 205.0 . 59 . N . 59 . CA . 59 . CB . 59 . OG 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 ALA C C 13.019 5.349 -0.672 1.00 . A A . 1 ALA C 1 1 1 2 1 1 1 ALA CA C 14.228 4.584 -0.144 1.00 . A A . 1 ALA CA 1 1 1 3 1 1 1 ALA CB C 15.489 5.026 -0.870 1.00 . A A . 1 ALA CB 1 1 1 4 1 1 1 ALA H1 H 13.388 2.806 0.459 1.00 . A A . 1 ALA H1 1 1 1 5 1 1 1 ALA H2 H 14.969 2.666 -0.194 1.00 . A A . 1 ALA H2 1 1 1 6 1 1 1 ALA H3 H 13.631 2.943 -1.232 1.00 . A A . 1 ALA H3 1 1 1 7 1 1 1 ALA HA H 14.350 4.807 0.906 1.00 . A A . 1 ALA HA 1 1 1 8 1 1 1 ALA HB1 H 16.157 4.184 -0.977 1.00 . A A . 1 ALA HB1 1 1 1 9 1 1 1 ALA HB2 H 15.979 5.803 -0.301 1.00 . A A . 1 ALA HB2 1 1 1 10 1 1 1 ALA HB3 H 15.229 5.406 -1.847 1.00 . A A . 1 ALA HB3 1 1 1 11 1 1 1 ALA N N 14.037 3.118 -0.291 1.00 . A A . 1 ALA N 1 1 1 12 1 1 1 ALA O O 13.154 6.443 -1.219 1.00 . A A . 1 ALA O 1 1 1 13 1 1 2 CYS C C 10.641 5.621 -2.473 1.00 . A A . 2 CYS C 1 1 1 14 1 1 2 CYS CA C 10.602 5.391 -0.965 1.00 . A A . 2 CYS CA 1 1 1 15 1 1 2 CYS CB C 10.374 6.721 -0.241 1.00 . A A . 2 CYS CB 1 1 1 16 1 1 2 CYS H H 11.794 3.892 -0.062 1.00 . A A . 2 CYS H 1 1 1 17 1 1 2 CYS HA H 9.786 4.722 -0.736 1.00 . A A . 2 CYS HA 1 1 1 18 1 1 2 CYS HB2 H 10.953 7.491 -0.728 1.00 . A A . 2 CYS HB2 1 1 1 19 1 1 2 CYS HB3 H 9.326 6.977 -0.300 1.00 . A A . 2 CYS HB3 1 1 1 20 1 1 2 CYS N N 11.837 4.764 -0.505 1.00 . A A . 2 CYS N 1 1 1 21 1 1 2 CYS O O 11.149 6.638 -2.942 1.00 . A A . 2 CYS O 1 1 1 22 1 1 2 CYS SG S 10.844 6.710 1.521 1.00 . A A . 2 CYS SG 1 1 1 23 1 1 3 GLN C C 8.946 5.675 -5.149 1.00 . A A . 3 GLN C 1 1 1 24 1 1 3 GLN CA C 10.078 4.766 -4.681 1.00 . A A . 3 GLN CA 1 1 1 25 1 1 3 GLN CB C 9.922 3.377 -5.305 1.00 . A A . 3 GLN CB 1 1 1 26 1 1 3 GLN CD C 11.657 3.119 -7.122 1.00 . A A . 3 GLN CD 1 1 1 27 1 1 3 GLN CG C 11.241 2.742 -5.714 1.00 . A A . 3 GLN CG 1 1 1 28 1 1 3 GLN H H 9.713 3.878 -2.794 1.00 . A A . 3 GLN H 1 1 1 29 1 1 3 GLN HA H 11.018 5.189 -5.000 1.00 . A A . 3 GLN HA 1 1 1 30 1 1 3 GLN HB2 H 9.441 2.726 -4.590 1.00 . A A . 3 GLN HB2 1 1 1 31 1 1 3 GLN HB3 H 9.298 3.456 -6.183 1.00 . A A . 3 GLN HB3 1 1 1 32 1 1 3 GLN HE21 H 12.963 4.439 -6.410 1.00 . A A . 3 GLN HE21 1 1 1 33 1 1 3 GLN HE22 H 12.884 4.315 -8.132 1.00 . A A . 3 GLN HE22 1 1 1 34 1 1 3 GLN HG2 H 12.010 3.068 -5.029 1.00 . A A . 3 GLN HG2 1 1 1 35 1 1 3 GLN HG3 H 11.142 1.668 -5.658 1.00 . A A . 3 GLN HG3 1 1 1 36 1 1 3 GLN N N 10.102 4.667 -3.226 1.00 . A A . 3 GLN N 1 1 1 37 1 1 3 GLN NE2 N 12.596 4.052 -7.233 1.00 . A A . 3 GLN NE2 1 1 1 38 1 1 3 GLN O O 9.124 6.486 -6.058 1.00 . A A . 3 GLN O 1 1 1 39 1 1 3 GLN OE1 O 11.140 2.579 -8.100 1.00 . A A . 3 GLN OE1 1 1 1 40 1 1 4 ALA C C 6.232 6.117 -6.342 1.00 . A A . 4 ALA C 1 1 1 41 1 1 4 ALA CA C 6.620 6.340 -4.884 1.00 . A A . 4 ALA CA 1 1 1 42 1 1 4 ALA CB C 6.904 7.813 -4.631 1.00 . A A . 4 ALA CB 1 1 1 43 1 1 4 ALA H H 7.698 4.868 -3.811 1.00 . A A . 4 ALA H 1 1 1 44 1 1 4 ALA HA H 5.797 6.042 -4.252 1.00 . A A . 4 ALA HA 1 1 1 45 1 1 4 ALA HB1 H 6.001 8.302 -4.298 1.00 . A A . 4 ALA HB1 1 1 1 46 1 1 4 ALA HB2 H 7.249 8.276 -5.544 1.00 . A A . 4 ALA HB2 1 1 1 47 1 1 4 ALA HB3 H 7.666 7.908 -3.870 1.00 . A A . 4 ALA HB3 1 1 1 48 1 1 4 ALA N N 7.780 5.533 -4.526 1.00 . A A . 4 ALA N 1 1 1 49 1 1 4 ALA O O 5.744 7.027 -7.012 1.00 . A A . 4 ALA O 1 1 1 50 1 1 5 SER C C 5.748 3.081 -8.334 1.00 . A A . 5 SER C 1 1 1 51 1 1 5 SER CA C 6.132 4.554 -8.206 1.00 . A A . 5 SER CA 1 1 1 52 1 1 5 SER CB C 7.318 4.862 -9.121 1.00 . A A . 5 SER CB 1 1 1 53 1 1 5 SER H H 6.848 4.220 -6.241 1.00 . A A . 5 SER H 1 1 1 54 1 1 5 SER HA H 5.290 5.158 -8.510 1.00 . A A . 5 SER HA 1 1 1 55 1 1 5 SER HB2 H 8.236 4.783 -8.556 1.00 . A A . 5 SER HB2 1 1 1 56 1 1 5 SER HB3 H 7.335 4.154 -9.936 1.00 . A A . 5 SER HB3 1 1 1 57 1 1 5 SER HG H 7.565 6.177 -10.552 1.00 . A A . 5 SER HG 1 1 1 58 1 1 5 SER N N 6.455 4.900 -6.825 1.00 . A A . 5 SER N 1 1 1 59 1 1 5 SER O O 4.876 2.725 -9.126 1.00 . A A . 5 SER O 1 1 1 60 1 1 5 SER OG O 7.225 6.172 -9.654 1.00 . A A . 5 SER OG 1 1 1 61 1 1 6 GLN C C 4.728 0.497 -7.068 1.00 . A A . 6 GLN C 1 1 1 62 1 1 6 GLN CA C 6.133 0.801 -7.580 1.00 . A A . 6 GLN CA 1 1 1 63 1 1 6 GLN CB C 7.168 0.052 -6.738 1.00 . A A . 6 GLN CB 1 1 1 64 1 1 6 GLN CD C 9.242 -1.386 -6.825 1.00 . A A . 6 GLN CD 1 1 1 65 1 1 6 GLN CG C 8.437 -0.293 -7.500 1.00 . A A . 6 GLN CG 1 1 1 66 1 1 6 GLN H H 7.085 2.562 -6.944 1.00 . A A . 6 GLN H 1 1 1 67 1 1 6 GLN HA H 6.213 0.477 -8.601 1.00 . A A . 6 GLN HA 1 1 1 68 1 1 6 GLN HB2 H 7.438 0.666 -5.891 1.00 . A A . 6 GLN HB2 1 1 1 69 1 1 6 GLN HB3 H 6.728 -0.866 -6.380 1.00 . A A . 6 GLN HB3 1 1 1 70 1 1 6 GLN HE21 H 9.273 -2.439 -8.511 1.00 . A A . 6 GLN HE21 1 1 1 71 1 1 6 GLN HE22 H 10.087 -3.153 -7.165 1.00 . A A . 6 GLN HE22 1 1 1 72 1 1 6 GLN HG2 H 8.168 -0.626 -8.491 1.00 . A A . 6 GLN HG2 1 1 1 73 1 1 6 GLN HG3 H 9.050 0.593 -7.573 1.00 . A A . 6 GLN HG3 1 1 1 74 1 1 6 GLN N N 6.404 2.227 -7.552 1.00 . A A . 6 GLN N 1 1 1 75 1 1 6 GLN NE2 N 9.567 -2.431 -7.576 1.00 . A A . 6 GLN NE2 1 1 1 76 1 1 6 GLN O O 4.214 -0.606 -7.252 1.00 . A A . 6 GLN O 1 1 1 77 1 1 6 GLN OE1 O 9.569 -1.292 -5.642 1.00 . A A . 6 GLN OE1 1 1 1 78 1 1 7 LEU C C 1.754 2.126 -6.655 1.00 . A A . 7 LEU C 1 1 1 79 1 1 7 LEU CA C 2.780 1.320 -5.862 1.00 . A A . 7 LEU CA 1 1 1 80 1 1 7 LEU CB C 2.764 1.753 -4.393 1.00 . A A . 7 LEU CB 1 1 1 81 1 1 7 LEU CD1 C 4.127 2.544 -2.440 1.00 . A A . 7 LEU CD1 1 1 1 82 1 1 7 LEU CD2 C 4.393 0.199 -3.279 1.00 . A A . 7 LEU CD2 1 1 1 83 1 1 7 LEU CG C 4.110 1.645 -3.667 1.00 . A A . 7 LEU CG 1 1 1 84 1 1 7 LEU H H 4.582 2.333 -6.290 1.00 . A A . 7 LEU H 1 1 1 85 1 1 7 LEU HA H 2.520 0.273 -5.920 1.00 . A A . 7 LEU HA 1 1 1 86 1 1 7 LEU HB2 H 2.435 2.781 -4.347 1.00 . A A . 7 LEU HB2 1 1 1 87 1 1 7 LEU HB3 H 2.048 1.140 -3.867 1.00 . A A . 7 LEU HB3 1 1 1 88 1 1 7 LEU HD11 H 5.148 2.720 -2.136 1.00 . A A . 7 LEU HD11 1 1 1 89 1 1 7 LEU HD12 H 3.589 2.065 -1.636 1.00 . A A . 7 LEU HD12 1 1 1 90 1 1 7 LEU HD13 H 3.655 3.486 -2.678 1.00 . A A . 7 LEU HD13 1 1 1 91 1 1 7 LEU HD21 H 5.300 -0.133 -3.763 1.00 . A A . 7 LEU HD21 1 1 1 92 1 1 7 LEU HD22 H 3.570 -0.427 -3.591 1.00 . A A . 7 LEU HD22 1 1 1 93 1 1 7 LEU HD23 H 4.511 0.128 -2.208 1.00 . A A . 7 LEU HD23 1 1 1 94 1 1 7 LEU HG H 4.900 1.975 -4.333 1.00 . A A . 7 LEU HG 1 1 1 95 1 1 7 LEU N N 4.118 1.480 -6.414 1.00 . A A . 7 LEU N 1 1 1 96 1 1 7 LEU O O 0.556 1.851 -6.595 1.00 . A A . 7 LEU O 1 1 1 97 1 1 8 ALA C C 0.371 3.140 -9.017 1.00 . A A . 8 ALA C 1 1 1 98 1 1 8 ALA CA C 1.350 3.971 -8.198 1.00 . A A . 8 ALA CA 1 1 1 99 1 1 8 ALA CB C 2.170 4.873 -9.108 1.00 . A A . 8 ALA CB 1 1 1 100 1 1 8 ALA H H 3.191 3.301 -7.405 1.00 . A A . 8 ALA H 1 1 1 101 1 1 8 ALA HA H 0.793 4.592 -7.525 1.00 . A A . 8 ALA HA 1 1 1 102 1 1 8 ALA HB1 H 2.953 5.346 -8.535 1.00 . A A . 8 ALA HB1 1 1 1 103 1 1 8 ALA HB2 H 1.530 5.631 -9.536 1.00 . A A . 8 ALA HB2 1 1 1 104 1 1 8 ALA HB3 H 2.609 4.284 -9.900 1.00 . A A . 8 ALA HB3 1 1 1 105 1 1 8 ALA N N 2.229 3.126 -7.398 1.00 . A A . 8 ALA N 1 1 1 106 1 1 8 ALA O O -0.817 3.451 -9.095 1.00 . A A . 8 ALA O 1 1 1 107 1 1 9 VAL C C -1.103 0.633 -9.641 1.00 . A A . 9 VAL C 1 1 1 108 1 1 9 VAL CA C 0.075 1.191 -10.436 1.00 . A A . 9 VAL CA 1 1 1 109 1 1 9 VAL CB C 0.913 0.022 -10.992 1.00 . A A . 9 VAL CB 1 1 1 110 1 1 9 VAL CG1 C 1.475 -0.822 -9.858 1.00 . A A . 9 VAL CG1 1 1 1 111 1 1 9 VAL CG2 C 0.085 -0.829 -11.946 1.00 . A A . 9 VAL CG2 1 1 1 112 1 1 9 VAL H H 1.835 1.898 -9.513 1.00 . A A . 9 VAL H 1 1 1 113 1 1 9 VAL HA H -0.302 1.761 -11.264 1.00 . A A . 9 VAL HA 1 1 1 114 1 1 9 VAL HB H 1.744 0.436 -11.545 1.00 . A A . 9 VAL HB 1 1 1 115 1 1 9 VAL HG11 H 0.683 -1.413 -9.422 1.00 . A A . 9 VAL HG11 1 1 1 116 1 1 9 VAL HG12 H 1.899 -0.176 -9.103 1.00 . A A . 9 VAL HG12 1 1 1 117 1 1 9 VAL HG13 H 2.243 -1.478 -10.242 1.00 . A A . 9 VAL HG13 1 1 1 118 1 1 9 VAL HG21 H 0.491 -0.750 -12.943 1.00 . A A . 9 VAL HG21 1 1 1 119 1 1 9 VAL HG22 H -0.938 -0.482 -11.945 1.00 . A A . 9 VAL HG22 1 1 1 120 1 1 9 VAL HG23 H 0.114 -1.861 -11.627 1.00 . A A . 9 VAL HG23 1 1 1 121 1 1 9 VAL N N 0.885 2.083 -9.620 1.00 . A A . 9 VAL N 1 1 1 122 1 1 9 VAL O O -2.129 0.257 -10.208 1.00 . A A . 9 VAL O 1 1 1 123 1 1 10 CYS C C -2.928 1.192 -7.026 1.00 . A A . 10 CYS C 1 1 1 124 1 1 10 CYS CA C -1.982 0.075 -7.438 1.00 . A A . 10 CYS CA 1 1 1 125 1 1 10 CYS CB C -1.350 -0.535 -6.193 1.00 . A A . 10 CYS CB 1 1 1 126 1 1 10 CYS H H -0.100 0.900 -7.939 1.00 . A A . 10 CYS H 1 1 1 127 1 1 10 CYS HA H -2.536 -0.685 -7.967 1.00 . A A . 10 CYS HA 1 1 1 128 1 1 10 CYS HB2 H -0.408 -0.981 -6.464 1.00 . A A . 10 CYS HB2 1 1 1 129 1 1 10 CYS HB3 H -1.177 0.249 -5.468 1.00 . A A . 10 CYS HB3 1 1 1 130 1 1 10 CYS N N -0.942 0.584 -8.325 1.00 . A A . 10 CYS N 1 1 1 131 1 1 10 CYS O O -4.112 0.963 -6.780 1.00 . A A . 10 CYS O 1 1 1 132 1 1 10 CYS SG S -2.372 -1.812 -5.390 1.00 . A A . 10 CYS SG 1 1 1 133 1 1 11 ALA C C -4.518 3.599 -7.246 1.00 . A A . 11 ALA C 1 1 1 134 1 1 11 ALA CA C -3.158 3.580 -6.564 1.00 . A A . 11 ALA CA 1 1 1 135 1 1 11 ALA CB C -2.384 4.848 -6.892 1.00 . A A . 11 ALA CB 1 1 1 136 1 1 11 ALA H H -1.435 2.501 -7.157 1.00 . A A . 11 ALA H 1 1 1 137 1 1 11 ALA HA H -3.306 3.543 -5.500 1.00 . A A . 11 ALA HA 1 1 1 138 1 1 11 ALA HB1 H -1.384 4.774 -6.491 1.00 . A A . 11 ALA HB1 1 1 1 139 1 1 11 ALA HB2 H -2.885 5.699 -6.455 1.00 . A A . 11 ALA HB2 1 1 1 140 1 1 11 ALA HB3 H -2.333 4.972 -7.964 1.00 . A A . 11 ALA HB3 1 1 1 141 1 1 11 ALA N N -2.385 2.401 -6.950 1.00 . A A . 11 ALA N 1 1 1 142 1 1 11 ALA O O -5.496 4.110 -6.700 1.00 . A A . 11 ALA O 1 1 1 143 1 1 12 SER C C -6.911 2.308 -8.395 1.00 . A A . 12 SER C 1 1 1 144 1 1 12 SER CA C -5.801 2.967 -9.208 1.00 . A A . 12 SER CA 1 1 1 145 1 1 12 SER CB C -5.578 2.196 -10.510 1.00 . A A . 12 SER CB 1 1 1 146 1 1 12 SER H H -3.753 2.643 -8.812 1.00 . A A . 12 SER H 1 1 1 147 1 1 12 SER HA H -6.091 3.977 -9.444 1.00 . A A . 12 SER HA 1 1 1 148 1 1 12 SER HB2 H -5.335 1.169 -10.281 1.00 . A A . 12 SER HB2 1 1 1 149 1 1 12 SER HB3 H -6.479 2.228 -11.104 1.00 . A A . 12 SER HB3 1 1 1 150 1 1 12 SER HG H -4.629 3.710 -11.313 1.00 . A A . 12 SER HG 1 1 1 151 1 1 12 SER N N -4.567 3.031 -8.440 1.00 . A A . 12 SER N 1 1 1 152 1 1 12 SER O O -8.079 2.681 -8.500 1.00 . A A . 12 SER O 1 1 1 153 1 1 12 SER OG O -4.516 2.758 -11.261 1.00 . A A . 12 SER OG 1 1 1 154 1 1 13 ALA C C -7.745 1.349 -5.444 1.00 . A A . 13 ALA C 1 1 1 155 1 1 13 ALA CA C -7.486 0.608 -6.752 1.00 . A A . 13 ALA CA 1 1 1 156 1 1 13 ALA CB C -6.986 -0.801 -6.472 1.00 . A A . 13 ALA CB 1 1 1 157 1 1 13 ALA H H -5.593 1.072 -7.548 1.00 . A A . 13 ALA H 1 1 1 158 1 1 13 ALA HA H -8.408 0.533 -7.302 1.00 . A A . 13 ALA HA 1 1 1 159 1 1 13 ALA HB1 H -6.458 -0.815 -5.530 1.00 . A A . 13 ALA HB1 1 1 1 160 1 1 13 ALA HB2 H -6.318 -1.110 -7.263 1.00 . A A . 13 ALA HB2 1 1 1 161 1 1 13 ALA HB3 H -7.825 -1.479 -6.425 1.00 . A A . 13 ALA HB3 1 1 1 162 1 1 13 ALA N N -6.534 1.324 -7.585 1.00 . A A . 13 ALA N 1 1 1 163 1 1 13 ALA O O -8.887 1.464 -5.000 1.00 . A A . 13 ALA O 1 1 1 164 1 1 14 ILE C C -7.660 3.825 -3.744 1.00 . A A . 14 ILE C 1 1 1 165 1 1 14 ILE CA C -6.792 2.581 -3.573 1.00 . A A . 14 ILE CA 1 1 1 166 1 1 14 ILE CB C -5.404 2.998 -3.028 1.00 . A A . 14 ILE CB 1 1 1 167 1 1 14 ILE CD1 C -3.889 1.091 -3.781 1.00 . A A . 14 ILE CD1 1 1 1 168 1 1 14 ILE CG1 C -4.589 1.766 -2.621 1.00 . A A . 14 ILE CG1 1 1 1 169 1 1 14 ILE CG2 C -5.552 3.945 -1.844 1.00 . A A . 14 ILE CG2 1 1 1 170 1 1 14 ILE H H -5.792 1.728 -5.233 1.00 . A A . 14 ILE H 1 1 1 171 1 1 14 ILE HA H -7.257 1.926 -2.850 1.00 . A A . 14 ILE HA 1 1 1 172 1 1 14 ILE HB H -4.880 3.523 -3.812 1.00 . A A . 14 ILE HB 1 1 1 173 1 1 14 ILE HD11 H -4.558 0.378 -4.240 1.00 . A A . 14 ILE HD11 1 1 1 174 1 1 14 ILE HD12 H -3.009 0.578 -3.421 1.00 . A A . 14 ILE HD12 1 1 1 175 1 1 14 ILE HD13 H -3.600 1.834 -4.510 1.00 . A A . 14 ILE HD13 1 1 1 176 1 1 14 ILE HG12 H -3.833 2.066 -1.907 1.00 . A A . 14 ILE HG12 1 1 1 177 1 1 14 ILE HG13 H -5.246 1.042 -2.159 1.00 . A A . 14 ILE HG13 1 1 1 178 1 1 14 ILE HG21 H -4.883 3.640 -1.053 1.00 . A A . 14 ILE HG21 1 1 1 179 1 1 14 ILE HG22 H -6.570 3.917 -1.485 1.00 . A A . 14 ILE HG22 1 1 1 180 1 1 14 ILE HG23 H -5.307 4.950 -2.155 1.00 . A A . 14 ILE HG23 1 1 1 181 1 1 14 ILE N N -6.676 1.851 -4.830 1.00 . A A . 14 ILE N 1 1 1 182 1 1 14 ILE O O -8.621 4.031 -3.004 1.00 . A A . 14 ILE O 1 1 1 183 1 1 15 LEU C C -9.394 5.583 -5.650 1.00 . A A . 15 LEU C 1 1 1 184 1 1 15 LEU CA C -8.052 5.883 -4.985 1.00 . A A . 15 LEU CA 1 1 1 185 1 1 15 LEU CB C -7.227 6.823 -5.867 1.00 . A A . 15 LEU CB 1 1 1 186 1 1 15 LEU CD1 C -5.338 8.453 -6.110 1.00 . A A . 15 LEU CD1 1 1 1 187 1 1 15 LEU CD2 C -6.806 8.536 -4.087 1.00 . A A . 15 LEU CD2 1 1 1 188 1 1 15 LEU CG C -6.161 7.634 -5.128 1.00 . A A . 15 LEU CG 1 1 1 189 1 1 15 LEU H H -6.530 4.439 -5.276 1.00 . A A . 15 LEU H 1 1 1 190 1 1 15 LEU HA H -8.237 6.365 -4.037 1.00 . A A . 15 LEU HA 1 1 1 191 1 1 15 LEU HB2 H -6.739 6.232 -6.628 1.00 . A A . 15 LEU HB2 1 1 1 192 1 1 15 LEU HB3 H -7.902 7.514 -6.350 1.00 . A A . 15 LEU HB3 1 1 1 193 1 1 15 LEU HD11 H -5.946 8.706 -6.966 1.00 . A A . 15 LEU HD11 1 1 1 194 1 1 15 LEU HD12 H -4.484 7.876 -6.434 1.00 . A A . 15 LEU HD12 1 1 1 195 1 1 15 LEU HD13 H -4.999 9.358 -5.629 1.00 . A A . 15 LEU HD13 1 1 1 196 1 1 15 LEU HD21 H -6.225 9.441 -3.986 1.00 . A A . 15 LEU HD21 1 1 1 197 1 1 15 LEU HD22 H -6.840 8.022 -3.138 1.00 . A A . 15 LEU HD22 1 1 1 198 1 1 15 LEU HD23 H -7.809 8.785 -4.398 1.00 . A A . 15 LEU HD23 1 1 1 199 1 1 15 LEU HG H -5.493 6.956 -4.618 1.00 . A A . 15 LEU HG 1 1 1 200 1 1 15 LEU N N -7.309 4.655 -4.722 1.00 . A A . 15 LEU N 1 1 1 201 1 1 15 LEU O O -10.431 5.557 -4.989 1.00 . A A . 15 LEU O 1 1 1 202 1 1 16 SER C C -11.256 3.803 -7.187 1.00 . A A . 16 SER C 1 1 1 203 1 1 16 SER CA C -10.584 5.069 -7.710 1.00 . A A . 16 SER CA 1 1 1 204 1 1 16 SER CB C -10.268 4.917 -9.199 1.00 . A A . 16 SER CB 1 1 1 205 1 1 16 SER H H -8.511 5.398 -7.436 1.00 . A A . 16 SER H 1 1 1 206 1 1 16 SER HA H -11.261 5.900 -7.579 1.00 . A A . 16 SER HA 1 1 1 207 1 1 16 SER HB2 H -10.031 5.884 -9.615 1.00 . A A . 16 SER HB2 1 1 1 208 1 1 16 SER HB3 H -9.422 4.256 -9.320 1.00 . A A . 16 SER HB3 1 1 1 209 1 1 16 SER HG H -11.207 4.426 -10.847 1.00 . A A . 16 SER HG 1 1 1 210 1 1 16 SER N N -9.368 5.361 -6.961 1.00 . A A . 16 SER N 1 1 1 211 1 1 16 SER O O -12.270 3.868 -6.492 1.00 . A A . 16 SER O 1 1 1 212 1 1 16 SER OG O -11.373 4.376 -9.903 1.00 . A A . 16 SER OG 1 1 1 213 1 1 17 GLY C C -11.609 0.476 -8.236 1.00 . A A . 17 GLY C 1 1 1 214 1 1 17 GLY CA C -11.242 1.388 -7.082 1.00 . A A . 17 GLY CA 1 1 1 215 1 1 17 GLY H H -9.877 2.661 -8.082 1.00 . A A . 17 GLY H 1 1 1 216 1 1 17 GLY HA2 H -10.516 0.886 -6.459 1.00 . A A . 17 GLY HA2 1 1 1 217 1 1 17 GLY HA3 H -12.128 1.583 -6.496 1.00 . A A . 17 GLY HA3 1 1 1 218 1 1 17 GLY N N -10.684 2.652 -7.526 1.00 . A A . 17 GLY N 1 1 1 219 1 1 17 GLY O O -12.616 -0.230 -8.182 1.00 . A A . 17 GLY O 1 1 1 220 1 1 18 ALA C C -11.091 -1.814 -10.078 1.00 . A A . 18 ALA C 1 1 1 221 1 1 18 ALA CA C -11.032 -0.342 -10.455 1.00 . A A . 18 ALA CA 1 1 1 222 1 1 18 ALA CB C -9.954 -0.104 -11.503 1.00 . A A . 18 ALA CB 1 1 1 223 1 1 18 ALA H H -10.002 1.074 -9.266 1.00 . A A . 18 ALA H 1 1 1 224 1 1 18 ALA HA H -11.976 -0.056 -10.876 1.00 . A A . 18 ALA HA 1 1 1 225 1 1 18 ALA HB1 H -9.794 -1.011 -12.067 1.00 . A A . 18 ALA HB1 1 1 1 226 1 1 18 ALA HB2 H -9.035 0.183 -11.015 1.00 . A A . 18 ALA HB2 1 1 1 227 1 1 18 ALA HB3 H -10.269 0.685 -12.170 1.00 . A A . 18 ALA HB3 1 1 1 228 1 1 18 ALA N N -10.789 0.491 -9.283 1.00 . A A . 18 ALA N 1 1 1 229 1 1 18 ALA O O -12.167 -2.407 -9.994 1.00 . A A . 18 ALA O 1 1 1 230 1 1 19 LYS C C -8.423 -4.113 -8.948 1.00 . A A . 19 LYS C 1 1 1 231 1 1 19 LYS CA C -9.820 -3.795 -9.479 1.00 . A A . 19 LYS CA 1 1 1 232 1 1 19 LYS CB C -10.141 -4.693 -10.676 1.00 . A A . 19 LYS CB 1 1 1 233 1 1 19 LYS CD C -10.585 -3.690 -12.940 1.00 . A A . 19 LYS CD 1 1 1 234 1 1 19 LYS CE C -9.997 -2.707 -13.939 1.00 . A A . 19 LYS CE 1 1 1 235 1 1 19 LYS CG C -9.526 -4.212 -11.982 1.00 . A A . 19 LYS CG 1 1 1 236 1 1 19 LYS H H -9.115 -1.858 -9.936 1.00 . A A . 19 LYS H 1 1 1 237 1 1 19 LYS HA H -10.540 -3.979 -8.700 1.00 . A A . 19 LYS HA 1 1 1 238 1 1 19 LYS HB2 H -9.770 -5.687 -10.475 1.00 . A A . 19 LYS HB2 1 1 1 239 1 1 19 LYS HB3 H -11.213 -4.737 -10.802 1.00 . A A . 19 LYS HB3 1 1 1 240 1 1 19 LYS HD2 H -11.011 -4.523 -13.479 1.00 . A A . 19 LYS HD2 1 1 1 241 1 1 19 LYS HD3 H -11.357 -3.194 -12.371 1.00 . A A . 19 LYS HD3 1 1 1 242 1 1 19 LYS HE2 H -10.696 -1.896 -14.081 1.00 . A A . 19 LYS HE2 1 1 1 243 1 1 19 LYS HE3 H -9.072 -2.318 -13.541 1.00 . A A . 19 LYS HE3 1 1 1 244 1 1 19 LYS HG2 H -8.827 -3.417 -11.768 1.00 . A A . 19 LYS HG2 1 1 1 245 1 1 19 LYS HG3 H -9.005 -5.036 -12.448 1.00 . A A . 19 LYS HG3 1 1 1 246 1 1 19 LYS HZ1 H -10.327 -4.189 -15.375 1.00 . A A . 19 LYS HZ1 1 1 1 247 1 1 19 LYS HZ2 H -8.729 -3.636 -15.316 1.00 . A A . 19 LYS HZ2 1 1 1 248 1 1 19 LYS HZ3 H -9.928 -2.679 -16.027 1.00 . A A . 19 LYS HZ3 1 1 1 249 1 1 19 LYS N N -9.925 -2.392 -9.852 1.00 . A A . 19 LYS N 1 1 1 250 1 1 19 LYS NZ N -9.726 -3.348 -15.256 1.00 . A A . 19 LYS NZ 1 1 1 251 1 1 19 LYS O O -7.424 -3.652 -9.500 1.00 . A A . 19 LYS O 1 1 1 252 1 1 20 PRO C C -6.090 -5.892 -8.286 1.00 . A A . 20 PRO C 1 1 1 253 1 1 20 PRO CA C -7.046 -5.281 -7.268 1.00 . A A . 20 PRO CA 1 1 1 254 1 1 20 PRO CB C -7.429 -6.316 -6.208 1.00 . A A . 20 PRO CB 1 1 1 255 1 1 20 PRO CD C -9.471 -5.503 -7.141 1.00 . A A . 20 PRO CD 1 1 1 256 1 1 20 PRO CG C -8.847 -6.010 -5.871 1.00 . A A . 20 PRO CG 1 1 1 257 1 1 20 PRO HA H -6.571 -4.434 -6.794 1.00 . A A . 20 PRO HA 1 1 1 258 1 1 20 PRO HB2 H -7.325 -7.310 -6.618 1.00 . A A . 20 PRO HB2 1 1 1 259 1 1 20 PRO HB3 H -6.787 -6.208 -5.346 1.00 . A A . 20 PRO HB3 1 1 1 260 1 1 20 PRO HD2 H -9.903 -6.319 -7.702 1.00 . A A . 20 PRO HD2 1 1 1 261 1 1 20 PRO HD3 H -10.220 -4.757 -6.920 1.00 . A A . 20 PRO HD3 1 1 1 262 1 1 20 PRO HG2 H -9.348 -6.907 -5.539 1.00 . A A . 20 PRO HG2 1 1 1 263 1 1 20 PRO HG3 H -8.887 -5.251 -5.105 1.00 . A A . 20 PRO HG3 1 1 1 264 1 1 20 PRO N N -8.333 -4.908 -7.866 1.00 . A A . 20 PRO N 1 1 1 265 1 1 20 PRO O O -6.364 -5.898 -9.486 1.00 . A A . 20 PRO O 1 1 1 266 1 1 21 SER C C -2.851 -7.654 -7.838 1.00 . A A . 21 SER C 1 1 1 267 1 1 21 SER CA C -3.969 -7.024 -8.663 1.00 . A A . 21 SER CA 1 1 1 268 1 1 21 SER CB C -3.387 -5.988 -9.626 1.00 . A A . 21 SER CB 1 1 1 269 1 1 21 SER H H -4.806 -6.374 -6.833 1.00 . A A . 21 SER H 1 1 1 270 1 1 21 SER HA H -4.459 -7.798 -9.234 1.00 . A A . 21 SER HA 1 1 1 271 1 1 21 SER HB2 H -3.454 -5.007 -9.180 1.00 . A A . 21 SER HB2 1 1 1 272 1 1 21 SER HB3 H -2.351 -6.223 -9.823 1.00 . A A . 21 SER HB3 1 1 1 273 1 1 21 SER HG H -4.119 -6.868 -11.216 1.00 . A A . 21 SER HG 1 1 1 274 1 1 21 SER N N -4.967 -6.408 -7.798 1.00 . A A . 21 SER N 1 1 1 275 1 1 21 SER O O -2.426 -7.100 -6.825 1.00 . A A . 21 SER O 1 1 1 276 1 1 21 SER OG O -4.094 -5.979 -10.854 1.00 . A A . 21 SER OG 1 1 1 277 1 1 22 GLY C C -0.012 -8.733 -7.591 1.00 . A A . 22 GLY C 1 1 1 278 1 1 22 GLY CA C -1.318 -9.502 -7.568 1.00 . A A . 22 GLY CA 1 1 1 279 1 1 22 GLY H H -2.759 -9.211 -9.092 1.00 . A A . 22 GLY H 1 1 1 280 1 1 22 GLY HA2 H -1.621 -9.643 -6.540 1.00 . A A . 22 GLY HA2 1 1 1 281 1 1 22 GLY HA3 H -1.162 -10.469 -8.022 1.00 . A A . 22 GLY HA3 1 1 1 282 1 1 22 GLY N N -2.381 -8.816 -8.278 1.00 . A A . 22 GLY N 1 1 1 283 1 1 22 GLY O O 0.666 -8.618 -6.571 1.00 . A A . 22 GLY O 1 1 1 284 1 1 23 GLU C C 1.711 -6.392 -7.828 1.00 . A A . 23 GLU C 1 1 1 285 1 1 23 GLU CA C 1.570 -7.447 -8.921 1.00 . A A . 23 GLU CA 1 1 1 286 1 1 23 GLU CB C 1.576 -6.781 -10.293 1.00 . A A . 23 GLU CB 1 1 1 287 1 1 23 GLU CD C 3.076 -5.178 -11.533 1.00 . A A . 23 GLU CD 1 1 1 288 1 1 23 GLU CG C 2.967 -6.509 -10.816 1.00 . A A . 23 GLU CG 1 1 1 289 1 1 23 GLU H H -0.233 -8.330 -9.538 1.00 . A A . 23 GLU H 1 1 1 290 1 1 23 GLU HA H 2.400 -8.134 -8.858 1.00 . A A . 23 GLU HA 1 1 1 291 1 1 23 GLU HB2 H 1.067 -7.425 -10.997 1.00 . A A . 23 GLU HB2 1 1 1 292 1 1 23 GLU HB3 H 1.048 -5.839 -10.226 1.00 . A A . 23 GLU HB3 1 1 1 293 1 1 23 GLU HG2 H 3.652 -6.514 -9.984 1.00 . A A . 23 GLU HG2 1 1 1 294 1 1 23 GLU HG3 H 3.229 -7.298 -11.503 1.00 . A A . 23 GLU HG3 1 1 1 295 1 1 23 GLU N N 0.343 -8.205 -8.759 1.00 . A A . 23 GLU N 1 1 1 296 1 1 23 GLU O O 2.813 -6.117 -7.353 1.00 . A A . 23 GLU O 1 1 1 297 1 1 23 GLU OE1 O 2.768 -5.128 -12.743 1.00 . A A . 23 GLU OE1 1 1 1 298 1 1 23 GLU OE2 O 3.471 -4.185 -10.886 1.00 . A A . 23 GLU OE2 1 1 1 299 1 1 24 CYS C C 1.257 -5.263 -5.134 1.00 . A A . 24 CYS C 1 1 1 300 1 1 24 CYS CA C 0.572 -4.778 -6.403 1.00 . A A . 24 CYS CA 1 1 1 301 1 1 24 CYS CB C -0.867 -4.355 -6.092 1.00 . A A . 24 CYS CB 1 1 1 302 1 1 24 CYS H H -0.258 -6.067 -7.856 1.00 . A A . 24 CYS H 1 1 1 303 1 1 24 CYS HA H 1.108 -3.934 -6.780 1.00 . A A . 24 CYS HA 1 1 1 304 1 1 24 CYS HB2 H -1.296 -3.896 -6.970 1.00 . A A . 24 CYS HB2 1 1 1 305 1 1 24 CYS HB3 H -1.443 -5.231 -5.832 1.00 . A A . 24 CYS HB3 1 1 1 306 1 1 24 CYS N N 0.585 -5.805 -7.437 1.00 . A A . 24 CYS N 1 1 1 307 1 1 24 CYS O O 2.275 -4.715 -4.711 1.00 . A A . 24 CYS O 1 1 1 308 1 1 24 CYS SG S -1.016 -3.164 -4.718 1.00 . A A . 24 CYS SG 1 1 1 309 1 1 25 CYS C C 2.693 -7.232 -3.461 1.00 . A A . 25 CYS C 1 1 1 310 1 1 25 CYS CA C 1.219 -6.863 -3.304 1.00 . A A . 25 CYS CA 1 1 1 311 1 1 25 CYS CB C 0.401 -8.091 -2.890 1.00 . A A . 25 CYS CB 1 1 1 312 1 1 25 CYS H H -0.126 -6.668 -4.929 1.00 . A A . 25 CYS H 1 1 1 313 1 1 25 CYS HA H 1.134 -6.113 -2.531 1.00 . A A . 25 CYS HA 1 1 1 314 1 1 25 CYS HB2 H 0.589 -8.302 -1.849 1.00 . A A . 25 CYS HB2 1 1 1 315 1 1 25 CYS HB3 H -0.648 -7.872 -3.021 1.00 . A A . 25 CYS HB3 1 1 1 316 1 1 25 CYS N N 0.683 -6.289 -4.534 1.00 . A A . 25 CYS N 1 1 1 317 1 1 25 CYS O O 3.436 -7.287 -2.483 1.00 . A A . 25 CYS O 1 1 1 318 1 1 25 CYS SG S 0.771 -9.607 -3.835 1.00 . A A . 25 CYS SG 1 1 1 319 1 1 26 GLY C C 5.405 -6.629 -5.003 1.00 . A A . 26 GLY C 1 1 1 320 1 1 26 GLY CA C 4.491 -7.840 -4.958 1.00 . A A . 26 GLY CA 1 1 1 321 1 1 26 GLY H H 2.471 -7.426 -5.440 1.00 . A A . 26 GLY H 1 1 1 322 1 1 26 GLY HA2 H 4.832 -8.506 -4.180 1.00 . A A . 26 GLY HA2 1 1 1 323 1 1 26 GLY HA3 H 4.546 -8.354 -5.906 1.00 . A A . 26 GLY HA3 1 1 1 324 1 1 26 GLY N N 3.108 -7.484 -4.698 1.00 . A A . 26 GLY N 1 1 1 325 1 1 26 GLY O O 6.545 -6.685 -4.542 1.00 . A A . 26 GLY O 1 1 1 326 1 1 27 ASN C C 6.172 -3.822 -4.339 1.00 . A A . 27 ASN C 1 1 1 327 1 1 27 ASN CA C 5.678 -4.307 -5.692 1.00 . A A . 27 ASN CA 1 1 1 328 1 1 27 ASN CB C 4.837 -3.217 -6.358 1.00 . A A . 27 ASN CB 1 1 1 329 1 1 27 ASN CG C 4.548 -3.518 -7.815 1.00 . A A . 27 ASN CG 1 1 1 330 1 1 27 ASN H H 3.997 -5.557 -5.927 1.00 . A A . 27 ASN H 1 1 1 331 1 1 27 ASN HA H 6.523 -4.519 -6.309 1.00 . A A . 27 ASN HA 1 1 1 332 1 1 27 ASN HB2 H 3.896 -3.127 -5.836 1.00 . A A . 27 ASN HB2 1 1 1 333 1 1 27 ASN HB3 H 5.366 -2.278 -6.301 1.00 . A A . 27 ASN HB3 1 1 1 334 1 1 27 ASN HD21 H 6.433 -3.107 -8.298 1.00 . A A . 27 ASN HD21 1 1 1 335 1 1 27 ASN HD22 H 5.408 -3.577 -9.606 1.00 . A A . 27 ASN HD22 1 1 1 336 1 1 27 ASN N N 4.905 -5.535 -5.572 1.00 . A A . 27 ASN N 1 1 1 337 1 1 27 ASN ND2 N 5.565 -3.387 -8.658 1.00 . A A . 27 ASN ND2 1 1 1 338 1 1 27 ASN O O 7.353 -3.521 -4.163 1.00 . A A . 27 ASN O 1 1 1 339 1 1 27 ASN OD1 O 3.424 -3.862 -8.180 1.00 . A A . 27 ASN OD1 1 1 1 340 1 1 28 LEU C C 6.764 -4.040 -1.470 1.00 . A A . 28 LEU C 1 1 1 341 1 1 28 LEU CA C 5.576 -3.282 -2.045 1.00 . A A . 28 LEU CA 1 1 1 342 1 1 28 LEU CB C 4.364 -3.434 -1.127 1.00 . A A . 28 LEU CB 1 1 1 343 1 1 28 LEU CD1 C 4.708 -5.380 0.408 1.00 . A A . 28 LEU CD1 1 1 1 344 1 1 28 LEU CD2 C 2.468 -4.996 -0.643 1.00 . A A . 28 LEU CD2 1 1 1 345 1 1 28 LEU CG C 3.974 -4.875 -0.824 1.00 . A A . 28 LEU CG 1 1 1 346 1 1 28 LEU H H 4.338 -3.991 -3.607 1.00 . A A . 28 LEU H 1 1 1 347 1 1 28 LEU HA H 5.832 -2.248 -2.110 1.00 . A A . 28 LEU HA 1 1 1 348 1 1 28 LEU HB2 H 4.581 -2.935 -0.193 1.00 . A A . 28 LEU HB2 1 1 1 349 1 1 28 LEU HB3 H 3.521 -2.944 -1.591 1.00 . A A . 28 LEU HB3 1 1 1 350 1 1 28 LEU HD11 H 4.029 -5.404 1.248 1.00 . A A . 28 LEU HD11 1 1 1 351 1 1 28 LEU HD12 H 5.534 -4.720 0.632 1.00 . A A . 28 LEU HD12 1 1 1 352 1 1 28 LEU HD13 H 5.084 -6.375 0.221 1.00 . A A . 28 LEU HD13 1 1 1 353 1 1 28 LEU HD21 H 1.968 -4.339 -1.340 1.00 . A A . 28 LEU HD21 1 1 1 354 1 1 28 LEU HD22 H 2.203 -4.718 0.366 1.00 . A A . 28 LEU HD22 1 1 1 355 1 1 28 LEU HD23 H 2.163 -6.015 -0.827 1.00 . A A . 28 LEU HD23 1 1 1 356 1 1 28 LEU HG H 4.263 -5.493 -1.660 1.00 . A A . 28 LEU HG 1 1 1 357 1 1 28 LEU N N 5.255 -3.741 -3.391 1.00 . A A . 28 LEU N 1 1 1 358 1 1 28 LEU O O 7.601 -3.470 -0.770 1.00 . A A . 28 LEU O 1 1 1 359 1 1 29 ARG C C 9.256 -5.610 -1.639 1.00 . A A . 29 ARG C 1 1 1 360 1 1 29 ARG CA C 7.902 -6.177 -1.279 1.00 . A A . 29 ARG CA 1 1 1 361 1 1 29 ARG CB C 7.750 -7.592 -1.826 1.00 . A A . 29 ARG CB 1 1 1 362 1 1 29 ARG CD C 6.536 -8.952 -0.114 1.00 . A A . 29 ARG CD 1 1 1 363 1 1 29 ARG CG C 6.431 -8.230 -1.440 1.00 . A A . 29 ARG CG 1 1 1 364 1 1 29 ARG CZ C 7.313 -11.263 -0.489 1.00 . A A . 29 ARG CZ 1 1 1 365 1 1 29 ARG H H 6.128 -5.722 -2.318 1.00 . A A . 29 ARG H 1 1 1 366 1 1 29 ARG HA H 7.825 -6.201 -0.220 1.00 . A A . 29 ARG HA 1 1 1 367 1 1 29 ARG HB2 H 7.813 -7.561 -2.904 1.00 . A A . 29 ARG HB2 1 1 1 368 1 1 29 ARG HB3 H 8.551 -8.206 -1.441 1.00 . A A . 29 ARG HB3 1 1 1 369 1 1 29 ARG HD2 H 6.791 -8.230 0.646 1.00 . A A . 29 ARG HD2 1 1 1 370 1 1 29 ARG HD3 H 5.580 -9.392 0.117 1.00 . A A . 29 ARG HD3 1 1 1 371 1 1 29 ARG HE H 8.464 -9.751 0.118 1.00 . A A . 29 ARG HE 1 1 1 372 1 1 29 ARG HG2 H 5.686 -7.456 -1.351 1.00 . A A . 29 ARG HG2 1 1 1 373 1 1 29 ARG HG3 H 6.141 -8.934 -2.205 1.00 . A A . 29 ARG HG3 1 1 1 374 1 1 29 ARG HH11 H 5.348 -10.979 -0.876 1.00 . A A . 29 ARG HH11 1 1 1 375 1 1 29 ARG HH12 H 5.925 -12.592 -1.118 1.00 . A A . 29 ARG HH12 1 1 1 376 1 1 29 ARG HH21 H 9.220 -11.871 -0.205 1.00 . A A . 29 ARG HH21 1 1 1 377 1 1 29 ARG HH22 H 8.121 -13.099 -0.738 1.00 . A A . 29 ARG HH22 1 1 1 378 1 1 29 ARG N N 6.826 -5.330 -1.766 1.00 . A A . 29 ARG N 1 1 1 379 1 1 29 ARG NE N 7.553 -10.001 -0.140 1.00 . A A . 29 ARG NE 1 1 1 380 1 1 29 ARG NH1 N 6.095 -11.642 -0.858 1.00 . A A . 29 ARG NH1 1 1 1 381 1 1 29 ARG NH2 N 8.299 -12.151 -0.476 1.00 . A A . 29 ARG NH2 1 1 1 382 1 1 29 ARG O O 10.145 -5.512 -0.793 1.00 . A A . 29 ARG O 1 1 1 383 1 1 30 ALA C C 11.054 -3.499 -2.406 1.00 . A A . 30 ALA C 1 1 1 384 1 1 30 ALA CA C 10.649 -4.629 -3.343 1.00 . A A . 30 ALA CA 1 1 1 385 1 1 30 ALA CB C 10.514 -4.123 -4.772 1.00 . A A . 30 ALA CB 1 1 1 386 1 1 30 ALA H H 8.654 -5.303 -3.505 1.00 . A A . 30 ALA H 1 1 1 387 1 1 30 ALA HA H 11.402 -5.395 -3.320 1.00 . A A . 30 ALA HA 1 1 1 388 1 1 30 ALA HB1 H 9.693 -3.424 -4.830 1.00 . A A . 30 ALA HB1 1 1 1 389 1 1 30 ALA HB2 H 10.326 -4.956 -5.432 1.00 . A A . 30 ALA HB2 1 1 1 390 1 1 30 ALA HB3 H 11.428 -3.629 -5.066 1.00 . A A . 30 ALA HB3 1 1 1 391 1 1 30 ALA N N 9.403 -5.215 -2.888 1.00 . A A . 30 ALA N 1 1 1 392 1 1 30 ALA O O 12.238 -3.210 -2.226 1.00 . A A . 30 ALA O 1 1 1 393 1 1 31 GLN C C 10.605 -2.350 0.526 1.00 . A A . 31 GLN C 1 1 1 394 1 1 31 GLN CA C 10.262 -1.796 -0.850 1.00 . A A . 31 GLN CA 1 1 1 395 1 1 31 GLN CB C 9.024 -0.897 -0.771 1.00 . A A . 31 GLN CB 1 1 1 396 1 1 31 GLN CD C 7.723 0.723 -2.204 1.00 . A A . 31 GLN CD 1 1 1 397 1 1 31 GLN CG C 8.366 -0.647 -2.117 1.00 . A A . 31 GLN CG 1 1 1 398 1 1 31 GLN H H 9.129 -3.186 -1.970 1.00 . A A . 31 GLN H 1 1 1 399 1 1 31 GLN HA H 11.097 -1.211 -1.203 1.00 . A A . 31 GLN HA 1 1 1 400 1 1 31 GLN HB2 H 8.297 -1.357 -0.120 1.00 . A A . 31 GLN HB2 1 1 1 401 1 1 31 GLN HB3 H 9.313 0.057 -0.355 1.00 . A A . 31 GLN HB3 1 1 1 402 1 1 31 GLN HE21 H 9.368 1.461 -3.048 1.00 . A A . 31 GLN HE21 1 1 1 403 1 1 31 GLN HE22 H 8.067 2.586 -2.810 1.00 . A A . 31 GLN HE22 1 1 1 404 1 1 31 GLN HG2 H 9.115 -0.726 -2.890 1.00 . A A . 31 GLN HG2 1 1 1 405 1 1 31 GLN HG3 H 7.605 -1.397 -2.277 1.00 . A A . 31 GLN HG3 1 1 1 406 1 1 31 GLN N N 10.047 -2.881 -1.796 1.00 . A A . 31 GLN N 1 1 1 407 1 1 31 GLN NE2 N 8.460 1.687 -2.741 1.00 . A A . 31 GLN NE2 1 1 1 408 1 1 31 GLN O O 11.754 -2.297 0.964 1.00 . A A . 31 GLN O 1 1 1 409 1 1 31 GLN OE1 O 6.579 0.912 -1.793 1.00 . A A . 31 GLN OE1 1 1 1 410 1 1 32 GLN C C 10.515 -2.504 3.464 1.00 . A A . 32 GLN C 1 1 1 411 1 1 32 GLN CA C 9.753 -3.451 2.537 1.00 . A A . 32 GLN CA 1 1 1 412 1 1 32 GLN CB C 10.470 -4.792 2.439 1.00 . A A . 32 GLN CB 1 1 1 413 1 1 32 GLN CD C 9.739 -7.209 2.456 1.00 . A A . 32 GLN CD 1 1 1 414 1 1 32 GLN CG C 9.793 -5.903 3.225 1.00 . A A . 32 GLN CG 1 1 1 415 1 1 32 GLN H H 8.700 -2.892 0.794 1.00 . A A . 32 GLN H 1 1 1 416 1 1 32 GLN HA H 8.768 -3.614 2.947 1.00 . A A . 32 GLN HA 1 1 1 417 1 1 32 GLN HB2 H 10.505 -5.086 1.401 1.00 . A A . 32 GLN HB2 1 1 1 418 1 1 32 GLN HB3 H 11.477 -4.677 2.808 1.00 . A A . 32 GLN HB3 1 1 1 419 1 1 32 GLN HE21 H 8.085 -6.625 1.513 1.00 . A A . 32 GLN HE21 1 1 1 420 1 1 32 GLN HE22 H 8.679 -8.189 1.090 1.00 . A A . 32 GLN HE22 1 1 1 421 1 1 32 GLN HG2 H 10.340 -6.064 4.141 1.00 . A A . 32 GLN HG2 1 1 1 422 1 1 32 GLN HG3 H 8.783 -5.597 3.458 1.00 . A A . 32 GLN HG3 1 1 1 423 1 1 32 GLN N N 9.588 -2.881 1.204 1.00 . A A . 32 GLN N 1 1 1 424 1 1 32 GLN NE2 N 8.732 -7.356 1.601 1.00 . A A . 32 GLN NE2 1 1 1 425 1 1 32 GLN O O 11.052 -2.922 4.490 1.00 . A A . 32 GLN O 1 1 1 426 1 1 32 GLN OE1 O 10.595 -8.077 2.627 1.00 . A A . 32 GLN OE1 1 1 1 427 1 1 33 GLY C C 10.344 0.970 4.164 1.00 . A A . 33 GLY C 1 1 1 428 1 1 33 GLY CA C 11.227 -0.232 3.904 1.00 . A A . 33 GLY CA 1 1 1 429 1 1 33 GLY H H 10.092 -0.957 2.276 1.00 . A A . 33 GLY H 1 1 1 430 1 1 33 GLY HA2 H 11.509 -0.675 4.848 1.00 . A A . 33 GLY HA2 1 1 1 431 1 1 33 GLY HA3 H 12.117 0.091 3.385 1.00 . A A . 33 GLY HA3 1 1 1 432 1 1 33 GLY N N 10.546 -1.228 3.099 1.00 . A A . 33 GLY N 1 1 1 433 1 1 33 GLY O O 9.704 1.063 5.212 1.00 . A A . 33 GLY O 1 1 1 434 1 1 34 CYS C C 8.007 2.685 3.454 1.00 . A A . 34 CYS C 1 1 1 435 1 1 34 CYS CA C 9.470 3.073 3.324 1.00 . A A . 34 CYS CA 1 1 1 436 1 1 34 CYS CB C 9.663 3.979 2.119 1.00 . A A . 34 CYS CB 1 1 1 437 1 1 34 CYS H H 10.815 1.751 2.388 1.00 . A A . 34 CYS H 1 1 1 438 1 1 34 CYS HA H 9.771 3.589 4.197 1.00 . A A . 34 CYS HA 1 1 1 439 1 1 34 CYS HB2 H 10.685 3.900 1.778 1.00 . A A . 34 CYS HB2 1 1 1 440 1 1 34 CYS HB3 H 9.004 3.649 1.346 1.00 . A A . 34 CYS HB3 1 1 1 441 1 1 34 CYS N N 10.294 1.885 3.202 1.00 . A A . 34 CYS N 1 1 1 442 1 1 34 CYS O O 7.233 3.330 4.159 1.00 . A A . 34 CYS O 1 1 1 443 1 1 34 CYS SG S 9.309 5.740 2.430 1.00 . A A . 34 CYS SG 1 1 1 444 1 1 35 PHE C C 5.849 0.793 4.213 1.00 . A A . 35 PHE C 1 1 1 445 1 1 35 PHE CA C 6.288 1.090 2.784 1.00 . A A . 35 PHE CA 1 1 1 446 1 1 35 PHE CB C 6.226 -0.169 1.904 1.00 . A A . 35 PHE CB 1 1 1 447 1 1 35 PHE CD1 C 3.974 -0.909 2.764 1.00 . A A . 35 PHE CD1 1 1 1 448 1 1 35 PHE CD2 C 5.639 -2.566 2.351 1.00 . A A . 35 PHE CD2 1 1 1 449 1 1 35 PHE CE1 C 3.092 -1.895 3.167 1.00 . A A . 35 PHE CE1 1 1 1 450 1 1 35 PHE CE2 C 4.763 -3.555 2.752 1.00 . A A . 35 PHE CE2 1 1 1 451 1 1 35 PHE CG C 5.257 -1.233 2.352 1.00 . A A . 35 PHE CG 1 1 1 452 1 1 35 PHE CZ C 3.488 -3.220 3.160 1.00 . A A . 35 PHE CZ 1 1 1 453 1 1 35 PHE H H 8.329 1.152 2.233 1.00 . A A . 35 PHE H 1 1 1 454 1 1 35 PHE HA H 5.641 1.842 2.374 1.00 . A A . 35 PHE HA 1 1 1 455 1 1 35 PHE HB2 H 5.950 0.120 0.903 1.00 . A A . 35 PHE HB2 1 1 1 456 1 1 35 PHE HB3 H 7.212 -0.613 1.881 1.00 . A A . 35 PHE HB3 1 1 1 457 1 1 35 PHE HD1 H 3.664 0.126 2.769 1.00 . A A . 35 PHE HD1 1 1 1 458 1 1 35 PHE HD2 H 6.637 -2.829 2.031 1.00 . A A . 35 PHE HD2 1 1 1 459 1 1 35 PHE HE1 H 2.095 -1.631 3.485 1.00 . A A . 35 PHE HE1 1 1 1 460 1 1 35 PHE HE2 H 5.075 -4.590 2.742 1.00 . A A . 35 PHE HE2 1 1 1 461 1 1 35 PHE HZ H 2.802 -3.991 3.476 1.00 . A A . 35 PHE HZ 1 1 1 462 1 1 35 PHE N N 7.649 1.612 2.767 1.00 . A A . 35 PHE N 1 1 1 463 1 1 35 PHE O O 4.694 1.004 4.582 1.00 . A A . 35 PHE O 1 1 1 464 1 1 36 CYS C C 6.349 1.241 7.243 1.00 . A A . 36 CYS C 1 1 1 465 1 1 36 CYS CA C 6.517 -0.024 6.402 1.00 . A A . 36 CYS CA 1 1 1 466 1 1 36 CYS CB C 7.647 -0.883 6.972 1.00 . A A . 36 CYS CB 1 1 1 467 1 1 36 CYS H H 7.683 0.166 4.641 1.00 . A A . 36 CYS H 1 1 1 468 1 1 36 CYS HA H 5.597 -0.588 6.436 1.00 . A A . 36 CYS HA 1 1 1 469 1 1 36 CYS HB2 H 8.187 -1.342 6.157 1.00 . A A . 36 CYS HB2 1 1 1 470 1 1 36 CYS HB3 H 8.321 -0.253 7.534 1.00 . A A . 36 CYS HB3 1 1 1 471 1 1 36 CYS N N 6.786 0.306 5.006 1.00 . A A . 36 CYS N 1 1 1 472 1 1 36 CYS O O 5.369 1.385 7.974 1.00 . A A . 36 CYS O 1 1 1 473 1 1 36 CYS SG S 7.082 -2.215 8.080 1.00 . A A . 36 CYS SG 1 1 1 474 1 1 37 GLN C C 6.189 4.324 7.360 1.00 . A A . 37 GLN C 1 1 1 475 1 1 37 GLN CA C 7.276 3.395 7.887 1.00 . A A . 37 GLN CA 1 1 1 476 1 1 37 GLN CB C 8.635 4.097 7.838 1.00 . A A . 37 GLN CB 1 1 1 477 1 1 37 GLN CD C 10.109 5.480 6.321 1.00 . A A . 37 GLN CD 1 1 1 478 1 1 37 GLN CG C 9.179 4.286 6.432 1.00 . A A . 37 GLN CG 1 1 1 479 1 1 37 GLN H H 8.064 1.982 6.549 1.00 . A A . 37 GLN H 1 1 1 480 1 1 37 GLN HA H 7.052 3.144 8.904 1.00 . A A . 37 GLN HA 1 1 1 481 1 1 37 GLN HB2 H 8.540 5.070 8.296 1.00 . A A . 37 GLN HB2 1 1 1 482 1 1 37 GLN HB3 H 9.349 3.514 8.401 1.00 . A A . 37 GLN HB3 1 1 1 483 1 1 37 GLN HE21 H 10.646 4.936 4.482 1.00 . A A . 37 GLN HE21 1 1 1 484 1 1 37 GLN HE22 H 11.389 6.373 5.086 1.00 . A A . 37 GLN HE22 1 1 1 485 1 1 37 GLN HG2 H 9.724 3.398 6.149 1.00 . A A . 37 GLN HG2 1 1 1 486 1 1 37 GLN HG3 H 8.350 4.429 5.755 1.00 . A A . 37 GLN HG3 1 1 1 487 1 1 37 GLN N N 7.313 2.151 7.138 1.00 . A A . 37 GLN N 1 1 1 488 1 1 37 GLN NE2 N 10.783 5.609 5.181 1.00 . A A . 37 GLN NE2 1 1 1 489 1 1 37 GLN O O 5.705 5.199 8.078 1.00 . A A . 37 GLN O 1 1 1 490 1 1 37 GLN OE1 O 10.222 6.279 7.250 1.00 . A A . 37 GLN OE1 1 1 1 491 1 1 38 TYR C C 3.491 4.923 6.323 1.00 . A A . 38 TYR C 1 1 1 492 1 1 38 TYR CA C 4.765 4.937 5.483 1.00 . A A . 38 TYR CA 1 1 1 493 1 1 38 TYR CB C 4.468 4.429 4.069 1.00 . A A . 38 TYR CB 1 1 1 494 1 1 38 TYR CD1 C 4.450 6.693 2.952 1.00 . A A . 38 TYR CD1 1 1 1 495 1 1 38 TYR CD2 C 5.768 4.965 1.972 1.00 . A A . 38 TYR CD2 1 1 1 496 1 1 38 TYR CE1 C 4.845 7.565 1.955 1.00 . A A . 38 TYR CE1 1 1 1 497 1 1 38 TYR CE2 C 6.168 5.831 0.973 1.00 . A A . 38 TYR CE2 1 1 1 498 1 1 38 TYR CG C 4.903 5.380 2.978 1.00 . A A . 38 TYR CG 1 1 1 499 1 1 38 TYR CZ C 5.704 7.129 0.969 1.00 . A A . 38 TYR CZ 1 1 1 500 1 1 38 TYR H H 6.223 3.406 5.586 1.00 . A A . 38 TYR H 1 1 1 501 1 1 38 TYR HA H 5.131 5.951 5.422 1.00 . A A . 38 TYR HA 1 1 1 502 1 1 38 TYR HB2 H 4.982 3.492 3.916 1.00 . A A . 38 TYR HB2 1 1 1 503 1 1 38 TYR HB3 H 3.404 4.270 3.966 1.00 . A A . 38 TYR HB3 1 1 1 504 1 1 38 TYR HD1 H 3.778 7.031 3.727 1.00 . A A . 38 TYR HD1 1 1 1 505 1 1 38 TYR HD2 H 6.129 3.947 1.978 1.00 . A A . 38 TYR HD2 1 1 1 506 1 1 38 TYR HE1 H 4.482 8.582 1.953 1.00 . A A . 38 TYR HE1 1 1 1 507 1 1 38 TYR HE2 H 6.840 5.489 0.200 1.00 . A A . 38 TYR HE2 1 1 1 508 1 1 38 TYR HH H 5.639 7.780 -0.840 1.00 . A A . 38 TYR HH 1 1 1 509 1 1 38 TYR N N 5.803 4.122 6.105 1.00 . A A . 38 TYR N 1 1 1 510 1 1 38 TYR O O 2.661 5.827 6.227 1.00 . A A . 38 TYR O 1 1 1 511 1 1 38 TYR OH O 6.100 7.995 -0.025 1.00 . A A . 38 TYR OH 1 1 1 512 1 1 39 ALA C C 1.979 4.977 8.895 1.00 . A A . 39 ALA C 1 1 1 513 1 1 39 ALA CA C 2.175 3.752 8.005 1.00 . A A . 39 ALA CA 1 1 1 514 1 1 39 ALA CB C 2.291 2.497 8.855 1.00 . A A . 39 ALA CB 1 1 1 515 1 1 39 ALA H H 4.036 3.198 7.178 1.00 . A A . 39 ALA H 1 1 1 516 1 1 39 ALA HA H 1.317 3.643 7.368 1.00 . A A . 39 ALA HA 1 1 1 517 1 1 39 ALA HB1 H 1.328 2.263 9.285 1.00 . A A . 39 ALA HB1 1 1 1 518 1 1 39 ALA HB2 H 3.008 2.662 9.646 1.00 . A A . 39 ALA HB2 1 1 1 519 1 1 39 ALA HB3 H 2.619 1.673 8.238 1.00 . A A . 39 ALA HB3 1 1 1 520 1 1 39 ALA N N 3.344 3.889 7.148 1.00 . A A . 39 ALA N 1 1 1 521 1 1 39 ALA O O 0.886 5.210 9.411 1.00 . A A . 39 ALA O 1 1 1 522 1 1 40 LYS C C 2.692 8.192 9.056 1.00 . A A . 40 LYS C 1 1 1 523 1 1 40 LYS CA C 2.977 6.957 9.902 1.00 . A A . 40 LYS CA 1 1 1 524 1 1 40 LYS CB C 4.287 7.142 10.670 1.00 . A A . 40 LYS CB 1 1 1 525 1 1 40 LYS CD C 4.584 7.175 13.168 1.00 . A A . 40 LYS CD 1 1 1 526 1 1 40 LYS CE C 3.681 5.981 13.430 1.00 . A A . 40 LYS CE 1 1 1 527 1 1 40 LYS CG C 4.134 7.958 11.945 1.00 . A A . 40 LYS CG 1 1 1 528 1 1 40 LYS H H 3.884 5.524 8.637 1.00 . A A . 40 LYS H 1 1 1 529 1 1 40 LYS HA H 2.173 6.828 10.607 1.00 . A A . 40 LYS HA 1 1 1 530 1 1 40 LYS HB2 H 4.678 6.170 10.932 1.00 . A A . 40 LYS HB2 1 1 1 531 1 1 40 LYS HB3 H 4.997 7.645 10.030 1.00 . A A . 40 LYS HB3 1 1 1 532 1 1 40 LYS HD2 H 5.592 6.822 13.007 1.00 . A A . 40 LYS HD2 1 1 1 533 1 1 40 LYS HD3 H 4.562 7.828 14.029 1.00 . A A . 40 LYS HD3 1 1 1 534 1 1 40 LYS HE2 H 2.653 6.290 13.308 1.00 . A A . 40 LYS HE2 1 1 1 535 1 1 40 LYS HE3 H 3.911 5.208 12.711 1.00 . A A . 40 LYS HE3 1 1 1 536 1 1 40 LYS HG2 H 4.733 8.852 11.862 1.00 . A A . 40 LYS HG2 1 1 1 537 1 1 40 LYS HG3 H 3.095 8.229 12.064 1.00 . A A . 40 LYS HG3 1 1 1 538 1 1 40 LYS HZ1 H 4.801 4.995 14.891 1.00 . A A . 40 LYS HZ1 1 1 1 539 1 1 40 LYS HZ2 H 3.136 4.721 15.004 1.00 . A A . 40 LYS HZ2 1 1 1 540 1 1 40 LYS HZ3 H 3.784 6.201 15.504 1.00 . A A . 40 LYS HZ3 1 1 1 541 1 1 40 LYS N N 3.040 5.758 9.073 1.00 . A A . 40 LYS N 1 1 1 542 1 1 40 LYS NZ N 3.863 5.436 14.803 1.00 . A A . 40 LYS NZ 1 1 1 543 1 1 40 LYS O O 2.188 9.198 9.555 1.00 . A A . 40 LYS O 1 1 1 544 1 1 41 ASP C C 1.321 9.617 6.828 1.00 . A A . 41 ASP C 1 1 1 545 1 1 41 ASP CA C 2.797 9.209 6.847 1.00 . A A . 41 ASP CA 1 1 1 546 1 1 41 ASP CB C 3.252 8.805 5.443 1.00 . A A . 41 ASP CB 1 1 1 547 1 1 41 ASP CG C 3.063 9.913 4.425 1.00 . A A . 41 ASP CG 1 1 1 548 1 1 41 ASP H H 3.413 7.275 7.437 1.00 . A A . 41 ASP H 1 1 1 549 1 1 41 ASP HA H 3.391 10.045 7.181 1.00 . A A . 41 ASP HA 1 1 1 550 1 1 41 ASP HB2 H 4.302 8.549 5.474 1.00 . A A . 41 ASP HB2 1 1 1 551 1 1 41 ASP HB3 H 2.682 7.942 5.124 1.00 . A A . 41 ASP HB3 1 1 1 552 1 1 41 ASP N N 3.016 8.105 7.772 1.00 . A A . 41 ASP N 1 1 1 553 1 1 41 ASP O O 0.459 8.829 6.442 1.00 . A A . 41 ASP O 1 1 1 554 1 1 41 ASP OD1 O 1.936 10.442 4.324 1.00 . A A . 41 ASP OD1 1 1 1 555 1 1 41 ASP OD2 O 4.042 10.252 3.728 1.00 . A A . 41 ASP OD2 1 1 1 556 1 1 42 PRO C C -0.900 11.720 5.903 1.00 . A A . 42 PRO C 1 1 1 557 1 1 42 PRO CA C -0.371 11.354 7.287 1.00 . A A . 42 PRO CA 1 1 1 558 1 1 42 PRO CB C -0.269 12.600 8.165 1.00 . A A . 42 PRO CB 1 1 1 559 1 1 42 PRO CD C 1.970 11.867 7.740 1.00 . A A . 42 PRO CD 1 1 1 560 1 1 42 PRO CG C 1.121 13.091 7.958 1.00 . A A . 42 PRO CG 1 1 1 561 1 1 42 PRO HA H -1.037 10.640 7.747 1.00 . A A . 42 PRO HA 1 1 1 562 1 1 42 PRO HB2 H -1.000 13.329 7.847 1.00 . A A . 42 PRO HB2 1 1 1 563 1 1 42 PRO HB3 H -0.443 12.333 9.197 1.00 . A A . 42 PRO HB3 1 1 1 564 1 1 42 PRO HD2 H 2.730 12.063 6.999 1.00 . A A . 42 PRO HD2 1 1 1 565 1 1 42 PRO HD3 H 2.420 11.551 8.670 1.00 . A A . 42 PRO HD3 1 1 1 566 1 1 42 PRO HG2 H 1.157 13.732 7.089 1.00 . A A . 42 PRO HG2 1 1 1 567 1 1 42 PRO HG3 H 1.455 13.628 8.834 1.00 . A A . 42 PRO HG3 1 1 1 568 1 1 42 PRO N N 1.008 10.857 7.253 1.00 . A A . 42 PRO N 1 1 1 569 1 1 42 PRO O O -2.033 11.389 5.554 1.00 . A A . 42 PRO O 1 1 1 570 1 1 43 THR C C -1.004 11.650 2.964 1.00 . A A . 43 THR C 1 1 1 571 1 1 43 THR CA C -0.464 12.827 3.773 1.00 . A A . 43 THR CA 1 1 1 572 1 1 43 THR CB C 0.726 13.456 3.047 1.00 . A A . 43 THR CB 1 1 1 573 1 1 43 THR CG2 C 1.090 14.829 3.570 1.00 . A A . 43 THR CG2 1 1 1 574 1 1 43 THR H H 0.814 12.648 5.454 1.00 . A A . 43 THR H 1 1 1 575 1 1 43 THR HA H -1.244 13.566 3.870 1.00 . A A . 43 THR HA 1 1 1 576 1 1 43 THR HB H 0.482 13.556 1.999 1.00 . A A . 43 THR HB 1 1 1 577 1 1 43 THR HG1 H 2.204 12.663 4.059 1.00 . A A . 43 THR HG1 1 1 1 578 1 1 43 THR HG21 H 1.043 14.826 4.649 1.00 . A A . 43 THR HG21 1 1 1 579 1 1 43 THR HG22 H 0.394 15.558 3.182 1.00 . A A . 43 THR HG22 1 1 1 580 1 1 43 THR HG23 H 2.090 15.081 3.254 1.00 . A A . 43 THR HG23 1 1 1 581 1 1 43 THR N N -0.075 12.410 5.119 1.00 . A A . 43 THR N 1 1 1 582 1 1 43 THR O O -1.995 11.781 2.245 1.00 . A A . 43 THR O 1 1 1 583 1 1 43 THR OG1 O 1.875 12.634 3.158 1.00 . A A . 43 THR OG1 1 1 1 584 1 1 44 TYR C C -1.646 8.413 3.239 1.00 . A A . 44 TYR C 1 1 1 585 1 1 44 TYR CA C -0.762 9.303 2.366 1.00 . A A . 44 TYR CA 1 1 1 586 1 1 44 TYR CB C 0.464 8.517 1.899 1.00 . A A . 44 TYR CB 1 1 1 587 1 1 44 TYR CD1 C 2.049 10.310 1.094 1.00 . A A . 44 TYR CD1 1 1 1 588 1 1 44 TYR CD2 C 1.192 8.765 -0.506 1.00 . A A . 44 TYR CD2 1 1 1 589 1 1 44 TYR CE1 C 2.768 10.946 0.101 1.00 . A A . 44 TYR CE1 1 1 1 590 1 1 44 TYR CE2 C 1.908 9.397 -1.505 1.00 . A A . 44 TYR CE2 1 1 1 591 1 1 44 TYR CG C 1.250 9.210 0.809 1.00 . A A . 44 TYR CG 1 1 1 592 1 1 44 TYR CZ C 2.695 10.486 -1.196 1.00 . A A . 44 TYR CZ 1 1 1 593 1 1 44 TYR H H 0.436 10.459 3.674 1.00 . A A . 44 TYR H 1 1 1 594 1 1 44 TYR HA H -1.328 9.615 1.501 1.00 . A A . 44 TYR HA 1 1 1 595 1 1 44 TYR HB2 H 1.125 8.365 2.739 1.00 . A A . 44 TYR HB2 1 1 1 596 1 1 44 TYR HB3 H 0.144 7.557 1.521 1.00 . A A . 44 TYR HB3 1 1 1 597 1 1 44 TYR HD1 H 2.105 10.667 2.112 1.00 . A A . 44 TYR HD1 1 1 1 598 1 1 44 TYR HD2 H 0.575 7.912 -0.745 1.00 . A A . 44 TYR HD2 1 1 1 599 1 1 44 TYR HE1 H 3.384 11.800 0.344 1.00 . A A . 44 TYR HE1 1 1 1 600 1 1 44 TYR HE2 H 1.850 9.036 -2.522 1.00 . A A . 44 TYR HE2 1 1 1 601 1 1 44 TYR HH H 4.282 11.347 -1.858 1.00 . A A . 44 TYR HH 1 1 1 602 1 1 44 TYR N N -0.346 10.502 3.086 1.00 . A A . 44 TYR N 1 1 1 603 1 1 44 TYR O O -1.868 7.244 2.923 1.00 . A A . 44 TYR O 1 1 1 604 1 1 44 TYR OH O 3.410 11.118 -2.188 1.00 . A A . 44 TYR OH 1 1 1 605 1 1 45 GLY C C -4.236 7.674 4.545 1.00 . A A . 45 GLY C 1 1 1 606 1 1 45 GLY CA C -2.998 8.212 5.234 1.00 . A A . 45 GLY CA 1 1 1 607 1 1 45 GLY H H -1.937 9.906 4.540 1.00 . A A . 45 GLY H 1 1 1 608 1 1 45 GLY HA2 H -2.432 7.383 5.632 1.00 . A A . 45 GLY HA2 1 1 1 609 1 1 45 GLY HA3 H -3.303 8.851 6.050 1.00 . A A . 45 GLY HA3 1 1 1 610 1 1 45 GLY N N -2.147 8.972 4.337 1.00 . A A . 45 GLY N 1 1 1 611 1 1 45 GLY O O -4.778 6.644 4.945 1.00 . A A . 45 GLY O 1 1 1 612 1 1 46 GLN C C -5.567 6.712 1.928 1.00 . A A . 46 GLN C 1 1 1 613 1 1 46 GLN CA C -5.864 7.954 2.761 1.00 . A A . 46 GLN CA 1 1 1 614 1 1 46 GLN CB C -6.349 9.089 1.856 1.00 . A A . 46 GLN CB 1 1 1 615 1 1 46 GLN CD C -8.284 10.612 1.296 1.00 . A A . 46 GLN CD 1 1 1 616 1 1 46 GLN CG C -7.857 9.276 1.872 1.00 . A A . 46 GLN CG 1 1 1 617 1 1 46 GLN H H -4.211 9.180 3.232 1.00 . A A . 46 GLN H 1 1 1 618 1 1 46 GLN HA H -6.636 7.720 3.475 1.00 . A A . 46 GLN HA 1 1 1 619 1 1 46 GLN HB2 H -5.891 10.012 2.179 1.00 . A A . 46 GLN HB2 1 1 1 620 1 1 46 GLN HB3 H -6.044 8.881 0.841 1.00 . A A . 46 GLN HB3 1 1 1 621 1 1 46 GLN HE21 H -9.259 11.047 2.977 1.00 . A A . 46 GLN HE21 1 1 1 622 1 1 46 GLN HE22 H -9.320 12.255 1.731 1.00 . A A . 46 GLN HE22 1 1 1 623 1 1 46 GLN HG2 H -8.311 8.488 1.288 1.00 . A A . 46 GLN HG2 1 1 1 624 1 1 46 GLN HG3 H -8.204 9.212 2.893 1.00 . A A . 46 GLN HG3 1 1 1 625 1 1 46 GLN N N -4.685 8.370 3.506 1.00 . A A . 46 GLN N 1 1 1 626 1 1 46 GLN NE2 N -9.029 11.382 2.080 1.00 . A A . 46 GLN NE2 1 1 1 627 1 1 46 GLN O O -6.468 5.936 1.609 1.00 . A A . 46 GLN O 1 1 1 628 1 1 46 GLN OE1 O -7.947 10.948 0.161 1.00 . A A . 46 GLN OE1 1 1 1 629 1 1 47 TYR C C -3.847 4.120 1.619 1.00 . A A . 47 TYR C 1 1 1 630 1 1 47 TYR CA C -3.879 5.390 0.778 1.00 . A A . 47 TYR CA 1 1 1 631 1 1 47 TYR CB C -2.503 5.642 0.185 1.00 . A A . 47 TYR CB 1 1 1 632 1 1 47 TYR CD1 C -2.567 5.397 -2.323 1.00 . A A . 47 TYR CD1 1 1 1 633 1 1 47 TYR CD2 C -1.631 3.619 -1.040 1.00 . A A . 47 TYR CD2 1 1 1 634 1 1 47 TYR CE1 C -2.313 4.696 -3.486 1.00 . A A . 47 TYR CE1 1 1 1 635 1 1 47 TYR CE2 C -1.374 2.912 -2.198 1.00 . A A . 47 TYR CE2 1 1 1 636 1 1 47 TYR CG C -2.231 4.870 -1.084 1.00 . A A . 47 TYR CG 1 1 1 637 1 1 47 TYR CZ C -1.716 3.455 -3.418 1.00 . A A . 47 TYR CZ 1 1 1 638 1 1 47 TYR H H -3.627 7.189 1.859 1.00 . A A . 47 TYR H 1 1 1 639 1 1 47 TYR HA H -4.579 5.264 -0.019 1.00 . A A . 47 TYR HA 1 1 1 640 1 1 47 TYR HB2 H -2.394 6.695 -0.034 1.00 . A A . 47 TYR HB2 1 1 1 641 1 1 47 TYR HB3 H -1.770 5.347 0.908 1.00 . A A . 47 TYR HB3 1 1 1 642 1 1 47 TYR HD1 H -3.035 6.370 -2.371 1.00 . A A . 47 TYR HD1 1 1 1 643 1 1 47 TYR HD2 H -1.366 3.197 -0.082 1.00 . A A . 47 TYR HD2 1 1 1 644 1 1 47 TYR HE1 H -2.581 5.122 -4.442 1.00 . A A . 47 TYR HE1 1 1 1 645 1 1 47 TYR HE2 H -0.907 1.940 -2.145 1.00 . A A . 47 TYR HE2 1 1 1 646 1 1 47 TYR HH H -1.597 1.818 -4.418 1.00 . A A . 47 TYR HH 1 1 1 647 1 1 47 TYR N N -4.298 6.534 1.576 1.00 . A A . 47 TYR N 1 1 1 648 1 1 47 TYR O O -4.420 3.098 1.244 1.00 . A A . 47 TYR O 1 1 1 649 1 1 47 TYR OH O -1.458 2.755 -4.574 1.00 . A A . 47 TYR OH 1 1 1 650 1 1 48 ILE C C -4.367 2.726 4.327 1.00 . A A . 48 ILE C 1 1 1 651 1 1 48 ILE CA C -3.040 3.051 3.650 1.00 . A A . 48 ILE CA 1 1 1 652 1 1 48 ILE CB C -1.970 3.298 4.730 1.00 . A A . 48 ILE CB 1 1 1 653 1 1 48 ILE CD1 C 0.458 3.985 5.070 1.00 . A A . 48 ILE CD1 1 1 1 654 1 1 48 ILE CG1 C -0.663 3.757 4.080 1.00 . A A . 48 ILE CG1 1 1 1 655 1 1 48 ILE CG2 C -1.749 2.039 5.557 1.00 . A A . 48 ILE CG2 1 1 1 656 1 1 48 ILE H H -2.721 5.032 2.994 1.00 . A A . 48 ILE H 1 1 1 657 1 1 48 ILE HA H -2.731 2.203 3.060 1.00 . A A . 48 ILE HA 1 1 1 658 1 1 48 ILE HB H -2.328 4.074 5.389 1.00 . A A . 48 ILE HB 1 1 1 659 1 1 48 ILE HD11 H 0.772 3.037 5.481 1.00 . A A . 48 ILE HD11 1 1 1 660 1 1 48 ILE HD12 H 0.109 4.625 5.867 1.00 . A A . 48 ILE HD12 1 1 1 661 1 1 48 ILE HD13 H 1.291 4.455 4.569 1.00 . A A . 48 ILE HD13 1 1 1 662 1 1 48 ILE HG12 H -0.335 3.007 3.377 1.00 . A A . 48 ILE HG12 1 1 1 663 1 1 48 ILE HG13 H -0.836 4.685 3.555 1.00 . A A . 48 ILE HG13 1 1 1 664 1 1 48 ILE HG21 H -0.695 1.919 5.758 1.00 . A A . 48 ILE HG21 1 1 1 665 1 1 48 ILE HG22 H -2.111 1.181 5.010 1.00 . A A . 48 ILE HG22 1 1 1 666 1 1 48 ILE HG23 H -2.285 2.123 6.491 1.00 . A A . 48 ILE HG23 1 1 1 667 1 1 48 ILE N N -3.162 4.192 2.755 1.00 . A A . 48 ILE N 1 1 1 668 1 1 48 ILE O O -4.741 1.559 4.448 1.00 . A A . 48 ILE O 1 1 1 669 1 1 49 ARG C C -7.501 3.354 4.455 1.00 . A A . 49 ARG C 1 1 1 670 1 1 49 ARG CA C -6.361 3.570 5.445 1.00 . A A . 49 ARG CA 1 1 1 671 1 1 49 ARG CB C -6.673 4.760 6.354 1.00 . A A . 49 ARG CB 1 1 1 672 1 1 49 ARG CD C -5.631 6.323 8.023 1.00 . A A . 49 ARG CD 1 1 1 673 1 1 49 ARG CG C -5.730 4.885 7.539 1.00 . A A . 49 ARG CG 1 1 1 674 1 1 49 ARG CZ C -4.590 7.516 9.912 1.00 . A A . 49 ARG CZ 1 1 1 675 1 1 49 ARG H H -4.729 4.668 4.654 1.00 . A A . 49 ARG H 1 1 1 676 1 1 49 ARG HA H -6.275 2.684 6.048 1.00 . A A . 49 ARG HA 1 1 1 677 1 1 49 ARG HB2 H -6.609 5.668 5.773 1.00 . A A . 49 ARG HB2 1 1 1 678 1 1 49 ARG HB3 H -7.680 4.656 6.732 1.00 . A A . 49 ARG HB3 1 1 1 679 1 1 49 ARG HD2 H -4.975 6.867 7.360 1.00 . A A . 49 ARG HD2 1 1 1 680 1 1 49 ARG HD3 H -6.615 6.766 7.998 1.00 . A A . 49 ARG HD3 1 1 1 681 1 1 49 ARG HE H -5.142 5.597 9.934 1.00 . A A . 49 ARG HE 1 1 1 682 1 1 49 ARG HG2 H -6.098 4.269 8.346 1.00 . A A . 49 ARG HG2 1 1 1 683 1 1 49 ARG HG3 H -4.748 4.545 7.243 1.00 . A A . 49 ARG HG3 1 1 1 684 1 1 49 ARG HH11 H -4.867 8.646 8.258 1.00 . A A . 49 ARG HH11 1 1 1 685 1 1 49 ARG HH12 H -4.137 9.461 9.599 1.00 . A A . 49 ARG HH12 1 1 1 686 1 1 49 ARG HH21 H -4.185 6.669 11.702 1.00 . A A . 49 ARG HH21 1 1 1 687 1 1 49 ARG HH22 H -3.749 8.339 11.555 1.00 . A A . 49 ARG HH22 1 1 1 688 1 1 49 ARG N N -5.077 3.760 4.774 1.00 . A A . 49 ARG N 1 1 1 689 1 1 49 ARG NE N -5.107 6.408 9.384 1.00 . A A . 49 ARG NE 1 1 1 690 1 1 49 ARG NH1 N -4.527 8.632 9.197 1.00 . A A . 49 ARG NH1 1 1 1 691 1 1 49 ARG NH2 N -4.138 7.507 11.159 1.00 . A A . 49 ARG NH2 1 1 1 692 1 1 49 ARG O O -8.656 3.664 4.747 1.00 . A A . 49 ARG O 1 1 1 693 1 1 50 SER C C -8.901 1.230 2.577 1.00 . A A . 50 SER C 1 1 1 694 1 1 50 SER CA C -8.168 2.533 2.271 1.00 . A A . 50 SER CA 1 1 1 695 1 1 50 SER CB C -7.505 2.454 0.906 1.00 . A A . 50 SER CB 1 1 1 696 1 1 50 SER H H -6.244 2.569 3.130 1.00 . A A . 50 SER H 1 1 1 697 1 1 50 SER HA H -8.876 3.337 2.265 1.00 . A A . 50 SER HA 1 1 1 698 1 1 50 SER HB2 H -6.611 3.063 0.904 1.00 . A A . 50 SER HB2 1 1 1 699 1 1 50 SER HB3 H -7.248 1.434 0.711 1.00 . A A . 50 SER HB3 1 1 1 700 1 1 50 SER HG H -8.219 2.410 -0.918 1.00 . A A . 50 SER HG 1 1 1 701 1 1 50 SER N N -7.174 2.809 3.295 1.00 . A A . 50 SER N 1 1 1 702 1 1 50 SER O O -8.436 0.430 3.387 1.00 . A A . 50 SER O 1 1 1 703 1 1 50 SER OG O -8.373 2.914 -0.115 1.00 . A A . 50 SER OG 1 1 1 704 1 1 51 PRO C C -10.252 -1.400 1.328 1.00 . A A . 51 PRO C 1 1 1 705 1 1 51 PRO CA C -10.818 -0.232 2.127 1.00 . A A . 51 PRO CA 1 1 1 706 1 1 51 PRO CB C -12.226 0.128 1.629 1.00 . A A . 51 PRO CB 1 1 1 707 1 1 51 PRO CD C -10.668 1.859 0.921 1.00 . A A . 51 PRO CD 1 1 1 708 1 1 51 PRO CG C -12.118 1.452 0.928 1.00 . A A . 51 PRO CG 1 1 1 709 1 1 51 PRO HA H -10.861 -0.501 3.172 1.00 . A A . 51 PRO HA 1 1 1 710 1 1 51 PRO HB2 H -12.572 -0.640 0.954 1.00 . A A . 51 PRO HB2 1 1 1 711 1 1 51 PRO HB3 H -12.896 0.189 2.474 1.00 . A A . 51 PRO HB3 1 1 1 712 1 1 51 PRO HD2 H -10.238 1.685 -0.055 1.00 . A A . 51 PRO HD2 1 1 1 713 1 1 51 PRO HD3 H -10.567 2.898 1.198 1.00 . A A . 51 PRO HD3 1 1 1 714 1 1 51 PRO HG2 H -12.474 1.355 -0.089 1.00 . A A . 51 PRO HG2 1 1 1 715 1 1 51 PRO HG3 H -12.707 2.188 1.456 1.00 . A A . 51 PRO HG3 1 1 1 716 1 1 51 PRO N N -10.048 0.986 1.924 1.00 . A A . 51 PRO N 1 1 1 717 1 1 51 PRO O O -10.090 -2.507 1.841 1.00 . A A . 51 PRO O 1 1 1 718 1 1 52 HIS C C -7.927 -2.319 -0.673 1.00 . A A . 52 HIS C 1 1 1 719 1 1 52 HIS CA C -9.434 -2.138 -0.852 1.00 . A A . 52 HIS CA 1 1 1 720 1 1 52 HIS CB C -9.750 -1.754 -2.306 1.00 . A A . 52 HIS CB 1 1 1 721 1 1 52 HIS CD2 C -12.032 -0.647 -1.742 1.00 . A A . 52 HIS CD2 1 1 1 722 1 1 52 HIS CE1 C -11.980 0.977 -3.208 1.00 . A A . 52 HIS CE1 1 1 1 723 1 1 52 HIS CG C -10.875 -0.767 -2.437 1.00 . A A . 52 HIS CG 1 1 1 724 1 1 52 HIS H H -10.131 -0.229 -0.275 1.00 . A A . 52 HIS H 1 1 1 725 1 1 52 HIS HA H -9.920 -3.074 -0.628 1.00 . A A . 52 HIS HA 1 1 1 726 1 1 52 HIS HB2 H -8.872 -1.316 -2.754 1.00 . A A . 52 HIS HB2 1 1 1 727 1 1 52 HIS HB3 H -10.023 -2.644 -2.854 1.00 . A A . 52 HIS HB3 1 1 1 728 1 1 52 HIS HD1 H -10.168 0.452 -4.005 1.00 . A A . 52 HIS HD1 1 1 1 729 1 1 52 HIS HD2 H -12.357 -1.279 -0.929 1.00 . A A . 52 HIS HD2 1 1 1 730 1 1 52 HIS HE1 H -12.245 1.855 -3.774 1.00 . A A . 52 HIS HE1 1 1 1 731 1 1 52 HIS HE2 H -13.612 0.706 -2.005 1.00 . A A . 52 HIS HE2 1 1 1 732 1 1 52 HIS N N -9.969 -1.133 0.061 1.00 . A A . 52 HIS N 1 1 1 733 1 1 52 HIS ND1 N -10.874 0.266 -3.350 1.00 . A A . 52 HIS ND1 1 1 1 734 1 1 52 HIS NE2 N -12.699 0.441 -2.241 1.00 . A A . 52 HIS NE2 1 1 1 735 1 1 52 HIS O O -7.359 -3.318 -1.113 1.00 . A A . 52 HIS O 1 1 1 736 1 1 53 ALA C C -5.460 -2.599 1.032 1.00 . A A . 53 ALA C 1 1 1 737 1 1 53 ALA CA C -5.847 -1.400 0.184 1.00 . A A . 53 ALA CA 1 1 1 738 1 1 53 ALA CB C -5.362 -0.114 0.836 1.00 . A A . 53 ALA CB 1 1 1 739 1 1 53 ALA H H -7.779 -0.573 0.286 1.00 . A A . 53 ALA H 1 1 1 740 1 1 53 ALA HA H -5.377 -1.485 -0.771 1.00 . A A . 53 ALA HA 1 1 1 741 1 1 53 ALA HB1 H -5.992 0.121 1.681 1.00 . A A . 53 ALA HB1 1 1 1 742 1 1 53 ALA HB2 H -5.406 0.692 0.119 1.00 . A A . 53 ALA HB2 1 1 1 743 1 1 53 ALA HB3 H -4.343 -0.242 1.171 1.00 . A A . 53 ALA HB3 1 1 1 744 1 1 53 ALA N N -7.282 -1.346 -0.036 1.00 . A A . 53 ALA N 1 1 1 745 1 1 53 ALA O O -4.674 -3.449 0.613 1.00 . A A . 53 ALA O 1 1 1 746 1 1 54 ARG C C -6.091 -5.081 2.554 1.00 . A A . 54 ARG C 1 1 1 747 1 1 54 ARG CA C -5.737 -3.732 3.161 1.00 . A A . 54 ARG CA 1 1 1 748 1 1 54 ARG CB C -6.510 -3.532 4.466 1.00 . A A . 54 ARG CB 1 1 1 749 1 1 54 ARG CD C -7.817 -1.625 5.435 1.00 . A A . 54 ARG CD 1 1 1 750 1 1 54 ARG CG C -6.446 -2.116 5.006 1.00 . A A . 54 ARG CG 1 1 1 751 1 1 54 ARG CZ C -8.773 0.349 6.553 1.00 . A A . 54 ARG CZ 1 1 1 752 1 1 54 ARG H H -6.623 -1.935 2.490 1.00 . A A . 54 ARG H 1 1 1 753 1 1 54 ARG HA H -4.686 -3.714 3.370 1.00 . A A . 54 ARG HA 1 1 1 754 1 1 54 ARG HB2 H -7.547 -3.781 4.299 1.00 . A A . 54 ARG HB2 1 1 1 755 1 1 54 ARG HB3 H -6.107 -4.195 5.216 1.00 . A A . 54 ARG HB3 1 1 1 756 1 1 54 ARG HD2 H -8.412 -1.437 4.554 1.00 . A A . 54 ARG HD2 1 1 1 757 1 1 54 ARG HD3 H -8.290 -2.390 6.033 1.00 . A A . 54 ARG HD3 1 1 1 758 1 1 54 ARG HE H -6.834 -0.123 6.509 1.00 . A A . 54 ARG HE 1 1 1 759 1 1 54 ARG HG2 H -5.786 -2.097 5.860 1.00 . A A . 54 ARG HG2 1 1 1 760 1 1 54 ARG HG3 H -6.062 -1.462 4.238 1.00 . A A . 54 ARG HG3 1 1 1 761 1 1 54 ARG HH11 H -10.135 -0.828 5.630 1.00 . A A . 54 ARG HH11 1 1 1 762 1 1 54 ARG HH12 H -10.779 0.568 6.427 1.00 . A A . 54 ARG HH12 1 1 1 763 1 1 54 ARG HH21 H -7.677 1.717 7.559 1.00 . A A . 54 ARG HH21 1 1 1 764 1 1 54 ARG HH22 H -9.383 2.014 7.522 1.00 . A A . 54 ARG HH22 1 1 1 765 1 1 54 ARG N N -6.015 -2.649 2.228 1.00 . A A . 54 ARG N 1 1 1 766 1 1 54 ARG NE N -7.726 -0.401 6.218 1.00 . A A . 54 ARG NE 1 1 1 767 1 1 54 ARG NH1 N -9.996 0.001 6.172 1.00 . A A . 54 ARG NH1 1 1 1 768 1 1 54 ARG NH2 N -8.597 1.450 7.270 1.00 . A A . 54 ARG NH2 1 1 1 769 1 1 54 ARG O O -5.455 -6.094 2.846 1.00 . A A . 54 ARG O 1 1 1 770 1 1 55 ASP C C -6.499 -6.831 0.103 1.00 . A A . 55 ASP C 1 1 1 771 1 1 55 ASP CA C -7.556 -6.309 1.061 1.00 . A A . 55 ASP CA 1 1 1 772 1 1 55 ASP CB C -8.863 -6.075 0.319 1.00 . A A . 55 ASP CB 1 1 1 773 1 1 55 ASP CG C -9.672 -7.347 0.155 1.00 . A A . 55 ASP CG 1 1 1 774 1 1 55 ASP H H -7.573 -4.246 1.523 1.00 . A A . 55 ASP H 1 1 1 775 1 1 55 ASP HA H -7.717 -7.039 1.815 1.00 . A A . 55 ASP HA 1 1 1 776 1 1 55 ASP HB2 H -9.460 -5.355 0.864 1.00 . A A . 55 ASP HB2 1 1 1 777 1 1 55 ASP HB3 H -8.635 -5.689 -0.655 1.00 . A A . 55 ASP HB3 1 1 1 778 1 1 55 ASP N N -7.110 -5.086 1.711 1.00 . A A . 55 ASP N 1 1 1 779 1 1 55 ASP O O -6.200 -8.024 0.078 1.00 . A A . 55 ASP O 1 1 1 780 1 1 55 ASP OD1 O -10.322 -7.768 1.136 1.00 . A A . 55 ASP OD1 1 1 1 781 1 1 55 ASP OD2 O -9.655 -7.922 -0.953 1.00 . A A . 55 ASP OD2 1 1 1 782 1 1 56 THR C C -3.700 -6.889 -0.941 1.00 . A A . 56 THR C 1 1 1 783 1 1 56 THR CA C -4.909 -6.279 -1.639 1.00 . A A . 56 THR CA 1 1 1 784 1 1 56 THR CB C -4.490 -5.055 -2.437 1.00 . A A . 56 THR CB 1 1 1 785 1 1 56 THR CG2 C -3.919 -5.390 -3.798 1.00 . A A . 56 THR CG2 1 1 1 786 1 1 56 THR H H -6.218 -4.998 -0.604 1.00 . A A . 56 THR H 1 1 1 787 1 1 56 THR HA H -5.322 -6.999 -2.308 1.00 . A A . 56 THR HA 1 1 1 788 1 1 56 THR HB H -3.737 -4.537 -1.882 1.00 . A A . 56 THR HB 1 1 1 789 1 1 56 THR HG1 H -5.270 -3.340 -2.969 1.00 . A A . 56 THR HG1 1 1 1 790 1 1 56 THR HG21 H -2.866 -5.608 -3.703 1.00 . A A . 56 THR HG21 1 1 1 791 1 1 56 THR HG22 H -4.055 -4.549 -4.462 1.00 . A A . 56 THR HG22 1 1 1 792 1 1 56 THR HG23 H -4.430 -6.253 -4.200 1.00 . A A . 56 THR HG23 1 1 1 793 1 1 56 THR N N -5.936 -5.926 -0.678 1.00 . A A . 56 THR N 1 1 1 794 1 1 56 THR O O -3.235 -7.967 -1.311 1.00 . A A . 56 THR O 1 1 1 795 1 1 56 THR OG1 O -5.587 -4.180 -2.630 1.00 . A A . 56 THR OG1 1 1 1 796 1 1 57 LEU C C -2.371 -7.960 1.544 1.00 . A A . 57 LEU C 1 1 1 797 1 1 57 LEU CA C -2.049 -6.663 0.822 1.00 . A A . 57 LEU CA 1 1 1 798 1 1 57 LEU CB C -1.601 -5.600 1.817 1.00 . A A . 57 LEU CB 1 1 1 799 1 1 57 LEU CD1 C -0.859 -3.305 1.127 1.00 . A A . 57 LEU CD1 1 1 1 800 1 1 57 LEU CD2 C 0.711 -4.800 2.377 1.00 . A A . 57 LEU CD2 1 1 1 801 1 1 57 LEU CG C -0.421 -4.743 1.361 1.00 . A A . 57 LEU CG 1 1 1 802 1 1 57 LEU H H -3.608 -5.344 0.321 1.00 . A A . 57 LEU H 1 1 1 803 1 1 57 LEU HA H -1.263 -6.840 0.129 1.00 . A A . 57 LEU HA 1 1 1 804 1 1 57 LEU HB2 H -2.437 -4.950 1.996 1.00 . A A . 57 LEU HB2 1 1 1 805 1 1 57 LEU HB3 H -1.330 -6.087 2.744 1.00 . A A . 57 LEU HB3 1 1 1 806 1 1 57 LEU HD11 H -0.586 -2.702 1.981 1.00 . A A . 57 LEU HD11 1 1 1 807 1 1 57 LEU HD12 H -1.930 -3.272 0.991 1.00 . A A . 57 LEU HD12 1 1 1 808 1 1 57 LEU HD13 H -0.371 -2.919 0.244 1.00 . A A . 57 LEU HD13 1 1 1 809 1 1 57 LEU HD21 H 0.321 -5.118 3.333 1.00 . A A . 57 LEU HD21 1 1 1 810 1 1 57 LEU HD22 H 1.153 -3.820 2.477 1.00 . A A . 57 LEU HD22 1 1 1 811 1 1 57 LEU HD23 H 1.461 -5.501 2.043 1.00 . A A . 57 LEU HD23 1 1 1 812 1 1 57 LEU HG H -0.052 -5.133 0.428 1.00 . A A . 57 LEU HG 1 1 1 813 1 1 57 LEU N N -3.197 -6.193 0.072 1.00 . A A . 57 LEU N 1 1 1 814 1 1 57 LEU O O -1.584 -8.907 1.534 1.00 . A A . 57 LEU O 1 1 1 815 1 1 58 THR C C -4.157 -10.345 1.952 1.00 . A A . 58 THR C 1 1 1 816 1 1 58 THR CA C -3.980 -9.165 2.895 1.00 . A A . 58 THR CA 1 1 1 817 1 1 58 THR CB C -5.285 -8.879 3.641 1.00 . A A . 58 THR CB 1 1 1 818 1 1 58 THR CG2 C -5.820 -10.077 4.396 1.00 . A A . 58 THR CG2 1 1 1 819 1 1 58 THR H H -4.111 -7.207 2.132 1.00 . A A . 58 THR H 1 1 1 820 1 1 58 THR HA H -3.212 -9.407 3.606 1.00 . A A . 58 THR HA 1 1 1 821 1 1 58 THR HB H -6.037 -8.575 2.927 1.00 . A A . 58 THR HB 1 1 1 822 1 1 58 THR HG1 H -4.803 -7.041 4.118 1.00 . A A . 58 THR HG1 1 1 1 823 1 1 58 THR HG21 H -6.723 -9.799 4.919 1.00 . A A . 58 THR HG21 1 1 1 824 1 1 58 THR HG22 H -5.081 -10.413 5.108 1.00 . A A . 58 THR HG22 1 1 1 825 1 1 58 THR HG23 H -6.038 -10.873 3.700 1.00 . A A . 58 THR HG23 1 1 1 826 1 1 58 THR N N -3.538 -7.992 2.166 1.00 . A A . 58 THR N 1 1 1 827 1 1 58 THR O O -3.763 -11.467 2.270 1.00 . A A . 58 THR O 1 1 1 828 1 1 58 THR OG1 O -5.108 -7.828 4.575 1.00 . A A . 58 THR OG1 1 1 1 829 1 1 59 SER C C -3.621 -11.866 -0.441 1.00 . A A . 59 SER C 1 1 1 830 1 1 59 SER CA C -4.930 -11.137 -0.205 1.00 . A A . 59 SER CA 1 1 1 831 1 1 59 SER CB C -5.445 -10.549 -1.507 1.00 . A A . 59 SER CB 1 1 1 832 1 1 59 SER H H -5.015 -9.178 0.566 1.00 . A A . 59 SER H 1 1 1 833 1 1 59 SER HA H -5.648 -11.821 0.177 1.00 . A A . 59 SER HA 1 1 1 834 1 1 59 SER HB2 H -6.127 -9.740 -1.290 1.00 . A A . 59 SER HB2 1 1 1 835 1 1 59 SER HB3 H -4.611 -10.179 -2.066 1.00 . A A . 59 SER HB3 1 1 1 836 1 1 59 SER HG H -6.633 -11.092 -2.967 1.00 . A A . 59 SER HG 1 1 1 837 1 1 59 SER N N -4.733 -10.090 0.779 1.00 . A A . 59 SER N 1 1 1 838 1 1 59 SER O O -3.582 -13.088 -0.590 1.00 . A A . 59 SER O 1 1 1 839 1 1 59 SER OG O -6.121 -11.526 -2.280 1.00 . A A . 59 SER OG 1 1 1 840 1 1 60 CYS C C -0.681 -12.189 0.668 1.00 . A A . 60 CYS C 1 1 1 841 1 1 60 CYS CA C -1.216 -11.616 -0.640 1.00 . A A . 60 CYS CA 1 1 1 842 1 1 60 CYS CB C -0.297 -10.509 -1.142 1.00 . A A . 60 CYS CB 1 1 1 843 1 1 60 CYS H H -2.658 -10.129 -0.310 1.00 . A A . 60 CYS H 1 1 1 844 1 1 60 CYS HA H -1.264 -12.402 -1.379 1.00 . A A . 60 CYS HA 1 1 1 845 1 1 60 CYS HB2 H -0.898 -9.721 -1.570 1.00 . A A . 60 CYS HB2 1 1 1 846 1 1 60 CYS HB3 H 0.257 -10.111 -0.306 1.00 . A A . 60 CYS HB3 1 1 1 847 1 1 60 CYS N N -2.549 -11.091 -0.451 1.00 . A A . 60 CYS N 1 1 1 848 1 1 60 CYS O O -0.036 -13.237 0.681 1.00 . A A . 60 CYS O 1 1 1 849 1 1 60 CYS SG S 0.893 -11.049 -2.411 1.00 . A A . 60 CYS SG 1 1 1 850 1 1 61 GLY C C 1.025 -11.995 3.138 1.00 . A A . 61 GLY C 1 1 1 851 1 1 61 GLY CA C -0.486 -11.940 3.063 1.00 . A A . 61 GLY CA 1 1 1 852 1 1 61 GLY H H -1.468 -10.655 1.702 1.00 . A A . 61 GLY H 1 1 1 853 1 1 61 GLY HA2 H -0.850 -11.264 3.822 1.00 . A A . 61 GLY HA2 1 1 1 854 1 1 61 GLY HA3 H -0.882 -12.926 3.253 1.00 . A A . 61 GLY HA3 1 1 1 855 1 1 61 GLY N N -0.951 -11.488 1.769 1.00 . A A . 61 GLY N 1 1 1 856 1 1 61 GLY O O 1.598 -13.034 3.466 1.00 . A A . 61 GLY O 1 1 1 857 1 1 62 LEU C C 3.621 -9.956 4.040 1.00 . A A . 62 LEU C 1 1 1 858 1 1 62 LEU CA C 3.132 -10.815 2.878 1.00 . A A . 62 LEU CA 1 1 1 859 1 1 62 LEU CB C 3.718 -10.290 1.555 1.00 . A A . 62 LEU CB 1 1 1 860 1 1 62 LEU CD1 C 3.109 -7.887 1.097 1.00 . A A . 62 LEU CD1 1 1 1 861 1 1 62 LEU CD2 C 3.078 -9.556 -0.753 1.00 . A A . 62 LEU CD2 1 1 1 862 1 1 62 LEU CG C 2.834 -9.338 0.732 1.00 . A A . 62 LEU CG 1 1 1 863 1 1 62 LEU H H 1.164 -10.076 2.584 1.00 . A A . 62 LEU H 1 1 1 864 1 1 62 LEU HA H 3.489 -11.823 3.032 1.00 . A A . 62 LEU HA 1 1 1 865 1 1 62 LEU HB2 H 4.639 -9.774 1.783 1.00 . A A . 62 LEU HB2 1 1 1 866 1 1 62 LEU HB3 H 3.955 -11.143 0.937 1.00 . A A . 62 LEU HB3 1 1 1 867 1 1 62 LEU HD11 H 3.273 -7.315 0.197 1.00 . A A . 62 LEU HD11 1 1 1 868 1 1 62 LEU HD12 H 3.988 -7.831 1.723 1.00 . A A . 62 LEU HD12 1 1 1 869 1 1 62 LEU HD13 H 2.262 -7.483 1.630 1.00 . A A . 62 LEU HD13 1 1 1 870 1 1 62 LEU HD21 H 2.292 -9.081 -1.320 1.00 . A A . 62 LEU HD21 1 1 1 871 1 1 62 LEU HD22 H 3.086 -10.615 -0.967 1.00 . A A . 62 LEU HD22 1 1 1 872 1 1 62 LEU HD23 H 4.030 -9.126 -1.029 1.00 . A A . 62 LEU HD23 1 1 1 873 1 1 62 LEU HG H 1.792 -9.542 0.932 1.00 . A A . 62 LEU HG 1 1 1 874 1 1 62 LEU N N 1.675 -10.874 2.836 1.00 . A A . 62 LEU N 1 1 1 875 1 1 62 LEU O O 4.340 -10.437 4.916 1.00 . A A . 62 LEU O 1 1 1 876 1 1 63 ALA C C 2.604 -6.683 5.331 1.00 . A A . 63 ALA C 1 1 1 877 1 1 63 ALA CA C 3.642 -7.775 5.100 1.00 . A A . 63 ALA CA 1 1 1 878 1 1 63 ALA CB C 4.997 -7.165 4.774 1.00 . A A . 63 ALA CB 1 1 1 879 1 1 63 ALA H H 2.663 -8.358 3.331 1.00 . A A . 63 ALA H 1 1 1 880 1 1 63 ALA HA H 3.744 -8.351 6.003 1.00 . A A . 63 ALA HA 1 1 1 881 1 1 63 ALA HB1 H 5.390 -7.622 3.878 1.00 . A A . 63 ALA HB1 1 1 1 882 1 1 63 ALA HB2 H 5.677 -7.339 5.595 1.00 . A A . 63 ALA HB2 1 1 1 883 1 1 63 ALA HB3 H 4.887 -6.102 4.618 1.00 . A A . 63 ALA HB3 1 1 1 884 1 1 63 ALA N N 3.234 -8.686 4.045 1.00 . A A . 63 ALA N 1 1 1 885 1 1 63 ALA O O 2.128 -6.054 4.386 1.00 . A A . 63 ALA O 1 1 1 886 1 1 64 VAL C C 1.988 -4.271 7.667 1.00 . A A . 64 VAL C 1 1 1 887 1 1 64 VAL CA C 1.299 -5.439 6.959 1.00 . A A . 64 VAL CA 1 1 1 888 1 1 64 VAL CB C 0.192 -6.019 7.865 1.00 . A A . 64 VAL CB 1 1 1 889 1 1 64 VAL CG1 C 0.725 -6.312 9.261 1.00 . A A . 64 VAL CG1 1 1 1 890 1 1 64 VAL CG2 C -1.000 -5.076 7.927 1.00 . A A . 64 VAL CG2 1 1 1 891 1 1 64 VAL H H 2.680 -6.981 7.299 1.00 . A A . 64 VAL H 1 1 1 892 1 1 64 VAL HA H 0.847 -5.084 6.053 1.00 . A A . 64 VAL HA 1 1 1 893 1 1 64 VAL HB H -0.139 -6.952 7.433 1.00 . A A . 64 VAL HB 1 1 1 894 1 1 64 VAL HG11 H 0.276 -7.220 9.635 1.00 . A A . 64 VAL HG11 1 1 1 895 1 1 64 VAL HG12 H 0.480 -5.491 9.919 1.00 . A A . 64 VAL HG12 1 1 1 896 1 1 64 VAL HG13 H 1.798 -6.431 9.219 1.00 . A A . 64 VAL HG13 1 1 1 897 1 1 64 VAL HG21 H -1.709 -5.439 8.656 1.00 . A A . 64 VAL HG21 1 1 1 898 1 1 64 VAL HG22 H -1.474 -5.029 6.957 1.00 . A A . 64 VAL HG22 1 1 1 899 1 1 64 VAL HG23 H -0.665 -4.090 8.212 1.00 . A A . 64 VAL HG23 1 1 1 900 1 1 64 VAL N N 2.266 -6.456 6.595 1.00 . A A . 64 VAL N 1 1 1 901 1 1 64 VAL O O 2.862 -4.481 8.508 1.00 . A A . 64 VAL O 1 1 1 902 1 1 65 PRO C C 2.067 -1.835 9.472 1.00 . A A . 65 PRO C 1 1 1 903 1 1 65 PRO CA C 2.207 -1.832 7.953 1.00 . A A . 65 PRO CA 1 1 1 904 1 1 65 PRO CB C 1.417 -0.667 7.338 1.00 . A A . 65 PRO CB 1 1 1 905 1 1 65 PRO CD C 0.583 -2.665 6.349 1.00 . A A . 65 PRO CD 1 1 1 906 1 1 65 PRO CG C 0.183 -1.287 6.784 1.00 . A A . 65 PRO CG 1 1 1 907 1 1 65 PRO HA H 3.251 -1.738 7.692 1.00 . A A . 65 PRO HA 1 1 1 908 1 1 65 PRO HB2 H 1.183 0.059 8.102 1.00 . A A . 65 PRO HB2 1 1 1 909 1 1 65 PRO HB3 H 2.005 -0.201 6.561 1.00 . A A . 65 PRO HB3 1 1 1 910 1 1 65 PRO HD2 H -0.259 -3.339 6.399 1.00 . A A . 65 PRO HD2 1 1 1 911 1 1 65 PRO HD3 H 0.996 -2.644 5.352 1.00 . A A . 65 PRO HD3 1 1 1 912 1 1 65 PRO HG2 H -0.574 -1.340 7.553 1.00 . A A . 65 PRO HG2 1 1 1 913 1 1 65 PRO HG3 H -0.173 -0.714 5.942 1.00 . A A . 65 PRO HG3 1 1 1 914 1 1 65 PRO N N 1.611 -3.023 7.338 1.00 . A A . 65 PRO N 1 1 1 915 1 1 65 PRO O O 1.849 -2.881 10.083 1.00 . A A . 65 PRO O 1 1 1 916 1 1 66 HIS C C 3.186 -1.329 12.221 1.00 . A A . 66 HIS C 1 1 1 917 1 1 66 HIS CA C 2.094 -0.525 11.523 1.00 . A A . 66 HIS CA 1 1 1 918 1 1 66 HIS CB C 0.716 -0.985 12.003 1.00 . A A . 66 HIS CB 1 1 1 919 1 1 66 HIS CD2 C -0.790 1.127 12.027 1.00 . A A . 66 HIS CD2 1 1 1 920 1 1 66 HIS CE1 C -2.134 0.581 10.388 1.00 . A A . 66 HIS CE1 1 1 1 921 1 1 66 HIS CG C -0.399 -0.085 11.568 1.00 . A A . 66 HIS CG 1 1 1 922 1 1 66 HIS H H 2.375 0.136 9.533 1.00 . A A . 66 HIS H 1 1 1 923 1 1 66 HIS HA H 2.220 0.519 11.768 1.00 . A A . 66 HIS HA 1 1 1 924 1 1 66 HIS HB2 H 0.516 -1.972 11.613 1.00 . A A . 66 HIS HB2 1 1 1 925 1 1 66 HIS HB3 H 0.712 -1.022 13.082 1.00 . A A . 66 HIS HB3 1 1 1 926 1 1 66 HIS HD1 H -1.240 -1.219 10.004 1.00 . A A . 66 HIS HD1 1 1 1 927 1 1 66 HIS HD2 H -0.337 1.683 12.833 1.00 . A A . 66 HIS HD2 1 1 1 928 1 1 66 HIS HE1 H -2.928 0.610 9.660 1.00 . A A . 66 HIS HE1 1 1 1 929 1 1 66 HIS HE2 H -2.424 2.308 11.447 1.00 . A A . 66 HIS HE2 1 1 1 930 1 1 66 HIS N N 2.199 -0.659 10.075 1.00 . A A . 66 HIS N 1 1 1 931 1 1 66 HIS ND1 N -1.263 -0.399 10.541 1.00 . A A . 66 HIS ND1 1 1 1 932 1 1 66 HIS NE2 N -1.869 1.518 11.277 1.00 . A A . 66 HIS NE2 1 1 1 933 1 1 66 HIS O O 2.987 -1.839 13.324 1.00 . A A . 66 HIS O 1 1 1 934 1 1 67 CYS C C 6.245 -1.320 13.116 1.00 . A A . 67 CYS C 1 1 1 935 1 1 67 CYS CA C 5.466 -2.178 12.124 1.00 . A A . 67 CYS CA 1 1 1 936 1 1 67 CYS CB C 6.394 -2.652 11.003 1.00 . A A . 67 CYS CB 1 1 1 937 1 1 67 CYS H H 4.435 -1.007 10.694 1.00 . A A . 67 CYS H 1 1 1 938 1 1 67 CYS HA H 5.073 -3.039 12.643 1.00 . A A . 67 CYS HA 1 1 1 939 1 1 67 CYS HB2 H 7.266 -3.114 11.440 1.00 . A A . 67 CYS HB2 1 1 1 940 1 1 67 CYS HB3 H 5.872 -3.379 10.399 1.00 . A A . 67 CYS HB3 1 1 1 941 1 1 67 CYS N N 4.339 -1.437 11.569 1.00 . A A . 67 CYS N 1 1 1 942 1 1 67 CYS O O 6.291 -1.690 14.308 1.00 . A A . 67 CYS O 1 1 1 943 1 1 67 CYS OXT O 6.803 -0.286 12.692 1.00 . A A . 67 CYS OXT 1 1 1 944 1 1 67 CYS SG S 6.968 -1.320 9.899 1.00 . A A . 67 CYS SG 1 1 1 945 2 2 1 PGM C1 C -4.626 -8.785 15.980 1.00 . B A . 68 PGM C1 1 1 1 946 2 2 1 PGM C2 C -4.514 -8.115 14.682 1.00 . B A . 68 PGM C2 1 1 1 947 2 2 1 PGM C3 C -4.872 -6.697 14.765 1.00 . B A . 68 PGM C3 1 1 1 948 2 2 1 PGM C7 C -5.517 -4.403 10.127 1.00 . B A . 68 PGM C7 1 1 1 949 2 2 1 PGM C8 C -4.674 -4.071 8.976 1.00 . B A . 68 PGM C8 1 1 1 950 2 2 1 PGM C9 C -5.092 -2.849 8.336 1.00 . B A . 68 PGM C9 1 1 1 951 2 2 1 PGM CA C -3.983 -0.990 7.498 1.00 . B A . 68 PGM CA 1 1 1 952 2 2 1 PGM CB C -2.954 -0.905 6.454 1.00 . B A . 68 PGM CB 1 1 1 953 2 2 1 PGM CC C -3.420 -1.153 5.044 1.00 . B A . 68 PGM CC 1 1 1 954 2 2 1 PGM CD C -2.357 -1.659 4.109 1.00 . B A . 68 PGM CD 1 1 1 955 2 2 1 PGM CE C -1.918 -0.659 3.082 1.00 . B A . 68 PGM CE 1 1 1 956 2 2 1 PGM CF C -0.482 -0.244 3.200 1.00 . B A . 68 PGM CF 1 1 1 957 2 2 1 PGM CG C 0.086 0.397 1.967 1.00 . B A . 68 PGM CG 1 1 1 958 2 2 1 PGM CH C 1.294 1.244 2.191 1.00 . B A . 68 PGM CH 1 1 1 959 2 2 1 PGM CI C 2.108 1.523 0.971 1.00 . B A . 68 PGM CI 1 1 1 960 2 2 1 PGM CJ C 2.257 2.970 0.637 1.00 . B A . 68 PGM CJ 1 1 1 961 2 2 1 PGM CK C 1.510 3.430 -0.572 1.00 . B A . 68 PGM CK 1 1 1 962 2 2 1 PGM CL C 1.860 4.805 -1.053 1.00 . B A . 68 PGM CL 1 1 1 963 2 2 1 PGM CM C 0.805 5.484 -1.866 1.00 . B A . 68 PGM CM 1 1 1 964 2 2 1 PGM CN C 1.102 5.599 -3.327 1.00 . B A . 68 PGM CN 1 1 1 965 2 2 1 PGM CO C 0.893 6.958 -3.914 1.00 . B A . 68 PGM CO 1 1 1 966 2 2 1 PGM CP C 2.061 7.481 -4.697 1.00 . B A . 68 PGM CP 1 1 1 967 2 2 1 PGM O1 O -5.901 -9.368 16.088 1.00 . B A . 68 PGM O1 1 1 1 968 2 2 1 PGM O2 O -3.192 -8.229 14.219 1.00 . B A . 68 PGM O2 1 1 1 969 2 2 1 PGM O4 O -4.453 -6.052 13.554 1.00 . B A . 68 PGM O4 1 1 1 970 2 2 1 PGM O5A O -6.138 -6.899 11.889 1.00 . B A . 68 PGM O5A 1 1 1 971 2 2 1 PGM O5B O -6.506 -4.698 13.091 1.00 . B A . 68 PGM O5B 1 1 1 972 2 2 1 PGM O6 O -4.771 -4.895 11.317 1.00 . B A . 68 PGM O6 1 1 1 973 2 2 1 PGM O8 O -4.502 -5.067 7.998 1.00 . B A . 68 PGM O8 1 1 1 974 2 2 1 PGM OQ1 O -4.809 -0.014 7.540 1.00 . B A . 68 PGM OQ1 1 1 1 975 2 2 1 PGM OQ2 O -3.987 -1.843 8.332 1.00 . B A . 68 PGM OQ2 1 1 1 976 2 2 1 PGM P5 P -5.571 -5.662 12.472 1.00 . B A . 68 PGM P5 1 1 2 977 1 1 1 ALA C C 13.137 3.039 -0.863 1.00 . A A . 1 ALA C 1 1 2 978 1 1 1 ALA CA C 14.514 2.390 -0.958 1.00 . A A . 1 ALA CA 1 1 2 979 1 1 1 ALA CB C 14.385 0.875 -0.944 1.00 . A A . 1 ALA CB 1 1 2 980 1 1 1 ALA H1 H 15.171 2.267 0.987 1.00 . A A . 1 ALA H1 1 1 2 981 1 1 1 ALA H2 H 15.194 3.849 0.323 1.00 . A A . 1 ALA H2 1 1 2 982 1 1 1 ALA H3 H 16.379 2.701 -0.148 1.00 . A A . 1 ALA H3 1 1 2 983 1 1 1 ALA HA H 14.971 2.679 -1.893 1.00 . A A . 1 ALA HA 1 1 2 984 1 1 1 ALA HB1 H 14.288 0.512 -1.957 1.00 . A A . 1 ALA HB1 1 1 2 985 1 1 1 ALA HB2 H 13.511 0.593 -0.376 1.00 . A A . 1 ALA HB2 1 1 2 986 1 1 1 ALA HB3 H 15.265 0.443 -0.490 1.00 . A A . 1 ALA HB3 1 1 2 987 1 1 1 ALA N N 15.394 2.842 0.151 1.00 . A A . 1 ALA N 1 1 2 988 1 1 1 ALA O O 12.275 2.581 -0.112 1.00 . A A . 1 ALA O 1 1 2 989 1 1 2 CYS C C 11.382 5.426 -3.000 1.00 . A A . 2 CYS C 1 1 2 990 1 1 2 CYS CA C 11.664 4.818 -1.630 1.00 . A A . 2 CYS CA 1 1 2 991 1 1 2 CYS CB C 11.667 5.914 -0.562 1.00 . A A . 2 CYS CB 1 1 2 992 1 1 2 CYS H H 13.663 4.424 -2.205 1.00 . A A . 2 CYS H 1 1 2 993 1 1 2 CYS HA H 10.887 4.106 -1.398 1.00 . A A . 2 CYS HA 1 1 2 994 1 1 2 CYS HB2 H 12.308 5.611 0.252 1.00 . A A . 2 CYS HB2 1 1 2 995 1 1 2 CYS HB3 H 12.051 6.827 -0.995 1.00 . A A . 2 CYS HB3 1 1 2 996 1 1 2 CYS N N 12.937 4.107 -1.628 1.00 . A A . 2 CYS N 1 1 2 997 1 1 2 CYS O O 11.461 6.641 -3.182 1.00 . A A . 2 CYS O 1 1 2 998 1 1 2 CYS SG S 10.023 6.279 0.133 1.00 . A A . 2 CYS SG 1 1 2 999 1 1 3 GLN C C 9.455 5.820 -5.352 1.00 . A A . 3 GLN C 1 1 2 1000 1 1 3 GLN CA C 10.755 5.023 -5.317 1.00 . A A . 3 GLN CA 1 1 2 1001 1 1 3 GLN CB C 10.661 3.827 -6.266 1.00 . A A . 3 GLN CB 1 1 2 1002 1 1 3 GLN CD C 11.353 2.839 -8.486 1.00 . A A . 3 GLN CD 1 1 2 1003 1 1 3 GLN CG C 11.242 4.096 -7.645 1.00 . A A . 3 GLN CG 1 1 2 1004 1 1 3 GLN H H 11.003 3.614 -3.757 1.00 . A A . 3 GLN H 1 1 2 1005 1 1 3 GLN HA H 11.564 5.663 -5.637 1.00 . A A . 3 GLN HA 1 1 2 1006 1 1 3 GLN HB2 H 11.193 2.994 -5.831 1.00 . A A . 3 GLN HB2 1 1 2 1007 1 1 3 GLN HB3 H 9.622 3.557 -6.384 1.00 . A A . 3 GLN HB3 1 1 2 1008 1 1 3 GLN HE21 H 13.309 2.748 -8.140 1.00 . A A . 3 GLN HE21 1 1 2 1009 1 1 3 GLN HE22 H 12.664 1.493 -9.137 1.00 . A A . 3 GLN HE22 1 1 2 1010 1 1 3 GLN HG2 H 10.606 4.800 -8.160 1.00 . A A . 3 GLN HG2 1 1 2 1011 1 1 3 GLN HG3 H 12.228 4.521 -7.528 1.00 . A A . 3 GLN HG3 1 1 2 1012 1 1 3 GLN N N 11.050 4.571 -3.963 1.00 . A A . 3 GLN N 1 1 2 1013 1 1 3 GLN NE2 N 12.564 2.306 -8.599 1.00 . A A . 3 GLN NE2 1 1 2 1014 1 1 3 GLN O O 9.315 6.767 -6.126 1.00 . A A . 3 GLN O 1 1 2 1015 1 1 3 GLN OE1 O 10.360 2.351 -9.027 1.00 . A A . 3 GLN OE1 1 1 2 1016 1 1 4 ALA C C 6.480 6.034 -5.777 1.00 . A A . 4 ALA C 1 1 2 1017 1 1 4 ALA CA C 7.215 6.105 -4.440 1.00 . A A . 4 ALA CA 1 1 2 1018 1 1 4 ALA CB C 7.402 7.554 -4.015 1.00 . A A . 4 ALA CB 1 1 2 1019 1 1 4 ALA H H 8.677 4.668 -3.915 1.00 . A A . 4 ALA H 1 1 2 1020 1 1 4 ALA HA H 6.619 5.610 -3.687 1.00 . A A . 4 ALA HA 1 1 2 1021 1 1 4 ALA HB1 H 6.541 7.878 -3.450 1.00 . A A . 4 ALA HB1 1 1 2 1022 1 1 4 ALA HB2 H 7.512 8.175 -4.892 1.00 . A A . 4 ALA HB2 1 1 2 1023 1 1 4 ALA HB3 H 8.288 7.638 -3.403 1.00 . A A . 4 ALA HB3 1 1 2 1024 1 1 4 ALA N N 8.505 5.429 -4.507 1.00 . A A . 4 ALA N 1 1 2 1025 1 1 4 ALA O O 5.569 6.820 -6.036 1.00 . A A . 4 ALA O 1 1 2 1026 1 1 5 SER C C 5.828 3.477 -8.164 1.00 . A A . 5 SER C 1 1 2 1027 1 1 5 SER CA C 6.261 4.924 -7.934 1.00 . A A . 5 SER CA 1 1 2 1028 1 1 5 SER CB C 7.229 5.357 -9.037 1.00 . A A . 5 SER CB 1 1 2 1029 1 1 5 SER H H 7.615 4.496 -6.364 1.00 . A A . 5 SER H 1 1 2 1030 1 1 5 SER HA H 5.388 5.557 -7.967 1.00 . A A . 5 SER HA 1 1 2 1031 1 1 5 SER HB2 H 7.961 6.036 -8.625 1.00 . A A . 5 SER HB2 1 1 2 1032 1 1 5 SER HB3 H 7.729 4.487 -9.436 1.00 . A A . 5 SER HB3 1 1 2 1033 1 1 5 SER HG H 6.208 6.857 -9.777 1.00 . A A . 5 SER HG 1 1 2 1034 1 1 5 SER N N 6.883 5.091 -6.624 1.00 . A A . 5 SER N 1 1 2 1035 1 1 5 SER O O 4.920 3.212 -8.952 1.00 . A A . 5 SER O 1 1 2 1036 1 1 5 SER OG O 6.542 6.012 -10.089 1.00 . A A . 5 SER OG 1 1 2 1037 1 1 6 GLN C C 4.804 0.812 -7.001 1.00 . A A . 6 GLN C 1 1 2 1038 1 1 6 GLN CA C 6.164 1.133 -7.614 1.00 . A A . 6 GLN CA 1 1 2 1039 1 1 6 GLN CB C 7.249 0.282 -6.950 1.00 . A A . 6 GLN CB 1 1 2 1040 1 1 6 GLN CD C 9.220 -1.226 -7.420 1.00 . A A . 6 GLN CD 1 1 2 1041 1 1 6 GLN CG C 8.435 -0.004 -7.856 1.00 . A A . 6 GLN CG 1 1 2 1042 1 1 6 GLN H H 7.192 2.804 -6.870 1.00 . A A . 6 GLN H 1 1 2 1043 1 1 6 GLN HA H 6.138 0.909 -8.663 1.00 . A A . 6 GLN HA 1 1 2 1044 1 1 6 GLN HB2 H 7.609 0.799 -6.073 1.00 . A A . 6 GLN HB2 1 1 2 1045 1 1 6 GLN HB3 H 6.817 -0.661 -6.650 1.00 . A A . 6 GLN HB3 1 1 2 1046 1 1 6 GLN HE21 H 8.753 -2.160 -9.112 1.00 . A A . 6 GLN HE21 1 1 2 1047 1 1 6 GLN HE22 H 9.738 -3.053 -8.010 1.00 . A A . 6 GLN HE22 1 1 2 1048 1 1 6 GLN HG2 H 8.075 -0.166 -8.860 1.00 . A A . 6 GLN HG2 1 1 2 1049 1 1 6 GLN HG3 H 9.095 0.852 -7.845 1.00 . A A . 6 GLN HG3 1 1 2 1050 1 1 6 GLN N N 6.481 2.543 -7.478 1.00 . A A . 6 GLN N 1 1 2 1051 1 1 6 GLN NE2 N 9.239 -2.249 -8.266 1.00 . A A . 6 GLN NE2 1 1 2 1052 1 1 6 GLN O O 4.225 -0.241 -7.267 1.00 . A A . 6 GLN O 1 1 2 1053 1 1 6 GLN OE1 O 9.802 -1.250 -6.335 1.00 . A A . 6 GLN OE1 1 1 2 1054 1 1 7 LEU C C 1.912 2.307 -6.229 1.00 . A A . 7 LEU C 1 1 2 1055 1 1 7 LEU CA C 3.017 1.535 -5.514 1.00 . A A . 7 LEU CA 1 1 2 1056 1 1 7 LEU CB C 3.104 1.982 -4.052 1.00 . A A . 7 LEU CB 1 1 2 1057 1 1 7 LEU CD1 C 4.594 2.709 -2.171 1.00 . A A . 7 LEU CD1 1 1 2 1058 1 1 7 LEU CD2 C 4.736 0.367 -3.043 1.00 . A A . 7 LEU CD2 1 1 2 1059 1 1 7 LEU CG C 4.483 1.824 -3.404 1.00 . A A . 7 LEU CG 1 1 2 1060 1 1 7 LEU H H 4.813 2.540 -5.994 1.00 . A A . 7 LEU H 1 1 2 1061 1 1 7 LEU HA H 2.782 0.482 -5.544 1.00 . A A . 7 LEU HA 1 1 2 1062 1 1 7 LEU HB2 H 2.822 3.023 -4.000 1.00 . A A . 7 LEU HB2 1 1 2 1063 1 1 7 LEU HB3 H 2.394 1.405 -3.479 1.00 . A A . 7 LEU HB3 1 1 2 1064 1 1 7 LEU HD11 H 5.589 3.125 -2.116 1.00 . A A . 7 LEU HD11 1 1 2 1065 1 1 7 LEU HD12 H 4.400 2.120 -1.287 1.00 . A A . 7 LEU HD12 1 1 2 1066 1 1 7 LEU HD13 H 3.872 3.509 -2.236 1.00 . A A . 7 LEU HD13 1 1 2 1067 1 1 7 LEU HD21 H 4.113 -0.270 -3.653 1.00 . A A . 7 LEU HD21 1 1 2 1068 1 1 7 LEU HD22 H 4.502 0.208 -2.000 1.00 . A A . 7 LEU HD22 1 1 2 1069 1 1 7 LEU HD23 H 5.775 0.128 -3.218 1.00 . A A . 7 LEU HD23 1 1 2 1070 1 1 7 LEU HG H 5.245 2.134 -4.108 1.00 . A A . 7 LEU HG 1 1 2 1071 1 1 7 LEU N N 4.303 1.723 -6.173 1.00 . A A . 7 LEU N 1 1 2 1072 1 1 7 LEU O O 0.737 1.950 -6.139 1.00 . A A . 7 LEU O 1 1 2 1073 1 1 8 ALA C C 0.396 3.331 -8.506 1.00 . A A . 8 ALA C 1 1 2 1074 1 1 8 ALA CA C 1.329 4.188 -7.663 1.00 . A A . 8 ALA CA 1 1 2 1075 1 1 8 ALA CB C 2.051 5.205 -8.535 1.00 . A A . 8 ALA CB 1 1 2 1076 1 1 8 ALA H H 3.240 3.607 -6.970 1.00 . A A . 8 ALA H 1 1 2 1077 1 1 8 ALA HA H 0.746 4.722 -6.939 1.00 . A A . 8 ALA HA 1 1 2 1078 1 1 8 ALA HB1 H 2.672 5.834 -7.916 1.00 . A A . 8 ALA HB1 1 1 2 1079 1 1 8 ALA HB2 H 1.325 5.814 -9.054 1.00 . A A . 8 ALA HB2 1 1 2 1080 1 1 8 ALA HB3 H 2.667 4.688 -9.256 1.00 . A A . 8 ALA HB3 1 1 2 1081 1 1 8 ALA N N 2.292 3.368 -6.938 1.00 . A A . 8 ALA N 1 1 2 1082 1 1 8 ALA O O -0.797 3.613 -8.620 1.00 . A A . 8 ALA O 1 1 2 1083 1 1 9 VAL C C -0.933 0.708 -9.130 1.00 . A A . 9 VAL C 1 1 2 1084 1 1 9 VAL CA C 0.186 1.372 -9.925 1.00 . A A . 9 VAL CA 1 1 2 1085 1 1 9 VAL CB C 1.086 0.285 -10.545 1.00 . A A . 9 VAL CB 1 1 2 1086 1 1 9 VAL CG1 C 1.736 -0.559 -9.458 1.00 . A A . 9 VAL CG1 1 1 2 1087 1 1 9 VAL CG2 C 0.290 -0.588 -11.505 1.00 . A A . 9 VAL CG2 1 1 2 1088 1 1 9 VAL H H 1.901 2.120 -8.958 1.00 . A A . 9 VAL H 1 1 2 1089 1 1 9 VAL HA H -0.245 1.948 -10.721 1.00 . A A . 9 VAL HA 1 1 2 1090 1 1 9 VAL HB H 1.871 0.773 -11.104 1.00 . A A . 9 VAL HB 1 1 2 1091 1 1 9 VAL HG11 H 1.020 -1.274 -9.081 1.00 . A A . 9 VAL HG11 1 1 2 1092 1 1 9 VAL HG12 H 2.063 0.082 -8.652 1.00 . A A . 9 VAL HG12 1 1 2 1093 1 1 9 VAL HG13 H 2.586 -1.083 -9.869 1.00 . A A . 9 VAL HG13 1 1 2 1094 1 1 9 VAL HG21 H -0.602 -0.063 -11.813 1.00 . A A . 9 VAL HG21 1 1 2 1095 1 1 9 VAL HG22 H 0.015 -1.508 -11.011 1.00 . A A . 9 VAL HG22 1 1 2 1096 1 1 9 VAL HG23 H 0.894 -0.812 -12.372 1.00 . A A . 9 VAL HG23 1 1 2 1097 1 1 9 VAL N N 0.952 2.283 -9.092 1.00 . A A . 9 VAL N 1 1 2 1098 1 1 9 VAL O O -1.951 0.299 -9.689 1.00 . A A . 9 VAL O 1 1 2 1099 1 1 10 CYS C C -2.783 1.013 -6.549 1.00 . A A . 10 CYS C 1 1 2 1100 1 1 10 CYS CA C -1.720 -0.003 -6.937 1.00 . A A . 10 CYS CA 1 1 2 1101 1 1 10 CYS CB C -1.038 -0.530 -5.678 1.00 . A A . 10 CYS CB 1 1 2 1102 1 1 10 CYS H H 0.097 0.955 -7.441 1.00 . A A . 10 CYS H 1 1 2 1103 1 1 10 CYS HA H -2.186 -0.824 -7.462 1.00 . A A . 10 CYS HA 1 1 2 1104 1 1 10 CYS HB2 H -0.049 -0.873 -5.933 1.00 . A A . 10 CYS HB2 1 1 2 1105 1 1 10 CYS HB3 H -0.960 0.276 -4.960 1.00 . A A . 10 CYS HB3 1 1 2 1106 1 1 10 CYS N N -0.734 0.607 -7.822 1.00 . A A . 10 CYS N 1 1 2 1107 1 1 10 CYS O O -3.947 0.669 -6.345 1.00 . A A . 10 CYS O 1 1 2 1108 1 1 10 CYS SG S -1.920 -1.905 -4.870 1.00 . A A . 10 CYS SG 1 1 2 1109 1 1 11 ALA C C -4.584 3.271 -6.821 1.00 . A A . 11 ALA C 1 1 2 1110 1 1 11 ALA CA C -3.257 3.364 -6.080 1.00 . A A . 11 ALA CA 1 1 2 1111 1 1 11 ALA CB C -2.587 4.704 -6.352 1.00 . A A . 11 ALA CB 1 1 2 1112 1 1 11 ALA H H -1.420 2.464 -6.623 1.00 . A A . 11 ALA H 1 1 2 1113 1 1 11 ALA HA H -3.445 3.293 -5.024 1.00 . A A . 11 ALA HA 1 1 2 1114 1 1 11 ALA HB1 H -3.142 5.239 -7.109 1.00 . A A . 11 ALA HB1 1 1 2 1115 1 1 11 ALA HB2 H -1.577 4.538 -6.696 1.00 . A A . 11 ALA HB2 1 1 2 1116 1 1 11 ALA HB3 H -2.566 5.287 -5.442 1.00 . A A . 11 ALA HB3 1 1 2 1117 1 1 11 ALA N N -2.362 2.269 -6.447 1.00 . A A . 11 ALA N 1 1 2 1118 1 1 11 ALA O O -5.621 3.705 -6.321 1.00 . A A . 11 ALA O 1 1 2 1119 1 1 12 SER C C -6.837 1.835 -8.048 1.00 . A A . 12 SER C 1 1 2 1120 1 1 12 SER CA C -5.730 2.533 -8.833 1.00 . A A . 12 SER CA 1 1 2 1121 1 1 12 SER CB C -5.402 1.732 -10.095 1.00 . A A . 12 SER CB 1 1 2 1122 1 1 12 SER H H -3.681 2.372 -8.349 1.00 . A A . 12 SER H 1 1 2 1123 1 1 12 SER HA H -6.067 3.515 -9.119 1.00 . A A . 12 SER HA 1 1 2 1124 1 1 12 SER HB2 H -4.989 0.774 -9.814 1.00 . A A . 12 SER HB2 1 1 2 1125 1 1 12 SER HB3 H -6.305 1.580 -10.667 1.00 . A A . 12 SER HB3 1 1 2 1126 1 1 12 SER HG H -4.135 1.824 -11.587 1.00 . A A . 12 SER HG 1 1 2 1127 1 1 12 SER N N -4.538 2.696 -8.014 1.00 . A A . 12 SER N 1 1 2 1128 1 1 12 SER O O -8.001 2.233 -8.106 1.00 . A A . 12 SER O 1 1 2 1129 1 1 12 SER OG O -4.458 2.415 -10.902 1.00 . A A . 12 SER OG 1 1 2 1130 1 1 13 ALA C C -7.687 0.727 -5.180 1.00 . A A . 13 ALA C 1 1 2 1131 1 1 13 ALA CA C -7.413 0.038 -6.514 1.00 . A A . 13 ALA CA 1 1 2 1132 1 1 13 ALA CB C -6.902 -1.377 -6.284 1.00 . A A . 13 ALA CB 1 1 2 1133 1 1 13 ALA H H -5.524 0.526 -7.309 1.00 . A A . 13 ALA H 1 1 2 1134 1 1 13 ALA HA H -8.331 -0.025 -7.072 1.00 . A A . 13 ALA HA 1 1 2 1135 1 1 13 ALA HB1 H -7.737 -2.034 -6.089 1.00 . A A . 13 ALA HB1 1 1 2 1136 1 1 13 ALA HB2 H -6.233 -1.384 -5.437 1.00 . A A . 13 ALA HB2 1 1 2 1137 1 1 13 ALA HB3 H -6.375 -1.716 -7.163 1.00 . A A . 13 ALA HB3 1 1 2 1138 1 1 13 ALA N N -6.462 0.793 -7.313 1.00 . A A . 13 ALA N 1 1 2 1139 1 1 13 ALA O O -8.749 0.547 -4.585 1.00 . A A . 13 ALA O 1 1 2 1140 1 1 14 ILE C C -7.924 3.326 -3.565 1.00 . A A . 14 ILE C 1 1 2 1141 1 1 14 ILE CA C -6.863 2.232 -3.454 1.00 . A A . 14 ILE CA 1 1 2 1142 1 1 14 ILE CB C -5.516 2.857 -3.015 1.00 . A A . 14 ILE CB 1 1 2 1143 1 1 14 ILE CD1 C -3.818 1.012 -3.479 1.00 . A A . 14 ILE CD1 1 1 2 1144 1 1 14 ILE CG1 C -4.594 1.783 -2.431 1.00 . A A . 14 ILE CG1 1 1 2 1145 1 1 14 ILE CG2 C -5.730 3.972 -1.999 1.00 . A A . 14 ILE CG2 1 1 2 1146 1 1 14 ILE H H -5.899 1.622 -5.235 1.00 . A A . 14 ILE H 1 1 2 1147 1 1 14 ILE HA H -7.170 1.521 -2.700 1.00 . A A . 14 ILE HA 1 1 2 1148 1 1 14 ILE HB H -5.046 3.286 -3.886 1.00 . A A . 14 ILE HB 1 1 2 1149 1 1 14 ILE HD11 H -3.277 0.206 -3.006 1.00 . A A . 14 ILE HD11 1 1 2 1150 1 1 14 ILE HD12 H -3.119 1.672 -3.971 1.00 . A A . 14 ILE HD12 1 1 2 1151 1 1 14 ILE HD13 H -4.504 0.605 -4.207 1.00 . A A . 14 ILE HD13 1 1 2 1152 1 1 14 ILE HG12 H -3.880 2.254 -1.770 1.00 . A A . 14 ILE HG12 1 1 2 1153 1 1 14 ILE HG13 H -5.187 1.077 -1.868 1.00 . A A . 14 ILE HG13 1 1 2 1154 1 1 14 ILE HG21 H -6.290 4.775 -2.456 1.00 . A A . 14 ILE HG21 1 1 2 1155 1 1 14 ILE HG22 H -4.772 4.345 -1.670 1.00 . A A . 14 ILE HG22 1 1 2 1156 1 1 14 ILE HG23 H -6.277 3.587 -1.151 1.00 . A A . 14 ILE HG23 1 1 2 1157 1 1 14 ILE N N -6.724 1.517 -4.716 1.00 . A A . 14 ILE N 1 1 2 1158 1 1 14 ILE O O -8.934 3.300 -2.861 1.00 . A A . 14 ILE O 1 1 2 1159 1 1 15 LEU C C -9.851 4.948 -5.413 1.00 . A A . 15 LEU C 1 1 2 1160 1 1 15 LEU CA C -8.609 5.397 -4.647 1.00 . A A . 15 LEU CA 1 1 2 1161 1 1 15 LEU CB C -7.917 6.540 -5.393 1.00 . A A . 15 LEU CB 1 1 2 1162 1 1 15 LEU CD1 C -5.815 7.901 -5.505 1.00 . A A . 15 LEU CD1 1 1 2 1163 1 1 15 LEU CD2 C -7.514 8.374 -3.732 1.00 . A A . 15 LEU CD2 1 1 2 1164 1 1 15 LEU CG C -6.861 7.295 -4.583 1.00 . A A . 15 LEU CG 1 1 2 1165 1 1 15 LEU H H -6.856 4.255 -4.976 1.00 . A A . 15 LEU H 1 1 2 1166 1 1 15 LEU HA H -8.913 5.749 -3.673 1.00 . A A . 15 LEU HA 1 1 2 1167 1 1 15 LEU HB2 H -7.443 6.132 -6.273 1.00 . A A . 15 LEU HB2 1 1 2 1168 1 1 15 LEU HB3 H -8.671 7.246 -5.705 1.00 . A A . 15 LEU HB3 1 1 2 1169 1 1 15 LEU HD11 H -5.125 8.495 -4.925 1.00 . A A . 15 LEU HD11 1 1 2 1170 1 1 15 LEU HD12 H -6.301 8.528 -6.238 1.00 . A A . 15 LEU HD12 1 1 2 1171 1 1 15 LEU HD13 H -5.277 7.111 -6.008 1.00 . A A . 15 LEU HD13 1 1 2 1172 1 1 15 LEU HD21 H -6.759 8.875 -3.146 1.00 . A A . 15 LEU HD21 1 1 2 1173 1 1 15 LEU HD22 H -8.241 7.922 -3.074 1.00 . A A . 15 LEU HD22 1 1 2 1174 1 1 15 LEU HD23 H -8.007 9.090 -4.374 1.00 . A A . 15 LEU HD23 1 1 2 1175 1 1 15 LEU HG H -6.362 6.602 -3.922 1.00 . A A . 15 LEU HG 1 1 2 1176 1 1 15 LEU N N -7.682 4.288 -4.448 1.00 . A A . 15 LEU N 1 1 2 1177 1 1 15 LEU O O -10.905 4.714 -4.822 1.00 . A A . 15 LEU O 1 1 2 1178 1 1 16 SER C C -11.398 3.075 -7.123 1.00 . A A . 16 SER C 1 1 2 1179 1 1 16 SER CA C -10.836 4.418 -7.578 1.00 . A A . 16 SER CA 1 1 2 1180 1 1 16 SER CB C -10.390 4.332 -9.040 1.00 . A A . 16 SER CB 1 1 2 1181 1 1 16 SER H H -8.857 5.037 -7.147 1.00 . A A . 16 SER H 1 1 2 1182 1 1 16 SER HA H -11.611 5.165 -7.492 1.00 . A A . 16 SER HA 1 1 2 1183 1 1 16 SER HB2 H -10.809 3.444 -9.491 1.00 . A A . 16 SER HB2 1 1 2 1184 1 1 16 SER HB3 H -10.739 5.204 -9.572 1.00 . A A . 16 SER HB3 1 1 2 1185 1 1 16 SER HG H -8.720 3.420 -9.504 1.00 . A A . 16 SER HG 1 1 2 1186 1 1 16 SER N N -9.721 4.834 -6.732 1.00 . A A . 16 SER N 1 1 2 1187 1 1 16 SER O O -12.558 2.980 -6.722 1.00 . A A . 16 SER O 1 1 2 1188 1 1 16 SER OG O -8.978 4.270 -9.141 1.00 . A A . 16 SER OG 1 1 2 1189 1 1 17 GLY C C -11.391 -0.154 -7.958 1.00 . A A . 17 GLY C 1 1 2 1190 1 1 17 GLY CA C -11.003 0.716 -6.780 1.00 . A A . 17 GLY CA 1 1 2 1191 1 1 17 GLY H H -9.655 2.173 -7.516 1.00 . A A . 17 GLY H 1 1 2 1192 1 1 17 GLY HA2 H -10.201 0.236 -6.241 1.00 . A A . 17 GLY HA2 1 1 2 1193 1 1 17 GLY HA3 H -11.855 0.815 -6.124 1.00 . A A . 17 GLY HA3 1 1 2 1194 1 1 17 GLY N N -10.569 2.039 -7.188 1.00 . A A . 17 GLY N 1 1 2 1195 1 1 17 GLY O O -12.330 -0.946 -7.871 1.00 . A A . 17 GLY O 1 1 2 1196 1 1 18 ALA C C -10.861 -2.281 -9.978 1.00 . A A . 18 ALA C 1 1 2 1197 1 1 18 ALA CA C -10.939 -0.788 -10.264 1.00 . A A . 18 ALA CA 1 1 2 1198 1 1 18 ALA CB C -9.970 -0.400 -11.374 1.00 . A A . 18 ALA CB 1 1 2 1199 1 1 18 ALA H H -9.931 0.639 -9.070 1.00 . A A . 18 ALA H 1 1 2 1200 1 1 18 ALA HA H -11.933 -0.553 -10.594 1.00 . A A . 18 ALA HA 1 1 2 1201 1 1 18 ALA HB1 H -10.518 0.040 -12.193 1.00 . A A . 18 ALA HB1 1 1 2 1202 1 1 18 ALA HB2 H -9.447 -1.279 -11.722 1.00 . A A . 18 ALA HB2 1 1 2 1203 1 1 18 ALA HB3 H -9.256 0.316 -10.993 1.00 . A A . 18 ALA HB3 1 1 2 1204 1 1 18 ALA N N -10.667 -0.008 -9.063 1.00 . A A . 18 ALA N 1 1 2 1205 1 1 18 ALA O O -11.882 -2.946 -9.809 1.00 . A A . 18 ALA O 1 1 2 1206 1 1 19 LYS C C -7.970 -4.406 -9.135 1.00 . A A . 19 LYS C 1 1 2 1207 1 1 19 LYS CA C -9.393 -4.200 -9.652 1.00 . A A . 19 LYS CA 1 1 2 1208 1 1 19 LYS CB C -9.592 -5.034 -10.921 1.00 . A A . 19 LYS CB 1 1 2 1209 1 1 19 LYS CD C -10.975 -3.747 -12.576 1.00 . A A . 19 LYS CD 1 1 2 1210 1 1 19 LYS CE C -10.618 -4.247 -13.966 1.00 . A A . 19 LYS CE 1 1 2 1211 1 1 19 LYS CG C -10.961 -4.875 -11.558 1.00 . A A . 19 LYS CG 1 1 2 1212 1 1 19 LYS H H -8.885 -2.198 -10.059 1.00 . A A . 19 LYS H 1 1 2 1213 1 1 19 LYS HA H -10.091 -4.522 -8.901 1.00 . A A . 19 LYS HA 1 1 2 1214 1 1 19 LYS HB2 H -8.847 -4.744 -11.648 1.00 . A A . 19 LYS HB2 1 1 2 1215 1 1 19 LYS HB3 H -9.453 -6.077 -10.676 1.00 . A A . 19 LYS HB3 1 1 2 1216 1 1 19 LYS HD2 H -11.963 -3.312 -12.604 1.00 . A A . 19 LYS HD2 1 1 2 1217 1 1 19 LYS HD3 H -10.257 -2.997 -12.278 1.00 . A A . 19 LYS HD3 1 1 2 1218 1 1 19 LYS HE2 H -9.908 -5.055 -13.873 1.00 . A A . 19 LYS HE2 1 1 2 1219 1 1 19 LYS HE3 H -11.515 -4.610 -14.446 1.00 . A A . 19 LYS HE3 1 1 2 1220 1 1 19 LYS HG2 H -11.224 -5.796 -12.054 1.00 . A A . 19 LYS HG2 1 1 2 1221 1 1 19 LYS HG3 H -11.681 -4.663 -10.786 1.00 . A A . 19 LYS HG3 1 1 2 1222 1 1 19 LYS HZ1 H -10.746 -2.755 -15.423 1.00 . A A . 19 LYS HZ1 1 1 2 1223 1 1 19 LYS HZ2 H -9.261 -3.565 -15.401 1.00 . A A . 19 LYS HZ2 1 1 2 1224 1 1 19 LYS HZ3 H -9.621 -2.426 -14.203 1.00 . A A . 19 LYS HZ3 1 1 2 1225 1 1 19 LYS N N -9.641 -2.790 -9.919 1.00 . A A . 19 LYS N 1 1 2 1226 1 1 19 LYS NZ N -10.020 -3.173 -14.807 1.00 . A A . 19 LYS NZ 1 1 2 1227 1 1 19 LYS O O -7.046 -3.700 -9.541 1.00 . A A . 19 LYS O 1 1 2 1228 1 1 20 PRO C C -5.507 -6.280 -8.691 1.00 . A A . 20 PRO C 1 1 2 1229 1 1 20 PRO CA C -6.455 -5.674 -7.662 1.00 . A A . 20 PRO CA 1 1 2 1230 1 1 20 PRO CB C -6.760 -6.685 -6.554 1.00 . A A . 20 PRO CB 1 1 2 1231 1 1 20 PRO CD C -8.820 -6.271 -7.693 1.00 . A A . 20 PRO CD 1 1 2 1232 1 1 20 PRO CG C -8.036 -7.331 -6.970 1.00 . A A . 20 PRO CG 1 1 2 1233 1 1 20 PRO HA H -6.003 -4.791 -7.234 1.00 . A A . 20 PRO HA 1 1 2 1234 1 1 20 PRO HB2 H -5.956 -7.403 -6.487 1.00 . A A . 20 PRO HB2 1 1 2 1235 1 1 20 PRO HB3 H -6.869 -6.169 -5.612 1.00 . A A . 20 PRO HB3 1 1 2 1236 1 1 20 PRO HD2 H -9.401 -6.709 -8.491 1.00 . A A . 20 PRO HD2 1 1 2 1237 1 1 20 PRO HD3 H -9.461 -5.741 -7.004 1.00 . A A . 20 PRO HD3 1 1 2 1238 1 1 20 PRO HG2 H -7.829 -8.160 -7.631 1.00 . A A . 20 PRO HG2 1 1 2 1239 1 1 20 PRO HG3 H -8.577 -7.669 -6.100 1.00 . A A . 20 PRO HG3 1 1 2 1240 1 1 20 PRO N N -7.775 -5.380 -8.230 1.00 . A A . 20 PRO N 1 1 2 1241 1 1 20 PRO O O -5.842 -6.384 -9.871 1.00 . A A . 20 PRO O 1 1 2 1242 1 1 21 SER C C -2.135 -7.789 -8.325 1.00 . A A . 21 SER C 1 1 2 1243 1 1 21 SER CA C -3.330 -7.275 -9.120 1.00 . A A . 21 SER CA 1 1 2 1244 1 1 21 SER CB C -2.865 -6.256 -10.162 1.00 . A A . 21 SER CB 1 1 2 1245 1 1 21 SER H H -4.115 -6.570 -7.287 1.00 . A A . 21 SER H 1 1 2 1246 1 1 21 SER HA H -3.795 -8.107 -9.625 1.00 . A A . 21 SER HA 1 1 2 1247 1 1 21 SER HB2 H -1.899 -6.551 -10.544 1.00 . A A . 21 SER HB2 1 1 2 1248 1 1 21 SER HB3 H -3.578 -6.223 -10.973 1.00 . A A . 21 SER HB3 1 1 2 1249 1 1 21 SER HG H -1.895 -4.591 -9.809 1.00 . A A . 21 SER HG 1 1 2 1250 1 1 21 SER N N -4.324 -6.679 -8.237 1.00 . A A . 21 SER N 1 1 2 1251 1 1 21 SER O O -1.669 -7.135 -7.392 1.00 . A A . 21 SER O 1 1 2 1252 1 1 21 SER OG O -2.755 -4.961 -9.597 1.00 . A A . 21 SER OG 1 1 2 1253 1 1 22 GLY C C 0.712 -8.644 -8.038 1.00 . A A . 22 GLY C 1 1 2 1254 1 1 22 GLY CA C -0.506 -9.547 -8.013 1.00 . A A . 22 GLY CA 1 1 2 1255 1 1 22 GLY H H -2.055 -9.441 -9.452 1.00 . A A . 22 GLY H 1 1 2 1256 1 1 22 GLY HA2 H -0.779 -9.736 -6.986 1.00 . A A . 22 GLY HA2 1 1 2 1257 1 1 22 GLY HA3 H -0.254 -10.485 -8.486 1.00 . A A . 22 GLY HA3 1 1 2 1258 1 1 22 GLY N N -1.643 -8.965 -8.701 1.00 . A A . 22 GLY N 1 1 2 1259 1 1 22 GLY O O 1.554 -8.701 -7.144 1.00 . A A . 22 GLY O 1 1 2 1260 1 1 23 GLU C C 2.111 -6.052 -7.959 1.00 . A A . 23 GLU C 1 1 2 1261 1 1 23 GLU CA C 1.922 -6.895 -9.217 1.00 . A A . 23 GLU CA 1 1 2 1262 1 1 23 GLU CB C 1.675 -5.990 -10.420 1.00 . A A . 23 GLU CB 1 1 2 1263 1 1 23 GLU CD C 2.791 -4.070 -11.613 1.00 . A A . 23 GLU CD 1 1 2 1264 1 1 23 GLU CG C 2.948 -5.465 -11.039 1.00 . A A . 23 GLU CG 1 1 2 1265 1 1 23 GLU H H 0.111 -7.810 -9.754 1.00 . A A . 23 GLU H 1 1 2 1266 1 1 23 GLU HA H 2.814 -7.477 -9.390 1.00 . A A . 23 GLU HA 1 1 2 1267 1 1 23 GLU HB2 H 1.136 -6.549 -11.174 1.00 . A A . 23 GLU HB2 1 1 2 1268 1 1 23 GLU HB3 H 1.075 -5.146 -10.106 1.00 . A A . 23 GLU HB3 1 1 2 1269 1 1 23 GLU HG2 H 3.714 -5.445 -10.281 1.00 . A A . 23 GLU HG2 1 1 2 1270 1 1 23 GLU HG3 H 3.241 -6.136 -11.830 1.00 . A A . 23 GLU HG3 1 1 2 1271 1 1 23 GLU N N 0.807 -7.810 -9.069 1.00 . A A . 23 GLU N 1 1 2 1272 1 1 23 GLU O O 3.234 -5.842 -7.502 1.00 . A A . 23 GLU O 1 1 2 1273 1 1 23 GLU OE1 O 2.667 -3.113 -10.821 1.00 . A A . 23 GLU OE1 1 1 2 1274 1 1 23 GLU OE2 O 2.793 -3.936 -12.855 1.00 . A A . 23 GLU OE2 1 1 2 1275 1 1 24 CYS C C 1.763 -5.455 -5.067 1.00 . A A . 24 CYS C 1 1 2 1276 1 1 24 CYS CA C 1.040 -4.744 -6.208 1.00 . A A . 24 CYS CA 1 1 2 1277 1 1 24 CYS CB C -0.379 -4.364 -5.774 1.00 . A A . 24 CYS CB 1 1 2 1278 1 1 24 CYS H H 0.139 -5.765 -7.821 1.00 . A A . 24 CYS H 1 1 2 1279 1 1 24 CYS HA H 1.580 -3.848 -6.452 1.00 . A A . 24 CYS HA 1 1 2 1280 1 1 24 CYS HB2 H -0.889 -3.900 -6.605 1.00 . A A . 24 CYS HB2 1 1 2 1281 1 1 24 CYS HB3 H -0.911 -5.259 -5.486 1.00 . A A . 24 CYS HB3 1 1 2 1282 1 1 24 CYS N N 1.002 -5.568 -7.408 1.00 . A A . 24 CYS N 1 1 2 1283 1 1 24 CYS O O 2.275 -4.814 -4.150 1.00 . A A . 24 CYS O 1 1 2 1284 1 1 24 CYS SG S -0.441 -3.204 -4.369 1.00 . A A . 24 CYS SG 1 1 2 1285 1 1 25 CYS C C 3.978 -7.553 -4.293 1.00 . A A . 25 CYS C 1 1 2 1286 1 1 25 CYS CA C 2.466 -7.575 -4.103 1.00 . A A . 25 CYS CA 1 1 2 1287 1 1 25 CYS CB C 1.960 -9.019 -4.132 1.00 . A A . 25 CYS CB 1 1 2 1288 1 1 25 CYS H H 1.377 -7.234 -5.887 1.00 . A A . 25 CYS H 1 1 2 1289 1 1 25 CYS HA H 2.229 -7.139 -3.143 1.00 . A A . 25 CYS HA 1 1 2 1290 1 1 25 CYS HB2 H 2.065 -9.409 -5.132 1.00 . A A . 25 CYS HB2 1 1 2 1291 1 1 25 CYS HB3 H 2.557 -9.614 -3.456 1.00 . A A . 25 CYS HB3 1 1 2 1292 1 1 25 CYS N N 1.802 -6.781 -5.131 1.00 . A A . 25 CYS N 1 1 2 1293 1 1 25 CYS O O 4.732 -7.368 -3.338 1.00 . A A . 25 CYS O 1 1 2 1294 1 1 25 CYS SG S 0.215 -9.209 -3.643 1.00 . A A . 25 CYS SG 1 1 2 1295 1 1 26 GLY C C 6.440 -6.354 -5.771 1.00 . A A . 26 GLY C 1 1 2 1296 1 1 26 GLY CA C 5.834 -7.742 -5.830 1.00 . A A . 26 GLY CA 1 1 2 1297 1 1 26 GLY H H 3.765 -7.886 -6.255 1.00 . A A . 26 GLY H 1 1 2 1298 1 1 26 GLY HA2 H 6.339 -8.374 -5.114 1.00 . A A . 26 GLY HA2 1 1 2 1299 1 1 26 GLY HA3 H 5.984 -8.147 -6.820 1.00 . A A . 26 GLY HA3 1 1 2 1300 1 1 26 GLY N N 4.414 -7.743 -5.534 1.00 . A A . 26 GLY N 1 1 2 1301 1 1 26 GLY O O 7.589 -6.189 -5.362 1.00 . A A . 26 GLY O 1 1 2 1302 1 1 27 ASN C C 6.448 -3.517 -4.767 1.00 . A A . 27 ASN C 1 1 2 1303 1 1 27 ASN CA C 6.139 -3.979 -6.180 1.00 . A A . 27 ASN CA 1 1 2 1304 1 1 27 ASN CB C 5.098 -3.058 -6.818 1.00 . A A . 27 ASN CB 1 1 2 1305 1 1 27 ASN CG C 4.931 -3.316 -8.302 1.00 . A A . 27 ASN CG 1 1 2 1306 1 1 27 ASN H H 4.767 -5.541 -6.502 1.00 . A A . 27 ASN H 1 1 2 1307 1 1 27 ASN HA H 7.035 -3.944 -6.755 1.00 . A A . 27 ASN HA 1 1 2 1308 1 1 27 ASN HB2 H 4.145 -3.212 -6.335 1.00 . A A . 27 ASN HB2 1 1 2 1309 1 1 27 ASN HB3 H 5.404 -2.031 -6.681 1.00 . A A . 27 ASN HB3 1 1 2 1310 1 1 27 ASN HD21 H 6.766 -2.638 -8.651 1.00 . A A . 27 ASN HD21 1 1 2 1311 1 1 27 ASN HD22 H 5.885 -3.166 -10.039 1.00 . A A . 27 ASN HD22 1 1 2 1312 1 1 27 ASN N N 5.669 -5.352 -6.185 1.00 . A A . 27 ASN N 1 1 2 1313 1 1 27 ASN ND2 N 5.965 -3.009 -9.076 1.00 . A A . 27 ASN ND2 1 1 2 1314 1 1 27 ASN O O 7.580 -3.151 -4.449 1.00 . A A . 27 ASN O 1 1 2 1315 1 1 27 ASN OD1 O 3.884 -3.787 -8.748 1.00 . A A . 27 ASN OD1 1 1 2 1316 1 1 28 LEU C C 6.697 -3.905 -1.859 1.00 . A A . 28 LEU C 1 1 2 1317 1 1 28 LEU CA C 5.572 -3.131 -2.538 1.00 . A A . 28 LEU CA 1 1 2 1318 1 1 28 LEU CB C 4.253 -3.324 -1.785 1.00 . A A . 28 LEU CB 1 1 2 1319 1 1 28 LEU CD1 C 4.626 -4.897 0.121 1.00 . A A . 28 LEU CD1 1 1 2 1320 1 1 28 LEU CD2 C 2.523 -5.048 -1.227 1.00 . A A . 28 LEU CD2 1 1 2 1321 1 1 28 LEU CG C 4.012 -4.735 -1.259 1.00 . A A . 28 LEU CG 1 1 2 1322 1 1 28 LEU H H 4.564 -3.845 -4.251 1.00 . A A . 28 LEU H 1 1 2 1323 1 1 28 LEU HA H 5.822 -2.094 -2.533 1.00 . A A . 28 LEU HA 1 1 2 1324 1 1 28 LEU HB2 H 4.238 -2.642 -0.947 1.00 . A A . 28 LEU HB2 1 1 2 1325 1 1 28 LEU HB3 H 3.442 -3.069 -2.450 1.00 . A A . 28 LEU HB3 1 1 2 1326 1 1 28 LEU HD11 H 5.402 -4.159 0.259 1.00 . A A . 28 LEU HD11 1 1 2 1327 1 1 28 LEU HD12 H 5.049 -5.885 0.214 1.00 . A A . 28 LEU HD12 1 1 2 1328 1 1 28 LEU HD13 H 3.863 -4.761 0.873 1.00 . A A . 28 LEU HD13 1 1 2 1329 1 1 28 LEU HD21 H 2.132 -4.835 -0.243 1.00 . A A . 28 LEU HD21 1 1 2 1330 1 1 28 LEU HD22 H 2.370 -6.092 -1.457 1.00 . A A . 28 LEU HD22 1 1 2 1331 1 1 28 LEU HD23 H 2.012 -4.440 -1.958 1.00 . A A . 28 LEU HD23 1 1 2 1332 1 1 28 LEU HG H 4.491 -5.438 -1.923 1.00 . A A . 28 LEU HG 1 1 2 1333 1 1 28 LEU N N 5.431 -3.542 -3.927 1.00 . A A . 28 LEU N 1 1 2 1334 1 1 28 LEU O O 7.364 -3.396 -0.959 1.00 . A A . 28 LEU O 1 1 2 1335 1 1 29 ARG C C 9.301 -5.379 -1.923 1.00 . A A . 29 ARG C 1 1 2 1336 1 1 29 ARG CA C 7.929 -5.997 -1.752 1.00 . A A . 29 ARG CA 1 1 2 1337 1 1 29 ARG CB C 7.882 -7.373 -2.423 1.00 . A A . 29 ARG CB 1 1 2 1338 1 1 29 ARG CD C 6.078 -8.016 -0.775 1.00 . A A . 29 ARG CD 1 1 2 1339 1 1 29 ARG CG C 7.301 -8.477 -1.553 1.00 . A A . 29 ARG CG 1 1 2 1340 1 1 29 ARG CZ C 6.594 -9.013 1.418 1.00 . A A . 29 ARG CZ 1 1 2 1341 1 1 29 ARG H H 6.329 -5.485 -3.014 1.00 . A A . 29 ARG H 1 1 2 1342 1 1 29 ARG HA H 7.735 -6.102 -0.710 1.00 . A A . 29 ARG HA 1 1 2 1343 1 1 29 ARG HB2 H 7.280 -7.300 -3.317 1.00 . A A . 29 ARG HB2 1 1 2 1344 1 1 29 ARG HB3 H 8.886 -7.658 -2.702 1.00 . A A . 29 ARG HB3 1 1 2 1345 1 1 29 ARG HD2 H 5.789 -7.038 -1.127 1.00 . A A . 29 ARG HD2 1 1 2 1346 1 1 29 ARG HD3 H 5.273 -8.714 -0.953 1.00 . A A . 29 ARG HD3 1 1 2 1347 1 1 29 ARG HE H 6.322 -7.065 1.084 1.00 . A A . 29 ARG HE 1 1 2 1348 1 1 29 ARG HG2 H 7.016 -9.300 -2.187 1.00 . A A . 29 ARG HG2 1 1 2 1349 1 1 29 ARG HG3 H 8.057 -8.804 -0.856 1.00 . A A . 29 ARG HG3 1 1 2 1350 1 1 29 ARG HH11 H 6.460 -10.346 -0.098 1.00 . A A . 29 ARG HH11 1 1 2 1351 1 1 29 ARG HH12 H 6.820 -11.022 1.454 1.00 . A A . 29 ARG HH12 1 1 2 1352 1 1 29 ARG HH21 H 6.795 -7.953 3.127 1.00 . A A . 29 ARG HH21 1 1 2 1353 1 1 29 ARG HH22 H 7.009 -9.665 3.285 1.00 . A A . 29 ARG HH22 1 1 2 1354 1 1 29 ARG N N 6.895 -5.140 -2.301 1.00 . A A . 29 ARG N 1 1 2 1355 1 1 29 ARG NE N 6.338 -7.949 0.661 1.00 . A A . 29 ARG NE 1 1 2 1356 1 1 29 ARG NH1 N 6.627 -10.226 0.880 1.00 . A A . 29 ARG NH1 1 1 2 1357 1 1 29 ARG NH2 N 6.818 -8.865 2.716 1.00 . A A . 29 ARG NH2 1 1 2 1358 1 1 29 ARG O O 10.094 -5.323 -0.983 1.00 . A A . 29 ARG O 1 1 2 1359 1 1 30 ALA C C 11.177 -3.215 -2.382 1.00 . A A . 30 ALA C 1 1 2 1360 1 1 30 ALA CA C 10.848 -4.277 -3.423 1.00 . A A . 30 ALA CA 1 1 2 1361 1 1 30 ALA CB C 10.828 -3.670 -4.818 1.00 . A A . 30 ALA CB 1 1 2 1362 1 1 30 ALA H H 8.895 -4.976 -3.824 1.00 . A A . 30 ALA H 1 1 2 1363 1 1 30 ALA HA H 11.605 -5.040 -3.397 1.00 . A A . 30 ALA HA 1 1 2 1364 1 1 30 ALA HB1 H 11.792 -3.808 -5.284 1.00 . A A . 30 ALA HB1 1 1 2 1365 1 1 30 ALA HB2 H 10.611 -2.614 -4.748 1.00 . A A . 30 ALA HB2 1 1 2 1366 1 1 30 ALA HB3 H 10.067 -4.155 -5.411 1.00 . A A . 30 ALA HB3 1 1 2 1367 1 1 30 ALA N N 9.572 -4.906 -3.125 1.00 . A A . 30 ALA N 1 1 2 1368 1 1 30 ALA O O 12.343 -2.903 -2.139 1.00 . A A . 30 ALA O 1 1 2 1369 1 1 31 GLN C C 10.632 -2.283 0.605 1.00 . A A . 31 GLN C 1 1 2 1370 1 1 31 GLN CA C 10.298 -1.651 -0.739 1.00 . A A . 31 GLN CA 1 1 2 1371 1 1 31 GLN CB C 9.033 -0.793 -0.621 1.00 . A A . 31 GLN CB 1 1 2 1372 1 1 31 GLN CD C 7.973 0.890 -2.171 1.00 . A A . 31 GLN CD 1 1 2 1373 1 1 31 GLN CG C 8.322 -0.566 -1.945 1.00 . A A . 31 GLN CG 1 1 2 1374 1 1 31 GLN H H 9.230 -2.975 -1.995 1.00 . A A . 31 GLN H 1 1 2 1375 1 1 31 GLN HA H 11.121 -1.018 -1.032 1.00 . A A . 31 GLN HA 1 1 2 1376 1 1 31 GLN HB2 H 8.344 -1.275 0.054 1.00 . A A . 31 GLN HB2 1 1 2 1377 1 1 31 GLN HB3 H 9.305 0.171 -0.216 1.00 . A A . 31 GLN HB3 1 1 2 1378 1 1 31 GLN HE21 H 9.670 1.161 -3.175 1.00 . A A . 31 GLN HE21 1 1 2 1379 1 1 31 GLN HE22 H 8.652 2.558 -3.014 1.00 . A A . 31 GLN HE22 1 1 2 1380 1 1 31 GLN HG2 H 8.965 -0.895 -2.747 1.00 . A A . 31 GLN HG2 1 1 2 1381 1 1 31 GLN HG3 H 7.411 -1.145 -1.953 1.00 . A A . 31 GLN HG3 1 1 2 1382 1 1 31 GLN N N 10.134 -2.670 -1.764 1.00 . A A . 31 GLN N 1 1 2 1383 1 1 31 GLN NE2 N 8.853 1.609 -2.856 1.00 . A A . 31 GLN NE2 1 1 2 1384 1 1 31 GLN O O 11.764 -2.197 1.080 1.00 . A A . 31 GLN O 1 1 2 1385 1 1 31 GLN OE1 O 6.925 1.365 -1.732 1.00 . A A . 31 GLN OE1 1 1 2 1386 1 1 32 GLN C C 10.526 -2.652 3.505 1.00 . A A . 32 GLN C 1 1 2 1387 1 1 32 GLN CA C 9.805 -3.564 2.513 1.00 . A A . 32 GLN CA 1 1 2 1388 1 1 32 GLN CB C 10.577 -4.865 2.344 1.00 . A A . 32 GLN CB 1 1 2 1389 1 1 32 GLN CD C 9.690 -7.229 2.326 1.00 . A A . 32 GLN CD 1 1 2 1390 1 1 32 GLN CG C 10.016 -6.012 3.168 1.00 . A A . 32 GLN CG 1 1 2 1391 1 1 32 GLN H H 8.754 -2.950 0.785 1.00 . A A . 32 GLN H 1 1 2 1392 1 1 32 GLN HA H 8.823 -3.789 2.902 1.00 . A A . 32 GLN HA 1 1 2 1393 1 1 32 GLN HB2 H 10.549 -5.148 1.304 1.00 . A A . 32 GLN HB2 1 1 2 1394 1 1 32 GLN HB3 H 11.601 -4.702 2.639 1.00 . A A . 32 GLN HB3 1 1 2 1395 1 1 32 GLN HE21 H 8.562 -6.121 1.121 1.00 . A A . 32 GLN HE21 1 1 2 1396 1 1 32 GLN HE22 H 8.662 -7.799 0.723 1.00 . A A . 32 GLN HE22 1 1 2 1397 1 1 32 GLN HG2 H 10.743 -6.293 3.914 1.00 . A A . 32 GLN HG2 1 1 2 1398 1 1 32 GLN HG3 H 9.112 -5.676 3.654 1.00 . A A . 32 GLN HG3 1 1 2 1399 1 1 32 GLN N N 9.632 -2.917 1.217 1.00 . A A . 32 GLN N 1 1 2 1400 1 1 32 GLN NE2 N 8.891 -7.030 1.285 1.00 . A A . 32 GLN NE2 1 1 2 1401 1 1 32 GLN O O 11.093 -3.118 4.493 1.00 . A A . 32 GLN O 1 1 2 1402 1 1 32 GLN OE1 O 10.151 -8.336 2.608 1.00 . A A . 32 GLN OE1 1 1 2 1403 1 1 33 GLY C C 10.388 0.914 4.187 1.00 . A A . 33 GLY C 1 1 2 1404 1 1 33 GLY CA C 11.148 -0.394 4.106 1.00 . A A . 33 GLY CA 1 1 2 1405 1 1 33 GLY H H 10.030 -1.042 2.432 1.00 . A A . 33 GLY H 1 1 2 1406 1 1 33 GLY HA2 H 11.224 -0.817 5.097 1.00 . A A . 33 GLY HA2 1 1 2 1407 1 1 33 GLY HA3 H 12.142 -0.197 3.732 1.00 . A A . 33 GLY HA3 1 1 2 1408 1 1 33 GLY N N 10.498 -1.352 3.233 1.00 . A A . 33 GLY N 1 1 2 1409 1 1 33 GLY O O 9.644 1.149 5.140 1.00 . A A . 33 GLY O 1 1 2 1410 1 1 34 CYS C C 8.385 2.859 3.152 1.00 . A A . 34 CYS C 1 1 2 1411 1 1 34 CYS CA C 9.893 3.053 3.144 1.00 . A A . 34 CYS CA 1 1 2 1412 1 1 34 CYS CB C 10.305 3.832 1.904 1.00 . A A . 34 CYS CB 1 1 2 1413 1 1 34 CYS H H 11.171 1.525 2.454 1.00 . A A . 34 CYS H 1 1 2 1414 1 1 34 CYS HA H 10.180 3.596 4.006 1.00 . A A . 34 CYS HA 1 1 2 1415 1 1 34 CYS HB2 H 11.331 3.600 1.661 1.00 . A A . 34 CYS HB2 1 1 2 1416 1 1 34 CYS HB3 H 9.670 3.527 1.100 1.00 . A A . 34 CYS HB3 1 1 2 1417 1 1 34 CYS N N 10.570 1.767 3.184 1.00 . A A . 34 CYS N 1 1 2 1418 1 1 34 CYS O O 7.642 3.634 3.753 1.00 . A A . 34 CYS O 1 1 2 1419 1 1 34 CYS SG S 10.161 5.642 2.056 1.00 . A A . 34 CYS SG 1 1 2 1420 1 1 35 PHE C C 5.942 1.285 3.772 1.00 . A A . 35 PHE C 1 1 2 1421 1 1 35 PHE CA C 6.537 1.467 2.384 1.00 . A A . 35 PHE CA 1 1 2 1422 1 1 35 PHE CB C 6.378 0.206 1.518 1.00 . A A . 35 PHE CB 1 1 2 1423 1 1 35 PHE CD1 C 4.129 -0.468 2.447 1.00 . A A . 35 PHE CD1 1 1 2 1424 1 1 35 PHE CD2 C 5.750 -2.166 2.025 1.00 . A A . 35 PHE CD2 1 1 2 1425 1 1 35 PHE CE1 C 3.236 -1.428 2.886 1.00 . A A . 35 PHE CE1 1 1 2 1426 1 1 35 PHE CE2 C 4.862 -3.129 2.459 1.00 . A A . 35 PHE CE2 1 1 2 1427 1 1 35 PHE CG C 5.397 -0.826 2.014 1.00 . A A . 35 PHE CG 1 1 2 1428 1 1 35 PHE CZ C 3.603 -2.761 2.891 1.00 . A A . 35 PHE CZ 1 1 2 1429 1 1 35 PHE H H 8.608 1.236 2.028 1.00 . A A . 35 PHE H 1 1 2 1430 1 1 35 PHE HA H 6.038 2.286 1.906 1.00 . A A . 35 PHE HA 1 1 2 1431 1 1 35 PHE HB2 H 6.060 0.503 0.531 1.00 . A A . 35 PHE HB2 1 1 2 1432 1 1 35 PHE HB3 H 7.344 -0.273 1.443 1.00 . A A . 35 PHE HB3 1 1 2 1433 1 1 35 PHE HD1 H 3.842 0.573 2.444 1.00 . A A . 35 PHE HD1 1 1 2 1434 1 1 35 PHE HD2 H 6.735 -2.455 1.690 1.00 . A A . 35 PHE HD2 1 1 2 1435 1 1 35 PHE HE1 H 2.252 -1.138 3.222 1.00 . A A . 35 PHE HE1 1 1 2 1436 1 1 35 PHE HE2 H 5.152 -4.171 2.456 1.00 . A A . 35 PHE HE2 1 1 2 1437 1 1 35 PHE HZ H 2.906 -3.512 3.232 1.00 . A A . 35 PHE HZ 1 1 2 1438 1 1 35 PHE N N 7.952 1.806 2.477 1.00 . A A . 35 PHE N 1 1 2 1439 1 1 35 PHE O O 4.851 1.774 4.067 1.00 . A A . 35 PHE O 1 1 2 1440 1 1 36 CYS C C 6.159 1.657 6.765 1.00 . A A . 36 CYS C 1 1 2 1441 1 1 36 CYS CA C 6.237 0.345 5.986 1.00 . A A . 36 CYS CA 1 1 2 1442 1 1 36 CYS CB C 7.190 -0.628 6.687 1.00 . A A . 36 CYS CB 1 1 2 1443 1 1 36 CYS H H 7.535 0.237 4.313 1.00 . A A . 36 CYS H 1 1 2 1444 1 1 36 CYS HA H 5.252 -0.095 5.946 1.00 . A A . 36 CYS HA 1 1 2 1445 1 1 36 CYS HB2 H 7.145 -1.585 6.189 1.00 . A A . 36 CYS HB2 1 1 2 1446 1 1 36 CYS HB3 H 8.197 -0.242 6.623 1.00 . A A . 36 CYS HB3 1 1 2 1447 1 1 36 CYS N N 6.675 0.589 4.618 1.00 . A A . 36 CYS N 1 1 2 1448 1 1 36 CYS O O 5.302 1.825 7.634 1.00 . A A . 36 CYS O 1 1 2 1449 1 1 36 CYS SG S 6.812 -0.905 8.450 1.00 . A A . 36 CYS SG 1 1 2 1450 1 1 37 GLN C C 5.791 4.628 6.952 1.00 . A A . 37 GLN C 1 1 2 1451 1 1 37 GLN CA C 7.103 3.874 7.120 1.00 . A A . 37 GLN CA 1 1 2 1452 1 1 37 GLN CB C 8.254 4.722 6.578 1.00 . A A . 37 GLN CB 1 1 2 1453 1 1 37 GLN CD C 10.740 4.957 6.218 1.00 . A A . 37 GLN CD 1 1 2 1454 1 1 37 GLN CG C 9.619 4.073 6.728 1.00 . A A . 37 GLN CG 1 1 2 1455 1 1 37 GLN H H 7.721 2.388 5.757 1.00 . A A . 37 GLN H 1 1 2 1456 1 1 37 GLN HA H 7.265 3.691 8.161 1.00 . A A . 37 GLN HA 1 1 2 1457 1 1 37 GLN HB2 H 8.082 4.910 5.529 1.00 . A A . 37 GLN HB2 1 1 2 1458 1 1 37 GLN HB3 H 8.269 5.665 7.104 1.00 . A A . 37 GLN HB3 1 1 2 1459 1 1 37 GLN HE21 H 9.722 5.318 4.547 1.00 . A A . 37 GLN HE21 1 1 2 1460 1 1 37 GLN HE22 H 11.267 6.083 4.666 1.00 . A A . 37 GLN HE22 1 1 2 1461 1 1 37 GLN HG2 H 9.792 3.865 7.774 1.00 . A A . 37 GLN HG2 1 1 2 1462 1 1 37 GLN HG3 H 9.627 3.147 6.171 1.00 . A A . 37 GLN HG3 1 1 2 1463 1 1 37 GLN N N 7.062 2.582 6.451 1.00 . A A . 37 GLN N 1 1 2 1464 1 1 37 GLN NE2 N 10.558 5.510 5.024 1.00 . A A . 37 GLN NE2 1 1 2 1465 1 1 37 GLN O O 5.354 5.347 7.851 1.00 . A A . 37 GLN O 1 1 2 1466 1 1 37 GLN OE1 O 11.756 5.140 6.888 1.00 . A A . 37 GLN OE1 1 1 2 1467 1 1 38 TYR C C 2.805 4.680 6.449 1.00 . A A . 38 TYR C 1 1 2 1468 1 1 38 TYR CA C 3.911 5.131 5.496 1.00 . A A . 38 TYR CA 1 1 2 1469 1 1 38 TYR CB C 3.497 4.867 4.047 1.00 . A A . 38 TYR CB 1 1 2 1470 1 1 38 TYR CD1 C 4.517 6.955 3.059 1.00 . A A . 38 TYR CD1 1 1 2 1471 1 1 38 TYR CD2 C 5.047 4.860 2.055 1.00 . A A . 38 TYR CD2 1 1 2 1472 1 1 38 TYR CE1 C 5.316 7.604 2.137 1.00 . A A . 38 TYR CE1 1 1 2 1473 1 1 38 TYR CE2 C 5.849 5.501 1.130 1.00 . A A . 38 TYR CE2 1 1 2 1474 1 1 38 TYR CG C 4.369 5.574 3.034 1.00 . A A . 38 TYR CG 1 1 2 1475 1 1 38 TYR CZ C 5.980 6.873 1.175 1.00 . A A . 38 TYR CZ 1 1 2 1476 1 1 38 TYR H H 5.579 3.878 5.120 1.00 . A A . 38 TYR H 1 1 2 1477 1 1 38 TYR HA H 4.064 6.191 5.626 1.00 . A A . 38 TYR HA 1 1 2 1478 1 1 38 TYR HB2 H 3.553 3.807 3.851 1.00 . A A . 38 TYR HB2 1 1 2 1479 1 1 38 TYR HB3 H 2.480 5.202 3.904 1.00 . A A . 38 TYR HB3 1 1 2 1480 1 1 38 TYR HD1 H 3.996 7.525 3.814 1.00 . A A . 38 TYR HD1 1 1 2 1481 1 1 38 TYR HD2 H 4.940 3.788 2.021 1.00 . A A . 38 TYR HD2 1 1 2 1482 1 1 38 TYR HE1 H 5.419 8.678 2.174 1.00 . A A . 38 TYR HE1 1 1 2 1483 1 1 38 TYR HE2 H 6.370 4.928 0.377 1.00 . A A . 38 TYR HE2 1 1 2 1484 1 1 38 TYR HH H 7.530 7.908 0.703 1.00 . A A . 38 TYR HH 1 1 2 1485 1 1 38 TYR N N 5.173 4.462 5.793 1.00 . A A . 38 TYR N 1 1 2 1486 1 1 38 TYR O O 1.760 5.323 6.546 1.00 . A A . 38 TYR O 1 1 2 1487 1 1 38 TYR OH O 6.777 7.515 0.256 1.00 . A A . 38 TYR OH 1 1 2 1488 1 1 39 ALA C C 1.528 4.131 9.018 1.00 . A A . 39 ALA C 1 1 2 1489 1 1 39 ALA CA C 2.064 3.042 8.095 1.00 . A A . 39 ALA CA 1 1 2 1490 1 1 39 ALA CB C 2.683 1.916 8.909 1.00 . A A . 39 ALA CB 1 1 2 1491 1 1 39 ALA H H 3.887 3.101 7.034 1.00 . A A . 39 ALA H 1 1 2 1492 1 1 39 ALA HA H 1.247 2.635 7.527 1.00 . A A . 39 ALA HA 1 1 2 1493 1 1 39 ALA HB1 H 2.047 1.689 9.751 1.00 . A A . 39 ALA HB1 1 1 2 1494 1 1 39 ALA HB2 H 3.655 2.223 9.265 1.00 . A A . 39 ALA HB2 1 1 2 1495 1 1 39 ALA HB3 H 2.787 1.038 8.289 1.00 . A A . 39 ALA HB3 1 1 2 1496 1 1 39 ALA N N 3.039 3.573 7.152 1.00 . A A . 39 ALA N 1 1 2 1497 1 1 39 ALA O O 0.394 4.058 9.491 1.00 . A A . 39 ALA O 1 1 2 1498 1 1 40 LYS C C 1.988 7.571 9.378 1.00 . A A . 40 LYS C 1 1 2 1499 1 1 40 LYS CA C 1.972 6.247 10.135 1.00 . A A . 40 LYS CA 1 1 2 1500 1 1 40 LYS CB C 2.908 6.322 11.344 1.00 . A A . 40 LYS CB 1 1 2 1501 1 1 40 LYS CD C 3.357 5.430 13.650 1.00 . A A . 40 LYS CD 1 1 2 1502 1 1 40 LYS CE C 4.124 4.179 13.253 1.00 . A A . 40 LYS CE 1 1 2 1503 1 1 40 LYS CG C 2.292 5.779 12.623 1.00 . A A . 40 LYS CG 1 1 2 1504 1 1 40 LYS H H 3.243 5.131 8.859 1.00 . A A . 40 LYS H 1 1 2 1505 1 1 40 LYS HA H 0.970 6.062 10.480 1.00 . A A . 40 LYS HA 1 1 2 1506 1 1 40 LYS HB2 H 3.800 5.753 11.130 1.00 . A A . 40 LYS HB2 1 1 2 1507 1 1 40 LYS HB3 H 3.181 7.353 11.512 1.00 . A A . 40 LYS HB3 1 1 2 1508 1 1 40 LYS HD2 H 4.050 6.254 13.730 1.00 . A A . 40 LYS HD2 1 1 2 1509 1 1 40 LYS HD3 H 2.882 5.263 14.605 1.00 . A A . 40 LYS HD3 1 1 2 1510 1 1 40 LYS HE2 H 3.435 3.475 12.809 1.00 . A A . 40 LYS HE2 1 1 2 1511 1 1 40 LYS HE3 H 4.879 4.449 12.529 1.00 . A A . 40 LYS HE3 1 1 2 1512 1 1 40 LYS HG2 H 1.635 6.527 13.042 1.00 . A A . 40 LYS HG2 1 1 2 1513 1 1 40 LYS HG3 H 1.725 4.889 12.389 1.00 . A A . 40 LYS HG3 1 1 2 1514 1 1 40 LYS HZ1 H 4.987 2.538 14.215 1.00 . A A . 40 LYS HZ1 1 1 2 1515 1 1 40 LYS HZ2 H 4.162 3.585 15.256 1.00 . A A . 40 LYS HZ2 1 1 2 1516 1 1 40 LYS HZ3 H 5.676 4.023 14.643 1.00 . A A . 40 LYS HZ3 1 1 2 1517 1 1 40 LYS N N 2.354 5.137 9.267 1.00 . A A . 40 LYS N 1 1 2 1518 1 1 40 LYS NZ N 4.783 3.536 14.424 1.00 . A A . 40 LYS NZ 1 1 2 1519 1 1 40 LYS O O 1.253 8.500 9.714 1.00 . A A . 40 LYS O 1 1 2 1520 1 1 41 ASP C C 1.607 9.198 6.887 1.00 . A A . 41 ASP C 1 1 2 1521 1 1 41 ASP CA C 2.943 8.857 7.547 1.00 . A A . 41 ASP CA 1 1 2 1522 1 1 41 ASP CB C 4.019 8.674 6.476 1.00 . A A . 41 ASP CB 1 1 2 1523 1 1 41 ASP CG C 4.548 9.996 5.957 1.00 . A A . 41 ASP CG 1 1 2 1524 1 1 41 ASP H H 3.385 6.876 8.140 1.00 . A A . 41 ASP H 1 1 2 1525 1 1 41 ASP HA H 3.233 9.667 8.199 1.00 . A A . 41 ASP HA 1 1 2 1526 1 1 41 ASP HB2 H 4.846 8.117 6.896 1.00 . A A . 41 ASP HB2 1 1 2 1527 1 1 41 ASP HB3 H 3.600 8.122 5.646 1.00 . A A . 41 ASP HB3 1 1 2 1528 1 1 41 ASP N N 2.829 7.649 8.356 1.00 . A A . 41 ASP N 1 1 2 1529 1 1 41 ASP O O 1.181 8.518 5.953 1.00 . A A . 41 ASP O 1 1 2 1530 1 1 41 ASP OD1 O 3.849 11.019 6.116 1.00 . A A . 41 ASP OD1 1 1 2 1531 1 1 41 ASP OD2 O 5.662 10.009 5.391 1.00 . A A . 41 ASP OD2 1 1 2 1532 1 1 42 PRO C C -0.227 11.535 5.559 1.00 . A A . 42 PRO C 1 1 2 1533 1 1 42 PRO CA C -0.369 10.677 6.816 1.00 . A A . 42 PRO CA 1 1 2 1534 1 1 42 PRO CB C -0.997 11.502 7.952 1.00 . A A . 42 PRO CB 1 1 2 1535 1 1 42 PRO CD C 1.329 11.123 8.468 1.00 . A A . 42 PRO CD 1 1 2 1536 1 1 42 PRO CG C 0.012 11.536 9.061 1.00 . A A . 42 PRO CG 1 1 2 1537 1 1 42 PRO HA H -0.999 9.827 6.597 1.00 . A A . 42 PRO HA 1 1 2 1538 1 1 42 PRO HB2 H -1.216 12.497 7.595 1.00 . A A . 42 PRO HB2 1 1 2 1539 1 1 42 PRO HB3 H -1.913 11.027 8.274 1.00 . A A . 42 PRO HB3 1 1 2 1540 1 1 42 PRO HD2 H 1.871 11.985 8.108 1.00 . A A . 42 PRO HD2 1 1 2 1541 1 1 42 PRO HD3 H 1.915 10.578 9.193 1.00 . A A . 42 PRO HD3 1 1 2 1542 1 1 42 PRO HG2 H 0.082 12.537 9.458 1.00 . A A . 42 PRO HG2 1 1 2 1543 1 1 42 PRO HG3 H -0.279 10.846 9.839 1.00 . A A . 42 PRO HG3 1 1 2 1544 1 1 42 PRO N N 0.921 10.256 7.362 1.00 . A A . 42 PRO N 1 1 2 1545 1 1 42 PRO O O -0.981 12.489 5.364 1.00 . A A . 42 PRO O 1 1 2 1546 1 1 43 THR C C -0.203 11.752 2.512 1.00 . A A . 43 THR C 1 1 2 1547 1 1 43 THR CA C 0.963 11.937 3.476 1.00 . A A . 43 THR CA 1 1 2 1548 1 1 43 THR CB C 2.266 11.487 2.812 1.00 . A A . 43 THR CB 1 1 2 1549 1 1 43 THR CG2 C 3.504 12.010 3.509 1.00 . A A . 43 THR CG2 1 1 2 1550 1 1 43 THR H H 1.304 10.427 4.912 1.00 . A A . 43 THR H 1 1 2 1551 1 1 43 THR HA H 1.042 12.982 3.732 1.00 . A A . 43 THR HA 1 1 2 1552 1 1 43 THR HB H 2.281 11.851 1.795 1.00 . A A . 43 THR HB 1 1 2 1553 1 1 43 THR HG1 H 2.614 9.743 3.640 1.00 . A A . 43 THR HG1 1 1 2 1554 1 1 43 THR HG21 H 4.132 11.180 3.798 1.00 . A A . 43 THR HG21 1 1 2 1555 1 1 43 THR HG22 H 3.214 12.566 4.388 1.00 . A A . 43 THR HG22 1 1 2 1556 1 1 43 THR HG23 H 4.049 12.656 2.837 1.00 . A A . 43 THR HG23 1 1 2 1557 1 1 43 THR N N 0.736 11.194 4.709 1.00 . A A . 43 THR N 1 1 2 1558 1 1 43 THR O O -0.605 12.687 1.819 1.00 . A A . 43 THR O 1 1 2 1559 1 1 43 THR OG1 O 2.351 10.072 2.777 1.00 . A A . 43 THR OG1 1 1 2 1560 1 1 44 TYR C C -3.184 10.287 2.363 1.00 . A A . 44 TYR C 1 1 2 1561 1 1 44 TYR CA C -1.866 10.227 1.597 1.00 . A A . 44 TYR CA 1 1 2 1562 1 1 44 TYR CB C -1.687 8.841 0.975 1.00 . A A . 44 TYR CB 1 1 2 1563 1 1 44 TYR CD1 C 0.135 9.062 -0.761 1.00 . A A . 44 TYR CD1 1 1 2 1564 1 1 44 TYR CD2 C 0.619 7.843 1.230 1.00 . A A . 44 TYR CD2 1 1 2 1565 1 1 44 TYR CE1 C 1.415 8.822 -1.223 1.00 . A A . 44 TYR CE1 1 1 2 1566 1 1 44 TYR CE2 C 1.901 7.599 0.775 1.00 . A A . 44 TYR CE2 1 1 2 1567 1 1 44 TYR CG C -0.285 8.577 0.472 1.00 . A A . 44 TYR CG 1 1 2 1568 1 1 44 TYR CZ C 2.294 8.091 -0.452 1.00 . A A . 44 TYR CZ 1 1 2 1569 1 1 44 TYR H H -0.380 9.835 3.052 1.00 . A A . 44 TYR H 1 1 2 1570 1 1 44 TYR HA H -1.887 10.966 0.810 1.00 . A A . 44 TYR HA 1 1 2 1571 1 1 44 TYR HB2 H -1.920 8.089 1.714 1.00 . A A . 44 TYR HB2 1 1 2 1572 1 1 44 TYR HB3 H -2.364 8.739 0.140 1.00 . A A . 44 TYR HB3 1 1 2 1573 1 1 44 TYR HD1 H -0.556 9.634 -1.362 1.00 . A A . 44 TYR HD1 1 1 2 1574 1 1 44 TYR HD2 H 0.308 7.458 2.191 1.00 . A A . 44 TYR HD2 1 1 2 1575 1 1 44 TYR HE1 H 1.722 9.207 -2.184 1.00 . A A . 44 TYR HE1 1 1 2 1576 1 1 44 TYR HE2 H 2.589 7.027 1.379 1.00 . A A . 44 TYR HE2 1 1 2 1577 1 1 44 TYR HH H 3.906 8.636 -1.346 1.00 . A A . 44 TYR HH 1 1 2 1578 1 1 44 TYR N N -0.744 10.538 2.474 1.00 . A A . 44 TYR N 1 1 2 1579 1 1 44 TYR O O -4.106 11.006 1.977 1.00 . A A . 44 TYR O 1 1 2 1580 1 1 44 TYR OH O 3.569 7.850 -0.909 1.00 . A A . 44 TYR OH 1 1 2 1581 1 1 45 GLY C C -5.521 8.560 3.710 1.00 . A A . 45 GLY C 1 1 2 1582 1 1 45 GLY CA C -4.473 9.509 4.255 1.00 . A A . 45 GLY CA 1 1 2 1583 1 1 45 GLY H H -2.498 8.976 3.710 1.00 . A A . 45 GLY H 1 1 2 1584 1 1 45 GLY HA2 H -4.217 9.207 5.260 1.00 . A A . 45 GLY HA2 1 1 2 1585 1 1 45 GLY HA3 H -4.887 10.506 4.285 1.00 . A A . 45 GLY HA3 1 1 2 1586 1 1 45 GLY N N -3.265 9.528 3.451 1.00 . A A . 45 GLY N 1 1 2 1587 1 1 45 GLY O O -5.977 7.658 4.413 1.00 . A A . 45 GLY O 1 1 2 1588 1 1 46 GLN C C -6.322 6.568 1.426 1.00 . A A . 46 GLN C 1 1 2 1589 1 1 46 GLN CA C -6.907 7.923 1.816 1.00 . A A . 46 GLN CA 1 1 2 1590 1 1 46 GLN CB C -7.476 8.621 0.579 1.00 . A A . 46 GLN CB 1 1 2 1591 1 1 46 GLN CD C -8.331 10.801 -0.366 1.00 . A A . 46 GLN CD 1 1 2 1592 1 1 46 GLN CG C -8.115 9.966 0.881 1.00 . A A . 46 GLN CG 1 1 2 1593 1 1 46 GLN H H -5.510 9.497 1.946 1.00 . A A . 46 GLN H 1 1 2 1594 1 1 46 GLN HA H -7.702 7.767 2.525 1.00 . A A . 46 GLN HA 1 1 2 1595 1 1 46 GLN HB2 H -6.677 8.776 -0.131 1.00 . A A . 46 GLN HB2 1 1 2 1596 1 1 46 GLN HB3 H -8.224 7.983 0.132 1.00 . A A . 46 GLN HB3 1 1 2 1597 1 1 46 GLN HE21 H -6.368 11.079 -0.544 1.00 . A A . 46 GLN HE21 1 1 2 1598 1 1 46 GLN HE22 H -7.353 11.832 -1.760 1.00 . A A . 46 GLN HE22 1 1 2 1599 1 1 46 GLN HG2 H -9.071 9.799 1.353 1.00 . A A . 46 GLN HG2 1 1 2 1600 1 1 46 GLN HG3 H -7.472 10.513 1.555 1.00 . A A . 46 GLN HG3 1 1 2 1601 1 1 46 GLN N N -5.906 8.764 2.455 1.00 . A A . 46 GLN N 1 1 2 1602 1 1 46 GLN NE2 N -7.241 11.286 -0.949 1.00 . A A . 46 GLN NE2 1 1 2 1603 1 1 46 GLN O O -7.055 5.599 1.235 1.00 . A A . 46 GLN O 1 1 2 1604 1 1 46 GLN OE1 O -9.464 11.007 -0.801 1.00 . A A . 46 GLN OE1 1 1 2 1605 1 1 47 TYR C C -4.170 4.344 2.132 1.00 . A A . 47 TYR C 1 1 2 1606 1 1 47 TYR CA C -4.319 5.274 0.934 1.00 . A A . 47 TYR CA 1 1 2 1607 1 1 47 TYR CB C -2.950 5.584 0.348 1.00 . A A . 47 TYR CB 1 1 2 1608 1 1 47 TYR CD1 C -2.020 3.283 -0.110 1.00 . A A . 47 TYR CD1 1 1 2 1609 1 1 47 TYR CD2 C -2.348 4.753 -1.957 1.00 . A A . 47 TYR CD2 1 1 2 1610 1 1 47 TYR CE1 C -1.542 2.308 -0.964 1.00 . A A . 47 TYR CE1 1 1 2 1611 1 1 47 TYR CE2 C -1.871 3.784 -2.819 1.00 . A A . 47 TYR CE2 1 1 2 1612 1 1 47 TYR CG C -2.431 4.519 -0.591 1.00 . A A . 47 TYR CG 1 1 2 1613 1 1 47 TYR CZ C -1.469 2.564 -2.317 1.00 . A A . 47 TYR CZ 1 1 2 1614 1 1 47 TYR H H -4.466 7.315 1.466 1.00 . A A . 47 TYR H 1 1 2 1615 1 1 47 TYR HA H -4.906 4.783 0.188 1.00 . A A . 47 TYR HA 1 1 2 1616 1 1 47 TYR HB2 H -2.997 6.516 -0.198 1.00 . A A . 47 TYR HB2 1 1 2 1617 1 1 47 TYR HB3 H -2.253 5.675 1.156 1.00 . A A . 47 TYR HB3 1 1 2 1618 1 1 47 TYR HD1 H -2.079 3.086 0.951 1.00 . A A . 47 TYR HD1 1 1 2 1619 1 1 47 TYR HD2 H -2.664 5.711 -2.345 1.00 . A A . 47 TYR HD2 1 1 2 1620 1 1 47 TYR HE1 H -1.228 1.352 -0.571 1.00 . A A . 47 TYR HE1 1 1 2 1621 1 1 47 TYR HE2 H -1.813 3.985 -3.878 1.00 . A A . 47 TYR HE2 1 1 2 1622 1 1 47 TYR HH H -1.349 0.741 -2.918 1.00 . A A . 47 TYR HH 1 1 2 1623 1 1 47 TYR N N -4.999 6.509 1.305 1.00 . A A . 47 TYR N 1 1 2 1624 1 1 47 TYR O O -4.532 3.169 2.067 1.00 . A A . 47 TYR O 1 1 2 1625 1 1 47 TYR OH O -0.993 1.596 -3.172 1.00 . A A . 47 TYR OH 1 1 2 1626 1 1 48 ILE C C -4.760 3.650 5.034 1.00 . A A . 48 ILE C 1 1 2 1627 1 1 48 ILE CA C -3.429 4.086 4.433 1.00 . A A . 48 ILE CA 1 1 2 1628 1 1 48 ILE CB C -2.621 4.869 5.488 1.00 . A A . 48 ILE CB 1 1 2 1629 1 1 48 ILE CD1 C -0.360 4.170 4.550 1.00 . A A . 48 ILE CD1 1 1 2 1630 1 1 48 ILE CG1 C -1.282 5.318 4.900 1.00 . A A . 48 ILE CG1 1 1 2 1631 1 1 48 ILE CG2 C -2.399 4.022 6.736 1.00 . A A . 48 ILE CG2 1 1 2 1632 1 1 48 ILE H H -3.356 5.813 3.216 1.00 . A A . 48 ILE H 1 1 2 1633 1 1 48 ILE HA H -2.869 3.206 4.162 1.00 . A A . 48 ILE HA 1 1 2 1634 1 1 48 ILE HB H -3.191 5.740 5.772 1.00 . A A . 48 ILE HB 1 1 2 1635 1 1 48 ILE HD11 H -0.424 3.966 3.492 1.00 . A A . 48 ILE HD11 1 1 2 1636 1 1 48 ILE HD12 H -0.653 3.290 5.105 1.00 . A A . 48 ILE HD12 1 1 2 1637 1 1 48 ILE HD13 H 0.656 4.433 4.805 1.00 . A A . 48 ILE HD13 1 1 2 1638 1 1 48 ILE HG12 H -1.463 5.883 3.998 1.00 . A A . 48 ILE HG12 1 1 2 1639 1 1 48 ILE HG13 H -0.774 5.947 5.617 1.00 . A A . 48 ILE HG13 1 1 2 1640 1 1 48 ILE HG21 H -2.959 3.102 6.653 1.00 . A A . 48 ILE HG21 1 1 2 1641 1 1 48 ILE HG22 H -2.733 4.568 7.606 1.00 . A A . 48 ILE HG22 1 1 2 1642 1 1 48 ILE HG23 H -1.348 3.794 6.836 1.00 . A A . 48 ILE HG23 1 1 2 1643 1 1 48 ILE N N -3.630 4.873 3.224 1.00 . A A . 48 ILE N 1 1 2 1644 1 1 48 ILE O O -5.021 2.456 5.179 1.00 . A A . 48 ILE O 1 1 2 1645 1 1 49 ARG C C -7.922 3.937 4.893 1.00 . A A . 49 ARG C 1 1 2 1646 1 1 49 ARG CA C -6.904 4.316 5.963 1.00 . A A . 49 ARG CA 1 1 2 1647 1 1 49 ARG CB C -7.414 5.505 6.778 1.00 . A A . 49 ARG CB 1 1 2 1648 1 1 49 ARG CD C -7.026 7.108 8.674 1.00 . A A . 49 ARG CD 1 1 2 1649 1 1 49 ARG CG C -6.467 5.934 7.887 1.00 . A A . 49 ARG CG 1 1 2 1650 1 1 49 ARG CZ C -7.110 6.320 11.008 1.00 . A A . 49 ARG CZ 1 1 2 1651 1 1 49 ARG H H -5.343 5.552 5.240 1.00 . A A . 49 ARG H 1 1 2 1652 1 1 49 ARG HA H -6.775 3.471 6.618 1.00 . A A . 49 ARG HA 1 1 2 1653 1 1 49 ARG HB2 H -7.561 6.345 6.114 1.00 . A A . 49 ARG HB2 1 1 2 1654 1 1 49 ARG HB3 H -8.361 5.242 7.225 1.00 . A A . 49 ARG HB3 1 1 2 1655 1 1 49 ARG HD2 H -6.699 8.026 8.209 1.00 . A A . 49 ARG HD2 1 1 2 1656 1 1 49 ARG HD3 H -8.105 7.059 8.652 1.00 . A A . 49 ARG HD3 1 1 2 1657 1 1 49 ARG HE H -5.847 7.699 10.311 1.00 . A A . 49 ARG HE 1 1 2 1658 1 1 49 ARG HG2 H -6.315 5.103 8.559 1.00 . A A . 49 ARG HG2 1 1 2 1659 1 1 49 ARG HG3 H -5.523 6.223 7.449 1.00 . A A . 49 ARG HG3 1 1 2 1660 1 1 49 ARG HH11 H -8.459 5.447 9.779 1.00 . A A . 49 ARG HH11 1 1 2 1661 1 1 49 ARG HH12 H -8.498 4.911 11.425 1.00 . A A . 49 ARG HH12 1 1 2 1662 1 1 49 ARG HH21 H -5.896 6.994 12.476 1.00 . A A . 49 ARG HH21 1 1 2 1663 1 1 49 ARG HH22 H -7.043 5.789 12.957 1.00 . A A . 49 ARG HH22 1 1 2 1664 1 1 49 ARG N N -5.601 4.617 5.380 1.00 . A A . 49 ARG N 1 1 2 1665 1 1 49 ARG NE N -6.580 7.097 10.066 1.00 . A A . 49 ARG NE 1 1 2 1666 1 1 49 ARG NH1 N -8.104 5.491 10.713 1.00 . A A . 49 ARG NH1 1 1 2 1667 1 1 49 ARG NH2 N -6.645 6.372 12.249 1.00 . A A . 49 ARG NH2 1 1 2 1668 1 1 49 ARG O O -9.119 4.184 5.044 1.00 . A A . 49 ARG O 1 1 2 1669 1 1 50 SER C C -8.988 1.580 3.057 1.00 . A A . 50 SER C 1 1 2 1670 1 1 50 SER CA C -8.304 2.904 2.727 1.00 . A A . 50 SER CA 1 1 2 1671 1 1 50 SER CB C -7.500 2.768 1.446 1.00 . A A . 50 SER CB 1 1 2 1672 1 1 50 SER H H -6.483 3.150 3.761 1.00 . A A . 50 SER H 1 1 2 1673 1 1 50 SER HA H -9.054 3.655 2.582 1.00 . A A . 50 SER HA 1 1 2 1674 1 1 50 SER HB2 H -6.655 3.443 1.477 1.00 . A A . 50 SER HB2 1 1 2 1675 1 1 50 SER HB3 H -7.153 1.758 1.370 1.00 . A A . 50 SER HB3 1 1 2 1676 1 1 50 SER HG H -8.632 3.964 0.386 1.00 . A A . 50 SER HG 1 1 2 1677 1 1 50 SER N N -7.441 3.328 3.818 1.00 . A A . 50 SER N 1 1 2 1678 1 1 50 SER O O -8.420 0.736 3.750 1.00 . A A . 50 SER O 1 1 2 1679 1 1 50 SER OG O -8.289 3.071 0.309 1.00 . A A . 50 SER OG 1 1 2 1680 1 1 51 PRO C C -10.548 -0.998 1.901 1.00 . A A . 51 PRO C 1 1 2 1681 1 1 51 PRO CA C -10.976 0.149 2.812 1.00 . A A . 51 PRO CA 1 1 2 1682 1 1 51 PRO CB C -12.411 0.567 2.504 1.00 . A A . 51 PRO CB 1 1 2 1683 1 1 51 PRO CD C -10.978 2.331 1.729 1.00 . A A . 51 PRO CD 1 1 2 1684 1 1 51 PRO CG C -12.276 1.614 1.451 1.00 . A A . 51 PRO CG 1 1 2 1685 1 1 51 PRO HA H -10.902 -0.162 3.844 1.00 . A A . 51 PRO HA 1 1 2 1686 1 1 51 PRO HB2 H -12.969 -0.286 2.146 1.00 . A A . 51 PRO HB2 1 1 2 1687 1 1 51 PRO HB3 H -12.875 0.962 3.395 1.00 . A A . 51 PRO HB3 1 1 2 1688 1 1 51 PRO HD2 H -10.454 2.532 0.806 1.00 . A A . 51 PRO HD2 1 1 2 1689 1 1 51 PRO HD3 H -11.163 3.249 2.266 1.00 . A A . 51 PRO HD3 1 1 2 1690 1 1 51 PRO HG2 H -12.246 1.151 0.476 1.00 . A A . 51 PRO HG2 1 1 2 1691 1 1 51 PRO HG3 H -13.104 2.304 1.513 1.00 . A A . 51 PRO HG3 1 1 2 1692 1 1 51 PRO N N -10.221 1.378 2.565 1.00 . A A . 51 PRO N 1 1 2 1693 1 1 51 PRO O O -10.433 -2.143 2.340 1.00 . A A . 51 PRO O 1 1 2 1694 1 1 52 HIS C C -8.438 -2.006 -0.270 1.00 . A A . 52 HIS C 1 1 2 1695 1 1 52 HIS CA C -9.928 -1.693 -0.353 1.00 . A A . 52 HIS CA 1 1 2 1696 1 1 52 HIS CB C -10.282 -1.227 -1.767 1.00 . A A . 52 HIS CB 1 1 2 1697 1 1 52 HIS CD2 C -11.910 0.758 -2.147 1.00 . A A . 52 HIS CD2 1 1 2 1698 1 1 52 HIS CE1 C -13.796 -0.300 -1.785 1.00 . A A . 52 HIS CE1 1 1 2 1699 1 1 52 HIS CG C -11.605 -0.530 -1.858 1.00 . A A . 52 HIS CG 1 1 2 1700 1 1 52 HIS H H -10.446 0.243 0.336 1.00 . A A . 52 HIS H 1 1 2 1701 1 1 52 HIS HA H -10.477 -2.591 -0.136 1.00 . A A . 52 HIS HA 1 1 2 1702 1 1 52 HIS HB2 H -9.523 -0.542 -2.114 1.00 . A A . 52 HIS HB2 1 1 2 1703 1 1 52 HIS HB3 H -10.312 -2.085 -2.423 1.00 . A A . 52 HIS HB3 1 1 2 1704 1 1 52 HIS HD1 H -12.923 -2.112 -1.405 1.00 . A A . 52 HIS HD1 1 1 2 1705 1 1 52 HIS HD2 H -11.208 1.547 -2.376 1.00 . A A . 52 HIS HD2 1 1 2 1706 1 1 52 HIS HE1 H -14.848 -0.516 -1.671 1.00 . A A . 52 HIS HE1 1 1 2 1707 1 1 52 HIS HE2 H -13.781 1.711 -2.171 1.00 . A A . 52 HIS HE2 1 1 2 1708 1 1 52 HIS N N -10.327 -0.686 0.627 1.00 . A A . 52 HIS N 1 1 2 1709 1 1 52 HIS ND1 N -12.809 -1.166 -1.636 1.00 . A A . 52 HIS ND1 1 1 2 1710 1 1 52 HIS NE2 N -13.277 0.874 -2.094 1.00 . A A . 52 HIS NE2 1 1 2 1711 1 1 52 HIS O O -8.012 -3.120 -0.573 1.00 . A A . 52 HIS O 1 1 2 1712 1 1 53 ALA C C -5.852 -2.296 1.209 1.00 . A A . 53 ALA C 1 1 2 1713 1 1 53 ALA CA C -6.210 -1.186 0.237 1.00 . A A . 53 ALA CA 1 1 2 1714 1 1 53 ALA CB C -5.550 0.117 0.657 1.00 . A A . 53 ALA CB 1 1 2 1715 1 1 53 ALA H H -8.047 -0.157 0.347 1.00 . A A . 53 ALA H 1 1 2 1716 1 1 53 ALA HA H -5.843 -1.446 -0.732 1.00 . A A . 53 ALA HA 1 1 2 1717 1 1 53 ALA HB1 H -5.912 0.922 0.034 1.00 . A A . 53 ALA HB1 1 1 2 1718 1 1 53 ALA HB2 H -4.479 0.031 0.547 1.00 . A A . 53 ALA HB2 1 1 2 1719 1 1 53 ALA HB3 H -5.790 0.325 1.690 1.00 . A A . 53 ALA HB3 1 1 2 1720 1 1 53 ALA N N -7.651 -1.018 0.128 1.00 . A A . 53 ALA N 1 1 2 1721 1 1 53 ALA O O -5.128 -3.232 0.871 1.00 . A A . 53 ALA O 1 1 2 1722 1 1 54 ARG C C -6.479 -4.557 3.008 1.00 . A A . 54 ARG C 1 1 2 1723 1 1 54 ARG CA C -6.108 -3.155 3.467 1.00 . A A . 54 ARG CA 1 1 2 1724 1 1 54 ARG CB C -6.885 -2.796 4.735 1.00 . A A . 54 ARG CB 1 1 2 1725 1 1 54 ARG CD C -6.979 -0.849 6.322 1.00 . A A . 54 ARG CD 1 1 2 1726 1 1 54 ARG CG C -6.101 -1.924 5.702 1.00 . A A . 54 ARG CG 1 1 2 1727 1 1 54 ARG CZ C -8.980 -0.757 7.757 1.00 . A A . 54 ARG CZ 1 1 2 1728 1 1 54 ARG H H -6.925 -1.404 2.615 1.00 . A A . 54 ARG H 1 1 2 1729 1 1 54 ARG HA H -5.058 -3.132 3.680 1.00 . A A . 54 ARG HA 1 1 2 1730 1 1 54 ARG HB2 H -7.784 -2.267 4.454 1.00 . A A . 54 ARG HB2 1 1 2 1731 1 1 54 ARG HB3 H -7.159 -3.707 5.246 1.00 . A A . 54 ARG HB3 1 1 2 1732 1 1 54 ARG HD2 H -6.424 -0.358 7.108 1.00 . A A . 54 ARG HD2 1 1 2 1733 1 1 54 ARG HD3 H -7.235 -0.128 5.559 1.00 . A A . 54 ARG HD3 1 1 2 1734 1 1 54 ARG HE H -8.472 -2.301 6.599 1.00 . A A . 54 ARG HE 1 1 2 1735 1 1 54 ARG HG2 H -5.702 -2.547 6.489 1.00 . A A . 54 ARG HG2 1 1 2 1736 1 1 54 ARG HG3 H -5.290 -1.452 5.168 1.00 . A A . 54 ARG HG3 1 1 2 1737 1 1 54 ARG HH11 H -7.825 0.902 7.824 1.00 . A A . 54 ARG HH11 1 1 2 1738 1 1 54 ARG HH12 H -9.239 0.941 8.823 1.00 . A A . 54 ARG HH12 1 1 2 1739 1 1 54 ARG HH21 H -10.332 -2.251 7.913 1.00 . A A . 54 ARG HH21 1 1 2 1740 1 1 54 ARG HH22 H -10.662 -0.849 8.875 1.00 . A A . 54 ARG HH22 1 1 2 1741 1 1 54 ARG N N -6.364 -2.176 2.420 1.00 . A A . 54 ARG N 1 1 2 1742 1 1 54 ARG NE N -8.208 -1.402 6.885 1.00 . A A . 54 ARG NE 1 1 2 1743 1 1 54 ARG NH1 N -8.654 0.462 8.168 1.00 . A A . 54 ARG NH1 1 1 2 1744 1 1 54 ARG NH2 N -10.081 -1.333 8.220 1.00 . A A . 54 ARG NH2 1 1 2 1745 1 1 54 ARG O O -5.817 -5.535 3.357 1.00 . A A . 54 ARG O 1 1 2 1746 1 1 55 ASP C C -7.008 -6.481 0.700 1.00 . A A . 55 ASP C 1 1 2 1747 1 1 55 ASP CA C -8.000 -5.922 1.705 1.00 . A A . 55 ASP CA 1 1 2 1748 1 1 55 ASP CB C -9.371 -5.777 1.062 1.00 . A A . 55 ASP CB 1 1 2 1749 1 1 55 ASP CG C -10.152 -7.077 1.064 1.00 . A A . 55 ASP CG 1 1 2 1750 1 1 55 ASP H H -8.015 -3.827 1.979 1.00 . A A . 55 ASP H 1 1 2 1751 1 1 55 ASP HA H -8.072 -6.597 2.522 1.00 . A A . 55 ASP HA 1 1 2 1752 1 1 55 ASP HB2 H -9.942 -5.032 1.600 1.00 . A A . 55 ASP HB2 1 1 2 1753 1 1 55 ASP HB3 H -9.237 -5.463 0.046 1.00 . A A . 55 ASP HB3 1 1 2 1754 1 1 55 ASP N N -7.538 -4.643 2.221 1.00 . A A . 55 ASP N 1 1 2 1755 1 1 55 ASP O O -6.705 -7.673 0.702 1.00 . A A . 55 ASP O 1 1 2 1756 1 1 55 ASP OD1 O -10.884 -7.328 2.044 1.00 . A A . 55 ASP OD1 1 1 2 1757 1 1 55 ASP OD2 O -10.031 -7.843 0.085 1.00 . A A . 55 ASP OD2 1 1 2 1758 1 1 56 THR C C -4.276 -6.545 -0.522 1.00 . A A . 56 THR C 1 1 2 1759 1 1 56 THR CA C -5.539 -5.986 -1.162 1.00 . A A . 56 THR CA 1 1 2 1760 1 1 56 THR CB C -5.196 -4.794 -2.041 1.00 . A A . 56 THR CB 1 1 2 1761 1 1 56 THR CG2 C -4.722 -5.182 -3.425 1.00 . A A . 56 THR CG2 1 1 2 1762 1 1 56 THR H H -6.784 -4.675 -0.091 1.00 . A A . 56 THR H 1 1 2 1763 1 1 56 THR HA H -5.985 -6.741 -1.768 1.00 . A A . 56 THR HA 1 1 2 1764 1 1 56 THR HB H -4.412 -4.244 -1.566 1.00 . A A . 56 THR HB 1 1 2 1765 1 1 56 THR HG1 H -7.049 -4.434 -2.564 1.00 . A A . 56 THR HG1 1 1 2 1766 1 1 56 THR HG21 H -3.688 -4.897 -3.544 1.00 . A A . 56 THR HG21 1 1 2 1767 1 1 56 THR HG22 H -5.323 -4.676 -4.166 1.00 . A A . 56 THR HG22 1 1 2 1768 1 1 56 THR HG23 H -4.818 -6.250 -3.551 1.00 . A A . 56 THR HG23 1 1 2 1769 1 1 56 THR N N -6.503 -5.604 -0.150 1.00 . A A . 56 THR N 1 1 2 1770 1 1 56 THR O O -3.812 -7.628 -0.881 1.00 . A A . 56 THR O 1 1 2 1771 1 1 56 THR OG1 O -6.316 -3.939 -2.191 1.00 . A A . 56 THR OG1 1 1 2 1772 1 1 57 LEU C C -2.769 -7.513 1.891 1.00 . A A . 57 LEU C 1 1 2 1773 1 1 57 LEU CA C -2.521 -6.226 1.124 1.00 . A A . 57 LEU CA 1 1 2 1774 1 1 57 LEU CB C -2.040 -5.131 2.071 1.00 . A A . 57 LEU CB 1 1 2 1775 1 1 57 LEU CD1 C -1.239 -2.849 1.402 1.00 . A A . 57 LEU CD1 1 1 2 1776 1 1 57 LEU CD2 C 0.338 -4.452 2.497 1.00 . A A . 57 LEU CD2 1 1 2 1777 1 1 57 LEU CG C -0.854 -4.312 1.561 1.00 . A A . 57 LEU CG 1 1 2 1778 1 1 57 LEU H H -4.137 -4.952 0.678 1.00 . A A . 57 LEU H 1 1 2 1779 1 1 57 LEU HA H -1.774 -6.401 0.388 1.00 . A A . 57 LEU HA 1 1 2 1780 1 1 57 LEU HB2 H -2.864 -4.462 2.242 1.00 . A A . 57 LEU HB2 1 1 2 1781 1 1 57 LEU HB3 H -1.757 -5.588 3.008 1.00 . A A . 57 LEU HB3 1 1 2 1782 1 1 57 LEU HD11 H -1.676 -2.488 2.321 1.00 . A A . 57 LEU HD11 1 1 2 1783 1 1 57 LEU HD12 H -1.956 -2.750 0.600 1.00 . A A . 57 LEU HD12 1 1 2 1784 1 1 57 LEU HD13 H -0.358 -2.268 1.169 1.00 . A A . 57 LEU HD13 1 1 2 1785 1 1 57 LEU HD21 H 1.069 -3.693 2.264 1.00 . A A . 57 LEU HD21 1 1 2 1786 1 1 57 LEU HD22 H 0.781 -5.429 2.372 1.00 . A A . 57 LEU HD22 1 1 2 1787 1 1 57 LEU HD23 H 0.009 -4.334 3.519 1.00 . A A . 57 LEU HD23 1 1 2 1788 1 1 57 LEU HG H -0.566 -4.687 0.595 1.00 . A A . 57 LEU HG 1 1 2 1789 1 1 57 LEU N N -3.724 -5.803 0.433 1.00 . A A . 57 LEU N 1 1 2 1790 1 1 57 LEU O O -1.978 -8.454 1.830 1.00 . A A . 57 LEU O 1 1 2 1791 1 1 58 THR C C -4.466 -9.910 2.499 1.00 . A A . 58 THR C 1 1 2 1792 1 1 58 THR CA C -4.249 -8.702 3.396 1.00 . A A . 58 THR CA 1 1 2 1793 1 1 58 THR CB C -5.510 -8.417 4.214 1.00 . A A . 58 THR CB 1 1 2 1794 1 1 58 THR CG2 C -5.929 -9.576 5.092 1.00 . A A . 58 THR CG2 1 1 2 1795 1 1 58 THR H H -4.455 -6.758 2.612 1.00 . A A . 58 THR H 1 1 2 1796 1 1 58 THR HA H -3.434 -8.911 4.064 1.00 . A A . 58 THR HA 1 1 2 1797 1 1 58 THR HB H -6.325 -8.203 3.538 1.00 . A A . 58 THR HB 1 1 2 1798 1 1 58 THR HG1 H -5.841 -6.555 4.722 1.00 . A A . 58 THR HG1 1 1 2 1799 1 1 58 THR HG21 H -7.005 -9.591 5.180 1.00 . A A . 58 THR HG21 1 1 2 1800 1 1 58 THR HG22 H -5.489 -9.463 6.072 1.00 . A A . 58 THR HG22 1 1 2 1801 1 1 58 THR HG23 H -5.591 -10.502 4.651 1.00 . A A . 58 THR HG23 1 1 2 1802 1 1 58 THR N N -3.877 -7.540 2.611 1.00 . A A . 58 THR N 1 1 2 1803 1 1 58 THR O O -4.023 -11.014 2.815 1.00 . A A . 58 THR O 1 1 2 1804 1 1 58 THR OG1 O -5.320 -7.290 5.052 1.00 . A A . 58 THR OG1 1 1 2 1805 1 1 59 SER C C -4.080 -11.483 0.104 1.00 . A A . 59 SER C 1 1 2 1806 1 1 59 SER CA C -5.382 -10.775 0.428 1.00 . A A . 59 SER CA 1 1 2 1807 1 1 59 SER CB C -6.013 -10.235 -0.843 1.00 . A A . 59 SER CB 1 1 2 1808 1 1 59 SER H H -5.454 -8.799 1.155 1.00 . A A . 59 SER H 1 1 2 1809 1 1 59 SER HA H -6.050 -11.465 0.882 1.00 . A A . 59 SER HA 1 1 2 1810 1 1 59 SER HB2 H -6.701 -9.440 -0.593 1.00 . A A . 59 SER HB2 1 1 2 1811 1 1 59 SER HB3 H -5.236 -9.854 -1.473 1.00 . A A . 59 SER HB3 1 1 2 1812 1 1 59 SER HG H -6.104 -11.943 -1.798 1.00 . A A . 59 SER HG 1 1 2 1813 1 1 59 SER N N -5.134 -9.698 1.367 1.00 . A A . 59 SER N 1 1 2 1814 1 1 59 SER O O -4.025 -12.708 -0.004 1.00 . A A . 59 SER O 1 1 2 1815 1 1 59 SER OG O -6.716 -11.249 -1.540 1.00 . A A . 59 SER OG 1 1 2 1816 1 1 60 CYS C C -1.043 -11.714 0.949 1.00 . A A . 60 CYS C 1 1 2 1817 1 1 60 CYS CA C -1.710 -11.199 -0.322 1.00 . A A . 60 CYS CA 1 1 2 1818 1 1 60 CYS CB C -0.858 -10.101 -0.950 1.00 . A A . 60 CYS CB 1 1 2 1819 1 1 60 CYS H H -3.151 -9.724 0.083 1.00 . A A . 60 CYS H 1 1 2 1820 1 1 60 CYS HA H -1.812 -12.014 -1.023 1.00 . A A . 60 CYS HA 1 1 2 1821 1 1 60 CYS HB2 H -1.507 -9.355 -1.385 1.00 . A A . 60 CYS HB2 1 1 2 1822 1 1 60 CYS HB3 H -0.262 -9.640 -0.178 1.00 . A A . 60 CYS HB3 1 1 2 1823 1 1 60 CYS N N -3.032 -10.688 -0.031 1.00 . A A . 60 CYS N 1 1 2 1824 1 1 60 CYS O O -0.289 -12.687 0.914 1.00 . A A . 60 CYS O 1 1 2 1825 1 1 60 CYS SG S 0.263 -10.692 -2.258 1.00 . A A . 60 CYS SG 1 1 2 1826 1 1 61 GLY C C 0.793 -11.486 3.255 1.00 . A A . 61 GLY C 1 1 2 1827 1 1 61 GLY CA C -0.720 -11.453 3.331 1.00 . A A . 61 GLY CA 1 1 2 1828 1 1 61 GLY H H -1.919 -10.273 2.045 1.00 . A A . 61 GLY H 1 1 2 1829 1 1 61 GLY HA2 H -1.019 -10.757 4.101 1.00 . A A . 61 GLY HA2 1 1 2 1830 1 1 61 GLY HA3 H -1.079 -12.438 3.588 1.00 . A A . 61 GLY HA3 1 1 2 1831 1 1 61 GLY N N -1.316 -11.048 2.072 1.00 . A A . 61 GLY N 1 1 2 1832 1 1 61 GLY O O 1.423 -12.450 3.688 1.00 . A A . 61 GLY O 1 1 2 1833 1 1 62 LEU C C 3.418 -9.293 3.483 1.00 . A A . 62 LEU C 1 1 2 1834 1 1 62 LEU CA C 2.824 -10.347 2.552 1.00 . A A . 62 LEU CA 1 1 2 1835 1 1 62 LEU CB C 3.210 -10.041 1.101 1.00 . A A . 62 LEU CB 1 1 2 1836 1 1 62 LEU CD1 C 3.072 -7.539 0.937 1.00 . A A . 62 LEU CD1 1 1 2 1837 1 1 62 LEU CD2 C 2.556 -8.949 -1.056 1.00 . A A . 62 LEU CD2 1 1 2 1838 1 1 62 LEU CG C 2.483 -8.857 0.460 1.00 . A A . 62 LEU CG 1 1 2 1839 1 1 62 LEU H H 0.817 -9.696 2.363 1.00 . A A . 62 LEU H 1 1 2 1840 1 1 62 LEU HA H 3.230 -11.307 2.820 1.00 . A A . 62 LEU HA 1 1 2 1841 1 1 62 LEU HB2 H 4.271 -9.843 1.069 1.00 . A A . 62 LEU HB2 1 1 2 1842 1 1 62 LEU HB3 H 3.009 -10.920 0.507 1.00 . A A . 62 LEU HB3 1 1 2 1843 1 1 62 LEU HD11 H 3.909 -7.732 1.591 1.00 . A A . 62 LEU HD11 1 1 2 1844 1 1 62 LEU HD12 H 2.318 -6.981 1.473 1.00 . A A . 62 LEU HD12 1 1 2 1845 1 1 62 LEU HD13 H 3.405 -6.966 0.086 1.00 . A A . 62 LEU HD13 1 1 2 1846 1 1 62 LEU HD21 H 2.676 -9.982 -1.349 1.00 . A A . 62 LEU HD21 1 1 2 1847 1 1 62 LEU HD22 H 3.398 -8.374 -1.412 1.00 . A A . 62 LEU HD22 1 1 2 1848 1 1 62 LEU HD23 H 1.647 -8.556 -1.485 1.00 . A A . 62 LEU HD23 1 1 2 1849 1 1 62 LEU HG H 1.442 -8.882 0.746 1.00 . A A . 62 LEU HG 1 1 2 1850 1 1 62 LEU N N 1.375 -10.430 2.694 1.00 . A A . 62 LEU N 1 1 2 1851 1 1 62 LEU O O 4.472 -9.508 4.081 1.00 . A A . 62 LEU O 1 1 2 1852 1 1 63 ALA C C 2.064 -6.253 5.009 1.00 . A A . 63 ALA C 1 1 2 1853 1 1 63 ALA CA C 3.217 -7.081 4.455 1.00 . A A . 63 ALA CA 1 1 2 1854 1 1 63 ALA CB C 4.190 -6.192 3.696 1.00 . A A . 63 ALA CB 1 1 2 1855 1 1 63 ALA H H 1.914 -8.036 3.104 1.00 . A A . 63 ALA H 1 1 2 1856 1 1 63 ALA HA H 3.746 -7.530 5.276 1.00 . A A . 63 ALA HA 1 1 2 1857 1 1 63 ALA HB1 H 4.372 -5.291 4.262 1.00 . A A . 63 ALA HB1 1 1 2 1858 1 1 63 ALA HB2 H 3.768 -5.935 2.735 1.00 . A A . 63 ALA HB2 1 1 2 1859 1 1 63 ALA HB3 H 5.121 -6.720 3.550 1.00 . A A . 63 ALA HB3 1 1 2 1860 1 1 63 ALA N N 2.743 -8.155 3.601 1.00 . A A . 63 ALA N 1 1 2 1861 1 1 63 ALA O O 0.963 -6.250 4.458 1.00 . A A . 63 ALA O 1 1 2 1862 1 1 64 VAL C C 2.004 -3.523 7.441 1.00 . A A . 64 VAL C 1 1 2 1863 1 1 64 VAL CA C 1.334 -4.711 6.743 1.00 . A A . 64 VAL CA 1 1 2 1864 1 1 64 VAL CB C 0.487 -5.540 7.742 1.00 . A A . 64 VAL CB 1 1 2 1865 1 1 64 VAL CG1 C 0.648 -5.052 9.177 1.00 . A A . 64 VAL CG1 1 1 2 1866 1 1 64 VAL CG2 C -0.979 -5.537 7.330 1.00 . A A . 64 VAL CG2 1 1 2 1867 1 1 64 VAL H H 3.222 -5.595 6.491 1.00 . A A . 64 VAL H 1 1 2 1868 1 1 64 VAL HA H 0.683 -4.339 5.972 1.00 . A A . 64 VAL HA 1 1 2 1869 1 1 64 VAL HB H 0.840 -6.558 7.699 1.00 . A A . 64 VAL HB 1 1 2 1870 1 1 64 VAL HG11 H 1.679 -5.160 9.480 1.00 . A A . 64 VAL HG11 1 1 2 1871 1 1 64 VAL HG12 H 0.019 -5.641 9.829 1.00 . A A . 64 VAL HG12 1 1 2 1872 1 1 64 VAL HG13 H 0.360 -4.014 9.242 1.00 . A A . 64 VAL HG13 1 1 2 1873 1 1 64 VAL HG21 H -1.600 -5.438 8.207 1.00 . A A . 64 VAL HG21 1 1 2 1874 1 1 64 VAL HG22 H -1.213 -6.463 6.826 1.00 . A A . 64 VAL HG22 1 1 2 1875 1 1 64 VAL HG23 H -1.164 -4.708 6.662 1.00 . A A . 64 VAL HG23 1 1 2 1876 1 1 64 VAL N N 2.330 -5.549 6.104 1.00 . A A . 64 VAL N 1 1 2 1877 1 1 64 VAL O O 3.208 -3.545 7.693 1.00 . A A . 64 VAL O 1 1 2 1878 1 1 65 PRO C C 1.985 -1.436 9.911 1.00 . A A . 65 PRO C 1 1 2 1879 1 1 65 PRO CA C 1.764 -1.256 8.416 1.00 . A A . 65 PRO CA 1 1 2 1880 1 1 65 PRO CB C 0.655 -0.242 8.174 1.00 . A A . 65 PRO CB 1 1 2 1881 1 1 65 PRO CD C -0.208 -2.336 7.480 1.00 . A A . 65 PRO CD 1 1 2 1882 1 1 65 PRO CG C -0.568 -1.080 8.219 1.00 . A A . 65 PRO CG 1 1 2 1883 1 1 65 PRO HA H 2.677 -0.925 7.959 1.00 . A A . 65 PRO HA 1 1 2 1884 1 1 65 PRO HB2 H 0.661 0.504 8.955 1.00 . A A . 65 PRO HB2 1 1 2 1885 1 1 65 PRO HB3 H 0.783 0.224 7.210 1.00 . A A . 65 PRO HB3 1 1 2 1886 1 1 65 PRO HD2 H -0.756 -3.177 7.875 1.00 . A A . 65 PRO HD2 1 1 2 1887 1 1 65 PRO HD3 H -0.392 -2.220 6.422 1.00 . A A . 65 PRO HD3 1 1 2 1888 1 1 65 PRO HG2 H -0.812 -1.312 9.246 1.00 . A A . 65 PRO HG2 1 1 2 1889 1 1 65 PRO HG3 H -1.386 -0.575 7.733 1.00 . A A . 65 PRO HG3 1 1 2 1890 1 1 65 PRO N N 1.236 -2.463 7.754 1.00 . A A . 65 PRO N 1 1 2 1891 1 1 65 PRO O O 1.859 -0.491 10.691 1.00 . A A . 65 PRO O 1 1 2 1892 1 1 66 HIS C C 3.862 -3.778 11.834 1.00 . A A . 66 HIS C 1 1 2 1893 1 1 66 HIS CA C 2.571 -2.977 11.692 1.00 . A A . 66 HIS CA 1 1 2 1894 1 1 66 HIS CB C 1.396 -3.767 12.273 1.00 . A A . 66 HIS CB 1 1 2 1895 1 1 66 HIS CD2 C -0.016 -2.114 13.687 1.00 . A A . 66 HIS CD2 1 1 2 1896 1 1 66 HIS CE1 C -1.774 -2.002 12.388 1.00 . A A . 66 HIS CE1 1 1 2 1897 1 1 66 HIS CG C 0.216 -2.916 12.621 1.00 . A A . 66 HIS CG 1 1 2 1898 1 1 66 HIS H H 2.402 -3.339 9.618 1.00 . A A . 66 HIS H 1 1 2 1899 1 1 66 HIS HA H 2.675 -2.050 12.237 1.00 . A A . 66 HIS HA 1 1 2 1900 1 1 66 HIS HB2 H 1.073 -4.502 11.551 1.00 . A A . 66 HIS HB2 1 1 2 1901 1 1 66 HIS HB3 H 1.720 -4.271 13.172 1.00 . A A . 66 HIS HB3 1 1 2 1902 1 1 66 HIS HD1 H -1.045 -3.290 10.975 1.00 . A A . 66 HIS HD1 1 1 2 1903 1 1 66 HIS HD2 H 0.652 -1.943 14.516 1.00 . A A . 66 HIS HD2 1 1 2 1904 1 1 66 HIS HE1 H -2.741 -1.740 11.992 1.00 . A A . 66 HIS HE1 1 1 2 1905 1 1 66 HIS HE2 H -1.660 -0.875 14.092 1.00 . A A . 66 HIS HE2 1 1 2 1906 1 1 66 HIS N N 2.319 -2.648 10.294 1.00 . A A . 66 HIS N 1 1 2 1907 1 1 66 HIS ND1 N -0.906 -2.824 11.825 1.00 . A A . 66 HIS ND1 1 1 2 1908 1 1 66 HIS NE2 N -1.259 -1.559 13.517 1.00 . A A . 66 HIS NE2 1 1 2 1909 1 1 66 HIS O O 3.919 -4.759 12.576 1.00 . A A . 66 HIS O 1 1 2 1910 1 1 67 CYS C C 6.719 -4.111 12.584 1.00 . A A . 67 CYS C 1 1 2 1911 1 1 67 CYS CA C 6.190 -4.030 11.155 1.00 . A A . 67 CYS CA 1 1 2 1912 1 1 67 CYS CB C 7.201 -3.302 10.267 1.00 . A A . 67 CYS CB 1 1 2 1913 1 1 67 CYS H H 4.788 -2.567 10.541 1.00 . A A . 67 CYS H 1 1 2 1914 1 1 67 CYS HA H 6.050 -5.033 10.779 1.00 . A A . 67 CYS HA 1 1 2 1915 1 1 67 CYS HB2 H 7.475 -2.370 10.737 1.00 . A A . 67 CYS HB2 1 1 2 1916 1 1 67 CYS HB3 H 8.083 -3.917 10.160 1.00 . A A . 67 CYS HB3 1 1 2 1917 1 1 67 CYS N N 4.897 -3.354 11.114 1.00 . A A . 67 CYS N 1 1 2 1918 1 1 67 CYS O O 6.156 -3.426 13.463 1.00 . A A . 67 CYS O 1 1 2 1919 1 1 67 CYS OXT O 7.693 -4.860 12.812 1.00 . A A . 67 CYS OXT 1 1 2 1920 1 1 67 CYS SG S 6.587 -2.917 8.595 1.00 . A A . 67 CYS SG 1 1 2 1921 2 2 1 PGM C1 C 0.155 2.392 15.404 1.00 . B A . 68 PGM C1 1 1 2 1922 2 2 1 PGM C2 C -1.019 3.194 15.051 1.00 . B A . 68 PGM C2 1 1 2 1923 2 2 1 PGM C3 C -2.271 2.479 15.314 1.00 . B A . 68 PGM C3 1 1 2 1924 2 2 1 PGM C7 C -4.245 2.350 12.006 1.00 . B A . 68 PGM C7 1 1 2 1925 2 2 1 PGM C8 C -3.418 1.556 11.095 1.00 . B A . 68 PGM C8 1 1 2 1926 2 2 1 PGM C9 C -4.185 0.546 10.411 1.00 . B A . 68 PGM C9 1 1 2 1927 2 2 1 PGM CA C -3.960 -0.261 8.245 1.00 . B A . 68 PGM CA 1 1 2 1928 2 2 1 PGM CB C -3.836 0.617 7.074 1.00 . B A . 68 PGM CB 1 1 2 1929 2 2 1 PGM CC C -3.168 0.020 5.862 1.00 . B A . 68 PGM CC 1 1 2 1930 2 2 1 PGM CD C -1.899 0.708 5.438 1.00 . B A . 68 PGM CD 1 1 2 1931 2 2 1 PGM CE C -1.643 0.668 3.961 1.00 . B A . 68 PGM CE 1 1 2 1932 2 2 1 PGM CF C -0.195 0.563 3.587 1.00 . B A . 68 PGM CF 1 1 2 1933 2 2 1 PGM CG C 0.205 1.381 2.392 1.00 . B A . 68 PGM CG 1 1 2 1934 2 2 1 PGM CH C 1.109 0.693 1.423 1.00 . B A . 68 PGM CH 1 1 2 1935 2 2 1 PGM CI C 2.092 1.578 0.731 1.00 . B A . 68 PGM CI 1 1 2 1936 2 2 1 PGM CJ C 1.610 2.163 -0.555 1.00 . B A . 68 PGM CJ 1 1 2 1937 2 2 1 PGM CK C 1.568 3.656 -0.605 1.00 . B A . 68 PGM CK 1 1 2 1938 2 2 1 PGM CL C 1.271 4.240 -1.953 1.00 . B A . 68 PGM CL 1 1 2 1939 2 2 1 PGM CM C 0.803 5.660 -1.942 1.00 . B A . 68 PGM CM 1 1 2 1940 2 2 1 PGM CN C 0.221 6.148 -3.230 1.00 . B A . 68 PGM CN 1 1 2 1941 2 2 1 PGM CO C 1.021 7.199 -3.931 1.00 . B A . 68 PGM CO 1 1 2 1942 2 2 1 PGM CP C 0.208 8.339 -4.470 1.00 . B A . 68 PGM CP 1 1 2 1943 2 2 1 PGM O1 O 1.022 2.337 14.299 1.00 . B A . 68 PGM O1 1 1 2 1944 2 2 1 PGM O2 O -1.005 4.385 15.799 1.00 . B A . 68 PGM O2 1 1 2 1945 2 2 1 PGM O4 O -3.364 3.320 14.921 1.00 . B A . 68 PGM O4 1 1 2 1946 2 2 1 PGM O5A O -5.162 1.755 15.727 1.00 . B A . 68 PGM O5A 1 1 2 1947 2 2 1 PGM O5B O -5.729 3.692 14.193 1.00 . B A . 68 PGM O5B 1 1 2 1948 2 2 1 PGM O6 O -4.502 1.708 13.324 1.00 . B A . 68 PGM O6 1 1 2 1949 2 2 1 PGM O8 O -2.258 0.968 11.631 1.00 . B A . 68 PGM O8 1 1 2 1950 2 2 1 PGM OQ1 O -4.607 -1.347 8.055 1.00 . B A . 68 PGM OQ1 1 1 2 1951 2 2 1 PGM OQ2 O -3.405 -0.040 9.278 1.00 . B A . 68 PGM OQ2 1 1 2 1952 2 2 1 PGM P5 P -4.778 2.634 14.599 1.00 . B A . 68 PGM P5 1 1 3 1953 1 1 1 ALA C C 10.568 9.683 -0.727 1.00 . A A . 1 ALA C 1 1 3 1954 1 1 1 ALA CA C 9.557 10.810 -0.549 1.00 . A A . 1 ALA CA 1 1 3 1955 1 1 1 ALA CB C 10.214 12.155 -0.820 1.00 . A A . 1 ALA CB 1 1 3 1956 1 1 1 ALA H1 H 8.248 10.041 0.838 1.00 . A A . 1 ALA H1 1 1 3 1957 1 1 1 ALA H2 H 8.547 11.724 0.992 1.00 . A A . 1 ALA H2 1 1 3 1958 1 1 1 ALA H3 H 9.736 10.590 1.488 1.00 . A A . 1 ALA H3 1 1 3 1959 1 1 1 ALA HA H 8.759 10.677 -1.265 1.00 . A A . 1 ALA HA 1 1 3 1960 1 1 1 ALA HB1 H 11.208 12.162 -0.398 1.00 . A A . 1 ALA HB1 1 1 3 1961 1 1 1 ALA HB2 H 9.626 12.940 -0.367 1.00 . A A . 1 ALA HB2 1 1 3 1962 1 1 1 ALA HB3 H 10.274 12.319 -1.885 1.00 . A A . 1 ALA HB3 1 1 3 1963 1 1 1 ALA N N 8.969 10.789 0.815 1.00 . A A . 1 ALA N 1 1 3 1964 1 1 1 ALA O O 11.764 9.866 -0.497 1.00 . A A . 1 ALA O 1 1 3 1965 1 1 2 CYS C C 11.049 7.019 -2.828 1.00 . A A . 2 CYS C 1 1 3 1966 1 1 2 CYS CA C 10.942 7.358 -1.345 1.00 . A A . 2 CYS CA 1 1 3 1967 1 1 2 CYS CB C 10.407 6.152 -0.569 1.00 . A A . 2 CYS CB 1 1 3 1968 1 1 2 CYS H H 9.118 8.432 -1.303 1.00 . A A . 2 CYS H 1 1 3 1969 1 1 2 CYS HA H 11.925 7.605 -0.973 1.00 . A A . 2 CYS HA 1 1 3 1970 1 1 2 CYS HB2 H 9.358 6.305 -0.360 1.00 . A A . 2 CYS HB2 1 1 3 1971 1 1 2 CYS HB3 H 10.522 5.264 -1.172 1.00 . A A . 2 CYS HB3 1 1 3 1972 1 1 2 CYS N N 10.081 8.516 -1.137 1.00 . A A . 2 CYS N 1 1 3 1973 1 1 2 CYS O O 12.145 6.973 -3.387 1.00 . A A . 2 CYS O 1 1 3 1974 1 1 2 CYS SG S 11.250 5.858 1.020 1.00 . A A . 2 CYS SG 1 1 3 1975 1 1 3 GLN C C 8.512 6.778 -5.487 1.00 . A A . 3 GLN C 1 1 3 1976 1 1 3 GLN CA C 9.871 6.445 -4.879 1.00 . A A . 3 GLN CA 1 1 3 1977 1 1 3 GLN CB C 10.183 4.961 -5.079 1.00 . A A . 3 GLN CB 1 1 3 1978 1 1 3 GLN CD C 12.111 3.628 -6.019 1.00 . A A . 3 GLN CD 1 1 3 1979 1 1 3 GLN CG C 11.057 4.682 -6.291 1.00 . A A . 3 GLN CG 1 1 3 1980 1 1 3 GLN H H 9.062 6.831 -2.961 1.00 . A A . 3 GLN H 1 1 3 1981 1 1 3 GLN HA H 10.628 7.033 -5.376 1.00 . A A . 3 GLN HA 1 1 3 1982 1 1 3 GLN HB2 H 10.692 4.591 -4.202 1.00 . A A . 3 GLN HB2 1 1 3 1983 1 1 3 GLN HB3 H 9.255 4.423 -5.200 1.00 . A A . 3 GLN HB3 1 1 3 1984 1 1 3 GLN HE21 H 11.365 2.475 -7.456 1.00 . A A . 3 GLN HE21 1 1 3 1985 1 1 3 GLN HE22 H 12.737 1.839 -6.620 1.00 . A A . 3 GLN HE22 1 1 3 1986 1 1 3 GLN HG2 H 10.429 4.341 -7.101 1.00 . A A . 3 GLN HG2 1 1 3 1987 1 1 3 GLN HG3 H 11.550 5.598 -6.581 1.00 . A A . 3 GLN HG3 1 1 3 1988 1 1 3 GLN N N 9.904 6.781 -3.460 1.00 . A A . 3 GLN N 1 1 3 1989 1 1 3 GLN NE2 N 12.067 2.537 -6.774 1.00 . A A . 3 GLN NE2 1 1 3 1990 1 1 3 GLN O O 8.422 7.531 -6.456 1.00 . A A . 3 GLN O 1 1 3 1991 1 1 3 GLN OE1 O 12.957 3.792 -5.139 1.00 . A A . 3 GLN OE1 1 1 3 1992 1 1 4 ALA C C 5.940 5.953 -6.829 1.00 . A A . 4 ALA C 1 1 3 1993 1 1 4 ALA CA C 6.102 6.446 -5.396 1.00 . A A . 4 ALA CA 1 1 3 1994 1 1 4 ALA CB C 5.756 7.924 -5.301 1.00 . A A . 4 ALA CB 1 1 3 1995 1 1 4 ALA H H 7.593 5.619 -4.141 1.00 . A A . 4 ALA H 1 1 3 1996 1 1 4 ALA HA H 5.421 5.900 -4.759 1.00 . A A . 4 ALA HA 1 1 3 1997 1 1 4 ALA HB1 H 6.081 8.428 -6.199 1.00 . A A . 4 ALA HB1 1 1 3 1998 1 1 4 ALA HB2 H 6.254 8.357 -4.445 1.00 . A A . 4 ALA HB2 1 1 3 1999 1 1 4 ALA HB3 H 4.688 8.038 -5.192 1.00 . A A . 4 ALA HB3 1 1 3 2000 1 1 4 ALA N N 7.457 6.211 -4.911 1.00 . A A . 4 ALA N 1 1 3 2001 1 1 4 ALA O O 5.173 6.520 -7.608 1.00 . A A . 4 ALA O 1 1 3 2002 1 1 5 SER C C 6.196 2.856 -8.466 1.00 . A A . 5 SER C 1 1 3 2003 1 1 5 SER CA C 6.605 4.326 -8.513 1.00 . A A . 5 SER CA 1 1 3 2004 1 1 5 SER CB C 7.959 4.467 -9.212 1.00 . A A . 5 SER CB 1 1 3 2005 1 1 5 SER H H 7.261 4.488 -6.507 1.00 . A A . 5 SER H 1 1 3 2006 1 1 5 SER HA H 5.863 4.875 -9.072 1.00 . A A . 5 SER HA 1 1 3 2007 1 1 5 SER HB2 H 8.750 4.345 -8.487 1.00 . A A . 5 SER HB2 1 1 3 2008 1 1 5 SER HB3 H 8.049 3.708 -9.975 1.00 . A A . 5 SER HB3 1 1 3 2009 1 1 5 SER HG H 8.553 5.652 -10.654 1.00 . A A . 5 SER HG 1 1 3 2010 1 1 5 SER N N 6.668 4.895 -7.172 1.00 . A A . 5 SER N 1 1 3 2011 1 1 5 SER O O 5.425 2.390 -9.305 1.00 . A A . 5 SER O 1 1 3 2012 1 1 5 SER OG O 8.089 5.741 -9.818 1.00 . A A . 5 SER OG 1 1 3 2013 1 1 6 GLN C C 5.028 0.513 -6.721 1.00 . A A . 6 GLN C 1 1 3 2014 1 1 6 GLN CA C 6.416 0.722 -7.326 1.00 . A A . 6 GLN CA 1 1 3 2015 1 1 6 GLN CB C 7.473 0.048 -6.449 1.00 . A A . 6 GLN CB 1 1 3 2016 1 1 6 GLN CD C 9.377 -1.482 -7.100 1.00 . A A . 6 GLN CD 1 1 3 2017 1 1 6 GLN CG C 8.834 -0.066 -7.117 1.00 . A A . 6 GLN CG 1 1 3 2018 1 1 6 GLN H H 7.325 2.551 -6.851 1.00 . A A . 6 GLN H 1 1 3 2019 1 1 6 GLN HA H 6.442 0.280 -8.302 1.00 . A A . 6 GLN HA 1 1 3 2020 1 1 6 GLN HB2 H 7.589 0.620 -5.540 1.00 . A A . 6 GLN HB2 1 1 3 2021 1 1 6 GLN HB3 H 7.135 -0.946 -6.197 1.00 . A A . 6 GLN HB3 1 1 3 2022 1 1 6 GLN HE21 H 11.141 -0.825 -6.461 1.00 . A A . 6 GLN HE21 1 1 3 2023 1 1 6 GLN HE22 H 11.015 -2.532 -6.692 1.00 . A A . 6 GLN HE22 1 1 3 2024 1 1 6 GLN HG2 H 8.745 0.256 -8.144 1.00 . A A . 6 GLN HG2 1 1 3 2025 1 1 6 GLN HG3 H 9.530 0.577 -6.598 1.00 . A A . 6 GLN HG3 1 1 3 2026 1 1 6 GLN N N 6.720 2.131 -7.483 1.00 . A A . 6 GLN N 1 1 3 2027 1 1 6 GLN NE2 N 10.638 -1.628 -6.712 1.00 . A A . 6 GLN NE2 1 1 3 2028 1 1 6 GLN O O 4.564 -0.620 -6.593 1.00 . A A . 6 GLN O 1 1 3 2029 1 1 6 GLN OE1 O 8.671 -2.434 -7.432 1.00 . A A . 6 GLN OE1 1 1 3 2030 1 1 7 LEU C C 1.989 2.175 -6.640 1.00 . A A . 7 LEU C 1 1 3 2031 1 1 7 LEU CA C 3.045 1.533 -5.742 1.00 . A A . 7 LEU CA 1 1 3 2032 1 1 7 LEU CB C 3.051 2.215 -4.373 1.00 . A A . 7 LEU CB 1 1 3 2033 1 1 7 LEU CD1 C 4.486 3.118 -2.522 1.00 . A A . 7 LEU CD1 1 1 3 2034 1 1 7 LEU CD2 C 4.319 0.644 -2.884 1.00 . A A . 7 LEU CD2 1 1 3 2035 1 1 7 LEU CG C 4.330 2.012 -3.555 1.00 . A A . 7 LEU CG 1 1 3 2036 1 1 7 LEU H H 4.792 2.484 -6.460 1.00 . A A . 7 LEU H 1 1 3 2037 1 1 7 LEU HA H 2.800 0.490 -5.611 1.00 . A A . 7 LEU HA 1 1 3 2038 1 1 7 LEU HB2 H 2.907 3.276 -4.522 1.00 . A A . 7 LEU HB2 1 1 3 2039 1 1 7 LEU HB3 H 2.220 1.833 -3.800 1.00 . A A . 7 LEU HB3 1 1 3 2040 1 1 7 LEU HD11 H 3.830 3.939 -2.770 1.00 . A A . 7 LEU HD11 1 1 3 2041 1 1 7 LEU HD12 H 5.509 3.464 -2.518 1.00 . A A . 7 LEU HD12 1 1 3 2042 1 1 7 LEU HD13 H 4.231 2.737 -1.544 1.00 . A A . 7 LEU HD13 1 1 3 2043 1 1 7 LEU HD21 H 3.340 0.199 -2.987 1.00 . A A . 7 LEU HD21 1 1 3 2044 1 1 7 LEU HD22 H 4.554 0.755 -1.836 1.00 . A A . 7 LEU HD22 1 1 3 2045 1 1 7 LEU HD23 H 5.055 0.008 -3.353 1.00 . A A . 7 LEU HD23 1 1 3 2046 1 1 7 LEU HG H 5.184 2.053 -4.219 1.00 . A A . 7 LEU HG 1 1 3 2047 1 1 7 LEU N N 4.372 1.607 -6.342 1.00 . A A . 7 LEU N 1 1 3 2048 1 1 7 LEU O O 0.796 1.911 -6.491 1.00 . A A . 7 LEU O 1 1 3 2049 1 1 8 ALA C C 0.516 2.724 -9.093 1.00 . A A . 8 ALA C 1 1 3 2050 1 1 8 ALA CA C 1.517 3.697 -8.485 1.00 . A A . 8 ALA CA 1 1 3 2051 1 1 8 ALA CB C 2.297 4.408 -9.580 1.00 . A A . 8 ALA CB 1 1 3 2052 1 1 8 ALA H H 3.389 3.196 -7.642 1.00 . A A . 8 ALA H 1 1 3 2053 1 1 8 ALA HA H 0.980 4.435 -7.925 1.00 . A A . 8 ALA HA 1 1 3 2054 1 1 8 ALA HB1 H 1.824 5.353 -9.805 1.00 . A A . 8 ALA HB1 1 1 3 2055 1 1 8 ALA HB2 H 2.313 3.793 -10.468 1.00 . A A . 8 ALA HB2 1 1 3 2056 1 1 8 ALA HB3 H 3.309 4.582 -9.246 1.00 . A A . 8 ALA HB3 1 1 3 2057 1 1 8 ALA N N 2.430 3.020 -7.570 1.00 . A A . 8 ALA N 1 1 3 2058 1 1 8 ALA O O -0.695 2.940 -9.041 1.00 . A A . 8 ALA O 1 1 3 2059 1 1 9 VAL C C -0.791 0.048 -9.304 1.00 . A A . 9 VAL C 1 1 3 2060 1 1 9 VAL CA C 0.216 0.633 -10.292 1.00 . A A . 9 VAL CA 1 1 3 2061 1 1 9 VAL CB C 1.080 -0.505 -10.870 1.00 . A A . 9 VAL CB 1 1 3 2062 1 1 9 VAL CG1 C 1.879 -1.186 -9.768 1.00 . A A . 9 VAL CG1 1 1 3 2063 1 1 9 VAL CG2 C 0.215 -1.513 -11.613 1.00 . A A . 9 VAL CG2 1 1 3 2064 1 1 9 VAL H H 2.007 1.555 -9.669 1.00 . A A . 9 VAL H 1 1 3 2065 1 1 9 VAL HA H -0.317 1.096 -11.101 1.00 . A A . 9 VAL HA 1 1 3 2066 1 1 9 VAL HB H 1.778 -0.076 -11.574 1.00 . A A . 9 VAL HB 1 1 3 2067 1 1 9 VAL HG11 H 2.685 -0.539 -9.456 1.00 . A A . 9 VAL HG11 1 1 3 2068 1 1 9 VAL HG12 H 2.286 -2.114 -10.140 1.00 . A A . 9 VAL HG12 1 1 3 2069 1 1 9 VAL HG13 H 1.233 -1.387 -8.927 1.00 . A A . 9 VAL HG13 1 1 3 2070 1 1 9 VAL HG21 H 0.828 -2.076 -12.301 1.00 . A A . 9 VAL HG21 1 1 3 2071 1 1 9 VAL HG22 H -0.555 -0.991 -12.162 1.00 . A A . 9 VAL HG22 1 1 3 2072 1 1 9 VAL HG23 H -0.243 -2.186 -10.904 1.00 . A A . 9 VAL HG23 1 1 3 2073 1 1 9 VAL N N 1.040 1.656 -9.666 1.00 . A A . 9 VAL N 1 1 3 2074 1 1 9 VAL O O -1.818 -0.503 -9.701 1.00 . A A . 9 VAL O 1 1 3 2075 1 1 10 CYS C C -2.390 0.705 -6.570 1.00 . A A . 10 CYS C 1 1 3 2076 1 1 10 CYS CA C -1.362 -0.343 -6.969 1.00 . A A . 10 CYS CA 1 1 3 2077 1 1 10 CYS CB C -0.538 -0.735 -5.746 1.00 . A A . 10 CYS CB 1 1 3 2078 1 1 10 CYS H H 0.345 0.620 -7.766 1.00 . A A . 10 CYS H 1 1 3 2079 1 1 10 CYS HA H -1.872 -1.215 -7.350 1.00 . A A . 10 CYS HA 1 1 3 2080 1 1 10 CYS HB2 H 0.421 -1.100 -6.073 1.00 . A A . 10 CYS HB2 1 1 3 2081 1 1 10 CYS HB3 H -0.393 0.142 -5.127 1.00 . A A . 10 CYS HB3 1 1 3 2082 1 1 10 CYS N N -0.488 0.172 -8.017 1.00 . A A . 10 CYS N 1 1 3 2083 1 1 10 CYS O O -3.518 0.380 -6.198 1.00 . A A . 10 CYS O 1 1 3 2084 1 1 10 CYS SG S -1.308 -2.020 -4.709 1.00 . A A . 10 CYS SG 1 1 3 2085 1 1 11 ALA C C -4.245 2.911 -6.870 1.00 . A A . 11 ALA C 1 1 3 2086 1 1 11 ALA CA C -2.846 3.089 -6.298 1.00 . A A . 11 ALA CA 1 1 3 2087 1 1 11 ALA CB C -2.237 4.395 -6.785 1.00 . A A . 11 ALA CB 1 1 3 2088 1 1 11 ALA H H -1.067 2.145 -6.950 1.00 . A A . 11 ALA H 1 1 3 2089 1 1 11 ALA HA H -2.913 3.130 -5.225 1.00 . A A . 11 ALA HA 1 1 3 2090 1 1 11 ALA HB1 H -1.165 4.363 -6.657 1.00 . A A . 11 ALA HB1 1 1 3 2091 1 1 11 ALA HB2 H -2.643 5.217 -6.215 1.00 . A A . 11 ALA HB2 1 1 3 2092 1 1 11 ALA HB3 H -2.471 4.533 -7.831 1.00 . A A . 11 ALA HB3 1 1 3 2093 1 1 11 ALA N N -1.980 1.966 -6.649 1.00 . A A . 11 ALA N 1 1 3 2094 1 1 11 ALA O O -5.230 3.376 -6.296 1.00 . A A . 11 ALA O 1 1 3 2095 1 1 12 SER C C -6.583 1.330 -7.697 1.00 . A A . 12 SER C 1 1 3 2096 1 1 12 SER CA C -5.591 1.973 -8.662 1.00 . A A . 12 SER CA 1 1 3 2097 1 1 12 SER CB C -5.387 1.070 -9.881 1.00 . A A . 12 SER CB 1 1 3 2098 1 1 12 SER H H -3.498 1.886 -8.402 1.00 . A A . 12 SER H 1 1 3 2099 1 1 12 SER HA H -5.985 2.920 -8.989 1.00 . A A . 12 SER HA 1 1 3 2100 1 1 12 SER HB2 H -4.494 1.374 -10.405 1.00 . A A . 12 SER HB2 1 1 3 2101 1 1 12 SER HB3 H -5.283 0.046 -9.554 1.00 . A A . 12 SER HB3 1 1 3 2102 1 1 12 SER HG H -6.743 2.075 -10.877 1.00 . A A . 12 SER HG 1 1 3 2103 1 1 12 SER N N -4.320 2.228 -8.002 1.00 . A A . 12 SER N 1 1 3 2104 1 1 12 SER O O -7.755 1.704 -7.652 1.00 . A A . 12 SER O 1 1 3 2105 1 1 12 SER OG O -6.488 1.156 -10.769 1.00 . A A . 12 SER OG 1 1 3 2106 1 1 13 ALA C C -7.130 0.502 -4.700 1.00 . A A . 13 ALA C 1 1 3 2107 1 1 13 ALA CA C -6.933 -0.336 -5.959 1.00 . A A . 13 ALA CA 1 1 3 2108 1 1 13 ALA CB C -6.321 -1.684 -5.608 1.00 . A A . 13 ALA CB 1 1 3 2109 1 1 13 ALA H H -5.160 0.109 -7.009 1.00 . A A . 13 ALA H 1 1 3 2110 1 1 13 ALA HA H -7.891 -0.511 -6.418 1.00 . A A . 13 ALA HA 1 1 3 2111 1 1 13 ALA HB1 H -5.693 -2.017 -6.422 1.00 . A A . 13 ALA HB1 1 1 3 2112 1 1 13 ALA HB2 H -7.108 -2.405 -5.443 1.00 . A A . 13 ALA HB2 1 1 3 2113 1 1 13 ALA HB3 H -5.727 -1.587 -4.711 1.00 . A A . 13 ALA HB3 1 1 3 2114 1 1 13 ALA N N -6.100 0.361 -6.926 1.00 . A A . 13 ALA N 1 1 3 2115 1 1 13 ALA O O -8.182 0.446 -4.063 1.00 . A A . 13 ALA O 1 1 3 2116 1 1 14 ILE C C -7.143 3.295 -3.384 1.00 . A A . 14 ILE C 1 1 3 2117 1 1 14 ILE CA C -6.175 2.133 -3.167 1.00 . A A . 14 ILE CA 1 1 3 2118 1 1 14 ILE CB C -4.778 2.689 -2.800 1.00 . A A . 14 ILE CB 1 1 3 2119 1 1 14 ILE CD1 C -3.065 0.873 -3.314 1.00 . A A . 14 ILE CD1 1 1 3 2120 1 1 14 ILE CG1 C -3.884 1.575 -2.250 1.00 . A A . 14 ILE CG1 1 1 3 2121 1 1 14 ILE CG2 C -4.893 3.818 -1.785 1.00 . A A . 14 ILE CG2 1 1 3 2122 1 1 14 ILE H H -5.301 1.284 -4.898 1.00 . A A . 14 ILE H 1 1 3 2123 1 1 14 ILE HA H -6.528 1.532 -2.342 1.00 . A A . 14 ILE HA 1 1 3 2124 1 1 14 ILE HB H -4.329 3.090 -3.696 1.00 . A A . 14 ILE HB 1 1 3 2125 1 1 14 ILE HD11 H -3.441 -0.130 -3.455 1.00 . A A . 14 ILE HD11 1 1 3 2126 1 1 14 ILE HD12 H -2.031 0.828 -3.004 1.00 . A A . 14 ILE HD12 1 1 3 2127 1 1 14 ILE HD13 H -3.138 1.417 -4.243 1.00 . A A . 14 ILE HD13 1 1 3 2128 1 1 14 ILE HG12 H -3.198 1.999 -1.529 1.00 . A A . 14 ILE HG12 1 1 3 2129 1 1 14 ILE HG13 H -4.501 0.835 -1.761 1.00 . A A . 14 ILE HG13 1 1 3 2130 1 1 14 ILE HG21 H -4.100 3.730 -1.057 1.00 . A A . 14 ILE HG21 1 1 3 2131 1 1 14 ILE HG22 H -5.848 3.757 -1.285 1.00 . A A . 14 ILE HG22 1 1 3 2132 1 1 14 ILE HG23 H -4.812 4.768 -2.292 1.00 . A A . 14 ILE HG23 1 1 3 2133 1 1 14 ILE N N -6.112 1.281 -4.349 1.00 . A A . 14 ILE N 1 1 3 2134 1 1 14 ILE O O -8.146 3.420 -2.681 1.00 . A A . 14 ILE O 1 1 3 2135 1 1 15 LEU C C -9.011 4.872 -5.247 1.00 . A A . 15 LEU C 1 1 3 2136 1 1 15 LEU CA C -7.668 5.301 -4.662 1.00 . A A . 15 LEU CA 1 1 3 2137 1 1 15 LEU CB C -6.949 6.234 -5.637 1.00 . A A . 15 LEU CB 1 1 3 2138 1 1 15 LEU CD1 C -4.898 7.589 -6.132 1.00 . A A . 15 LEU CD1 1 1 3 2139 1 1 15 LEU CD2 C -6.325 8.160 -4.160 1.00 . A A . 15 LEU CD2 1 1 3 2140 1 1 15 LEU CG C -5.793 7.035 -5.035 1.00 . A A . 15 LEU CG 1 1 3 2141 1 1 15 LEU H H -6.016 3.995 -4.879 1.00 . A A . 15 LEU H 1 1 3 2142 1 1 15 LEU HA H -7.847 5.831 -3.739 1.00 . A A . 15 LEU HA 1 1 3 2143 1 1 15 LEU HB2 H -6.562 5.640 -6.452 1.00 . A A . 15 LEU HB2 1 1 3 2144 1 1 15 LEU HB3 H -7.671 6.932 -6.034 1.00 . A A . 15 LEU HB3 1 1 3 2145 1 1 15 LEU HD11 H -3.871 7.576 -5.800 1.00 . A A . 15 LEU HD11 1 1 3 2146 1 1 15 LEU HD12 H -5.191 8.604 -6.358 1.00 . A A . 15 LEU HD12 1 1 3 2147 1 1 15 LEU HD13 H -4.997 6.980 -7.019 1.00 . A A . 15 LEU HD13 1 1 3 2148 1 1 15 LEU HD21 H -6.406 9.064 -4.745 1.00 . A A . 15 LEU HD21 1 1 3 2149 1 1 15 LEU HD22 H -5.648 8.325 -3.335 1.00 . A A . 15 LEU HD22 1 1 3 2150 1 1 15 LEU HD23 H -7.298 7.890 -3.778 1.00 . A A . 15 LEU HD23 1 1 3 2151 1 1 15 LEU HG H -5.196 6.382 -4.415 1.00 . A A . 15 LEU HG 1 1 3 2152 1 1 15 LEU N N -6.831 4.145 -4.357 1.00 . A A . 15 LEU N 1 1 3 2153 1 1 15 LEU O O -10.029 4.873 -4.556 1.00 . A A . 15 LEU O 1 1 3 2154 1 1 16 SER C C -10.912 2.950 -6.453 1.00 . A A . 16 SER C 1 1 3 2155 1 1 16 SER CA C -10.225 4.085 -7.209 1.00 . A A . 16 SER CA 1 1 3 2156 1 1 16 SER CB C -9.906 3.643 -8.638 1.00 . A A . 16 SER CB 1 1 3 2157 1 1 16 SER H H -8.164 4.534 -7.027 1.00 . A A . 16 SER H 1 1 3 2158 1 1 16 SER HA H -10.895 4.931 -7.246 1.00 . A A . 16 SER HA 1 1 3 2159 1 1 16 SER HB2 H -8.946 4.042 -8.930 1.00 . A A . 16 SER HB2 1 1 3 2160 1 1 16 SER HB3 H -9.876 2.564 -8.681 1.00 . A A . 16 SER HB3 1 1 3 2161 1 1 16 SER HG H -11.094 5.026 -9.355 1.00 . A A . 16 SER HG 1 1 3 2162 1 1 16 SER N N -9.006 4.511 -6.527 1.00 . A A . 16 SER N 1 1 3 2163 1 1 16 SER O O -11.979 3.138 -5.869 1.00 . A A . 16 SER O 1 1 3 2164 1 1 16 SER OG O -10.889 4.108 -9.547 1.00 . A A . 16 SER OG 1 1 3 2165 1 1 17 GLY C C -11.347 -0.440 -6.747 1.00 . A A . 17 GLY C 1 1 3 2166 1 1 17 GLY CA C -10.862 0.628 -5.786 1.00 . A A . 17 GLY CA 1 1 3 2167 1 1 17 GLY H H -9.446 1.683 -6.954 1.00 . A A . 17 GLY H 1 1 3 2168 1 1 17 GLY HA2 H -10.111 0.200 -5.140 1.00 . A A . 17 GLY HA2 1 1 3 2169 1 1 17 GLY HA3 H -11.695 0.958 -5.183 1.00 . A A . 17 GLY HA3 1 1 3 2170 1 1 17 GLY N N -10.294 1.774 -6.471 1.00 . A A . 17 GLY N 1 1 3 2171 1 1 17 GLY O O -12.258 -1.204 -6.429 1.00 . A A . 17 GLY O 1 1 3 2172 1 1 18 ALA C C -10.953 -2.892 -8.409 1.00 . A A . 18 ALA C 1 1 3 2173 1 1 18 ALA CA C -11.107 -1.474 -8.938 1.00 . A A . 18 ALA CA 1 1 3 2174 1 1 18 ALA CB C -10.270 -1.279 -10.194 1.00 . A A . 18 ALA CB 1 1 3 2175 1 1 18 ALA H H -10.016 0.143 -8.120 1.00 . A A . 18 ALA H 1 1 3 2176 1 1 18 ALA HA H -12.136 -1.313 -9.195 1.00 . A A . 18 ALA HA 1 1 3 2177 1 1 18 ALA HB1 H -9.312 -0.858 -9.926 1.00 . A A . 18 ALA HB1 1 1 3 2178 1 1 18 ALA HB2 H -10.782 -0.608 -10.868 1.00 . A A . 18 ALA HB2 1 1 3 2179 1 1 18 ALA HB3 H -10.121 -2.232 -10.679 1.00 . A A . 18 ALA HB3 1 1 3 2180 1 1 18 ALA N N -10.735 -0.493 -7.926 1.00 . A A . 18 ALA N 1 1 3 2181 1 1 18 ALA O O -11.931 -3.545 -8.043 1.00 . A A . 18 ALA O 1 1 3 2182 1 1 19 LYS C C -7.902 -4.893 -7.753 1.00 . A A . 19 LYS C 1 1 3 2183 1 1 19 LYS CA C -9.410 -4.696 -7.888 1.00 . A A . 19 LYS CA 1 1 3 2184 1 1 19 LYS CB C -9.995 -5.752 -8.830 1.00 . A A . 19 LYS CB 1 1 3 2185 1 1 19 LYS CD C -8.452 -5.920 -10.809 1.00 . A A . 19 LYS CD 1 1 3 2186 1 1 19 LYS CE C -7.856 -4.955 -11.821 1.00 . A A . 19 LYS CE 1 1 3 2187 1 1 19 LYS CG C -9.801 -5.434 -10.305 1.00 . A A . 19 LYS CG 1 1 3 2188 1 1 19 LYS H H -8.991 -2.780 -8.677 1.00 . A A . 19 LYS H 1 1 3 2189 1 1 19 LYS HA H -9.864 -4.804 -6.915 1.00 . A A . 19 LYS HA 1 1 3 2190 1 1 19 LYS HB2 H -9.521 -6.701 -8.625 1.00 . A A . 19 LYS HB2 1 1 3 2191 1 1 19 LYS HB3 H -11.054 -5.840 -8.639 1.00 . A A . 19 LYS HB3 1 1 3 2192 1 1 19 LYS HD2 H -7.776 -6.010 -9.971 1.00 . A A . 19 LYS HD2 1 1 3 2193 1 1 19 LYS HD3 H -8.580 -6.885 -11.276 1.00 . A A . 19 LYS HD3 1 1 3 2194 1 1 19 LYS HE2 H -7.297 -5.520 -12.552 1.00 . A A . 19 LYS HE2 1 1 3 2195 1 1 19 LYS HE3 H -8.661 -4.428 -12.313 1.00 . A A . 19 LYS HE3 1 1 3 2196 1 1 19 LYS HG2 H -10.581 -5.919 -10.872 1.00 . A A . 19 LYS HG2 1 1 3 2197 1 1 19 LYS HG3 H -9.864 -4.365 -10.445 1.00 . A A . 19 LYS HG3 1 1 3 2198 1 1 19 LYS HZ1 H -7.062 -3.033 -11.628 1.00 . A A . 19 LYS HZ1 1 1 3 2199 1 1 19 LYS HZ2 H -5.959 -4.267 -11.281 1.00 . A A . 19 LYS HZ2 1 1 3 2200 1 1 19 LYS HZ3 H -7.171 -3.879 -10.166 1.00 . A A . 19 LYS HZ3 1 1 3 2201 1 1 19 LYS N N -9.717 -3.356 -8.372 1.00 . A A . 19 LYS N 1 1 3 2202 1 1 19 LYS NZ N -6.949 -3.964 -11.179 1.00 . A A . 19 LYS NZ 1 1 3 2203 1 1 19 LYS O O -7.128 -4.385 -8.564 1.00 . A A . 19 LYS O 1 1 3 2204 1 1 20 PRO C C -5.447 -6.856 -7.512 1.00 . A A . 20 PRO C 1 1 3 2205 1 1 20 PRO CA C -6.038 -5.894 -6.487 1.00 . A A . 20 PRO CA 1 1 3 2206 1 1 20 PRO CB C -6.017 -6.520 -5.092 1.00 . A A . 20 PRO CB 1 1 3 2207 1 1 20 PRO CD C -8.316 -6.279 -5.704 1.00 . A A . 20 PRO CD 1 1 3 2208 1 1 20 PRO CG C -7.356 -7.154 -4.945 1.00 . A A . 20 PRO CG 1 1 3 2209 1 1 20 PRO HA H -5.465 -4.978 -6.483 1.00 . A A . 20 PRO HA 1 1 3 2210 1 1 20 PRO HB2 H -5.224 -7.251 -5.035 1.00 . A A . 20 PRO HB2 1 1 3 2211 1 1 20 PRO HB3 H -5.861 -5.751 -4.351 1.00 . A A . 20 PRO HB3 1 1 3 2212 1 1 20 PRO HD2 H -9.085 -6.877 -6.169 1.00 . A A . 20 PRO HD2 1 1 3 2213 1 1 20 PRO HD3 H -8.754 -5.542 -5.048 1.00 . A A . 20 PRO HD3 1 1 3 2214 1 1 20 PRO HG2 H -7.341 -8.148 -5.367 1.00 . A A . 20 PRO HG2 1 1 3 2215 1 1 20 PRO HG3 H -7.631 -7.193 -3.901 1.00 . A A . 20 PRO HG3 1 1 3 2216 1 1 20 PRO N N -7.462 -5.635 -6.721 1.00 . A A . 20 PRO N 1 1 3 2217 1 1 20 PRO O O -6.092 -7.195 -8.504 1.00 . A A . 20 PRO O 1 1 3 2218 1 1 21 SER C C -2.306 -8.801 -7.479 1.00 . A A . 21 SER C 1 1 3 2219 1 1 21 SER CA C -3.538 -8.212 -8.158 1.00 . A A . 21 SER CA 1 1 3 2220 1 1 21 SER CB C -3.141 -7.497 -9.452 1.00 . A A . 21 SER CB 1 1 3 2221 1 1 21 SER H H -3.754 -6.990 -6.461 1.00 . A A . 21 SER H 1 1 3 2222 1 1 21 SER HA H -4.222 -9.011 -8.392 1.00 . A A . 21 SER HA 1 1 3 2223 1 1 21 SER HB2 H -3.754 -6.617 -9.577 1.00 . A A . 21 SER HB2 1 1 3 2224 1 1 21 SER HB3 H -2.102 -7.207 -9.396 1.00 . A A . 21 SER HB3 1 1 3 2225 1 1 21 SER HG H -2.465 -8.645 -10.888 1.00 . A A . 21 SER HG 1 1 3 2226 1 1 21 SER N N -4.217 -7.292 -7.265 1.00 . A A . 21 SER N 1 1 3 2227 1 1 21 SER O O -2.172 -8.745 -6.257 1.00 . A A . 21 SER O 1 1 3 2228 1 1 21 SER OG O -3.320 -8.340 -10.577 1.00 . A A . 21 SER OG 1 1 3 2229 1 1 22 GLY C C 1.012 -9.067 -7.930 1.00 . A A . 22 GLY C 1 1 3 2230 1 1 22 GLY CA C -0.201 -9.955 -7.739 1.00 . A A . 22 GLY CA 1 1 3 2231 1 1 22 GLY H H -1.574 -9.377 -9.241 1.00 . A A . 22 GLY H 1 1 3 2232 1 1 22 GLY HA2 H -0.340 -10.135 -6.684 1.00 . A A . 22 GLY HA2 1 1 3 2233 1 1 22 GLY HA3 H -0.024 -10.899 -8.234 1.00 . A A . 22 GLY HA3 1 1 3 2234 1 1 22 GLY N N -1.411 -9.364 -8.278 1.00 . A A . 22 GLY N 1 1 3 2235 1 1 22 GLY O O 1.965 -9.131 -7.154 1.00 . A A . 22 GLY O 1 1 3 2236 1 1 23 GLU C C 2.377 -6.432 -8.081 1.00 . A A . 23 GLU C 1 1 3 2237 1 1 23 GLU CA C 2.075 -7.339 -9.269 1.00 . A A . 23 GLU CA 1 1 3 2238 1 1 23 GLU CB C 1.716 -6.498 -10.489 1.00 . A A . 23 GLU CB 1 1 3 2239 1 1 23 GLU CD C 2.836 -4.543 -11.624 1.00 . A A . 23 GLU CD 1 1 3 2240 1 1 23 GLU CG C 2.925 -6.011 -11.251 1.00 . A A . 23 GLU CG 1 1 3 2241 1 1 23 GLU H H 0.200 -8.233 -9.556 1.00 . A A . 23 GLU H 1 1 3 2242 1 1 23 GLU HA H 2.948 -7.933 -9.491 1.00 . A A . 23 GLU HA 1 1 3 2243 1 1 23 GLU HB2 H 1.110 -7.095 -11.159 1.00 . A A . 23 GLU HB2 1 1 3 2244 1 1 23 GLU HB3 H 1.147 -5.637 -10.166 1.00 . A A . 23 GLU HB3 1 1 3 2245 1 1 23 GLU HG2 H 3.798 -6.161 -10.637 1.00 . A A . 23 GLU HG2 1 1 3 2246 1 1 23 GLU HG3 H 3.014 -6.595 -12.153 1.00 . A A . 23 GLU HG3 1 1 3 2247 1 1 23 GLU N N 0.979 -8.239 -8.969 1.00 . A A . 23 GLU N 1 1 3 2248 1 1 23 GLU O O 3.527 -6.304 -7.661 1.00 . A A . 23 GLU O 1 1 3 2249 1 1 23 GLU OE1 O 1.751 -4.108 -12.063 1.00 . A A . 23 GLU OE1 1 1 3 2250 1 1 23 GLU OE2 O 3.850 -3.830 -11.476 1.00 . A A . 23 GLU OE2 1 1 3 2251 1 1 24 CYS C C 2.238 -5.580 -5.268 1.00 . A A . 24 CYS C 1 1 3 2252 1 1 24 CYS CA C 1.487 -4.903 -6.409 1.00 . A A . 24 CYS CA 1 1 3 2253 1 1 24 CYS CB C 0.117 -4.419 -5.922 1.00 . A A . 24 CYS CB 1 1 3 2254 1 1 24 CYS H H 0.446 -5.943 -7.926 1.00 . A A . 24 CYS H 1 1 3 2255 1 1 24 CYS HA H 2.058 -4.058 -6.741 1.00 . A A . 24 CYS HA 1 1 3 2256 1 1 24 CYS HB2 H -0.351 -3.842 -6.706 1.00 . A A . 24 CYS HB2 1 1 3 2257 1 1 24 CYS HB3 H -0.501 -5.276 -5.697 1.00 . A A . 24 CYS HB3 1 1 3 2258 1 1 24 CYS N N 1.336 -5.802 -7.546 1.00 . A A . 24 CYS N 1 1 3 2259 1 1 24 CYS O O 2.905 -4.920 -4.472 1.00 . A A . 24 CYS O 1 1 3 2260 1 1 24 CYS SG S 0.181 -3.372 -4.429 1.00 . A A . 24 CYS SG 1 1 3 2261 1 1 25 CYS C C 4.307 -7.627 -4.343 1.00 . A A . 25 CYS C 1 1 3 2262 1 1 25 CYS CA C 2.797 -7.665 -4.155 1.00 . A A . 25 CYS CA 1 1 3 2263 1 1 25 CYS CB C 2.313 -9.117 -4.156 1.00 . A A . 25 CYS CB 1 1 3 2264 1 1 25 CYS H H 1.584 -7.367 -5.863 1.00 . A A . 25 CYS H 1 1 3 2265 1 1 25 CYS HA H 2.554 -7.215 -3.205 1.00 . A A . 25 CYS HA 1 1 3 2266 1 1 25 CYS HB2 H 2.602 -9.584 -5.085 1.00 . A A . 25 CYS HB2 1 1 3 2267 1 1 25 CYS HB3 H 2.779 -9.643 -3.336 1.00 . A A . 25 CYS HB3 1 1 3 2268 1 1 25 CYS N N 2.127 -6.899 -5.198 1.00 . A A . 25 CYS N 1 1 3 2269 1 1 25 CYS O O 5.037 -7.147 -3.477 1.00 . A A . 25 CYS O 1 1 3 2270 1 1 25 CYS SG S 0.508 -9.306 -3.981 1.00 . A A . 25 CYS SG 1 1 3 2271 1 1 26 GLY C C 6.823 -6.781 -5.693 1.00 . A A . 26 GLY C 1 1 3 2272 1 1 26 GLY CA C 6.191 -8.157 -5.762 1.00 . A A . 26 GLY CA 1 1 3 2273 1 1 26 GLY H H 4.136 -8.507 -6.132 1.00 . A A . 26 GLY H 1 1 3 2274 1 1 26 GLY HA2 H 6.679 -8.798 -5.043 1.00 . A A . 26 GLY HA2 1 1 3 2275 1 1 26 GLY HA3 H 6.345 -8.562 -6.751 1.00 . A A . 26 GLY HA3 1 1 3 2276 1 1 26 GLY N N 4.768 -8.137 -5.479 1.00 . A A . 26 GLY N 1 1 3 2277 1 1 26 GLY O O 8.004 -6.650 -5.371 1.00 . A A . 26 GLY O 1 1 3 2278 1 1 27 ASN C C 6.783 -3.930 -4.552 1.00 . A A . 27 ASN C 1 1 3 2279 1 1 27 ASN CA C 6.536 -4.390 -5.975 1.00 . A A . 27 ASN CA 1 1 3 2280 1 1 27 ASN CB C 5.549 -3.449 -6.668 1.00 . A A . 27 ASN CB 1 1 3 2281 1 1 27 ASN CG C 5.403 -3.750 -8.146 1.00 . A A . 27 ASN CG 1 1 3 2282 1 1 27 ASN H H 5.115 -5.911 -6.252 1.00 . A A . 27 ASN H 1 1 3 2283 1 1 27 ASN HA H 7.460 -4.378 -6.501 1.00 . A A . 27 ASN HA 1 1 3 2284 1 1 27 ASN HB2 H 4.579 -3.548 -6.203 1.00 . A A . 27 ASN HB2 1 1 3 2285 1 1 27 ASN HB3 H 5.893 -2.431 -6.558 1.00 . A A . 27 ASN HB3 1 1 3 2286 1 1 27 ASN HD21 H 7.293 -3.220 -8.465 1.00 . A A . 27 ASN HD21 1 1 3 2287 1 1 27 ASN HD22 H 6.412 -3.737 -9.858 1.00 . A A . 27 ASN HD22 1 1 3 2288 1 1 27 ASN N N 6.041 -5.752 -6.000 1.00 . A A . 27 ASN N 1 1 3 2289 1 1 27 ASN ND2 N 6.478 -3.548 -8.899 1.00 . A A . 27 ASN ND2 1 1 3 2290 1 1 27 ASN O O 7.924 -3.714 -4.143 1.00 . A A . 27 ASN O 1 1 3 2291 1 1 27 ASN OD1 O 4.337 -4.158 -8.606 1.00 . A A . 27 ASN OD1 1 1 3 2292 1 1 28 LEU C C 6.707 -4.278 -1.628 1.00 . A A . 28 LEU C 1 1 3 2293 1 1 28 LEU CA C 5.796 -3.351 -2.422 1.00 . A A . 28 LEU CA 1 1 3 2294 1 1 28 LEU CB C 4.410 -3.280 -1.778 1.00 . A A . 28 LEU CB 1 1 3 2295 1 1 28 LEU CD1 C 3.916 -5.321 -0.420 1.00 . A A . 28 LEU CD1 1 1 3 2296 1 1 28 LEU CD2 C 2.158 -4.366 -1.919 1.00 . A A . 28 LEU CD2 1 1 3 2297 1 1 28 LEU CG C 3.650 -4.601 -1.731 1.00 . A A . 28 LEU CG 1 1 3 2298 1 1 28 LEU H H 4.835 -3.974 -4.196 1.00 . A A . 28 LEU H 1 1 3 2299 1 1 28 LEU HA H 6.226 -2.372 -2.425 1.00 . A A . 28 LEU HA 1 1 3 2300 1 1 28 LEU HB2 H 4.525 -2.918 -0.767 1.00 . A A . 28 LEU HB2 1 1 3 2301 1 1 28 LEU HB3 H 3.816 -2.568 -2.331 1.00 . A A . 28 LEU HB3 1 1 3 2302 1 1 28 LEU HD11 H 4.963 -5.242 -0.169 1.00 . A A . 28 LEU HD11 1 1 3 2303 1 1 28 LEU HD12 H 3.649 -6.360 -0.525 1.00 . A A . 28 LEU HD12 1 1 3 2304 1 1 28 LEU HD13 H 3.323 -4.874 0.363 1.00 . A A . 28 LEU HD13 1 1 3 2305 1 1 28 LEU HD21 H 1.740 -5.166 -2.512 1.00 . A A . 28 LEU HD21 1 1 3 2306 1 1 28 LEU HD22 H 2.003 -3.424 -2.423 1.00 . A A . 28 LEU HD22 1 1 3 2307 1 1 28 LEU HD23 H 1.673 -4.343 -0.954 1.00 . A A . 28 LEU HD23 1 1 3 2308 1 1 28 LEU HG H 3.996 -5.232 -2.535 1.00 . A A . 28 LEU HG 1 1 3 2309 1 1 28 LEU N N 5.706 -3.785 -3.805 1.00 . A A . 28 LEU N 1 1 3 2310 1 1 28 LEU O O 7.334 -3.863 -0.653 1.00 . A A . 28 LEU O 1 1 3 2311 1 1 29 ARG C C 9.077 -6.085 -1.459 1.00 . A A . 29 ARG C 1 1 3 2312 1 1 29 ARG CA C 7.626 -6.510 -1.394 1.00 . A A . 29 ARG CA 1 1 3 2313 1 1 29 ARG CB C 7.460 -7.894 -2.031 1.00 . A A . 29 ARG CB 1 1 3 2314 1 1 29 ARG CD C 5.368 -8.143 -0.653 1.00 . A A . 29 ARG CD 1 1 3 2315 1 1 29 ARG CG C 6.585 -8.844 -1.230 1.00 . A A . 29 ARG CG 1 1 3 2316 1 1 29 ARG CZ C 5.703 -8.594 1.747 1.00 . A A . 29 ARG CZ 1 1 3 2317 1 1 29 ARG H H 6.267 -5.806 -2.837 1.00 . A A . 29 ARG H 1 1 3 2318 1 1 29 ARG HA H 7.323 -6.547 -0.372 1.00 . A A . 29 ARG HA 1 1 3 2319 1 1 29 ARG HB2 H 7.023 -7.776 -3.010 1.00 . A A . 29 ARG HB2 1 1 3 2320 1 1 29 ARG HB3 H 8.436 -8.345 -2.138 1.00 . A A . 29 ARG HB3 1 1 3 2321 1 1 29 ARG HD2 H 5.163 -7.267 -1.248 1.00 . A A . 29 ARG HD2 1 1 3 2322 1 1 29 ARG HD3 H 4.525 -8.815 -0.701 1.00 . A A . 29 ARG HD3 1 1 3 2323 1 1 29 ARG HE H 5.623 -6.777 0.924 1.00 . A A . 29 ARG HE 1 1 3 2324 1 1 29 ARG HG2 H 6.252 -9.638 -1.878 1.00 . A A . 29 ARG HG2 1 1 3 2325 1 1 29 ARG HG3 H 7.169 -9.257 -0.421 1.00 . A A . 29 ARG HG3 1 1 3 2326 1 1 29 ARG HH11 H 5.515 -10.250 0.600 1.00 . A A . 29 ARG HH11 1 1 3 2327 1 1 29 ARG HH12 H 5.746 -10.541 2.292 1.00 . A A . 29 ARG HH12 1 1 3 2328 1 1 29 ARG HH21 H 5.927 -7.157 3.150 1.00 . A A . 29 ARG HH21 1 1 3 2329 1 1 29 ARG HH22 H 5.980 -8.784 3.740 1.00 . A A . 29 ARG HH22 1 1 3 2330 1 1 29 ARG N N 6.783 -5.534 -2.057 1.00 . A A . 29 ARG N 1 1 3 2331 1 1 29 ARG NE N 5.576 -7.738 0.735 1.00 . A A . 29 ARG NE 1 1 3 2332 1 1 29 ARG NH1 N 5.650 -9.902 1.528 1.00 . A A . 29 ARG NH1 1 1 3 2333 1 1 29 ARG NH2 N 5.885 -8.141 2.980 1.00 . A A . 29 ARG NH2 1 1 3 2334 1 1 29 ARG O O 9.790 -6.098 -0.456 1.00 . A A . 29 ARG O 1 1 3 2335 1 1 30 ALA C C 11.214 -4.141 -1.860 1.00 . A A . 30 ALA C 1 1 3 2336 1 1 30 ALA CA C 10.867 -5.242 -2.853 1.00 . A A . 30 ALA CA 1 1 3 2337 1 1 30 ALA CB C 11.059 -4.754 -4.281 1.00 . A A . 30 ALA CB 1 1 3 2338 1 1 30 ALA H H 8.880 -5.696 -3.401 1.00 . A A . 30 ALA H 1 1 3 2339 1 1 30 ALA HA H 11.519 -6.082 -2.690 1.00 . A A . 30 ALA HA 1 1 3 2340 1 1 30 ALA HB1 H 10.527 -3.824 -4.419 1.00 . A A . 30 ALA HB1 1 1 3 2341 1 1 30 ALA HB2 H 10.676 -5.493 -4.969 1.00 . A A . 30 ALA HB2 1 1 3 2342 1 1 30 ALA HB3 H 12.111 -4.598 -4.470 1.00 . A A . 30 ALA HB3 1 1 3 2343 1 1 30 ALA N N 9.503 -5.692 -2.648 1.00 . A A . 30 ALA N 1 1 3 2344 1 1 30 ALA O O 12.381 -3.925 -1.532 1.00 . A A . 30 ALA O 1 1 3 2345 1 1 31 GLN C C 10.516 -2.952 0.994 1.00 . A A . 31 GLN C 1 1 3 2346 1 1 31 GLN CA C 10.357 -2.386 -0.409 1.00 . A A . 31 GLN CA 1 1 3 2347 1 1 31 GLN CB C 9.171 -1.419 -0.459 1.00 . A A . 31 GLN CB 1 1 3 2348 1 1 31 GLN CD C 7.916 0.203 -1.922 1.00 . A A . 31 GLN CD 1 1 3 2349 1 1 31 GLN CG C 8.726 -1.075 -1.870 1.00 . A A . 31 GLN CG 1 1 3 2350 1 1 31 GLN H H 9.274 -3.692 -1.669 1.00 . A A . 31 GLN H 1 1 3 2351 1 1 31 GLN HA H 11.256 -1.849 -0.667 1.00 . A A . 31 GLN HA 1 1 3 2352 1 1 31 GLN HB2 H 8.335 -1.862 0.059 1.00 . A A . 31 GLN HB2 1 1 3 2353 1 1 31 GLN HB3 H 9.447 -0.501 0.039 1.00 . A A . 31 GLN HB3 1 1 3 2354 1 1 31 GLN HE21 H 9.536 1.230 -2.450 1.00 . A A . 31 GLN HE21 1 1 3 2355 1 1 31 GLN HE22 H 8.073 2.150 -2.290 1.00 . A A . 31 GLN HE22 1 1 3 2356 1 1 31 GLN HG2 H 9.601 -0.955 -2.491 1.00 . A A . 31 GLN HG2 1 1 3 2357 1 1 31 GLN HG3 H 8.122 -1.885 -2.252 1.00 . A A . 31 GLN HG3 1 1 3 2358 1 1 31 GLN N N 10.182 -3.457 -1.377 1.00 . A A . 31 GLN N 1 1 3 2359 1 1 31 GLN NE2 N 8.574 1.305 -2.256 1.00 . A A . 31 GLN NE2 1 1 3 2360 1 1 31 GLN O O 11.606 -2.925 1.566 1.00 . A A . 31 GLN O 1 1 3 2361 1 1 31 GLN OE1 O 6.714 0.200 -1.662 1.00 . A A . 31 GLN OE1 1 1 3 2362 1 1 32 GLN C C 10.110 -3.112 3.890 1.00 . A A . 32 GLN C 1 1 3 2363 1 1 32 GLN CA C 9.424 -4.038 2.885 1.00 . A A . 32 GLN CA 1 1 3 2364 1 1 32 GLN CB C 10.109 -5.398 2.859 1.00 . A A . 32 GLN CB 1 1 3 2365 1 1 32 GLN CD C 8.840 -7.577 2.749 1.00 . A A . 32 GLN CD 1 1 3 2366 1 1 32 GLN CG C 9.359 -6.463 3.638 1.00 . A A . 32 GLN CG 1 1 3 2367 1 1 32 GLN H H 8.581 -3.460 1.040 1.00 . A A . 32 GLN H 1 1 3 2368 1 1 32 GLN HA H 8.396 -4.173 3.188 1.00 . A A . 32 GLN HA 1 1 3 2369 1 1 32 GLN HB2 H 10.189 -5.722 1.830 1.00 . A A . 32 GLN HB2 1 1 3 2370 1 1 32 GLN HB3 H 11.098 -5.299 3.278 1.00 . A A . 32 GLN HB3 1 1 3 2371 1 1 32 GLN HE21 H 8.250 -6.247 1.395 1.00 . A A . 32 GLN HE21 1 1 3 2372 1 1 32 GLN HE22 H 7.945 -7.901 1.004 1.00 . A A . 32 GLN HE22 1 1 3 2373 1 1 32 GLN HG2 H 10.022 -6.888 4.375 1.00 . A A . 32 GLN HG2 1 1 3 2374 1 1 32 GLN HG3 H 8.519 -5.998 4.132 1.00 . A A . 32 GLN HG3 1 1 3 2375 1 1 32 GLN N N 9.417 -3.465 1.546 1.00 . A A . 32 GLN N 1 1 3 2376 1 1 32 GLN NE2 N 8.290 -7.204 1.600 1.00 . A A . 32 GLN NE2 1 1 3 2377 1 1 32 GLN O O 10.533 -3.544 4.963 1.00 . A A . 32 GLN O 1 1 3 2378 1 1 32 GLN OE1 O 8.934 -8.755 3.091 1.00 . A A . 32 GLN OE1 1 1 3 2379 1 1 33 GLY C C 10.040 0.440 4.432 1.00 . A A . 33 GLY C 1 1 3 2380 1 1 33 GLY CA C 10.826 -0.854 4.404 1.00 . A A . 33 GLY CA 1 1 3 2381 1 1 33 GLY H H 9.843 -1.554 2.670 1.00 . A A . 33 GLY H 1 1 3 2382 1 1 33 GLY HA2 H 10.882 -1.256 5.405 1.00 . A A . 33 GLY HA2 1 1 3 2383 1 1 33 GLY HA3 H 11.825 -0.650 4.049 1.00 . A A . 33 GLY HA3 1 1 3 2384 1 1 33 GLY N N 10.206 -1.835 3.534 1.00 . A A . 33 GLY N 1 1 3 2385 1 1 33 GLY O O 9.240 0.668 5.341 1.00 . A A . 33 GLY O 1 1 3 2386 1 1 34 CYS C C 8.046 2.307 3.270 1.00 . A A . 34 CYS C 1 1 3 2387 1 1 34 CYS CA C 9.546 2.549 3.329 1.00 . A A . 34 CYS CA 1 1 3 2388 1 1 34 CYS CB C 9.996 3.313 2.095 1.00 . A A . 34 CYS CB 1 1 3 2389 1 1 34 CYS H H 10.891 1.043 2.729 1.00 . A A . 34 CYS H 1 1 3 2390 1 1 34 CYS HA H 9.775 3.121 4.194 1.00 . A A . 34 CYS HA 1 1 3 2391 1 1 34 CYS HB2 H 11.042 3.111 1.913 1.00 . A A . 34 CYS HB2 1 1 3 2392 1 1 34 CYS HB3 H 9.415 2.973 1.259 1.00 . A A . 34 CYS HB3 1 1 3 2393 1 1 34 CYS N N 10.253 1.283 3.426 1.00 . A A . 34 CYS N 1 1 3 2394 1 1 34 CYS O O 7.251 3.070 3.820 1.00 . A A . 34 CYS O 1 1 3 2395 1 1 34 CYS SG S 9.787 5.119 2.217 1.00 . A A . 34 CYS SG 1 1 3 2396 1 1 35 PHE C C 5.682 0.510 3.814 1.00 . A A . 35 PHE C 1 1 3 2397 1 1 35 PHE CA C 6.282 0.838 2.453 1.00 . A A . 35 PHE CA 1 1 3 2398 1 1 35 PHE CB C 6.183 -0.358 1.494 1.00 . A A . 35 PHE CB 1 1 3 2399 1 1 35 PHE CD1 C 3.818 -0.982 2.094 1.00 . A A . 35 PHE CD1 1 1 3 2400 1 1 35 PHE CD2 C 5.439 -2.720 1.899 1.00 . A A . 35 PHE CD2 1 1 3 2401 1 1 35 PHE CE1 C 2.850 -1.919 2.406 1.00 . A A . 35 PHE CE1 1 1 3 2402 1 1 35 PHE CE2 C 4.477 -3.659 2.209 1.00 . A A . 35 PHE CE2 1 1 3 2403 1 1 35 PHE CG C 5.123 -1.372 1.838 1.00 . A A . 35 PHE CG 1 1 3 2404 1 1 35 PHE CZ C 3.180 -3.259 2.463 1.00 . A A . 35 PHE CZ 1 1 3 2405 1 1 35 PHE H H 8.374 0.667 2.197 1.00 . A A . 35 PHE H 1 1 3 2406 1 1 35 PHE HA H 5.751 1.672 2.035 1.00 . A A . 35 PHE HA 1 1 3 2407 1 1 35 PHE HB2 H 5.972 0.008 0.501 1.00 . A A . 35 PHE HB2 1 1 3 2408 1 1 35 PHE HB3 H 7.135 -0.869 1.485 1.00 . A A . 35 PHE HB3 1 1 3 2409 1 1 35 PHE HD1 H 3.559 0.066 2.050 1.00 . A A . 35 PHE HD1 1 1 3 2410 1 1 35 PHE HD2 H 6.453 -3.035 1.701 1.00 . A A . 35 PHE HD2 1 1 3 2411 1 1 35 PHE HE1 H 1.837 -1.603 2.605 1.00 . A A . 35 PHE HE1 1 1 3 2412 1 1 35 PHE HE2 H 4.739 -4.706 2.250 1.00 . A A . 35 PHE HE2 1 1 3 2413 1 1 35 PHE HZ H 2.425 -3.992 2.706 1.00 . A A . 35 PHE HZ 1 1 3 2414 1 1 35 PHE N N 7.679 1.226 2.600 1.00 . A A . 35 PHE N 1 1 3 2415 1 1 35 PHE O O 4.540 0.862 4.109 1.00 . A A . 35 PHE O 1 1 3 2416 1 1 36 CYS C C 5.857 0.698 6.849 1.00 . A A . 36 CYS C 1 1 3 2417 1 1 36 CYS CA C 6.040 -0.539 5.976 1.00 . A A . 36 CYS CA 1 1 3 2418 1 1 36 CYS CB C 7.059 -1.485 6.615 1.00 . A A . 36 CYS CB 1 1 3 2419 1 1 36 CYS H H 7.369 -0.400 4.330 1.00 . A A . 36 CYS H 1 1 3 2420 1 1 36 CYS HA H 5.092 -1.048 5.889 1.00 . A A . 36 CYS HA 1 1 3 2421 1 1 36 CYS HB2 H 7.550 -2.051 5.838 1.00 . A A . 36 CYS HB2 1 1 3 2422 1 1 36 CYS HB3 H 7.795 -0.901 7.148 1.00 . A A . 36 CYS HB3 1 1 3 2423 1 1 36 CYS N N 6.470 -0.160 4.635 1.00 . A A . 36 CYS N 1 1 3 2424 1 1 36 CYS O O 4.786 0.921 7.412 1.00 . A A . 36 CYS O 1 1 3 2425 1 1 36 CYS SG S 6.334 -2.674 7.791 1.00 . A A . 36 CYS SG 1 1 3 2426 1 1 37 GLN C C 5.845 3.692 7.192 1.00 . A A . 37 GLN C 1 1 3 2427 1 1 37 GLN CA C 6.874 2.716 7.747 1.00 . A A . 37 GLN CA 1 1 3 2428 1 1 37 GLN CB C 8.255 3.374 7.788 1.00 . A A . 37 GLN CB 1 1 3 2429 1 1 37 GLN CD C 8.168 5.218 6.064 1.00 . A A . 37 GLN CD 1 1 3 2430 1 1 37 GLN CG C 8.739 3.862 6.432 1.00 . A A . 37 GLN CG 1 1 3 2431 1 1 37 GLN H H 7.729 1.273 6.481 1.00 . A A . 37 GLN H 1 1 3 2432 1 1 37 GLN HA H 6.589 2.439 8.743 1.00 . A A . 37 GLN HA 1 1 3 2433 1 1 37 GLN HB2 H 8.218 4.220 8.458 1.00 . A A . 37 GLN HB2 1 1 3 2434 1 1 37 GLN HB3 H 8.971 2.658 8.164 1.00 . A A . 37 GLN HB3 1 1 3 2435 1 1 37 GLN HE21 H 8.000 4.658 4.163 1.00 . A A . 37 GLN HE21 1 1 3 2436 1 1 37 GLN HE22 H 7.480 6.266 4.521 1.00 . A A . 37 GLN HE22 1 1 3 2437 1 1 37 GLN HG2 H 9.816 3.937 6.454 1.00 . A A . 37 GLN HG2 1 1 3 2438 1 1 37 GLN HG3 H 8.444 3.146 5.680 1.00 . A A . 37 GLN HG3 1 1 3 2439 1 1 37 GLN N N 6.911 1.502 6.952 1.00 . A A . 37 GLN N 1 1 3 2440 1 1 37 GLN NE2 N 7.850 5.399 4.787 1.00 . A A . 37 GLN NE2 1 1 3 2441 1 1 37 GLN O O 5.317 4.536 7.917 1.00 . A A . 37 GLN O 1 1 3 2442 1 1 37 GLN OE1 O 8.014 6.092 6.916 1.00 . A A . 37 GLN OE1 1 1 3 2443 1 1 38 TYR C C 3.246 4.384 5.982 1.00 . A A . 38 TYR C 1 1 3 2444 1 1 38 TYR CA C 4.581 4.421 5.242 1.00 . A A . 38 TYR CA 1 1 3 2445 1 1 38 TYR CB C 4.387 3.982 3.787 1.00 . A A . 38 TYR CB 1 1 3 2446 1 1 38 TYR CD1 C 4.466 6.276 2.734 1.00 . A A . 38 TYR CD1 1 1 3 2447 1 1 38 TYR CD2 C 5.908 4.590 1.864 1.00 . A A . 38 TYR CD2 1 1 3 2448 1 1 38 TYR CE1 C 4.960 7.180 1.812 1.00 . A A . 38 TYR CE1 1 1 3 2449 1 1 38 TYR CE2 C 6.407 5.487 0.939 1.00 . A A . 38 TYR CE2 1 1 3 2450 1 1 38 TYR CG C 4.931 4.968 2.776 1.00 . A A . 38 TYR CG 1 1 3 2451 1 1 38 TYR CZ C 5.930 6.781 0.918 1.00 . A A . 38 TYR CZ 1 1 3 2452 1 1 38 TYR H H 6.007 2.865 5.382 1.00 . A A . 38 TYR H 1 1 3 2453 1 1 38 TYR HA H 4.962 5.431 5.258 1.00 . A A . 38 TYR HA 1 1 3 2454 1 1 38 TYR HB2 H 4.891 3.040 3.633 1.00 . A A . 38 TYR HB2 1 1 3 2455 1 1 38 TYR HB3 H 3.331 3.856 3.592 1.00 . A A . 38 TYR HB3 1 1 3 2456 1 1 38 TYR HD1 H 3.707 6.586 3.435 1.00 . A A . 38 TYR HD1 1 1 3 2457 1 1 38 TYR HD2 H 6.280 3.576 1.882 1.00 . A A . 38 TYR HD2 1 1 3 2458 1 1 38 TYR HE1 H 4.586 8.193 1.796 1.00 . A A . 38 TYR HE1 1 1 3 2459 1 1 38 TYR HE2 H 7.167 5.174 0.238 1.00 . A A . 38 TYR HE2 1 1 3 2460 1 1 38 TYR HH H 7.374 7.563 -0.081 1.00 . A A . 38 TYR HH 1 1 3 2461 1 1 38 TYR N N 5.557 3.562 5.902 1.00 . A A . 38 TYR N 1 1 3 2462 1 1 38 TYR O O 2.440 5.309 5.877 1.00 . A A . 38 TYR O 1 1 3 2463 1 1 38 TYR OH O 6.425 7.677 -0.001 1.00 . A A . 38 TYR OH 1 1 3 2464 1 1 39 ALA C C 1.540 4.323 8.425 1.00 . A A . 39 ALA C 1 1 3 2465 1 1 39 ALA CA C 1.787 3.143 7.488 1.00 . A A . 39 ALA CA 1 1 3 2466 1 1 39 ALA CB C 1.820 1.841 8.274 1.00 . A A . 39 ALA CB 1 1 3 2467 1 1 39 ALA H H 3.698 2.601 6.772 1.00 . A A . 39 ALA H 1 1 3 2468 1 1 39 ALA HA H 0.979 3.085 6.782 1.00 . A A . 39 ALA HA 1 1 3 2469 1 1 39 ALA HB1 H 0.861 1.350 8.198 1.00 . A A . 39 ALA HB1 1 1 3 2470 1 1 39 ALA HB2 H 2.037 2.051 9.311 1.00 . A A . 39 ALA HB2 1 1 3 2471 1 1 39 ALA HB3 H 2.587 1.196 7.870 1.00 . A A . 39 ALA HB3 1 1 3 2472 1 1 39 ALA N N 3.020 3.306 6.731 1.00 . A A . 39 ALA N 1 1 3 2473 1 1 39 ALA O O 0.408 4.572 8.838 1.00 . A A . 39 ALA O 1 1 3 2474 1 1 40 LYS C C 2.818 7.495 8.900 1.00 . A A . 40 LYS C 1 1 3 2475 1 1 40 LYS CA C 2.501 6.199 9.644 1.00 . A A . 40 LYS CA 1 1 3 2476 1 1 40 LYS CB C 3.449 6.035 10.834 1.00 . A A . 40 LYS CB 1 1 3 2477 1 1 40 LYS CD C 3.772 6.617 13.257 1.00 . A A . 40 LYS CD 1 1 3 2478 1 1 40 LYS CE C 4.558 5.415 13.755 1.00 . A A . 40 LYS CE 1 1 3 2479 1 1 40 LYS CG C 2.772 6.223 12.182 1.00 . A A . 40 LYS CG 1 1 3 2480 1 1 40 LYS H H 3.479 4.798 8.394 1.00 . A A . 40 LYS H 1 1 3 2481 1 1 40 LYS HA H 1.486 6.246 10.008 1.00 . A A . 40 LYS HA 1 1 3 2482 1 1 40 LYS HB2 H 3.875 5.044 10.804 1.00 . A A . 40 LYS HB2 1 1 3 2483 1 1 40 LYS HB3 H 4.244 6.761 10.750 1.00 . A A . 40 LYS HB3 1 1 3 2484 1 1 40 LYS HD2 H 4.461 7.340 12.846 1.00 . A A . 40 LYS HD2 1 1 3 2485 1 1 40 LYS HD3 H 3.238 7.057 14.087 1.00 . A A . 40 LYS HD3 1 1 3 2486 1 1 40 LYS HE2 H 4.695 4.725 12.935 1.00 . A A . 40 LYS HE2 1 1 3 2487 1 1 40 LYS HE3 H 5.522 5.752 14.105 1.00 . A A . 40 LYS HE3 1 1 3 2488 1 1 40 LYS HG2 H 2.028 7.000 12.095 1.00 . A A . 40 LYS HG2 1 1 3 2489 1 1 40 LYS HG3 H 2.296 5.296 12.467 1.00 . A A . 40 LYS HG3 1 1 3 2490 1 1 40 LYS HZ1 H 3.200 5.366 15.341 1.00 . A A . 40 LYS HZ1 1 1 3 2491 1 1 40 LYS HZ2 H 4.546 4.366 15.561 1.00 . A A . 40 LYS HZ2 1 1 3 2492 1 1 40 LYS HZ3 H 3.317 3.906 14.493 1.00 . A A . 40 LYS HZ3 1 1 3 2493 1 1 40 LYS N N 2.604 5.045 8.756 1.00 . A A . 40 LYS N 1 1 3 2494 1 1 40 LYS NZ N 3.856 4.714 14.865 1.00 . A A . 40 LYS NZ 1 1 3 2495 1 1 40 LYS O O 3.069 8.530 9.517 1.00 . A A . 40 LYS O 1 1 3 2496 1 1 41 ASP C C 1.864 9.498 6.633 1.00 . A A . 41 ASP C 1 1 3 2497 1 1 41 ASP CA C 3.093 8.592 6.743 1.00 . A A . 41 ASP CA 1 1 3 2498 1 1 41 ASP CB C 3.540 8.136 5.353 1.00 . A A . 41 ASP CB 1 1 3 2499 1 1 41 ASP CG C 3.735 9.291 4.390 1.00 . A A . 41 ASP CG 1 1 3 2500 1 1 41 ASP H H 2.600 6.575 7.140 1.00 . A A . 41 ASP H 1 1 3 2501 1 1 41 ASP HA H 3.897 9.141 7.208 1.00 . A A . 41 ASP HA 1 1 3 2502 1 1 41 ASP HB2 H 4.480 7.606 5.441 1.00 . A A . 41 ASP HB2 1 1 3 2503 1 1 41 ASP HB3 H 2.792 7.470 4.944 1.00 . A A . 41 ASP HB3 1 1 3 2504 1 1 41 ASP N N 2.806 7.429 7.573 1.00 . A A . 41 ASP N 1 1 3 2505 1 1 41 ASP O O 0.848 9.107 6.057 1.00 . A A . 41 ASP O 1 1 3 2506 1 1 41 ASP OD1 O 2.728 9.771 3.828 1.00 . A A . 41 ASP OD1 1 1 3 2507 1 1 41 ASP OD2 O 4.894 9.714 4.197 1.00 . A A . 41 ASP OD2 1 1 3 2508 1 1 42 PRO C C 0.663 12.340 5.783 1.00 . A A . 42 PRO C 1 1 3 2509 1 1 42 PRO CA C 0.822 11.674 7.147 1.00 . A A . 42 PRO CA 1 1 3 2510 1 1 42 PRO CB C 1.211 12.708 8.203 1.00 . A A . 42 PRO CB 1 1 3 2511 1 1 42 PRO CD C 3.106 11.275 7.900 1.00 . A A . 42 PRO CD 1 1 3 2512 1 1 42 PRO CG C 2.700 12.693 8.208 1.00 . A A . 42 PRO CG 1 1 3 2513 1 1 42 PRO HA H -0.109 11.204 7.427 1.00 . A A . 42 PRO HA 1 1 3 2514 1 1 42 PRO HB2 H 0.825 13.677 7.922 1.00 . A A . 42 PRO HB2 1 1 3 2515 1 1 42 PRO HB3 H 0.810 12.417 9.162 1.00 . A A . 42 PRO HB3 1 1 3 2516 1 1 42 PRO HD2 H 3.982 11.264 7.268 1.00 . A A . 42 PRO HD2 1 1 3 2517 1 1 42 PRO HD3 H 3.292 10.730 8.814 1.00 . A A . 42 PRO HD3 1 1 3 2518 1 1 42 PRO HG2 H 3.076 13.363 7.449 1.00 . A A . 42 PRO HG2 1 1 3 2519 1 1 42 PRO HG3 H 3.066 12.983 9.182 1.00 . A A . 42 PRO HG3 1 1 3 2520 1 1 42 PRO N N 1.937 10.723 7.187 1.00 . A A . 42 PRO N 1 1 3 2521 1 1 42 PRO O O -0.409 12.849 5.454 1.00 . A A . 42 PRO O 1 1 3 2522 1 1 43 THR C C 0.543 12.402 2.835 1.00 . A A . 43 THR C 1 1 3 2523 1 1 43 THR CA C 1.703 12.948 3.664 1.00 . A A . 43 THR CA 1 1 3 2524 1 1 43 THR CB C 3.027 12.714 2.935 1.00 . A A . 43 THR CB 1 1 3 2525 1 1 43 THR CG2 C 3.742 13.998 2.569 1.00 . A A . 43 THR CG2 1 1 3 2526 1 1 43 THR H H 2.561 11.920 5.307 1.00 . A A . 43 THR H 1 1 3 2527 1 1 43 THR HA H 1.563 14.009 3.793 1.00 . A A . 43 THR HA 1 1 3 2528 1 1 43 THR HB H 2.830 12.177 2.021 1.00 . A A . 43 THR HB 1 1 3 2529 1 1 43 THR HG1 H 4.253 12.476 4.445 1.00 . A A . 43 THR HG1 1 1 3 2530 1 1 43 THR HG21 H 3.510 14.260 1.547 1.00 . A A . 43 THR HG21 1 1 3 2531 1 1 43 THR HG22 H 4.808 13.858 2.672 1.00 . A A . 43 THR HG22 1 1 3 2532 1 1 43 THR HG23 H 3.417 14.791 3.226 1.00 . A A . 43 THR HG23 1 1 3 2533 1 1 43 THR N N 1.733 12.339 4.992 1.00 . A A . 43 THR N 1 1 3 2534 1 1 43 THR O O -0.209 13.164 2.227 1.00 . A A . 43 THR O 1 1 3 2535 1 1 43 THR OG1 O 3.913 11.940 3.725 1.00 . A A . 43 THR OG1 1 1 3 2536 1 1 44 TYR C C -1.916 10.290 2.942 1.00 . A A . 44 TYR C 1 1 3 2537 1 1 44 TYR CA C -0.673 10.439 2.072 1.00 . A A . 44 TYR CA 1 1 3 2538 1 1 44 TYR CB C -0.221 9.071 1.559 1.00 . A A . 44 TYR CB 1 1 3 2539 1 1 44 TYR CD1 C 0.400 9.399 -0.866 1.00 . A A . 44 TYR CD1 1 1 3 2540 1 1 44 TYR CD2 C 2.150 8.978 0.696 1.00 . A A . 44 TYR CD2 1 1 3 2541 1 1 44 TYR CE1 C 1.325 9.473 -1.889 1.00 . A A . 44 TYR CE1 1 1 3 2542 1 1 44 TYR CE2 C 3.082 9.052 -0.322 1.00 . A A . 44 TYR CE2 1 1 3 2543 1 1 44 TYR CG C 0.795 9.150 0.442 1.00 . A A . 44 TYR CG 1 1 3 2544 1 1 44 TYR CZ C 2.665 9.299 -1.612 1.00 . A A . 44 TYR CZ 1 1 3 2545 1 1 44 TYR H H 1.026 10.525 3.329 1.00 . A A . 44 TYR H 1 1 3 2546 1 1 44 TYR HA H -0.912 11.069 1.228 1.00 . A A . 44 TYR HA 1 1 3 2547 1 1 44 TYR HB2 H 0.224 8.518 2.373 1.00 . A A . 44 TYR HB2 1 1 3 2548 1 1 44 TYR HB3 H -1.080 8.530 1.190 1.00 . A A . 44 TYR HB3 1 1 3 2549 1 1 44 TYR HD1 H -0.650 9.535 -1.080 1.00 . A A . 44 TYR HD1 1 1 3 2550 1 1 44 TYR HD2 H 2.474 8.783 1.708 1.00 . A A . 44 TYR HD2 1 1 3 2551 1 1 44 TYR HE1 H 0.998 9.668 -2.900 1.00 . A A . 44 TYR HE1 1 1 3 2552 1 1 44 TYR HE2 H 4.131 8.915 -0.104 1.00 . A A . 44 TYR HE2 1 1 3 2553 1 1 44 TYR HH H 3.231 8.961 -3.418 1.00 . A A . 44 TYR HH 1 1 3 2554 1 1 44 TYR N N 0.400 11.081 2.821 1.00 . A A . 44 TYR N 1 1 3 2555 1 1 44 TYR O O -2.881 11.041 2.797 1.00 . A A . 44 TYR O 1 1 3 2556 1 1 44 TYR OH O 3.589 9.373 -2.629 1.00 . A A . 44 TYR OH 1 1 3 2557 1 1 45 GLY C C -4.175 8.402 4.067 1.00 . A A . 45 GLY C 1 1 3 2558 1 1 45 GLY CA C -3.009 9.100 4.742 1.00 . A A . 45 GLY CA 1 1 3 2559 1 1 45 GLY H H -1.083 8.761 3.926 1.00 . A A . 45 GLY H 1 1 3 2560 1 1 45 GLY HA2 H -2.678 8.495 5.574 1.00 . A A . 45 GLY HA2 1 1 3 2561 1 1 45 GLY HA3 H -3.346 10.054 5.120 1.00 . A A . 45 GLY HA3 1 1 3 2562 1 1 45 GLY N N -1.883 9.323 3.852 1.00 . A A . 45 GLY N 1 1 3 2563 1 1 45 GLY O O -4.640 7.364 4.538 1.00 . A A . 45 GLY O 1 1 3 2564 1 1 46 GLN C C -5.387 7.069 1.597 1.00 . A A . 46 GLN C 1 1 3 2565 1 1 46 GLN CA C -5.774 8.397 2.234 1.00 . A A . 46 GLN CA 1 1 3 2566 1 1 46 GLN CB C -6.257 9.369 1.156 1.00 . A A . 46 GLN CB 1 1 3 2567 1 1 46 GLN CD C -5.421 10.992 -0.590 1.00 . A A . 46 GLN CD 1 1 3 2568 1 1 46 GLN CG C -5.220 9.647 0.081 1.00 . A A . 46 GLN CG 1 1 3 2569 1 1 46 GLN H H -4.247 9.796 2.636 1.00 . A A . 46 GLN H 1 1 3 2570 1 1 46 GLN HA H -6.574 8.228 2.937 1.00 . A A . 46 GLN HA 1 1 3 2571 1 1 46 GLN HB2 H -7.134 8.955 0.682 1.00 . A A . 46 GLN HB2 1 1 3 2572 1 1 46 GLN HB3 H -6.520 10.306 1.624 1.00 . A A . 46 GLN HB3 1 1 3 2573 1 1 46 GLN HE21 H -3.646 11.610 0.066 1.00 . A A . 46 GLN HE21 1 1 3 2574 1 1 46 GLN HE22 H -4.544 12.756 -0.880 1.00 . A A . 46 GLN HE22 1 1 3 2575 1 1 46 GLN HG2 H -4.239 9.631 0.532 1.00 . A A . 46 GLN HG2 1 1 3 2576 1 1 46 GLN HG3 H -5.282 8.874 -0.670 1.00 . A A . 46 GLN HG3 1 1 3 2577 1 1 46 GLN N N -4.654 8.971 2.965 1.00 . A A . 46 GLN N 1 1 3 2578 1 1 46 GLN NE2 N -4.438 11.875 -0.454 1.00 . A A . 46 GLN NE2 1 1 3 2579 1 1 46 GLN O O -6.243 6.228 1.321 1.00 . A A . 46 GLN O 1 1 3 2580 1 1 46 GLN OE1 O -6.448 11.235 -1.223 1.00 . A A . 46 GLN OE1 1 1 3 2581 1 1 47 TYR C C -3.573 4.525 1.756 1.00 . A A . 47 TYR C 1 1 3 2582 1 1 47 TYR CA C -3.598 5.666 0.745 1.00 . A A . 47 TYR CA 1 1 3 2583 1 1 47 TYR CB C -2.204 5.888 0.184 1.00 . A A . 47 TYR CB 1 1 3 2584 1 1 47 TYR CD1 C -2.158 5.337 -2.270 1.00 . A A . 47 TYR CD1 1 1 3 2585 1 1 47 TYR CD2 C -1.235 3.753 -0.748 1.00 . A A . 47 TYR CD2 1 1 3 2586 1 1 47 TYR CE1 C -1.845 4.507 -3.330 1.00 . A A . 47 TYR CE1 1 1 3 2587 1 1 47 TYR CE2 C -0.918 2.917 -1.802 1.00 . A A . 47 TYR CE2 1 1 3 2588 1 1 47 TYR CG C -1.859 4.973 -0.965 1.00 . A A . 47 TYR CG 1 1 3 2589 1 1 47 TYR CZ C -1.225 3.299 -3.091 1.00 . A A . 47 TYR CZ 1 1 3 2590 1 1 47 TYR H H -3.459 7.597 1.594 1.00 . A A . 47 TYR H 1 1 3 2591 1 1 47 TYR HA H -4.254 5.407 -0.057 1.00 . A A . 47 TYR HA 1 1 3 2592 1 1 47 TYR HB2 H -2.112 6.909 -0.161 1.00 . A A . 47 TYR HB2 1 1 3 2593 1 1 47 TYR HB3 H -1.495 5.708 0.968 1.00 . A A . 47 TYR HB3 1 1 3 2594 1 1 47 TYR HD1 H -2.643 6.286 -2.451 1.00 . A A . 47 TYR HD1 1 1 3 2595 1 1 47 TYR HD2 H -0.997 3.458 0.264 1.00 . A A . 47 TYR HD2 1 1 3 2596 1 1 47 TYR HE1 H -2.086 4.807 -4.339 1.00 . A A . 47 TYR HE1 1 1 3 2597 1 1 47 TYR HE2 H -0.432 1.971 -1.613 1.00 . A A . 47 TYR HE2 1 1 3 2598 1 1 47 TYR HH H -0.009 2.639 -4.426 1.00 . A A . 47 TYR HH 1 1 3 2599 1 1 47 TYR N N -4.094 6.888 1.358 1.00 . A A . 47 TYR N 1 1 3 2600 1 1 47 TYR O O -4.128 3.453 1.513 1.00 . A A . 47 TYR O 1 1 3 2601 1 1 47 TYR OH O -0.911 2.470 -4.143 1.00 . A A . 47 TYR OH 1 1 3 2602 1 1 48 ILE C C -4.170 3.523 4.608 1.00 . A A . 48 ILE C 1 1 3 2603 1 1 48 ILE CA C -2.821 3.760 3.940 1.00 . A A . 48 ILE CA 1 1 3 2604 1 1 48 ILE CB C -1.791 4.167 5.013 1.00 . A A . 48 ILE CB 1 1 3 2605 1 1 48 ILE CD1 C 0.197 3.309 3.675 1.00 . A A . 48 ILE CD1 1 1 3 2606 1 1 48 ILE CG1 C -0.446 4.494 4.362 1.00 . A A . 48 ILE CG1 1 1 3 2607 1 1 48 ILE CG2 C -1.629 3.060 6.048 1.00 . A A . 48 ILE CG2 1 1 3 2608 1 1 48 ILE H H -2.499 5.635 3.024 1.00 . A A . 48 ILE H 1 1 3 2609 1 1 48 ILE HA H -2.489 2.840 3.485 1.00 . A A . 48 ILE HA 1 1 3 2610 1 1 48 ILE HB H -2.161 5.046 5.519 1.00 . A A . 48 ILE HB 1 1 3 2611 1 1 48 ILE HD11 H 1.116 3.622 3.202 1.00 . A A . 48 ILE HD11 1 1 3 2612 1 1 48 ILE HD12 H -0.477 2.917 2.927 1.00 . A A . 48 ILE HD12 1 1 3 2613 1 1 48 ILE HD13 H 0.411 2.541 4.404 1.00 . A A . 48 ILE HD13 1 1 3 2614 1 1 48 ILE HG12 H -0.590 5.267 3.622 1.00 . A A . 48 ILE HG12 1 1 3 2615 1 1 48 ILE HG13 H 0.236 4.850 5.120 1.00 . A A . 48 ILE HG13 1 1 3 2616 1 1 48 ILE HG21 H -2.453 2.367 5.966 1.00 . A A . 48 ILE HG21 1 1 3 2617 1 1 48 ILE HG22 H -1.620 3.492 7.038 1.00 . A A . 48 ILE HG22 1 1 3 2618 1 1 48 ILE HG23 H -0.701 2.538 5.875 1.00 . A A . 48 ILE HG23 1 1 3 2619 1 1 48 ILE N N -2.922 4.764 2.891 1.00 . A A . 48 ILE N 1 1 3 2620 1 1 48 ILE O O -4.618 2.383 4.735 1.00 . A A . 48 ILE O 1 1 3 2621 1 1 49 ARG C C -7.252 4.352 4.691 1.00 . A A . 49 ARG C 1 1 3 2622 1 1 49 ARG CA C -6.116 4.506 5.697 1.00 . A A . 49 ARG CA 1 1 3 2623 1 1 49 ARG CB C -6.359 5.732 6.580 1.00 . A A . 49 ARG CB 1 1 3 2624 1 1 49 ARG CD C -5.490 7.275 8.363 1.00 . A A . 49 ARG CD 1 1 3 2625 1 1 49 ARG CG C -5.232 6.010 7.561 1.00 . A A . 49 ARG CG 1 1 3 2626 1 1 49 ARG CZ C -5.053 9.687 8.101 1.00 . A A . 49 ARG CZ 1 1 3 2627 1 1 49 ARG H H -4.409 5.486 4.911 1.00 . A A . 49 ARG H 1 1 3 2628 1 1 49 ARG HA H -6.095 3.627 6.317 1.00 . A A . 49 ARG HA 1 1 3 2629 1 1 49 ARG HB2 H -6.479 6.599 5.948 1.00 . A A . 49 ARG HB2 1 1 3 2630 1 1 49 ARG HB3 H -7.268 5.580 7.144 1.00 . A A . 49 ARG HB3 1 1 3 2631 1 1 49 ARG HD2 H -6.516 7.271 8.698 1.00 . A A . 49 ARG HD2 1 1 3 2632 1 1 49 ARG HD3 H -4.832 7.283 9.219 1.00 . A A . 49 ARG HD3 1 1 3 2633 1 1 49 ARG HE H -5.248 8.389 6.597 1.00 . A A . 49 ARG HE 1 1 3 2634 1 1 49 ARG HG2 H -5.145 5.176 8.242 1.00 . A A . 49 ARG HG2 1 1 3 2635 1 1 49 ARG HG3 H -4.309 6.125 7.010 1.00 . A A . 49 ARG HG3 1 1 3 2636 1 1 49 ARG HH11 H -5.211 9.068 10.020 1.00 . A A . 49 ARG HH11 1 1 3 2637 1 1 49 ARG HH12 H -4.904 10.759 9.808 1.00 . A A . 49 ARG HH12 1 1 3 2638 1 1 49 ARG HH21 H -4.844 10.613 6.317 1.00 . A A . 49 ARG HH21 1 1 3 2639 1 1 49 ARG HH22 H -4.696 11.636 7.706 1.00 . A A . 49 ARG HH22 1 1 3 2640 1 1 49 ARG N N -4.816 4.604 5.038 1.00 . A A . 49 ARG N 1 1 3 2641 1 1 49 ARG NE N -5.255 8.482 7.573 1.00 . A A . 49 ARG NE 1 1 3 2642 1 1 49 ARG NH1 N -5.056 9.851 9.418 1.00 . A A . 49 ARG NH1 1 1 3 2643 1 1 49 ARG NH2 N -4.847 10.731 7.310 1.00 . A A . 49 ARG NH2 1 1 3 2644 1 1 49 ARG O O -8.376 4.791 4.937 1.00 . A A . 49 ARG O 1 1 3 2645 1 1 50 SER C C -8.823 2.287 2.877 1.00 . A A . 50 SER C 1 1 3 2646 1 1 50 SER CA C -7.950 3.490 2.531 1.00 . A A . 50 SER CA 1 1 3 2647 1 1 50 SER CB C -7.263 3.272 1.193 1.00 . A A . 50 SER CB 1 1 3 2648 1 1 50 SER H H -6.052 3.380 3.436 1.00 . A A . 50 SER H 1 1 3 2649 1 1 50 SER HA H -8.569 4.360 2.462 1.00 . A A . 50 SER HA 1 1 3 2650 1 1 50 SER HB2 H -6.311 3.786 1.188 1.00 . A A . 50 SER HB2 1 1 3 2651 1 1 50 SER HB3 H -7.108 2.221 1.057 1.00 . A A . 50 SER HB3 1 1 3 2652 1 1 50 SER HG H -8.161 3.074 -0.537 1.00 . A A . 50 SER HG 1 1 3 2653 1 1 50 SER N N -6.957 3.717 3.567 1.00 . A A . 50 SER N 1 1 3 2654 1 1 50 SER O O -8.359 1.341 3.514 1.00 . A A . 50 SER O 1 1 3 2655 1 1 50 SER OG O -8.052 3.763 0.123 1.00 . A A . 50 SER OG 1 1 3 2656 1 1 51 PRO C C -10.629 -0.077 1.991 1.00 . A A . 51 PRO C 1 1 3 2657 1 1 51 PRO CA C -11.023 1.195 2.734 1.00 . A A . 51 PRO CA 1 1 3 2658 1 1 51 PRO CB C -12.370 1.717 2.228 1.00 . A A . 51 PRO CB 1 1 3 2659 1 1 51 PRO CD C -10.741 3.381 1.690 1.00 . A A . 51 PRO CD 1 1 3 2660 1 1 51 PRO CG C -12.023 2.755 1.217 1.00 . A A . 51 PRO CG 1 1 3 2661 1 1 51 PRO HA H -11.087 0.987 3.792 1.00 . A A . 51 PRO HA 1 1 3 2662 1 1 51 PRO HB2 H -12.930 0.906 1.786 1.00 . A A . 51 PRO HB2 1 1 3 2663 1 1 51 PRO HB3 H -12.927 2.140 3.050 1.00 . A A . 51 PRO HB3 1 1 3 2664 1 1 51 PRO HD2 H -10.130 3.671 0.848 1.00 . A A . 51 PRO HD2 1 1 3 2665 1 1 51 PRO HD3 H -10.946 4.233 2.321 1.00 . A A . 51 PRO HD3 1 1 3 2666 1 1 51 PRO HG2 H -11.881 2.293 0.251 1.00 . A A . 51 PRO HG2 1 1 3 2667 1 1 51 PRO HG3 H -12.806 3.496 1.168 1.00 . A A . 51 PRO HG3 1 1 3 2668 1 1 51 PRO N N -10.099 2.300 2.460 1.00 . A A . 51 PRO N 1 1 3 2669 1 1 51 PRO O O -10.642 -1.170 2.558 1.00 . A A . 51 PRO O 1 1 3 2670 1 1 52 HIS C C -8.428 -1.453 0.148 1.00 . A A . 52 HIS C 1 1 3 2671 1 1 52 HIS CA C -9.881 -1.057 -0.111 1.00 . A A . 52 HIS CA 1 1 3 2672 1 1 52 HIS CB C -10.072 -0.726 -1.594 1.00 . A A . 52 HIS CB 1 1 3 2673 1 1 52 HIS CD2 C -11.304 1.459 -2.260 1.00 . A A . 52 HIS CD2 1 1 3 2674 1 1 52 HIS CE1 C -13.365 0.744 -2.043 1.00 . A A . 52 HIS CE1 1 1 3 2675 1 1 52 HIS CG C -11.246 0.164 -1.868 1.00 . A A . 52 HIS CG 1 1 3 2676 1 1 52 HIS H H -10.291 0.974 0.326 1.00 . A A . 52 HIS H 1 1 3 2677 1 1 52 HIS HA H -10.516 -1.891 0.145 1.00 . A A . 52 HIS HA 1 1 3 2678 1 1 52 HIS HB2 H -9.188 -0.228 -1.960 1.00 . A A . 52 HIS HB2 1 1 3 2679 1 1 52 HIS HB3 H -10.215 -1.645 -2.144 1.00 . A A . 52 HIS HB3 1 1 3 2680 1 1 52 HIS HD1 H -12.846 -1.150 -1.468 1.00 . A A . 52 HIS HD1 1 1 3 2681 1 1 52 HIS HD2 H -10.461 2.107 -2.456 1.00 . A A . 52 HIS HD2 1 1 3 2682 1 1 52 HIS HE1 H -14.444 0.709 -2.028 1.00 . A A . 52 HIS HE1 1 1 3 2683 1 1 52 HIS HE2 H -12.979 2.642 -2.708 1.00 . A A . 52 HIS HE2 1 1 3 2684 1 1 52 HIS N N -10.280 0.076 0.719 1.00 . A A . 52 HIS N 1 1 3 2685 1 1 52 HIS ND1 N -12.554 -0.254 -1.740 1.00 . A A . 52 HIS ND1 1 1 3 2686 1 1 52 HIS NE2 N -12.631 1.794 -2.361 1.00 . A A . 52 HIS NE2 1 1 3 2687 1 1 52 HIS O O -8.007 -2.556 -0.200 1.00 . A A . 52 HIS O 1 1 3 2688 1 1 53 ALA C C -6.093 -2.076 1.867 1.00 . A A . 53 ALA C 1 1 3 2689 1 1 53 ALA CA C -6.261 -0.805 1.050 1.00 . A A . 53 ALA CA 1 1 3 2690 1 1 53 ALA CB C -5.648 0.378 1.782 1.00 . A A . 53 ALA CB 1 1 3 2691 1 1 53 ALA H H -8.049 0.312 1.005 1.00 . A A . 53 ALA H 1 1 3 2692 1 1 53 ALA HA H -5.750 -0.923 0.118 1.00 . A A . 53 ALA HA 1 1 3 2693 1 1 53 ALA HB1 H -6.367 0.783 2.479 1.00 . A A . 53 ALA HB1 1 1 3 2694 1 1 53 ALA HB2 H -5.370 1.139 1.068 1.00 . A A . 53 ALA HB2 1 1 3 2695 1 1 53 ALA HB3 H -4.770 0.052 2.320 1.00 . A A . 53 ALA HB3 1 1 3 2696 1 1 53 ALA N N -7.664 -0.548 0.755 1.00 . A A . 53 ALA N 1 1 3 2697 1 1 53 ALA O O -5.297 -2.952 1.528 1.00 . A A . 53 ALA O 1 1 3 2698 1 1 54 ARG C C -7.050 -4.603 3.071 1.00 . A A . 54 ARG C 1 1 3 2699 1 1 54 ARG CA C -6.804 -3.312 3.835 1.00 . A A . 54 ARG CA 1 1 3 2700 1 1 54 ARG CB C -7.836 -3.160 4.954 1.00 . A A . 54 ARG CB 1 1 3 2701 1 1 54 ARG CD C -6.738 -3.535 7.180 1.00 . A A . 54 ARG CD 1 1 3 2702 1 1 54 ARG CG C -7.282 -2.503 6.207 1.00 . A A . 54 ARG CG 1 1 3 2703 1 1 54 ARG CZ C -5.090 -5.366 7.064 1.00 . A A . 54 ARG CZ 1 1 3 2704 1 1 54 ARG H H -7.454 -1.424 3.151 1.00 . A A . 54 ARG H 1 1 3 2705 1 1 54 ARG HA H -5.826 -3.349 4.264 1.00 . A A . 54 ARG HA 1 1 3 2706 1 1 54 ARG HB2 H -8.658 -2.560 4.592 1.00 . A A . 54 ARG HB2 1 1 3 2707 1 1 54 ARG HB3 H -8.207 -4.139 5.222 1.00 . A A . 54 ARG HB3 1 1 3 2708 1 1 54 ARG HD2 H -6.526 -3.048 8.120 1.00 . A A . 54 ARG HD2 1 1 3 2709 1 1 54 ARG HD3 H -7.488 -4.297 7.330 1.00 . A A . 54 ARG HD3 1 1 3 2710 1 1 54 ARG HE H -4.983 -3.662 6.031 1.00 . A A . 54 ARG HE 1 1 3 2711 1 1 54 ARG HG2 H -6.485 -1.831 5.927 1.00 . A A . 54 ARG HG2 1 1 3 2712 1 1 54 ARG HG3 H -8.073 -1.947 6.690 1.00 . A A . 54 ARG HG3 1 1 3 2713 1 1 54 ARG HH11 H -6.622 -5.706 8.341 1.00 . A A . 54 ARG HH11 1 1 3 2714 1 1 54 ARG HH12 H -5.452 -6.977 8.231 1.00 . A A . 54 ARG HH12 1 1 3 2715 1 1 54 ARG HH21 H -3.446 -5.334 5.889 1.00 . A A . 54 ARG HH21 1 1 3 2716 1 1 54 ARG HH22 H -3.650 -6.766 6.841 1.00 . A A . 54 ARG HH22 1 1 3 2717 1 1 54 ARG N N -6.850 -2.160 2.946 1.00 . A A . 54 ARG N 1 1 3 2718 1 1 54 ARG NE N -5.515 -4.163 6.684 1.00 . A A . 54 ARG NE 1 1 3 2719 1 1 54 ARG NH1 N -5.778 -6.074 7.951 1.00 . A A . 54 ARG NH1 1 1 3 2720 1 1 54 ARG NH2 N -3.970 -5.863 6.556 1.00 . A A . 54 ARG NH2 1 1 3 2721 1 1 54 ARG O O -6.319 -5.582 3.224 1.00 . A A . 54 ARG O 1 1 3 2722 1 1 55 ASP C C -7.353 -6.044 0.421 1.00 . A A . 55 ASP C 1 1 3 2723 1 1 55 ASP CA C -8.435 -5.753 1.446 1.00 . A A . 55 ASP CA 1 1 3 2724 1 1 55 ASP CB C -9.771 -5.539 0.750 1.00 . A A . 55 ASP CB 1 1 3 2725 1 1 55 ASP CG C -10.473 -6.844 0.429 1.00 . A A . 55 ASP CG 1 1 3 2726 1 1 55 ASP H H -8.615 -3.777 2.175 1.00 . A A . 55 ASP H 1 1 3 2727 1 1 55 ASP HA H -8.518 -6.589 2.099 1.00 . A A . 55 ASP HA 1 1 3 2728 1 1 55 ASP HB2 H -10.415 -4.948 1.388 1.00 . A A . 55 ASP HB2 1 1 3 2729 1 1 55 ASP HB3 H -9.593 -5.013 -0.168 1.00 . A A . 55 ASP HB3 1 1 3 2730 1 1 55 ASP N N -8.082 -4.591 2.247 1.00 . A A . 55 ASP N 1 1 3 2731 1 1 55 ASP O O -6.985 -7.196 0.193 1.00 . A A . 55 ASP O 1 1 3 2732 1 1 55 ASP OD1 O -10.191 -7.421 -0.642 1.00 . A A . 55 ASP OD1 1 1 3 2733 1 1 55 ASP OD2 O -11.304 -7.288 1.249 1.00 . A A . 55 ASP OD2 1 1 3 2734 1 1 56 THR C C -4.577 -5.813 -0.603 1.00 . A A . 56 THR C 1 1 3 2735 1 1 56 THR CA C -5.794 -5.102 -1.184 1.00 . A A . 56 THR CA 1 1 3 2736 1 1 56 THR CB C -5.400 -3.728 -1.704 1.00 . A A . 56 THR CB 1 1 3 2737 1 1 56 THR CG2 C -4.307 -3.768 -2.750 1.00 . A A . 56 THR CG2 1 1 3 2738 1 1 56 THR H H -7.180 -4.102 0.049 1.00 . A A . 56 THR H 1 1 3 2739 1 1 56 THR HA H -6.180 -5.675 -1.994 1.00 . A A . 56 THR HA 1 1 3 2740 1 1 56 THR HB H -5.045 -3.149 -0.879 1.00 . A A . 56 THR HB 1 1 3 2741 1 1 56 THR HG1 H -7.207 -2.980 -1.610 1.00 . A A . 56 THR HG1 1 1 3 2742 1 1 56 THR HG21 H -3.544 -4.470 -2.447 1.00 . A A . 56 THR HG21 1 1 3 2743 1 1 56 THR HG22 H -3.872 -2.785 -2.854 1.00 . A A . 56 THR HG22 1 1 3 2744 1 1 56 THR HG23 H -4.726 -4.079 -3.696 1.00 . A A . 56 THR HG23 1 1 3 2745 1 1 56 THR N N -6.843 -4.984 -0.186 1.00 . A A . 56 THR N 1 1 3 2746 1 1 56 THR O O -3.919 -6.599 -1.284 1.00 . A A . 56 THR O 1 1 3 2747 1 1 56 THR OG1 O -6.516 -3.065 -2.270 1.00 . A A . 56 THR OG1 1 1 3 2748 1 1 57 LEU C C -3.320 -7.649 1.397 1.00 . A A . 57 LEU C 1 1 3 2749 1 1 57 LEU CA C -3.162 -6.140 1.345 1.00 . A A . 57 LEU CA 1 1 3 2750 1 1 57 LEU CB C -3.030 -5.569 2.753 1.00 . A A . 57 LEU CB 1 1 3 2751 1 1 57 LEU CD1 C -2.407 -3.211 3.337 1.00 . A A . 57 LEU CD1 1 1 3 2752 1 1 57 LEU CD2 C -0.895 -5.098 3.976 1.00 . A A . 57 LEU CD2 1 1 3 2753 1 1 57 LEU CG C -1.881 -4.582 2.940 1.00 . A A . 57 LEU CG 1 1 3 2754 1 1 57 LEU H H -4.849 -4.902 1.153 1.00 . A A . 57 LEU H 1 1 3 2755 1 1 57 LEU HA H -2.286 -5.904 0.792 1.00 . A A . 57 LEU HA 1 1 3 2756 1 1 57 LEU HB2 H -3.951 -5.065 2.991 1.00 . A A . 57 LEU HB2 1 1 3 2757 1 1 57 LEU HB3 H -2.889 -6.388 3.444 1.00 . A A . 57 LEU HB3 1 1 3 2758 1 1 57 LEU HD11 H -2.647 -3.209 4.390 1.00 . A A . 57 LEU HD11 1 1 3 2759 1 1 57 LEU HD12 H -3.294 -2.985 2.765 1.00 . A A . 57 LEU HD12 1 1 3 2760 1 1 57 LEU HD13 H -1.652 -2.464 3.139 1.00 . A A . 57 LEU HD13 1 1 3 2761 1 1 57 LEU HD21 H 0.113 -4.890 3.649 1.00 . A A . 57 LEU HD21 1 1 3 2762 1 1 57 LEU HD22 H -1.022 -6.163 4.094 1.00 . A A . 57 LEU HD22 1 1 3 2763 1 1 57 LEU HD23 H -1.076 -4.607 4.920 1.00 . A A . 57 LEU HD23 1 1 3 2764 1 1 57 LEU HG H -1.360 -4.479 2.004 1.00 . A A . 57 LEU HG 1 1 3 2765 1 1 57 LEU N N -4.289 -5.532 0.664 1.00 . A A . 57 LEU N 1 1 3 2766 1 1 57 LEU O O -2.487 -8.396 0.884 1.00 . A A . 57 LEU O 1 1 3 2767 1 1 58 THR C C -4.813 -10.129 0.757 1.00 . A A . 58 THR C 1 1 3 2768 1 1 58 THR CA C -4.697 -9.502 2.136 1.00 . A A . 58 THR CA 1 1 3 2769 1 1 58 THR CB C -5.984 -9.721 2.932 1.00 . A A . 58 THR CB 1 1 3 2770 1 1 58 THR CG2 C -6.118 -11.126 3.478 1.00 . A A . 58 THR CG2 1 1 3 2771 1 1 58 THR H H -5.021 -7.434 2.391 1.00 . A A . 58 THR H 1 1 3 2772 1 1 58 THR HA H -3.873 -9.960 2.655 1.00 . A A . 58 THR HA 1 1 3 2773 1 1 58 THR HB H -6.830 -9.536 2.285 1.00 . A A . 58 THR HB 1 1 3 2774 1 1 58 THR HG1 H -5.193 -8.747 4.438 1.00 . A A . 58 THR HG1 1 1 3 2775 1 1 58 THR HG21 H -5.248 -11.704 3.203 1.00 . A A . 58 THR HG21 1 1 3 2776 1 1 58 THR HG22 H -7.002 -11.590 3.066 1.00 . A A . 58 THR HG22 1 1 3 2777 1 1 58 THR HG23 H -6.199 -11.088 4.554 1.00 . A A . 58 THR HG23 1 1 3 2778 1 1 58 THR N N -4.404 -8.085 2.015 1.00 . A A . 58 THR N 1 1 3 2779 1 1 58 THR O O -4.260 -11.199 0.501 1.00 . A A . 58 THR O 1 1 3 2780 1 1 58 THR OG1 O -6.057 -8.824 4.027 1.00 . A A . 58 THR OG1 1 1 3 2781 1 1 59 SER C C -4.299 -10.220 -2.087 1.00 . A A . 59 SER C 1 1 3 2782 1 1 59 SER CA C -5.665 -9.911 -1.503 1.00 . A A . 59 SER CA 1 1 3 2783 1 1 59 SER CB C -6.357 -8.854 -2.338 1.00 . A A . 59 SER CB 1 1 3 2784 1 1 59 SER H H -5.907 -8.584 0.110 1.00 . A A . 59 SER H 1 1 3 2785 1 1 59 SER HA H -6.258 -10.796 -1.490 1.00 . A A . 59 SER HA 1 1 3 2786 1 1 59 SER HB2 H -7.067 -8.324 -1.723 1.00 . A A . 59 SER HB2 1 1 3 2787 1 1 59 SER HB3 H -5.616 -8.171 -2.700 1.00 . A A . 59 SER HB3 1 1 3 2788 1 1 59 SER HG H -6.405 -9.603 -4.147 1.00 . A A . 59 SER HG 1 1 3 2789 1 1 59 SER N N -5.510 -9.440 -0.141 1.00 . A A . 59 SER N 1 1 3 2790 1 1 59 SER O O -4.143 -11.100 -2.935 1.00 . A A . 59 SER O 1 1 3 2791 1 1 59 SER OG O -7.033 -9.428 -3.443 1.00 . A A . 59 SER OG 1 1 3 2792 1 1 60 CYS C C -1.356 -10.916 -1.413 1.00 . A A . 60 CYS C 1 1 3 2793 1 1 60 CYS CA C -1.940 -9.645 -2.021 1.00 . A A . 60 CYS CA 1 1 3 2794 1 1 60 CYS CB C -1.143 -8.424 -1.572 1.00 . A A . 60 CYS CB 1 1 3 2795 1 1 60 CYS H H -3.510 -8.811 -0.919 1.00 . A A . 60 CYS H 1 1 3 2796 1 1 60 CYS HA H -1.919 -9.716 -3.097 1.00 . A A . 60 CYS HA 1 1 3 2797 1 1 60 CYS HB2 H -1.834 -7.649 -1.275 1.00 . A A . 60 CYS HB2 1 1 3 2798 1 1 60 CYS HB3 H -0.545 -8.697 -0.721 1.00 . A A . 60 CYS HB3 1 1 3 2799 1 1 60 CYS N N -3.310 -9.484 -1.600 1.00 . A A . 60 CYS N 1 1 3 2800 1 1 60 CYS O O -0.614 -11.648 -2.067 1.00 . A A . 60 CYS O 1 1 3 2801 1 1 60 CYS SG S -0.044 -7.717 -2.844 1.00 . A A . 60 CYS SG 1 1 3 2802 1 1 61 GLY C C 0.232 -12.286 0.910 1.00 . A A . 61 GLY C 1 1 3 2803 1 1 61 GLY CA C -1.232 -12.365 0.523 1.00 . A A . 61 GLY CA 1 1 3 2804 1 1 61 GLY H H -2.319 -10.559 0.315 1.00 . A A . 61 GLY H 1 1 3 2805 1 1 61 GLY HA2 H -1.818 -12.515 1.417 1.00 . A A . 61 GLY HA2 1 1 3 2806 1 1 61 GLY HA3 H -1.373 -13.215 -0.129 1.00 . A A . 61 GLY HA3 1 1 3 2807 1 1 61 GLY N N -1.713 -11.177 -0.155 1.00 . A A . 61 GLY N 1 1 3 2808 1 1 61 GLY O O 1.020 -13.160 0.549 1.00 . A A . 61 GLY O 1 1 3 2809 1 1 62 LEU C C 2.043 -10.730 3.587 1.00 . A A . 62 LEU C 1 1 3 2810 1 1 62 LEU CA C 1.981 -11.091 2.102 1.00 . A A . 62 LEU CA 1 1 3 2811 1 1 62 LEU CB C 2.729 -10.044 1.261 1.00 . A A . 62 LEU CB 1 1 3 2812 1 1 62 LEU CD1 C 2.219 -7.604 0.922 1.00 . A A . 62 LEU CD1 1 1 3 2813 1 1 62 LEU CD2 C 2.031 -9.189 -1.002 1.00 . A A . 62 LEU CD2 1 1 3 2814 1 1 62 LEU CG C 1.860 -9.024 0.504 1.00 . A A . 62 LEU CG 1 1 3 2815 1 1 62 LEU H H -0.072 -10.589 1.929 1.00 . A A . 62 LEU H 1 1 3 2816 1 1 62 LEU HA H 2.468 -12.047 1.970 1.00 . A A . 62 LEU HA 1 1 3 2817 1 1 62 LEU HB2 H 3.388 -9.499 1.921 1.00 . A A . 62 LEU HB2 1 1 3 2818 1 1 62 LEU HB3 H 3.336 -10.571 0.541 1.00 . A A . 62 LEU HB3 1 1 3 2819 1 1 62 LEU HD11 H 3.294 -7.515 1.015 1.00 . A A . 62 LEU HD11 1 1 3 2820 1 1 62 LEU HD12 H 1.755 -7.378 1.870 1.00 . A A . 62 LEU HD12 1 1 3 2821 1 1 62 LEU HD13 H 1.866 -6.910 0.175 1.00 . A A . 62 LEU HD13 1 1 3 2822 1 1 62 LEU HD21 H 2.176 -8.219 -1.456 1.00 . A A . 62 LEU HD21 1 1 3 2823 1 1 62 LEU HD22 H 1.147 -9.651 -1.415 1.00 . A A . 62 LEU HD22 1 1 3 2824 1 1 62 LEU HD23 H 2.890 -9.811 -1.205 1.00 . A A . 62 LEU HD23 1 1 3 2825 1 1 62 LEU HG H 0.817 -9.187 0.741 1.00 . A A . 62 LEU HG 1 1 3 2826 1 1 62 LEU N N 0.599 -11.250 1.659 1.00 . A A . 62 LEU N 1 1 3 2827 1 1 62 LEU O O 2.066 -11.614 4.443 1.00 . A A . 62 LEU O 1 1 3 2828 1 1 63 ALA C C 1.454 -7.627 5.441 1.00 . A A . 63 ALA C 1 1 3 2829 1 1 63 ALA CA C 2.133 -8.981 5.271 1.00 . A A . 63 ALA CA 1 1 3 2830 1 1 63 ALA CB C 3.578 -8.914 5.742 1.00 . A A . 63 ALA CB 1 1 3 2831 1 1 63 ALA H H 2.050 -8.774 3.179 1.00 . A A . 63 ALA H 1 1 3 2832 1 1 63 ALA HA H 1.617 -9.706 5.874 1.00 . A A . 63 ALA HA 1 1 3 2833 1 1 63 ALA HB1 H 3.646 -8.264 6.602 1.00 . A A . 63 ALA HB1 1 1 3 2834 1 1 63 ALA HB2 H 4.198 -8.526 4.948 1.00 . A A . 63 ALA HB2 1 1 3 2835 1 1 63 ALA HB3 H 3.915 -9.904 6.012 1.00 . A A . 63 ALA HB3 1 1 3 2836 1 1 63 ALA N N 2.072 -9.435 3.892 1.00 . A A . 63 ALA N 1 1 3 2837 1 1 63 ALA O O 0.963 -7.041 4.476 1.00 . A A . 63 ALA O 1 1 3 2838 1 1 64 VAL C C 1.896 -4.820 7.344 1.00 . A A . 64 VAL C 1 1 3 2839 1 1 64 VAL CA C 0.824 -5.857 6.986 1.00 . A A . 64 VAL CA 1 1 3 2840 1 1 64 VAL CB C -0.206 -6.005 8.135 1.00 . A A . 64 VAL CB 1 1 3 2841 1 1 64 VAL CG1 C 0.372 -5.567 9.473 1.00 . A A . 64 VAL CG1 1 1 3 2842 1 1 64 VAL CG2 C -1.479 -5.232 7.820 1.00 . A A . 64 VAL CG2 1 1 3 2843 1 1 64 VAL H H 1.841 -7.647 7.395 1.00 . A A . 64 VAL H 1 1 3 2844 1 1 64 VAL HA H 0.304 -5.528 6.106 1.00 . A A . 64 VAL HA 1 1 3 2845 1 1 64 VAL HB H -0.466 -7.050 8.215 1.00 . A A . 64 VAL HB 1 1 3 2846 1 1 64 VAL HG11 H 1.409 -5.863 9.532 1.00 . A A . 64 VAL HG11 1 1 3 2847 1 1 64 VAL HG12 H -0.182 -6.034 10.274 1.00 . A A . 64 VAL HG12 1 1 3 2848 1 1 64 VAL HG13 H 0.297 -4.495 9.560 1.00 . A A . 64 VAL HG13 1 1 3 2849 1 1 64 VAL HG21 H -1.581 -5.125 6.751 1.00 . A A . 64 VAL HG21 1 1 3 2850 1 1 64 VAL HG22 H -1.429 -4.254 8.277 1.00 . A A . 64 VAL HG22 1 1 3 2851 1 1 64 VAL HG23 H -2.331 -5.768 8.211 1.00 . A A . 64 VAL HG23 1 1 3 2852 1 1 64 VAL N N 1.435 -7.136 6.675 1.00 . A A . 64 VAL N 1 1 3 2853 1 1 64 VAL O O 2.940 -5.167 7.896 1.00 . A A . 64 VAL O 1 1 3 2854 1 1 65 PRO C C 2.570 -1.923 8.715 1.00 . A A . 65 PRO C 1 1 3 2855 1 1 65 PRO CA C 2.626 -2.452 7.288 1.00 . A A . 65 PRO CA 1 1 3 2856 1 1 65 PRO CB C 2.170 -1.373 6.318 1.00 . A A . 65 PRO CB 1 1 3 2857 1 1 65 PRO CD C 0.462 -3.020 6.330 1.00 . A A . 65 PRO CD 1 1 3 2858 1 1 65 PRO CG C 0.694 -1.535 6.327 1.00 . A A . 65 PRO CG 1 1 3 2859 1 1 65 PRO HA H 3.630 -2.753 7.062 1.00 . A A . 65 PRO HA 1 1 3 2860 1 1 65 PRO HB2 H 2.474 -0.400 6.679 1.00 . A A . 65 PRO HB2 1 1 3 2861 1 1 65 PRO HB3 H 2.585 -1.556 5.339 1.00 . A A . 65 PRO HB3 1 1 3 2862 1 1 65 PRO HD2 H -0.434 -3.260 6.881 1.00 . A A . 65 PRO HD2 1 1 3 2863 1 1 65 PRO HD3 H 0.403 -3.396 5.320 1.00 . A A . 65 PRO HD3 1 1 3 2864 1 1 65 PRO HG2 H 0.287 -1.095 7.226 1.00 . A A . 65 PRO HG2 1 1 3 2865 1 1 65 PRO HG3 H 0.262 -1.084 5.448 1.00 . A A . 65 PRO HG3 1 1 3 2866 1 1 65 PRO N N 1.664 -3.534 7.017 1.00 . A A . 65 PRO N 1 1 3 2867 1 1 65 PRO O O 2.824 -0.744 8.964 1.00 . A A . 65 PRO O 1 1 3 2868 1 1 66 HIS C C 3.403 -2.925 11.806 1.00 . A A . 66 HIS C 1 1 3 2869 1 1 66 HIS CA C 2.172 -2.433 11.052 1.00 . A A . 66 HIS CA 1 1 3 2870 1 1 66 HIS CB C 0.907 -3.008 11.692 1.00 . A A . 66 HIS CB 1 1 3 2871 1 1 66 HIS CD2 C -1.048 -1.375 12.165 1.00 . A A . 66 HIS CD2 1 1 3 2872 1 1 66 HIS CE1 C -2.017 -1.471 10.205 1.00 . A A . 66 HIS CE1 1 1 3 2873 1 1 66 HIS CG C -0.326 -2.221 11.393 1.00 . A A . 66 HIS CG 1 1 3 2874 1 1 66 HIS H H 2.070 -3.715 9.368 1.00 . A A . 66 HIS H 1 1 3 2875 1 1 66 HIS HA H 2.136 -1.356 11.111 1.00 . A A . 66 HIS HA 1 1 3 2876 1 1 66 HIS HB2 H 0.751 -4.011 11.333 1.00 . A A . 66 HIS HB2 1 1 3 2877 1 1 66 HIS HB3 H 1.033 -3.032 12.764 1.00 . A A . 66 HIS HB3 1 1 3 2878 1 1 66 HIS HD1 H -0.676 -2.783 9.395 1.00 . A A . 66 HIS HD1 1 1 3 2879 1 1 66 HIS HD2 H -0.840 -1.107 13.189 1.00 . A A . 66 HIS HD2 1 1 3 2880 1 1 66 HIS HE1 H -2.702 -1.308 9.394 1.00 . A A . 66 HIS HE1 1 1 3 2881 1 1 66 HIS HE2 H -2.749 -0.249 11.675 1.00 . A A . 66 HIS HE2 1 1 3 2882 1 1 66 HIS N N 2.250 -2.800 9.640 1.00 . A A . 66 HIS N 1 1 3 2883 1 1 66 HIS ND1 N -0.960 -2.259 10.172 1.00 . A A . 66 HIS ND1 1 1 3 2884 1 1 66 HIS NE2 N -2.093 -0.924 11.402 1.00 . A A . 66 HIS NE2 1 1 3 2885 1 1 66 HIS O O 3.326 -3.266 12.986 1.00 . A A . 66 HIS O 1 1 3 2886 1 1 67 CYS C C 6.265 -2.427 12.781 1.00 . A A . 67 CYS C 1 1 3 2887 1 1 67 CYS CA C 5.787 -3.409 11.716 1.00 . A A . 67 CYS CA 1 1 3 2888 1 1 67 CYS CB C 6.863 -3.577 10.641 1.00 . A A . 67 CYS CB 1 1 3 2889 1 1 67 CYS H H 4.534 -2.674 10.176 1.00 . A A . 67 CYS H 1 1 3 2890 1 1 67 CYS HA H 5.605 -4.366 12.182 1.00 . A A . 67 CYS HA 1 1 3 2891 1 1 67 CYS HB2 H 7.808 -3.791 11.118 1.00 . A A . 67 CYS HB2 1 1 3 2892 1 1 67 CYS HB3 H 6.594 -4.403 10.000 1.00 . A A . 67 CYS HB3 1 1 3 2893 1 1 67 CYS N N 4.538 -2.958 11.114 1.00 . A A . 67 CYS N 1 1 3 2894 1 1 67 CYS O O 5.553 -1.432 13.029 1.00 . A A . 67 CYS O 1 1 3 2895 1 1 67 CYS OXT O 7.348 -2.662 13.358 1.00 . A A . 67 CYS OXT 1 1 3 2896 1 1 67 CYS SG S 7.096 -2.109 9.586 1.00 . A A . 67 CYS SG 1 1 3 2897 2 2 1 PGM C1 C -8.721 0.489 17.619 1.00 . B A . 68 PGM C1 1 1 3 2898 2 2 1 PGM C2 C -8.649 0.623 16.162 1.00 . B A . 68 PGM C2 1 1 3 2899 2 2 1 PGM C3 C -7.418 1.291 15.733 1.00 . B A . 68 PGM C3 1 1 3 2900 2 2 1 PGM C7 C -6.186 0.597 10.722 1.00 . B A . 68 PGM C7 1 1 3 2901 2 2 1 PGM C8 C -6.832 -0.278 9.741 1.00 . B A . 68 PGM C8 1 1 3 2902 2 2 1 PGM C9 C -6.470 0.066 8.390 1.00 . B A . 68 PGM C9 1 1 3 2903 2 2 1 PGM CA C -4.435 0.086 7.270 1.00 . B A . 68 PGM CA 1 1 3 2904 2 2 1 PGM CB C -4.294 -0.296 5.859 1.00 . B A . 68 PGM CB 1 1 3 2905 2 2 1 PGM CC C -2.886 -0.512 5.370 1.00 . B A . 68 PGM CC 1 1 3 2906 2 2 1 PGM CD C -2.645 -0.100 3.945 1.00 . B A . 68 PGM CD 1 1 3 2907 2 2 1 PGM CE C -1.253 0.389 3.676 1.00 . B A . 68 PGM CE 1 1 3 2908 2 2 1 PGM CF C -0.856 0.360 2.231 1.00 . B A . 68 PGM CF 1 1 3 2909 2 2 1 PGM CG C 0.593 0.657 1.976 1.00 . B A . 68 PGM CG 1 1 3 2910 2 2 1 PGM CH C 0.929 1.023 0.569 1.00 . B A . 68 PGM CH 1 1 3 2911 2 2 1 PGM CI C 2.245 1.707 0.389 1.00 . B A . 68 PGM CI 1 1 3 2912 2 2 1 PGM CJ C 2.193 3.196 0.476 1.00 . B A . 68 PGM CJ 1 1 3 2913 2 2 1 PGM CK C 1.935 3.905 -0.814 1.00 . B A . 68 PGM CK 1 1 3 2914 2 2 1 PGM CL C 1.789 5.392 -0.706 1.00 . B A . 68 PGM CL 1 1 3 2915 2 2 1 PGM CM C 2.269 6.166 -1.892 1.00 . B A . 68 PGM CM 1 1 3 2916 2 2 1 PGM CN C 1.247 6.398 -2.957 1.00 . B A . 68 PGM CN 1 1 3 2917 2 2 1 PGM CO C 1.608 5.876 -4.311 1.00 . B A . 68 PGM CO 1 1 3 2918 2 2 1 PGM CP C 1.096 6.705 -5.451 1.00 . B A . 68 PGM CP 1 1 3 2919 2 2 1 PGM O1 O -10.020 0.091 17.981 1.00 . B A . 68 PGM O1 1 1 3 2920 2 2 1 PGM O2 O -8.705 -0.655 15.579 1.00 . B A . 68 PGM O2 1 1 3 2921 2 2 1 PGM O4 O -7.492 1.512 14.318 1.00 . B A . 68 PGM O4 1 1 3 2922 2 2 1 PGM O5A O -5.146 1.163 13.479 1.00 . B A . 68 PGM O5A 1 1 3 2923 2 2 1 PGM O5B O -6.766 -0.781 13.628 1.00 . B A . 68 PGM O5B 1 1 3 2924 2 2 1 PGM O6 O -7.047 0.968 11.879 1.00 . B A . 68 PGM O6 1 1 3 2925 2 2 1 PGM O8 O -6.680 -1.665 9.919 1.00 . B A . 68 PGM O8 1 1 3 2926 2 2 1 PGM OQ1 O -3.832 1.159 7.616 1.00 . B A . 68 PGM OQ1 1 1 3 2927 2 2 1 PGM OQ2 O -5.136 -0.507 8.032 1.00 . B A . 68 PGM OQ2 1 1 3 2928 2 2 1 PGM P5 P -6.532 0.655 13.361 1.00 . B A . 68 PGM P5 1 1 4 2929 1 1 1 ALA C C 13.851 6.069 -0.328 1.00 . A A . 1 ALA C 1 1 4 2930 1 1 1 ALA CA C 15.281 5.823 0.140 1.00 . A A . 1 ALA CA 1 1 4 2931 1 1 1 ALA CB C 15.322 5.671 1.653 1.00 . A A . 1 ALA CB 1 1 4 2932 1 1 1 ALA H1 H 17.040 6.878 0.292 1.00 . A A . 1 ALA H1 1 1 4 2933 1 1 1 ALA H2 H 15.674 7.822 -0.144 1.00 . A A . 1 ALA H2 1 1 4 2934 1 1 1 ALA H3 H 16.402 6.778 -1.296 1.00 . A A . 1 ALA H3 1 1 4 2935 1 1 1 ALA HA H 15.637 4.903 -0.298 1.00 . A A . 1 ALA HA 1 1 4 2936 1 1 1 ALA HB1 H 14.430 5.162 1.988 1.00 . A A . 1 ALA HB1 1 1 4 2937 1 1 1 ALA HB2 H 15.372 6.648 2.112 1.00 . A A . 1 ALA HB2 1 1 4 2938 1 1 1 ALA HB3 H 16.191 5.096 1.934 1.00 . A A . 1 ALA HB3 1 1 4 2939 1 1 1 ALA N N 16.180 6.925 -0.291 1.00 . A A . 1 ALA N 1 1 4 2940 1 1 1 ALA O O 13.492 7.188 -0.697 1.00 . A A . 1 ALA O 1 1 4 2941 1 1 2 CYS C C 11.552 5.574 -2.186 1.00 . A A . 2 CYS C 1 1 4 2942 1 1 2 CYS CA C 11.647 5.119 -0.733 1.00 . A A . 2 CYS CA 1 1 4 2943 1 1 2 CYS CB C 10.887 6.094 0.169 1.00 . A A . 2 CYS CB 1 1 4 2944 1 1 2 CYS H H 13.384 4.152 -0.006 1.00 . A A . 2 CYS H 1 1 4 2945 1 1 2 CYS HA H 11.202 4.140 -0.645 1.00 . A A . 2 CYS HA 1 1 4 2946 1 1 2 CYS HB2 H 11.163 7.104 -0.092 1.00 . A A . 2 CYS HB2 1 1 4 2947 1 1 2 CYS HB3 H 9.826 5.965 0.011 1.00 . A A . 2 CYS HB3 1 1 4 2948 1 1 2 CYS N N 13.039 5.018 -0.310 1.00 . A A . 2 CYS N 1 1 4 2949 1 1 2 CYS O O 11.661 6.763 -2.484 1.00 . A A . 2 CYS O 1 1 4 2950 1 1 2 CYS SG S 11.216 5.873 1.948 1.00 . A A . 2 CYS SG 1 1 4 2951 1 1 3 GLN C C 10.022 5.796 -4.789 1.00 . A A . 3 GLN C 1 1 4 2952 1 1 3 GLN CA C 11.239 4.921 -4.510 1.00 . A A . 3 GLN CA 1 1 4 2953 1 1 3 GLN CB C 11.149 3.627 -5.322 1.00 . A A . 3 GLN CB 1 1 4 2954 1 1 3 GLN CD C 13.193 2.875 -6.603 1.00 . A A . 3 GLN CD 1 1 4 2955 1 1 3 GLN CG C 11.909 3.679 -6.638 1.00 . A A . 3 GLN CG 1 1 4 2956 1 1 3 GLN H H 11.270 3.688 -2.789 1.00 . A A . 3 GLN H 1 1 4 2957 1 1 3 GLN HA H 12.129 5.458 -4.804 1.00 . A A . 3 GLN HA 1 1 4 2958 1 1 3 GLN HB2 H 11.551 2.816 -4.731 1.00 . A A . 3 GLN HB2 1 1 4 2959 1 1 3 GLN HB3 H 10.111 3.422 -5.539 1.00 . A A . 3 GLN HB3 1 1 4 2960 1 1 3 GLN HE21 H 13.905 4.026 -5.147 1.00 . A A . 3 GLN HE21 1 1 4 2961 1 1 3 GLN HE22 H 14.948 2.754 -5.675 1.00 . A A . 3 GLN HE22 1 1 4 2962 1 1 3 GLN HG2 H 11.277 3.285 -7.419 1.00 . A A . 3 GLN HG2 1 1 4 2963 1 1 3 GLN HG3 H 12.152 4.709 -6.857 1.00 . A A . 3 GLN HG3 1 1 4 2964 1 1 3 GLN N N 11.348 4.619 -3.088 1.00 . A A . 3 GLN N 1 1 4 2965 1 1 3 GLN NE2 N 14.108 3.257 -5.719 1.00 . A A . 3 GLN NE2 1 1 4 2966 1 1 3 GLN O O 10.060 6.673 -5.653 1.00 . A A . 3 GLN O 1 1 4 2967 1 1 3 GLN OE1 O 13.362 1.920 -7.361 1.00 . A A . 3 GLN OE1 1 1 4 2968 1 1 4 ALA C C 7.189 6.219 -5.651 1.00 . A A . 4 ALA C 1 1 4 2969 1 1 4 ALA CA C 7.713 6.319 -4.221 1.00 . A A . 4 ALA CA 1 1 4 2970 1 1 4 ALA CB C 7.944 7.775 -3.844 1.00 . A A . 4 ALA CB 1 1 4 2971 1 1 4 ALA H H 8.973 4.841 -3.380 1.00 . A A . 4 ALA H 1 1 4 2972 1 1 4 ALA HA H 6.972 5.912 -3.548 1.00 . A A . 4 ALA HA 1 1 4 2973 1 1 4 ALA HB1 H 8.377 7.826 -2.856 1.00 . A A . 4 ALA HB1 1 1 4 2974 1 1 4 ALA HB2 H 7.002 8.303 -3.853 1.00 . A A . 4 ALA HB2 1 1 4 2975 1 1 4 ALA HB3 H 8.618 8.228 -4.556 1.00 . A A . 4 ALA HB3 1 1 4 2976 1 1 4 ALA N N 8.942 5.553 -4.053 1.00 . A A . 4 ALA N 1 1 4 2977 1 1 4 ALA O O 6.446 7.086 -6.112 1.00 . A A . 4 ALA O 1 1 4 2978 1 1 5 SER C C 6.458 3.596 -7.890 1.00 . A A . 5 SER C 1 1 4 2979 1 1 5 SER CA C 7.150 4.948 -7.729 1.00 . A A . 5 SER CA 1 1 4 2980 1 1 5 SER CB C 8.347 5.036 -8.677 1.00 . A A . 5 SER CB 1 1 4 2981 1 1 5 SER H H 8.174 4.501 -5.931 1.00 . A A . 5 SER H 1 1 4 2982 1 1 5 SER HA H 6.447 5.729 -7.978 1.00 . A A . 5 SER HA 1 1 4 2983 1 1 5 SER HB2 H 7.995 5.040 -9.698 1.00 . A A . 5 SER HB2 1 1 4 2984 1 1 5 SER HB3 H 8.893 5.947 -8.480 1.00 . A A . 5 SER HB3 1 1 4 2985 1 1 5 SER HG H 9.349 3.775 -7.563 1.00 . A A . 5 SER HG 1 1 4 2986 1 1 5 SER N N 7.581 5.157 -6.350 1.00 . A A . 5 SER N 1 1 4 2987 1 1 5 SER O O 5.523 3.458 -8.679 1.00 . A A . 5 SER O 1 1 4 2988 1 1 5 SER OG O 9.220 3.934 -8.500 1.00 . A A . 5 SER OG 1 1 4 2989 1 1 6 GLN C C 5.179 1.123 -6.252 1.00 . A A . 6 GLN C 1 1 4 2990 1 1 6 GLN CA C 6.363 1.267 -7.204 1.00 . A A . 6 GLN CA 1 1 4 2991 1 1 6 GLN CB C 7.435 0.228 -6.868 1.00 . A A . 6 GLN CB 1 1 4 2992 1 1 6 GLN CD C 8.702 -0.963 -8.702 1.00 . A A . 6 GLN CD 1 1 4 2993 1 1 6 GLN CG C 8.630 0.260 -7.809 1.00 . A A . 6 GLN CG 1 1 4 2994 1 1 6 GLN H H 7.668 2.765 -6.543 1.00 . A A . 6 GLN H 1 1 4 2995 1 1 6 GLN HA H 6.028 1.109 -8.208 1.00 . A A . 6 GLN HA 1 1 4 2996 1 1 6 GLN HB2 H 7.791 0.408 -5.863 1.00 . A A . 6 GLN HB2 1 1 4 2997 1 1 6 GLN HB3 H 6.993 -0.757 -6.913 1.00 . A A . 6 GLN HB3 1 1 4 2998 1 1 6 GLN HE21 H 7.458 -0.117 -10.002 1.00 . A A . 6 GLN HE21 1 1 4 2999 1 1 6 GLN HE22 H 8.014 -1.699 -10.416 1.00 . A A . 6 GLN HE22 1 1 4 3000 1 1 6 GLN HG2 H 8.557 1.138 -8.432 1.00 . A A . 6 GLN HG2 1 1 4 3001 1 1 6 GLN HG3 H 9.534 0.311 -7.220 1.00 . A A . 6 GLN HG3 1 1 4 3002 1 1 6 GLN N N 6.926 2.601 -7.143 1.00 . A A . 6 GLN N 1 1 4 3003 1 1 6 GLN NE2 N 7.986 -0.922 -9.820 1.00 . A A . 6 GLN NE2 1 1 4 3004 1 1 6 GLN O O 5.103 0.165 -5.483 1.00 . A A . 6 GLN O 1 1 4 3005 1 1 6 GLN OE1 O 9.394 -1.933 -8.392 1.00 . A A . 6 GLN OE1 1 1 4 3006 1 1 7 LEU C C 1.903 2.776 -6.088 1.00 . A A . 7 LEU C 1 1 4 3007 1 1 7 LEU CA C 3.084 2.057 -5.440 1.00 . A A . 7 LEU CA 1 1 4 3008 1 1 7 LEU CB C 3.407 2.701 -4.090 1.00 . A A . 7 LEU CB 1 1 4 3009 1 1 7 LEU CD1 C 4.968 2.952 -2.144 1.00 . A A . 7 LEU CD1 1 1 4 3010 1 1 7 LEU CD2 C 4.315 0.669 -2.932 1.00 . A A . 7 LEU CD2 1 1 4 3011 1 1 7 LEU CG C 4.608 2.103 -3.353 1.00 . A A . 7 LEU CG 1 1 4 3012 1 1 7 LEU H H 4.374 2.820 -6.935 1.00 . A A . 7 LEU H 1 1 4 3013 1 1 7 LEU HA H 2.815 1.024 -5.278 1.00 . A A . 7 LEU HA 1 1 4 3014 1 1 7 LEU HB2 H 3.599 3.752 -4.253 1.00 . A A . 7 LEU HB2 1 1 4 3015 1 1 7 LEU HB3 H 2.540 2.606 -3.453 1.00 . A A . 7 LEU HB3 1 1 4 3016 1 1 7 LEU HD11 H 4.555 3.943 -2.263 1.00 . A A . 7 LEU HD11 1 1 4 3017 1 1 7 LEU HD12 H 6.043 3.019 -2.058 1.00 . A A . 7 LEU HD12 1 1 4 3018 1 1 7 LEU HD13 H 4.564 2.498 -1.251 1.00 . A A . 7 LEU HD13 1 1 4 3019 1 1 7 LEU HD21 H 3.633 0.218 -3.638 1.00 . A A . 7 LEU HD21 1 1 4 3020 1 1 7 LEU HD22 H 3.867 0.667 -1.949 1.00 . A A . 7 LEU HD22 1 1 4 3021 1 1 7 LEU HD23 H 5.235 0.104 -2.909 1.00 . A A . 7 LEU HD23 1 1 4 3022 1 1 7 LEU HG H 5.461 2.091 -4.017 1.00 . A A . 7 LEU HG 1 1 4 3023 1 1 7 LEU N N 4.259 2.081 -6.304 1.00 . A A . 7 LEU N 1 1 4 3024 1 1 7 LEU O O 0.762 2.328 -5.985 1.00 . A A . 7 LEU O 1 1 4 3025 1 1 8 ALA C C 0.198 3.801 -8.217 1.00 . A A . 8 ALA C 1 1 4 3026 1 1 8 ALA CA C 1.142 4.683 -7.410 1.00 . A A . 8 ALA CA 1 1 4 3027 1 1 8 ALA CB C 1.767 5.744 -8.302 1.00 . A A . 8 ALA CB 1 1 4 3028 1 1 8 ALA H H 3.109 4.209 -6.793 1.00 . A A . 8 ALA H 1 1 4 3029 1 1 8 ALA HA H 0.576 5.180 -6.648 1.00 . A A . 8 ALA HA 1 1 4 3030 1 1 8 ALA HB1 H 0.989 6.349 -8.743 1.00 . A A . 8 ALA HB1 1 1 4 3031 1 1 8 ALA HB2 H 2.338 5.266 -9.085 1.00 . A A . 8 ALA HB2 1 1 4 3032 1 1 8 ALA HB3 H 2.419 6.371 -7.713 1.00 . A A . 8 ALA HB3 1 1 4 3033 1 1 8 ALA N N 2.182 3.898 -6.751 1.00 . A A . 8 ALA N 1 1 4 3034 1 1 8 ALA O O -1.021 3.965 -8.170 1.00 . A A . 8 ALA O 1 1 4 3035 1 1 9 VAL C C -1.037 1.202 -8.945 1.00 . A A . 9 VAL C 1 1 4 3036 1 1 9 VAL CA C 0.002 1.949 -9.777 1.00 . A A . 9 VAL CA 1 1 4 3037 1 1 9 VAL CB C 0.912 0.930 -10.490 1.00 . A A . 9 VAL CB 1 1 4 3038 1 1 9 VAL CG1 C 1.660 0.076 -9.476 1.00 . A A . 9 VAL CG1 1 1 4 3039 1 1 9 VAL CG2 C 0.102 0.059 -11.439 1.00 . A A . 9 VAL CG2 1 1 4 3040 1 1 9 VAL H H 1.746 2.796 -8.943 1.00 . A A . 9 VAL H 1 1 4 3041 1 1 9 VAL HA H -0.504 2.532 -10.525 1.00 . A A . 9 VAL HA 1 1 4 3042 1 1 9 VAL HB H 1.641 1.476 -11.072 1.00 . A A . 9 VAL HB 1 1 4 3043 1 1 9 VAL HG11 H 0.952 -0.397 -8.813 1.00 . A A . 9 VAL HG11 1 1 4 3044 1 1 9 VAL HG12 H 2.328 0.701 -8.902 1.00 . A A . 9 VAL HG12 1 1 4 3045 1 1 9 VAL HG13 H 2.230 -0.681 -9.994 1.00 . A A . 9 VAL HG13 1 1 4 3046 1 1 9 VAL HG21 H -0.814 0.568 -11.701 1.00 . A A . 9 VAL HG21 1 1 4 3047 1 1 9 VAL HG22 H -0.132 -0.878 -10.957 1.00 . A A . 9 VAL HG22 1 1 4 3048 1 1 9 VAL HG23 H 0.677 -0.130 -12.333 1.00 . A A . 9 VAL HG23 1 1 4 3049 1 1 9 VAL N N 0.775 2.867 -8.954 1.00 . A A . 9 VAL N 1 1 4 3050 1 1 9 VAL O O -2.055 0.745 -9.465 1.00 . A A . 9 VAL O 1 1 4 3051 1 1 10 CYS C C -2.804 1.324 -6.313 1.00 . A A . 10 CYS C 1 1 4 3052 1 1 10 CYS CA C -1.671 0.400 -6.733 1.00 . A A . 10 CYS CA 1 1 4 3053 1 1 10 CYS CB C -0.906 -0.055 -5.496 1.00 . A A . 10 CYS CB 1 1 4 3054 1 1 10 CYS H H 0.059 1.475 -7.302 1.00 . A A . 10 CYS H 1 1 4 3055 1 1 10 CYS HA H -2.081 -0.461 -7.238 1.00 . A A . 10 CYS HA 1 1 4 3056 1 1 10 CYS HB2 H 0.101 -0.309 -5.783 1.00 . A A . 10 CYS HB2 1 1 4 3057 1 1 10 CYS HB3 H -0.878 0.759 -4.783 1.00 . A A . 10 CYS HB3 1 1 4 3058 1 1 10 CYS N N -0.769 1.086 -7.651 1.00 . A A . 10 CYS N 1 1 4 3059 1 1 10 CYS O O -3.916 0.880 -6.028 1.00 . A A . 10 CYS O 1 1 4 3060 1 1 10 CYS SG S -1.636 -1.498 -4.655 1.00 . A A . 10 CYS SG 1 1 4 3061 1 1 11 ALA C C -4.828 3.383 -6.529 1.00 . A A . 11 ALA C 1 1 4 3062 1 1 11 ALA CA C -3.471 3.638 -5.889 1.00 . A A . 11 ALA CA 1 1 4 3063 1 1 11 ALA CB C -2.960 5.021 -6.267 1.00 . A A . 11 ALA CB 1 1 4 3064 1 1 11 ALA H H -1.592 2.891 -6.513 1.00 . A A . 11 ALA H 1 1 4 3065 1 1 11 ALA HA H -3.581 3.602 -4.820 1.00 . A A . 11 ALA HA 1 1 4 3066 1 1 11 ALA HB1 H -3.600 5.773 -5.830 1.00 . A A . 11 ALA HB1 1 1 4 3067 1 1 11 ALA HB2 H -2.964 5.125 -7.342 1.00 . A A . 11 ALA HB2 1 1 4 3068 1 1 11 ALA HB3 H -1.953 5.145 -5.897 1.00 . A A . 11 ALA HB3 1 1 4 3069 1 1 11 ALA N N -2.500 2.617 -6.276 1.00 . A A . 11 ALA N 1 1 4 3070 1 1 11 ALA O O -5.869 3.718 -5.965 1.00 . A A . 11 ALA O 1 1 4 3071 1 1 12 SER C C -7.003 1.711 -7.547 1.00 . A A . 12 SER C 1 1 4 3072 1 1 12 SER CA C -6.022 2.468 -8.438 1.00 . A A . 12 SER CA 1 1 4 3073 1 1 12 SER CB C -5.700 1.639 -9.682 1.00 . A A . 12 SER CB 1 1 4 3074 1 1 12 SER H H -3.937 2.543 -8.097 1.00 . A A . 12 SER H 1 1 4 3075 1 1 12 SER HA H -6.471 3.398 -8.742 1.00 . A A . 12 SER HA 1 1 4 3076 1 1 12 SER HB2 H -5.471 0.625 -9.388 1.00 . A A . 12 SER HB2 1 1 4 3077 1 1 12 SER HB3 H -6.555 1.637 -10.342 1.00 . A A . 12 SER HB3 1 1 4 3078 1 1 12 SER HG H -3.784 1.745 -10.075 1.00 . A A . 12 SER HG 1 1 4 3079 1 1 12 SER N N -4.801 2.783 -7.709 1.00 . A A . 12 SER N 1 1 4 3080 1 1 12 SER O O -8.218 1.883 -7.654 1.00 . A A . 12 SER O 1 1 4 3081 1 1 12 SER OG O -4.587 2.174 -10.378 1.00 . A A . 12 SER OG 1 1 4 3082 1 1 13 ALA C C -7.539 0.850 -4.457 1.00 . A A . 13 ALA C 1 1 4 3083 1 1 13 ALA CA C -7.280 0.090 -5.755 1.00 . A A . 13 ALA CA 1 1 4 3084 1 1 13 ALA CB C -6.612 -1.246 -5.463 1.00 . A A . 13 ALA CB 1 1 4 3085 1 1 13 ALA H H -5.495 0.780 -6.630 1.00 . A A . 13 ALA H 1 1 4 3086 1 1 13 ALA HA H -8.218 -0.104 -6.242 1.00 . A A . 13 ALA HA 1 1 4 3087 1 1 13 ALA HB1 H -5.917 -1.481 -6.255 1.00 . A A . 13 ALA HB1 1 1 4 3088 1 1 13 ALA HB2 H -7.364 -2.018 -5.403 1.00 . A A . 13 ALA HB2 1 1 4 3089 1 1 13 ALA HB3 H -6.082 -1.186 -4.524 1.00 . A A . 13 ALA HB3 1 1 4 3090 1 1 13 ALA N N -6.464 0.873 -6.666 1.00 . A A . 13 ALA N 1 1 4 3091 1 1 13 ALA O O -8.589 0.693 -3.834 1.00 . A A . 13 ALA O 1 1 4 3092 1 1 14 ILE C C -7.676 3.621 -3.030 1.00 . A A . 14 ILE C 1 1 4 3093 1 1 14 ILE CA C -6.702 2.460 -2.834 1.00 . A A . 14 ILE CA 1 1 4 3094 1 1 14 ILE CB C -5.334 3.014 -2.374 1.00 . A A . 14 ILE CB 1 1 4 3095 1 1 14 ILE CD1 C -3.734 1.177 -3.124 1.00 . A A . 14 ILE CD1 1 1 4 3096 1 1 14 ILE CG1 C -4.404 1.872 -1.957 1.00 . A A . 14 ILE CG1 1 1 4 3097 1 1 14 ILE CG2 C -5.508 3.997 -1.224 1.00 . A A . 14 ILE CG2 1 1 4 3098 1 1 14 ILE H H -5.762 1.759 -4.596 1.00 . A A . 14 ILE H 1 1 4 3099 1 1 14 ILE HA H -7.083 1.810 -2.059 1.00 . A A . 14 ILE HA 1 1 4 3100 1 1 14 ILE HB H -4.890 3.544 -3.203 1.00 . A A . 14 ILE HB 1 1 4 3101 1 1 14 ILE HD11 H -2.707 0.957 -2.871 1.00 . A A . 14 ILE HD11 1 1 4 3102 1 1 14 ILE HD12 H -3.762 1.820 -3.991 1.00 . A A . 14 ILE HD12 1 1 4 3103 1 1 14 ILE HD13 H -4.255 0.256 -3.342 1.00 . A A . 14 ILE HD13 1 1 4 3104 1 1 14 ILE HG12 H -3.628 2.267 -1.315 1.00 . A A . 14 ILE HG12 1 1 4 3105 1 1 14 ILE HG13 H -4.974 1.133 -1.412 1.00 . A A . 14 ILE HG13 1 1 4 3106 1 1 14 ILE HG21 H -6.423 3.774 -0.695 1.00 . A A . 14 ILE HG21 1 1 4 3107 1 1 14 ILE HG22 H -5.555 5.003 -1.614 1.00 . A A . 14 ILE HG22 1 1 4 3108 1 1 14 ILE HG23 H -4.671 3.912 -0.547 1.00 . A A . 14 ILE HG23 1 1 4 3109 1 1 14 ILE N N -6.576 1.675 -4.056 1.00 . A A . 14 ILE N 1 1 4 3110 1 1 14 ILE O O -8.739 3.664 -2.411 1.00 . A A . 14 ILE O 1 1 4 3111 1 1 15 LEU C C -9.442 5.323 -4.837 1.00 . A A . 15 LEU C 1 1 4 3112 1 1 15 LEU CA C -8.134 5.726 -4.163 1.00 . A A . 15 LEU CA 1 1 4 3113 1 1 15 LEU CB C -7.379 6.724 -5.043 1.00 . A A . 15 LEU CB 1 1 4 3114 1 1 15 LEU CD1 C -5.354 8.157 -5.405 1.00 . A A . 15 LEU CD1 1 1 4 3115 1 1 15 LEU CD2 C -6.625 8.313 -3.257 1.00 . A A . 15 LEU CD2 1 1 4 3116 1 1 15 LEU CG C -6.173 7.390 -4.379 1.00 . A A . 15 LEU CG 1 1 4 3117 1 1 15 LEU H H -6.438 4.472 -4.349 1.00 . A A . 15 LEU H 1 1 4 3118 1 1 15 LEU HA H -8.363 6.197 -3.219 1.00 . A A . 15 LEU HA 1 1 4 3119 1 1 15 LEU HB2 H -7.037 6.205 -5.927 1.00 . A A . 15 LEU HB2 1 1 4 3120 1 1 15 LEU HB3 H -8.068 7.499 -5.345 1.00 . A A . 15 LEU HB3 1 1 4 3121 1 1 15 LEU HD11 H -5.998 8.483 -6.209 1.00 . A A . 15 LEU HD11 1 1 4 3122 1 1 15 LEU HD12 H -4.580 7.516 -5.801 1.00 . A A . 15 LEU HD12 1 1 4 3123 1 1 15 LEU HD13 H -4.903 9.018 -4.935 1.00 . A A . 15 LEU HD13 1 1 4 3124 1 1 15 LEU HD21 H -7.612 8.022 -2.927 1.00 . A A . 15 LEU HD21 1 1 4 3125 1 1 15 LEU HD22 H -6.652 9.331 -3.617 1.00 . A A . 15 LEU HD22 1 1 4 3126 1 1 15 LEU HD23 H -5.933 8.241 -2.431 1.00 . A A . 15 LEU HD23 1 1 4 3127 1 1 15 LEU HG H -5.540 6.627 -3.951 1.00 . A A . 15 LEU HG 1 1 4 3128 1 1 15 LEU N N -7.300 4.561 -3.890 1.00 . A A . 15 LEU N 1 1 4 3129 1 1 15 LEU O O -10.502 5.331 -4.212 1.00 . A A . 15 LEU O 1 1 4 3130 1 1 16 SER C C -11.282 3.434 -6.182 1.00 . A A . 16 SER C 1 1 4 3131 1 1 16 SER CA C -10.539 4.570 -6.879 1.00 . A A . 16 SER CA 1 1 4 3132 1 1 16 SER CB C -10.136 4.141 -8.292 1.00 . A A . 16 SER CB 1 1 4 3133 1 1 16 SER H H -8.487 4.989 -6.563 1.00 . A A . 16 SER H 1 1 4 3134 1 1 16 SER HA H -11.196 5.424 -6.947 1.00 . A A . 16 SER HA 1 1 4 3135 1 1 16 SER HB2 H -9.168 4.555 -8.529 1.00 . A A . 16 SER HB2 1 1 4 3136 1 1 16 SER HB3 H -10.088 3.063 -8.339 1.00 . A A . 16 SER HB3 1 1 4 3137 1 1 16 SER HG H -10.868 5.505 -9.493 1.00 . A A . 16 SER HG 1 1 4 3138 1 1 16 SER N N -9.360 4.973 -6.118 1.00 . A A . 16 SER N 1 1 4 3139 1 1 16 SER O O -12.383 3.624 -5.666 1.00 . A A . 16 SER O 1 1 4 3140 1 1 16 SER OG O -11.074 4.599 -9.250 1.00 . A A . 16 SER OG 1 1 4 3141 1 1 17 GLY C C -11.734 0.054 -6.532 1.00 . A A . 17 GLY C 1 1 4 3142 1 1 17 GLY CA C -11.292 1.106 -5.533 1.00 . A A . 17 GLY CA 1 1 4 3143 1 1 17 GLY H H -9.795 2.160 -6.596 1.00 . A A . 17 GLY H 1 1 4 3144 1 1 17 GLY HA2 H -10.583 0.661 -4.851 1.00 . A A . 17 GLY HA2 1 1 4 3145 1 1 17 GLY HA3 H -12.153 1.439 -4.973 1.00 . A A . 17 GLY HA3 1 1 4 3146 1 1 17 GLY N N -10.672 2.253 -6.170 1.00 . A A . 17 GLY N 1 1 4 3147 1 1 17 GLY O O -12.651 -0.721 -6.261 1.00 . A A . 17 GLY O 1 1 4 3148 1 1 18 ALA C C -11.193 -2.363 -8.242 1.00 . A A . 18 ALA C 1 1 4 3149 1 1 18 ALA CA C -11.412 -0.939 -8.729 1.00 . A A . 18 ALA CA 1 1 4 3150 1 1 18 ALA CB C -10.587 -0.671 -9.979 1.00 . A A . 18 ALA CB 1 1 4 3151 1 1 18 ALA H H -10.359 0.669 -7.846 1.00 . A A . 18 ALA H 1 1 4 3152 1 1 18 ALA HA H -12.447 -0.816 -8.980 1.00 . A A . 18 ALA HA 1 1 4 3153 1 1 18 ALA HB1 H -11.063 0.101 -10.567 1.00 . A A . 18 ALA HB1 1 1 4 3154 1 1 18 ALA HB2 H -10.515 -1.576 -10.564 1.00 . A A . 18 ALA HB2 1 1 4 3155 1 1 18 ALA HB3 H -9.596 -0.347 -9.695 1.00 . A A . 18 ALA HB3 1 1 4 3156 1 1 18 ALA N N -11.081 0.026 -7.689 1.00 . A A . 18 ALA N 1 1 4 3157 1 1 18 ALA O O -12.140 -3.075 -7.908 1.00 . A A . 18 ALA O 1 1 4 3158 1 1 19 LYS C C -8.049 -4.238 -7.647 1.00 . A A . 19 LYS C 1 1 4 3159 1 1 19 LYS CA C -9.566 -4.103 -7.761 1.00 . A A . 19 LYS CA 1 1 4 3160 1 1 19 LYS CB C -10.113 -5.157 -8.726 1.00 . A A . 19 LYS CB 1 1 4 3161 1 1 19 LYS CD C -11.255 -4.715 -10.924 1.00 . A A . 19 LYS CD 1 1 4 3162 1 1 19 LYS CE C -11.075 -4.227 -12.352 1.00 . A A . 19 LYS CE 1 1 4 3163 1 1 19 LYS CG C -9.925 -4.797 -10.191 1.00 . A A . 19 LYS CG 1 1 4 3164 1 1 19 LYS H H -9.237 -2.144 -8.485 1.00 . A A . 19 LYS H 1 1 4 3165 1 1 19 LYS HA H -10.002 -4.258 -6.786 1.00 . A A . 19 LYS HA 1 1 4 3166 1 1 19 LYS HB2 H -9.610 -6.094 -8.540 1.00 . A A . 19 LYS HB2 1 1 4 3167 1 1 19 LYS HB3 H -11.170 -5.283 -8.540 1.00 . A A . 19 LYS HB3 1 1 4 3168 1 1 19 LYS HD2 H -11.705 -5.696 -10.943 1.00 . A A . 19 LYS HD2 1 1 4 3169 1 1 19 LYS HD3 H -11.903 -4.030 -10.397 1.00 . A A . 19 LYS HD3 1 1 4 3170 1 1 19 LYS HE2 H -11.057 -3.147 -12.350 1.00 . A A . 19 LYS HE2 1 1 4 3171 1 1 19 LYS HE3 H -10.136 -4.601 -12.731 1.00 . A A . 19 LYS HE3 1 1 4 3172 1 1 19 LYS HG2 H -9.431 -3.839 -10.256 1.00 . A A . 19 LYS HG2 1 1 4 3173 1 1 19 LYS HG3 H -9.311 -5.552 -10.661 1.00 . A A . 19 LYS HG3 1 1 4 3174 1 1 19 LYS HZ1 H -13.086 -4.643 -12.738 1.00 . A A . 19 LYS HZ1 1 1 4 3175 1 1 19 LYS HZ2 H -12.008 -5.673 -13.537 1.00 . A A . 19 LYS HZ2 1 1 4 3176 1 1 19 LYS HZ3 H -12.228 -4.089 -14.088 1.00 . A A . 19 LYS HZ3 1 1 4 3177 1 1 19 LYS N N -9.935 -2.766 -8.206 1.00 . A A . 19 LYS N 1 1 4 3178 1 1 19 LYS NZ N -12.176 -4.690 -13.241 1.00 . A A . 19 LYS NZ 1 1 4 3179 1 1 19 LYS O O -7.303 -3.489 -8.277 1.00 . A A . 19 LYS O 1 1 4 3180 1 1 20 PRO C C -5.443 -5.859 -7.934 1.00 . A A . 20 PRO C 1 1 4 3181 1 1 20 PRO CA C -6.136 -5.429 -6.646 1.00 . A A . 20 PRO CA 1 1 4 3182 1 1 20 PRO CB C -6.082 -6.556 -5.608 1.00 . A A . 20 PRO CB 1 1 4 3183 1 1 20 PRO CD C -8.391 -6.138 -6.052 1.00 . A A . 20 PRO CD 1 1 4 3184 1 1 20 PRO CG C -7.414 -7.219 -5.688 1.00 . A A . 20 PRO CG 1 1 4 3185 1 1 20 PRO HA H -5.647 -4.550 -6.253 1.00 . A A . 20 PRO HA 1 1 4 3186 1 1 20 PRO HB2 H -5.285 -7.240 -5.858 1.00 . A A . 20 PRO HB2 1 1 4 3187 1 1 20 PRO HB3 H -5.910 -6.137 -4.628 1.00 . A A . 20 PRO HB3 1 1 4 3188 1 1 20 PRO HD2 H -9.197 -6.541 -6.647 1.00 . A A . 20 PRO HD2 1 1 4 3189 1 1 20 PRO HD3 H -8.776 -5.661 -5.163 1.00 . A A . 20 PRO HD3 1 1 4 3190 1 1 20 PRO HG2 H -7.399 -7.983 -6.452 1.00 . A A . 20 PRO HG2 1 1 4 3191 1 1 20 PRO HG3 H -7.669 -7.649 -4.731 1.00 . A A . 20 PRO HG3 1 1 4 3192 1 1 20 PRO N N -7.572 -5.200 -6.839 1.00 . A A . 20 PRO N 1 1 4 3193 1 1 20 PRO O O -6.011 -5.754 -9.021 1.00 . A A . 20 PRO O 1 1 4 3194 1 1 21 SER C C -2.121 -7.416 -8.519 1.00 . A A . 21 SER C 1 1 4 3195 1 1 21 SER CA C -3.441 -6.789 -8.958 1.00 . A A . 21 SER CA 1 1 4 3196 1 1 21 SER CB C -3.173 -5.618 -9.904 1.00 . A A . 21 SER CB 1 1 4 3197 1 1 21 SER H H -3.814 -6.402 -6.912 1.00 . A A . 21 SER H 1 1 4 3198 1 1 21 SER HA H -4.024 -7.534 -9.476 1.00 . A A . 21 SER HA 1 1 4 3199 1 1 21 SER HB2 H -3.906 -4.843 -9.732 1.00 . A A . 21 SER HB2 1 1 4 3200 1 1 21 SER HB3 H -2.184 -5.225 -9.718 1.00 . A A . 21 SER HB3 1 1 4 3201 1 1 21 SER HG H -3.697 -5.349 -11.773 1.00 . A A . 21 SER HG 1 1 4 3202 1 1 21 SER N N -4.212 -6.343 -7.804 1.00 . A A . 21 SER N 1 1 4 3203 1 1 21 SER O O -1.509 -6.980 -7.544 1.00 . A A . 21 SER O 1 1 4 3204 1 1 21 SER OG O -3.254 -6.027 -11.259 1.00 . A A . 21 SER OG 1 1 4 3205 1 1 22 GLY C C 0.747 -8.176 -8.956 1.00 . A A . 22 GLY C 1 1 4 3206 1 1 22 GLY CA C -0.446 -9.111 -8.917 1.00 . A A . 22 GLY CA 1 1 4 3207 1 1 22 GLY H H -2.220 -8.745 -10.012 1.00 . A A . 22 GLY H 1 1 4 3208 1 1 22 GLY HA2 H -0.528 -9.531 -7.925 1.00 . A A . 22 GLY HA2 1 1 4 3209 1 1 22 GLY HA3 H -0.284 -9.913 -9.622 1.00 . A A . 22 GLY HA3 1 1 4 3210 1 1 22 GLY N N -1.690 -8.441 -9.246 1.00 . A A . 22 GLY N 1 1 4 3211 1 1 22 GLY O O 1.745 -8.404 -8.271 1.00 . A A . 22 GLY O 1 1 4 3212 1 1 23 GLU C C 2.025 -5.505 -8.550 1.00 . A A . 23 GLU C 1 1 4 3213 1 1 23 GLU CA C 1.717 -6.157 -9.892 1.00 . A A . 23 GLU CA 1 1 4 3214 1 1 23 GLU CB C 1.313 -5.095 -10.909 1.00 . A A . 23 GLU CB 1 1 4 3215 1 1 23 GLU CD C 2.482 -2.925 -11.446 1.00 . A A . 23 GLU CD 1 1 4 3216 1 1 23 GLU CG C 2.493 -4.435 -11.580 1.00 . A A . 23 GLU CG 1 1 4 3217 1 1 23 GLU H H -0.164 -6.992 -10.285 1.00 . A A . 23 GLU H 1 1 4 3218 1 1 23 GLU HA H 2.597 -6.672 -10.247 1.00 . A A . 23 GLU HA 1 1 4 3219 1 1 23 GLU HB2 H 0.702 -5.557 -11.674 1.00 . A A . 23 GLU HB2 1 1 4 3220 1 1 23 GLU HB3 H 0.736 -4.330 -10.406 1.00 . A A . 23 GLU HB3 1 1 4 3221 1 1 23 GLU HG2 H 3.396 -4.818 -11.133 1.00 . A A . 23 GLU HG2 1 1 4 3222 1 1 23 GLU HG3 H 2.474 -4.693 -12.627 1.00 . A A . 23 GLU HG3 1 1 4 3223 1 1 23 GLU N N 0.648 -7.123 -9.761 1.00 . A A . 23 GLU N 1 1 4 3224 1 1 23 GLU O O 3.160 -5.539 -8.076 1.00 . A A . 23 GLU O 1 1 4 3225 1 1 23 GLU OE1 O 1.436 -2.311 -11.743 1.00 . A A . 23 GLU OE1 1 1 4 3226 1 1 23 GLU OE2 O 3.519 -2.357 -11.044 1.00 . A A . 23 GLU OE2 1 1 4 3227 1 1 24 CYS C C 1.738 -5.194 -5.614 1.00 . A A . 24 CYS C 1 1 4 3228 1 1 24 CYS CA C 1.155 -4.246 -6.657 1.00 . A A . 24 CYS CA 1 1 4 3229 1 1 24 CYS CB C -0.190 -3.700 -6.173 1.00 . A A . 24 CYS CB 1 1 4 3230 1 1 24 CYS H H 0.125 -4.917 -8.374 1.00 . A A . 24 CYS H 1 1 4 3231 1 1 24 CYS HA H 1.834 -3.427 -6.797 1.00 . A A . 24 CYS HA 1 1 4 3232 1 1 24 CYS HB2 H -0.571 -3.002 -6.903 1.00 . A A . 24 CYS HB2 1 1 4 3233 1 1 24 CYS HB3 H -0.886 -4.519 -6.069 1.00 . A A . 24 CYS HB3 1 1 4 3234 1 1 24 CYS N N 1.002 -4.910 -7.944 1.00 . A A . 24 CYS N 1 1 4 3235 1 1 24 CYS O O 2.374 -4.762 -4.653 1.00 . A A . 24 CYS O 1 1 4 3236 1 1 24 CYS SG S -0.108 -2.833 -4.571 1.00 . A A . 24 CYS SG 1 1 4 3237 1 1 25 CYS C C 3.539 -7.540 -4.904 1.00 . A A . 25 CYS C 1 1 4 3238 1 1 25 CYS CA C 2.015 -7.501 -4.893 1.00 . A A . 25 CYS CA 1 1 4 3239 1 1 25 CYS CB C 1.452 -8.875 -5.265 1.00 . A A . 25 CYS CB 1 1 4 3240 1 1 25 CYS H H 1.001 -6.764 -6.598 1.00 . A A . 25 CYS H 1 1 4 3241 1 1 25 CYS HA H 1.680 -7.241 -3.900 1.00 . A A . 25 CYS HA 1 1 4 3242 1 1 25 CYS HB2 H 0.963 -8.807 -6.225 1.00 . A A . 25 CYS HB2 1 1 4 3243 1 1 25 CYS HB3 H 2.264 -9.585 -5.331 1.00 . A A . 25 CYS HB3 1 1 4 3244 1 1 25 CYS N N 1.515 -6.486 -5.813 1.00 . A A . 25 CYS N 1 1 4 3245 1 1 25 CYS O O 4.178 -7.539 -3.851 1.00 . A A . 25 CYS O 1 1 4 3246 1 1 25 CYS SG S 0.240 -9.529 -4.073 1.00 . A A . 25 CYS SG 1 1 4 3247 1 1 26 GLY C C 6.206 -6.265 -6.038 1.00 . A A . 26 GLY C 1 1 4 3248 1 1 26 GLY CA C 5.560 -7.623 -6.227 1.00 . A A . 26 GLY CA 1 1 4 3249 1 1 26 GLY H H 3.555 -7.581 -6.904 1.00 . A A . 26 GLY H 1 1 4 3250 1 1 26 GLY HA2 H 5.954 -8.302 -5.486 1.00 . A A . 26 GLY HA2 1 1 4 3251 1 1 26 GLY HA3 H 5.811 -7.995 -7.210 1.00 . A A . 26 GLY HA3 1 1 4 3252 1 1 26 GLY N N 4.115 -7.579 -6.100 1.00 . A A . 26 GLY N 1 1 4 3253 1 1 26 GLY O O 7.376 -6.175 -5.665 1.00 . A A . 26 GLY O 1 1 4 3254 1 1 27 ASN C C 6.291 -3.545 -4.714 1.00 . A A . 27 ASN C 1 1 4 3255 1 1 27 ASN CA C 5.958 -3.852 -6.160 1.00 . A A . 27 ASN CA 1 1 4 3256 1 1 27 ASN CB C 4.942 -2.840 -6.692 1.00 . A A . 27 ASN CB 1 1 4 3257 1 1 27 ASN CG C 4.784 -2.916 -8.198 1.00 . A A . 27 ASN CG 1 1 4 3258 1 1 27 ASN H H 4.530 -5.332 -6.596 1.00 . A A . 27 ASN H 1 1 4 3259 1 1 27 ASN HA H 6.852 -3.787 -6.736 1.00 . A A . 27 ASN HA 1 1 4 3260 1 1 27 ASN HB2 H 3.981 -3.031 -6.238 1.00 . A A . 27 ASN HB2 1 1 4 3261 1 1 27 ASN HB3 H 5.267 -1.844 -6.432 1.00 . A A . 27 ASN HB3 1 1 4 3262 1 1 27 ASN HD21 H 6.694 -2.425 -8.448 1.00 . A A . 27 ASN HD21 1 1 4 3263 1 1 27 ASN HD22 H 5.791 -2.696 -9.896 1.00 . A A . 27 ASN HD22 1 1 4 3264 1 1 27 ASN N N 5.448 -5.204 -6.300 1.00 . A A . 27 ASN N 1 1 4 3265 1 1 27 ASN ND2 N 5.865 -2.652 -8.920 1.00 . A A . 27 ASN ND2 1 1 4 3266 1 1 27 ASN O O 7.444 -3.289 -4.367 1.00 . A A . 27 ASN O 1 1 4 3267 1 1 27 ASN OD1 O 3.701 -3.208 -8.706 1.00 . A A . 27 ASN OD1 1 1 4 3268 1 1 28 LEU C C 6.509 -4.222 -1.861 1.00 . A A . 28 LEU C 1 1 4 3269 1 1 28 LEU CA C 5.446 -3.304 -2.456 1.00 . A A . 28 LEU CA 1 1 4 3270 1 1 28 LEU CB C 4.123 -3.460 -1.703 1.00 . A A . 28 LEU CB 1 1 4 3271 1 1 28 LEU CD1 C 3.771 -5.773 -0.813 1.00 . A A . 28 LEU CD1 1 1 4 3272 1 1 28 LEU CD2 C 1.901 -4.585 -1.970 1.00 . A A . 28 LEU CD2 1 1 4 3273 1 1 28 LEU CG C 3.407 -4.792 -1.916 1.00 . A A . 28 LEU CG 1 1 4 3274 1 1 28 LEU H H 4.387 -3.787 -4.220 1.00 . A A . 28 LEU H 1 1 4 3275 1 1 28 LEU HA H 5.778 -2.288 -2.364 1.00 . A A . 28 LEU HA 1 1 4 3276 1 1 28 LEU HB2 H 4.320 -3.346 -0.647 1.00 . A A . 28 LEU HB2 1 1 4 3277 1 1 28 LEU HB3 H 3.461 -2.667 -2.016 1.00 . A A . 28 LEU HB3 1 1 4 3278 1 1 28 LEU HD11 H 3.264 -5.496 0.099 1.00 . A A . 28 LEU HD11 1 1 4 3279 1 1 28 LEU HD12 H 4.840 -5.755 -0.651 1.00 . A A . 28 LEU HD12 1 1 4 3280 1 1 28 LEU HD13 H 3.469 -6.768 -1.105 1.00 . A A . 28 LEU HD13 1 1 4 3281 1 1 28 LEU HD21 H 1.465 -5.295 -2.657 1.00 . A A . 28 LEU HD21 1 1 4 3282 1 1 28 LEU HD22 H 1.687 -3.581 -2.306 1.00 . A A . 28 LEU HD22 1 1 4 3283 1 1 28 LEU HD23 H 1.481 -4.733 -0.986 1.00 . A A . 28 LEU HD23 1 1 4 3284 1 1 28 LEU HG H 3.723 -5.213 -2.858 1.00 . A A . 28 LEU HG 1 1 4 3285 1 1 28 LEU N N 5.272 -3.575 -3.875 1.00 . A A . 28 LEU N 1 1 4 3286 1 1 28 LEU O O 7.136 -3.894 -0.853 1.00 . A A . 28 LEU O 1 1 4 3287 1 1 29 ARG C C 9.090 -5.782 -2.140 1.00 . A A . 29 ARG C 1 1 4 3288 1 1 29 ARG CA C 7.686 -6.340 -2.044 1.00 . A A . 29 ARG CA 1 1 4 3289 1 1 29 ARG CB C 7.578 -7.628 -2.866 1.00 . A A . 29 ARG CB 1 1 4 3290 1 1 29 ARG CD C 5.627 -8.292 -1.422 1.00 . A A . 29 ARG CD 1 1 4 3291 1 1 29 ARG CG C 6.874 -8.766 -2.147 1.00 . A A . 29 ARG CG 1 1 4 3292 1 1 29 ARG CZ C 6.029 -9.314 0.783 1.00 . A A . 29 ARG CZ 1 1 4 3293 1 1 29 ARG H H 6.177 -5.578 -3.286 1.00 . A A . 29 ARG H 1 1 4 3294 1 1 29 ARG HA H 7.477 -6.549 -1.024 1.00 . A A . 29 ARG HA 1 1 4 3295 1 1 29 ARG HB2 H 7.031 -7.415 -3.773 1.00 . A A . 29 ARG HB2 1 1 4 3296 1 1 29 ARG HB3 H 8.572 -7.959 -3.128 1.00 . A A . 29 ARG HB3 1 1 4 3297 1 1 29 ARG HD2 H 5.373 -7.306 -1.778 1.00 . A A . 29 ARG HD2 1 1 4 3298 1 1 29 ARG HD3 H 4.817 -8.973 -1.641 1.00 . A A . 29 ARG HD3 1 1 4 3299 1 1 29 ARG HE H 5.806 -7.358 0.452 1.00 . A A . 29 ARG HE 1 1 4 3300 1 1 29 ARG HG2 H 6.590 -9.510 -2.873 1.00 . A A . 29 ARG HG2 1 1 4 3301 1 1 29 ARG HG3 H 7.554 -9.199 -1.431 1.00 . A A . 29 ARG HG3 1 1 4 3302 1 1 29 ARG HH11 H 5.929 -10.634 -0.747 1.00 . A A . 29 ARG HH11 1 1 4 3303 1 1 29 ARG HH12 H 6.213 -11.327 0.814 1.00 . A A . 29 ARG HH12 1 1 4 3304 1 1 29 ARG HH21 H 6.180 -8.269 2.507 1.00 . A A . 29 ARG HH21 1 1 4 3305 1 1 29 ARG HH22 H 6.355 -9.985 2.661 1.00 . A A . 29 ARG HH22 1 1 4 3306 1 1 29 ARG N N 6.706 -5.373 -2.496 1.00 . A A . 29 ARG N 1 1 4 3307 1 1 29 ARG NE N 5.825 -8.240 0.024 1.00 . A A . 29 ARG NE 1 1 4 3308 1 1 29 ARG NH1 N 6.059 -10.524 0.238 1.00 . A A . 29 ARG NH1 1 1 4 3309 1 1 29 ARG NH2 N 6.202 -9.178 2.091 1.00 . A A . 29 ARG NH2 1 1 4 3310 1 1 29 ARG O O 9.845 -5.795 -1.169 1.00 . A A . 29 ARG O 1 1 4 3311 1 1 30 ALA C C 11.080 -3.704 -2.441 1.00 . A A . 30 ALA C 1 1 4 3312 1 1 30 ALA CA C 10.745 -4.707 -3.538 1.00 . A A . 30 ALA CA 1 1 4 3313 1 1 30 ALA CB C 10.809 -4.046 -4.908 1.00 . A A . 30 ALA CB 1 1 4 3314 1 1 30 ALA H H 8.779 -5.299 -4.042 1.00 . A A . 30 ALA H 1 1 4 3315 1 1 30 ALA HA H 11.463 -5.507 -3.514 1.00 . A A . 30 ALA HA 1 1 4 3316 1 1 30 ALA HB1 H 10.966 -2.984 -4.791 1.00 . A A . 30 ALA HB1 1 1 4 3317 1 1 30 ALA HB2 H 9.881 -4.217 -5.434 1.00 . A A . 30 ALA HB2 1 1 4 3318 1 1 30 ALA HB3 H 11.625 -4.470 -5.474 1.00 . A A . 30 ALA HB3 1 1 4 3319 1 1 30 ALA N N 9.430 -5.284 -3.315 1.00 . A A . 30 ALA N 1 1 4 3320 1 1 30 ALA O O 12.248 -3.454 -2.143 1.00 . A A . 30 ALA O 1 1 4 3321 1 1 31 GLN C C 10.456 -2.876 0.566 1.00 . A A . 31 GLN C 1 1 4 3322 1 1 31 GLN CA C 10.201 -2.175 -0.762 1.00 . A A . 31 GLN CA 1 1 4 3323 1 1 31 GLN CB C 8.969 -1.271 -0.663 1.00 . A A . 31 GLN CB 1 1 4 3324 1 1 31 GLN CD C 8.040 0.535 -2.164 1.00 . A A . 31 GLN CD 1 1 4 3325 1 1 31 GLN CG C 8.347 -0.940 -2.009 1.00 . A A . 31 GLN CG 1 1 4 3326 1 1 31 GLN H H 9.131 -3.401 -2.114 1.00 . A A . 31 GLN H 1 1 4 3327 1 1 31 GLN HA H 11.060 -1.566 -0.995 1.00 . A A . 31 GLN HA 1 1 4 3328 1 1 31 GLN HB2 H 8.223 -1.762 -0.057 1.00 . A A . 31 GLN HB2 1 1 4 3329 1 1 31 GLN HB3 H 9.255 -0.344 -0.187 1.00 . A A . 31 GLN HB3 1 1 4 3330 1 1 31 GLN HE21 H 9.811 0.832 -3.021 1.00 . A A . 31 GLN HE21 1 1 4 3331 1 1 31 GLN HE22 H 8.808 2.237 -2.846 1.00 . A A . 31 GLN HE22 1 1 4 3332 1 1 31 GLN HG2 H 9.033 -1.232 -2.790 1.00 . A A . 31 GLN HG2 1 1 4 3333 1 1 31 GLN HG3 H 7.429 -1.497 -2.112 1.00 . A A . 31 GLN HG3 1 1 4 3334 1 1 31 GLN N N 10.038 -3.143 -1.838 1.00 . A A . 31 GLN N 1 1 4 3335 1 1 31 GLN NE2 N 8.981 1.276 -2.734 1.00 . A A . 31 GLN NE2 1 1 4 3336 1 1 31 GLN O O 11.565 -2.839 1.098 1.00 . A A . 31 GLN O 1 1 4 3337 1 1 31 GLN OE1 O 6.970 1.003 -1.775 1.00 . A A . 31 GLN OE1 1 1 4 3338 1 1 32 GLN C C 10.174 -3.363 3.449 1.00 . A A . 32 GLN C 1 1 4 3339 1 1 32 GLN CA C 9.512 -4.222 2.372 1.00 . A A . 32 GLN CA 1 1 4 3340 1 1 32 GLN CB C 10.286 -5.519 2.183 1.00 . A A . 32 GLN CB 1 1 4 3341 1 1 32 GLN CD C 9.216 -7.785 1.875 1.00 . A A . 32 GLN CD 1 1 4 3342 1 1 32 GLN CG C 9.637 -6.713 2.861 1.00 . A A . 32 GLN CG 1 1 4 3343 1 1 32 GLN H H 8.558 -3.508 0.630 1.00 . A A . 32 GLN H 1 1 4 3344 1 1 32 GLN HA H 8.508 -4.461 2.692 1.00 . A A . 32 GLN HA 1 1 4 3345 1 1 32 GLN HB2 H 10.355 -5.725 1.125 1.00 . A A . 32 GLN HB2 1 1 4 3346 1 1 32 GLN HB3 H 11.278 -5.394 2.585 1.00 . A A . 32 GLN HB3 1 1 4 3347 1 1 32 GLN HE21 H 8.124 -6.461 0.872 1.00 . A A . 32 GLN HE21 1 1 4 3348 1 1 32 GLN HE22 H 8.115 -8.070 0.245 1.00 . A A . 32 GLN HE22 1 1 4 3349 1 1 32 GLN HG2 H 10.340 -7.142 3.559 1.00 . A A . 32 GLN HG2 1 1 4 3350 1 1 32 GLN HG3 H 8.762 -6.372 3.394 1.00 . A A . 32 GLN HG3 1 1 4 3351 1 1 32 GLN N N 9.414 -3.513 1.102 1.00 . A A . 32 GLN N 1 1 4 3352 1 1 32 GLN NE2 N 8.403 -7.401 0.899 1.00 . A A . 32 GLN NE2 1 1 4 3353 1 1 32 GLN O O 10.655 -3.876 4.460 1.00 . A A . 32 GLN O 1 1 4 3354 1 1 32 GLN OE1 O 9.617 -8.943 1.990 1.00 . A A . 32 GLN OE1 1 1 4 3355 1 1 33 GLY C C 9.947 0.115 4.349 1.00 . A A . 33 GLY C 1 1 4 3356 1 1 33 GLY CA C 10.781 -1.138 4.182 1.00 . A A . 33 GLY CA 1 1 4 3357 1 1 33 GLY H H 9.784 -1.704 2.407 1.00 . A A . 33 GLY H 1 1 4 3358 1 1 33 GLY HA2 H 10.868 -1.633 5.138 1.00 . A A . 33 GLY HA2 1 1 4 3359 1 1 33 GLY HA3 H 11.766 -0.860 3.838 1.00 . A A . 33 GLY HA3 1 1 4 3360 1 1 33 GLY N N 10.188 -2.054 3.227 1.00 . A A . 33 GLY N 1 1 4 3361 1 1 33 GLY O O 9.154 0.222 5.284 1.00 . A A . 33 GLY O 1 1 4 3362 1 1 34 CYS C C 7.875 2.018 3.363 1.00 . A A . 34 CYS C 1 1 4 3363 1 1 34 CYS CA C 9.363 2.302 3.468 1.00 . A A . 34 CYS CA 1 1 4 3364 1 1 34 CYS CB C 9.798 3.218 2.337 1.00 . A A . 34 CYS CB 1 1 4 3365 1 1 34 CYS H H 10.753 0.915 2.707 1.00 . A A . 34 CYS H 1 1 4 3366 1 1 34 CYS HA H 9.562 2.775 4.394 1.00 . A A . 34 CYS HA 1 1 4 3367 1 1 34 CYS HB2 H 10.851 3.071 2.147 1.00 . A A . 34 CYS HB2 1 1 4 3368 1 1 34 CYS HB3 H 9.241 2.953 1.465 1.00 . A A . 34 CYS HB3 1 1 4 3369 1 1 34 CYS N N 10.116 1.060 3.430 1.00 . A A . 34 CYS N 1 1 4 3370 1 1 34 CYS O O 7.047 2.711 3.951 1.00 . A A . 34 CYS O 1 1 4 3371 1 1 34 CYS SG S 9.525 4.993 2.647 1.00 . A A . 34 CYS SG 1 1 4 3372 1 1 35 PHE C C 5.488 0.298 3.734 1.00 . A A . 35 PHE C 1 1 4 3373 1 1 35 PHE CA C 6.175 0.558 2.401 1.00 . A A . 35 PHE CA 1 1 4 3374 1 1 35 PHE CB C 6.163 -0.696 1.514 1.00 . A A . 35 PHE CB 1 1 4 3375 1 1 35 PHE CD1 C 5.841 -2.717 2.967 1.00 . A A . 35 PHE CD1 1 1 4 3376 1 1 35 PHE CD2 C 4.041 -2.045 1.554 1.00 . A A . 35 PHE CD2 1 1 4 3377 1 1 35 PHE CE1 C 5.086 -3.776 3.432 1.00 . A A . 35 PHE CE1 1 1 4 3378 1 1 35 PHE CE2 C 3.281 -3.102 2.016 1.00 . A A . 35 PHE CE2 1 1 4 3379 1 1 35 PHE CG C 5.328 -1.840 2.025 1.00 . A A . 35 PHE CG 1 1 4 3380 1 1 35 PHE CZ C 3.804 -3.969 2.956 1.00 . A A . 35 PHE CZ 1 1 4 3381 1 1 35 PHE H H 8.276 0.478 2.175 1.00 . A A . 35 PHE H 1 1 4 3382 1 1 35 PHE HA H 5.658 1.351 1.898 1.00 . A A . 35 PHE HA 1 1 4 3383 1 1 35 PHE HB2 H 5.791 -0.431 0.537 1.00 . A A . 35 PHE HB2 1 1 4 3384 1 1 35 PHE HB3 H 7.178 -1.051 1.419 1.00 . A A . 35 PHE HB3 1 1 4 3385 1 1 35 PHE HD1 H 6.842 -2.566 3.342 1.00 . A A . 35 PHE HD1 1 1 4 3386 1 1 35 PHE HD2 H 3.632 -1.368 0.819 1.00 . A A . 35 PHE HD2 1 1 4 3387 1 1 35 PHE HE1 H 5.500 -4.454 4.164 1.00 . A A . 35 PHE HE1 1 1 4 3388 1 1 35 PHE HE2 H 2.280 -3.251 1.641 1.00 . A A . 35 PHE HE2 1 1 4 3389 1 1 35 PHE HZ H 3.211 -4.797 3.318 1.00 . A A . 35 PHE HZ 1 1 4 3390 1 1 35 PHE N N 7.555 0.980 2.607 1.00 . A A . 35 PHE N 1 1 4 3391 1 1 35 PHE O O 4.359 0.731 3.966 1.00 . A A . 35 PHE O 1 1 4 3392 1 1 36 CYS C C 5.467 0.522 6.759 1.00 . A A . 36 CYS C 1 1 4 3393 1 1 36 CYS CA C 5.669 -0.739 5.922 1.00 . A A . 36 CYS CA 1 1 4 3394 1 1 36 CYS CB C 6.619 -1.697 6.642 1.00 . A A . 36 CYS CB 1 1 4 3395 1 1 36 CYS H H 7.079 -0.716 4.338 1.00 . A A . 36 CYS H 1 1 4 3396 1 1 36 CYS HA H 4.713 -1.225 5.790 1.00 . A A . 36 CYS HA 1 1 4 3397 1 1 36 CYS HB2 H 7.037 -2.386 5.924 1.00 . A A . 36 CYS HB2 1 1 4 3398 1 1 36 CYS HB3 H 7.418 -1.127 7.094 1.00 . A A . 36 CYS HB3 1 1 4 3399 1 1 36 CYS N N 6.187 -0.409 4.599 1.00 . A A . 36 CYS N 1 1 4 3400 1 1 36 CYS O O 4.370 0.783 7.252 1.00 . A A . 36 CYS O 1 1 4 3401 1 1 36 CYS SG S 5.828 -2.681 7.956 1.00 . A A . 36 CYS SG 1 1 4 3402 1 1 37 GLN C C 5.579 3.560 7.037 1.00 . A A . 37 GLN C 1 1 4 3403 1 1 37 GLN CA C 6.479 2.524 7.700 1.00 . A A . 37 GLN CA 1 1 4 3404 1 1 37 GLN CB C 7.883 3.101 7.904 1.00 . A A . 37 GLN CB 1 1 4 3405 1 1 37 GLN CD C 10.005 3.970 6.847 1.00 . A A . 37 GLN CD 1 1 4 3406 1 1 37 GLN CG C 8.662 3.301 6.614 1.00 . A A . 37 GLN CG 1 1 4 3407 1 1 37 GLN H H 7.377 1.038 6.512 1.00 . A A . 37 GLN H 1 1 4 3408 1 1 37 GLN HA H 6.067 2.271 8.656 1.00 . A A . 37 GLN HA 1 1 4 3409 1 1 37 GLN HB2 H 7.795 4.057 8.396 1.00 . A A . 37 GLN HB2 1 1 4 3410 1 1 37 GLN HB3 H 8.444 2.431 8.537 1.00 . A A . 37 GLN HB3 1 1 4 3411 1 1 37 GLN HE21 H 10.320 4.100 4.885 1.00 . A A . 37 GLN HE21 1 1 4 3412 1 1 37 GLN HE22 H 11.573 4.733 5.889 1.00 . A A . 37 GLN HE22 1 1 4 3413 1 1 37 GLN HG2 H 8.831 2.338 6.158 1.00 . A A . 37 GLN HG2 1 1 4 3414 1 1 37 GLN HG3 H 8.079 3.919 5.947 1.00 . A A . 37 GLN HG3 1 1 4 3415 1 1 37 GLN N N 6.535 1.298 6.921 1.00 . A A . 37 GLN N 1 1 4 3416 1 1 37 GLN NE2 N 10.702 4.301 5.764 1.00 . A A . 37 GLN NE2 1 1 4 3417 1 1 37 GLN O O 5.060 4.459 7.698 1.00 . A A . 37 GLN O 1 1 4 3418 1 1 37 GLN OE1 O 10.412 4.187 7.988 1.00 . A A . 37 GLN OE1 1 1 4 3419 1 1 38 TYR C C 3.126 4.355 5.531 1.00 . A A . 38 TYR C 1 1 4 3420 1 1 38 TYR CA C 4.549 4.346 4.977 1.00 . A A . 38 TYR CA 1 1 4 3421 1 1 38 TYR CB C 4.529 3.960 3.494 1.00 . A A . 38 TYR CB 1 1 4 3422 1 1 38 TYR CD1 C 5.585 6.167 2.848 1.00 . A A . 38 TYR CD1 1 1 4 3423 1 1 38 TYR CD2 C 6.142 4.234 1.570 1.00 . A A . 38 TYR CD2 1 1 4 3424 1 1 38 TYR CE1 C 6.410 6.937 2.051 1.00 . A A . 38 TYR CE1 1 1 4 3425 1 1 38 TYR CE2 C 6.970 4.998 0.769 1.00 . A A . 38 TYR CE2 1 1 4 3426 1 1 38 TYR CG C 5.436 4.804 2.622 1.00 . A A . 38 TYR CG 1 1 4 3427 1 1 38 TYR CZ C 7.100 6.348 1.014 1.00 . A A . 38 TYR CZ 1 1 4 3428 1 1 38 TYR H H 5.832 2.685 5.259 1.00 . A A . 38 TYR H 1 1 4 3429 1 1 38 TYR HA H 4.968 5.335 5.079 1.00 . A A . 38 TYR HA 1 1 4 3430 1 1 38 TYR HB2 H 4.841 2.931 3.395 1.00 . A A . 38 TYR HB2 1 1 4 3431 1 1 38 TYR HB3 H 3.521 4.060 3.118 1.00 . A A . 38 TYR HB3 1 1 4 3432 1 1 38 TYR HD1 H 5.045 6.626 3.661 1.00 . A A . 38 TYR HD1 1 1 4 3433 1 1 38 TYR HD2 H 6.038 3.177 1.379 1.00 . A A . 38 TYR HD2 1 1 4 3434 1 1 38 TYR HE1 H 6.512 7.995 2.244 1.00 . A A . 38 TYR HE1 1 1 4 3435 1 1 38 TYR HE2 H 7.510 4.536 -0.044 1.00 . A A . 38 TYR HE2 1 1 4 3436 1 1 38 TYR HH H 7.814 6.850 -0.699 1.00 . A A . 38 TYR HH 1 1 4 3437 1 1 38 TYR N N 5.394 3.424 5.729 1.00 . A A . 38 TYR N 1 1 4 3438 1 1 38 TYR O O 2.356 5.280 5.275 1.00 . A A . 38 TYR O 1 1 4 3439 1 1 38 TYR OH O 7.922 7.112 0.218 1.00 . A A . 38 TYR OH 1 1 4 3440 1 1 39 ALA C C 1.047 4.456 7.637 1.00 . A A . 39 ALA C 1 1 4 3441 1 1 39 ALA CA C 1.451 3.196 6.875 1.00 . A A . 39 ALA CA 1 1 4 3442 1 1 39 ALA CB C 1.390 1.987 7.793 1.00 . A A . 39 ALA CB 1 1 4 3443 1 1 39 ALA H H 3.434 2.604 6.452 1.00 . A A . 39 ALA H 1 1 4 3444 1 1 39 ALA HA H 0.756 3.038 6.072 1.00 . A A . 39 ALA HA 1 1 4 3445 1 1 39 ALA HB1 H 1.705 2.273 8.786 1.00 . A A . 39 ALA HB1 1 1 4 3446 1 1 39 ALA HB2 H 2.043 1.215 7.416 1.00 . A A . 39 ALA HB2 1 1 4 3447 1 1 39 ALA HB3 H 0.377 1.615 7.831 1.00 . A A . 39 ALA HB3 1 1 4 3448 1 1 39 ALA N N 2.781 3.314 6.289 1.00 . A A . 39 ALA N 1 1 4 3449 1 1 39 ALA O O -0.140 4.714 7.839 1.00 . A A . 39 ALA O 1 1 4 3450 1 1 40 LYS C C 1.811 7.683 7.908 1.00 . A A . 40 LYS C 1 1 4 3451 1 1 40 LYS CA C 1.774 6.457 8.814 1.00 . A A . 40 LYS CA 1 1 4 3452 1 1 40 LYS CB C 2.793 6.614 9.944 1.00 . A A . 40 LYS CB 1 1 4 3453 1 1 40 LYS CD C 2.014 6.413 12.327 1.00 . A A . 40 LYS CD 1 1 4 3454 1 1 40 LYS CE C 3.320 6.027 13.001 1.00 . A A . 40 LYS CE 1 1 4 3455 1 1 40 LYS CG C 2.248 7.354 11.156 1.00 . A A . 40 LYS CG 1 1 4 3456 1 1 40 LYS H H 2.960 4.970 7.880 1.00 . A A . 40 LYS H 1 1 4 3457 1 1 40 LYS HA H 0.790 6.375 9.242 1.00 . A A . 40 LYS HA 1 1 4 3458 1 1 40 LYS HB2 H 3.116 5.633 10.261 1.00 . A A . 40 LYS HB2 1 1 4 3459 1 1 40 LYS HB3 H 3.646 7.160 9.570 1.00 . A A . 40 LYS HB3 1 1 4 3460 1 1 40 LYS HD2 H 1.380 6.905 13.050 1.00 . A A . 40 LYS HD2 1 1 4 3461 1 1 40 LYS HD3 H 1.526 5.519 11.966 1.00 . A A . 40 LYS HD3 1 1 4 3462 1 1 40 LYS HE2 H 3.867 5.366 12.344 1.00 . A A . 40 LYS HE2 1 1 4 3463 1 1 40 LYS HE3 H 3.899 6.922 13.174 1.00 . A A . 40 LYS HE3 1 1 4 3464 1 1 40 LYS HG2 H 2.959 8.111 11.452 1.00 . A A . 40 LYS HG2 1 1 4 3465 1 1 40 LYS HG3 H 1.312 7.822 10.888 1.00 . A A . 40 LYS HG3 1 1 4 3466 1 1 40 LYS HZ1 H 3.804 4.591 14.439 1.00 . A A . 40 LYS HZ1 1 1 4 3467 1 1 40 LYS HZ2 H 2.147 4.905 14.315 1.00 . A A . 40 LYS HZ2 1 1 4 3468 1 1 40 LYS HZ3 H 3.162 6.018 15.084 1.00 . A A . 40 LYS HZ3 1 1 4 3469 1 1 40 LYS N N 2.035 5.231 8.066 1.00 . A A . 40 LYS N 1 1 4 3470 1 1 40 LYS NZ N 3.092 5.337 14.300 1.00 . A A . 40 LYS NZ 1 1 4 3471 1 1 40 LYS O O 1.208 8.711 8.215 1.00 . A A . 40 LYS O 1 1 4 3472 1 1 41 ASP C C 1.267 9.122 5.351 1.00 . A A . 41 ASP C 1 1 4 3473 1 1 41 ASP CA C 2.643 8.668 5.843 1.00 . A A . 41 ASP CA 1 1 4 3474 1 1 41 ASP CB C 3.508 8.242 4.656 1.00 . A A . 41 ASP CB 1 1 4 3475 1 1 41 ASP CG C 3.653 9.338 3.617 1.00 . A A . 41 ASP CG 1 1 4 3476 1 1 41 ASP H H 2.981 6.724 6.608 1.00 . A A . 41 ASP H 1 1 4 3477 1 1 41 ASP HA H 3.124 9.491 6.348 1.00 . A A . 41 ASP HA 1 1 4 3478 1 1 41 ASP HB2 H 4.495 7.982 5.014 1.00 . A A . 41 ASP HB2 1 1 4 3479 1 1 41 ASP HB3 H 3.059 7.378 4.183 1.00 . A A . 41 ASP HB3 1 1 4 3480 1 1 41 ASP N N 2.523 7.568 6.794 1.00 . A A . 41 ASP N 1 1 4 3481 1 1 41 ASP O O 0.605 8.410 4.596 1.00 . A A . 41 ASP O 1 1 4 3482 1 1 41 ASP OD1 O 2.740 9.483 2.776 1.00 . A A . 41 ASP OD1 1 1 4 3483 1 1 41 ASP OD2 O 4.678 10.050 3.644 1.00 . A A . 41 ASP OD2 1 1 4 3484 1 1 42 PRO C C -0.416 11.671 4.085 1.00 . A A . 42 PRO C 1 1 4 3485 1 1 42 PRO CA C -0.482 10.859 5.378 1.00 . A A . 42 PRO CA 1 1 4 3486 1 1 42 PRO CB C -0.827 11.762 6.556 1.00 . A A . 42 PRO CB 1 1 4 3487 1 1 42 PRO CD C 1.527 11.240 6.680 1.00 . A A . 42 PRO CD 1 1 4 3488 1 1 42 PRO CG C 0.491 12.286 7.026 1.00 . A A . 42 PRO CG 1 1 4 3489 1 1 42 PRO HA H -1.227 10.084 5.283 1.00 . A A . 42 PRO HA 1 1 4 3490 1 1 42 PRO HB2 H -1.476 12.560 6.225 1.00 . A A . 42 PRO HB2 1 1 4 3491 1 1 42 PRO HB3 H -1.318 11.185 7.325 1.00 . A A . 42 PRO HB3 1 1 4 3492 1 1 42 PRO HD2 H 2.368 11.696 6.179 1.00 . A A . 42 PRO HD2 1 1 4 3493 1 1 42 PRO HD3 H 1.854 10.727 7.572 1.00 . A A . 42 PRO HD3 1 1 4 3494 1 1 42 PRO HG2 H 0.715 13.213 6.520 1.00 . A A . 42 PRO HG2 1 1 4 3495 1 1 42 PRO HG3 H 0.461 12.442 8.094 1.00 . A A . 42 PRO HG3 1 1 4 3496 1 1 42 PRO N N 0.815 10.318 5.774 1.00 . A A . 42 PRO N 1 1 4 3497 1 1 42 PRO O O -1.446 12.042 3.523 1.00 . A A . 42 PRO O 1 1 4 3498 1 1 43 THR C C 0.183 12.150 1.238 1.00 . A A . 43 THR C 1 1 4 3499 1 1 43 THR CA C 0.995 12.725 2.396 1.00 . A A . 43 THR CA 1 1 4 3500 1 1 43 THR CB C 2.479 12.772 2.021 1.00 . A A . 43 THR CB 1 1 4 3501 1 1 43 THR CG2 C 3.069 14.165 2.088 1.00 . A A . 43 THR CG2 1 1 4 3502 1 1 43 THR H H 1.585 11.633 4.112 1.00 . A A . 43 THR H 1 1 4 3503 1 1 43 THR HA H 0.656 13.731 2.588 1.00 . A A . 43 THR HA 1 1 4 3504 1 1 43 THR HB H 2.594 12.415 1.009 1.00 . A A . 43 THR HB 1 1 4 3505 1 1 43 THR HG1 H 3.364 12.370 3.725 1.00 . A A . 43 THR HG1 1 1 4 3506 1 1 43 THR HG21 H 3.007 14.629 1.115 1.00 . A A . 43 THR HG21 1 1 4 3507 1 1 43 THR HG22 H 4.103 14.104 2.393 1.00 . A A . 43 THR HG22 1 1 4 3508 1 1 43 THR HG23 H 2.516 14.756 2.804 1.00 . A A . 43 THR HG23 1 1 4 3509 1 1 43 THR N N 0.801 11.950 3.620 1.00 . A A . 43 THR N 1 1 4 3510 1 1 43 THR O O -0.203 12.874 0.320 1.00 . A A . 43 THR O 1 1 4 3511 1 1 43 THR OG1 O 3.245 11.938 2.876 1.00 . A A . 43 THR OG1 1 1 4 3512 1 1 44 TYR C C -2.290 10.659 0.238 1.00 . A A . 44 TYR C 1 1 4 3513 1 1 44 TYR CA C -0.840 10.184 0.236 1.00 . A A . 44 TYR CA 1 1 4 3514 1 1 44 TYR CB C -0.785 8.666 0.414 1.00 . A A . 44 TYR CB 1 1 4 3515 1 1 44 TYR CD1 C 1.498 8.532 -0.656 1.00 . A A . 44 TYR CD1 1 1 4 3516 1 1 44 TYR CD2 C 1.045 7.119 1.210 1.00 . A A . 44 TYR CD2 1 1 4 3517 1 1 44 TYR CE1 C 2.776 8.012 -0.745 1.00 . A A . 44 TYR CE1 1 1 4 3518 1 1 44 TYR CE2 C 2.321 6.595 1.128 1.00 . A A . 44 TYR CE2 1 1 4 3519 1 1 44 TYR CG C 0.612 8.095 0.321 1.00 . A A . 44 TYR CG 1 1 4 3520 1 1 44 TYR CZ C 3.182 7.044 0.149 1.00 . A A . 44 TYR CZ 1 1 4 3521 1 1 44 TYR H H 0.260 10.319 2.040 1.00 . A A . 44 TYR H 1 1 4 3522 1 1 44 TYR HA H -0.392 10.442 -0.713 1.00 . A A . 44 TYR HA 1 1 4 3523 1 1 44 TYR HB2 H -1.184 8.410 1.384 1.00 . A A . 44 TYR HB2 1 1 4 3524 1 1 44 TYR HB3 H -1.386 8.200 -0.352 1.00 . A A . 44 TYR HB3 1 1 4 3525 1 1 44 TYR HD1 H 1.177 9.291 -1.354 1.00 . A A . 44 TYR HD1 1 1 4 3526 1 1 44 TYR HD2 H 0.369 6.769 1.976 1.00 . A A . 44 TYR HD2 1 1 4 3527 1 1 44 TYR HE1 H 3.450 8.364 -1.511 1.00 . A A . 44 TYR HE1 1 1 4 3528 1 1 44 TYR HE2 H 2.639 5.837 1.829 1.00 . A A . 44 TYR HE2 1 1 4 3529 1 1 44 TYR HH H 5.072 7.224 -0.157 1.00 . A A . 44 TYR HH 1 1 4 3530 1 1 44 TYR N N -0.074 10.847 1.285 1.00 . A A . 44 TYR N 1 1 4 3531 1 1 44 TYR O O -2.780 11.190 -0.758 1.00 . A A . 44 TYR O 1 1 4 3532 1 1 44 TYR OH O 4.453 6.524 0.064 1.00 . A A . 44 TYR OH 1 1 4 3533 1 1 45 GLY C C -5.299 9.725 1.731 1.00 . A A . 45 GLY C 1 1 4 3534 1 1 45 GLY CA C -4.357 10.885 1.473 1.00 . A A . 45 GLY CA 1 1 4 3535 1 1 45 GLY H H -2.528 10.040 2.127 1.00 . A A . 45 GLY H 1 1 4 3536 1 1 45 GLY HA2 H -4.445 11.593 2.284 1.00 . A A . 45 GLY HA2 1 1 4 3537 1 1 45 GLY HA3 H -4.648 11.372 0.553 1.00 . A A . 45 GLY HA3 1 1 4 3538 1 1 45 GLY N N -2.971 10.467 1.364 1.00 . A A . 45 GLY N 1 1 4 3539 1 1 45 GLY O O -5.941 9.222 0.809 1.00 . A A . 45 GLY O 1 1 4 3540 1 1 46 GLN C C -5.900 6.934 2.591 1.00 . A A . 46 GLN C 1 1 4 3541 1 1 46 GLN CA C -6.254 8.196 3.368 1.00 . A A . 46 GLN CA 1 1 4 3542 1 1 46 GLN CB C -7.703 8.577 3.107 1.00 . A A . 46 GLN CB 1 1 4 3543 1 1 46 GLN CD C -9.844 7.237 3.082 1.00 . A A . 46 GLN CD 1 1 4 3544 1 1 46 GLN CG C -8.705 7.777 3.924 1.00 . A A . 46 GLN CG 1 1 4 3545 1 1 46 GLN H H -4.851 9.742 3.674 1.00 . A A . 46 GLN H 1 1 4 3546 1 1 46 GLN HA H -6.120 8.010 4.422 1.00 . A A . 46 GLN HA 1 1 4 3547 1 1 46 GLN HB2 H -7.826 9.623 3.343 1.00 . A A . 46 GLN HB2 1 1 4 3548 1 1 46 GLN HB3 H -7.915 8.425 2.061 1.00 . A A . 46 GLN HB3 1 1 4 3549 1 1 46 GLN HE21 H -8.552 6.560 1.727 1.00 . A A . 46 GLN HE21 1 1 4 3550 1 1 46 GLN HE22 H -10.229 6.267 1.386 1.00 . A A . 46 GLN HE22 1 1 4 3551 1 1 46 GLN HG2 H -8.192 6.945 4.384 1.00 . A A . 46 GLN HG2 1 1 4 3552 1 1 46 GLN HG3 H -9.115 8.415 4.692 1.00 . A A . 46 GLN HG3 1 1 4 3553 1 1 46 GLN N N -5.383 9.301 2.988 1.00 . A A . 46 GLN N 1 1 4 3554 1 1 46 GLN NE2 N -9.508 6.626 1.952 1.00 . A A . 46 GLN NE2 1 1 4 3555 1 1 46 GLN O O -6.723 6.033 2.431 1.00 . A A . 46 GLN O 1 1 4 3556 1 1 46 GLN OE1 O -11.014 7.366 3.443 1.00 . A A . 46 GLN OE1 1 1 4 3557 1 1 47 TYR C C -4.113 4.500 2.195 1.00 . A A . 47 TYR C 1 1 4 3558 1 1 47 TYR CA C -4.185 5.756 1.333 1.00 . A A . 47 TYR CA 1 1 4 3559 1 1 47 TYR CB C -2.809 6.070 0.774 1.00 . A A . 47 TYR CB 1 1 4 3560 1 1 47 TYR CD1 C -2.864 5.807 -1.724 1.00 . A A . 47 TYR CD1 1 1 4 3561 1 1 47 TYR CD2 C -1.764 4.126 -0.443 1.00 . A A . 47 TYR CD2 1 1 4 3562 1 1 47 TYR CE1 C -2.558 5.128 -2.888 1.00 . A A . 47 TYR CE1 1 1 4 3563 1 1 47 TYR CE2 C -1.452 3.441 -1.601 1.00 . A A . 47 TYR CE2 1 1 4 3564 1 1 47 TYR CG C -2.474 5.317 -0.487 1.00 . A A . 47 TYR CG 1 1 4 3565 1 1 47 TYR CZ C -1.851 3.945 -2.821 1.00 . A A . 47 TYR CZ 1 1 4 3566 1 1 47 TYR H H -4.070 7.644 2.264 1.00 . A A . 47 TYR H 1 1 4 3567 1 1 47 TYR HA H -4.858 5.587 0.521 1.00 . A A . 47 TYR HA 1 1 4 3568 1 1 47 TYR HB2 H -2.744 7.128 0.560 1.00 . A A . 47 TYR HB2 1 1 4 3569 1 1 47 TYR HB3 H -2.080 5.808 1.514 1.00 . A A . 47 TYR HB3 1 1 4 3570 1 1 47 TYR HD1 H -3.418 6.735 -1.768 1.00 . A A . 47 TYR HD1 1 1 4 3571 1 1 47 TYR HD2 H -1.455 3.735 0.515 1.00 . A A . 47 TYR HD2 1 1 4 3572 1 1 47 TYR HE1 H -2.871 5.524 -3.842 1.00 . A A . 47 TYR HE1 1 1 4 3573 1 1 47 TYR HE2 H -0.899 2.515 -1.548 1.00 . A A . 47 TYR HE2 1 1 4 3574 1 1 47 TYR HH H -1.629 2.322 -3.826 1.00 . A A . 47 TYR HH 1 1 4 3575 1 1 47 TYR N N -4.669 6.889 2.105 1.00 . A A . 47 TYR N 1 1 4 3576 1 1 47 TYR O O -4.678 3.462 1.851 1.00 . A A . 47 TYR O 1 1 4 3577 1 1 47 TYR OH O -1.541 3.266 -3.976 1.00 . A A . 47 TYR OH 1 1 4 3578 1 1 48 ILE C C -4.534 3.171 4.968 1.00 . A A . 48 ILE C 1 1 4 3579 1 1 48 ILE CA C -3.238 3.486 4.227 1.00 . A A . 48 ILE CA 1 1 4 3580 1 1 48 ILE CB C -2.124 3.767 5.254 1.00 . A A . 48 ILE CB 1 1 4 3581 1 1 48 ILE CD1 C -0.177 3.039 3.777 1.00 . A A . 48 ILE CD1 1 1 4 3582 1 1 48 ILE CG1 C -0.835 4.174 4.535 1.00 . A A . 48 ILE CG1 1 1 4 3583 1 1 48 ILE CG2 C -1.888 2.548 6.137 1.00 . A A . 48 ILE CG2 1 1 4 3584 1 1 48 ILE H H -2.971 5.457 3.524 1.00 . A A . 48 ILE H 1 1 4 3585 1 1 48 ILE HA H -2.950 2.625 3.645 1.00 . A A . 48 ILE HA 1 1 4 3586 1 1 48 ILE HB H -2.446 4.580 5.887 1.00 . A A . 48 ILE HB 1 1 4 3587 1 1 48 ILE HD11 H -0.744 2.828 2.882 1.00 . A A . 48 ILE HD11 1 1 4 3588 1 1 48 ILE HD12 H -0.149 2.157 4.400 1.00 . A A . 48 ILE HD12 1 1 4 3589 1 1 48 ILE HD13 H 0.829 3.322 3.507 1.00 . A A . 48 ILE HD13 1 1 4 3590 1 1 48 ILE HG12 H -1.059 4.957 3.827 1.00 . A A . 48 ILE HG12 1 1 4 3591 1 1 48 ILE HG13 H -0.127 4.544 5.261 1.00 . A A . 48 ILE HG13 1 1 4 3592 1 1 48 ILE HG21 H -1.086 2.755 6.830 1.00 . A A . 48 ILE HG21 1 1 4 3593 1 1 48 ILE HG22 H -1.621 1.703 5.519 1.00 . A A . 48 ILE HG22 1 1 4 3594 1 1 48 ILE HG23 H -2.790 2.322 6.686 1.00 . A A . 48 ILE HG23 1 1 4 3595 1 1 48 ILE N N -3.403 4.605 3.313 1.00 . A A . 48 ILE N 1 1 4 3596 1 1 48 ILE O O -4.846 2.007 5.218 1.00 . A A . 48 ILE O 1 1 4 3597 1 1 49 ARG C C -7.689 3.656 5.108 1.00 . A A . 49 ARG C 1 1 4 3598 1 1 49 ARG CA C -6.544 4.028 6.043 1.00 . A A . 49 ARG CA 1 1 4 3599 1 1 49 ARG CB C -6.900 5.289 6.833 1.00 . A A . 49 ARG CB 1 1 4 3600 1 1 49 ARG CD C -5.902 7.359 7.851 1.00 . A A . 49 ARG CD 1 1 4 3601 1 1 49 ARG CG C -5.734 5.865 7.620 1.00 . A A . 49 ARG CG 1 1 4 3602 1 1 49 ARG CZ C -5.741 8.972 9.707 1.00 . A A . 49 ARG CZ 1 1 4 3603 1 1 49 ARG H H -4.986 5.117 5.102 1.00 . A A . 49 ARG H 1 1 4 3604 1 1 49 ARG HA H -6.401 3.214 6.727 1.00 . A A . 49 ARG HA 1 1 4 3605 1 1 49 ARG HB2 H -7.249 6.044 6.144 1.00 . A A . 49 ARG HB2 1 1 4 3606 1 1 49 ARG HB3 H -7.693 5.053 7.526 1.00 . A A . 49 ARG HB3 1 1 4 3607 1 1 49 ARG HD2 H -5.231 7.889 7.193 1.00 . A A . 49 ARG HD2 1 1 4 3608 1 1 49 ARG HD3 H -6.921 7.634 7.623 1.00 . A A . 49 ARG HD3 1 1 4 3609 1 1 49 ARG HE H -5.293 7.032 9.836 1.00 . A A . 49 ARG HE 1 1 4 3610 1 1 49 ARG HG2 H -5.677 5.368 8.577 1.00 . A A . 49 ARG HG2 1 1 4 3611 1 1 49 ARG HG3 H -4.821 5.696 7.069 1.00 . A A . 49 ARG HG3 1 1 4 3612 1 1 49 ARG HH11 H -6.382 9.765 7.960 1.00 . A A . 49 ARG HH11 1 1 4 3613 1 1 49 ARG HH12 H -6.262 10.879 9.280 1.00 . A A . 49 ARG HH12 1 1 4 3614 1 1 49 ARG HH21 H -5.132 8.496 11.574 1.00 . A A . 49 ARG HH21 1 1 4 3615 1 1 49 ARG HH22 H -5.552 10.159 11.332 1.00 . A A . 49 ARG HH22 1 1 4 3616 1 1 49 ARG N N -5.285 4.210 5.324 1.00 . A A . 49 ARG N 1 1 4 3617 1 1 49 ARG NE N -5.607 7.736 9.232 1.00 . A A . 49 ARG NE 1 1 4 3618 1 1 49 ARG NH1 N -6.163 9.952 8.917 1.00 . A A . 49 ARG NH1 1 1 4 3619 1 1 49 ARG NH2 N -5.451 9.230 10.975 1.00 . A A . 49 ARG NH2 1 1 4 3620 1 1 49 ARG O O -8.858 3.890 5.417 1.00 . A A . 49 ARG O 1 1 4 3621 1 1 50 SER C C -8.955 1.304 3.406 1.00 . A A . 50 SER C 1 1 4 3622 1 1 50 SER CA C -8.341 2.642 3.003 1.00 . A A . 50 SER CA 1 1 4 3623 1 1 50 SER CB C -7.712 2.536 1.625 1.00 . A A . 50 SER CB 1 1 4 3624 1 1 50 SER H H -6.407 2.893 3.799 1.00 . A A . 50 SER H 1 1 4 3625 1 1 50 SER HA H -9.115 3.382 2.972 1.00 . A A . 50 SER HA 1 1 4 3626 1 1 50 SER HB2 H -6.882 3.225 1.553 1.00 . A A . 50 SER HB2 1 1 4 3627 1 1 50 SER HB3 H -7.364 1.533 1.486 1.00 . A A . 50 SER HB3 1 1 4 3628 1 1 50 SER HG H -8.296 3.531 0.042 1.00 . A A . 50 SER HG 1 1 4 3629 1 1 50 SER N N -7.349 3.065 3.977 1.00 . A A . 50 SER N 1 1 4 3630 1 1 50 SER O O -8.333 0.521 4.124 1.00 . A A . 50 SER O 1 1 4 3631 1 1 50 SER OG O -8.651 2.841 0.608 1.00 . A A . 50 SER OG 1 1 4 3632 1 1 51 PRO C C -10.368 -1.379 2.350 1.00 . A A . 51 PRO C 1 1 4 3633 1 1 51 PRO CA C -10.851 -0.241 3.242 1.00 . A A . 51 PRO CA 1 1 4 3634 1 1 51 PRO CB C -12.332 0.060 2.983 1.00 . A A . 51 PRO CB 1 1 4 3635 1 1 51 PRO CD C -10.983 1.866 2.053 1.00 . A A . 51 PRO CD 1 1 4 3636 1 1 51 PRO CG C -12.385 1.328 2.181 1.00 . A A . 51 PRO CG 1 1 4 3637 1 1 51 PRO HA H -10.714 -0.519 4.278 1.00 . A A . 51 PRO HA 1 1 4 3638 1 1 51 PRO HB2 H -12.772 -0.762 2.438 1.00 . A A . 51 PRO HB2 1 1 4 3639 1 1 51 PRO HB3 H -12.842 0.176 3.928 1.00 . A A . 51 PRO HB3 1 1 4 3640 1 1 51 PRO HD2 H -10.645 1.780 1.031 1.00 . A A . 51 PRO HD2 1 1 4 3641 1 1 51 PRO HD3 H -10.946 2.896 2.376 1.00 . A A . 51 PRO HD3 1 1 4 3642 1 1 51 PRO HG2 H -12.786 1.120 1.199 1.00 . A A . 51 PRO HG2 1 1 4 3643 1 1 51 PRO HG3 H -13.012 2.047 2.688 1.00 . A A . 51 PRO HG3 1 1 4 3644 1 1 51 PRO N N -10.179 1.012 2.937 1.00 . A A . 51 PRO N 1 1 4 3645 1 1 51 PRO O O -10.191 -2.511 2.800 1.00 . A A . 51 PRO O 1 1 4 3646 1 1 52 HIS C C -8.217 -2.254 0.155 1.00 . A A . 52 HIS C 1 1 4 3647 1 1 52 HIS CA C -9.725 -2.038 0.088 1.00 . A A . 52 HIS CA 1 1 4 3648 1 1 52 HIS CB C -10.133 -1.586 -1.320 1.00 . A A . 52 HIS CB 1 1 4 3649 1 1 52 HIS CD2 C -12.412 -0.611 -0.552 1.00 . A A . 52 HIS CD2 1 1 4 3650 1 1 52 HIS CE1 C -12.536 1.073 -1.945 1.00 . A A . 52 HIS CE1 1 1 4 3651 1 1 52 HIS CG C -11.304 -0.647 -1.330 1.00 . A A . 52 HIS CG 1 1 4 3652 1 1 52 HIS H H -10.341 -0.142 0.789 1.00 . A A . 52 HIS H 1 1 4 3653 1 1 52 HIS HA H -10.212 -2.970 0.308 1.00 . A A . 52 HIS HA 1 1 4 3654 1 1 52 HIS HB2 H -9.299 -1.081 -1.785 1.00 . A A . 52 HIS HB2 1 1 4 3655 1 1 52 HIS HB3 H -10.396 -2.453 -1.908 1.00 . A A . 52 HIS HB3 1 1 4 3656 1 1 52 HIS HD1 H -10.764 0.667 -2.886 1.00 . A A . 52 HIS HD1 1 1 4 3657 1 1 52 HIS HD2 H -12.650 -1.290 0.253 1.00 . A A . 52 HIS HD2 1 1 4 3658 1 1 52 HIS HE1 H -12.878 1.960 -2.450 1.00 . A A . 52 HIS HE1 1 1 4 3659 1 1 52 HIS HE2 H -13.981 0.781 -0.526 1.00 . A A . 52 HIS HE2 1 1 4 3660 1 1 52 HIS N N -10.172 -1.062 1.076 1.00 . A A . 52 HIS N 1 1 4 3661 1 1 52 HIS ND1 N -11.413 0.421 -2.195 1.00 . A A . 52 HIS ND1 1 1 4 3662 1 1 52 HIS NE2 N -13.159 0.464 -0.956 1.00 . A A . 52 HIS NE2 1 1 4 3663 1 1 52 HIS O O -7.721 -3.341 -0.143 1.00 . A A . 52 HIS O 1 1 4 3664 1 1 53 ALA C C -5.590 -2.437 1.505 1.00 . A A . 53 ALA C 1 1 4 3665 1 1 53 ALA CA C -6.042 -1.275 0.634 1.00 . A A . 53 ALA CA 1 1 4 3666 1 1 53 ALA CB C -5.486 0.035 1.171 1.00 . A A . 53 ALA CB 1 1 4 3667 1 1 53 ALA H H -7.951 -0.375 0.752 1.00 . A A . 53 ALA H 1 1 4 3668 1 1 53 ALA HA H -5.659 -1.418 -0.355 1.00 . A A . 53 ALA HA 1 1 4 3669 1 1 53 ALA HB1 H -4.410 -0.028 1.229 1.00 . A A . 53 ALA HB1 1 1 4 3670 1 1 53 ALA HB2 H -5.889 0.220 2.156 1.00 . A A . 53 ALA HB2 1 1 4 3671 1 1 53 ALA HB3 H -5.765 0.842 0.510 1.00 . A A . 53 ALA HB3 1 1 4 3672 1 1 53 ALA N N -7.495 -1.211 0.537 1.00 . A A . 53 ALA N 1 1 4 3673 1 1 53 ALA O O -4.633 -3.140 1.180 1.00 . A A . 53 ALA O 1 1 4 3674 1 1 54 ARG C C -6.216 -5.056 2.906 1.00 . A A . 54 ARG C 1 1 4 3675 1 1 54 ARG CA C -5.972 -3.692 3.542 1.00 . A A . 54 ARG CA 1 1 4 3676 1 1 54 ARG CB C -6.801 -3.518 4.819 1.00 . A A . 54 ARG CB 1 1 4 3677 1 1 54 ARG CD C -7.858 -4.601 6.817 1.00 . A A . 54 ARG CD 1 1 4 3678 1 1 54 ARG CG C -7.275 -4.821 5.433 1.00 . A A . 54 ARG CG 1 1 4 3679 1 1 54 ARG CZ C -10.097 -4.274 7.792 1.00 . A A . 54 ARG CZ 1 1 4 3680 1 1 54 ARG H H -7.028 -2.036 2.810 1.00 . A A . 54 ARG H 1 1 4 3681 1 1 54 ARG HA H -4.935 -3.608 3.786 1.00 . A A . 54 ARG HA 1 1 4 3682 1 1 54 ARG HB2 H -6.202 -3.000 5.553 1.00 . A A . 54 ARG HB2 1 1 4 3683 1 1 54 ARG HB3 H -7.669 -2.918 4.590 1.00 . A A . 54 ARG HB3 1 1 4 3684 1 1 54 ARG HD2 H -7.784 -5.522 7.376 1.00 . A A . 54 ARG HD2 1 1 4 3685 1 1 54 ARG HD3 H -7.286 -3.832 7.315 1.00 . A A . 54 ARG HD3 1 1 4 3686 1 1 54 ARG HE H -9.591 -3.832 5.912 1.00 . A A . 54 ARG HE 1 1 4 3687 1 1 54 ARG HG2 H -8.032 -5.248 4.795 1.00 . A A . 54 ARG HG2 1 1 4 3688 1 1 54 ARG HG3 H -6.435 -5.496 5.504 1.00 . A A . 54 ARG HG3 1 1 4 3689 1 1 54 ARG HH11 H -8.734 -5.053 9.067 1.00 . A A . 54 ARG HH11 1 1 4 3690 1 1 54 ARG HH12 H -10.316 -4.813 9.728 1.00 . A A . 54 ARG HH12 1 1 4 3691 1 1 54 ARG HH21 H -11.673 -3.515 6.781 1.00 . A A . 54 ARG HH21 1 1 4 3692 1 1 54 ARG HH22 H -11.985 -3.940 8.431 1.00 . A A . 54 ARG HH22 1 1 4 3693 1 1 54 ARG N N -6.286 -2.628 2.612 1.00 . A A . 54 ARG N 1 1 4 3694 1 1 54 ARG NE N -9.258 -4.190 6.762 1.00 . A A . 54 ARG NE 1 1 4 3695 1 1 54 ARG NH1 N -9.681 -4.753 8.958 1.00 . A A . 54 ARG NH1 1 1 4 3696 1 1 54 ARG NH2 N -11.355 -3.877 7.657 1.00 . A A . 54 ARG NH2 1 1 4 3697 1 1 54 ARG O O -5.546 -6.035 3.233 1.00 . A A . 54 ARG O 1 1 4 3698 1 1 55 ASP C C -6.406 -6.741 0.346 1.00 . A A . 55 ASP C 1 1 4 3699 1 1 55 ASP CA C -7.512 -6.346 1.309 1.00 . A A . 55 ASP CA 1 1 4 3700 1 1 55 ASP CB C -8.826 -6.202 0.559 1.00 . A A . 55 ASP CB 1 1 4 3701 1 1 55 ASP CG C -9.526 -7.531 0.354 1.00 . A A . 55 ASP CG 1 1 4 3702 1 1 55 ASP H H -7.671 -4.294 1.781 1.00 . A A . 55 ASP H 1 1 4 3703 1 1 55 ASP HA H -7.616 -7.110 2.041 1.00 . A A . 55 ASP HA 1 1 4 3704 1 1 55 ASP HB2 H -9.484 -5.547 1.113 1.00 . A A . 55 ASP HB2 1 1 4 3705 1 1 55 ASP HB3 H -8.621 -5.775 -0.404 1.00 . A A . 55 ASP HB3 1 1 4 3706 1 1 55 ASP N N -7.178 -5.108 1.996 1.00 . A A . 55 ASP N 1 1 4 3707 1 1 55 ASP O O -6.056 -7.915 0.224 1.00 . A A . 55 ASP O 1 1 4 3708 1 1 55 ASP OD1 O -9.012 -8.358 -0.429 1.00 . A A . 55 ASP OD1 1 1 4 3709 1 1 55 ASP OD2 O -10.587 -7.745 0.976 1.00 . A A . 55 ASP OD2 1 1 4 3710 1 1 56 THR C C -3.592 -6.631 -0.620 1.00 . A A . 56 THR C 1 1 4 3711 1 1 56 THR CA C -4.788 -5.962 -1.286 1.00 . A A . 56 THR CA 1 1 4 3712 1 1 56 THR CB C -4.367 -4.642 -1.910 1.00 . A A . 56 THR CB 1 1 4 3713 1 1 56 THR CG2 C -3.719 -4.798 -3.269 1.00 . A A . 56 THR CG2 1 1 4 3714 1 1 56 THR H H -6.186 -4.841 -0.182 1.00 . A A . 56 THR H 1 1 4 3715 1 1 56 THR HA H -5.160 -6.599 -2.056 1.00 . A A . 56 THR HA 1 1 4 3716 1 1 56 THR HB H -3.658 -4.176 -1.259 1.00 . A A . 56 THR HB 1 1 4 3717 1 1 56 THR HG1 H -5.172 -2.865 -2.087 1.00 . A A . 56 THR HG1 1 1 4 3718 1 1 56 THR HG21 H -4.480 -4.779 -4.035 1.00 . A A . 56 THR HG21 1 1 4 3719 1 1 56 THR HG22 H -3.190 -5.739 -3.310 1.00 . A A . 56 THR HG22 1 1 4 3720 1 1 56 THR HG23 H -3.024 -3.987 -3.432 1.00 . A A . 56 THR HG23 1 1 4 3721 1 1 56 THR N N -5.859 -5.746 -0.331 1.00 . A A . 56 THR N 1 1 4 3722 1 1 56 THR O O -3.060 -7.620 -1.126 1.00 . A A . 56 THR O 1 1 4 3723 1 1 56 THR OG1 O -5.477 -3.775 -2.057 1.00 . A A . 56 THR OG1 1 1 4 3724 1 1 57 LEU C C -2.295 -8.075 1.645 1.00 . A A . 57 LEU C 1 1 4 3725 1 1 57 LEU CA C -2.042 -6.629 1.252 1.00 . A A . 57 LEU CA 1 1 4 3726 1 1 57 LEU CB C -1.756 -5.781 2.489 1.00 . A A . 57 LEU CB 1 1 4 3727 1 1 57 LEU CD1 C -0.959 -3.403 2.460 1.00 . A A . 57 LEU CD1 1 1 4 3728 1 1 57 LEU CD2 C 0.488 -5.189 3.444 1.00 . A A . 57 LEU CD2 1 1 4 3729 1 1 57 LEU CG C -0.541 -4.862 2.372 1.00 . A A . 57 LEU CG 1 1 4 3730 1 1 57 LEU H H -3.633 -5.300 0.870 1.00 . A A . 57 LEU H 1 1 4 3731 1 1 57 LEU HA H -1.197 -6.592 0.608 1.00 . A A . 57 LEU HA 1 1 4 3732 1 1 57 LEU HB2 H -2.623 -5.171 2.677 1.00 . A A . 57 LEU HB2 1 1 4 3733 1 1 57 LEU HB3 H -1.603 -6.442 3.330 1.00 . A A . 57 LEU HB3 1 1 4 3734 1 1 57 LEU HD11 H -0.344 -2.812 1.798 1.00 . A A . 57 LEU HD11 1 1 4 3735 1 1 57 LEU HD12 H -0.835 -3.053 3.475 1.00 . A A . 57 LEU HD12 1 1 4 3736 1 1 57 LEU HD13 H -1.995 -3.307 2.170 1.00 . A A . 57 LEU HD13 1 1 4 3737 1 1 57 LEU HD21 H 1.000 -6.104 3.185 1.00 . A A . 57 LEU HD21 1 1 4 3738 1 1 57 LEU HD22 H -0.009 -5.312 4.395 1.00 . A A . 57 LEU HD22 1 1 4 3739 1 1 57 LEU HD23 H 1.203 -4.383 3.513 1.00 . A A . 57 LEU HD23 1 1 4 3740 1 1 57 LEU HG H -0.083 -5.018 1.411 1.00 . A A . 57 LEU HG 1 1 4 3741 1 1 57 LEU N N -3.173 -6.086 0.518 1.00 . A A . 57 LEU N 1 1 4 3742 1 1 57 LEU O O -1.470 -8.955 1.396 1.00 . A A . 57 LEU O 1 1 4 3743 1 1 58 THR C C -3.906 -10.581 1.483 1.00 . A A . 58 THR C 1 1 4 3744 1 1 58 THR CA C -3.824 -9.647 2.680 1.00 . A A . 58 THR CA 1 1 4 3745 1 1 58 THR CB C -5.161 -9.617 3.421 1.00 . A A . 58 THR CB 1 1 4 3746 1 1 58 THR CG2 C -5.461 -10.900 4.166 1.00 . A A . 58 THR CG2 1 1 4 3747 1 1 58 THR H H -4.051 -7.569 2.415 1.00 . A A . 58 THR H 1 1 4 3748 1 1 58 THR HA H -3.057 -10.004 3.343 1.00 . A A . 58 THR HA 1 1 4 3749 1 1 58 THR HB H -5.955 -9.457 2.705 1.00 . A A . 58 THR HB 1 1 4 3750 1 1 58 THR HG1 H -4.370 -8.551 4.861 1.00 . A A . 58 THR HG1 1 1 4 3751 1 1 58 THR HG21 H -6.468 -10.863 4.555 1.00 . A A . 58 THR HG21 1 1 4 3752 1 1 58 THR HG22 H -4.763 -11.015 4.982 1.00 . A A . 58 THR HG22 1 1 4 3753 1 1 58 THR HG23 H -5.367 -11.738 3.491 1.00 . A A . 58 THR HG23 1 1 4 3754 1 1 58 THR N N -3.444 -8.311 2.253 1.00 . A A . 58 THR N 1 1 4 3755 1 1 58 THR O O -3.400 -11.702 1.522 1.00 . A A . 58 THR O 1 1 4 3756 1 1 58 THR OG1 O -5.190 -8.558 4.361 1.00 . A A . 58 THR OG1 1 1 4 3757 1 1 59 SER C C -3.281 -11.421 -1.208 1.00 . A A . 59 SER C 1 1 4 3758 1 1 59 SER CA C -4.644 -10.884 -0.809 1.00 . A A . 59 SER CA 1 1 4 3759 1 1 59 SER CB C -5.207 -10.021 -1.920 1.00 . A A . 59 SER CB 1 1 4 3760 1 1 59 SER H H -4.890 -9.197 0.423 1.00 . A A . 59 SER H 1 1 4 3761 1 1 59 SER HA H -5.307 -11.697 -0.625 1.00 . A A . 59 SER HA 1 1 4 3762 1 1 59 SER HB2 H -5.907 -9.315 -1.502 1.00 . A A . 59 SER HB2 1 1 4 3763 1 1 59 SER HB3 H -4.397 -9.495 -2.381 1.00 . A A . 59 SER HB3 1 1 4 3764 1 1 59 SER HG H -5.341 -10.820 -3.703 1.00 . A A . 59 SER HG 1 1 4 3765 1 1 59 SER N N -4.525 -10.103 0.407 1.00 . A A . 59 SER N 1 1 4 3766 1 1 59 SER O O -3.158 -12.502 -1.785 1.00 . A A . 59 SER O 1 1 4 3767 1 1 59 SER OG O -5.865 -10.805 -2.900 1.00 . A A . 59 SER OG 1 1 4 3768 1 1 60 CYS C C -0.405 -12.064 -0.180 1.00 . A A . 60 CYS C 1 1 4 3769 1 1 60 CYS CA C -0.889 -11.000 -1.160 1.00 . A A . 60 CYS CA 1 1 4 3770 1 1 60 CYS CB C -0.018 -9.751 -1.062 1.00 . A A . 60 CYS CB 1 1 4 3771 1 1 60 CYS H H -2.440 -9.803 -0.408 1.00 . A A . 60 CYS H 1 1 4 3772 1 1 60 CYS HA H -0.842 -11.392 -2.165 1.00 . A A . 60 CYS HA 1 1 4 3773 1 1 60 CYS HB2 H -0.646 -8.877 -1.163 1.00 . A A . 60 CYS HB2 1 1 4 3774 1 1 60 CYS HB3 H 0.456 -9.732 -0.094 1.00 . A A . 60 CYS HB3 1 1 4 3775 1 1 60 CYS N N -2.261 -10.644 -0.874 1.00 . A A . 60 CYS N 1 1 4 3776 1 1 60 CYS O O 0.312 -12.991 -0.558 1.00 . A A . 60 CYS O 1 1 4 3777 1 1 60 CYS SG S 1.281 -9.643 -2.335 1.00 . A A . 60 CYS SG 1 1 4 3778 1 1 61 GLY C C 1.026 -12.740 2.530 1.00 . A A . 61 GLY C 1 1 4 3779 1 1 61 GLY CA C -0.420 -12.891 2.094 1.00 . A A . 61 GLY CA 1 1 4 3780 1 1 61 GLY H H -1.392 -11.172 1.326 1.00 . A A . 61 GLY H 1 1 4 3781 1 1 61 GLY HA2 H -1.057 -12.766 2.957 1.00 . A A . 61 GLY HA2 1 1 4 3782 1 1 61 GLY HA3 H -0.561 -13.887 1.700 1.00 . A A . 61 GLY HA3 1 1 4 3783 1 1 61 GLY N N -0.813 -11.929 1.082 1.00 . A A . 61 GLY N 1 1 4 3784 1 1 61 GLY O O 1.793 -13.702 2.491 1.00 . A A . 61 GLY O 1 1 4 3785 1 1 62 LEU C C 2.760 -10.732 4.837 1.00 . A A . 62 LEU C 1 1 4 3786 1 1 62 LEU CA C 2.762 -11.279 3.413 1.00 . A A . 62 LEU CA 1 1 4 3787 1 1 62 LEU CB C 3.493 -10.301 2.479 1.00 . A A . 62 LEU CB 1 1 4 3788 1 1 62 LEU CD1 C 3.158 -8.422 0.847 1.00 . A A . 62 LEU CD1 1 1 4 3789 1 1 62 LEU CD2 C 2.826 -10.797 0.118 1.00 . A A . 62 LEU CD2 1 1 4 3790 1 1 62 LEU CG C 2.693 -9.809 1.270 1.00 . A A . 62 LEU CG 1 1 4 3791 1 1 62 LEU H H 0.741 -10.809 2.975 1.00 . A A . 62 LEU H 1 1 4 3792 1 1 62 LEU HA H 3.290 -12.222 3.411 1.00 . A A . 62 LEU HA 1 1 4 3793 1 1 62 LEU HB2 H 3.795 -9.439 3.056 1.00 . A A . 62 LEU HB2 1 1 4 3794 1 1 62 LEU HB3 H 4.384 -10.791 2.114 1.00 . A A . 62 LEU HB3 1 1 4 3795 1 1 62 LEU HD11 H 2.338 -7.725 0.936 1.00 . A A . 62 LEU HD11 1 1 4 3796 1 1 62 LEU HD12 H 3.494 -8.451 -0.179 1.00 . A A . 62 LEU HD12 1 1 4 3797 1 1 62 LEU HD13 H 3.972 -8.102 1.481 1.00 . A A . 62 LEU HD13 1 1 4 3798 1 1 62 LEU HD21 H 3.316 -10.315 -0.716 1.00 . A A . 62 LEU HD21 1 1 4 3799 1 1 62 LEU HD22 H 1.847 -11.130 -0.186 1.00 . A A . 62 LEU HD22 1 1 4 3800 1 1 62 LEU HD23 H 3.412 -11.647 0.436 1.00 . A A . 62 LEU HD23 1 1 4 3801 1 1 62 LEU HG H 1.648 -9.740 1.538 1.00 . A A . 62 LEU HG 1 1 4 3802 1 1 62 LEU N N 1.398 -11.537 2.958 1.00 . A A . 62 LEU N 1 1 4 3803 1 1 62 LEU O O 2.986 -11.470 5.796 1.00 . A A . 62 LEU O 1 1 4 3804 1 1 63 ALA C C 1.525 -7.605 6.287 1.00 . A A . 63 ALA C 1 1 4 3805 1 1 63 ALA CA C 2.477 -8.794 6.270 1.00 . A A . 63 ALA CA 1 1 4 3806 1 1 63 ALA CB C 3.877 -8.360 6.676 1.00 . A A . 63 ALA CB 1 1 4 3807 1 1 63 ALA H H 2.331 -8.899 4.170 1.00 . A A . 63 ALA H 1 1 4 3808 1 1 63 ALA HA H 2.134 -9.524 6.981 1.00 . A A . 63 ALA HA 1 1 4 3809 1 1 63 ALA HB1 H 4.284 -7.704 5.921 1.00 . A A . 63 ALA HB1 1 1 4 3810 1 1 63 ALA HB2 H 4.510 -9.230 6.775 1.00 . A A . 63 ALA HB2 1 1 4 3811 1 1 63 ALA HB3 H 3.833 -7.838 7.620 1.00 . A A . 63 ALA HB3 1 1 4 3812 1 1 63 ALA N N 2.506 -9.434 4.967 1.00 . A A . 63 ALA N 1 1 4 3813 1 1 63 ALA O O 1.059 -7.152 5.242 1.00 . A A . 63 ALA O 1 1 4 3814 1 1 64 VAL C C 1.143 -4.729 8.093 1.00 . A A . 64 VAL C 1 1 4 3815 1 1 64 VAL CA C 0.361 -5.967 7.654 1.00 . A A . 64 VAL CA 1 1 4 3816 1 1 64 VAL CB C -0.736 -6.276 8.693 1.00 . A A . 64 VAL CB 1 1 4 3817 1 1 64 VAL CG1 C -0.145 -6.385 10.091 1.00 . A A . 64 VAL CG1 1 1 4 3818 1 1 64 VAL CG2 C -1.832 -5.222 8.648 1.00 . A A . 64 VAL CG2 1 1 4 3819 1 1 64 VAL H H 1.645 -7.503 8.273 1.00 . A A . 64 VAL H 1 1 4 3820 1 1 64 VAL HA H -0.108 -5.775 6.709 1.00 . A A . 64 VAL HA 1 1 4 3821 1 1 64 VAL HB H -1.174 -7.230 8.442 1.00 . A A . 64 VAL HB 1 1 4 3822 1 1 64 VAL HG11 H 0.057 -5.396 10.475 1.00 . A A . 64 VAL HG11 1 1 4 3823 1 1 64 VAL HG12 H 0.775 -6.949 10.050 1.00 . A A . 64 VAL HG12 1 1 4 3824 1 1 64 VAL HG13 H -0.846 -6.887 10.741 1.00 . A A . 64 VAL HG13 1 1 4 3825 1 1 64 VAL HG21 H -2.522 -5.386 9.463 1.00 . A A . 64 VAL HG21 1 1 4 3826 1 1 64 VAL HG22 H -2.360 -5.291 7.709 1.00 . A A . 64 VAL HG22 1 1 4 3827 1 1 64 VAL HG23 H -1.391 -4.240 8.742 1.00 . A A . 64 VAL HG23 1 1 4 3828 1 1 64 VAL N N 1.246 -7.101 7.484 1.00 . A A . 64 VAL N 1 1 4 3829 1 1 64 VAL O O 2.031 -4.821 8.941 1.00 . A A . 64 VAL O 1 1 4 3830 1 1 65 PRO C C 1.414 -1.991 9.365 1.00 . A A . 65 PRO C 1 1 4 3831 1 1 65 PRO CA C 1.515 -2.303 7.876 1.00 . A A . 65 PRO CA 1 1 4 3832 1 1 65 PRO CB C 0.784 -1.236 7.047 1.00 . A A . 65 PRO CB 1 1 4 3833 1 1 65 PRO CD C -0.212 -3.331 6.509 1.00 . A A . 65 PRO CD 1 1 4 3834 1 1 65 PRO CG C -0.505 -1.867 6.655 1.00 . A A . 65 PRO CG 1 1 4 3835 1 1 65 PRO HA H 2.556 -2.334 7.588 1.00 . A A . 65 PRO HA 1 1 4 3836 1 1 65 PRO HB2 H 0.622 -0.356 7.650 1.00 . A A . 65 PRO HB2 1 1 4 3837 1 1 65 PRO HB3 H 1.376 -0.981 6.181 1.00 . A A . 65 PRO HB3 1 1 4 3838 1 1 65 PRO HD2 H -1.094 -3.917 6.718 1.00 . A A . 65 PRO HD2 1 1 4 3839 1 1 65 PRO HD3 H 0.163 -3.545 5.519 1.00 . A A . 65 PRO HD3 1 1 4 3840 1 1 65 PRO HG2 H -1.241 -1.705 7.428 1.00 . A A . 65 PRO HG2 1 1 4 3841 1 1 65 PRO HG3 H -0.846 -1.456 5.717 1.00 . A A . 65 PRO HG3 1 1 4 3842 1 1 65 PRO N N 0.828 -3.550 7.526 1.00 . A A . 65 PRO N 1 1 4 3843 1 1 65 PRO O O 1.140 -2.874 10.177 1.00 . A A . 65 PRO O 1 1 4 3844 1 1 66 HIS C C 2.620 -1.035 11.947 1.00 . A A . 66 HIS C 1 1 4 3845 1 1 66 HIS CA C 1.576 -0.303 11.110 1.00 . A A . 66 HIS CA 1 1 4 3846 1 1 66 HIS CB C 0.179 -0.551 11.682 1.00 . A A . 66 HIS CB 1 1 4 3847 1 1 66 HIS CD2 C -1.235 1.613 11.468 1.00 . A A . 66 HIS CD2 1 1 4 3848 1 1 66 HIS CE1 C -2.499 1.002 9.789 1.00 . A A . 66 HIS CE1 1 1 4 3849 1 1 66 HIS CG C -0.867 0.358 11.118 1.00 . A A . 66 HIS CG 1 1 4 3850 1 1 66 HIS H H 1.854 -0.074 9.026 1.00 . A A . 66 HIS H 1 1 4 3851 1 1 66 HIS HA H 1.786 0.756 11.141 1.00 . A A . 66 HIS HA 1 1 4 3852 1 1 66 HIS HB2 H -0.116 -1.567 11.467 1.00 . A A . 66 HIS HB2 1 1 4 3853 1 1 66 HIS HB3 H 0.204 -0.407 12.752 1.00 . A A . 66 HIS HB3 1 1 4 3854 1 1 66 HIS HD1 H -1.658 -0.851 9.584 1.00 . A A . 66 HIS HD1 1 1 4 3855 1 1 66 HIS HD2 H -0.809 2.207 12.261 1.00 . A A . 66 HIS HD2 1 1 4 3856 1 1 66 HIS HE1 H -3.247 1.008 9.014 1.00 . A A . 66 HIS HE1 1 1 4 3857 1 1 66 HIS HE2 H -2.780 2.811 10.705 1.00 . A A . 66 HIS HE2 1 1 4 3858 1 1 66 HIS N N 1.639 -0.731 9.718 1.00 . A A . 66 HIS N 1 1 4 3859 1 1 66 HIS ND1 N -1.680 0.004 10.063 1.00 . A A . 66 HIS ND1 1 1 4 3860 1 1 66 HIS NE2 N -2.251 1.989 10.627 1.00 . A A . 66 HIS NE2 1 1 4 3861 1 1 66 HIS O O 2.414 -1.288 13.134 1.00 . A A . 66 HIS O 1 1 4 3862 1 1 67 CYS C C 5.661 -1.110 12.830 1.00 . A A . 67 CYS C 1 1 4 3863 1 1 67 CYS CA C 4.821 -2.076 12.001 1.00 . A A . 67 CYS CA 1 1 4 3864 1 1 67 CYS CB C 5.708 -2.801 10.987 1.00 . A A . 67 CYS CB 1 1 4 3865 1 1 67 CYS H H 3.846 -1.143 10.371 1.00 . A A . 67 CYS H 1 1 4 3866 1 1 67 CYS HA H 4.376 -2.805 12.662 1.00 . A A . 67 CYS HA 1 1 4 3867 1 1 67 CYS HB2 H 6.551 -3.236 11.502 1.00 . A A . 67 CYS HB2 1 1 4 3868 1 1 67 CYS HB3 H 5.135 -3.588 10.517 1.00 . A A . 67 CYS HB3 1 1 4 3869 1 1 67 CYS N N 3.742 -1.373 11.318 1.00 . A A . 67 CYS N 1 1 4 3870 1 1 67 CYS O O 6.225 -0.164 12.242 1.00 . A A . 67 CYS O 1 1 4 3871 1 1 67 CYS OXT O 5.749 -1.309 14.060 1.00 . A A . 67 CYS OXT 1 1 4 3872 1 1 67 CYS SG S 6.361 -1.727 9.667 1.00 . A A . 67 CYS SG 1 1 4 3873 2 2 1 PGM C1 C -10.842 -0.905 15.792 1.00 . B A . 68 PGM C1 1 1 4 3874 2 2 1 PGM C2 C -9.992 -0.756 14.608 1.00 . B A . 68 PGM C2 1 1 4 3875 2 2 1 PGM C3 C -9.423 -2.035 14.177 1.00 . B A . 68 PGM C3 1 1 4 3876 2 2 1 PGM C7 C -6.326 -2.282 10.845 1.00 . B A . 68 PGM C7 1 1 4 3877 2 2 1 PGM C8 C -5.396 -1.890 9.783 1.00 . B A . 68 PGM C8 1 1 4 3878 2 2 1 PGM C9 C -6.077 -1.293 8.662 1.00 . B A . 68 PGM C9 1 1 4 3879 2 2 1 PGM CA C -5.186 -0.693 6.603 1.00 . B A . 68 PGM CA 1 1 4 3880 2 2 1 PGM CB C -4.124 -1.334 5.817 1.00 . B A . 68 PGM CB 1 1 4 3881 2 2 1 PGM CC C -3.212 -0.405 5.059 1.00 . B A . 68 PGM CC 1 1 4 3882 2 2 1 PGM CD C -2.825 -0.883 3.687 1.00 . B A . 68 PGM CD 1 1 4 3883 2 2 1 PGM CE C -2.257 0.187 2.805 1.00 . B A . 68 PGM CE 1 1 4 3884 2 2 1 PGM CF C -1.281 -0.310 1.781 1.00 . B A . 68 PGM CF 1 1 4 3885 2 2 1 PGM CG C -0.310 0.723 1.290 1.00 . B A . 68 PGM CG 1 1 4 3886 2 2 1 PGM CH C 1.085 0.237 1.084 1.00 . B A . 68 PGM CH 1 1 4 3887 2 2 1 PGM CI C 2.147 1.064 1.730 1.00 . B A . 68 PGM CI 1 1 4 3888 2 2 1 PGM CJ C 2.941 1.907 0.790 1.00 . B A . 68 PGM CJ 1 1 4 3889 2 2 1 PGM CK C 2.405 3.281 0.549 1.00 . B A . 68 PGM CK 1 1 4 3890 2 2 1 PGM CL C 1.641 3.453 -0.727 1.00 . B A . 68 PGM CL 1 1 4 3891 2 2 1 PGM CM C 2.059 4.615 -1.568 1.00 . B A . 68 PGM CM 1 1 4 3892 2 2 1 PGM CN C 0.943 5.482 -2.057 1.00 . B A . 68 PGM CN 1 1 4 3893 2 2 1 PGM CO C 1.249 6.285 -3.281 1.00 . B A . 68 PGM CO 1 1 4 3894 2 2 1 PGM CP C 0.226 7.332 -3.607 1.00 . B A . 68 PGM CP 1 1 4 3895 2 2 1 PGM O1 O -10.234 -0.256 16.881 1.00 . B A . 68 PGM O1 1 1 4 3896 2 2 1 PGM O2 O -10.757 -0.216 13.559 1.00 . B A . 68 PGM O2 1 1 4 3897 2 2 1 PGM O4 O -8.476 -1.780 13.131 1.00 . B A . 68 PGM O4 1 1 4 3898 2 2 1 PGM O5A O -6.494 -1.195 14.565 1.00 . B A . 68 PGM O5A 1 1 4 3899 2 2 1 PGM O5B O -6.706 -3.501 13.534 1.00 . B A . 68 PGM O5B 1 1 4 3900 2 2 1 PGM O6 O -6.163 -1.527 12.117 1.00 . B A . 68 PGM O6 1 1 4 3901 2 2 1 PGM O8 O -4.311 -1.074 10.150 1.00 . B A . 68 PGM O8 1 1 4 3902 2 2 1 PGM OQ1 O -6.144 -0.185 5.925 1.00 . B A . 68 PGM OQ1 1 1 4 3903 2 2 1 PGM OQ2 O -5.118 -0.553 7.786 1.00 . B A . 68 PGM OQ2 1 1 4 3904 2 2 1 PGM P5 P -6.922 -2.042 13.428 1.00 . B A . 68 PGM P5 1 1 5 3905 1 1 1 ALA C C 13.241 2.130 -3.890 1.00 . A A . 1 ALA C 1 1 5 3906 1 1 1 ALA CA C 14.748 2.357 -3.908 1.00 . A A . 1 ALA CA 1 1 5 3907 1 1 1 ALA CB C 15.068 3.803 -3.559 1.00 . A A . 1 ALA CB 1 1 5 3908 1 1 1 ALA H1 H 15.188 2.823 -5.862 1.00 . A A . 1 ALA H1 1 1 5 3909 1 1 1 ALA H2 H 14.820 1.170 -5.585 1.00 . A A . 1 ALA H2 1 1 5 3910 1 1 1 ALA H3 H 16.336 1.807 -5.094 1.00 . A A . 1 ALA H3 1 1 5 3911 1 1 1 ALA HA H 15.205 1.724 -3.160 1.00 . A A . 1 ALA HA 1 1 5 3912 1 1 1 ALA HB1 H 14.303 4.448 -3.963 1.00 . A A . 1 ALA HB1 1 1 5 3913 1 1 1 ALA HB2 H 16.025 4.072 -3.980 1.00 . A A . 1 ALA HB2 1 1 5 3914 1 1 1 ALA HB3 H 15.103 3.915 -2.485 1.00 . A A . 1 ALA HB3 1 1 5 3915 1 1 1 ALA N N 15.325 2.008 -5.232 1.00 . A A . 1 ALA N 1 1 5 3916 1 1 1 ALA O O 12.642 1.793 -4.911 1.00 . A A . 1 ALA O 1 1 5 3917 1 1 2 CYS C C 10.439 3.401 -2.964 1.00 . A A . 2 CYS C 1 1 5 3918 1 1 2 CYS CA C 11.194 2.133 -2.573 1.00 . A A . 2 CYS CA 1 1 5 3919 1 1 2 CYS CB C 10.855 1.741 -1.133 1.00 . A A . 2 CYS CB 1 1 5 3920 1 1 2 CYS H H 13.165 2.586 -1.945 1.00 . A A . 2 CYS H 1 1 5 3921 1 1 2 CYS HA H 10.894 1.333 -3.233 1.00 . A A . 2 CYS HA 1 1 5 3922 1 1 2 CYS HB2 H 9.782 1.726 -1.016 1.00 . A A . 2 CYS HB2 1 1 5 3923 1 1 2 CYS HB3 H 11.248 0.755 -0.934 1.00 . A A . 2 CYS HB3 1 1 5 3924 1 1 2 CYS N N 12.633 2.318 -2.723 1.00 . A A . 2 CYS N 1 1 5 3925 1 1 2 CYS O O 9.757 4.011 -2.141 1.00 . A A . 2 CYS O 1 1 5 3926 1 1 2 CYS SG S 11.530 2.871 0.128 1.00 . A A . 2 CYS SG 1 1 5 3927 1 1 3 GLN C C 8.384 4.820 -4.695 1.00 . A A . 3 GLN C 1 1 5 3928 1 1 3 GLN CA C 9.900 4.985 -4.734 1.00 . A A . 3 GLN CA 1 1 5 3929 1 1 3 GLN CB C 10.356 5.281 -6.164 1.00 . A A . 3 GLN CB 1 1 5 3930 1 1 3 GLN CD C 11.735 7.354 -6.596 1.00 . A A . 3 GLN CD 1 1 5 3931 1 1 3 GLN CG C 10.342 6.761 -6.513 1.00 . A A . 3 GLN CG 1 1 5 3932 1 1 3 GLN H H 11.126 3.263 -4.836 1.00 . A A . 3 GLN H 1 1 5 3933 1 1 3 GLN HA H 10.177 5.813 -4.099 1.00 . A A . 3 GLN HA 1 1 5 3934 1 1 3 GLN HB2 H 11.363 4.913 -6.292 1.00 . A A . 3 GLN HB2 1 1 5 3935 1 1 3 GLN HB3 H 9.703 4.765 -6.851 1.00 . A A . 3 GLN HB3 1 1 5 3936 1 1 3 GLN HE21 H 11.405 7.932 -8.470 1.00 . A A . 3 GLN HE21 1 1 5 3937 1 1 3 GLN HE22 H 12.962 8.318 -7.829 1.00 . A A . 3 GLN HE22 1 1 5 3938 1 1 3 GLN HG2 H 9.856 6.887 -7.468 1.00 . A A . 3 GLN HG2 1 1 5 3939 1 1 3 GLN HG3 H 9.785 7.291 -5.754 1.00 . A A . 3 GLN HG3 1 1 5 3940 1 1 3 GLN N N 10.568 3.791 -4.228 1.00 . A A . 3 GLN N 1 1 5 3941 1 1 3 GLN NE2 N 12.067 7.926 -7.748 1.00 . A A . 3 GLN NE2 1 1 5 3942 1 1 3 GLN O O 7.869 3.704 -4.760 1.00 . A A . 3 GLN O 1 1 5 3943 1 1 3 GLN OE1 O 12.503 7.301 -5.636 1.00 . A A . 3 GLN OE1 1 1 5 3944 1 1 4 ALA C C 5.628 5.419 -5.854 1.00 . A A . 4 ALA C 1 1 5 3945 1 1 4 ALA CA C 6.220 5.922 -4.541 1.00 . A A . 4 ALA CA 1 1 5 3946 1 1 4 ALA CB C 5.687 7.310 -4.215 1.00 . A A . 4 ALA CB 1 1 5 3947 1 1 4 ALA H H 8.144 6.798 -4.541 1.00 . A A . 4 ALA H 1 1 5 3948 1 1 4 ALA HA H 5.923 5.255 -3.746 1.00 . A A . 4 ALA HA 1 1 5 3949 1 1 4 ALA HB1 H 4.956 7.239 -3.424 1.00 . A A . 4 ALA HB1 1 1 5 3950 1 1 4 ALA HB2 H 5.225 7.735 -5.095 1.00 . A A . 4 ALA HB2 1 1 5 3951 1 1 4 ALA HB3 H 6.503 7.943 -3.896 1.00 . A A . 4 ALA HB3 1 1 5 3952 1 1 4 ALA N N 7.676 5.939 -4.589 1.00 . A A . 4 ALA N 1 1 5 3953 1 1 4 ALA O O 4.529 4.865 -5.878 1.00 . A A . 4 ALA O 1 1 5 3954 1 1 5 SER C C 5.559 3.695 -8.263 1.00 . A A . 5 SER C 1 1 5 3955 1 1 5 SER CA C 5.908 5.181 -8.263 1.00 . A A . 5 SER CA 1 1 5 3956 1 1 5 SER CB C 6.984 5.462 -9.313 1.00 . A A . 5 SER CB 1 1 5 3957 1 1 5 SER H H 7.230 6.062 -6.864 1.00 . A A . 5 SER H 1 1 5 3958 1 1 5 SER HA H 5.022 5.745 -8.510 1.00 . A A . 5 SER HA 1 1 5 3959 1 1 5 SER HB2 H 7.643 6.238 -8.952 1.00 . A A . 5 SER HB2 1 1 5 3960 1 1 5 SER HB3 H 7.554 4.561 -9.492 1.00 . A A . 5 SER HB3 1 1 5 3961 1 1 5 SER HG H 7.048 6.399 -11.032 1.00 . A A . 5 SER HG 1 1 5 3962 1 1 5 SER N N 6.362 5.614 -6.946 1.00 . A A . 5 SER N 1 1 5 3963 1 1 5 SER O O 4.720 3.244 -9.042 1.00 . A A . 5 SER O 1 1 5 3964 1 1 5 SER OG O 6.406 5.887 -10.535 1.00 . A A . 5 SER OG 1 1 5 3965 1 1 6 GLN C C 4.595 1.223 -6.687 1.00 . A A . 6 GLN C 1 1 5 3966 1 1 6 GLN CA C 5.971 1.511 -7.281 1.00 . A A . 6 GLN CA 1 1 5 3967 1 1 6 GLN CB C 7.055 0.855 -6.424 1.00 . A A . 6 GLN CB 1 1 5 3968 1 1 6 GLN CD C 9.431 0.007 -6.289 1.00 . A A . 6 GLN CD 1 1 5 3969 1 1 6 GLN CG C 8.391 0.715 -7.135 1.00 . A A . 6 GLN CG 1 1 5 3970 1 1 6 GLN H H 6.863 3.348 -6.793 1.00 . A A . 6 GLN H 1 1 5 3971 1 1 6 GLN HA H 6.018 1.106 -8.273 1.00 . A A . 6 GLN HA 1 1 5 3972 1 1 6 GLN HB2 H 7.205 1.450 -5.535 1.00 . A A . 6 GLN HB2 1 1 5 3973 1 1 6 GLN HB3 H 6.721 -0.130 -6.135 1.00 . A A . 6 GLN HB3 1 1 5 3974 1 1 6 GLN HE21 H 10.046 1.745 -5.545 1.00 . A A . 6 GLN HE21 1 1 5 3975 1 1 6 GLN HE22 H 10.875 0.345 -4.965 1.00 . A A . 6 GLN HE22 1 1 5 3976 1 1 6 GLN HG2 H 8.244 0.151 -8.044 1.00 . A A . 6 GLN HG2 1 1 5 3977 1 1 6 GLN HG3 H 8.758 1.701 -7.381 1.00 . A A . 6 GLN HG3 1 1 5 3978 1 1 6 GLN N N 6.209 2.939 -7.384 1.00 . A A . 6 GLN N 1 1 5 3979 1 1 6 GLN NE2 N 10.194 0.777 -5.522 1.00 . A A . 6 GLN NE2 1 1 5 3980 1 1 6 GLN O O 4.116 0.090 -6.728 1.00 . A A . 6 GLN O 1 1 5 3981 1 1 6 GLN OE1 O 9.546 -1.218 -6.324 1.00 . A A . 6 GLN OE1 1 1 5 3982 1 1 7 LEU C C 1.576 2.804 -6.349 1.00 . A A . 7 LEU C 1 1 5 3983 1 1 7 LEU CA C 2.652 2.109 -5.517 1.00 . A A . 7 LEU CA 1 1 5 3984 1 1 7 LEU CB C 2.665 2.682 -4.096 1.00 . A A . 7 LEU CB 1 1 5 3985 1 1 7 LEU CD1 C 4.048 3.603 -2.216 1.00 . A A . 7 LEU CD1 1 1 5 3986 1 1 7 LEU CD2 C 4.322 1.217 -2.912 1.00 . A A . 7 LEU CD2 1 1 5 3987 1 1 7 LEU CG C 4.022 2.632 -3.386 1.00 . A A . 7 LEU CG 1 1 5 3988 1 1 7 LEU H H 4.401 3.131 -6.118 1.00 . A A . 7 LEU H 1 1 5 3989 1 1 7 LEU HA H 2.424 1.055 -5.466 1.00 . A A . 7 LEU HA 1 1 5 3990 1 1 7 LEU HB2 H 2.345 3.713 -4.145 1.00 . A A . 7 LEU HB2 1 1 5 3991 1 1 7 LEU HB3 H 1.953 2.130 -3.502 1.00 . A A . 7 LEU HB3 1 1 5 3992 1 1 7 LEU HD11 H 3.052 3.703 -1.809 1.00 . A A . 7 LEU HD11 1 1 5 3993 1 1 7 LEU HD12 H 4.396 4.567 -2.557 1.00 . A A . 7 LEU HD12 1 1 5 3994 1 1 7 LEU HD13 H 4.713 3.229 -1.452 1.00 . A A . 7 LEU HD13 1 1 5 3995 1 1 7 LEU HD21 H 4.880 1.258 -1.988 1.00 . A A . 7 LEU HD21 1 1 5 3996 1 1 7 LEU HD22 H 4.903 0.702 -3.662 1.00 . A A . 7 LEU HD22 1 1 5 3997 1 1 7 LEU HD23 H 3.394 0.688 -2.749 1.00 . A A . 7 LEU HD23 1 1 5 3998 1 1 7 LEU HG H 4.798 2.925 -4.081 1.00 . A A . 7 LEU HG 1 1 5 3999 1 1 7 LEU N N 3.967 2.253 -6.128 1.00 . A A . 7 LEU N 1 1 5 4000 1 1 7 LEU O O 0.388 2.515 -6.207 1.00 . A A . 7 LEU O 1 1 5 4001 1 1 8 ALA C C 0.065 3.527 -8.735 1.00 . A A . 8 ALA C 1 1 5 4002 1 1 8 ALA CA C 1.069 4.458 -8.071 1.00 . A A . 8 ALA CA 1 1 5 4003 1 1 8 ALA CB C 1.833 5.248 -9.123 1.00 . A A . 8 ALA CB 1 1 5 4004 1 1 8 ALA H H 2.955 3.913 -7.286 1.00 . A A . 8 ALA H 1 1 5 4005 1 1 8 ALA HA H 0.537 5.153 -7.454 1.00 . A A . 8 ALA HA 1 1 5 4006 1 1 8 ALA HB1 H 1.135 5.699 -9.812 1.00 . A A . 8 ALA HB1 1 1 5 4007 1 1 8 ALA HB2 H 2.493 4.584 -9.661 1.00 . A A . 8 ALA HB2 1 1 5 4008 1 1 8 ALA HB3 H 2.414 6.021 -8.641 1.00 . A A . 8 ALA HB3 1 1 5 4009 1 1 8 ALA N N 1.997 3.723 -7.218 1.00 . A A . 8 ALA N 1 1 5 4010 1 1 8 ALA O O -1.143 3.643 -8.531 1.00 . A A . 8 ALA O 1 1 5 4011 1 1 9 VAL C C -1.208 0.930 -9.284 1.00 . A A . 9 VAL C 1 1 5 4012 1 1 9 VAL CA C -0.245 1.638 -10.235 1.00 . A A . 9 VAL CA 1 1 5 4013 1 1 9 VAL CB C 0.619 0.587 -10.960 1.00 . A A . 9 VAL CB 1 1 5 4014 1 1 9 VAL CG1 C 1.487 -0.173 -9.967 1.00 . A A . 9 VAL CG1 1 1 5 4015 1 1 9 VAL CG2 C -0.256 -0.369 -11.759 1.00 . A A . 9 VAL CG2 1 1 5 4016 1 1 9 VAL H H 1.550 2.578 -9.639 1.00 . A A . 9 VAL H 1 1 5 4017 1 1 9 VAL HA H -0.815 2.174 -10.971 1.00 . A A . 9 VAL HA 1 1 5 4018 1 1 9 VAL HB H 1.271 1.103 -11.649 1.00 . A A . 9 VAL HB 1 1 5 4019 1 1 9 VAL HG11 H 1.409 -1.233 -10.155 1.00 . A A . 9 VAL HG11 1 1 5 4020 1 1 9 VAL HG12 H 1.156 0.039 -8.961 1.00 . A A . 9 VAL HG12 1 1 5 4021 1 1 9 VAL HG13 H 2.516 0.137 -10.079 1.00 . A A . 9 VAL HG13 1 1 5 4022 1 1 9 VAL HG21 H -1.188 0.117 -12.007 1.00 . A A . 9 VAL HG21 1 1 5 4023 1 1 9 VAL HG22 H -0.456 -1.252 -11.170 1.00 . A A . 9 VAL HG22 1 1 5 4024 1 1 9 VAL HG23 H 0.256 -0.651 -12.667 1.00 . A A . 9 VAL HG23 1 1 5 4025 1 1 9 VAL N N 0.583 2.606 -9.527 1.00 . A A . 9 VAL N 1 1 5 4026 1 1 9 VAL O O -2.273 0.468 -9.690 1.00 . A A . 9 VAL O 1 1 5 4027 1 1 10 CYS C C -2.856 1.068 -6.671 1.00 . A A . 10 CYS C 1 1 5 4028 1 1 10 CYS CA C -1.641 0.212 -6.998 1.00 . A A . 10 CYS CA 1 1 5 4029 1 1 10 CYS CB C -0.821 -0.004 -5.731 1.00 . A A . 10 CYS CB 1 1 5 4030 1 1 10 CYS H H 0.038 1.248 -7.761 1.00 . A A . 10 CYS H 1 1 5 4031 1 1 10 CYS HA H -1.970 -0.743 -7.378 1.00 . A A . 10 CYS HA 1 1 5 4032 1 1 10 CYS HB2 H 0.201 -0.204 -6.007 1.00 . A A . 10 CYS HB2 1 1 5 4033 1 1 10 CYS HB3 H -0.859 0.897 -5.131 1.00 . A A . 10 CYS HB3 1 1 5 4034 1 1 10 CYS N N -0.821 0.856 -8.018 1.00 . A A . 10 CYS N 1 1 5 4035 1 1 10 CYS O O -3.922 0.556 -6.329 1.00 . A A . 10 CYS O 1 1 5 4036 1 1 10 CYS SG S -1.406 -1.383 -4.692 1.00 . A A . 10 CYS SG 1 1 5 4037 1 1 11 ALA C C -5.059 2.907 -7.117 1.00 . A A . 11 ALA C 1 1 5 4038 1 1 11 ALA CA C -3.739 3.337 -6.492 1.00 . A A . 11 ALA CA 1 1 5 4039 1 1 11 ALA CB C -3.346 4.722 -6.984 1.00 . A A . 11 ALA CB 1 1 5 4040 1 1 11 ALA H H -1.796 2.710 -7.049 1.00 . A A . 11 ALA H 1 1 5 4041 1 1 11 ALA HA H -3.862 3.383 -5.424 1.00 . A A . 11 ALA HA 1 1 5 4042 1 1 11 ALA HB1 H -3.078 4.670 -8.029 1.00 . A A . 11 ALA HB1 1 1 5 4043 1 1 11 ALA HB2 H -2.502 5.081 -6.413 1.00 . A A . 11 ALA HB2 1 1 5 4044 1 1 11 ALA HB3 H -4.179 5.398 -6.859 1.00 . A A . 11 ALA HB3 1 1 5 4045 1 1 11 ALA N N -2.675 2.379 -6.776 1.00 . A A . 11 ALA N 1 1 5 4046 1 1 11 ALA O O -6.134 3.226 -6.611 1.00 . A A . 11 ALA O 1 1 5 4047 1 1 12 SER C C -7.120 1.024 -7.960 1.00 . A A . 12 SER C 1 1 5 4048 1 1 12 SER CA C -6.145 1.694 -8.924 1.00 . A A . 12 SER CA 1 1 5 4049 1 1 12 SER CB C -5.739 0.709 -10.022 1.00 . A A . 12 SER CB 1 1 5 4050 1 1 12 SER H H -4.078 1.962 -8.568 1.00 . A A . 12 SER H 1 1 5 4051 1 1 12 SER HA H -6.629 2.544 -9.377 1.00 . A A . 12 SER HA 1 1 5 4052 1 1 12 SER HB2 H -4.726 0.918 -10.334 1.00 . A A . 12 SER HB2 1 1 5 4053 1 1 12 SER HB3 H -5.797 -0.299 -9.639 1.00 . A A . 12 SER HB3 1 1 5 4054 1 1 12 SER HG H -7.493 0.613 -10.888 1.00 . A A . 12 SER HG 1 1 5 4055 1 1 12 SER N N -4.965 2.179 -8.220 1.00 . A A . 12 SER N 1 1 5 4056 1 1 12 SER O O -8.335 1.069 -8.156 1.00 . A A . 12 SER O 1 1 5 4057 1 1 12 SER OG O -6.592 0.820 -11.148 1.00 . A A . 12 SER OG 1 1 5 4058 1 1 13 ALA C C -7.651 0.616 -4.716 1.00 . A A . 13 ALA C 1 1 5 4059 1 1 13 ALA CA C -7.388 -0.279 -5.924 1.00 . A A . 13 ALA CA 1 1 5 4060 1 1 13 ALA CB C -6.717 -1.573 -5.490 1.00 . A A . 13 ALA CB 1 1 5 4061 1 1 13 ALA H H -5.609 0.397 -6.818 1.00 . A A . 13 ALA H 1 1 5 4062 1 1 13 ALA HA H -8.326 -0.527 -6.387 1.00 . A A . 13 ALA HA 1 1 5 4063 1 1 13 ALA HB1 H -6.483 -2.167 -6.362 1.00 . A A . 13 ALA HB1 1 1 5 4064 1 1 13 ALA HB2 H -7.385 -2.127 -4.847 1.00 . A A . 13 ALA HB2 1 1 5 4065 1 1 13 ALA HB3 H -5.808 -1.345 -4.955 1.00 . A A . 13 ALA HB3 1 1 5 4066 1 1 13 ALA N N -6.577 0.401 -6.918 1.00 . A A . 13 ALA N 1 1 5 4067 1 1 13 ALA O O -8.719 0.555 -4.108 1.00 . A A . 13 ALA O 1 1 5 4068 1 1 14 ILE C C -7.718 3.524 -3.569 1.00 . A A . 14 ILE C 1 1 5 4069 1 1 14 ILE CA C -6.799 2.350 -3.235 1.00 . A A . 14 ILE CA 1 1 5 4070 1 1 14 ILE CB C -5.423 2.891 -2.785 1.00 . A A . 14 ILE CB 1 1 5 4071 1 1 14 ILE CD1 C -3.743 1.100 -3.462 1.00 . A A . 14 ILE CD1 1 1 5 4072 1 1 14 ILE CG1 C -4.519 1.742 -2.332 1.00 . A A . 14 ILE CG1 1 1 5 4073 1 1 14 ILE CG2 C -5.585 3.911 -1.664 1.00 . A A . 14 ILE CG2 1 1 5 4074 1 1 14 ILE H H -5.840 1.448 -4.894 1.00 . A A . 14 ILE H 1 1 5 4075 1 1 14 ILE HA H -7.229 1.793 -2.414 1.00 . A A . 14 ILE HA 1 1 5 4076 1 1 14 ILE HB H -4.966 3.388 -3.626 1.00 . A A . 14 ILE HB 1 1 5 4077 1 1 14 ILE HD11 H -3.880 1.675 -4.366 1.00 . A A . 14 ILE HD11 1 1 5 4078 1 1 14 ILE HD12 H -4.101 0.093 -3.618 1.00 . A A . 14 ILE HD12 1 1 5 4079 1 1 14 ILE HD13 H -2.693 1.073 -3.209 1.00 . A A . 14 ILE HD13 1 1 5 4080 1 1 14 ILE HG12 H -3.805 2.118 -1.612 1.00 . A A . 14 ILE HG12 1 1 5 4081 1 1 14 ILE HG13 H -5.124 0.976 -1.865 1.00 . A A . 14 ILE HG13 1 1 5 4082 1 1 14 ILE HG21 H -5.528 4.908 -2.075 1.00 . A A . 14 ILE HG21 1 1 5 4083 1 1 14 ILE HG22 H -4.797 3.776 -0.937 1.00 . A A . 14 ILE HG22 1 1 5 4084 1 1 14 ILE HG23 H -6.543 3.773 -1.187 1.00 . A A . 14 ILE HG23 1 1 5 4085 1 1 14 ILE N N -6.670 1.445 -4.372 1.00 . A A . 14 ILE N 1 1 5 4086 1 1 14 ILE O O -8.734 3.737 -2.908 1.00 . A A . 14 ILE O 1 1 5 4087 1 1 15 LEU C C -9.403 5.009 -5.746 1.00 . A A . 15 LEU C 1 1 5 4088 1 1 15 LEU CA C -8.137 5.440 -5.013 1.00 . A A . 15 LEU CA 1 1 5 4089 1 1 15 LEU CB C -7.301 6.352 -5.912 1.00 . A A . 15 LEU CB 1 1 5 4090 1 1 15 LEU CD1 C -5.240 7.740 -6.238 1.00 . A A . 15 LEU CD1 1 1 5 4091 1 1 15 LEU CD2 C -6.651 8.061 -4.198 1.00 . A A . 15 LEU CD2 1 1 5 4092 1 1 15 LEU CG C -6.135 7.056 -5.217 1.00 . A A . 15 LEU CG 1 1 5 4093 1 1 15 LEU H H -6.527 4.067 -5.080 1.00 . A A . 15 LEU H 1 1 5 4094 1 1 15 LEU HA H -8.418 5.986 -4.125 1.00 . A A . 15 LEU HA 1 1 5 4095 1 1 15 LEU HB2 H -6.904 5.756 -6.721 1.00 . A A . 15 LEU HB2 1 1 5 4096 1 1 15 LEU HB3 H -7.951 7.106 -6.328 1.00 . A A . 15 LEU HB3 1 1 5 4097 1 1 15 LEU HD11 H -4.254 7.875 -5.820 1.00 . A A . 15 LEU HD11 1 1 5 4098 1 1 15 LEU HD12 H -5.658 8.702 -6.495 1.00 . A A . 15 LEU HD12 1 1 5 4099 1 1 15 LEU HD13 H -5.175 7.128 -7.126 1.00 . A A . 15 LEU HD13 1 1 5 4100 1 1 15 LEU HD21 H -7.316 7.565 -3.507 1.00 . A A . 15 LEU HD21 1 1 5 4101 1 1 15 LEU HD22 H -7.184 8.849 -4.708 1.00 . A A . 15 LEU HD22 1 1 5 4102 1 1 15 LEU HD23 H -5.818 8.483 -3.656 1.00 . A A . 15 LEU HD23 1 1 5 4103 1 1 15 LEU HG H -5.540 6.321 -4.692 1.00 . A A . 15 LEU HG 1 1 5 4104 1 1 15 LEU N N -7.350 4.285 -4.595 1.00 . A A . 15 LEU N 1 1 5 4105 1 1 15 LEU O O -10.504 5.086 -5.201 1.00 . A A . 15 LEU O 1 1 5 4106 1 1 16 SER C C -11.240 3.117 -7.048 1.00 . A A . 16 SER C 1 1 5 4107 1 1 16 SER CA C -10.371 4.121 -7.801 1.00 . A A . 16 SER CA 1 1 5 4108 1 1 16 SER CB C -9.874 3.501 -9.109 1.00 . A A . 16 SER CB 1 1 5 4109 1 1 16 SER H H -8.338 4.526 -7.368 1.00 . A A . 16 SER H 1 1 5 4110 1 1 16 SER HA H -10.968 4.991 -8.032 1.00 . A A . 16 SER HA 1 1 5 4111 1 1 16 SER HB2 H -8.863 3.828 -9.298 1.00 . A A . 16 SER HB2 1 1 5 4112 1 1 16 SER HB3 H -9.895 2.424 -9.025 1.00 . A A . 16 SER HB3 1 1 5 4113 1 1 16 SER HG H -10.282 3.608 -11.022 1.00 . A A . 16 SER HG 1 1 5 4114 1 1 16 SER N N -9.240 4.560 -6.987 1.00 . A A . 16 SER N 1 1 5 4115 1 1 16 SER O O -12.447 3.310 -6.906 1.00 . A A . 16 SER O 1 1 5 4116 1 1 16 SER OG O -10.690 3.890 -10.200 1.00 . A A . 16 SER OG 1 1 5 4117 1 1 17 GLY C C -11.812 -0.109 -6.729 1.00 . A A . 17 GLY C 1 1 5 4118 1 1 17 GLY CA C -11.353 1.029 -5.838 1.00 . A A . 17 GLY CA 1 1 5 4119 1 1 17 GLY H H -9.654 1.943 -6.712 1.00 . A A . 17 GLY H 1 1 5 4120 1 1 17 GLY HA2 H -10.717 0.629 -5.062 1.00 . A A . 17 GLY HA2 1 1 5 4121 1 1 17 GLY HA3 H -12.218 1.484 -5.380 1.00 . A A . 17 GLY HA3 1 1 5 4122 1 1 17 GLY N N -10.619 2.045 -6.568 1.00 . A A . 17 GLY N 1 1 5 4123 1 1 17 GLY O O -12.759 -0.823 -6.397 1.00 . A A . 17 GLY O 1 1 5 4124 1 1 18 ALA C C -11.179 -2.708 -8.222 1.00 . A A . 18 ALA C 1 1 5 4125 1 1 18 ALA CA C -11.485 -1.336 -8.804 1.00 . A A . 18 ALA CA 1 1 5 4126 1 1 18 ALA CB C -10.742 -1.134 -10.118 1.00 . A A . 18 ALA CB 1 1 5 4127 1 1 18 ALA H H -10.396 0.320 -8.074 1.00 . A A . 18 ALA H 1 1 5 4128 1 1 18 ALA HA H -12.536 -1.273 -9.002 1.00 . A A . 18 ALA HA 1 1 5 4129 1 1 18 ALA HB1 H -11.455 -0.968 -10.912 1.00 . A A . 18 ALA HB1 1 1 5 4130 1 1 18 ALA HB2 H -10.154 -2.013 -10.341 1.00 . A A . 18 ALA HB2 1 1 5 4131 1 1 18 ALA HB3 H -10.090 -0.278 -10.035 1.00 . A A . 18 ALA HB3 1 1 5 4132 1 1 18 ALA N N -11.141 -0.279 -7.864 1.00 . A A . 18 ALA N 1 1 5 4133 1 1 18 ALA O O -12.075 -3.423 -7.771 1.00 . A A . 18 ALA O 1 1 5 4134 1 1 19 LYS C C -7.937 -4.378 -7.583 1.00 . A A . 19 LYS C 1 1 5 4135 1 1 19 LYS CA C -9.458 -4.347 -7.714 1.00 . A A . 19 LYS CA 1 1 5 4136 1 1 19 LYS CB C -9.933 -5.490 -8.616 1.00 . A A . 19 LYS CB 1 1 5 4137 1 1 19 LYS CD C -8.460 -5.642 -10.648 1.00 . A A . 19 LYS CD 1 1 5 4138 1 1 19 LYS CE C -7.988 -4.737 -11.774 1.00 . A A . 19 LYS CE 1 1 5 4139 1 1 19 LYS CG C -9.807 -5.195 -10.103 1.00 . A A . 19 LYS CG 1 1 5 4140 1 1 19 LYS H H -9.253 -2.444 -8.609 1.00 . A A . 19 LYS H 1 1 5 4141 1 1 19 LYS HA H -9.891 -4.470 -6.735 1.00 . A A . 19 LYS HA 1 1 5 4142 1 1 19 LYS HB2 H -9.348 -6.371 -8.397 1.00 . A A . 19 LYS HB2 1 1 5 4143 1 1 19 LYS HB3 H -10.971 -5.696 -8.399 1.00 . A A . 19 LYS HB3 1 1 5 4144 1 1 19 LYS HD2 H -7.734 -5.616 -9.850 1.00 . A A . 19 LYS HD2 1 1 5 4145 1 1 19 LYS HD3 H -8.551 -6.651 -11.022 1.00 . A A . 19 LYS HD3 1 1 5 4146 1 1 19 LYS HE2 H -7.140 -5.199 -12.258 1.00 . A A . 19 LYS HE2 1 1 5 4147 1 1 19 LYS HE3 H -8.790 -4.623 -12.488 1.00 . A A . 19 LYS HE3 1 1 5 4148 1 1 19 LYS HG2 H -10.588 -5.720 -10.631 1.00 . A A . 19 LYS HG2 1 1 5 4149 1 1 19 LYS HG3 H -9.915 -4.132 -10.261 1.00 . A A . 19 LYS HG3 1 1 5 4150 1 1 19 LYS HZ1 H -7.353 -2.771 -12.077 1.00 . A A . 19 LYS HZ1 1 1 5 4151 1 1 19 LYS HZ2 H -6.752 -3.473 -10.660 1.00 . A A . 19 LYS HZ2 1 1 5 4152 1 1 19 LYS HZ3 H -8.364 -2.966 -10.734 1.00 . A A . 19 LYS HZ3 1 1 5 4153 1 1 19 LYS N N -9.907 -3.064 -8.237 1.00 . A A . 19 LYS N 1 1 5 4154 1 1 19 LYS NZ N -7.586 -3.393 -11.276 1.00 . A A . 19 LYS NZ 1 1 5 4155 1 1 19 LYS O O -7.240 -3.541 -8.157 1.00 . A A . 19 LYS O 1 1 5 4156 1 1 20 PRO C C -5.184 -5.590 -7.923 1.00 . A A . 20 PRO C 1 1 5 4157 1 1 20 PRO CA C -5.954 -5.480 -6.610 1.00 . A A . 20 PRO CA 1 1 5 4158 1 1 20 PRO CB C -5.824 -6.778 -5.807 1.00 . A A . 20 PRO CB 1 1 5 4159 1 1 20 PRO CD C -8.161 -6.381 -6.094 1.00 . A A . 20 PRO CD 1 1 5 4160 1 1 20 PRO CG C -7.147 -6.950 -5.143 1.00 . A A . 20 PRO CG 1 1 5 4161 1 1 20 PRO HA H -5.560 -4.656 -6.033 1.00 . A A . 20 PRO HA 1 1 5 4162 1 1 20 PRO HB2 H -5.607 -7.598 -6.476 1.00 . A A . 20 PRO HB2 1 1 5 4163 1 1 20 PRO HB3 H -5.030 -6.678 -5.082 1.00 . A A . 20 PRO HB3 1 1 5 4164 1 1 20 PRO HD2 H -8.514 -7.146 -6.771 1.00 . A A . 20 PRO HD2 1 1 5 4165 1 1 20 PRO HD3 H -8.986 -5.944 -5.551 1.00 . A A . 20 PRO HD3 1 1 5 4166 1 1 20 PRO HG2 H -7.338 -7.999 -4.972 1.00 . A A . 20 PRO HG2 1 1 5 4167 1 1 20 PRO HG3 H -7.163 -6.407 -4.210 1.00 . A A . 20 PRO HG3 1 1 5 4168 1 1 20 PRO N N -7.401 -5.346 -6.819 1.00 . A A . 20 PRO N 1 1 5 4169 1 1 20 PRO O O -5.710 -5.281 -8.991 1.00 . A A . 20 PRO O 1 1 5 4170 1 1 21 SER C C -1.781 -6.880 -8.659 1.00 . A A . 21 SER C 1 1 5 4171 1 1 21 SER CA C -3.092 -6.184 -9.012 1.00 . A A . 21 SER CA 1 1 5 4172 1 1 21 SER CB C -2.806 -4.818 -9.640 1.00 . A A . 21 SER CB 1 1 5 4173 1 1 21 SER H H -3.571 -6.264 -6.955 1.00 . A A . 21 SER H 1 1 5 4174 1 1 21 SER HA H -3.627 -6.792 -9.724 1.00 . A A . 21 SER HA 1 1 5 4175 1 1 21 SER HB2 H -2.845 -4.057 -8.875 1.00 . A A . 21 SER HB2 1 1 5 4176 1 1 21 SER HB3 H -1.822 -4.828 -10.087 1.00 . A A . 21 SER HB3 1 1 5 4177 1 1 21 SER HG H -3.338 -3.995 -11.336 1.00 . A A . 21 SER HG 1 1 5 4178 1 1 21 SER N N -3.934 -6.033 -7.834 1.00 . A A . 21 SER N 1 1 5 4179 1 1 21 SER O O -1.161 -6.576 -7.640 1.00 . A A . 21 SER O 1 1 5 4180 1 1 21 SER OG O -3.758 -4.507 -10.642 1.00 . A A . 21 SER OG 1 1 5 4181 1 1 22 GLY C C 1.078 -7.630 -9.232 1.00 . A A . 22 GLY C 1 1 5 4182 1 1 22 GLY CA C -0.134 -8.540 -9.266 1.00 . A A . 22 GLY CA 1 1 5 4183 1 1 22 GLY H H -1.903 -8.015 -10.303 1.00 . A A . 22 GLY H 1 1 5 4184 1 1 22 GLY HA2 H -0.210 -9.055 -8.320 1.00 . A A . 22 GLY HA2 1 1 5 4185 1 1 22 GLY HA3 H 0.001 -9.270 -10.051 1.00 . A A . 22 GLY HA3 1 1 5 4186 1 1 22 GLY N N -1.367 -7.815 -9.507 1.00 . A A . 22 GLY N 1 1 5 4187 1 1 22 GLY O O 2.018 -7.865 -8.473 1.00 . A A . 22 GLY O 1 1 5 4188 1 1 23 GLU C C 2.432 -5.029 -8.764 1.00 . A A . 23 GLU C 1 1 5 4189 1 1 23 GLU CA C 2.156 -5.646 -10.131 1.00 . A A . 23 GLU CA 1 1 5 4190 1 1 23 GLU CB C 1.815 -4.553 -11.138 1.00 . A A . 23 GLU CB 1 1 5 4191 1 1 23 GLU CD C 2.998 -2.393 -11.687 1.00 . A A . 23 GLU CD 1 1 5 4192 1 1 23 GLU CG C 3.036 -3.907 -11.750 1.00 . A A . 23 GLU CG 1 1 5 4193 1 1 23 GLU H H 0.291 -6.454 -10.646 1.00 . A A . 23 GLU H 1 1 5 4194 1 1 23 GLU HA H 3.036 -6.174 -10.466 1.00 . A A . 23 GLU HA 1 1 5 4195 1 1 23 GLU HB2 H 1.222 -4.983 -11.934 1.00 . A A . 23 GLU HB2 1 1 5 4196 1 1 23 GLU HB3 H 1.238 -3.785 -10.639 1.00 . A A . 23 GLU HB3 1 1 5 4197 1 1 23 GLU HG2 H 3.907 -4.256 -11.221 1.00 . A A . 23 GLU HG2 1 1 5 4198 1 1 23 GLU HG3 H 3.096 -4.212 -12.783 1.00 . A A . 23 GLU HG3 1 1 5 4199 1 1 23 GLU N N 1.060 -6.590 -10.061 1.00 . A A . 23 GLU N 1 1 5 4200 1 1 23 GLU O O 3.572 -5.007 -8.299 1.00 . A A . 23 GLU O 1 1 5 4201 1 1 23 GLU OE1 O 2.414 -1.775 -12.602 1.00 . A A . 23 GLU OE1 1 1 5 4202 1 1 23 GLU OE2 O 3.554 -1.824 -10.724 1.00 . A A . 23 GLU OE2 1 1 5 4203 1 1 24 CYS C C 2.117 -4.870 -5.808 1.00 . A A . 24 CYS C 1 1 5 4204 1 1 24 CYS CA C 1.500 -3.907 -6.816 1.00 . A A . 24 CYS CA 1 1 5 4205 1 1 24 CYS CB C 0.132 -3.434 -6.320 1.00 . A A . 24 CYS CB 1 1 5 4206 1 1 24 CYS H H 0.500 -4.572 -8.552 1.00 . A A . 24 CYS H 1 1 5 4207 1 1 24 CYS HA H 2.146 -3.057 -6.922 1.00 . A A . 24 CYS HA 1 1 5 4208 1 1 24 CYS HB2 H -0.260 -2.702 -7.011 1.00 . A A . 24 CYS HB2 1 1 5 4209 1 1 24 CYS HB3 H -0.540 -4.278 -6.280 1.00 . A A . 24 CYS HB3 1 1 5 4210 1 1 24 CYS N N 1.379 -4.527 -8.128 1.00 . A A . 24 CYS N 1 1 5 4211 1 1 24 CYS O O 2.739 -4.449 -4.832 1.00 . A A . 24 CYS O 1 1 5 4212 1 1 24 CYS SG S 0.163 -2.670 -4.665 1.00 . A A . 24 CYS SG 1 1 5 4213 1 1 25 CYS C C 4.000 -7.224 -5.245 1.00 . A A . 25 CYS C 1 1 5 4214 1 1 25 CYS CA C 2.477 -7.187 -5.165 1.00 . A A . 25 CYS CA 1 1 5 4215 1 1 25 CYS CB C 1.897 -8.557 -5.526 1.00 . A A . 25 CYS CB 1 1 5 4216 1 1 25 CYS H H 1.435 -6.431 -6.844 1.00 . A A . 25 CYS H 1 1 5 4217 1 1 25 CYS HA H 2.188 -6.938 -4.155 1.00 . A A . 25 CYS HA 1 1 5 4218 1 1 25 CYS HB2 H 1.341 -8.473 -6.447 1.00 . A A . 25 CYS HB2 1 1 5 4219 1 1 25 CYS HB3 H 2.707 -9.260 -5.663 1.00 . A A . 25 CYS HB3 1 1 5 4220 1 1 25 CYS N N 1.939 -6.161 -6.050 1.00 . A A . 25 CYS N 1 1 5 4221 1 1 25 CYS O O 4.686 -7.168 -4.225 1.00 . A A . 25 CYS O 1 1 5 4222 1 1 25 CYS SG S 0.774 -9.245 -4.266 1.00 . A A . 25 CYS SG 1 1 5 4223 1 1 26 GLY C C 6.651 -6.122 -6.116 1.00 . A A . 26 GLY C 1 1 5 4224 1 1 26 GLY CA C 5.959 -7.359 -6.654 1.00 . A A . 26 GLY CA 1 1 5 4225 1 1 26 GLY H H 3.925 -7.358 -7.240 1.00 . A A . 26 GLY H 1 1 5 4226 1 1 26 GLY HA2 H 6.353 -8.228 -6.147 1.00 . A A . 26 GLY HA2 1 1 5 4227 1 1 26 GLY HA3 H 6.169 -7.445 -7.709 1.00 . A A . 26 GLY HA3 1 1 5 4228 1 1 26 GLY N N 4.521 -7.317 -6.464 1.00 . A A . 26 GLY N 1 1 5 4229 1 1 26 GLY O O 7.731 -6.212 -5.531 1.00 . A A . 26 GLY O 1 1 5 4230 1 1 27 ASN C C 6.787 -3.724 -4.343 1.00 . A A . 27 ASN C 1 1 5 4231 1 1 27 ASN CA C 6.590 -3.706 -5.850 1.00 . A A . 27 ASN CA 1 1 5 4232 1 1 27 ASN CB C 5.683 -2.542 -6.247 1.00 . A A . 27 ASN CB 1 1 5 4233 1 1 27 ASN CG C 6.022 -1.990 -7.617 1.00 . A A . 27 ASN CG 1 1 5 4234 1 1 27 ASN H H 5.176 -4.954 -6.786 1.00 . A A . 27 ASN H 1 1 5 4235 1 1 27 ASN HA H 7.540 -3.583 -6.320 1.00 . A A . 27 ASN HA 1 1 5 4236 1 1 27 ASN HB2 H 4.658 -2.880 -6.259 1.00 . A A . 27 ASN HB2 1 1 5 4237 1 1 27 ASN HB3 H 5.787 -1.748 -5.522 1.00 . A A . 27 ASN HB3 1 1 5 4238 1 1 27 ASN HD21 H 4.091 -1.839 -8.061 1.00 . A A . 27 ASN HD21 1 1 5 4239 1 1 27 ASN HD22 H 5.188 -1.335 -9.296 1.00 . A A . 27 ASN HD22 1 1 5 4240 1 1 27 ASN N N 6.030 -4.964 -6.315 1.00 . A A . 27 ASN N 1 1 5 4241 1 1 27 ASN ND2 N 4.997 -1.691 -8.404 1.00 . A A . 27 ASN ND2 1 1 5 4242 1 1 27 ASN O O 7.891 -3.515 -3.840 1.00 . A A . 27 ASN O 1 1 5 4243 1 1 27 ASN OD1 O 7.193 -1.835 -7.964 1.00 . A A . 27 ASN OD1 1 1 5 4244 1 1 28 LEU C C 6.854 -4.901 -1.668 1.00 . A A . 28 LEU C 1 1 5 4245 1 1 28 LEU CA C 5.716 -4.029 -2.180 1.00 . A A . 28 LEU CA 1 1 5 4246 1 1 28 LEU CB C 4.377 -4.556 -1.664 1.00 . A A . 28 LEU CB 1 1 5 4247 1 1 28 LEU CD1 C 2.275 -4.117 -0.381 1.00 . A A . 28 LEU CD1 1 1 5 4248 1 1 28 LEU CD2 C 4.510 -3.737 0.679 1.00 . A A . 28 LEU CD2 1 1 5 4249 1 1 28 LEU CG C 3.714 -3.682 -0.612 1.00 . A A . 28 LEU CG 1 1 5 4250 1 1 28 LEU H H 4.862 -4.129 -4.106 1.00 . A A . 28 LEU H 1 1 5 4251 1 1 28 LEU HA H 5.859 -3.031 -1.816 1.00 . A A . 28 LEU HA 1 1 5 4252 1 1 28 LEU HB2 H 3.703 -4.650 -2.500 1.00 . A A . 28 LEU HB2 1 1 5 4253 1 1 28 LEU HB3 H 4.536 -5.533 -1.236 1.00 . A A . 28 LEU HB3 1 1 5 4254 1 1 28 LEU HD11 H 1.994 -3.902 0.639 1.00 . A A . 28 LEU HD11 1 1 5 4255 1 1 28 LEU HD12 H 2.187 -5.177 -0.564 1.00 . A A . 28 LEU HD12 1 1 5 4256 1 1 28 LEU HD13 H 1.625 -3.579 -1.055 1.00 . A A . 28 LEU HD13 1 1 5 4257 1 1 28 LEU HD21 H 4.947 -4.722 0.792 1.00 . A A . 28 LEU HD21 1 1 5 4258 1 1 28 LEU HD22 H 3.858 -3.533 1.515 1.00 . A A . 28 LEU HD22 1 1 5 4259 1 1 28 LEU HD23 H 5.296 -2.999 0.644 1.00 . A A . 28 LEU HD23 1 1 5 4260 1 1 28 LEU HG H 3.706 -2.661 -0.962 1.00 . A A . 28 LEU HG 1 1 5 4261 1 1 28 LEU N N 5.701 -3.976 -3.634 1.00 . A A . 28 LEU N 1 1 5 4262 1 1 28 LEU O O 7.392 -4.667 -0.586 1.00 . A A . 28 LEU O 1 1 5 4263 1 1 29 ARG C C 9.613 -6.118 -2.032 1.00 . A A . 29 ARG C 1 1 5 4264 1 1 29 ARG CA C 8.272 -6.818 -2.067 1.00 . A A . 29 ARG CA 1 1 5 4265 1 1 29 ARG CB C 8.319 -8.023 -3.000 1.00 . A A . 29 ARG CB 1 1 5 4266 1 1 29 ARG CD C 6.371 -9.591 -2.765 1.00 . A A . 29 ARG CD 1 1 5 4267 1 1 29 ARG CG C 7.802 -9.292 -2.350 1.00 . A A . 29 ARG CG 1 1 5 4268 1 1 29 ARG CZ C 5.352 -11.225 -1.224 1.00 . A A . 29 ARG CZ 1 1 5 4269 1 1 29 ARG H H 6.741 -6.051 -3.286 1.00 . A A . 29 ARG H 1 1 5 4270 1 1 29 ARG HA H 8.052 -7.151 -1.087 1.00 . A A . 29 ARG HA 1 1 5 4271 1 1 29 ARG HB2 H 7.717 -7.815 -3.871 1.00 . A A . 29 ARG HB2 1 1 5 4272 1 1 29 ARG HB3 H 9.340 -8.190 -3.305 1.00 . A A . 29 ARG HB3 1 1 5 4273 1 1 29 ARG HD2 H 5.952 -8.708 -3.224 1.00 . A A . 29 ARG HD2 1 1 5 4274 1 1 29 ARG HD3 H 6.377 -10.398 -3.481 1.00 . A A . 29 ARG HD3 1 1 5 4275 1 1 29 ARG HE H 5.101 -9.247 -1.129 1.00 . A A . 29 ARG HE 1 1 5 4276 1 1 29 ARG HG2 H 8.432 -10.118 -2.641 1.00 . A A . 29 ARG HG2 1 1 5 4277 1 1 29 ARG HG3 H 7.836 -9.168 -1.276 1.00 . A A . 29 ARG HG3 1 1 5 4278 1 1 29 ARG HH11 H 6.540 -12.053 -2.637 1.00 . A A . 29 ARG HH11 1 1 5 4279 1 1 29 ARG HH12 H 5.795 -13.171 -1.547 1.00 . A A . 29 ARG HH12 1 1 5 4280 1 1 29 ARG HH21 H 4.127 -10.723 0.303 1.00 . A A . 29 ARG HH21 1 1 5 4281 1 1 29 ARG HH22 H 4.428 -12.419 0.121 1.00 . A A . 29 ARG HH22 1 1 5 4282 1 1 29 ARG N N 7.209 -5.910 -2.447 1.00 . A A . 29 ARG N 1 1 5 4283 1 1 29 ARG NE N 5.542 -9.969 -1.624 1.00 . A A . 29 ARG NE 1 1 5 4284 1 1 29 ARG NH1 N 5.945 -12.232 -1.855 1.00 . A A . 29 ARG NH1 1 1 5 4285 1 1 29 ARG NH2 N 4.572 -11.476 -0.181 1.00 . A A . 29 ARG NH2 1 1 5 4286 1 1 29 ARG O O 10.315 -6.146 -1.022 1.00 . A A . 29 ARG O 1 1 5 4287 1 1 30 ALA C C 11.362 -3.823 -2.007 1.00 . A A . 30 ALA C 1 1 5 4288 1 1 30 ALA CA C 11.210 -4.741 -3.215 1.00 . A A . 30 ALA CA 1 1 5 4289 1 1 30 ALA CB C 11.276 -3.942 -4.508 1.00 . A A . 30 ALA CB 1 1 5 4290 1 1 30 ALA H H 9.349 -5.477 -3.891 1.00 . A A . 30 ALA H 1 1 5 4291 1 1 30 ALA HA H 12.011 -5.459 -3.216 1.00 . A A . 30 ALA HA 1 1 5 4292 1 1 30 ALA HB1 H 11.302 -4.620 -5.349 1.00 . A A . 30 ALA HB1 1 1 5 4293 1 1 30 ALA HB2 H 12.168 -3.333 -4.510 1.00 . A A . 30 ALA HB2 1 1 5 4294 1 1 30 ALA HB3 H 10.406 -3.307 -4.584 1.00 . A A . 30 ALA HB3 1 1 5 4295 1 1 30 ALA N N 9.957 -5.472 -3.131 1.00 . A A . 30 ALA N 1 1 5 4296 1 1 30 ALA O O 12.473 -3.479 -1.603 1.00 . A A . 30 ALA O 1 1 5 4297 1 1 31 GLN C C 10.461 -3.399 1.008 1.00 . A A . 31 GLN C 1 1 5 4298 1 1 31 GLN CA C 10.200 -2.588 -0.254 1.00 . A A . 31 GLN CA 1 1 5 4299 1 1 31 GLN CB C 8.856 -1.858 -0.150 1.00 . A A . 31 GLN CB 1 1 5 4300 1 1 31 GLN CD C 7.133 -0.532 -1.430 1.00 . A A . 31 GLN CD 1 1 5 4301 1 1 31 GLN CG C 8.184 -1.620 -1.493 1.00 . A A . 31 GLN CG 1 1 5 4302 1 1 31 GLN H H 9.375 -3.776 -1.793 1.00 . A A . 31 GLN H 1 1 5 4303 1 1 31 GLN HA H 10.987 -1.858 -0.360 1.00 . A A . 31 GLN HA 1 1 5 4304 1 1 31 GLN HB2 H 8.187 -2.441 0.464 1.00 . A A . 31 GLN HB2 1 1 5 4305 1 1 31 GLN HB3 H 9.016 -0.898 0.320 1.00 . A A . 31 GLN HB3 1 1 5 4306 1 1 31 GLN HE21 H 8.442 0.795 -2.124 1.00 . A A . 31 GLN HE21 1 1 5 4307 1 1 31 GLN HE22 H 6.854 1.404 -1.785 1.00 . A A . 31 GLN HE22 1 1 5 4308 1 1 31 GLN HG2 H 8.937 -1.331 -2.211 1.00 . A A . 31 GLN HG2 1 1 5 4309 1 1 31 GLN HG3 H 7.716 -2.538 -1.814 1.00 . A A . 31 GLN HG3 1 1 5 4310 1 1 31 GLN N N 10.225 -3.448 -1.428 1.00 . A A . 31 GLN N 1 1 5 4311 1 1 31 GLN NE2 N 7.514 0.677 -1.820 1.00 . A A . 31 GLN NE2 1 1 5 4312 1 1 31 GLN O O 11.526 -3.293 1.617 1.00 . A A . 31 GLN O 1 1 5 4313 1 1 31 GLN OE1 O 5.992 -0.775 -1.036 1.00 . A A . 31 GLN OE1 1 1 5 4314 1 1 32 GLN C C 10.127 -4.256 3.777 1.00 . A A . 32 GLN C 1 1 5 4315 1 1 32 GLN CA C 9.587 -5.041 2.585 1.00 . A A . 32 GLN CA 1 1 5 4316 1 1 32 GLN CB C 10.461 -6.247 2.293 1.00 . A A . 32 GLN CB 1 1 5 4317 1 1 32 GLN CD C 9.003 -8.246 1.739 1.00 . A A . 32 GLN CD 1 1 5 4318 1 1 32 GLN CG C 9.846 -7.540 2.787 1.00 . A A . 32 GLN CG 1 1 5 4319 1 1 32 GLN H H 8.657 -4.255 0.875 1.00 . A A . 32 GLN H 1 1 5 4320 1 1 32 GLN HA H 8.596 -5.391 2.829 1.00 . A A . 32 GLN HA 1 1 5 4321 1 1 32 GLN HB2 H 10.610 -6.318 1.227 1.00 . A A . 32 GLN HB2 1 1 5 4322 1 1 32 GLN HB3 H 11.414 -6.112 2.778 1.00 . A A . 32 GLN HB3 1 1 5 4323 1 1 32 GLN HE21 H 8.019 -6.565 1.344 1.00 . A A . 32 GLN HE21 1 1 5 4324 1 1 32 GLN HE22 H 7.516 -7.948 0.449 1.00 . A A . 32 GLN HE22 1 1 5 4325 1 1 32 GLN HG2 H 10.634 -8.203 3.102 1.00 . A A . 32 GLN HG2 1 1 5 4326 1 1 32 GLN HG3 H 9.213 -7.305 3.628 1.00 . A A . 32 GLN HG3 1 1 5 4327 1 1 32 GLN N N 9.478 -4.211 1.399 1.00 . A A . 32 GLN N 1 1 5 4328 1 1 32 GLN NE2 N 8.091 -7.510 1.110 1.00 . A A . 32 GLN NE2 1 1 5 4329 1 1 32 GLN O O 10.653 -4.831 4.731 1.00 . A A . 32 GLN O 1 1 5 4330 1 1 32 GLN OE1 O 9.171 -9.442 1.496 1.00 . A A . 32 GLN OE1 1 1 5 4331 1 1 33 GLY C C 10.292 -0.606 4.466 1.00 . A A . 33 GLY C 1 1 5 4332 1 1 33 GLY CA C 10.452 -2.081 4.788 1.00 . A A . 33 GLY CA 1 1 5 4333 1 1 33 GLY H H 9.557 -2.545 2.927 1.00 . A A . 33 GLY H 1 1 5 4334 1 1 33 GLY HA2 H 9.891 -2.307 5.683 1.00 . A A . 33 GLY HA2 1 1 5 4335 1 1 33 GLY HA3 H 11.497 -2.287 4.969 1.00 . A A . 33 GLY HA3 1 1 5 4336 1 1 33 GLY N N 9.986 -2.938 3.713 1.00 . A A . 33 GLY N 1 1 5 4337 1 1 33 GLY O O 11.062 0.225 4.947 1.00 . A A . 33 GLY O 1 1 5 4338 1 1 34 CYS C C 7.570 1.439 3.323 1.00 . A A . 34 CYS C 1 1 5 4339 1 1 34 CYS CA C 9.052 1.091 3.254 1.00 . A A . 34 CYS CA 1 1 5 4340 1 1 34 CYS CB C 9.562 1.322 1.845 1.00 . A A . 34 CYS CB 1 1 5 4341 1 1 34 CYS H H 8.730 -0.971 3.287 1.00 . A A . 34 CYS H 1 1 5 4342 1 1 34 CYS HA H 9.583 1.708 3.918 1.00 . A A . 34 CYS HA 1 1 5 4343 1 1 34 CYS HB2 H 10.426 0.698 1.678 1.00 . A A . 34 CYS HB2 1 1 5 4344 1 1 34 CYS HB3 H 8.784 1.043 1.163 1.00 . A A . 34 CYS HB3 1 1 5 4345 1 1 34 CYS N N 9.298 -0.280 3.643 1.00 . A A . 34 CYS N 1 1 5 4346 1 1 34 CYS O O 7.197 2.554 3.687 1.00 . A A . 34 CYS O 1 1 5 4347 1 1 34 CYS SG S 10.021 3.047 1.475 1.00 . A A . 34 CYS SG 1 1 5 4348 1 1 35 PHE C C 4.793 1.076 4.340 1.00 . A A . 35 PHE C 1 1 5 4349 1 1 35 PHE CA C 5.287 0.677 2.963 1.00 . A A . 35 PHE CA 1 1 5 4350 1 1 35 PHE CB C 4.555 -0.591 2.499 1.00 . A A . 35 PHE CB 1 1 5 4351 1 1 35 PHE CD1 C 6.117 -2.532 2.830 1.00 . A A . 35 PHE CD1 1 1 5 4352 1 1 35 PHE CD2 C 4.179 -2.385 4.210 1.00 . A A . 35 PHE CD2 1 1 5 4353 1 1 35 PHE CE1 C 6.478 -3.702 3.459 1.00 . A A . 35 PHE CE1 1 1 5 4354 1 1 35 PHE CE2 C 4.539 -3.557 4.846 1.00 . A A . 35 PHE CE2 1 1 5 4355 1 1 35 PHE CG C 4.965 -1.858 3.196 1.00 . A A . 35 PHE CG 1 1 5 4356 1 1 35 PHE CZ C 5.691 -4.217 4.469 1.00 . A A . 35 PHE CZ 1 1 5 4357 1 1 35 PHE H H 7.099 -0.375 2.675 1.00 . A A . 35 PHE H 1 1 5 4358 1 1 35 PHE HA H 5.065 1.475 2.283 1.00 . A A . 35 PHE HA 1 1 5 4359 1 1 35 PHE HB2 H 3.504 -0.461 2.682 1.00 . A A . 35 PHE HB2 1 1 5 4360 1 1 35 PHE HB3 H 4.717 -0.730 1.439 1.00 . A A . 35 PHE HB3 1 1 5 4361 1 1 35 PHE HD1 H 6.738 -2.135 2.041 1.00 . A A . 35 PHE HD1 1 1 5 4362 1 1 35 PHE HD2 H 3.278 -1.868 4.505 1.00 . A A . 35 PHE HD2 1 1 5 4363 1 1 35 PHE HE1 H 7.374 -4.214 3.158 1.00 . A A . 35 PHE HE1 1 1 5 4364 1 1 35 PHE HE2 H 3.920 -3.957 5.634 1.00 . A A . 35 PHE HE2 1 1 5 4365 1 1 35 PHE HZ H 5.975 -5.135 4.962 1.00 . A A . 35 PHE HZ 1 1 5 4366 1 1 35 PHE N N 6.733 0.480 2.959 1.00 . A A . 35 PHE N 1 1 5 4367 1 1 35 PHE O O 4.182 2.129 4.522 1.00 . A A . 35 PHE O 1 1 5 4368 1 1 36 CYS C C 5.027 1.859 7.135 1.00 . A A . 36 CYS C 1 1 5 4369 1 1 36 CYS CA C 4.660 0.448 6.684 1.00 . A A . 36 CYS CA 1 1 5 4370 1 1 36 CYS CB C 5.311 -0.585 7.610 1.00 . A A . 36 CYS CB 1 1 5 4371 1 1 36 CYS H H 5.551 -0.590 5.063 1.00 . A A . 36 CYS H 1 1 5 4372 1 1 36 CYS HA H 3.587 0.336 6.735 1.00 . A A . 36 CYS HA 1 1 5 4373 1 1 36 CYS HB2 H 4.912 -1.563 7.384 1.00 . A A . 36 CYS HB2 1 1 5 4374 1 1 36 CYS HB3 H 6.378 -0.590 7.437 1.00 . A A . 36 CYS HB3 1 1 5 4375 1 1 36 CYS N N 5.065 0.220 5.299 1.00 . A A . 36 CYS N 1 1 5 4376 1 1 36 CYS O O 4.316 2.470 7.934 1.00 . A A . 36 CYS O 1 1 5 4377 1 1 36 CYS SG S 5.037 -0.274 9.387 1.00 . A A . 36 CYS SG 1 1 5 4378 1 1 37 GLN C C 5.517 4.744 6.728 1.00 . A A . 37 GLN C 1 1 5 4379 1 1 37 GLN CA C 6.602 3.706 6.977 1.00 . A A . 37 GLN CA 1 1 5 4380 1 1 37 GLN CB C 7.860 4.074 6.190 1.00 . A A . 37 GLN CB 1 1 5 4381 1 1 37 GLN CD C 10.264 3.534 5.660 1.00 . A A . 37 GLN CD 1 1 5 4382 1 1 37 GLN CG C 8.993 3.074 6.344 1.00 . A A . 37 GLN CG 1 1 5 4383 1 1 37 GLN H H 6.668 1.836 5.995 1.00 . A A . 37 GLN H 1 1 5 4384 1 1 37 GLN HA H 6.835 3.698 8.023 1.00 . A A . 37 GLN HA 1 1 5 4385 1 1 37 GLN HB2 H 7.608 4.141 5.142 1.00 . A A . 37 GLN HB2 1 1 5 4386 1 1 37 GLN HB3 H 8.212 5.038 6.527 1.00 . A A . 37 GLN HB3 1 1 5 4387 1 1 37 GLN HE21 H 9.306 3.663 3.922 1.00 . A A . 37 GLN HE21 1 1 5 4388 1 1 37 GLN HE22 H 10.982 4.085 3.890 1.00 . A A . 37 GLN HE22 1 1 5 4389 1 1 37 GLN HG2 H 9.196 2.938 7.396 1.00 . A A . 37 GLN HG2 1 1 5 4390 1 1 37 GLN HG3 H 8.688 2.133 5.912 1.00 . A A . 37 GLN HG3 1 1 5 4391 1 1 37 GLN N N 6.142 2.370 6.622 1.00 . A A . 37 GLN N 1 1 5 4392 1 1 37 GLN NE2 N 10.176 3.787 4.360 1.00 . A A . 37 GLN NE2 1 1 5 4393 1 1 37 GLN O O 5.398 5.726 7.460 1.00 . A A . 37 GLN O 1 1 5 4394 1 1 37 GLN OE1 O 11.313 3.660 6.292 1.00 . A A . 37 GLN OE1 1 1 5 4395 1 1 38 TYR C C 2.565 5.437 6.417 1.00 . A A . 38 TYR C 1 1 5 4396 1 1 38 TYR CA C 3.646 5.427 5.337 1.00 . A A . 38 TYR CA 1 1 5 4397 1 1 38 TYR CB C 3.040 5.034 3.989 1.00 . A A . 38 TYR CB 1 1 5 4398 1 1 38 TYR CD1 C 3.944 6.561 2.191 1.00 . A A . 38 TYR CD1 1 1 5 4399 1 1 38 TYR CD2 C 4.813 4.346 2.328 1.00 . A A . 38 TYR CD2 1 1 5 4400 1 1 38 TYR CE1 C 4.774 6.824 1.118 1.00 . A A . 38 TYR CE1 1 1 5 4401 1 1 38 TYR CE2 C 5.646 4.602 1.256 1.00 . A A . 38 TYR CE2 1 1 5 4402 1 1 38 TYR CG C 3.949 5.319 2.813 1.00 . A A . 38 TYR CG 1 1 5 4403 1 1 38 TYR CZ C 5.623 5.842 0.654 1.00 . A A . 38 TYR CZ 1 1 5 4404 1 1 38 TYR H H 4.877 3.711 5.148 1.00 . A A . 38 TYR H 1 1 5 4405 1 1 38 TYR HA H 4.065 6.419 5.257 1.00 . A A . 38 TYR HA 1 1 5 4406 1 1 38 TYR HB2 H 2.825 3.976 3.992 1.00 . A A . 38 TYR HB2 1 1 5 4407 1 1 38 TYR HB3 H 2.122 5.584 3.840 1.00 . A A . 38 TYR HB3 1 1 5 4408 1 1 38 TYR HD1 H 3.278 7.329 2.557 1.00 . A A . 38 TYR HD1 1 1 5 4409 1 1 38 TYR HD2 H 4.829 3.375 2.800 1.00 . A A . 38 TYR HD2 1 1 5 4410 1 1 38 TYR HE1 H 4.755 7.796 0.647 1.00 . A A . 38 TYR HE1 1 1 5 4411 1 1 38 TYR HE2 H 6.311 3.832 0.893 1.00 . A A . 38 TYR HE2 1 1 5 4412 1 1 38 TYR HH H 6.281 5.465 -1.112 1.00 . A A . 38 TYR HH 1 1 5 4413 1 1 38 TYR N N 4.728 4.515 5.690 1.00 . A A . 38 TYR N 1 1 5 4414 1 1 38 TYR O O 1.784 6.383 6.516 1.00 . A A . 38 TYR O 1 1 5 4415 1 1 38 TYR OH O 6.451 6.101 -0.414 1.00 . A A . 38 TYR OH 1 1 5 4416 1 1 39 ALA C C 1.605 5.451 9.245 1.00 . A A . 39 ALA C 1 1 5 4417 1 1 39 ALA CA C 1.544 4.262 8.291 1.00 . A A . 39 ALA CA 1 1 5 4418 1 1 39 ALA CB C 1.751 2.962 9.054 1.00 . A A . 39 ALA CB 1 1 5 4419 1 1 39 ALA H H 3.169 3.656 7.094 1.00 . A A . 39 ALA H 1 1 5 4420 1 1 39 ALA HA H 0.571 4.230 7.838 1.00 . A A . 39 ALA HA 1 1 5 4421 1 1 39 ALA HB1 H 2.535 3.094 9.785 1.00 . A A . 39 ALA HB1 1 1 5 4422 1 1 39 ALA HB2 H 2.030 2.180 8.364 1.00 . A A . 39 ALA HB2 1 1 5 4423 1 1 39 ALA HB3 H 0.834 2.689 9.556 1.00 . A A . 39 ALA HB3 1 1 5 4424 1 1 39 ALA N N 2.525 4.378 7.222 1.00 . A A . 39 ALA N 1 1 5 4425 1 1 39 ALA O O 0.640 5.740 9.953 1.00 . A A . 39 ALA O 1 1 5 4426 1 1 40 LYS C C 2.788 8.597 9.356 1.00 . A A . 40 LYS C 1 1 5 4427 1 1 40 LYS CA C 2.925 7.291 10.134 1.00 . A A . 40 LYS CA 1 1 5 4428 1 1 40 LYS CB C 4.292 7.232 10.818 1.00 . A A . 40 LYS CB 1 1 5 4429 1 1 40 LYS CD C 5.583 7.452 12.963 1.00 . A A . 40 LYS CD 1 1 5 4430 1 1 40 LYS CE C 5.721 5.961 13.230 1.00 . A A . 40 LYS CE 1 1 5 4431 1 1 40 LYS CG C 4.285 7.773 12.239 1.00 . A A . 40 LYS CG 1 1 5 4432 1 1 40 LYS H H 3.476 5.858 8.678 1.00 . A A . 40 LYS H 1 1 5 4433 1 1 40 LYS HA H 2.155 7.258 10.888 1.00 . A A . 40 LYS HA 1 1 5 4434 1 1 40 LYS HB2 H 4.621 6.204 10.849 1.00 . A A . 40 LYS HB2 1 1 5 4435 1 1 40 LYS HB3 H 4.997 7.809 10.239 1.00 . A A . 40 LYS HB3 1 1 5 4436 1 1 40 LYS HD2 H 6.413 7.776 12.354 1.00 . A A . 40 LYS HD2 1 1 5 4437 1 1 40 LYS HD3 H 5.597 7.980 13.905 1.00 . A A . 40 LYS HD3 1 1 5 4438 1 1 40 LYS HE2 H 5.938 5.815 14.277 1.00 . A A . 40 LYS HE2 1 1 5 4439 1 1 40 LYS HE3 H 4.788 5.475 12.985 1.00 . A A . 40 LYS HE3 1 1 5 4440 1 1 40 LYS HG2 H 4.159 8.845 12.205 1.00 . A A . 40 LYS HG2 1 1 5 4441 1 1 40 LYS HG3 H 3.462 7.329 12.779 1.00 . A A . 40 LYS HG3 1 1 5 4442 1 1 40 LYS HZ1 H 7.527 6.071 12.186 1.00 . A A . 40 LYS HZ1 1 1 5 4443 1 1 40 LYS HZ2 H 6.428 4.960 11.538 1.00 . A A . 40 LYS HZ2 1 1 5 4444 1 1 40 LYS HZ3 H 7.270 4.586 12.956 1.00 . A A . 40 LYS HZ3 1 1 5 4445 1 1 40 LYS N N 2.743 6.136 9.263 1.00 . A A . 40 LYS N 1 1 5 4446 1 1 40 LYS NZ N 6.813 5.352 12.421 1.00 . A A . 40 LYS NZ 1 1 5 4447 1 1 40 LYS O O 2.525 9.650 9.936 1.00 . A A . 40 LYS O 1 1 5 4448 1 1 41 ASP C C 1.412 10.162 7.080 1.00 . A A . 41 ASP C 1 1 5 4449 1 1 41 ASP CA C 2.864 9.697 7.189 1.00 . A A . 41 ASP CA 1 1 5 4450 1 1 41 ASP CB C 3.420 9.390 5.797 1.00 . A A . 41 ASP CB 1 1 5 4451 1 1 41 ASP CG C 3.453 10.616 4.906 1.00 . A A . 41 ASP CG 1 1 5 4452 1 1 41 ASP H H 3.175 7.653 7.639 1.00 . A A . 41 ASP H 1 1 5 4453 1 1 41 ASP HA H 3.453 10.482 7.637 1.00 . A A . 41 ASP HA 1 1 5 4454 1 1 41 ASP HB2 H 4.429 9.012 5.894 1.00 . A A . 41 ASP HB2 1 1 5 4455 1 1 41 ASP HB3 H 2.799 8.639 5.326 1.00 . A A . 41 ASP HB3 1 1 5 4456 1 1 41 ASP N N 2.968 8.520 8.043 1.00 . A A . 41 ASP N 1 1 5 4457 1 1 41 ASP O O 0.526 9.375 6.749 1.00 . A A . 41 ASP O 1 1 5 4458 1 1 41 ASP OD1 O 4.356 11.460 5.090 1.00 . A A . 41 ASP OD1 1 1 5 4459 1 1 41 ASP OD2 O 2.576 10.734 4.025 1.00 . A A . 41 ASP OD2 1 1 5 4460 1 1 42 PRO C C -0.665 12.262 5.859 1.00 . A A . 42 PRO C 1 1 5 4461 1 1 42 PRO CA C -0.209 12.008 7.292 1.00 . A A . 42 PRO CA 1 1 5 4462 1 1 42 PRO CB C -0.080 13.326 8.053 1.00 . A A . 42 PRO CB 1 1 5 4463 1 1 42 PRO CD C 2.137 12.467 7.767 1.00 . A A . 42 PRO CD 1 1 5 4464 1 1 42 PRO CG C 1.336 13.739 7.845 1.00 . A A . 42 PRO CG 1 1 5 4465 1 1 42 PRO HA H -0.925 11.370 7.789 1.00 . A A . 42 PRO HA 1 1 5 4466 1 1 42 PRO HB2 H -0.769 14.050 7.644 1.00 . A A . 42 PRO HB2 1 1 5 4467 1 1 42 PRO HB3 H -0.294 13.165 9.099 1.00 . A A . 42 PRO HB3 1 1 5 4468 1 1 42 PRO HD2 H 2.918 12.559 7.026 1.00 . A A . 42 PRO HD2 1 1 5 4469 1 1 42 PRO HD3 H 2.559 12.227 8.732 1.00 . A A . 42 PRO HD3 1 1 5 4470 1 1 42 PRO HG2 H 1.424 14.294 6.923 1.00 . A A . 42 PRO HG2 1 1 5 4471 1 1 42 PRO HG3 H 1.669 14.340 8.678 1.00 . A A . 42 PRO HG3 1 1 5 4472 1 1 42 PRO N N 1.145 11.452 7.360 1.00 . A A . 42 PRO N 1 1 5 4473 1 1 42 PRO O O -1.807 11.974 5.500 1.00 . A A . 42 PRO O 1 1 5 4474 1 1 43 THR C C -0.532 11.847 2.911 1.00 . A A . 43 THR C 1 1 5 4475 1 1 43 THR CA C -0.078 13.104 3.649 1.00 . A A . 43 THR CA 1 1 5 4476 1 1 43 THR CB C 1.140 13.712 2.947 1.00 . A A . 43 THR CB 1 1 5 4477 1 1 43 THR CG2 C 0.975 15.185 2.634 1.00 . A A . 43 THR CG2 1 1 5 4478 1 1 43 THR H H 1.126 13.016 5.390 1.00 . A A . 43 THR H 1 1 5 4479 1 1 43 THR HA H -0.884 13.822 3.637 1.00 . A A . 43 THR HA 1 1 5 4480 1 1 43 THR HB H 1.300 13.194 2.012 1.00 . A A . 43 THR HB 1 1 5 4481 1 1 43 THR HG1 H 2.314 14.236 4.428 1.00 . A A . 43 THR HG1 1 1 5 4482 1 1 43 THR HG21 H 0.983 15.329 1.564 1.00 . A A . 43 THR HG21 1 1 5 4483 1 1 43 THR HG22 H 1.787 15.740 3.078 1.00 . A A . 43 THR HG22 1 1 5 4484 1 1 43 THR HG23 H 0.036 15.536 3.038 1.00 . A A . 43 THR HG23 1 1 5 4485 1 1 43 THR N N 0.233 12.807 5.044 1.00 . A A . 43 THR N 1 1 5 4486 1 1 43 THR O O -1.457 11.891 2.100 1.00 . A A . 43 THR O 1 1 5 4487 1 1 43 THR OG1 O 2.307 13.567 3.740 1.00 . A A . 43 THR OG1 1 1 5 4488 1 1 44 TYR C C -1.166 8.643 3.429 1.00 . A A . 44 TYR C 1 1 5 4489 1 1 44 TYR CA C -0.209 9.459 2.563 1.00 . A A . 44 TYR CA 1 1 5 4490 1 1 44 TYR CB C 1.062 8.654 2.295 1.00 . A A . 44 TYR CB 1 1 5 4491 1 1 44 TYR CD1 C 1.418 9.334 -0.110 1.00 . A A . 44 TYR CD1 1 1 5 4492 1 1 44 TYR CD2 C 3.216 9.643 1.424 1.00 . A A . 44 TYR CD2 1 1 5 4493 1 1 44 TYR CE1 C 2.194 9.852 -1.130 1.00 . A A . 44 TYR CE1 1 1 5 4494 1 1 44 TYR CE2 C 3.998 10.163 0.410 1.00 . A A . 44 TYR CE2 1 1 5 4495 1 1 44 TYR CG C 1.915 9.221 1.182 1.00 . A A . 44 TYR CG 1 1 5 4496 1 1 44 TYR CZ C 3.482 10.265 -0.865 1.00 . A A . 44 TYR CZ 1 1 5 4497 1 1 44 TYR H H 0.854 10.757 3.854 1.00 . A A . 44 TYR H 1 1 5 4498 1 1 44 TYR HA H -0.691 9.677 1.622 1.00 . A A . 44 TYR HA 1 1 5 4499 1 1 44 TYR HB2 H 1.660 8.633 3.193 1.00 . A A . 44 TYR HB2 1 1 5 4500 1 1 44 TYR HB3 H 0.790 7.644 2.025 1.00 . A A . 44 TYR HB3 1 1 5 4501 1 1 44 TYR HD1 H 0.408 9.010 -0.315 1.00 . A A . 44 TYR HD1 1 1 5 4502 1 1 44 TYR HD2 H 3.617 9.561 2.424 1.00 . A A . 44 TYR HD2 1 1 5 4503 1 1 44 TYR HE1 H 1.789 9.932 -2.128 1.00 . A A . 44 TYR HE1 1 1 5 4504 1 1 44 TYR HE2 H 5.007 10.486 0.618 1.00 . A A . 44 TYR HE2 1 1 5 4505 1 1 44 TYR HH H 5.013 10.209 -2.027 1.00 . A A . 44 TYR HH 1 1 5 4506 1 1 44 TYR N N 0.126 10.729 3.198 1.00 . A A . 44 TYR N 1 1 5 4507 1 1 44 TYR O O -1.339 7.443 3.216 1.00 . A A . 44 TYR O 1 1 5 4508 1 1 44 TYR OH O 4.258 10.781 -1.878 1.00 . A A . 44 TYR OH 1 1 5 4509 1 1 45 GLY C C -4.004 8.230 4.591 1.00 . A A . 45 GLY C 1 1 5 4510 1 1 45 GLY CA C -2.712 8.614 5.288 1.00 . A A . 45 GLY CA 1 1 5 4511 1 1 45 GLY H H -1.608 10.253 4.533 1.00 . A A . 45 GLY H 1 1 5 4512 1 1 45 GLY HA2 H -2.240 7.719 5.665 1.00 . A A . 45 GLY HA2 1 1 5 4513 1 1 45 GLY HA3 H -2.945 9.263 6.120 1.00 . A A . 45 GLY HA3 1 1 5 4514 1 1 45 GLY N N -1.784 9.298 4.407 1.00 . A A . 45 GLY N 1 1 5 4515 1 1 45 GLY O O -4.679 7.286 5.002 1.00 . A A . 45 GLY O 1 1 5 4516 1 1 46 GLN C C -5.428 7.396 1.982 1.00 . A A . 46 GLN C 1 1 5 4517 1 1 46 GLN CA C -5.566 8.685 2.783 1.00 . A A . 46 GLN CA 1 1 5 4518 1 1 46 GLN CB C -5.886 9.851 1.846 1.00 . A A . 46 GLN CB 1 1 5 4519 1 1 46 GLN CD C -6.650 12.249 1.623 1.00 . A A . 46 GLN CD 1 1 5 4520 1 1 46 GLN CG C -6.300 11.120 2.574 1.00 . A A . 46 GLN CG 1 1 5 4521 1 1 46 GLN H H -3.772 9.695 3.251 1.00 . A A . 46 GLN H 1 1 5 4522 1 1 46 GLN HA H -6.369 8.573 3.492 1.00 . A A . 46 GLN HA 1 1 5 4523 1 1 46 GLN HB2 H -5.012 10.072 1.252 1.00 . A A . 46 GLN HB2 1 1 5 4524 1 1 46 GLN HB3 H -6.692 9.559 1.190 1.00 . A A . 46 GLN HB3 1 1 5 4525 1 1 46 GLN HE21 H -4.902 13.128 1.992 1.00 . A A . 46 GLN HE21 1 1 5 4526 1 1 46 GLN HE22 H -5.941 13.949 0.868 1.00 . A A . 46 GLN HE22 1 1 5 4527 1 1 46 GLN HG2 H -7.164 10.905 3.185 1.00 . A A . 46 GLN HG2 1 1 5 4528 1 1 46 GLN HG3 H -5.484 11.441 3.205 1.00 . A A . 46 GLN HG3 1 1 5 4529 1 1 46 GLN N N -4.348 8.959 3.534 1.00 . A A . 46 GLN N 1 1 5 4530 1 1 46 GLN NE2 N -5.739 13.205 1.480 1.00 . A A . 46 GLN NE2 1 1 5 4531 1 1 46 GLN O O -6.416 6.717 1.701 1.00 . A A . 46 GLN O 1 1 5 4532 1 1 46 GLN OE1 O -7.725 12.260 1.024 1.00 . A A . 46 GLN OE1 1 1 5 4533 1 1 47 TYR C C -4.056 4.615 1.714 1.00 . A A . 47 TYR C 1 1 5 4534 1 1 47 TYR CA C -3.917 5.861 0.847 1.00 . A A . 47 TYR CA 1 1 5 4535 1 1 47 TYR CB C -2.515 5.925 0.265 1.00 . A A . 47 TYR CB 1 1 5 4536 1 1 47 TYR CD1 C -2.776 5.559 -2.215 1.00 . A A . 47 TYR CD1 1 1 5 4537 1 1 47 TYR CD2 C -1.720 3.852 -0.929 1.00 . A A . 47 TYR CD2 1 1 5 4538 1 1 47 TYR CE1 C -2.610 4.804 -3.360 1.00 . A A . 47 TYR CE1 1 1 5 4539 1 1 47 TYR CE2 C -1.551 3.091 -2.069 1.00 . A A . 47 TYR CE2 1 1 5 4540 1 1 47 TYR CG C -2.335 5.096 -0.983 1.00 . A A . 47 TYR CG 1 1 5 4541 1 1 47 TYR CZ C -1.996 3.571 -3.281 1.00 . A A . 47 TYR CZ 1 1 5 4542 1 1 47 TYR H H -3.449 7.649 1.871 1.00 . A A . 47 TYR H 1 1 5 4543 1 1 47 TYR HA H -4.620 5.807 0.043 1.00 . A A . 47 TYR HA 1 1 5 4544 1 1 47 TYR HB2 H -2.273 6.951 0.023 1.00 . A A . 47 TYR HB2 1 1 5 4545 1 1 47 TYR HB3 H -1.828 5.559 1.003 1.00 . A A . 47 TYR HB3 1 1 5 4546 1 1 47 TYR HD1 H -3.256 6.525 -2.271 1.00 . A A . 47 TYR HD1 1 1 5 4547 1 1 47 TYR HD2 H -1.373 3.480 0.024 1.00 . A A . 47 TYR HD2 1 1 5 4548 1 1 47 TYR HE1 H -2.959 5.181 -4.310 1.00 . A A . 47 TYR HE1 1 1 5 4549 1 1 47 TYR HE2 H -1.071 2.126 -2.007 1.00 . A A . 47 TYR HE2 1 1 5 4550 1 1 47 TYR HH H -1.345 3.327 -5.072 1.00 . A A . 47 TYR HH 1 1 5 4551 1 1 47 TYR N N -4.194 7.066 1.617 1.00 . A A . 47 TYR N 1 1 5 4552 1 1 47 TYR O O -4.667 3.627 1.308 1.00 . A A . 47 TYR O 1 1 5 4553 1 1 47 TYR OH O -1.827 2.817 -4.418 1.00 . A A . 47 TYR OH 1 1 5 4554 1 1 48 ILE C C -4.917 3.358 4.419 1.00 . A A . 48 ILE C 1 1 5 4555 1 1 48 ILE CA C -3.522 3.545 3.831 1.00 . A A . 48 ILE CA 1 1 5 4556 1 1 48 ILE CB C -2.508 3.724 4.978 1.00 . A A . 48 ILE CB 1 1 5 4557 1 1 48 ILE CD1 C -0.030 4.069 5.463 1.00 . A A . 48 ILE CD1 1 1 5 4558 1 1 48 ILE CG1 C -1.112 3.990 4.409 1.00 . A A . 48 ILE CG1 1 1 5 4559 1 1 48 ILE CG2 C -2.499 2.497 5.882 1.00 . A A . 48 ILE CG2 1 1 5 4560 1 1 48 ILE H H -2.997 5.479 3.169 1.00 . A A . 48 ILE H 1 1 5 4561 1 1 48 ILE HA H -3.253 2.657 3.281 1.00 . A A . 48 ILE HA 1 1 5 4562 1 1 48 ILE HB H -2.815 4.573 5.570 1.00 . A A . 48 ILE HB 1 1 5 4563 1 1 48 ILE HD11 H -0.033 3.163 6.051 1.00 . A A . 48 ILE HD11 1 1 5 4564 1 1 48 ILE HD12 H -0.215 4.917 6.107 1.00 . A A . 48 ILE HD12 1 1 5 4565 1 1 48 ILE HD13 H 0.931 4.184 4.984 1.00 . A A . 48 ILE HD13 1 1 5 4566 1 1 48 ILE HG12 H -0.851 3.194 3.728 1.00 . A A . 48 ILE HG12 1 1 5 4567 1 1 48 ILE HG13 H -1.123 4.927 3.872 1.00 . A A . 48 ILE HG13 1 1 5 4568 1 1 48 ILE HG21 H -2.729 2.794 6.895 1.00 . A A . 48 ILE HG21 1 1 5 4569 1 1 48 ILE HG22 H -1.522 2.036 5.856 1.00 . A A . 48 ILE HG22 1 1 5 4570 1 1 48 ILE HG23 H -3.239 1.789 5.538 1.00 . A A . 48 ILE HG23 1 1 5 4571 1 1 48 ILE N N -3.475 4.668 2.907 1.00 . A A . 48 ILE N 1 1 5 4572 1 1 48 ILE O O -5.314 2.239 4.742 1.00 . A A . 48 ILE O 1 1 5 4573 1 1 49 ARG C C -8.036 3.953 4.081 1.00 . A A . 49 ARG C 1 1 5 4574 1 1 49 ARG CA C -7.008 4.388 5.118 1.00 . A A . 49 ARG CA 1 1 5 4575 1 1 49 ARG CB C -7.406 5.736 5.722 1.00 . A A . 49 ARG CB 1 1 5 4576 1 1 49 ARG CD C -7.427 6.292 8.175 1.00 . A A . 49 ARG CD 1 1 5 4577 1 1 49 ARG CG C -6.571 6.134 6.929 1.00 . A A . 49 ARG CG 1 1 5 4578 1 1 49 ARG CZ C -7.387 8.727 8.556 1.00 . A A . 49 ARG CZ 1 1 5 4579 1 1 49 ARG H H -5.293 5.321 4.291 1.00 . A A . 49 ARG H 1 1 5 4580 1 1 49 ARG HA H -6.991 3.648 5.894 1.00 . A A . 49 ARG HA 1 1 5 4581 1 1 49 ARG HB2 H -7.296 6.501 4.967 1.00 . A A . 49 ARG HB2 1 1 5 4582 1 1 49 ARG HB3 H -8.442 5.690 6.025 1.00 . A A . 49 ARG HB3 1 1 5 4583 1 1 49 ARG HD2 H -8.202 5.541 8.161 1.00 . A A . 49 ARG HD2 1 1 5 4584 1 1 49 ARG HD3 H -6.803 6.148 9.045 1.00 . A A . 49 ARG HD3 1 1 5 4585 1 1 49 ARG HE H -9.007 7.672 8.060 1.00 . A A . 49 ARG HE 1 1 5 4586 1 1 49 ARG HG2 H -5.830 5.369 7.109 1.00 . A A . 49 ARG HG2 1 1 5 4587 1 1 49 ARG HG3 H -6.078 7.072 6.720 1.00 . A A . 49 ARG HG3 1 1 5 4588 1 1 49 ARG HH11 H -5.597 7.813 8.787 1.00 . A A . 49 ARG HH11 1 1 5 4589 1 1 49 ARG HH12 H -5.596 9.525 9.049 1.00 . A A . 49 ARG HH12 1 1 5 4590 1 1 49 ARG HH21 H -9.009 9.923 8.406 1.00 . A A . 49 ARG HH21 1 1 5 4591 1 1 49 ARG HH22 H -7.534 10.723 8.833 1.00 . A A . 49 ARG HH22 1 1 5 4592 1 1 49 ARG N N -5.659 4.453 4.562 1.00 . A A . 49 ARG N 1 1 5 4593 1 1 49 ARG NE N -8.048 7.612 8.249 1.00 . A A . 49 ARG NE 1 1 5 4594 1 1 49 ARG NH1 N -6.087 8.685 8.819 1.00 . A A . 49 ARG NH1 1 1 5 4595 1 1 49 ARG NH2 N -8.029 9.886 8.602 1.00 . A A . 49 ARG NH2 1 1 5 4596 1 1 49 ARG O O -9.230 4.217 4.224 1.00 . A A . 49 ARG O 1 1 5 4597 1 1 50 SER C C -9.110 1.476 2.422 1.00 . A A . 50 SER C 1 1 5 4598 1 1 50 SER CA C -8.434 2.777 1.996 1.00 . A A . 50 SER CA 1 1 5 4599 1 1 50 SER CB C -7.633 2.561 0.723 1.00 . A A . 50 SER CB 1 1 5 4600 1 1 50 SER H H -6.614 3.081 3.009 1.00 . A A . 50 SER H 1 1 5 4601 1 1 50 SER HA H -9.189 3.515 1.808 1.00 . A A . 50 SER HA 1 1 5 4602 1 1 50 SER HB2 H -6.778 3.224 0.719 1.00 . A A . 50 SER HB2 1 1 5 4603 1 1 50 SER HB3 H -7.303 1.544 0.697 1.00 . A A . 50 SER HB3 1 1 5 4604 1 1 50 SER HG H -8.452 3.767 -0.586 1.00 . A A . 50 SER HG 1 1 5 4605 1 1 50 SER N N -7.567 3.272 3.051 1.00 . A A . 50 SER N 1 1 5 4606 1 1 50 SER O O -8.547 0.705 3.200 1.00 . A A . 50 SER O 1 1 5 4607 1 1 50 SER OG O -8.417 2.820 -0.429 1.00 . A A . 50 SER OG 1 1 5 4608 1 1 51 PRO C C -10.474 -1.247 1.579 1.00 . A A . 51 PRO C 1 1 5 4609 1 1 51 PRO CA C -11.061 -0.013 2.258 1.00 . A A . 51 PRO CA 1 1 5 4610 1 1 51 PRO CB C -12.469 0.268 1.736 1.00 . A A . 51 PRO CB 1 1 5 4611 1 1 51 PRO CD C -11.077 2.065 0.982 1.00 . A A . 51 PRO CD 1 1 5 4612 1 1 51 PRO CG C -12.270 1.225 0.611 1.00 . A A . 51 PRO CG 1 1 5 4613 1 1 51 PRO HA H -11.094 -0.172 3.327 1.00 . A A . 51 PRO HA 1 1 5 4614 1 1 51 PRO HB2 H -12.921 -0.653 1.397 1.00 . A A . 51 PRO HB2 1 1 5 4615 1 1 51 PRO HB3 H -13.069 0.703 2.521 1.00 . A A . 51 PRO HB3 1 1 5 4616 1 1 51 PRO HD2 H -10.486 2.286 0.106 1.00 . A A . 51 PRO HD2 1 1 5 4617 1 1 51 PRO HD3 H -11.393 2.978 1.465 1.00 . A A . 51 PRO HD3 1 1 5 4618 1 1 51 PRO HG2 H -12.077 0.682 -0.302 1.00 . A A . 51 PRO HG2 1 1 5 4619 1 1 51 PRO HG3 H -13.145 1.848 0.500 1.00 . A A . 51 PRO HG3 1 1 5 4620 1 1 51 PRO N N -10.326 1.207 1.919 1.00 . A A . 51 PRO N 1 1 5 4621 1 1 51 PRO O O -10.314 -2.295 2.204 1.00 . A A . 51 PRO O 1 1 5 4622 1 1 52 HIS C C -8.096 -2.369 -0.226 1.00 . A A . 52 HIS C 1 1 5 4623 1 1 52 HIS CA C -9.595 -2.216 -0.478 1.00 . A A . 52 HIS CA 1 1 5 4624 1 1 52 HIS CB C -9.850 -2.002 -1.973 1.00 . A A . 52 HIS CB 1 1 5 4625 1 1 52 HIS CD2 C -11.492 -0.162 -2.780 1.00 . A A . 52 HIS CD2 1 1 5 4626 1 1 52 HIS CE1 C -13.373 -1.226 -2.409 1.00 . A A . 52 HIS CE1 1 1 5 4627 1 1 52 HIS CG C -11.178 -1.379 -2.275 1.00 . A A . 52 HIS CG 1 1 5 4628 1 1 52 HIS H H -10.316 -0.252 -0.147 1.00 . A A . 52 HIS H 1 1 5 4629 1 1 52 HIS HA H -10.091 -3.121 -0.167 1.00 . A A . 52 HIS HA 1 1 5 4630 1 1 52 HIS HB2 H -9.083 -1.356 -2.372 1.00 . A A . 52 HIS HB2 1 1 5 4631 1 1 52 HIS HB3 H -9.807 -2.956 -2.477 1.00 . A A . 52 HIS HB3 1 1 5 4632 1 1 52 HIS HD1 H -12.486 -2.924 -1.688 1.00 . A A . 52 HIS HD1 1 1 5 4633 1 1 52 HIS HD2 H -10.794 0.611 -3.070 1.00 . A A . 52 HIS HD2 1 1 5 4634 1 1 52 HIS HE1 H -14.424 -1.463 -2.345 1.00 . A A . 52 HIS HE1 1 1 5 4635 1 1 52 HIS HE2 H -13.374 0.639 -3.255 1.00 . A A . 52 HIS HE2 1 1 5 4636 1 1 52 HIS N N -10.161 -1.113 0.295 1.00 . A A . 52 HIS N 1 1 5 4637 1 1 52 HIS ND1 N -12.379 -2.021 -2.052 1.00 . A A . 52 HIS ND1 1 1 5 4638 1 1 52 HIS NE2 N -12.862 -0.093 -2.853 1.00 . A A . 52 HIS NE2 1 1 5 4639 1 1 52 HIS O O -7.511 -3.405 -0.542 1.00 . A A . 52 HIS O 1 1 5 4640 1 1 53 ALA C C -5.665 -2.572 1.454 1.00 . A A . 53 ALA C 1 1 5 4641 1 1 53 ALA CA C -6.045 -1.362 0.615 1.00 . A A . 53 ALA CA 1 1 5 4642 1 1 53 ALA CB C -5.615 -0.083 1.317 1.00 . A A . 53 ALA CB 1 1 5 4643 1 1 53 ALA H H -7.985 -0.535 0.561 1.00 . A A . 53 ALA H 1 1 5 4644 1 1 53 ALA HA H -5.532 -1.415 -0.323 1.00 . A A . 53 ALA HA 1 1 5 4645 1 1 53 ALA HB1 H -6.369 0.205 2.035 1.00 . A A . 53 ALA HB1 1 1 5 4646 1 1 53 ALA HB2 H -5.494 0.705 0.587 1.00 . A A . 53 ALA HB2 1 1 5 4647 1 1 53 ALA HB3 H -4.678 -0.249 1.827 1.00 . A A . 53 ALA HB3 1 1 5 4648 1 1 53 ALA N N -7.474 -1.335 0.336 1.00 . A A . 53 ALA N 1 1 5 4649 1 1 53 ALA O O -4.719 -3.294 1.140 1.00 . A A . 53 ALA O 1 1 5 4650 1 1 54 ARG C C -6.255 -5.221 2.707 1.00 . A A . 54 ARG C 1 1 5 4651 1 1 54 ARG CA C -6.169 -3.887 3.432 1.00 . A A . 54 ARG CA 1 1 5 4652 1 1 54 ARG CB C -7.168 -3.857 4.591 1.00 . A A . 54 ARG CB 1 1 5 4653 1 1 54 ARG CD C -8.464 -2.356 6.135 1.00 . A A . 54 ARG CD 1 1 5 4654 1 1 54 ARG CG C -7.171 -2.544 5.357 1.00 . A A . 54 ARG CG 1 1 5 4655 1 1 54 ARG CZ C -10.847 -2.890 5.806 1.00 . A A . 54 ARG CZ 1 1 5 4656 1 1 54 ARG H H -7.138 -2.157 2.711 1.00 . A A . 54 ARG H 1 1 5 4657 1 1 54 ARG HA H -5.179 -3.773 3.822 1.00 . A A . 54 ARG HA 1 1 5 4658 1 1 54 ARG HB2 H -8.160 -4.023 4.199 1.00 . A A . 54 ARG HB2 1 1 5 4659 1 1 54 ARG HB3 H -6.925 -4.651 5.281 1.00 . A A . 54 ARG HB3 1 1 5 4660 1 1 54 ARG HD2 H -8.467 -3.040 6.971 1.00 . A A . 54 ARG HD2 1 1 5 4661 1 1 54 ARG HD3 H -8.504 -1.341 6.501 1.00 . A A . 54 ARG HD3 1 1 5 4662 1 1 54 ARG HE H -9.531 -2.575 4.338 1.00 . A A . 54 ARG HE 1 1 5 4663 1 1 54 ARG HG2 H -6.343 -2.540 6.049 1.00 . A A . 54 ARG HG2 1 1 5 4664 1 1 54 ARG HG3 H -7.062 -1.729 4.656 1.00 . A A . 54 ARG HG3 1 1 5 4665 1 1 54 ARG HH11 H -10.275 -2.775 7.742 1.00 . A A . 54 ARG HH11 1 1 5 4666 1 1 54 ARG HH12 H -11.945 -3.153 7.483 1.00 . A A . 54 ARG HH12 1 1 5 4667 1 1 54 ARG HH21 H -11.727 -3.073 3.995 1.00 . A A . 54 ARG HH21 1 1 5 4668 1 1 54 ARG HH22 H -12.769 -3.323 5.356 1.00 . A A . 54 ARG HH22 1 1 5 4669 1 1 54 ARG N N -6.410 -2.776 2.524 1.00 . A A . 54 ARG N 1 1 5 4670 1 1 54 ARG NE N -9.643 -2.611 5.311 1.00 . A A . 54 ARG NE 1 1 5 4671 1 1 54 ARG NH1 N -11.037 -2.944 7.118 1.00 . A A . 54 ARG NH1 1 1 5 4672 1 1 54 ARG NH2 N -11.864 -3.114 4.985 1.00 . A A . 54 ARG NH2 1 1 5 4673 1 1 54 ARG O O -5.486 -6.142 2.980 1.00 . A A . 54 ARG O 1 1 5 4674 1 1 55 ASP C C -6.205 -6.790 0.100 1.00 . A A . 55 ASP C 1 1 5 4675 1 1 55 ASP CA C -7.391 -6.535 1.014 1.00 . A A . 55 ASP CA 1 1 5 4676 1 1 55 ASP CB C -8.672 -6.454 0.197 1.00 . A A . 55 ASP CB 1 1 5 4677 1 1 55 ASP CG C -9.244 -7.822 -0.119 1.00 . A A . 55 ASP CG 1 1 5 4678 1 1 55 ASP H H -7.773 -4.544 1.618 1.00 . A A . 55 ASP H 1 1 5 4679 1 1 55 ASP HA H -7.472 -7.344 1.698 1.00 . A A . 55 ASP HA 1 1 5 4680 1 1 55 ASP HB2 H -9.413 -5.890 0.748 1.00 . A A . 55 ASP HB2 1 1 5 4681 1 1 55 ASP HB3 H -8.454 -5.955 -0.727 1.00 . A A . 55 ASP HB3 1 1 5 4682 1 1 55 ASP N N -7.197 -5.315 1.784 1.00 . A A . 55 ASP N 1 1 5 4683 1 1 55 ASP O O -5.734 -7.920 -0.030 1.00 . A A . 55 ASP O 1 1 5 4684 1 1 55 ASP OD1 O -8.455 -8.785 -0.225 1.00 . A A . 55 ASP OD1 1 1 5 4685 1 1 55 ASP OD2 O -10.480 -7.931 -0.261 1.00 . A A . 55 ASP OD2 1 1 5 4686 1 1 56 THR C C -3.366 -6.357 -0.709 1.00 . A A . 56 THR C 1 1 5 4687 1 1 56 THR CA C -4.595 -5.813 -1.427 1.00 . A A . 56 THR CA 1 1 5 4688 1 1 56 THR CB C -4.292 -4.446 -2.018 1.00 . A A . 56 THR CB 1 1 5 4689 1 1 56 THR CG2 C -3.581 -4.510 -3.353 1.00 . A A . 56 THR CG2 1 1 5 4690 1 1 56 THR H H -6.148 -4.864 -0.373 1.00 . A A . 56 THR H 1 1 5 4691 1 1 56 THR HA H -4.857 -6.477 -2.220 1.00 . A A . 56 THR HA 1 1 5 4692 1 1 56 THR HB H -3.661 -3.919 -1.333 1.00 . A A . 56 THR HB 1 1 5 4693 1 1 56 THR HG1 H -5.533 -3.012 -1.527 1.00 . A A . 56 THR HG1 1 1 5 4694 1 1 56 THR HG21 H -3.327 -3.511 -3.674 1.00 . A A . 56 THR HG21 1 1 5 4695 1 1 56 THR HG22 H -4.229 -4.971 -4.084 1.00 . A A . 56 THR HG22 1 1 5 4696 1 1 56 THR HG23 H -2.679 -5.096 -3.252 1.00 . A A . 56 THR HG23 1 1 5 4697 1 1 56 THR N N -5.728 -5.728 -0.525 1.00 . A A . 56 THR N 1 1 5 4698 1 1 56 THR O O -2.688 -7.255 -1.208 1.00 . A A . 56 THR O 1 1 5 4699 1 1 56 THR OG1 O -5.482 -3.699 -2.197 1.00 . A A . 56 THR OG1 1 1 5 4700 1 1 57 LEU C C -2.062 -7.698 1.638 1.00 . A A . 57 LEU C 1 1 5 4701 1 1 57 LEU CA C -1.943 -6.232 1.256 1.00 . A A . 57 LEU CA 1 1 5 4702 1 1 57 LEU CB C -1.813 -5.363 2.503 1.00 . A A . 57 LEU CB 1 1 5 4703 1 1 57 LEU CD1 C -1.424 -2.889 2.389 1.00 . A A . 57 LEU CD1 1 1 5 4704 1 1 57 LEU CD2 C 0.220 -4.354 3.573 1.00 . A A . 57 LEU CD2 1 1 5 4705 1 1 57 LEU CG C -0.762 -4.258 2.415 1.00 . A A . 57 LEU CG 1 1 5 4706 1 1 57 LEU H H -3.659 -5.096 0.813 1.00 . A A . 57 LEU H 1 1 5 4707 1 1 57 LEU HA H -1.076 -6.104 0.656 1.00 . A A . 57 LEU HA 1 1 5 4708 1 1 57 LEU HB2 H -2.767 -4.902 2.680 1.00 . A A . 57 LEU HB2 1 1 5 4709 1 1 57 LEU HB3 H -1.569 -6.000 3.343 1.00 . A A . 57 LEU HB3 1 1 5 4710 1 1 57 LEU HD11 H -0.864 -2.230 1.742 1.00 . A A . 57 LEU HD11 1 1 5 4711 1 1 57 LEU HD12 H -1.445 -2.480 3.388 1.00 . A A . 57 LEU HD12 1 1 5 4712 1 1 57 LEU HD13 H -2.434 -2.984 2.018 1.00 . A A . 57 LEU HD13 1 1 5 4713 1 1 57 LEU HD21 H 0.465 -3.362 3.921 1.00 . A A . 57 LEU HD21 1 1 5 4714 1 1 57 LEU HD22 H 1.120 -4.852 3.242 1.00 . A A . 57 LEU HD22 1 1 5 4715 1 1 57 LEU HD23 H -0.227 -4.918 4.378 1.00 . A A . 57 LEU HD23 1 1 5 4716 1 1 57 LEU HG H -0.212 -4.376 1.497 1.00 . A A . 57 LEU HG 1 1 5 4717 1 1 57 LEU N N -3.085 -5.806 0.468 1.00 . A A . 57 LEU N 1 1 5 4718 1 1 57 LEU O O -1.132 -8.481 1.449 1.00 . A A . 57 LEU O 1 1 5 4719 1 1 58 THR C C -3.407 -10.362 1.384 1.00 . A A . 58 THR C 1 1 5 4720 1 1 58 THR CA C -3.475 -9.426 2.581 1.00 . A A . 58 THR CA 1 1 5 4721 1 1 58 THR CB C -4.840 -9.537 3.262 1.00 . A A . 58 THR CB 1 1 5 4722 1 1 58 THR CG2 C -4.947 -10.721 4.198 1.00 . A A . 58 THR CG2 1 1 5 4723 1 1 58 THR H H -3.909 -7.386 2.290 1.00 . A A . 58 THR H 1 1 5 4724 1 1 58 THR HA H -2.707 -9.703 3.279 1.00 . A A . 58 THR HA 1 1 5 4725 1 1 58 THR HB H -5.602 -9.645 2.504 1.00 . A A . 58 THR HB 1 1 5 4726 1 1 58 THR HG1 H -4.520 -8.317 4.760 1.00 . A A . 58 THR HG1 1 1 5 4727 1 1 58 THR HG21 H -5.055 -10.370 5.213 1.00 . A A . 58 THR HG21 1 1 5 4728 1 1 58 THR HG22 H -4.054 -11.325 4.119 1.00 . A A . 58 THR HG22 1 1 5 4729 1 1 58 THR HG23 H -5.808 -11.315 3.930 1.00 . A A . 58 THR HG23 1 1 5 4730 1 1 58 THR N N -3.217 -8.057 2.172 1.00 . A A . 58 THR N 1 1 5 4731 1 1 58 THR O O -2.824 -11.443 1.463 1.00 . A A . 58 THR O 1 1 5 4732 1 1 58 THR OG1 O -5.121 -8.370 4.014 1.00 . A A . 58 THR OG1 1 1 5 4733 1 1 59 SER C C -2.552 -11.131 -1.283 1.00 . A A . 59 SER C 1 1 5 4734 1 1 59 SER CA C -3.975 -10.727 -0.946 1.00 . A A . 59 SER CA 1 1 5 4735 1 1 59 SER CB C -4.575 -9.934 -2.091 1.00 . A A . 59 SER CB 1 1 5 4736 1 1 59 SER H H -4.427 -9.061 0.256 1.00 . A A . 59 SER H 1 1 5 4737 1 1 59 SER HA H -4.560 -11.600 -0.783 1.00 . A A . 59 SER HA 1 1 5 4738 1 1 59 SER HB2 H -5.366 -9.305 -1.713 1.00 . A A . 59 SER HB2 1 1 5 4739 1 1 59 SER HB3 H -3.806 -9.326 -2.521 1.00 . A A . 59 SER HB3 1 1 5 4740 1 1 59 SER HG H -6.057 -10.705 -3.114 1.00 . A A . 59 SER HG 1 1 5 4741 1 1 59 SER N N -3.990 -9.935 0.268 1.00 . A A . 59 SER N 1 1 5 4742 1 1 59 SER O O -2.298 -12.218 -1.802 1.00 . A A . 59 SER O 1 1 5 4743 1 1 59 SER OG O -5.101 -10.789 -3.091 1.00 . A A . 59 SER OG 1 1 5 4744 1 1 60 CYS C C 0.367 -11.350 -0.108 1.00 . A A . 60 CYS C 1 1 5 4745 1 1 60 CYS CA C -0.220 -10.466 -1.202 1.00 . A A . 60 CYS CA 1 1 5 4746 1 1 60 CYS CB C 0.510 -9.128 -1.246 1.00 . A A . 60 CYS CB 1 1 5 4747 1 1 60 CYS H H -1.905 -9.398 -0.545 1.00 . A A . 60 CYS H 1 1 5 4748 1 1 60 CYS HA H -0.114 -10.962 -2.154 1.00 . A A . 60 CYS HA 1 1 5 4749 1 1 60 CYS HB2 H -0.205 -8.342 -1.439 1.00 . A A . 60 CYS HB2 1 1 5 4750 1 1 60 CYS HB3 H 0.971 -8.952 -0.288 1.00 . A A . 60 CYS HB3 1 1 5 4751 1 1 60 CYS N N -1.628 -10.238 -0.964 1.00 . A A . 60 CYS N 1 1 5 4752 1 1 60 CYS O O 1.269 -12.149 -0.358 1.00 . A A . 60 CYS O 1 1 5 4753 1 1 60 CYS SG S 1.802 -9.030 -2.528 1.00 . A A . 60 CYS SG 1 1 5 4754 1 1 61 GLY C C 1.761 -11.662 2.592 1.00 . A A . 61 GLY C 1 1 5 4755 1 1 61 GLY CA C 0.330 -11.994 2.221 1.00 . A A . 61 GLY CA 1 1 5 4756 1 1 61 GLY H H -0.875 -10.548 1.253 1.00 . A A . 61 GLY H 1 1 5 4757 1 1 61 GLY HA2 H -0.303 -11.815 3.078 1.00 . A A . 61 GLY HA2 1 1 5 4758 1 1 61 GLY HA3 H 0.272 -13.039 1.956 1.00 . A A . 61 GLY HA3 1 1 5 4759 1 1 61 GLY N N -0.154 -11.201 1.109 1.00 . A A . 61 GLY N 1 1 5 4760 1 1 61 GLY O O 2.618 -12.544 2.631 1.00 . A A . 61 GLY O 1 1 5 4761 1 1 62 LEU C C 3.377 -9.474 4.706 1.00 . A A . 62 LEU C 1 1 5 4762 1 1 62 LEU CA C 3.359 -9.954 3.258 1.00 . A A . 62 LEU CA 1 1 5 4763 1 1 62 LEU CB C 3.890 -8.848 2.325 1.00 . A A . 62 LEU CB 1 1 5 4764 1 1 62 LEU CD1 C 2.680 -6.652 2.062 1.00 . A A . 62 LEU CD1 1 1 5 4765 1 1 62 LEU CD2 C 3.244 -8.012 0.050 1.00 . A A . 62 LEU CD2 1 1 5 4766 1 1 62 LEU CG C 2.843 -8.063 1.515 1.00 . A A . 62 LEU CG 1 1 5 4767 1 1 62 LEU H H 1.293 -9.733 2.839 1.00 . A A . 62 LEU H 1 1 5 4768 1 1 62 LEU HA H 4.011 -10.813 3.179 1.00 . A A . 62 LEU HA 1 1 5 4769 1 1 62 LEU HB2 H 4.444 -8.143 2.927 1.00 . A A . 62 LEU HB2 1 1 5 4770 1 1 62 LEU HB3 H 4.577 -9.306 1.628 1.00 . A A . 62 LEU HB3 1 1 5 4771 1 1 62 LEU HD11 H 3.579 -6.361 2.584 1.00 . A A . 62 LEU HD11 1 1 5 4772 1 1 62 LEU HD12 H 1.843 -6.624 2.743 1.00 . A A . 62 LEU HD12 1 1 5 4773 1 1 62 LEU HD13 H 2.501 -5.968 1.246 1.00 . A A . 62 LEU HD13 1 1 5 4774 1 1 62 LEU HD21 H 4.208 -7.534 -0.043 1.00 . A A . 62 LEU HD21 1 1 5 4775 1 1 62 LEU HD22 H 2.509 -7.450 -0.505 1.00 . A A . 62 LEU HD22 1 1 5 4776 1 1 62 LEU HD23 H 3.302 -9.017 -0.341 1.00 . A A . 62 LEU HD23 1 1 5 4777 1 1 62 LEU HG H 1.885 -8.555 1.582 1.00 . A A . 62 LEU HG 1 1 5 4778 1 1 62 LEU N N 2.020 -10.389 2.877 1.00 . A A . 62 LEU N 1 1 5 4779 1 1 62 LEU O O 3.723 -10.228 5.615 1.00 . A A . 62 LEU O 1 1 5 4780 1 1 63 ALA C C 1.903 -6.559 6.356 1.00 . A A . 63 ALA C 1 1 5 4781 1 1 63 ALA CA C 2.970 -7.642 6.247 1.00 . A A . 63 ALA CA 1 1 5 4782 1 1 63 ALA CB C 4.337 -7.083 6.613 1.00 . A A . 63 ALA CB 1 1 5 4783 1 1 63 ALA H H 2.731 -7.672 4.156 1.00 . A A . 63 ALA H 1 1 5 4784 1 1 63 ALA HA H 2.735 -8.433 6.936 1.00 . A A . 63 ALA HA 1 1 5 4785 1 1 63 ALA HB1 H 4.436 -6.084 6.216 1.00 . A A . 63 ALA HB1 1 1 5 4786 1 1 63 ALA HB2 H 5.108 -7.715 6.196 1.00 . A A . 63 ALA HB2 1 1 5 4787 1 1 63 ALA HB3 H 4.438 -7.055 7.688 1.00 . A A . 63 ALA HB3 1 1 5 4788 1 1 63 ALA N N 3.000 -8.219 4.914 1.00 . A A . 63 ALA N 1 1 5 4789 1 1 63 ALA O O 1.463 -6.004 5.351 1.00 . A A . 63 ALA O 1 1 5 4790 1 1 64 VAL C C 1.116 -4.021 8.498 1.00 . A A . 64 VAL C 1 1 5 4791 1 1 64 VAL CA C 0.491 -5.248 7.835 1.00 . A A . 64 VAL CA 1 1 5 4792 1 1 64 VAL CB C -0.642 -5.801 8.726 1.00 . A A . 64 VAL CB 1 1 5 4793 1 1 64 VAL CG1 C -0.155 -6.024 10.151 1.00 . A A . 64 VAL CG1 1 1 5 4794 1 1 64 VAL CG2 C -1.847 -4.873 8.705 1.00 . A A . 64 VAL CG2 1 1 5 4795 1 1 64 VAL H H 1.882 -6.734 8.340 1.00 . A A . 64 VAL H 1 1 5 4796 1 1 64 VAL HA H 0.073 -4.964 6.888 1.00 . A A . 64 VAL HA 1 1 5 4797 1 1 64 VAL HB H -0.945 -6.756 8.325 1.00 . A A . 64 VAL HB 1 1 5 4798 1 1 64 VAL HG11 H -0.956 -6.442 10.743 1.00 . A A . 64 VAL HG11 1 1 5 4799 1 1 64 VAL HG12 H 0.154 -5.081 10.578 1.00 . A A . 64 VAL HG12 1 1 5 4800 1 1 64 VAL HG13 H 0.681 -6.707 10.143 1.00 . A A . 64 VAL HG13 1 1 5 4801 1 1 64 VAL HG21 H -2.589 -5.230 9.404 1.00 . A A . 64 VAL HG21 1 1 5 4802 1 1 64 VAL HG22 H -2.270 -4.854 7.710 1.00 . A A . 64 VAL HG22 1 1 5 4803 1 1 64 VAL HG23 H -1.539 -3.876 8.984 1.00 . A A . 64 VAL HG23 1 1 5 4804 1 1 64 VAL N N 1.496 -6.262 7.585 1.00 . A A . 64 VAL N 1 1 5 4805 1 1 64 VAL O O 1.964 -4.155 9.381 1.00 . A A . 64 VAL O 1 1 5 4806 1 1 65 PRO C C 1.067 -1.496 10.165 1.00 . A A . 65 PRO C 1 1 5 4807 1 1 65 PRO CA C 1.249 -1.562 8.652 1.00 . A A . 65 PRO CA 1 1 5 4808 1 1 65 PRO CB C 0.438 -0.459 7.957 1.00 . A A . 65 PRO CB 1 1 5 4809 1 1 65 PRO CD C -0.286 -2.534 7.040 1.00 . A A . 65 PRO CD 1 1 5 4810 1 1 65 PRO CG C -0.750 -1.151 7.387 1.00 . A A . 65 PRO CG 1 1 5 4811 1 1 65 PRO HA H 2.297 -1.444 8.416 1.00 . A A . 65 PRO HA 1 1 5 4812 1 1 65 PRO HB2 H 0.147 0.289 8.679 1.00 . A A . 65 PRO HB2 1 1 5 4813 1 1 65 PRO HB3 H 1.036 -0.004 7.182 1.00 . A A . 65 PRO HB3 1 1 5 4814 1 1 65 PRO HD2 H -1.105 -3.234 7.091 1.00 . A A . 65 PRO HD2 1 1 5 4815 1 1 65 PRO HD3 H 0.167 -2.548 6.060 1.00 . A A . 65 PRO HD3 1 1 5 4816 1 1 65 PRO HG2 H -1.537 -1.192 8.126 1.00 . A A . 65 PRO HG2 1 1 5 4817 1 1 65 PRO HG3 H -1.088 -0.634 6.502 1.00 . A A . 65 PRO HG3 1 1 5 4818 1 1 65 PRO N N 0.713 -2.804 8.084 1.00 . A A . 65 PRO N 1 1 5 4819 1 1 65 PRO O O 0.873 -2.518 10.822 1.00 . A A . 65 PRO O 1 1 5 4820 1 1 66 HIS C C 2.047 -0.885 12.911 1.00 . A A . 66 HIS C 1 1 5 4821 1 1 66 HIS CA C 0.984 -0.097 12.151 1.00 . A A . 66 HIS CA 1 1 5 4822 1 1 66 HIS CB C -0.411 -0.534 12.603 1.00 . A A . 66 HIS CB 1 1 5 4823 1 1 66 HIS CD2 C -1.845 1.432 11.704 1.00 . A A . 66 HIS CD2 1 1 5 4824 1 1 66 HIS CE1 C -3.300 0.268 10.554 1.00 . A A . 66 HIS CE1 1 1 5 4825 1 1 66 HIS CG C -1.520 0.125 11.843 1.00 . A A . 66 HIS CG 1 1 5 4826 1 1 66 HIS H H 1.294 0.489 10.140 1.00 . A A . 66 HIS H 1 1 5 4827 1 1 66 HIS HA H 1.111 0.954 12.362 1.00 . A A . 66 HIS HA 1 1 5 4828 1 1 66 HIS HB2 H -0.507 -1.601 12.471 1.00 . A A . 66 HIS HB2 1 1 5 4829 1 1 66 HIS HB3 H -0.535 -0.293 13.649 1.00 . A A . 66 HIS HB3 1 1 5 4830 1 1 66 HIS HD1 H -2.486 -1.552 11.012 1.00 . A A . 66 HIS HD1 1 1 5 4831 1 1 66 HIS HD2 H -1.328 2.271 12.145 1.00 . A A . 66 HIS HD2 1 1 5 4832 1 1 66 HIS HE1 H -4.134 0.004 9.926 1.00 . A A . 66 HIS HE1 1 1 5 4833 1 1 66 HIS HE2 H -3.362 2.314 10.554 1.00 . A A . 66 HIS HE2 1 1 5 4834 1 1 66 HIS N N 1.135 -0.289 10.713 1.00 . A A . 66 HIS N 1 1 5 4835 1 1 66 HIS ND1 N -2.452 -0.578 11.110 1.00 . A A . 66 HIS ND1 1 1 5 4836 1 1 66 HIS NE2 N -2.954 1.493 10.900 1.00 . A A . 66 HIS NE2 1 1 5 4837 1 1 66 HIS O O 1.809 -1.358 14.023 1.00 . A A . 66 HIS O 1 1 5 4838 1 1 67 CYS C C 4.687 -1.164 14.267 1.00 . A A . 67 CYS C 1 1 5 4839 1 1 67 CYS CA C 4.324 -1.758 12.910 1.00 . A A . 67 CYS CA 1 1 5 4840 1 1 67 CYS CB C 5.550 -1.744 11.991 1.00 . A A . 67 CYS CB 1 1 5 4841 1 1 67 CYS H H 3.344 -0.625 11.413 1.00 . A A . 67 CYS H 1 1 5 4842 1 1 67 CYS HA H 4.004 -2.779 13.051 1.00 . A A . 67 CYS HA 1 1 5 4843 1 1 67 CYS HB2 H 6.008 -0.767 12.031 1.00 . A A . 67 CYS HB2 1 1 5 4844 1 1 67 CYS HB3 H 6.258 -2.482 12.340 1.00 . A A . 67 CYS HB3 1 1 5 4845 1 1 67 CYS N N 3.220 -1.024 12.298 1.00 . A A . 67 CYS N 1 1 5 4846 1 1 67 CYS O O 5.539 -1.757 14.962 1.00 . A A . 67 CYS O 1 1 5 4847 1 1 67 CYS OXT O 4.116 -0.112 14.624 1.00 . A A . 67 CYS OXT 1 1 5 4848 1 1 67 CYS SG S 5.183 -2.110 10.242 1.00 . A A . 67 CYS SG 1 1 5 4849 2 2 1 PGM C1 C -12.817 -0.220 14.052 1.00 . B A . 68 PGM C1 1 1 5 4850 2 2 1 PGM C2 C -11.884 0.122 12.975 1.00 . B A . 68 PGM C2 1 1 5 4851 2 2 1 PGM C3 C -10.542 -0.411 13.224 1.00 . B A . 68 PGM C3 1 1 5 4852 2 2 1 PGM C7 C -6.597 -0.228 10.953 1.00 . B A . 68 PGM C7 1 1 5 4853 2 2 1 PGM C8 C -6.517 -1.366 10.034 1.00 . B A . 68 PGM C8 1 1 5 4854 2 2 1 PGM C9 C -6.515 -0.947 8.654 1.00 . B A . 68 PGM C9 1 1 5 4855 2 2 1 PGM CA C -4.811 -0.144 7.294 1.00 . B A . 68 PGM CA 1 1 5 4856 2 2 1 PGM CB C -4.758 -0.402 5.849 1.00 . B A . 68 PGM CB 1 1 5 4857 2 2 1 PGM CC C -3.463 -0.964 5.325 1.00 . B A . 68 PGM CC 1 1 5 4858 2 2 1 PGM CD C -3.027 -0.407 3.999 1.00 . B A . 68 PGM CD 1 1 5 4859 2 2 1 PGM CE C -1.621 0.115 3.986 1.00 . B A . 68 PGM CE 1 1 5 4860 2 2 1 PGM CF C -1.041 0.294 2.616 1.00 . B A . 68 PGM CF 1 1 5 4861 2 2 1 PGM CG C 0.459 0.351 2.576 1.00 . B A . 68 PGM CG 1 1 5 4862 2 2 1 PGM CH C 1.037 1.029 1.379 1.00 . B A . 68 PGM CH 1 1 5 4863 2 2 1 PGM CI C 1.452 2.447 1.592 1.00 . B A . 68 PGM CI 1 1 5 4864 2 2 1 PGM CJ C 1.278 3.334 0.406 1.00 . B A . 68 PGM CJ 1 1 5 4865 2 2 1 PGM CK C 1.744 4.742 0.583 1.00 . B A . 68 PGM CK 1 1 5 4866 2 2 1 PGM CL C 0.962 5.772 -0.174 1.00 . B A . 68 PGM CL 1 1 5 4867 2 2 1 PGM CM C 1.657 6.353 -1.363 1.00 . B A . 68 PGM CM 1 1 5 4868 2 2 1 PGM CN C 0.916 6.233 -2.656 1.00 . B A . 68 PGM CN 1 1 5 4869 2 2 1 PGM CO C 1.619 6.795 -3.849 1.00 . B A . 68 PGM CO 1 1 5 4870 2 2 1 PGM CP C 0.968 6.473 -5.161 1.00 . B A . 68 PGM CP 1 1 5 4871 2 2 1 PGM O1 O -14.127 0.081 13.637 1.00 . B A . 68 PGM O1 1 1 5 4872 2 2 1 PGM O2 O -12.369 -0.400 11.763 1.00 . B A . 68 PGM O2 1 1 5 4873 2 2 1 PGM O4 O -9.626 0.689 13.313 1.00 . B A . 68 PGM O4 1 1 5 4874 2 2 1 PGM O5A O -7.303 1.656 13.285 1.00 . B A . 68 PGM O5A 1 1 5 4875 2 2 1 PGM O5B O -7.681 -0.776 13.890 1.00 . B A . 68 PGM O5B 1 1 5 4876 2 2 1 PGM O6 O -7.946 -0.002 11.539 1.00 . B A . 68 PGM O6 1 1 5 4877 2 2 1 PGM O8 O -5.472 -2.285 10.239 1.00 . B A . 68 PGM O8 1 1 5 4878 2 2 1 PGM OQ1 O -4.574 1.061 7.650 1.00 . B A . 68 PGM OQ1 1 1 5 4879 2 2 1 PGM OQ2 O -5.131 -0.976 8.088 1.00 . B A . 68 PGM OQ2 1 1 5 4880 2 2 1 PGM P5 P -8.064 0.402 13.083 1.00 . B A . 68 PGM P5 1 1 6 4881 1 1 1 ALA C C 11.324 6.849 0.231 1.00 . A A . 1 ALA C 1 1 6 4882 1 1 1 ALA CA C 10.336 7.693 1.029 1.00 . A A . 1 ALA CA 1 1 6 4883 1 1 1 ALA CB C 11.079 8.596 2.002 1.00 . A A . 1 ALA CB 1 1 6 4884 1 1 1 ALA H1 H 8.669 6.488 1.074 1.00 . A A . 1 ALA H1 1 1 6 4885 1 1 1 ALA H2 H 8.920 7.417 2.496 1.00 . A A . 1 ALA H2 1 1 6 4886 1 1 1 ALA H3 H 9.901 6.044 2.180 1.00 . A A . 1 ALA H3 1 1 6 4887 1 1 1 ALA HA H 9.783 8.320 0.346 1.00 . A A . 1 ALA HA 1 1 6 4888 1 1 1 ALA HB1 H 10.382 9.283 2.459 1.00 . A A . 1 ALA HB1 1 1 6 4889 1 1 1 ALA HB2 H 11.837 9.151 1.471 1.00 . A A . 1 ALA HB2 1 1 6 4890 1 1 1 ALA HB3 H 11.545 7.993 2.768 1.00 . A A . 1 ALA HB3 1 1 6 4891 1 1 1 ALA N N 9.370 6.833 1.761 1.00 . A A . 1 ALA N 1 1 6 4892 1 1 1 ALA O O 12.502 7.189 0.125 1.00 . A A . 1 ALA O 1 1 6 4893 1 1 2 CYS C C 11.367 4.991 -2.605 1.00 . A A . 2 CYS C 1 1 6 4894 1 1 2 CYS CA C 11.675 4.853 -1.118 1.00 . A A . 2 CYS CA 1 1 6 4895 1 1 2 CYS CB C 11.473 3.403 -0.673 1.00 . A A . 2 CYS CB 1 1 6 4896 1 1 2 CYS H H 9.887 5.529 -0.208 1.00 . A A . 2 CYS H 1 1 6 4897 1 1 2 CYS HA H 12.705 5.131 -0.949 1.00 . A A . 2 CYS HA 1 1 6 4898 1 1 2 CYS HB2 H 10.529 3.042 -1.056 1.00 . A A . 2 CYS HB2 1 1 6 4899 1 1 2 CYS HB3 H 12.273 2.796 -1.071 1.00 . A A . 2 CYS HB3 1 1 6 4900 1 1 2 CYS N N 10.835 5.747 -0.328 1.00 . A A . 2 CYS N 1 1 6 4901 1 1 2 CYS O O 12.195 5.471 -3.378 1.00 . A A . 2 CYS O 1 1 6 4902 1 1 2 CYS SG S 11.452 3.178 1.134 1.00 . A A . 2 CYS SG 1 1 6 4903 1 1 3 GLN C C 8.233 4.539 -4.509 1.00 . A A . 3 GLN C 1 1 6 4904 1 1 3 GLN CA C 9.750 4.650 -4.392 1.00 . A A . 3 GLN CA 1 1 6 4905 1 1 3 GLN CB C 10.417 3.547 -5.215 1.00 . A A . 3 GLN CB 1 1 6 4906 1 1 3 GLN CD C 12.707 2.967 -6.106 1.00 . A A . 3 GLN CD 1 1 6 4907 1 1 3 GLN CG C 11.623 4.023 -6.008 1.00 . A A . 3 GLN CG 1 1 6 4908 1 1 3 GLN H H 9.551 4.200 -2.334 1.00 . A A . 3 GLN H 1 1 6 4909 1 1 3 GLN HA H 10.059 5.611 -4.776 1.00 . A A . 3 GLN HA 1 1 6 4910 1 1 3 GLN HB2 H 10.738 2.761 -4.548 1.00 . A A . 3 GLN HB2 1 1 6 4911 1 1 3 GLN HB3 H 9.693 3.147 -5.909 1.00 . A A . 3 GLN HB3 1 1 6 4912 1 1 3 GLN HE21 H 14.108 4.338 -5.769 1.00 . A A . 3 GLN HE21 1 1 6 4913 1 1 3 GLN HE22 H 14.678 2.723 -6.000 1.00 . A A . 3 GLN HE22 1 1 6 4914 1 1 3 GLN HG2 H 11.303 4.281 -7.006 1.00 . A A . 3 GLN HG2 1 1 6 4915 1 1 3 GLN HG3 H 12.034 4.897 -5.525 1.00 . A A . 3 GLN HG3 1 1 6 4916 1 1 3 GLN N N 10.169 4.570 -2.997 1.00 . A A . 3 GLN N 1 1 6 4917 1 1 3 GLN NE2 N 13.957 3.385 -5.942 1.00 . A A . 3 GLN NE2 1 1 6 4918 1 1 3 GLN O O 7.662 3.466 -4.315 1.00 . A A . 3 GLN O 1 1 6 4919 1 1 3 GLN OE1 O 12.425 1.789 -6.326 1.00 . A A . 3 GLN OE1 1 1 6 4920 1 1 4 ALA C C 5.718 5.216 -6.360 1.00 . A A . 4 ALA C 1 1 6 4921 1 1 4 ALA CA C 6.144 5.689 -4.974 1.00 . A A . 4 ALA CA 1 1 6 4922 1 1 4 ALA CB C 5.622 7.093 -4.710 1.00 . A A . 4 ALA CB 1 1 6 4923 1 1 4 ALA H H 8.100 6.472 -4.970 1.00 . A A . 4 ALA H 1 1 6 4924 1 1 4 ALA HA H 5.725 5.030 -4.234 1.00 . A A . 4 ALA HA 1 1 6 4925 1 1 4 ALA HB1 H 6.389 7.814 -4.951 1.00 . A A . 4 ALA HB1 1 1 6 4926 1 1 4 ALA HB2 H 5.353 7.187 -3.669 1.00 . A A . 4 ALA HB2 1 1 6 4927 1 1 4 ALA HB3 H 4.752 7.275 -5.324 1.00 . A A . 4 ALA HB3 1 1 6 4928 1 1 4 ALA N N 7.590 5.654 -4.829 1.00 . A A . 4 ALA N 1 1 6 4929 1 1 4 ALA O O 4.607 4.719 -6.544 1.00 . A A . 4 ALA O 1 1 6 4930 1 1 5 SER C C 6.220 3.451 -8.829 1.00 . A A . 5 SER C 1 1 6 4931 1 1 5 SER CA C 6.326 4.970 -8.706 1.00 . A A . 5 SER CA 1 1 6 4932 1 1 5 SER CB C 7.413 5.493 -9.646 1.00 . A A . 5 SER CB 1 1 6 4933 1 1 5 SER H H 7.477 5.781 -7.126 1.00 . A A . 5 SER H 1 1 6 4934 1 1 5 SER HA H 5.381 5.407 -8.990 1.00 . A A . 5 SER HA 1 1 6 4935 1 1 5 SER HB2 H 8.297 4.881 -9.547 1.00 . A A . 5 SER HB2 1 1 6 4936 1 1 5 SER HB3 H 7.057 5.448 -10.665 1.00 . A A . 5 SER HB3 1 1 6 4937 1 1 5 SER HG H 7.122 7.427 -9.755 1.00 . A A . 5 SER HG 1 1 6 4938 1 1 5 SER N N 6.609 5.376 -7.334 1.00 . A A . 5 SER N 1 1 6 4939 1 1 5 SER O O 5.754 2.937 -9.847 1.00 . A A . 5 SER O 1 1 6 4940 1 1 5 SER OG O 7.752 6.834 -9.339 1.00 . A A . 5 SER OG 1 1 6 4941 1 1 6 GLN C C 5.220 0.797 -7.381 1.00 . A A . 6 GLN C 1 1 6 4942 1 1 6 GLN CA C 6.598 1.286 -7.803 1.00 . A A . 6 GLN CA 1 1 6 4943 1 1 6 GLN CB C 7.666 0.707 -6.872 1.00 . A A . 6 GLN CB 1 1 6 4944 1 1 6 GLN CD C 9.695 -0.330 -7.961 1.00 . A A . 6 GLN CD 1 1 6 4945 1 1 6 GLN CG C 9.087 0.925 -7.366 1.00 . A A . 6 GLN CG 1 1 6 4946 1 1 6 GLN H H 7.010 3.181 -7.014 1.00 . A A . 6 GLN H 1 1 6 4947 1 1 6 GLN HA H 6.794 0.964 -8.805 1.00 . A A . 6 GLN HA 1 1 6 4948 1 1 6 GLN HB2 H 7.570 1.170 -5.901 1.00 . A A . 6 GLN HB2 1 1 6 4949 1 1 6 GLN HB3 H 7.501 -0.356 -6.773 1.00 . A A . 6 GLN HB3 1 1 6 4950 1 1 6 GLN HE21 H 8.081 -0.606 -9.090 1.00 . A A . 6 GLN HE21 1 1 6 4951 1 1 6 GLN HE22 H 9.331 -1.787 -9.264 1.00 . A A . 6 GLN HE22 1 1 6 4952 1 1 6 GLN HG2 H 9.078 1.696 -8.121 1.00 . A A . 6 GLN HG2 1 1 6 4953 1 1 6 GLN HG3 H 9.697 1.244 -6.534 1.00 . A A . 6 GLN HG3 1 1 6 4954 1 1 6 GLN N N 6.651 2.732 -7.795 1.00 . A A . 6 GLN N 1 1 6 4955 1 1 6 GLN NE2 N 8.962 -0.972 -8.863 1.00 . A A . 6 GLN NE2 1 1 6 4956 1 1 6 GLN O O 4.753 -0.250 -7.827 1.00 . A A . 6 GLN O 1 1 6 4957 1 1 6 GLN OE1 O 10.811 -0.717 -7.616 1.00 . A A . 6 GLN OE1 1 1 6 4958 1 1 7 LEU C C 2.166 2.036 -6.707 1.00 . A A . 7 LEU C 1 1 6 4959 1 1 7 LEU CA C 3.255 1.223 -6.009 1.00 . A A . 7 LEU CA 1 1 6 4960 1 1 7 LEU CB C 3.192 1.456 -4.497 1.00 . A A . 7 LEU CB 1 1 6 4961 1 1 7 LEU CD1 C 4.467 2.011 -2.409 1.00 . A A . 7 LEU CD1 1 1 6 4962 1 1 7 LEU CD2 C 4.891 -0.153 -3.590 1.00 . A A . 7 LEU CD2 1 1 6 4963 1 1 7 LEU CG C 4.528 1.316 -3.760 1.00 . A A . 7 LEU CG 1 1 6 4964 1 1 7 LEU H H 5.009 2.387 -6.193 1.00 . A A . 7 LEU H 1 1 6 4965 1 1 7 LEU HA H 3.087 0.175 -6.208 1.00 . A A . 7 LEU HA 1 1 6 4966 1 1 7 LEU HB2 H 2.812 2.452 -4.324 1.00 . A A . 7 LEU HB2 1 1 6 4967 1 1 7 LEU HB3 H 2.498 0.746 -4.073 1.00 . A A . 7 LEU HB3 1 1 6 4968 1 1 7 LEU HD11 H 4.013 1.350 -1.685 1.00 . A A . 7 LEU HD11 1 1 6 4969 1 1 7 LEU HD12 H 3.878 2.912 -2.494 1.00 . A A . 7 LEU HD12 1 1 6 4970 1 1 7 LEU HD13 H 5.467 2.263 -2.088 1.00 . A A . 7 LEU HD13 1 1 6 4971 1 1 7 LEU HD21 H 5.958 -0.276 -3.704 1.00 . A A . 7 LEU HD21 1 1 6 4972 1 1 7 LEU HD22 H 4.379 -0.740 -4.339 1.00 . A A . 7 LEU HD22 1 1 6 4973 1 1 7 LEU HD23 H 4.594 -0.486 -2.607 1.00 . A A . 7 LEU HD23 1 1 6 4974 1 1 7 LEU HG H 5.308 1.790 -4.345 1.00 . A A . 7 LEU HG 1 1 6 4975 1 1 7 LEU N N 4.578 1.567 -6.511 1.00 . A A . 7 LEU N 1 1 6 4976 1 1 7 LEU O O 0.982 1.716 -6.603 1.00 . A A . 7 LEU O 1 1 6 4977 1 1 8 ALA C C 0.655 3.119 -8.964 1.00 . A A . 8 ALA C 1 1 6 4978 1 1 8 ALA CA C 1.621 3.943 -8.124 1.00 . A A . 8 ALA CA 1 1 6 4979 1 1 8 ALA CB C 2.362 4.945 -8.996 1.00 . A A . 8 ALA CB 1 1 6 4980 1 1 8 ALA H H 3.522 3.300 -7.462 1.00 . A A . 8 ALA H 1 1 6 4981 1 1 8 ALA HA H 1.062 4.487 -7.389 1.00 . A A . 8 ALA HA 1 1 6 4982 1 1 8 ALA HB1 H 2.388 4.588 -10.014 1.00 . A A . 8 ALA HB1 1 1 6 4983 1 1 8 ALA HB2 H 3.372 5.063 -8.630 1.00 . A A . 8 ALA HB2 1 1 6 4984 1 1 8 ALA HB3 H 1.854 5.897 -8.961 1.00 . A A . 8 ALA HB3 1 1 6 4985 1 1 8 ALA N N 2.569 3.089 -7.416 1.00 . A A . 8 ALA N 1 1 6 4986 1 1 8 ALA O O -0.526 3.447 -9.079 1.00 . A A . 8 ALA O 1 1 6 4987 1 1 9 VAL C C -0.804 0.582 -9.591 1.00 . A A . 9 VAL C 1 1 6 4988 1 1 9 VAL CA C 0.367 1.164 -10.377 1.00 . A A . 9 VAL CA 1 1 6 4989 1 1 9 VAL CB C 1.214 0.013 -10.956 1.00 . A A . 9 VAL CB 1 1 6 4990 1 1 9 VAL CG1 C 1.787 -0.847 -9.839 1.00 . A A . 9 VAL CG1 1 1 6 4991 1 1 9 VAL CG2 C 0.389 -0.829 -11.918 1.00 . A A . 9 VAL CG2 1 1 6 4992 1 1 9 VAL H H 2.112 1.848 -9.413 1.00 . A A . 9 VAL H 1 1 6 4993 1 1 9 VAL HA H -0.016 1.747 -11.193 1.00 . A A . 9 VAL HA 1 1 6 4994 1 1 9 VAL HB H 2.038 0.443 -11.506 1.00 . A A . 9 VAL HB 1 1 6 4995 1 1 9 VAL HG11 H 2.432 -1.603 -10.262 1.00 . A A . 9 VAL HG11 1 1 6 4996 1 1 9 VAL HG12 H 0.980 -1.322 -9.300 1.00 . A A . 9 VAL HG12 1 1 6 4997 1 1 9 VAL HG13 H 2.356 -0.226 -9.163 1.00 . A A . 9 VAL HG13 1 1 6 4998 1 1 9 VAL HG21 H 0.999 -1.111 -12.763 1.00 . A A . 9 VAL HG21 1 1 6 4999 1 1 9 VAL HG22 H -0.460 -0.256 -12.262 1.00 . A A . 9 VAL HG22 1 1 6 5000 1 1 9 VAL HG23 H 0.041 -1.718 -11.411 1.00 . A A . 9 VAL HG23 1 1 6 5001 1 1 9 VAL N N 1.169 2.048 -9.546 1.00 . A A . 9 VAL N 1 1 6 5002 1 1 9 VAL O O -1.827 0.208 -10.164 1.00 . A A . 9 VAL O 1 1 6 5003 1 1 10 CYS C C -2.695 1.061 -7.060 1.00 . A A . 10 CYS C 1 1 6 5004 1 1 10 CYS CA C -1.678 -0.021 -7.399 1.00 . A A . 10 CYS CA 1 1 6 5005 1 1 10 CYS CB C -1.051 -0.561 -6.114 1.00 . A A . 10 CYS CB 1 1 6 5006 1 1 10 CYS H H 0.197 0.828 -7.884 1.00 . A A . 10 CYS H 1 1 6 5007 1 1 10 CYS HA H -2.178 -0.826 -7.917 1.00 . A A . 10 CYS HA 1 1 6 5008 1 1 10 CYS HB2 H -0.080 -0.975 -6.345 1.00 . A A . 10 CYS HB2 1 1 6 5009 1 1 10 CYS HB3 H -0.933 0.254 -5.412 1.00 . A A . 10 CYS HB3 1 1 6 5010 1 1 10 CYS N N -0.642 0.512 -8.276 1.00 . A A . 10 CYS N 1 1 6 5011 1 1 10 CYS O O -3.894 0.798 -6.962 1.00 . A A . 10 CYS O 1 1 6 5012 1 1 10 CYS SG S -2.029 -1.861 -5.293 1.00 . A A . 10 CYS SG 1 1 6 5013 1 1 11 ALA C C -4.266 3.496 -7.462 1.00 . A A . 11 ALA C 1 1 6 5014 1 1 11 ALA CA C -3.048 3.421 -6.549 1.00 . A A . 11 ALA CA 1 1 6 5015 1 1 11 ALA CB C -2.249 4.712 -6.628 1.00 . A A . 11 ALA CB 1 1 6 5016 1 1 11 ALA H H -1.235 2.418 -6.971 1.00 . A A . 11 ALA H 1 1 6 5017 1 1 11 ALA HA H -3.381 3.295 -5.536 1.00 . A A . 11 ALA HA 1 1 6 5018 1 1 11 ALA HB1 H -2.550 5.372 -5.828 1.00 . A A . 11 ALA HB1 1 1 6 5019 1 1 11 ALA HB2 H -2.433 5.192 -7.579 1.00 . A A . 11 ALA HB2 1 1 6 5020 1 1 11 ALA HB3 H -1.196 4.491 -6.535 1.00 . A A . 11 ALA HB3 1 1 6 5021 1 1 11 ALA N N -2.200 2.281 -6.880 1.00 . A A . 11 ALA N 1 1 6 5022 1 1 11 ALA O O -5.314 4.016 -7.079 1.00 . A A . 11 ALA O 1 1 6 5023 1 1 12 SER C C -6.479 2.407 -9.069 1.00 . A A . 12 SER C 1 1 6 5024 1 1 12 SER CA C -5.191 2.980 -9.653 1.00 . A A . 12 SER CA 1 1 6 5025 1 1 12 SER CB C -4.782 2.173 -10.885 1.00 . A A . 12 SER CB 1 1 6 5026 1 1 12 SER H H -3.255 2.583 -8.913 1.00 . A A . 12 SER H 1 1 6 5027 1 1 12 SER HA H -5.364 4.001 -9.947 1.00 . A A . 12 SER HA 1 1 6 5028 1 1 12 SER HB2 H -4.514 1.171 -10.581 1.00 . A A . 12 SER HB2 1 1 6 5029 1 1 12 SER HB3 H -5.612 2.129 -11.575 1.00 . A A . 12 SER HB3 1 1 6 5030 1 1 12 SER HG H -3.025 3.040 -10.885 1.00 . A A . 12 SER HG 1 1 6 5031 1 1 12 SER N N -4.115 2.977 -8.672 1.00 . A A . 12 SER N 1 1 6 5032 1 1 12 SER O O -7.577 2.784 -9.477 1.00 . A A . 12 SER O 1 1 6 5033 1 1 12 SER OG O -3.672 2.764 -11.538 1.00 . A A . 12 SER OG 1 1 6 5034 1 1 13 ALA C C -7.290 0.664 -5.991 1.00 . A A . 13 ALA C 1 1 6 5035 1 1 13 ALA CA C -7.491 0.863 -7.492 1.00 . A A . 13 ALA CA 1 1 6 5036 1 1 13 ALA CB C -7.790 -0.468 -8.164 1.00 . A A . 13 ALA CB 1 1 6 5037 1 1 13 ALA H H -5.446 1.224 -7.838 1.00 . A A . 13 ALA H 1 1 6 5038 1 1 13 ALA HA H -8.332 1.511 -7.647 1.00 . A A . 13 ALA HA 1 1 6 5039 1 1 13 ALA HB1 H -8.859 -0.600 -8.244 1.00 . A A . 13 ALA HB1 1 1 6 5040 1 1 13 ALA HB2 H -7.371 -1.270 -7.575 1.00 . A A . 13 ALA HB2 1 1 6 5041 1 1 13 ALA HB3 H -7.351 -0.479 -9.151 1.00 . A A . 13 ALA HB3 1 1 6 5042 1 1 13 ALA N N -6.339 1.488 -8.118 1.00 . A A . 13 ALA N 1 1 6 5043 1 1 13 ALA O O -7.955 -0.170 -5.377 1.00 . A A . 13 ALA O 1 1 6 5044 1 1 14 ILE C C -7.154 2.073 -3.150 1.00 . A A . 14 ILE C 1 1 6 5045 1 1 14 ILE CA C -6.108 1.318 -3.970 1.00 . A A . 14 ILE CA 1 1 6 5046 1 1 14 ILE CB C -4.691 1.830 -3.615 1.00 . A A . 14 ILE CB 1 1 6 5047 1 1 14 ILE CD1 C -3.167 0.083 -2.561 1.00 . A A . 14 ILE CD1 1 1 6 5048 1 1 14 ILE CG1 C -4.195 1.169 -2.326 1.00 . A A . 14 ILE CG1 1 1 6 5049 1 1 14 ILE CG2 C -4.668 3.349 -3.483 1.00 . A A . 14 ILE CG2 1 1 6 5050 1 1 14 ILE H H -5.874 2.079 -5.934 1.00 . A A . 14 ILE H 1 1 6 5051 1 1 14 ILE HA H -6.160 0.270 -3.709 1.00 . A A . 14 ILE HA 1 1 6 5052 1 1 14 ILE HB H -4.027 1.559 -4.422 1.00 . A A . 14 ILE HB 1 1 6 5053 1 1 14 ILE HD11 H -3.669 -0.862 -2.706 1.00 . A A . 14 ILE HD11 1 1 6 5054 1 1 14 ILE HD12 H -2.512 0.016 -1.705 1.00 . A A . 14 ILE HD12 1 1 6 5055 1 1 14 ILE HD13 H -2.587 0.321 -3.441 1.00 . A A . 14 ILE HD13 1 1 6 5056 1 1 14 ILE HG12 H -3.744 1.919 -1.693 1.00 . A A . 14 ILE HG12 1 1 6 5057 1 1 14 ILE HG13 H -5.035 0.726 -1.809 1.00 . A A . 14 ILE HG13 1 1 6 5058 1 1 14 ILE HG21 H -5.285 3.646 -2.648 1.00 . A A . 14 ILE HG21 1 1 6 5059 1 1 14 ILE HG22 H -5.050 3.795 -4.389 1.00 . A A . 14 ILE HG22 1 1 6 5060 1 1 14 ILE HG23 H -3.654 3.680 -3.318 1.00 . A A . 14 ILE HG23 1 1 6 5061 1 1 14 ILE N N -6.376 1.429 -5.400 1.00 . A A . 14 ILE N 1 1 6 5062 1 1 14 ILE O O -7.658 1.564 -2.149 1.00 . A A . 14 ILE O 1 1 6 5063 1 1 15 LEU C C -9.876 3.703 -3.254 1.00 . A A . 15 LEU C 1 1 6 5064 1 1 15 LEU CA C -8.454 4.116 -2.885 1.00 . A A . 15 LEU CA 1 1 6 5065 1 1 15 LEU CB C -8.238 5.595 -3.215 1.00 . A A . 15 LEU CB 1 1 6 5066 1 1 15 LEU CD1 C -6.108 6.262 -4.364 1.00 . A A . 15 LEU CD1 1 1 6 5067 1 1 15 LEU CD2 C -6.800 7.416 -2.256 1.00 . A A . 15 LEU CD2 1 1 6 5068 1 1 15 LEU CG C -6.805 6.100 -3.021 1.00 . A A . 15 LEU CG 1 1 6 5069 1 1 15 LEU H H -7.035 3.643 -4.383 1.00 . A A . 15 LEU H 1 1 6 5070 1 1 15 LEU HA H -8.316 3.971 -1.824 1.00 . A A . 15 LEU HA 1 1 6 5071 1 1 15 LEU HB2 H -8.520 5.757 -4.245 1.00 . A A . 15 LEU HB2 1 1 6 5072 1 1 15 LEU HB3 H -8.891 6.181 -2.585 1.00 . A A . 15 LEU HB3 1 1 6 5073 1 1 15 LEU HD11 H -6.506 7.127 -4.874 1.00 . A A . 15 LEU HD11 1 1 6 5074 1 1 15 LEU HD12 H -6.276 5.381 -4.965 1.00 . A A . 15 LEU HD12 1 1 6 5075 1 1 15 LEU HD13 H -5.048 6.393 -4.206 1.00 . A A . 15 LEU HD13 1 1 6 5076 1 1 15 LEU HD21 H -6.851 8.239 -2.954 1.00 . A A . 15 LEU HD21 1 1 6 5077 1 1 15 LEU HD22 H -5.891 7.492 -1.677 1.00 . A A . 15 LEU HD22 1 1 6 5078 1 1 15 LEU HD23 H -7.653 7.451 -1.594 1.00 . A A . 15 LEU HD23 1 1 6 5079 1 1 15 LEU HG H -6.250 5.375 -2.444 1.00 . A A . 15 LEU HG 1 1 6 5080 1 1 15 LEU N N -7.472 3.291 -3.580 1.00 . A A . 15 LEU N 1 1 6 5081 1 1 15 LEU O O -10.614 3.175 -2.422 1.00 . A A . 15 LEU O 1 1 6 5082 1 1 16 SER C C -11.681 2.116 -5.312 1.00 . A A . 16 SER C 1 1 6 5083 1 1 16 SER CA C -11.586 3.602 -4.983 1.00 . A A . 16 SER CA 1 1 6 5084 1 1 16 SER CB C -11.938 4.434 -6.218 1.00 . A A . 16 SER CB 1 1 6 5085 1 1 16 SER H H -9.619 4.371 -5.121 1.00 . A A . 16 SER H 1 1 6 5086 1 1 16 SER HA H -12.289 3.830 -4.196 1.00 . A A . 16 SER HA 1 1 6 5087 1 1 16 SER HB2 H -11.307 4.135 -7.042 1.00 . A A . 16 SER HB2 1 1 6 5088 1 1 16 SER HB3 H -12.973 4.268 -6.478 1.00 . A A . 16 SER HB3 1 1 6 5089 1 1 16 SER HG H -10.893 6.087 -6.327 1.00 . A A . 16 SER HG 1 1 6 5090 1 1 16 SER N N -10.252 3.947 -4.505 1.00 . A A . 16 SER N 1 1 6 5091 1 1 16 SER O O -12.435 1.377 -4.678 1.00 . A A . 16 SER O 1 1 6 5092 1 1 16 SER OG O -11.743 5.816 -5.974 1.00 . A A . 16 SER OG 1 1 6 5093 1 1 17 GLY C C -11.480 0.083 -8.096 1.00 . A A . 17 GLY C 1 1 6 5094 1 1 17 GLY CA C -10.924 0.287 -6.700 1.00 . A A . 17 GLY CA 1 1 6 5095 1 1 17 GLY H H -10.330 2.318 -6.774 1.00 . A A . 17 GLY H 1 1 6 5096 1 1 17 GLY HA2 H -9.914 -0.094 -6.667 1.00 . A A . 17 GLY HA2 1 1 6 5097 1 1 17 GLY HA3 H -11.529 -0.268 -5.999 1.00 . A A . 17 GLY HA3 1 1 6 5098 1 1 17 GLY N N -10.911 1.684 -6.306 1.00 . A A . 17 GLY N 1 1 6 5099 1 1 17 GLY O O -12.348 -0.763 -8.308 1.00 . A A . 17 GLY O 1 1 6 5100 1 1 18 ALA C C -11.119 -0.603 -11.021 1.00 . A A . 18 ALA C 1 1 6 5101 1 1 18 ALA CA C -11.435 0.764 -10.433 1.00 . A A . 18 ALA CA 1 1 6 5102 1 1 18 ALA CB C -10.804 1.862 -11.275 1.00 . A A . 18 ALA CB 1 1 6 5103 1 1 18 ALA H H -10.291 1.519 -8.820 1.00 . A A . 18 ALA H 1 1 6 5104 1 1 18 ALA HA H -12.498 0.903 -10.439 1.00 . A A . 18 ALA HA 1 1 6 5105 1 1 18 ALA HB1 H -9.728 1.778 -11.229 1.00 . A A . 18 ALA HB1 1 1 6 5106 1 1 18 ALA HB2 H -11.107 2.826 -10.895 1.00 . A A . 18 ALA HB2 1 1 6 5107 1 1 18 ALA HB3 H -11.130 1.761 -12.300 1.00 . A A . 18 ALA HB3 1 1 6 5108 1 1 18 ALA N N -10.980 0.862 -9.051 1.00 . A A . 18 ALA N 1 1 6 5109 1 1 18 ALA O O -11.939 -1.200 -11.719 1.00 . A A . 18 ALA O 1 1 6 5110 1 1 19 LYS C C -8.073 -2.708 -10.721 1.00 . A A . 19 LYS C 1 1 6 5111 1 1 19 LYS CA C -9.478 -2.386 -11.225 1.00 . A A . 19 LYS CA 1 1 6 5112 1 1 19 LYS CB C -9.500 -2.409 -12.755 1.00 . A A . 19 LYS CB 1 1 6 5113 1 1 19 LYS CD C -9.643 -0.224 -13.996 1.00 . A A . 19 LYS CD 1 1 6 5114 1 1 19 LYS CE C -10.555 -0.826 -15.053 1.00 . A A . 19 LYS CE 1 1 6 5115 1 1 19 LYS CG C -8.719 -1.271 -13.393 1.00 . A A . 19 LYS CG 1 1 6 5116 1 1 19 LYS H H -9.326 -0.556 -10.171 1.00 . A A . 19 LYS H 1 1 6 5117 1 1 19 LYS HA H -10.163 -3.134 -10.854 1.00 . A A . 19 LYS HA 1 1 6 5118 1 1 19 LYS HB2 H -9.075 -3.343 -13.094 1.00 . A A . 19 LYS HB2 1 1 6 5119 1 1 19 LYS HB3 H -10.525 -2.348 -13.089 1.00 . A A . 19 LYS HB3 1 1 6 5120 1 1 19 LYS HD2 H -10.250 0.201 -13.212 1.00 . A A . 19 LYS HD2 1 1 6 5121 1 1 19 LYS HD3 H -9.043 0.552 -14.450 1.00 . A A . 19 LYS HD3 1 1 6 5122 1 1 19 LYS HE2 H -9.995 -1.554 -15.621 1.00 . A A . 19 LYS HE2 1 1 6 5123 1 1 19 LYS HE3 H -11.382 -1.314 -14.560 1.00 . A A . 19 LYS HE3 1 1 6 5124 1 1 19 LYS HG2 H -8.105 -0.801 -12.639 1.00 . A A . 19 LYS HG2 1 1 6 5125 1 1 19 LYS HG3 H -8.088 -1.673 -14.173 1.00 . A A . 19 LYS HG3 1 1 6 5126 1 1 19 LYS HZ1 H -12.032 0.513 -15.676 1.00 . A A . 19 LYS HZ1 1 1 6 5127 1 1 19 LYS HZ2 H -11.155 -0.178 -16.946 1.00 . A A . 19 LYS HZ2 1 1 6 5128 1 1 19 LYS HZ3 H -10.454 1.035 -15.998 1.00 . A A . 19 LYS HZ3 1 1 6 5129 1 1 19 LYS N N -9.924 -1.087 -10.732 1.00 . A A . 19 LYS N 1 1 6 5130 1 1 19 LYS NZ N -11.086 0.208 -15.983 1.00 . A A . 19 LYS NZ 1 1 6 5131 1 1 19 LYS O O -7.081 -2.295 -11.323 1.00 . A A . 19 LYS O 1 1 6 5132 1 1 20 PRO C C -5.890 -4.778 -9.931 1.00 . A A . 20 PRO C 1 1 6 5133 1 1 20 PRO CA C -6.668 -3.824 -9.031 1.00 . A A . 20 PRO CA 1 1 6 5134 1 1 20 PRO CB C -7.041 -4.513 -7.715 1.00 . A A . 20 PRO CB 1 1 6 5135 1 1 20 PRO CD C -9.092 -3.990 -8.822 1.00 . A A . 20 PRO CD 1 1 6 5136 1 1 20 PRO CG C -8.436 -4.994 -7.917 1.00 . A A . 20 PRO CG 1 1 6 5137 1 1 20 PRO HA H -6.063 -2.952 -8.826 1.00 . A A . 20 PRO HA 1 1 6 5138 1 1 20 PRO HB2 H -6.362 -5.333 -7.531 1.00 . A A . 20 PRO HB2 1 1 6 5139 1 1 20 PRO HB3 H -6.983 -3.802 -6.905 1.00 . A A . 20 PRO HB3 1 1 6 5140 1 1 20 PRO HD2 H -9.813 -4.475 -9.463 1.00 . A A . 20 PRO HD2 1 1 6 5141 1 1 20 PRO HD3 H -9.564 -3.211 -8.242 1.00 . A A . 20 PRO HD3 1 1 6 5142 1 1 20 PRO HG2 H -8.424 -5.968 -8.384 1.00 . A A . 20 PRO HG2 1 1 6 5143 1 1 20 PRO HG3 H -8.950 -5.037 -6.969 1.00 . A A . 20 PRO HG3 1 1 6 5144 1 1 20 PRO N N -7.965 -3.452 -9.606 1.00 . A A . 20 PRO N 1 1 6 5145 1 1 20 PRO O O -6.239 -4.971 -11.096 1.00 . A A . 20 PRO O 1 1 6 5146 1 1 21 SER C C -2.985 -6.977 -9.226 1.00 . A A . 21 SER C 1 1 6 5147 1 1 21 SER CA C -4.008 -6.305 -10.136 1.00 . A A . 21 SER CA 1 1 6 5148 1 1 21 SER CB C -3.296 -5.582 -11.280 1.00 . A A . 21 SER CB 1 1 6 5149 1 1 21 SER H H -4.608 -5.177 -8.452 1.00 . A A . 21 SER H 1 1 6 5150 1 1 21 SER HA H -4.657 -7.062 -10.547 1.00 . A A . 21 SER HA 1 1 6 5151 1 1 21 SER HB2 H -3.918 -4.774 -11.635 1.00 . A A . 21 SER HB2 1 1 6 5152 1 1 21 SER HB3 H -2.358 -5.183 -10.923 1.00 . A A . 21 SER HB3 1 1 6 5153 1 1 21 SER HG H -3.851 -6.632 -12.838 1.00 . A A . 21 SER HG 1 1 6 5154 1 1 21 SER N N -4.835 -5.371 -9.384 1.00 . A A . 21 SER N 1 1 6 5155 1 1 21 SER O O -2.463 -6.358 -8.298 1.00 . A A . 21 SER O 1 1 6 5156 1 1 21 SER OG O -3.036 -6.464 -12.358 1.00 . A A . 21 SER OG 1 1 6 5157 1 1 22 GLY C C -0.377 -8.330 -8.676 1.00 . A A . 22 GLY C 1 1 6 5158 1 1 22 GLY CA C -1.745 -8.983 -8.695 1.00 . A A . 22 GLY CA 1 1 6 5159 1 1 22 GLY H H -3.152 -8.687 -10.249 1.00 . A A . 22 GLY H 1 1 6 5160 1 1 22 GLY HA2 H -2.115 -9.047 -7.682 1.00 . A A . 22 GLY HA2 1 1 6 5161 1 1 22 GLY HA3 H -1.649 -9.981 -9.095 1.00 . A A . 22 GLY HA3 1 1 6 5162 1 1 22 GLY N N -2.704 -8.246 -9.498 1.00 . A A . 22 GLY N 1 1 6 5163 1 1 22 GLY O O 0.368 -8.463 -7.705 1.00 . A A . 22 GLY O 1 1 6 5164 1 1 23 GLU C C 1.550 -6.140 -8.612 1.00 . A A . 23 GLU C 1 1 6 5165 1 1 23 GLU CA C 1.239 -6.951 -9.868 1.00 . A A . 23 GLU CA 1 1 6 5166 1 1 23 GLU CB C 1.221 -6.036 -11.089 1.00 . A A . 23 GLU CB 1 1 6 5167 1 1 23 GLU CD C 2.822 -4.330 -12.031 1.00 . A A . 23 GLU CD 1 1 6 5168 1 1 23 GLU CG C 2.595 -5.783 -11.663 1.00 . A A . 23 GLU CG 1 1 6 5169 1 1 23 GLU H H -0.672 -7.556 -10.496 1.00 . A A . 23 GLU H 1 1 6 5170 1 1 23 GLU HA H 2.002 -7.702 -10.001 1.00 . A A . 23 GLU HA 1 1 6 5171 1 1 23 GLU HB2 H 0.609 -6.490 -11.857 1.00 . A A . 23 GLU HB2 1 1 6 5172 1 1 23 GLU HB3 H 0.789 -5.084 -10.807 1.00 . A A . 23 GLU HB3 1 1 6 5173 1 1 23 GLU HG2 H 3.331 -6.076 -10.932 1.00 . A A . 23 GLU HG2 1 1 6 5174 1 1 23 GLU HG3 H 2.708 -6.388 -12.549 1.00 . A A . 23 GLU HG3 1 1 6 5175 1 1 23 GLU N N -0.043 -7.624 -9.753 1.00 . A A . 23 GLU N 1 1 6 5176 1 1 23 GLU O O 2.711 -5.985 -8.232 1.00 . A A . 23 GLU O 1 1 6 5177 1 1 23 GLU OE1 O 1.977 -3.761 -12.753 1.00 . A A . 23 GLU OE1 1 1 6 5178 1 1 23 GLU OE2 O 3.846 -3.761 -11.597 1.00 . A A . 23 GLU OE2 1 1 6 5179 1 1 24 CYS C C 1.466 -5.571 -5.709 1.00 . A A . 24 CYS C 1 1 6 5180 1 1 24 CYS CA C 0.658 -4.826 -6.766 1.00 . A A . 24 CYS CA 1 1 6 5181 1 1 24 CYS CB C -0.714 -4.443 -6.204 1.00 . A A . 24 CYS CB 1 1 6 5182 1 1 24 CYS H H -0.393 -5.779 -8.330 1.00 . A A . 24 CYS H 1 1 6 5183 1 1 24 CYS HA H 1.187 -3.932 -7.036 1.00 . A A . 24 CYS HA 1 1 6 5184 1 1 24 CYS HB2 H -1.301 -3.987 -6.988 1.00 . A A . 24 CYS HB2 1 1 6 5185 1 1 24 CYS HB3 H -1.215 -5.336 -5.860 1.00 . A A . 24 CYS HB3 1 1 6 5186 1 1 24 CYS N N 0.504 -5.624 -7.976 1.00 . A A . 24 CYS N 1 1 6 5187 1 1 24 CYS O O 2.091 -4.957 -4.844 1.00 . A A . 24 CYS O 1 1 6 5188 1 1 24 CYS SG S -0.648 -3.270 -4.811 1.00 . A A . 24 CYS SG 1 1 6 5189 1 1 25 CYS C C 3.678 -7.707 -5.152 1.00 . A A . 25 CYS C 1 1 6 5190 1 1 25 CYS CA C 2.186 -7.725 -4.839 1.00 . A A . 25 CYS CA 1 1 6 5191 1 1 25 CYS CB C 1.664 -9.163 -4.871 1.00 . A A . 25 CYS CB 1 1 6 5192 1 1 25 CYS H H 0.937 -7.325 -6.500 1.00 . A A . 25 CYS H 1 1 6 5193 1 1 25 CYS HA H 2.032 -7.316 -3.851 1.00 . A A . 25 CYS HA 1 1 6 5194 1 1 25 CYS HB2 H 1.191 -9.345 -5.824 1.00 . A A . 25 CYS HB2 1 1 6 5195 1 1 25 CYS HB3 H 2.495 -9.843 -4.753 1.00 . A A . 25 CYS HB3 1 1 6 5196 1 1 25 CYS N N 1.451 -6.896 -5.787 1.00 . A A . 25 CYS N 1 1 6 5197 1 1 25 CYS O O 4.505 -7.464 -4.273 1.00 . A A . 25 CYS O 1 1 6 5198 1 1 25 CYS SG S 0.448 -9.542 -3.569 1.00 . A A . 25 CYS SG 1 1 6 5199 1 1 26 GLY C C 6.068 -6.624 -6.652 1.00 . A A . 26 GLY C 1 1 6 5200 1 1 26 GLY CA C 5.403 -7.975 -6.822 1.00 . A A . 26 GLY CA 1 1 6 5201 1 1 26 GLY H H 3.309 -8.151 -7.067 1.00 . A A . 26 GLY H 1 1 6 5202 1 1 26 GLY HA2 H 5.936 -8.704 -6.231 1.00 . A A . 26 GLY HA2 1 1 6 5203 1 1 26 GLY HA3 H 5.457 -8.262 -7.862 1.00 . A A . 26 GLY HA3 1 1 6 5204 1 1 26 GLY N N 4.013 -7.965 -6.411 1.00 . A A . 26 GLY N 1 1 6 5205 1 1 26 GLY O O 7.263 -6.547 -6.366 1.00 . A A . 26 GLY O 1 1 6 5206 1 1 27 ASN C C 6.226 -3.926 -5.265 1.00 . A A . 27 ASN C 1 1 6 5207 1 1 27 ASN CA C 5.821 -4.210 -6.698 1.00 . A A . 27 ASN CA 1 1 6 5208 1 1 27 ASN CB C 4.787 -3.187 -7.163 1.00 . A A . 27 ASN CB 1 1 6 5209 1 1 27 ASN CG C 4.486 -3.301 -8.644 1.00 . A A . 27 ASN CG 1 1 6 5210 1 1 27 ASN H H 4.358 -5.674 -7.059 1.00 . A A . 27 ASN H 1 1 6 5211 1 1 27 ASN HA H 6.685 -4.140 -7.316 1.00 . A A . 27 ASN HA 1 1 6 5212 1 1 27 ASN HB2 H 3.868 -3.338 -6.616 1.00 . A A . 27 ASN HB2 1 1 6 5213 1 1 27 ASN HB3 H 5.160 -2.194 -6.964 1.00 . A A . 27 ASN HB3 1 1 6 5214 1 1 27 ASN HD21 H 6.291 -2.593 -9.089 1.00 . A A . 27 ASN HD21 1 1 6 5215 1 1 27 ASN HD22 H 5.285 -2.989 -10.436 1.00 . A A . 27 ASN HD22 1 1 6 5216 1 1 27 ASN N N 5.297 -5.556 -6.831 1.00 . A A . 27 ASN N 1 1 6 5217 1 1 27 ASN ND2 N 5.451 -2.922 -9.473 1.00 . A A . 27 ASN ND2 1 1 6 5218 1 1 27 ASN O O 7.401 -3.717 -4.965 1.00 . A A . 27 ASN O 1 1 6 5219 1 1 27 ASN OD1 O 3.400 -3.725 -9.038 1.00 . A A . 27 ASN OD1 1 1 6 5220 1 1 28 LEU C C 6.599 -4.562 -2.451 1.00 . A A . 28 LEU C 1 1 6 5221 1 1 28 LEU CA C 5.480 -3.668 -2.973 1.00 . A A . 28 LEU CA 1 1 6 5222 1 1 28 LEU CB C 4.200 -3.880 -2.159 1.00 . A A . 28 LEU CB 1 1 6 5223 1 1 28 LEU CD1 C 4.570 -5.637 -0.411 1.00 . A A . 28 LEU CD1 1 1 6 5224 1 1 28 LEU CD2 C 2.429 -5.594 -1.708 1.00 . A A . 28 LEU CD2 1 1 6 5225 1 1 28 LEU CG C 3.925 -5.326 -1.754 1.00 . A A . 28 LEU CG 1 1 6 5226 1 1 28 LEU H H 4.334 -4.099 -4.698 1.00 . A A . 28 LEU H 1 1 6 5227 1 1 28 LEU HA H 5.787 -2.647 -2.880 1.00 . A A . 28 LEU HA 1 1 6 5228 1 1 28 LEU HB2 H 4.267 -3.282 -1.261 1.00 . A A . 28 LEU HB2 1 1 6 5229 1 1 28 LEU HB3 H 3.364 -3.528 -2.744 1.00 . A A . 28 LEU HB3 1 1 6 5230 1 1 28 LEU HD11 H 4.007 -6.412 0.087 1.00 . A A . 28 LEU HD11 1 1 6 5231 1 1 28 LEU HD12 H 4.575 -4.747 0.200 1.00 . A A . 28 LEU HD12 1 1 6 5232 1 1 28 LEU HD13 H 5.585 -5.973 -0.568 1.00 . A A . 28 LEU HD13 1 1 6 5233 1 1 28 LEU HD21 H 2.043 -5.658 -2.715 1.00 . A A . 28 LEU HD21 1 1 6 5234 1 1 28 LEU HD22 H 1.935 -4.789 -1.184 1.00 . A A . 28 LEU HD22 1 1 6 5235 1 1 28 LEU HD23 H 2.245 -6.525 -1.192 1.00 . A A . 28 LEU HD23 1 1 6 5236 1 1 28 LEU HG H 4.362 -5.979 -2.491 1.00 . A A . 28 LEU HG 1 1 6 5237 1 1 28 LEU N N 5.241 -3.923 -4.386 1.00 . A A . 28 LEU N 1 1 6 5238 1 1 28 LEU O O 7.317 -4.202 -1.517 1.00 . A A . 28 LEU O 1 1 6 5239 1 1 29 ARG C C 9.138 -6.040 -2.727 1.00 . A A . 29 ARG C 1 1 6 5240 1 1 29 ARG CA C 7.765 -6.682 -2.685 1.00 . A A . 29 ARG CA 1 1 6 5241 1 1 29 ARG CB C 7.725 -7.906 -3.602 1.00 . A A . 29 ARG CB 1 1 6 5242 1 1 29 ARG CD C 6.309 -9.975 -3.375 1.00 . A A . 29 ARG CD 1 1 6 5243 1 1 29 ARG CG C 7.513 -9.208 -2.853 1.00 . A A . 29 ARG CG 1 1 6 5244 1 1 29 ARG CZ C 4.609 -11.467 -2.398 1.00 . A A . 29 ARG CZ 1 1 6 5245 1 1 29 ARG H H 6.139 -5.953 -3.802 1.00 . A A . 29 ARG H 1 1 6 5246 1 1 29 ARG HA H 7.561 -6.986 -1.681 1.00 . A A . 29 ARG HA 1 1 6 5247 1 1 29 ARG HB2 H 6.918 -7.784 -4.310 1.00 . A A . 29 ARG HB2 1 1 6 5248 1 1 29 ARG HB3 H 8.658 -7.973 -4.141 1.00 . A A . 29 ARG HB3 1 1 6 5249 1 1 29 ARG HD2 H 5.730 -9.324 -4.014 1.00 . A A . 29 ARG HD2 1 1 6 5250 1 1 29 ARG HD3 H 6.658 -10.823 -3.945 1.00 . A A . 29 ARG HD3 1 1 6 5251 1 1 29 ARG HE H 5.534 -9.988 -1.424 1.00 . A A . 29 ARG HE 1 1 6 5252 1 1 29 ARG HG2 H 8.393 -9.823 -2.962 1.00 . A A . 29 ARG HG2 1 1 6 5253 1 1 29 ARG HG3 H 7.357 -8.983 -1.810 1.00 . A A . 29 ARG HG3 1 1 6 5254 1 1 29 ARG HH11 H 5.012 -11.825 -4.348 1.00 . A A . 29 ARG HH11 1 1 6 5255 1 1 29 ARG HH12 H 3.833 -12.870 -3.629 1.00 . A A . 29 ARG HH12 1 1 6 5256 1 1 29 ARG HH21 H 3.985 -11.368 -0.479 1.00 . A A . 29 ARG HH21 1 1 6 5257 1 1 29 ARG HH22 H 3.248 -12.609 -1.435 1.00 . A A . 29 ARG HH22 1 1 6 5258 1 1 29 ARG N N 6.740 -5.729 -3.069 1.00 . A A . 29 ARG N 1 1 6 5259 1 1 29 ARG NE N 5.461 -10.449 -2.287 1.00 . A A . 29 ARG NE 1 1 6 5260 1 1 29 ARG NH1 N 4.474 -12.106 -3.554 1.00 . A A . 29 ARG NH1 1 1 6 5261 1 1 29 ARG NH2 N 3.889 -11.846 -1.352 1.00 . A A . 29 ARG NH2 1 1 6 5262 1 1 29 ARG O O 9.956 -6.229 -1.826 1.00 . A A . 29 ARG O 1 1 6 5263 1 1 30 ALA C C 10.941 -3.729 -2.694 1.00 . A A . 30 ALA C 1 1 6 5264 1 1 30 ALA CA C 10.642 -4.573 -3.927 1.00 . A A . 30 ALA CA 1 1 6 5265 1 1 30 ALA CB C 10.625 -3.706 -5.177 1.00 . A A . 30 ALA CB 1 1 6 5266 1 1 30 ALA H H 8.679 -5.149 -4.444 1.00 . A A . 30 ALA H 1 1 6 5267 1 1 30 ALA HA H 11.410 -5.317 -4.040 1.00 . A A . 30 ALA HA 1 1 6 5268 1 1 30 ALA HB1 H 11.636 -3.558 -5.527 1.00 . A A . 30 ALA HB1 1 1 6 5269 1 1 30 ALA HB2 H 10.181 -2.749 -4.946 1.00 . A A . 30 ALA HB2 1 1 6 5270 1 1 30 ALA HB3 H 10.047 -4.195 -5.947 1.00 . A A . 30 ALA HB3 1 1 6 5271 1 1 30 ALA N N 9.376 -5.265 -3.771 1.00 . A A . 30 ALA N 1 1 6 5272 1 1 30 ALA O O 12.096 -3.425 -2.397 1.00 . A A . 30 ALA O 1 1 6 5273 1 1 31 GLN C C 10.397 -3.443 0.417 1.00 . A A . 31 GLN C 1 1 6 5274 1 1 31 GLN CA C 10.012 -2.564 -0.765 1.00 . A A . 31 GLN CA 1 1 6 5275 1 1 31 GLN CB C 8.709 -1.813 -0.467 1.00 . A A . 31 GLN CB 1 1 6 5276 1 1 31 GLN CD C 7.600 0.077 -1.724 1.00 . A A . 31 GLN CD 1 1 6 5277 1 1 31 GLN CG C 7.935 -1.400 -1.709 1.00 . A A . 31 GLN CG 1 1 6 5278 1 1 31 GLN H H 8.989 -3.652 -2.263 1.00 . A A . 31 GLN H 1 1 6 5279 1 1 31 GLN HA H 10.800 -1.846 -0.925 1.00 . A A . 31 GLN HA 1 1 6 5280 1 1 31 GLN HB2 H 8.069 -2.444 0.130 1.00 . A A . 31 GLN HB2 1 1 6 5281 1 1 31 GLN HB3 H 8.943 -0.920 0.094 1.00 . A A . 31 GLN HB3 1 1 6 5282 1 1 31 GLN HE21 H 9.294 0.471 -2.692 1.00 . A A . 31 GLN HE21 1 1 6 5283 1 1 31 GLN HE22 H 8.291 1.840 -2.330 1.00 . A A . 31 GLN HE22 1 1 6 5284 1 1 31 GLN HG2 H 8.529 -1.626 -2.582 1.00 . A A . 31 GLN HG2 1 1 6 5285 1 1 31 GLN HG3 H 7.016 -1.962 -1.744 1.00 . A A . 31 GLN HG3 1 1 6 5286 1 1 31 GLN N N 9.882 -3.364 -1.976 1.00 . A A . 31 GLN N 1 1 6 5287 1 1 31 GLN NE2 N 8.484 0.877 -2.307 1.00 . A A . 31 GLN NE2 1 1 6 5288 1 1 31 GLN O O 11.527 -3.389 0.903 1.00 . A A . 31 GLN O 1 1 6 5289 1 1 31 GLN OE1 O 6.559 0.495 -1.216 1.00 . A A . 31 GLN OE1 1 1 6 5290 1 1 32 GLN C C 10.320 -4.431 3.181 1.00 . A A . 32 GLN C 1 1 6 5291 1 1 32 GLN CA C 9.676 -5.153 2.001 1.00 . A A . 32 GLN CA 1 1 6 5292 1 1 32 GLN CB C 10.541 -6.315 1.553 1.00 . A A . 32 GLN CB 1 1 6 5293 1 1 32 GLN CD C 9.696 -8.653 1.118 1.00 . A A . 32 GLN CD 1 1 6 5294 1 1 32 GLN CG C 10.117 -7.637 2.160 1.00 . A A . 32 GLN CG 1 1 6 5295 1 1 32 GLN H H 8.572 -4.257 0.445 1.00 . A A . 32 GLN H 1 1 6 5296 1 1 32 GLN HA H 8.721 -5.539 2.316 1.00 . A A . 32 GLN HA 1 1 6 5297 1 1 32 GLN HB2 H 10.475 -6.393 0.478 1.00 . A A . 32 GLN HB2 1 1 6 5298 1 1 32 GLN HB3 H 11.562 -6.117 1.834 1.00 . A A . 32 GLN HB3 1 1 6 5299 1 1 32 GLN HE21 H 7.966 -7.707 0.868 1.00 . A A . 32 GLN HE21 1 1 6 5300 1 1 32 GLN HE22 H 8.198 -9.115 -0.103 1.00 . A A . 32 GLN HE22 1 1 6 5301 1 1 32 GLN HG2 H 10.942 -8.042 2.726 1.00 . A A . 32 GLN HG2 1 1 6 5302 1 1 32 GLN HG3 H 9.282 -7.455 2.820 1.00 . A A . 32 GLN HG3 1 1 6 5303 1 1 32 GLN N N 9.447 -4.256 0.877 1.00 . A A . 32 GLN N 1 1 6 5304 1 1 32 GLN NE2 N 8.500 -8.473 0.572 1.00 . A A . 32 GLN NE2 1 1 6 5305 1 1 32 GLN O O 10.906 -5.059 4.063 1.00 . A A . 32 GLN O 1 1 6 5306 1 1 32 GLN OE1 O 10.437 -9.586 0.807 1.00 . A A . 32 GLN OE1 1 1 6 5307 1 1 33 GLY C C 10.439 -0.845 4.120 1.00 . A A . 33 GLY C 1 1 6 5308 1 1 33 GLY CA C 10.764 -2.318 4.265 1.00 . A A . 33 GLY CA 1 1 6 5309 1 1 33 GLY H H 9.719 -2.671 2.461 1.00 . A A . 33 GLY H 1 1 6 5310 1 1 33 GLY HA2 H 10.370 -2.672 5.206 1.00 . A A . 33 GLY HA2 1 1 6 5311 1 1 33 GLY HA3 H 11.836 -2.441 4.264 1.00 . A A . 33 GLY HA3 1 1 6 5312 1 1 33 GLY N N 10.199 -3.111 3.191 1.00 . A A . 33 GLY N 1 1 6 5313 1 1 33 GLY O O 11.188 0.011 4.591 1.00 . A A . 33 GLY O 1 1 6 5314 1 1 34 CYS C C 7.427 1.010 3.508 1.00 . A A . 34 CYS C 1 1 6 5315 1 1 34 CYS CA C 8.912 0.819 3.238 1.00 . A A . 34 CYS CA 1 1 6 5316 1 1 34 CYS CB C 9.233 1.229 1.814 1.00 . A A . 34 CYS CB 1 1 6 5317 1 1 34 CYS H H 8.782 -1.257 3.097 1.00 . A A . 34 CYS H 1 1 6 5318 1 1 34 CYS HA H 9.460 1.420 3.900 1.00 . A A . 34 CYS HA 1 1 6 5319 1 1 34 CYS HB2 H 10.128 0.719 1.497 1.00 . A A . 34 CYS HB2 1 1 6 5320 1 1 34 CYS HB3 H 8.417 0.931 1.192 1.00 . A A . 34 CYS HB3 1 1 6 5321 1 1 34 CYS N N 9.325 -0.547 3.455 1.00 . A A . 34 CYS N 1 1 6 5322 1 1 34 CYS O O 7.009 2.038 4.041 1.00 . A A . 34 CYS O 1 1 6 5323 1 1 34 CYS SG S 9.477 3.019 1.572 1.00 . A A . 34 CYS SG 1 1 6 5324 1 1 35 PHE C C 4.833 0.327 4.776 1.00 . A A . 35 PHE C 1 1 6 5325 1 1 35 PHE CA C 5.190 0.087 3.319 1.00 . A A . 35 PHE CA 1 1 6 5326 1 1 35 PHE CB C 4.498 -1.193 2.835 1.00 . A A . 35 PHE CB 1 1 6 5327 1 1 35 PHE CD1 C 5.116 -3.106 4.340 1.00 . A A . 35 PHE CD1 1 1 6 5328 1 1 35 PHE CD2 C 6.014 -3.083 2.130 1.00 . A A . 35 PHE CD2 1 1 6 5329 1 1 35 PHE CE1 C 5.759 -4.301 4.593 1.00 . A A . 35 PHE CE1 1 1 6 5330 1 1 35 PHE CE2 C 6.660 -4.276 2.382 1.00 . A A . 35 PHE CE2 1 1 6 5331 1 1 35 PHE CG C 5.234 -2.480 3.109 1.00 . A A . 35 PHE CG 1 1 6 5332 1 1 35 PHE CZ C 6.533 -4.887 3.613 1.00 . A A . 35 PHE CZ 1 1 6 5333 1 1 35 PHE H H 7.029 -0.766 2.703 1.00 . A A . 35 PHE H 1 1 6 5334 1 1 35 PHE HA H 4.826 0.915 2.742 1.00 . A A . 35 PHE HA 1 1 6 5335 1 1 35 PHE HB2 H 3.549 -1.266 3.336 1.00 . A A . 35 PHE HB2 1 1 6 5336 1 1 35 PHE HB3 H 4.333 -1.122 1.772 1.00 . A A . 35 PHE HB3 1 1 6 5337 1 1 35 PHE HD1 H 4.513 -2.649 5.110 1.00 . A A . 35 PHE HD1 1 1 6 5338 1 1 35 PHE HD2 H 6.121 -2.613 1.164 1.00 . A A . 35 PHE HD2 1 1 6 5339 1 1 35 PHE HE1 H 5.657 -4.777 5.557 1.00 . A A . 35 PHE HE1 1 1 6 5340 1 1 35 PHE HE2 H 7.259 -4.734 1.613 1.00 . A A . 35 PHE HE2 1 1 6 5341 1 1 35 PHE HZ H 7.037 -5.821 3.808 1.00 . A A . 35 PHE HZ 1 1 6 5342 1 1 35 PHE N N 6.634 0.020 3.128 1.00 . A A . 35 PHE N 1 1 6 5343 1 1 35 PHE O O 4.085 1.245 5.112 1.00 . A A . 35 PHE O 1 1 6 5344 1 1 36 CYS C C 5.494 0.926 7.615 1.00 . A A . 36 CYS C 1 1 6 5345 1 1 36 CYS CA C 5.133 -0.446 7.061 1.00 . A A . 36 CYS CA 1 1 6 5346 1 1 36 CYS CB C 5.938 -1.526 7.784 1.00 . A A . 36 CYS CB 1 1 6 5347 1 1 36 CYS H H 5.948 -1.218 5.269 1.00 . A A . 36 CYS H 1 1 6 5348 1 1 36 CYS HA H 4.082 -0.623 7.228 1.00 . A A . 36 CYS HA 1 1 6 5349 1 1 36 CYS HB2 H 6.082 -2.364 7.119 1.00 . A A . 36 CYS HB2 1 1 6 5350 1 1 36 CYS HB3 H 6.902 -1.122 8.058 1.00 . A A . 36 CYS HB3 1 1 6 5351 1 1 36 CYS N N 5.373 -0.518 5.624 1.00 . A A . 36 CYS N 1 1 6 5352 1 1 36 CYS O O 4.712 1.539 8.341 1.00 . A A . 36 CYS O 1 1 6 5353 1 1 36 CYS SG S 5.150 -2.155 9.301 1.00 . A A . 36 CYS SG 1 1 6 5354 1 1 37 GLN C C 6.341 3.829 7.140 1.00 . A A . 37 GLN C 1 1 6 5355 1 1 37 GLN CA C 7.155 2.692 7.749 1.00 . A A . 37 GLN CA 1 1 6 5356 1 1 37 GLN CB C 8.643 2.876 7.440 1.00 . A A . 37 GLN CB 1 1 6 5357 1 1 37 GLN CD C 10.384 3.517 5.725 1.00 . A A . 37 GLN CD 1 1 6 5358 1 1 37 GLN CG C 8.945 3.099 5.967 1.00 . A A . 37 GLN CG 1 1 6 5359 1 1 37 GLN H H 7.267 0.864 6.705 1.00 . A A . 37 GLN H 1 1 6 5360 1 1 37 GLN HA H 7.018 2.705 8.811 1.00 . A A . 37 GLN HA 1 1 6 5361 1 1 37 GLN HB2 H 9.010 3.729 7.992 1.00 . A A . 37 GLN HB2 1 1 6 5362 1 1 37 GLN HB3 H 9.176 1.994 7.764 1.00 . A A . 37 GLN HB3 1 1 6 5363 1 1 37 GLN HE21 H 10.329 2.752 3.891 1.00 . A A . 37 GLN HE21 1 1 6 5364 1 1 37 GLN HE22 H 11.825 3.477 4.356 1.00 . A A . 37 GLN HE22 1 1 6 5365 1 1 37 GLN HG2 H 8.758 2.181 5.434 1.00 . A A . 37 GLN HG2 1 1 6 5366 1 1 37 GLN HG3 H 8.292 3.873 5.591 1.00 . A A . 37 GLN HG3 1 1 6 5367 1 1 37 GLN N N 6.688 1.399 7.277 1.00 . A A . 37 GLN N 1 1 6 5368 1 1 37 GLN NE2 N 10.898 3.218 4.537 1.00 . A A . 37 GLN NE2 1 1 6 5369 1 1 37 GLN O O 6.224 4.906 7.725 1.00 . A A . 37 GLN O 1 1 6 5370 1 1 37 GLN OE1 O 11.026 4.102 6.597 1.00 . A A . 37 GLN OE1 1 1 6 5371 1 1 38 TYR C C 3.768 4.983 6.129 1.00 . A A . 38 TYR C 1 1 6 5372 1 1 38 TYR CA C 4.968 4.579 5.277 1.00 . A A . 38 TYR CA 1 1 6 5373 1 1 38 TYR CB C 4.492 4.036 3.927 1.00 . A A . 38 TYR CB 1 1 6 5374 1 1 38 TYR CD1 C 4.930 6.078 2.508 1.00 . A A . 38 TYR CD1 1 1 6 5375 1 1 38 TYR CD2 C 5.917 4.012 1.844 1.00 . A A . 38 TYR CD2 1 1 6 5376 1 1 38 TYR CE1 C 5.506 6.707 1.420 1.00 . A A . 38 TYR CE1 1 1 6 5377 1 1 38 TYR CE2 C 6.496 4.634 0.754 1.00 . A A . 38 TYR CE2 1 1 6 5378 1 1 38 TYR CG C 5.125 4.722 2.738 1.00 . A A . 38 TYR CG 1 1 6 5379 1 1 38 TYR CZ C 6.288 5.981 0.547 1.00 . A A . 38 TYR CZ 1 1 6 5380 1 1 38 TYR H H 5.904 2.702 5.554 1.00 . A A . 38 TYR H 1 1 6 5381 1 1 38 TYR HA H 5.585 5.449 5.109 1.00 . A A . 38 TYR HA 1 1 6 5382 1 1 38 TYR HB2 H 4.730 2.985 3.867 1.00 . A A . 38 TYR HB2 1 1 6 5383 1 1 38 TYR HB3 H 3.421 4.162 3.852 1.00 . A A . 38 TYR HB3 1 1 6 5384 1 1 38 TYR HD1 H 4.318 6.645 3.194 1.00 . A A . 38 TYR HD1 1 1 6 5385 1 1 38 TYR HD2 H 6.078 2.957 2.009 1.00 . A A . 38 TYR HD2 1 1 6 5386 1 1 38 TYR HE1 H 5.343 7.762 1.258 1.00 . A A . 38 TYR HE1 1 1 6 5387 1 1 38 TYR HE2 H 7.108 4.064 0.070 1.00 . A A . 38 TYR HE2 1 1 6 5388 1 1 38 TYR HH H 6.821 6.022 -1.300 1.00 . A A . 38 TYR HH 1 1 6 5389 1 1 38 TYR N N 5.777 3.580 5.966 1.00 . A A . 38 TYR N 1 1 6 5390 1 1 38 TYR O O 3.261 6.099 6.019 1.00 . A A . 38 TYR O 1 1 6 5391 1 1 38 TYR OH O 6.863 6.603 -0.537 1.00 . A A . 38 TYR OH 1 1 6 5392 1 1 39 ALA C C 2.384 5.547 8.716 1.00 . A A . 39 ALA C 1 1 6 5393 1 1 39 ALA CA C 2.177 4.309 7.847 1.00 . A A . 39 ALA CA 1 1 6 5394 1 1 39 ALA CB C 1.909 3.091 8.718 1.00 . A A . 39 ALA CB 1 1 6 5395 1 1 39 ALA H H 3.760 3.191 7.014 1.00 . A A . 39 ALA H 1 1 6 5396 1 1 39 ALA HA H 1.319 4.464 7.220 1.00 . A A . 39 ALA HA 1 1 6 5397 1 1 39 ALA HB1 H 0.849 3.010 8.907 1.00 . A A . 39 ALA HB1 1 1 6 5398 1 1 39 ALA HB2 H 2.434 3.198 9.656 1.00 . A A . 39 ALA HB2 1 1 6 5399 1 1 39 ALA HB3 H 2.255 2.203 8.212 1.00 . A A . 39 ALA HB3 1 1 6 5400 1 1 39 ALA N N 3.318 4.062 6.977 1.00 . A A . 39 ALA N 1 1 6 5401 1 1 39 ALA O O 1.424 6.119 9.233 1.00 . A A . 39 ALA O 1 1 6 5402 1 1 40 LYS C C 3.994 8.389 8.845 1.00 . A A . 40 LYS C 1 1 6 5403 1 1 40 LYS CA C 3.965 7.120 9.690 1.00 . A A . 40 LYS CA 1 1 6 5404 1 1 40 LYS CB C 5.316 6.922 10.380 1.00 . A A . 40 LYS CB 1 1 6 5405 1 1 40 LYS CD C 5.622 6.737 12.870 1.00 . A A . 40 LYS CD 1 1 6 5406 1 1 40 LYS CE C 4.419 5.823 13.033 1.00 . A A . 40 LYS CE 1 1 6 5407 1 1 40 LYS CG C 5.448 7.682 11.690 1.00 . A A . 40 LYS CG 1 1 6 5408 1 1 40 LYS H H 4.361 5.456 8.445 1.00 . A A . 40 LYS H 1 1 6 5409 1 1 40 LYS HA H 3.200 7.223 10.442 1.00 . A A . 40 LYS HA 1 1 6 5410 1 1 40 LYS HB2 H 5.453 5.870 10.581 1.00 . A A . 40 LYS HB2 1 1 6 5411 1 1 40 LYS HB3 H 6.099 7.256 9.715 1.00 . A A . 40 LYS HB3 1 1 6 5412 1 1 40 LYS HD2 H 6.501 6.132 12.708 1.00 . A A . 40 LYS HD2 1 1 6 5413 1 1 40 LYS HD3 H 5.745 7.321 13.770 1.00 . A A . 40 LYS HD3 1 1 6 5414 1 1 40 LYS HE2 H 3.951 5.688 12.069 1.00 . A A . 40 LYS HE2 1 1 6 5415 1 1 40 LYS HE3 H 4.757 4.867 13.405 1.00 . A A . 40 LYS HE3 1 1 6 5416 1 1 40 LYS HG2 H 6.309 8.331 11.634 1.00 . A A . 40 LYS HG2 1 1 6 5417 1 1 40 LYS HG3 H 4.558 8.274 11.843 1.00 . A A . 40 LYS HG3 1 1 6 5418 1 1 40 LYS HZ1 H 2.700 6.931 13.461 1.00 . A A . 40 LYS HZ1 1 1 6 5419 1 1 40 LYS HZ2 H 3.887 7.015 14.664 1.00 . A A . 40 LYS HZ2 1 1 6 5420 1 1 40 LYS HZ3 H 2.947 5.618 14.501 1.00 . A A . 40 LYS HZ3 1 1 6 5421 1 1 40 LYS N N 3.639 5.953 8.879 1.00 . A A . 40 LYS N 1 1 6 5422 1 1 40 LYS NZ N 3.418 6.386 13.981 1.00 . A A . 40 LYS NZ 1 1 6 5423 1 1 40 LYS O O 3.821 9.494 9.359 1.00 . A A . 40 LYS O 1 1 6 5424 1 1 41 ASP C C 2.896 10.009 6.481 1.00 . A A . 41 ASP C 1 1 6 5425 1 1 41 ASP CA C 4.270 9.349 6.625 1.00 . A A . 41 ASP CA 1 1 6 5426 1 1 41 ASP CB C 4.773 8.879 5.258 1.00 . A A . 41 ASP CB 1 1 6 5427 1 1 41 ASP CG C 4.788 9.991 4.227 1.00 . A A . 41 ASP CG 1 1 6 5428 1 1 41 ASP H H 4.345 7.316 7.202 1.00 . A A . 41 ASP H 1 1 6 5429 1 1 41 ASP HA H 4.966 10.069 7.025 1.00 . A A . 41 ASP HA 1 1 6 5430 1 1 41 ASP HB2 H 5.782 8.501 5.365 1.00 . A A . 41 ASP HB2 1 1 6 5431 1 1 41 ASP HB3 H 4.130 8.086 4.899 1.00 . A A . 41 ASP HB3 1 1 6 5432 1 1 41 ASP N N 4.215 8.221 7.548 1.00 . A A . 41 ASP N 1 1 6 5433 1 1 41 ASP O O 1.969 9.412 5.933 1.00 . A A . 41 ASP O 1 1 6 5434 1 1 41 ASP OD1 O 5.381 11.054 4.508 1.00 . A A . 41 ASP OD1 1 1 6 5435 1 1 41 ASP OD2 O 4.207 9.800 3.138 1.00 . A A . 41 ASP OD2 1 1 6 5436 1 1 42 PRO C C 1.358 12.807 5.623 1.00 . A A . 42 PRO C 1 1 6 5437 1 1 42 PRO CA C 1.484 11.987 6.904 1.00 . A A . 42 PRO CA 1 1 6 5438 1 1 42 PRO CB C 1.589 12.908 8.110 1.00 . A A . 42 PRO CB 1 1 6 5439 1 1 42 PRO CD C 3.788 12.048 7.653 1.00 . A A . 42 PRO CD 1 1 6 5440 1 1 42 PRO CG C 3.037 13.257 8.166 1.00 . A A . 42 PRO CG 1 1 6 5441 1 1 42 PRO HA H 0.630 11.337 7.010 1.00 . A A . 42 PRO HA 1 1 6 5442 1 1 42 PRO HB2 H 0.973 13.783 7.957 1.00 . A A . 42 PRO HB2 1 1 6 5443 1 1 42 PRO HB3 H 1.274 12.384 9.000 1.00 . A A . 42 PRO HB3 1 1 6 5444 1 1 42 PRO HD2 H 4.555 12.350 6.955 1.00 . A A . 42 PRO HD2 1 1 6 5445 1 1 42 PRO HD3 H 4.220 11.496 8.475 1.00 . A A . 42 PRO HD3 1 1 6 5446 1 1 42 PRO HG2 H 3.229 14.110 7.533 1.00 . A A . 42 PRO HG2 1 1 6 5447 1 1 42 PRO HG3 H 3.324 13.471 9.184 1.00 . A A . 42 PRO HG3 1 1 6 5448 1 1 42 PRO N N 2.745 11.252 6.975 1.00 . A A . 42 PRO N 1 1 6 5449 1 1 42 PRO O O 2.000 13.846 5.475 1.00 . A A . 42 PRO O 1 1 6 5450 1 1 43 THR C C -0.845 12.410 2.664 1.00 . A A . 43 THR C 1 1 6 5451 1 1 43 THR CA C 0.315 13.027 3.439 1.00 . A A . 43 THR CA 1 1 6 5452 1 1 43 THR CB C 1.589 12.990 2.594 1.00 . A A . 43 THR CB 1 1 6 5453 1 1 43 THR CG2 C 2.151 14.364 2.299 1.00 . A A . 43 THR CG2 1 1 6 5454 1 1 43 THR H H 0.043 11.506 4.878 1.00 . A A . 43 THR H 1 1 6 5455 1 1 43 THR HA H 0.075 14.053 3.661 1.00 . A A . 43 THR HA 1 1 6 5456 1 1 43 THR HB H 1.364 12.516 1.652 1.00 . A A . 43 THR HB 1 1 6 5457 1 1 43 THR HG1 H 2.267 11.367 3.454 1.00 . A A . 43 THR HG1 1 1 6 5458 1 1 43 THR HG21 H 3.147 14.265 1.894 1.00 . A A . 43 THR HG21 1 1 6 5459 1 1 43 THR HG22 H 2.189 14.940 3.212 1.00 . A A . 43 THR HG22 1 1 6 5460 1 1 43 THR HG23 H 1.519 14.866 1.582 1.00 . A A . 43 THR HG23 1 1 6 5461 1 1 43 THR N N 0.526 12.336 4.703 1.00 . A A . 43 THR N 1 1 6 5462 1 1 43 THR O O -1.697 13.122 2.133 1.00 . A A . 43 THR O 1 1 6 5463 1 1 43 THR OG1 O 2.602 12.240 3.239 1.00 . A A . 43 THR OG1 1 1 6 5464 1 1 44 TYR C C -3.223 10.374 2.686 1.00 . A A . 44 TYR C 1 1 6 5465 1 1 44 TYR CA C -1.924 10.372 1.888 1.00 . A A . 44 TYR CA 1 1 6 5466 1 1 44 TYR CB C -1.491 8.934 1.598 1.00 . A A . 44 TYR CB 1 1 6 5467 1 1 44 TYR CD1 C 0.954 9.140 1.005 1.00 . A A . 44 TYR CD1 1 1 6 5468 1 1 44 TYR CD2 C -0.560 8.431 -0.694 1.00 . A A . 44 TYR CD2 1 1 6 5469 1 1 44 TYR CE1 C 2.005 9.050 0.112 1.00 . A A . 44 TYR CE1 1 1 6 5470 1 1 44 TYR CE2 C 0.486 8.338 -1.593 1.00 . A A . 44 TYR CE2 1 1 6 5471 1 1 44 TYR CG C -0.344 8.833 0.618 1.00 . A A . 44 TYR CG 1 1 6 5472 1 1 44 TYR CZ C 1.766 8.648 -1.185 1.00 . A A . 44 TYR CZ 1 1 6 5473 1 1 44 TYR H H -0.161 10.570 3.043 1.00 . A A . 44 TYR H 1 1 6 5474 1 1 44 TYR HA H -2.091 10.883 0.951 1.00 . A A . 44 TYR HA 1 1 6 5475 1 1 44 TYR HB2 H -1.181 8.466 2.520 1.00 . A A . 44 TYR HB2 1 1 6 5476 1 1 44 TYR HB3 H -2.329 8.390 1.187 1.00 . A A . 44 TYR HB3 1 1 6 5477 1 1 44 TYR HD1 H 1.138 9.454 2.022 1.00 . A A . 44 TYR HD1 1 1 6 5478 1 1 44 TYR HD2 H -1.564 8.189 -1.011 1.00 . A A . 44 TYR HD2 1 1 6 5479 1 1 44 TYR HE1 H 3.007 9.293 0.432 1.00 . A A . 44 TYR HE1 1 1 6 5480 1 1 44 TYR HE2 H 0.298 8.024 -2.609 1.00 . A A . 44 TYR HE2 1 1 6 5481 1 1 44 TYR HH H 3.584 8.210 -1.629 1.00 . A A . 44 TYR HH 1 1 6 5482 1 1 44 TYR N N -0.870 11.083 2.601 1.00 . A A . 44 TYR N 1 1 6 5483 1 1 44 TYR O O -4.236 10.913 2.239 1.00 . A A . 44 TYR O 1 1 6 5484 1 1 44 TYR OH O 2.809 8.557 -2.077 1.00 . A A . 44 TYR OH 1 1 6 5485 1 1 45 GLY C C -5.545 9.050 4.005 1.00 . A A . 45 GLY C 1 1 6 5486 1 1 45 GLY CA C -4.373 9.709 4.706 1.00 . A A . 45 GLY CA 1 1 6 5487 1 1 45 GLY H H -2.355 9.353 4.172 1.00 . A A . 45 GLY H 1 1 6 5488 1 1 45 GLY HA2 H -4.141 9.151 5.601 1.00 . A A . 45 GLY HA2 1 1 6 5489 1 1 45 GLY HA3 H -4.653 10.715 4.984 1.00 . A A . 45 GLY HA3 1 1 6 5490 1 1 45 GLY N N -3.189 9.767 3.868 1.00 . A A . 45 GLY N 1 1 6 5491 1 1 45 GLY O O -6.701 9.381 4.267 1.00 . A A . 45 GLY O 1 1 6 5492 1 1 46 GLN C C -5.708 6.148 1.712 1.00 . A A . 46 GLN C 1 1 6 5493 1 1 46 GLN CA C -6.273 7.407 2.365 1.00 . A A . 46 GLN CA 1 1 6 5494 1 1 46 GLN CB C -6.877 8.326 1.303 1.00 . A A . 46 GLN CB 1 1 6 5495 1 1 46 GLN CD C -8.883 9.801 0.874 1.00 . A A . 46 GLN CD 1 1 6 5496 1 1 46 GLN CG C -8.386 8.475 1.414 1.00 . A A . 46 GLN CG 1 1 6 5497 1 1 46 GLN H H -4.306 7.899 2.946 1.00 . A A . 46 GLN H 1 1 6 5498 1 1 46 GLN HA H -7.042 7.122 3.062 1.00 . A A . 46 GLN HA 1 1 6 5499 1 1 46 GLN HB2 H -6.432 9.306 1.400 1.00 . A A . 46 GLN HB2 1 1 6 5500 1 1 46 GLN HB3 H -6.646 7.931 0.325 1.00 . A A . 46 GLN HB3 1 1 6 5501 1 1 46 GLN HE21 H -10.470 8.905 0.073 1.00 . A A . 46 GLN HE21 1 1 6 5502 1 1 46 GLN HE22 H -10.365 10.620 -0.173 1.00 . A A . 46 GLN HE22 1 1 6 5503 1 1 46 GLN HG2 H -8.855 7.678 0.857 1.00 . A A . 46 GLN HG2 1 1 6 5504 1 1 46 GLN HG3 H -8.666 8.399 2.455 1.00 . A A . 46 GLN HG3 1 1 6 5505 1 1 46 GLN N N -5.243 8.115 3.110 1.00 . A A . 46 GLN N 1 1 6 5506 1 1 46 GLN NE2 N -10.020 9.773 0.189 1.00 . A A . 46 GLN NE2 1 1 6 5507 1 1 46 GLN O O -6.355 5.101 1.699 1.00 . A A . 46 GLN O 1 1 6 5508 1 1 46 GLN OE1 O -8.252 10.840 1.070 1.00 . A A . 46 GLN OE1 1 1 6 5509 1 1 47 TYR C C -3.668 3.969 1.487 1.00 . A A . 47 TYR C 1 1 6 5510 1 1 47 TYR CA C -3.846 5.131 0.518 1.00 . A A . 47 TYR CA 1 1 6 5511 1 1 47 TYR CB C -2.492 5.553 -0.030 1.00 . A A . 47 TYR CB 1 1 6 5512 1 1 47 TYR CD1 C -1.810 3.346 -1.049 1.00 . A A . 47 TYR CD1 1 1 6 5513 1 1 47 TYR CD2 C -1.754 5.289 -2.430 1.00 . A A . 47 TYR CD2 1 1 6 5514 1 1 47 TYR CE1 C -1.366 2.576 -2.108 1.00 . A A . 47 TYR CE1 1 1 6 5515 1 1 47 TYR CE2 C -1.312 4.526 -3.493 1.00 . A A . 47 TYR CE2 1 1 6 5516 1 1 47 TYR CG C -2.011 4.713 -1.192 1.00 . A A . 47 TYR CG 1 1 6 5517 1 1 47 TYR CZ C -1.119 3.170 -3.327 1.00 . A A . 47 TYR CZ 1 1 6 5518 1 1 47 TYR H H -4.032 7.117 1.215 1.00 . A A . 47 TYR H 1 1 6 5519 1 1 47 TYR HA H -4.462 4.813 -0.297 1.00 . A A . 47 TYR HA 1 1 6 5520 1 1 47 TYR HB2 H -2.546 6.581 -0.362 1.00 . A A . 47 TYR HB2 1 1 6 5521 1 1 47 TYR HB3 H -1.770 5.469 0.757 1.00 . A A . 47 TYR HB3 1 1 6 5522 1 1 47 TYR HD1 H -2.005 2.883 -0.093 1.00 . A A . 47 TYR HD1 1 1 6 5523 1 1 47 TYR HD2 H -1.906 6.351 -2.557 1.00 . A A . 47 TYR HD2 1 1 6 5524 1 1 47 TYR HE1 H -1.215 1.515 -1.977 1.00 . A A . 47 TYR HE1 1 1 6 5525 1 1 47 TYR HE2 H -1.118 4.992 -4.447 1.00 . A A . 47 TYR HE2 1 1 6 5526 1 1 47 TYR HH H 0.199 2.067 -4.188 1.00 . A A . 47 TYR HH 1 1 6 5527 1 1 47 TYR N N -4.498 6.258 1.171 1.00 . A A . 47 TYR N 1 1 6 5528 1 1 47 TYR O O -4.083 2.844 1.209 1.00 . A A . 47 TYR O 1 1 6 5529 1 1 47 TYR OH O -0.677 2.407 -4.383 1.00 . A A . 47 TYR OH 1 1 6 5530 1 1 48 ILE C C -4.079 2.884 4.392 1.00 . A A . 48 ILE C 1 1 6 5531 1 1 48 ILE CA C -2.801 3.232 3.635 1.00 . A A . 48 ILE CA 1 1 6 5532 1 1 48 ILE CB C -1.722 3.677 4.641 1.00 . A A . 48 ILE CB 1 1 6 5533 1 1 48 ILE CD1 C 0.723 4.385 4.808 1.00 . A A . 48 ILE CD1 1 1 6 5534 1 1 48 ILE CG1 C -0.458 4.118 3.898 1.00 . A A . 48 ILE CG1 1 1 6 5535 1 1 48 ILE CG2 C -1.409 2.551 5.619 1.00 . A A . 48 ILE CG2 1 1 6 5536 1 1 48 ILE H H -2.732 5.163 2.785 1.00 . A A . 48 ILE H 1 1 6 5537 1 1 48 ILE HA H -2.445 2.349 3.129 1.00 . A A . 48 ILE HA 1 1 6 5538 1 1 48 ILE HB H -2.110 4.512 5.205 1.00 . A A . 48 ILE HB 1 1 6 5539 1 1 48 ILE HD11 H 0.450 5.125 5.545 1.00 . A A . 48 ILE HD11 1 1 6 5540 1 1 48 ILE HD12 H 1.554 4.749 4.222 1.00 . A A . 48 ILE HD12 1 1 6 5541 1 1 48 ILE HD13 H 1.007 3.469 5.306 1.00 . A A . 48 ILE HD13 1 1 6 5542 1 1 48 ILE HG12 H -0.170 3.345 3.203 1.00 . A A . 48 ILE HG12 1 1 6 5543 1 1 48 ILE HG13 H -0.668 5.027 3.352 1.00 . A A . 48 ILE HG13 1 1 6 5544 1 1 48 ILE HG21 H -2.166 1.785 5.542 1.00 . A A . 48 ILE HG21 1 1 6 5545 1 1 48 ILE HG22 H -1.393 2.942 6.626 1.00 . A A . 48 ILE HG22 1 1 6 5546 1 1 48 ILE HG23 H -0.443 2.127 5.383 1.00 . A A . 48 ILE HG23 1 1 6 5547 1 1 48 ILE N N -3.042 4.250 2.624 1.00 . A A . 48 ILE N 1 1 6 5548 1 1 48 ILE O O -4.402 1.710 4.571 1.00 . A A . 48 ILE O 1 1 6 5549 1 1 49 ARG C C -7.219 3.400 4.651 1.00 . A A . 49 ARG C 1 1 6 5550 1 1 49 ARG CA C -6.045 3.694 5.579 1.00 . A A . 49 ARG CA 1 1 6 5551 1 1 49 ARG CB C -6.363 4.907 6.456 1.00 . A A . 49 ARG CB 1 1 6 5552 1 1 49 ARG CD C -5.530 6.654 8.060 1.00 . A A . 49 ARG CD 1 1 6 5553 1 1 49 ARG CG C -5.155 5.462 7.194 1.00 . A A . 49 ARG CG 1 1 6 5554 1 1 49 ARG CZ C -6.117 9.022 7.707 1.00 . A A . 49 ARG CZ 1 1 6 5555 1 1 49 ARG H H -4.497 4.822 4.668 1.00 . A A . 49 ARG H 1 1 6 5556 1 1 49 ARG HA H -5.896 2.836 6.209 1.00 . A A . 49 ARG HA 1 1 6 5557 1 1 49 ARG HB2 H -6.768 5.691 5.834 1.00 . A A . 49 ARG HB2 1 1 6 5558 1 1 49 ARG HB3 H -7.104 4.622 7.188 1.00 . A A . 49 ARG HB3 1 1 6 5559 1 1 49 ARG HD2 H -6.291 6.347 8.762 1.00 . A A . 49 ARG HD2 1 1 6 5560 1 1 49 ARG HD3 H -4.654 6.981 8.600 1.00 . A A . 49 ARG HD3 1 1 6 5561 1 1 49 ARG HE H -6.343 7.573 6.354 1.00 . A A . 49 ARG HE 1 1 6 5562 1 1 49 ARG HG2 H -4.743 4.688 7.824 1.00 . A A . 49 ARG HG2 1 1 6 5563 1 1 49 ARG HG3 H -4.414 5.771 6.471 1.00 . A A . 49 ARG HG3 1 1 6 5564 1 1 49 ARG HH11 H -5.357 8.611 9.537 1.00 . A A . 49 ARG HH11 1 1 6 5565 1 1 49 ARG HH12 H -5.776 10.269 9.262 1.00 . A A . 49 ARG HH12 1 1 6 5566 1 1 49 ARG HH21 H -6.896 9.751 5.991 1.00 . A A . 49 ARG HH21 1 1 6 5567 1 1 49 ARG HH22 H -6.651 10.916 7.250 1.00 . A A . 49 ARG HH22 1 1 6 5568 1 1 49 ARG N N -4.804 3.907 4.838 1.00 . A A . 49 ARG N 1 1 6 5569 1 1 49 ARG NE N -6.041 7.768 7.265 1.00 . A A . 49 ARG NE 1 1 6 5570 1 1 49 ARG NH1 N -5.717 9.325 8.936 1.00 . A A . 49 ARG NH1 1 1 6 5571 1 1 49 ARG NH2 N -6.594 9.975 6.918 1.00 . A A . 49 ARG NH2 1 1 6 5572 1 1 49 ARG O O -8.370 3.685 4.979 1.00 . A A . 49 ARG O 1 1 6 5573 1 1 50 SER C C -8.620 1.154 2.913 1.00 . A A . 50 SER C 1 1 6 5574 1 1 50 SER CA C -7.943 2.467 2.529 1.00 . A A . 50 SER CA 1 1 6 5575 1 1 50 SER CB C -7.322 2.354 1.148 1.00 . A A . 50 SER CB 1 1 6 5576 1 1 50 SER H H -5.992 2.603 3.304 1.00 . A A . 50 SER H 1 1 6 5577 1 1 50 SER HA H -8.677 3.247 2.516 1.00 . A A . 50 SER HA 1 1 6 5578 1 1 50 SER HB2 H -6.423 2.956 1.106 1.00 . A A . 50 SER HB2 1 1 6 5579 1 1 50 SER HB3 H -7.077 1.328 0.969 1.00 . A A . 50 SER HB3 1 1 6 5580 1 1 50 SER HG H -8.608 3.631 0.406 1.00 . A A . 50 SER HG 1 1 6 5581 1 1 50 SER N N -6.921 2.817 3.501 1.00 . A A . 50 SER N 1 1 6 5582 1 1 50 SER O O -8.007 0.298 3.550 1.00 . A A . 50 SER O 1 1 6 5583 1 1 50 SER OG O -8.216 2.796 0.141 1.00 . A A . 50 SER OG 1 1 6 5584 1 1 51 PRO C C -10.174 -1.437 1.996 1.00 . A A . 51 PRO C 1 1 6 5585 1 1 51 PRO CA C -10.635 -0.254 2.840 1.00 . A A . 51 PRO CA 1 1 6 5586 1 1 51 PRO CB C -12.080 0.115 2.505 1.00 . A A . 51 PRO CB 1 1 6 5587 1 1 51 PRO CD C -10.709 1.933 1.762 1.00 . A A . 51 PRO CD 1 1 6 5588 1 1 51 PRO CG C -11.967 1.165 1.454 1.00 . A A . 51 PRO CG 1 1 6 5589 1 1 51 PRO HA H -10.557 -0.507 3.887 1.00 . A A . 51 PRO HA 1 1 6 5590 1 1 51 PRO HB2 H -12.601 -0.757 2.139 1.00 . A A . 51 PRO HB2 1 1 6 5591 1 1 51 PRO HB3 H -12.573 0.493 3.388 1.00 . A A . 51 PRO HB3 1 1 6 5592 1 1 51 PRO HD2 H -10.210 2.217 0.848 1.00 . A A . 51 PRO HD2 1 1 6 5593 1 1 51 PRO HD3 H -10.935 2.805 2.357 1.00 . A A . 51 PRO HD3 1 1 6 5594 1 1 51 PRO HG2 H -11.897 0.703 0.480 1.00 . A A . 51 PRO HG2 1 1 6 5595 1 1 51 PRO HG3 H -12.825 1.820 1.498 1.00 . A A . 51 PRO HG3 1 1 6 5596 1 1 51 PRO N N -9.894 0.970 2.528 1.00 . A A . 51 PRO N 1 1 6 5597 1 1 51 PRO O O -10.025 -2.551 2.498 1.00 . A A . 51 PRO O 1 1 6 5598 1 1 52 HIS C C -8.013 -2.482 -0.096 1.00 . A A . 52 HIS C 1 1 6 5599 1 1 52 HIS CA C -9.513 -2.233 -0.211 1.00 . A A . 52 HIS CA 1 1 6 5600 1 1 52 HIS CB C -9.868 -1.859 -1.653 1.00 . A A . 52 HIS CB 1 1 6 5601 1 1 52 HIS CD2 C -11.528 0.063 -2.186 1.00 . A A . 52 HIS CD2 1 1 6 5602 1 1 52 HIS CE1 C -13.394 -0.981 -1.704 1.00 . A A . 52 HIS CE1 1 1 6 5603 1 1 52 HIS CG C -11.202 -1.190 -1.789 1.00 . A A . 52 HIS CG 1 1 6 5604 1 1 52 HIS H H -10.093 -0.280 0.368 1.00 . A A . 52 HIS H 1 1 6 5605 1 1 52 HIS HA H -10.032 -3.138 0.052 1.00 . A A . 52 HIS HA 1 1 6 5606 1 1 52 HIS HB2 H -9.118 -1.184 -2.037 1.00 . A A . 52 HIS HB2 1 1 6 5607 1 1 52 HIS HB3 H -9.881 -2.755 -2.256 1.00 . A A . 52 HIS HB3 1 1 6 5608 1 1 52 HIS HD1 H -12.492 -2.741 -1.178 1.00 . A A . 52 HIS HD1 1 1 6 5609 1 1 52 HIS HD2 H -10.840 0.838 -2.494 1.00 . A A . 52 HIS HD2 1 1 6 5610 1 1 52 HIS HE1 H -14.441 -1.198 -1.555 1.00 . A A . 52 HIS HE1 1 1 6 5611 1 1 52 HIS HE2 H -13.413 0.986 -2.274 1.00 . A A . 52 HIS HE2 1 1 6 5612 1 1 52 HIS N N -9.954 -1.188 0.709 1.00 . A A . 52 HIS N 1 1 6 5613 1 1 52 HIS ND1 N -12.394 -1.818 -1.494 1.00 . A A . 52 HIS ND1 1 1 6 5614 1 1 52 HIS NE2 N -12.896 0.166 -2.124 1.00 . A A . 52 HIS NE2 1 1 6 5615 1 1 52 HIS O O -7.531 -3.575 -0.395 1.00 . A A . 52 HIS O 1 1 6 5616 1 1 53 ALA C C -5.451 -2.690 1.424 1.00 . A A . 53 ALA C 1 1 6 5617 1 1 53 ALA CA C -5.834 -1.566 0.475 1.00 . A A . 53 ALA CA 1 1 6 5618 1 1 53 ALA CB C -5.250 -0.248 0.958 1.00 . A A . 53 ALA CB 1 1 6 5619 1 1 53 ALA H H -7.717 -0.620 0.545 1.00 . A A . 53 ALA H 1 1 6 5620 1 1 53 ALA HA H -5.427 -1.776 -0.490 1.00 . A A . 53 ALA HA 1 1 6 5621 1 1 53 ALA HB1 H -4.189 -0.362 1.124 1.00 . A A . 53 ALA HB1 1 1 6 5622 1 1 53 ALA HB2 H -5.730 0.042 1.882 1.00 . A A . 53 ALA HB2 1 1 6 5623 1 1 53 ALA HB3 H -5.418 0.515 0.212 1.00 . A A . 53 ALA HB3 1 1 6 5624 1 1 53 ALA N N -7.279 -1.462 0.330 1.00 . A A . 53 ALA N 1 1 6 5625 1 1 53 ALA O O -4.639 -3.554 1.094 1.00 . A A . 53 ALA O 1 1 6 5626 1 1 54 ARG C C -5.998 -5.070 3.088 1.00 . A A . 54 ARG C 1 1 6 5627 1 1 54 ARG CA C -5.774 -3.664 3.626 1.00 . A A . 54 ARG CA 1 1 6 5628 1 1 54 ARG CB C -6.659 -3.421 4.850 1.00 . A A . 54 ARG CB 1 1 6 5629 1 1 54 ARG CD C -6.733 -2.907 7.311 1.00 . A A . 54 ARG CD 1 1 6 5630 1 1 54 ARG CG C -5.903 -3.468 6.166 1.00 . A A . 54 ARG CG 1 1 6 5631 1 1 54 ARG CZ C -8.845 -3.583 8.396 1.00 . A A . 54 ARG CZ 1 1 6 5632 1 1 54 ARG H H -6.669 -1.942 2.797 1.00 . A A . 54 ARG H 1 1 6 5633 1 1 54 ARG HA H -4.745 -3.566 3.913 1.00 . A A . 54 ARG HA 1 1 6 5634 1 1 54 ARG HB2 H -7.120 -2.449 4.758 1.00 . A A . 54 ARG HB2 1 1 6 5635 1 1 54 ARG HB3 H -7.432 -4.175 4.876 1.00 . A A . 54 ARG HB3 1 1 6 5636 1 1 54 ARG HD2 H -6.263 -3.181 8.243 1.00 . A A . 54 ARG HD2 1 1 6 5637 1 1 54 ARG HD3 H -6.760 -1.831 7.226 1.00 . A A . 54 ARG HD3 1 1 6 5638 1 1 54 ARG HE H -8.492 -3.656 6.434 1.00 . A A . 54 ARG HE 1 1 6 5639 1 1 54 ARG HG2 H -5.650 -4.494 6.388 1.00 . A A . 54 ARG HG2 1 1 6 5640 1 1 54 ARG HG3 H -4.999 -2.885 6.070 1.00 . A A . 54 ARG HG3 1 1 6 5641 1 1 54 ARG HH11 H -7.438 -2.897 9.679 1.00 . A A . 54 ARG HH11 1 1 6 5642 1 1 54 ARG HH12 H -8.927 -3.392 10.407 1.00 . A A . 54 ARG HH12 1 1 6 5643 1 1 54 ARG HH21 H -10.448 -4.301 7.397 1.00 . A A . 54 ARG HH21 1 1 6 5644 1 1 54 ARG HH22 H -10.635 -4.187 9.115 1.00 . A A . 54 ARG HH22 1 1 6 5645 1 1 54 ARG N N -6.040 -2.661 2.606 1.00 . A A . 54 ARG N 1 1 6 5646 1 1 54 ARG NE N -8.103 -3.419 7.302 1.00 . A A . 54 ARG NE 1 1 6 5647 1 1 54 ARG NH1 N -8.363 -3.264 9.592 1.00 . A A . 54 ARG NH1 1 1 6 5648 1 1 54 ARG NH2 N -10.077 -4.063 8.294 1.00 . A A . 54 ARG NH2 1 1 6 5649 1 1 54 ARG O O -5.322 -6.017 3.490 1.00 . A A . 54 ARG O 1 1 6 5650 1 1 55 ASP C C -6.149 -6.924 0.645 1.00 . A A . 55 ASP C 1 1 6 5651 1 1 55 ASP CA C -7.263 -6.481 1.576 1.00 . A A . 55 ASP CA 1 1 6 5652 1 1 55 ASP CB C -8.580 -6.410 0.818 1.00 . A A . 55 ASP CB 1 1 6 5653 1 1 55 ASP CG C -9.257 -7.762 0.706 1.00 . A A . 55 ASP CG 1 1 6 5654 1 1 55 ASP H H -7.445 -4.401 1.899 1.00 . A A . 55 ASP H 1 1 6 5655 1 1 55 ASP HA H -7.356 -7.193 2.359 1.00 . A A . 55 ASP HA 1 1 6 5656 1 1 55 ASP HB2 H -9.249 -5.729 1.326 1.00 . A A . 55 ASP HB2 1 1 6 5657 1 1 55 ASP HB3 H -8.381 -6.046 -0.172 1.00 . A A . 55 ASP HB3 1 1 6 5658 1 1 55 ASP N N -6.948 -5.194 2.176 1.00 . A A . 55 ASP N 1 1 6 5659 1 1 55 ASP O O -5.768 -8.094 0.621 1.00 . A A . 55 ASP O 1 1 6 5660 1 1 55 ASP OD1 O -9.676 -8.304 1.750 1.00 . A A . 55 ASP OD1 1 1 6 5661 1 1 55 ASP OD2 O -9.368 -8.278 -0.426 1.00 . A A . 55 ASP OD2 1 1 6 5662 1 1 56 THR C C -3.327 -6.779 -0.315 1.00 . A A . 56 THR C 1 1 6 5663 1 1 56 THR CA C -4.552 -6.242 -1.046 1.00 . A A . 56 THR CA 1 1 6 5664 1 1 56 THR CB C -4.192 -4.980 -1.812 1.00 . A A . 56 THR CB 1 1 6 5665 1 1 56 THR CG2 C -3.561 -5.255 -3.160 1.00 . A A . 56 THR CG2 1 1 6 5666 1 1 56 THR H H -5.975 -5.068 -0.038 1.00 . A A . 56 THR H 1 1 6 5667 1 1 56 THR HA H -4.895 -6.977 -1.738 1.00 . A A . 56 THR HA 1 1 6 5668 1 1 56 THR HB H -3.492 -4.423 -1.228 1.00 . A A . 56 THR HB 1 1 6 5669 1 1 56 THR HG1 H -5.922 -4.610 -2.653 1.00 . A A . 56 THR HG1 1 1 6 5670 1 1 56 THR HG21 H -3.379 -4.320 -3.670 1.00 . A A . 56 THR HG21 1 1 6 5671 1 1 56 THR HG22 H -4.228 -5.864 -3.753 1.00 . A A . 56 THR HG22 1 1 6 5672 1 1 56 THR HG23 H -2.626 -5.776 -3.021 1.00 . A A . 56 THR HG23 1 1 6 5673 1 1 56 THR N N -5.628 -5.974 -0.113 1.00 . A A . 56 THR N 1 1 6 5674 1 1 56 THR O O -2.751 -7.793 -0.709 1.00 . A A . 56 THR O 1 1 6 5675 1 1 56 THR OG1 O -5.339 -4.176 -2.027 1.00 . A A . 56 THR OG1 1 1 6 5676 1 1 57 LEU C C -1.982 -7.894 2.105 1.00 . A A . 57 LEU C 1 1 6 5677 1 1 57 LEU CA C -1.786 -6.497 1.541 1.00 . A A . 57 LEU CA 1 1 6 5678 1 1 57 LEU CB C -1.538 -5.499 2.669 1.00 . A A . 57 LEU CB 1 1 6 5679 1 1 57 LEU CD1 C -0.802 -3.118 2.387 1.00 . A A . 57 LEU CD1 1 1 6 5680 1 1 57 LEU CD2 C 0.693 -4.757 3.546 1.00 . A A . 57 LEU CD2 1 1 6 5681 1 1 57 LEU CG C -0.347 -4.568 2.450 1.00 . A A . 57 LEU CG 1 1 6 5682 1 1 57 LEU H H -3.433 -5.293 1.019 1.00 . A A . 57 LEU H 1 1 6 5683 1 1 57 LEU HA H -0.942 -6.502 0.894 1.00 . A A . 57 LEU HA 1 1 6 5684 1 1 57 LEU HB2 H -2.423 -4.897 2.775 1.00 . A A . 57 LEU HB2 1 1 6 5685 1 1 57 LEU HB3 H -1.375 -6.049 3.584 1.00 . A A . 57 LEU HB3 1 1 6 5686 1 1 57 LEU HD11 H -0.034 -2.481 2.801 1.00 . A A . 57 LEU HD11 1 1 6 5687 1 1 57 LEU HD12 H -1.712 -3.001 2.956 1.00 . A A . 57 LEU HD12 1 1 6 5688 1 1 57 LEU HD13 H -0.982 -2.842 1.359 1.00 . A A . 57 LEU HD13 1 1 6 5689 1 1 57 LEU HD21 H 0.608 -5.752 3.954 1.00 . A A . 57 LEU HD21 1 1 6 5690 1 1 57 LEU HD22 H 0.528 -4.031 4.328 1.00 . A A . 57 LEU HD22 1 1 6 5691 1 1 57 LEU HD23 H 1.681 -4.621 3.131 1.00 . A A . 57 LEU HD23 1 1 6 5692 1 1 57 LEU HG H 0.112 -4.812 1.508 1.00 . A A . 57 LEU HG 1 1 6 5693 1 1 57 LEU N N -2.936 -6.091 0.754 1.00 . A A . 57 LEU N 1 1 6 5694 1 1 57 LEU O O -1.119 -8.762 1.972 1.00 . A A . 57 LEU O 1 1 6 5695 1 1 58 THR C C -3.484 -10.470 2.254 1.00 . A A . 58 THR C 1 1 6 5696 1 1 58 THR CA C -3.459 -9.386 3.320 1.00 . A A . 58 THR CA 1 1 6 5697 1 1 58 THR CB C -4.808 -9.319 4.038 1.00 . A A . 58 THR CB 1 1 6 5698 1 1 58 THR CG2 C -5.108 -10.552 4.864 1.00 . A A . 58 THR CG2 1 1 6 5699 1 1 58 THR H H -3.765 -7.367 2.798 1.00 . A A . 58 THR H 1 1 6 5700 1 1 58 THR HA H -2.690 -9.621 4.034 1.00 . A A . 58 THR HA 1 1 6 5701 1 1 58 THR HB H -5.591 -9.216 3.301 1.00 . A A . 58 THR HB 1 1 6 5702 1 1 58 THR HG1 H -5.069 -7.412 4.396 1.00 . A A . 58 THR HG1 1 1 6 5703 1 1 58 THR HG21 H -5.401 -11.360 4.211 1.00 . A A . 58 THR HG21 1 1 6 5704 1 1 58 THR HG22 H -5.912 -10.336 5.553 1.00 . A A . 58 THR HG22 1 1 6 5705 1 1 58 THR HG23 H -4.226 -10.838 5.418 1.00 . A A . 58 THR HG23 1 1 6 5706 1 1 58 THR N N -3.128 -8.099 2.732 1.00 . A A . 58 THR N 1 1 6 5707 1 1 58 THR O O -2.940 -11.557 2.448 1.00 . A A . 58 THR O 1 1 6 5708 1 1 58 THR OG1 O -4.861 -8.199 4.903 1.00 . A A . 58 THR OG1 1 1 6 5709 1 1 59 SER C C -2.783 -11.619 -0.315 1.00 . A A . 59 SER C 1 1 6 5710 1 1 59 SER CA C -4.172 -11.102 0.014 1.00 . A A . 59 SER CA 1 1 6 5711 1 1 59 SER CB C -4.773 -10.425 -1.201 1.00 . A A . 59 SER CB 1 1 6 5712 1 1 59 SER H H -4.500 -9.278 1.009 1.00 . A A . 59 SER H 1 1 6 5713 1 1 59 SER HA H -4.793 -11.915 0.305 1.00 . A A . 59 SER HA 1 1 6 5714 1 1 59 SER HB2 H -5.514 -9.709 -0.880 1.00 . A A . 59 SER HB2 1 1 6 5715 1 1 59 SER HB3 H -3.991 -9.920 -1.729 1.00 . A A . 59 SER HB3 1 1 6 5716 1 1 59 SER HG H -4.705 -11.843 -2.551 1.00 . A A . 59 SER HG 1 1 6 5717 1 1 59 SER N N -4.100 -10.162 1.116 1.00 . A A . 59 SER N 1 1 6 5718 1 1 59 SER O O -2.604 -12.767 -0.723 1.00 . A A . 59 SER O 1 1 6 5719 1 1 59 SER OG O -5.383 -11.366 -2.068 1.00 . A A . 59 SER OG 1 1 6 5720 1 1 60 CYS C C 0.155 -11.871 0.804 1.00 . A A . 60 CYS C 1 1 6 5721 1 1 60 CYS CA C -0.418 -11.074 -0.362 1.00 . A A . 60 CYS CA 1 1 6 5722 1 1 60 CYS CB C 0.370 -9.783 -0.553 1.00 . A A . 60 CYS CB 1 1 6 5723 1 1 60 CYS H H -2.024 -9.858 0.219 1.00 . A A . 60 CYS H 1 1 6 5724 1 1 60 CYS HA H -0.361 -11.665 -1.263 1.00 . A A . 60 CYS HA 1 1 6 5725 1 1 60 CYS HB2 H -0.320 -8.979 -0.763 1.00 . A A . 60 CYS HB2 1 1 6 5726 1 1 60 CYS HB3 H 0.896 -9.561 0.360 1.00 . A A . 60 CYS HB3 1 1 6 5727 1 1 60 CYS N N -1.804 -10.750 -0.115 1.00 . A A . 60 CYS N 1 1 6 5728 1 1 60 CYS O O 0.982 -12.763 0.614 1.00 . A A . 60 CYS O 1 1 6 5729 1 1 60 CYS SG S 1.582 -9.841 -1.911 1.00 . A A . 60 CYS SG 1 1 6 5730 1 1 61 GLY C C 1.646 -11.938 3.483 1.00 . A A . 61 GLY C 1 1 6 5731 1 1 61 GLY CA C 0.189 -12.232 3.194 1.00 . A A . 61 GLY CA 1 1 6 5732 1 1 61 GLY H H -0.952 -10.817 2.109 1.00 . A A . 61 GLY H 1 1 6 5733 1 1 61 GLY HA2 H -0.405 -11.927 4.044 1.00 . A A . 61 GLY HA2 1 1 6 5734 1 1 61 GLY HA3 H 0.069 -13.295 3.047 1.00 . A A . 61 GLY HA3 1 1 6 5735 1 1 61 GLY N N -0.291 -11.539 2.015 1.00 . A A . 61 GLY N 1 1 6 5736 1 1 61 GLY O O 2.470 -12.851 3.541 1.00 . A A . 61 GLY O 1 1 6 5737 1 1 62 LEU C C 3.440 -9.614 5.339 1.00 . A A . 62 LEU C 1 1 6 5738 1 1 62 LEU CA C 3.340 -10.259 3.960 1.00 . A A . 62 LEU CA 1 1 6 5739 1 1 62 LEU CB C 3.894 -9.300 2.889 1.00 . A A . 62 LEU CB 1 1 6 5740 1 1 62 LEU CD1 C 2.771 -7.104 2.380 1.00 . A A . 62 LEU CD1 1 1 6 5741 1 1 62 LEU CD2 C 3.226 -8.725 0.538 1.00 . A A . 62 LEU CD2 1 1 6 5742 1 1 62 LEU CG C 2.861 -8.577 2.008 1.00 . A A . 62 LEU CG 1 1 6 5743 1 1 62 LEU H H 1.267 -9.977 3.617 1.00 . A A . 62 LEU H 1 1 6 5744 1 1 62 LEU HA H 3.944 -11.155 3.962 1.00 . A A . 62 LEU HA 1 1 6 5745 1 1 62 LEU HB2 H 4.489 -8.550 3.389 1.00 . A A . 62 LEU HB2 1 1 6 5746 1 1 62 LEU HB3 H 4.546 -9.869 2.242 1.00 . A A . 62 LEU HB3 1 1 6 5747 1 1 62 LEU HD11 H 2.578 -6.520 1.493 1.00 . A A . 62 LEU HD11 1 1 6 5748 1 1 62 LEU HD12 H 3.703 -6.787 2.824 1.00 . A A . 62 LEU HD12 1 1 6 5749 1 1 62 LEU HD13 H 1.967 -6.960 3.087 1.00 . A A . 62 LEU HD13 1 1 6 5750 1 1 62 LEU HD21 H 2.551 -8.133 -0.061 1.00 . A A . 62 LEU HD21 1 1 6 5751 1 1 62 LEU HD22 H 3.148 -9.762 0.251 1.00 . A A . 62 LEU HD22 1 1 6 5752 1 1 62 LEU HD23 H 4.240 -8.384 0.383 1.00 . A A . 62 LEU HD23 1 1 6 5753 1 1 62 LEU HG H 1.886 -9.016 2.155 1.00 . A A . 62 LEU HG 1 1 6 5754 1 1 62 LEU N N 1.968 -10.660 3.669 1.00 . A A . 62 LEU N 1 1 6 5755 1 1 62 LEU O O 3.907 -10.239 6.292 1.00 . A A . 62 LEU O 1 1 6 5756 1 1 63 ALA C C 1.931 -6.616 6.811 1.00 . A A . 63 ALA C 1 1 6 5757 1 1 63 ALA CA C 3.050 -7.647 6.706 1.00 . A A . 63 ALA CA 1 1 6 5758 1 1 63 ALA CB C 4.405 -6.978 6.883 1.00 . A A . 63 ALA CB 1 1 6 5759 1 1 63 ALA H H 2.642 -7.918 4.656 1.00 . A A . 63 ALA H 1 1 6 5760 1 1 63 ALA HA H 2.929 -8.370 7.492 1.00 . A A . 63 ALA HA 1 1 6 5761 1 1 63 ALA HB1 H 5.143 -7.499 6.291 1.00 . A A . 63 ALA HB1 1 1 6 5762 1 1 63 ALA HB2 H 4.690 -7.013 7.925 1.00 . A A . 63 ALA HB2 1 1 6 5763 1 1 63 ALA HB3 H 4.344 -5.950 6.561 1.00 . A A . 63 ALA HB3 1 1 6 5764 1 1 63 ALA N N 3.003 -8.364 5.442 1.00 . A A . 63 ALA N 1 1 6 5765 1 1 63 ALA O O 1.022 -6.579 5.982 1.00 . A A . 63 ALA O 1 1 6 5766 1 1 64 VAL C C 1.649 -3.524 8.738 1.00 . A A . 64 VAL C 1 1 6 5767 1 1 64 VAL CA C 1.015 -4.748 8.077 1.00 . A A . 64 VAL CA 1 1 6 5768 1 1 64 VAL CB C -0.118 -5.272 8.964 1.00 . A A . 64 VAL CB 1 1 6 5769 1 1 64 VAL CG1 C -1.167 -4.197 9.214 1.00 . A A . 64 VAL CG1 1 1 6 5770 1 1 64 VAL CG2 C -0.749 -6.511 8.348 1.00 . A A . 64 VAL CG2 1 1 6 5771 1 1 64 VAL H H 2.750 -5.863 8.467 1.00 . A A . 64 VAL H 1 1 6 5772 1 1 64 VAL HA H 0.602 -4.470 7.138 1.00 . A A . 64 VAL HA 1 1 6 5773 1 1 64 VAL HB H 0.314 -5.547 9.901 1.00 . A A . 64 VAL HB 1 1 6 5774 1 1 64 VAL HG11 H -1.830 -4.518 10.004 1.00 . A A . 64 VAL HG11 1 1 6 5775 1 1 64 VAL HG12 H -1.737 -4.033 8.311 1.00 . A A . 64 VAL HG12 1 1 6 5776 1 1 64 VAL HG13 H -0.680 -3.278 9.504 1.00 . A A . 64 VAL HG13 1 1 6 5777 1 1 64 VAL HG21 H -0.798 -6.396 7.276 1.00 . A A . 64 VAL HG21 1 1 6 5778 1 1 64 VAL HG22 H -1.747 -6.640 8.741 1.00 . A A . 64 VAL HG22 1 1 6 5779 1 1 64 VAL HG23 H -0.152 -7.378 8.590 1.00 . A A . 64 VAL HG23 1 1 6 5780 1 1 64 VAL N N 2.007 -5.781 7.844 1.00 . A A . 64 VAL N 1 1 6 5781 1 1 64 VAL O O 2.496 -3.660 9.621 1.00 . A A . 64 VAL O 1 1 6 5782 1 1 65 PRO C C 1.574 -0.982 10.400 1.00 . A A . 65 PRO C 1 1 6 5783 1 1 65 PRO CA C 1.790 -1.066 8.893 1.00 . A A . 65 PRO CA 1 1 6 5784 1 1 65 PRO CB C 1.005 0.040 8.171 1.00 . A A . 65 PRO CB 1 1 6 5785 1 1 65 PRO CD C 0.246 -2.035 7.284 1.00 . A A . 65 PRO CD 1 1 6 5786 1 1 65 PRO CG C -0.196 -0.640 7.614 1.00 . A A . 65 PRO CG 1 1 6 5787 1 1 65 PRO HA H 2.843 -0.962 8.679 1.00 . A A . 65 PRO HA 1 1 6 5788 1 1 65 PRO HB2 H 0.729 0.810 8.875 1.00 . A A . 65 PRO HB2 1 1 6 5789 1 1 65 PRO HB3 H 1.615 0.464 7.388 1.00 . A A . 65 PRO HB3 1 1 6 5790 1 1 65 PRO HD2 H -0.584 -2.722 7.352 1.00 . A A . 65 PRO HD2 1 1 6 5791 1 1 65 PRO HD3 H 0.690 -2.069 6.301 1.00 . A A . 65 PRO HD3 1 1 6 5792 1 1 65 PRO HG2 H -0.981 -0.659 8.355 1.00 . A A . 65 PRO HG2 1 1 6 5793 1 1 65 PRO HG3 H -0.529 -0.130 6.723 1.00 . A A . 65 PRO HG3 1 1 6 5794 1 1 65 PRO N N 1.250 -2.307 8.325 1.00 . A A . 65 PRO N 1 1 6 5795 1 1 65 PRO O O 1.340 -1.995 11.060 1.00 . A A . 65 PRO O 1 1 6 5796 1 1 66 HIS C C 2.516 -0.327 13.173 1.00 . A A . 66 HIS C 1 1 6 5797 1 1 66 HIS CA C 1.470 0.441 12.371 1.00 . A A . 66 HIS CA 1 1 6 5798 1 1 66 HIS CB C 0.066 0.008 12.796 1.00 . A A . 66 HIS CB 1 1 6 5799 1 1 66 HIS CD2 C -1.444 2.111 12.639 1.00 . A A . 66 HIS CD2 1 1 6 5800 1 1 66 HIS CE1 C -2.681 1.490 10.942 1.00 . A A . 66 HIS CE1 1 1 6 5801 1 1 66 HIS CG C -1.020 0.884 12.255 1.00 . A A . 66 HIS CG 1 1 6 5802 1 1 66 HIS H H 1.845 0.997 10.363 1.00 . A A . 66 HIS H 1 1 6 5803 1 1 66 HIS HA H 1.587 1.497 12.567 1.00 . A A . 66 HIS HA 1 1 6 5804 1 1 66 HIS HB2 H -0.114 -0.997 12.447 1.00 . A A . 66 HIS HB2 1 1 6 5805 1 1 66 HIS HB3 H 0.003 0.027 13.875 1.00 . A A . 66 HIS HB3 1 1 6 5806 1 1 66 HIS HD1 H -1.756 -0.317 10.688 1.00 . A A . 66 HIS HD1 1 1 6 5807 1 1 66 HIS HD2 H -1.045 2.702 13.448 1.00 . A A . 66 HIS HD2 1 1 6 5808 1 1 66 HIS HE1 H -3.428 1.485 10.166 1.00 . A A . 66 HIS HE1 1 1 6 5809 1 1 66 HIS HE2 H -2.920 3.338 11.789 1.00 . A A . 66 HIS HE2 1 1 6 5810 1 1 66 HIS N N 1.655 0.229 10.940 1.00 . A A . 66 HIS N 1 1 6 5811 1 1 66 HIS ND1 N -1.817 0.523 11.190 1.00 . A A . 66 HIS ND1 1 1 6 5812 1 1 66 HIS NE2 N -2.476 2.464 11.807 1.00 . A A . 66 HIS NE2 1 1 6 5813 1 1 66 HIS O O 2.229 -0.839 14.255 1.00 . A A . 66 HIS O 1 1 6 5814 1 1 67 CYS C C 5.794 -0.130 13.940 1.00 . A A . 67 CYS C 1 1 6 5815 1 1 67 CYS CA C 4.817 -1.111 13.300 1.00 . A A . 67 CYS CA 1 1 6 5816 1 1 67 CYS CB C 5.556 -2.008 12.304 1.00 . A A . 67 CYS CB 1 1 6 5817 1 1 67 CYS H H 3.896 0.024 11.769 1.00 . A A . 67 CYS H 1 1 6 5818 1 1 67 CYS HA H 4.387 -1.728 14.075 1.00 . A A . 67 CYS HA 1 1 6 5819 1 1 67 CYS HB2 H 6.435 -2.415 12.781 1.00 . A A . 67 CYS HB2 1 1 6 5820 1 1 67 CYS HB3 H 4.905 -2.817 12.009 1.00 . A A . 67 CYS HB3 1 1 6 5821 1 1 67 CYS N N 3.729 -0.404 12.635 1.00 . A A . 67 CYS N 1 1 6 5822 1 1 67 CYS O O 5.880 -0.110 15.186 1.00 . A A . 67 CYS O 1 1 6 5823 1 1 67 CYS OXT O 6.466 0.609 13.190 1.00 . A A . 67 CYS OXT 1 1 6 5824 1 1 67 CYS SG S 6.096 -1.151 10.790 1.00 . A A . 67 CYS SG 1 1 6 5825 2 2 1 PGM C1 C -14.178 -0.232 13.993 1.00 . B A . 68 PGM C1 1 1 6 5826 2 2 1 PGM C2 C -12.892 0.433 13.765 1.00 . B A . 68 PGM C2 1 1 6 5827 2 2 1 PGM C3 C -12.349 0.135 12.438 1.00 . B A . 68 PGM C3 1 1 6 5828 2 2 1 PGM C7 C -7.427 -1.552 12.714 1.00 . B A . 68 PGM C7 1 1 6 5829 2 2 1 PGM C8 C -6.094 -1.073 12.339 1.00 . B A . 68 PGM C8 1 1 6 5830 2 2 1 PGM C9 C -5.904 -1.070 10.911 1.00 . B A . 68 PGM C9 1 1 6 5831 2 2 1 PGM CA C -6.292 0.414 9.167 1.00 . B A . 68 PGM CA 1 1 6 5832 2 2 1 PGM CB C -5.243 0.928 8.279 1.00 . B A . 68 PGM CB 1 1 6 5833 2 2 1 PGM CC C -4.820 0.013 7.159 1.00 . B A . 68 PGM CC 1 1 6 5834 2 2 1 PGM CD C -3.333 -0.139 6.999 1.00 . B A . 68 PGM CD 1 1 6 5835 2 2 1 PGM CE C -2.928 -1.190 6.010 1.00 . B A . 68 PGM CE 1 1 6 5836 2 2 1 PGM CF C -2.724 -0.681 4.615 1.00 . B A . 68 PGM CF 1 1 6 5837 2 2 1 PGM CG C -1.288 -0.557 4.198 1.00 . B A . 68 PGM CG 1 1 6 5838 2 2 1 PGM CH C -1.065 0.071 2.863 1.00 . B A . 68 PGM CH 1 1 6 5839 2 2 1 PGM CI C 0.281 0.687 2.669 1.00 . B A . 68 PGM CI 1 1 6 5840 2 2 1 PGM CJ C 0.438 1.459 1.402 1.00 . B A . 68 PGM CJ 1 1 6 5841 2 2 1 PGM CK C 1.641 2.342 1.333 1.00 . B A . 68 PGM CK 1 1 6 5842 2 2 1 PGM CL C 1.357 3.786 1.056 1.00 . B A . 68 PGM CL 1 1 6 5843 2 2 1 PGM CM C 2.178 4.400 -0.032 1.00 . B A . 68 PGM CM 1 1 6 5844 2 2 1 PGM CN C 1.429 5.293 -0.968 1.00 . B A . 68 PGM CN 1 1 6 5845 2 2 1 PGM CO C 1.649 5.020 -2.421 1.00 . B A . 68 PGM CO 1 1 6 5846 2 2 1 PGM CP C 2.780 5.792 -3.032 1.00 . B A . 68 PGM CP 1 1 6 5847 2 2 1 PGM O1 O -14.512 -0.131 15.355 1.00 . B A . 68 PGM O1 1 1 6 5848 2 2 1 PGM O2 O -13.064 1.823 13.891 1.00 . B A . 68 PGM O2 1 1 6 5849 2 2 1 PGM O4 O -10.921 0.257 12.495 1.00 . B A . 68 PGM O4 1 1 6 5850 2 2 1 PGM O5A O -10.221 -1.718 13.886 1.00 . B A . 68 PGM O5A 1 1 6 5851 2 2 1 PGM O5B O -10.340 -1.895 11.360 1.00 . B A . 68 PGM O5B 1 1 6 5852 2 2 1 PGM O6 O -8.527 -0.584 12.453 1.00 . B A . 68 PGM O6 1 1 6 5853 2 2 1 PGM O8 O -5.689 0.168 12.860 1.00 . B A . 68 PGM O8 1 1 6 5854 2 2 1 PGM OQ1 O -7.422 0.184 8.614 1.00 . B A . 68 PGM OQ1 1 1 6 5855 2 2 1 PGM OQ2 O -6.140 0.293 10.344 1.00 . B A . 68 PGM OQ2 1 1 6 5856 2 2 1 PGM P5 P -10.043 -1.083 12.560 1.00 . B A . 68 PGM P5 1 1 7 5857 1 1 1 ALA C C 14.388 3.699 -1.648 1.00 . A A . 1 ALA C 1 1 7 5858 1 1 1 ALA CA C 15.832 3.240 -1.476 1.00 . A A . 1 ALA CA 1 1 7 5859 1 1 1 ALA CB C 16.609 4.242 -0.634 1.00 . A A . 1 ALA CB 1 1 7 5860 1 1 1 ALA H1 H 16.594 3.989 -3.234 1.00 . A A . 1 ALA H1 1 1 7 5861 1 1 1 ALA H2 H 15.886 2.431 -3.366 1.00 . A A . 1 ALA H2 1 1 7 5862 1 1 1 ALA H3 H 17.422 2.619 -2.623 1.00 . A A . 1 ALA H3 1 1 7 5863 1 1 1 ALA HA H 15.836 2.293 -0.956 1.00 . A A . 1 ALA HA 1 1 7 5864 1 1 1 ALA HB1 H 15.925 4.787 -0.001 1.00 . A A . 1 ALA HB1 1 1 7 5865 1 1 1 ALA HB2 H 17.127 4.932 -1.284 1.00 . A A . 1 ALA HB2 1 1 7 5866 1 1 1 ALA HB3 H 17.327 3.717 -0.021 1.00 . A A . 1 ALA HB3 1 1 7 5867 1 1 1 ALA N N 16.493 3.053 -2.793 1.00 . A A . 1 ALA N 1 1 7 5868 1 1 1 ALA O O 14.068 4.869 -1.435 1.00 . A A . 1 ALA O 1 1 7 5869 1 1 2 CYS C C 11.929 4.121 -3.331 1.00 . A A . 2 CYS C 1 1 7 5870 1 1 2 CYS CA C 12.108 3.077 -2.234 1.00 . A A . 2 CYS CA 1 1 7 5871 1 1 2 CYS CB C 11.480 3.575 -0.930 1.00 . A A . 2 CYS CB 1 1 7 5872 1 1 2 CYS H H 13.836 1.855 -2.186 1.00 . A A . 2 CYS H 1 1 7 5873 1 1 2 CYS HA H 11.612 2.167 -2.536 1.00 . A A . 2 CYS HA 1 1 7 5874 1 1 2 CYS HB2 H 11.752 4.609 -0.780 1.00 . A A . 2 CYS HB2 1 1 7 5875 1 1 2 CYS HB3 H 10.405 3.499 -1.006 1.00 . A A . 2 CYS HB3 1 1 7 5876 1 1 2 CYS N N 13.520 2.770 -2.033 1.00 . A A . 2 CYS N 1 1 7 5877 1 1 2 CYS O O 12.180 5.308 -3.121 1.00 . A A . 2 CYS O 1 1 7 5878 1 1 2 CYS SG S 11.997 2.648 0.551 1.00 . A A . 2 CYS SG 1 1 7 5879 1 1 3 GLN C C 10.204 5.599 -5.330 1.00 . A A . 3 GLN C 1 1 7 5880 1 1 3 GLN CA C 11.282 4.562 -5.638 1.00 . A A . 3 GLN CA 1 1 7 5881 1 1 3 GLN CB C 10.891 3.756 -6.878 1.00 . A A . 3 GLN CB 1 1 7 5882 1 1 3 GLN CD C 12.002 2.206 -8.536 1.00 . A A . 3 GLN CD 1 1 7 5883 1 1 3 GLN CG C 11.725 2.500 -7.075 1.00 . A A . 3 GLN CG 1 1 7 5884 1 1 3 GLN H H 11.313 2.712 -4.608 1.00 . A A . 3 GLN H 1 1 7 5885 1 1 3 GLN HA H 12.212 5.075 -5.833 1.00 . A A . 3 GLN HA 1 1 7 5886 1 1 3 GLN HB2 H 9.855 3.464 -6.792 1.00 . A A . 3 GLN HB2 1 1 7 5887 1 1 3 GLN HB3 H 11.009 4.381 -7.751 1.00 . A A . 3 GLN HB3 1 1 7 5888 1 1 3 GLN HE21 H 10.595 0.801 -8.546 1.00 . A A . 3 GLN HE21 1 1 7 5889 1 1 3 GLN HE22 H 11.424 1.044 -10.042 1.00 . A A . 3 GLN HE22 1 1 7 5890 1 1 3 GLN HG2 H 12.669 2.626 -6.565 1.00 . A A . 3 GLN HG2 1 1 7 5891 1 1 3 GLN HG3 H 11.196 1.661 -6.648 1.00 . A A . 3 GLN HG3 1 1 7 5892 1 1 3 GLN N N 11.495 3.670 -4.503 1.00 . A A . 3 GLN N 1 1 7 5893 1 1 3 GLN NE2 N 11.266 1.254 -9.098 1.00 . A A . 3 GLN NE2 1 1 7 5894 1 1 3 GLN O O 10.146 6.653 -5.965 1.00 . A A . 3 GLN O 1 1 7 5895 1 1 3 GLN OE1 O 12.869 2.826 -9.153 1.00 . A A . 3 GLN OE1 1 1 7 5896 1 1 4 ALA C C 7.172 6.256 -5.026 1.00 . A A . 4 ALA C 1 1 7 5897 1 1 4 ALA CA C 8.271 6.200 -3.965 1.00 . A A . 4 ALA CA 1 1 7 5898 1 1 4 ALA CB C 8.818 7.596 -3.697 1.00 . A A . 4 ALA CB 1 1 7 5899 1 1 4 ALA H H 9.444 4.440 -3.887 1.00 . A A . 4 ALA H 1 1 7 5900 1 1 4 ALA HA H 7.845 5.828 -3.044 1.00 . A A . 4 ALA HA 1 1 7 5901 1 1 4 ALA HB1 H 8.998 8.098 -4.636 1.00 . A A . 4 ALA HB1 1 1 7 5902 1 1 4 ALA HB2 H 9.744 7.520 -3.147 1.00 . A A . 4 ALA HB2 1 1 7 5903 1 1 4 ALA HB3 H 8.100 8.159 -3.119 1.00 . A A . 4 ALA HB3 1 1 7 5904 1 1 4 ALA N N 9.350 5.295 -4.355 1.00 . A A . 4 ALA N 1 1 7 5905 1 1 4 ALA O O 6.262 7.081 -4.941 1.00 . A A . 4 ALA O 1 1 7 5906 1 1 5 SER C C 5.903 3.890 -7.446 1.00 . A A . 5 SER C 1 1 7 5907 1 1 5 SER CA C 6.264 5.331 -7.088 1.00 . A A . 5 SER CA 1 1 7 5908 1 1 5 SER CB C 6.786 6.059 -8.328 1.00 . A A . 5 SER CB 1 1 7 5909 1 1 5 SER H H 8.001 4.740 -6.036 1.00 . A A . 5 SER H 1 1 7 5910 1 1 5 SER HA H 5.376 5.834 -6.735 1.00 . A A . 5 SER HA 1 1 7 5911 1 1 5 SER HB2 H 7.556 6.757 -8.036 1.00 . A A . 5 SER HB2 1 1 7 5912 1 1 5 SER HB3 H 7.197 5.337 -9.019 1.00 . A A . 5 SER HB3 1 1 7 5913 1 1 5 SER HG H 5.159 6.152 -9.415 1.00 . A A . 5 SER HG 1 1 7 5914 1 1 5 SER N N 7.257 5.376 -6.020 1.00 . A A . 5 SER N 1 1 7 5915 1 1 5 SER O O 5.267 3.637 -8.469 1.00 . A A . 5 SER O 1 1 7 5916 1 1 5 SER OG O 5.747 6.772 -8.976 1.00 . A A . 5 SER OG 1 1 7 5917 1 1 6 GLN C C 4.623 1.180 -6.383 1.00 . A A . 6 GLN C 1 1 7 5918 1 1 6 GLN CA C 6.037 1.544 -6.827 1.00 . A A . 6 GLN CA 1 1 7 5919 1 1 6 GLN CB C 7.058 0.682 -6.082 1.00 . A A . 6 GLN CB 1 1 7 5920 1 1 6 GLN CD C 9.270 -0.460 -6.510 1.00 . A A . 6 GLN CD 1 1 7 5921 1 1 6 GLN CG C 8.474 0.825 -6.616 1.00 . A A . 6 GLN CG 1 1 7 5922 1 1 6 GLN H H 6.813 3.201 -5.809 1.00 . A A . 6 GLN H 1 1 7 5923 1 1 6 GLN HA H 6.132 1.367 -7.878 1.00 . A A . 6 GLN HA 1 1 7 5924 1 1 6 GLN HB2 H 7.059 0.963 -5.039 1.00 . A A . 6 GLN HB2 1 1 7 5925 1 1 6 GLN HB3 H 6.768 -0.355 -6.166 1.00 . A A . 6 GLN HB3 1 1 7 5926 1 1 6 GLN HE21 H 8.288 -1.225 -8.060 1.00 . A A . 6 GLN HE21 1 1 7 5927 1 1 6 GLN HE22 H 9.486 -2.249 -7.351 1.00 . A A . 6 GLN HE22 1 1 7 5928 1 1 6 GLN HG2 H 8.426 1.116 -7.654 1.00 . A A . 6 GLN HG2 1 1 7 5929 1 1 6 GLN HG3 H 8.981 1.593 -6.051 1.00 . A A . 6 GLN HG3 1 1 7 5930 1 1 6 GLN N N 6.313 2.948 -6.600 1.00 . A A . 6 GLN N 1 1 7 5931 1 1 6 GLN NE2 N 8.986 -1.407 -7.396 1.00 . A A . 6 GLN NE2 1 1 7 5932 1 1 6 GLN O O 4.069 0.166 -6.809 1.00 . A A . 6 GLN O 1 1 7 5933 1 1 6 GLN OE1 O 10.132 -0.600 -5.642 1.00 . A A . 6 GLN OE1 1 1 7 5934 1 1 7 LEU C C 1.660 2.571 -5.798 1.00 . A A . 7 LEU C 1 1 7 5935 1 1 7 LEU CA C 2.700 1.775 -5.011 1.00 . A A . 7 LEU CA 1 1 7 5936 1 1 7 LEU CB C 2.629 2.146 -3.527 1.00 . A A . 7 LEU CB 1 1 7 5937 1 1 7 LEU CD1 C 3.944 2.698 -1.465 1.00 . A A . 7 LEU CD1 1 1 7 5938 1 1 7 LEU CD2 C 3.957 0.364 -2.366 1.00 . A A . 7 LEU CD2 1 1 7 5939 1 1 7 LEU CG C 3.894 1.843 -2.721 1.00 . A A . 7 LEU CG 1 1 7 5940 1 1 7 LEU H H 4.539 2.799 -5.212 1.00 . A A . 7 LEU H 1 1 7 5941 1 1 7 LEU HA H 2.486 0.723 -5.118 1.00 . A A . 7 LEU HA 1 1 7 5942 1 1 7 LEU HB2 H 2.423 3.204 -3.452 1.00 . A A . 7 LEU HB2 1 1 7 5943 1 1 7 LEU HB3 H 1.807 1.604 -3.082 1.00 . A A . 7 LEU HB3 1 1 7 5944 1 1 7 LEU HD11 H 3.828 3.738 -1.733 1.00 . A A . 7 LEU HD11 1 1 7 5945 1 1 7 LEU HD12 H 4.895 2.558 -0.971 1.00 . A A . 7 LEU HD12 1 1 7 5946 1 1 7 LEU HD13 H 3.146 2.407 -0.799 1.00 . A A . 7 LEU HD13 1 1 7 5947 1 1 7 LEU HD21 H 2.963 -0.057 -2.403 1.00 . A A . 7 LEU HD21 1 1 7 5948 1 1 7 LEU HD22 H 4.359 0.249 -1.371 1.00 . A A . 7 LEU HD22 1 1 7 5949 1 1 7 LEU HD23 H 4.593 -0.149 -3.073 1.00 . A A . 7 LEU HD23 1 1 7 5950 1 1 7 LEU HG H 4.762 2.081 -3.320 1.00 . A A . 7 LEU HG 1 1 7 5951 1 1 7 LEU N N 4.046 2.011 -5.520 1.00 . A A . 7 LEU N 1 1 7 5952 1 1 7 LEU O O 0.467 2.275 -5.738 1.00 . A A . 7 LEU O 1 1 7 5953 1 1 8 ALA C C 0.260 3.580 -8.155 1.00 . A A . 8 ALA C 1 1 7 5954 1 1 8 ALA CA C 1.221 4.420 -7.327 1.00 . A A . 8 ALA CA 1 1 7 5955 1 1 8 ALA CB C 2.025 5.346 -8.227 1.00 . A A . 8 ALA CB 1 1 7 5956 1 1 8 ALA H H 3.075 3.777 -6.541 1.00 . A A . 8 ALA H 1 1 7 5957 1 1 8 ALA HA H 0.653 5.024 -6.650 1.00 . A A . 8 ALA HA 1 1 7 5958 1 1 8 ALA HB1 H 1.357 6.033 -8.726 1.00 . A A . 8 ALA HB1 1 1 7 5959 1 1 8 ALA HB2 H 2.555 4.761 -8.964 1.00 . A A . 8 ALA HB2 1 1 7 5960 1 1 8 ALA HB3 H 2.734 5.902 -7.632 1.00 . A A . 8 ALA HB3 1 1 7 5961 1 1 8 ALA N N 2.116 3.584 -6.533 1.00 . A A . 8 ALA N 1 1 7 5962 1 1 8 ALA O O -0.957 3.753 -8.089 1.00 . A A . 8 ALA O 1 1 7 5963 1 1 9 VAL C C -1.032 1.051 -8.988 1.00 . A A . 9 VAL C 1 1 7 5964 1 1 9 VAL CA C 0.039 1.790 -9.786 1.00 . A A . 9 VAL CA 1 1 7 5965 1 1 9 VAL CB C 0.937 0.763 -10.504 1.00 . A A . 9 VAL CB 1 1 7 5966 1 1 9 VAL CG1 C 1.661 -0.114 -9.494 1.00 . A A . 9 VAL CG1 1 1 7 5967 1 1 9 VAL CG2 C 0.122 -0.082 -11.475 1.00 . A A . 9 VAL CG2 1 1 7 5968 1 1 9 VAL H H 1.793 2.596 -8.932 1.00 . A A . 9 VAL H 1 1 7 5969 1 1 9 VAL HA H -0.440 2.399 -10.530 1.00 . A A . 9 VAL HA 1 1 7 5970 1 1 9 VAL HB H 1.681 1.304 -11.072 1.00 . A A . 9 VAL HB 1 1 7 5971 1 1 9 VAL HG11 H 1.075 -0.999 -9.299 1.00 . A A . 9 VAL HG11 1 1 7 5972 1 1 9 VAL HG12 H 1.800 0.436 -8.574 1.00 . A A . 9 VAL HG12 1 1 7 5973 1 1 9 VAL HG13 H 2.625 -0.399 -9.890 1.00 . A A . 9 VAL HG13 1 1 7 5974 1 1 9 VAL HG21 H 0.233 -1.127 -11.226 1.00 . A A . 9 VAL HG21 1 1 7 5975 1 1 9 VAL HG22 H 0.473 0.086 -12.482 1.00 . A A . 9 VAL HG22 1 1 7 5976 1 1 9 VAL HG23 H -0.920 0.194 -11.407 1.00 . A A . 9 VAL HG23 1 1 7 5977 1 1 9 VAL N N 0.823 2.672 -8.932 1.00 . A A . 9 VAL N 1 1 7 5978 1 1 9 VAL O O -2.058 0.642 -9.532 1.00 . A A . 9 VAL O 1 1 7 5979 1 1 10 CYS C C -2.881 1.111 -6.457 1.00 . A A . 10 CYS C 1 1 7 5980 1 1 10 CYS CA C -1.717 0.198 -6.812 1.00 . A A . 10 CYS CA 1 1 7 5981 1 1 10 CYS CB C -1.003 -0.231 -5.535 1.00 . A A . 10 CYS CB 1 1 7 5982 1 1 10 CYS H H 0.053 1.235 -7.327 1.00 . A A . 10 CYS H 1 1 7 5983 1 1 10 CYS HA H -2.091 -0.676 -7.324 1.00 . A A . 10 CYS HA 1 1 7 5984 1 1 10 CYS HB2 H 0.020 -0.471 -5.771 1.00 . A A . 10 CYS HB2 1 1 7 5985 1 1 10 CYS HB3 H -1.021 0.593 -4.832 1.00 . A A . 10 CYS HB3 1 1 7 5986 1 1 10 CYS N N -0.782 0.885 -7.697 1.00 . A A . 10 CYS N 1 1 7 5987 1 1 10 CYS O O -3.996 0.654 -6.209 1.00 . A A . 10 CYS O 1 1 7 5988 1 1 10 CYS SG S -1.749 -1.675 -4.712 1.00 . A A . 10 CYS SG 1 1 7 5989 1 1 11 ALA C C -4.930 3.129 -6.787 1.00 . A A . 11 ALA C 1 1 7 5990 1 1 11 ALA CA C -3.601 3.423 -6.108 1.00 . A A . 11 ALA CA 1 1 7 5991 1 1 11 ALA CB C -3.100 4.803 -6.506 1.00 . A A . 11 ALA CB 1 1 7 5992 1 1 11 ALA H H -1.686 2.693 -6.639 1.00 . A A . 11 ALA H 1 1 7 5993 1 1 11 ALA HA H -3.746 3.413 -5.042 1.00 . A A . 11 ALA HA 1 1 7 5994 1 1 11 ALA HB1 H -3.378 5.005 -7.530 1.00 . A A . 11 ALA HB1 1 1 7 5995 1 1 11 ALA HB2 H -2.024 4.837 -6.412 1.00 . A A . 11 ALA HB2 1 1 7 5996 1 1 11 ALA HB3 H -3.541 5.547 -5.860 1.00 . A A . 11 ALA HB3 1 1 7 5997 1 1 11 ALA N N -2.599 2.409 -6.433 1.00 . A A . 11 ALA N 1 1 7 5998 1 1 11 ALA O O -5.996 3.456 -6.266 1.00 . A A . 11 ALA O 1 1 7 5999 1 1 12 SER C C -7.056 1.423 -7.845 1.00 . A A . 12 SER C 1 1 7 6000 1 1 12 SER CA C -6.039 2.154 -8.718 1.00 . A A . 12 SER CA 1 1 7 6001 1 1 12 SER CB C -5.657 1.282 -9.915 1.00 . A A . 12 SER CB 1 1 7 6002 1 1 12 SER H H -3.969 2.276 -8.304 1.00 . A A . 12 SER H 1 1 7 6003 1 1 12 SER HA H -6.480 3.069 -9.078 1.00 . A A . 12 SER HA 1 1 7 6004 1 1 12 SER HB2 H -4.670 1.555 -10.257 1.00 . A A . 12 SER HB2 1 1 7 6005 1 1 12 SER HB3 H -5.660 0.244 -9.617 1.00 . A A . 12 SER HB3 1 1 7 6006 1 1 12 SER HG H -7.462 1.259 -10.678 1.00 . A A . 12 SER HG 1 1 7 6007 1 1 12 SER N N -4.851 2.506 -7.952 1.00 . A A . 12 SER N 1 1 7 6008 1 1 12 SER O O -8.264 1.530 -8.057 1.00 . A A . 12 SER O 1 1 7 6009 1 1 12 SER OG O -6.573 1.452 -10.984 1.00 . A A . 12 SER OG 1 1 7 6010 1 1 13 ALA C C -7.685 0.709 -4.679 1.00 . A A . 13 ALA C 1 1 7 6011 1 1 13 ALA CA C -7.411 -0.072 -5.961 1.00 . A A . 13 ALA CA 1 1 7 6012 1 1 13 ALA CB C -6.784 -1.420 -5.638 1.00 . A A . 13 ALA CB 1 1 7 6013 1 1 13 ALA H H -5.591 0.630 -6.748 1.00 . A A . 13 ALA H 1 1 7 6014 1 1 13 ALA HA H -8.341 -0.249 -6.468 1.00 . A A . 13 ALA HA 1 1 7 6015 1 1 13 ALA HB1 H -5.709 -1.341 -5.697 1.00 . A A . 13 ALA HB1 1 1 7 6016 1 1 13 ALA HB2 H -7.130 -2.157 -6.348 1.00 . A A . 13 ALA HB2 1 1 7 6017 1 1 13 ALA HB3 H -7.069 -1.720 -4.641 1.00 . A A . 13 ALA HB3 1 1 7 6018 1 1 13 ALA N N -6.556 0.678 -6.864 1.00 . A A . 13 ALA N 1 1 7 6019 1 1 13 ALA O O -8.738 0.553 -4.060 1.00 . A A . 13 ALA O 1 1 7 6020 1 1 14 ILE C C -7.818 3.530 -3.309 1.00 . A A . 14 ILE C 1 1 7 6021 1 1 14 ILE CA C -6.876 2.351 -3.074 1.00 . A A . 14 ILE CA 1 1 7 6022 1 1 14 ILE CB C -5.509 2.880 -2.582 1.00 . A A . 14 ILE CB 1 1 7 6023 1 1 14 ILE CD1 C -3.842 1.057 -3.205 1.00 . A A . 14 ILE CD1 1 1 7 6024 1 1 14 ILE CG1 C -4.629 1.725 -2.098 1.00 . A A . 14 ILE CG1 1 1 7 6025 1 1 14 ILE CG2 C -5.693 3.903 -1.469 1.00 . A A . 14 ILE CG2 1 1 7 6026 1 1 14 ILE H H -5.915 1.631 -4.817 1.00 . A A . 14 ILE H 1 1 7 6027 1 1 14 ILE HA H -7.293 1.718 -2.303 1.00 . A A . 14 ILE HA 1 1 7 6028 1 1 14 ILE HB H -5.020 3.371 -3.410 1.00 . A A . 14 ILE HB 1 1 7 6029 1 1 14 ILE HD11 H -2.816 0.929 -2.893 1.00 . A A . 14 ILE HD11 1 1 7 6030 1 1 14 ILE HD12 H -3.874 1.672 -4.092 1.00 . A A . 14 ILE HD12 1 1 7 6031 1 1 14 ILE HD13 H -4.274 0.091 -3.422 1.00 . A A . 14 ILE HD13 1 1 7 6032 1 1 14 ILE HG12 H -3.924 2.102 -1.369 1.00 . A A . 14 ILE HG12 1 1 7 6033 1 1 14 ILE HG13 H -5.253 0.976 -1.633 1.00 . A A . 14 ILE HG13 1 1 7 6034 1 1 14 ILE HG21 H -4.904 3.790 -0.741 1.00 . A A . 14 ILE HG21 1 1 7 6035 1 1 14 ILE HG22 H -6.649 3.747 -0.992 1.00 . A A . 14 ILE HG22 1 1 7 6036 1 1 14 ILE HG23 H -5.657 4.899 -1.886 1.00 . A A . 14 ILE HG23 1 1 7 6037 1 1 14 ILE N N -6.733 1.548 -4.283 1.00 . A A . 14 ILE N 1 1 7 6038 1 1 14 ILE O O -8.909 3.589 -2.741 1.00 . A A . 14 ILE O 1 1 7 6039 1 1 15 LEU C C -9.426 5.291 -5.249 1.00 . A A . 15 LEU C 1 1 7 6040 1 1 15 LEU CA C -8.181 5.653 -4.446 1.00 . A A . 15 LEU CA 1 1 7 6041 1 1 15 LEU CB C -7.340 6.675 -5.215 1.00 . A A . 15 LEU CB 1 1 7 6042 1 1 15 LEU CD1 C -5.287 8.110 -5.304 1.00 . A A . 15 LEU CD1 1 1 7 6043 1 1 15 LEU CD2 C -6.874 8.318 -3.382 1.00 . A A . 15 LEU CD2 1 1 7 6044 1 1 15 LEU CG C -6.252 7.367 -4.394 1.00 . A A . 15 LEU CG 1 1 7 6045 1 1 15 LEU H H -6.502 4.367 -4.558 1.00 . A A . 15 LEU H 1 1 7 6046 1 1 15 LEU HA H -8.489 6.091 -3.509 1.00 . A A . 15 LEU HA 1 1 7 6047 1 1 15 LEU HB2 H -6.870 6.170 -6.047 1.00 . A A . 15 LEU HB2 1 1 7 6048 1 1 15 LEU HB3 H -8.002 7.434 -5.605 1.00 . A A . 15 LEU HB3 1 1 7 6049 1 1 15 LEU HD11 H -5.819 8.886 -5.836 1.00 . A A . 15 LEU HD11 1 1 7 6050 1 1 15 LEU HD12 H -4.855 7.419 -6.012 1.00 . A A . 15 LEU HD12 1 1 7 6051 1 1 15 LEU HD13 H -4.502 8.555 -4.710 1.00 . A A . 15 LEU HD13 1 1 7 6052 1 1 15 LEU HD21 H -7.492 9.038 -3.898 1.00 . A A . 15 LEU HD21 1 1 7 6053 1 1 15 LEU HD22 H -6.093 8.834 -2.845 1.00 . A A . 15 LEU HD22 1 1 7 6054 1 1 15 LEU HD23 H -7.480 7.757 -2.686 1.00 . A A . 15 LEU HD23 1 1 7 6055 1 1 15 LEU HG H -5.691 6.621 -3.851 1.00 . A A . 15 LEU HG 1 1 7 6056 1 1 15 LEU N N -7.383 4.469 -4.142 1.00 . A A . 15 LEU N 1 1 7 6057 1 1 15 LEU O O -10.531 5.239 -4.709 1.00 . A A . 15 LEU O 1 1 7 6058 1 1 16 SER C C -11.166 3.537 -6.849 1.00 . A A . 16 SER C 1 1 7 6059 1 1 16 SER CA C -10.352 4.692 -7.424 1.00 . A A . 16 SER CA 1 1 7 6060 1 1 16 SER CB C -9.830 4.320 -8.812 1.00 . A A . 16 SER CB 1 1 7 6061 1 1 16 SER H H -8.337 5.105 -6.917 1.00 . A A . 16 SER H 1 1 7 6062 1 1 16 SER HA H -10.991 5.558 -7.511 1.00 . A A . 16 SER HA 1 1 7 6063 1 1 16 SER HB2 H -9.268 5.148 -9.218 1.00 . A A . 16 SER HB2 1 1 7 6064 1 1 16 SER HB3 H -9.188 3.455 -8.733 1.00 . A A . 16 SER HB3 1 1 7 6065 1 1 16 SER HG H -11.419 3.298 -9.332 1.00 . A A . 16 SER HG 1 1 7 6066 1 1 16 SER N N -9.241 5.045 -6.543 1.00 . A A . 16 SER N 1 1 7 6067 1 1 16 SER O O -12.366 3.671 -6.605 1.00 . A A . 16 SER O 1 1 7 6068 1 1 16 SER OG O -10.897 4.017 -9.695 1.00 . A A . 16 SER OG 1 1 7 6069 1 1 17 GLY C C -11.579 0.250 -7.169 1.00 . A A . 17 GLY C 1 1 7 6070 1 1 17 GLY CA C -11.187 1.243 -6.094 1.00 . A A . 17 GLY CA 1 1 7 6071 1 1 17 GLY H H -9.552 2.355 -6.850 1.00 . A A . 17 GLY H 1 1 7 6072 1 1 17 GLY HA2 H -10.532 0.754 -5.388 1.00 . A A . 17 GLY HA2 1 1 7 6073 1 1 17 GLY HA3 H -12.077 1.569 -5.577 1.00 . A A . 17 GLY HA3 1 1 7 6074 1 1 17 GLY N N -10.507 2.404 -6.636 1.00 . A A . 17 GLY N 1 1 7 6075 1 1 17 GLY O O -12.562 -0.478 -7.023 1.00 . A A . 17 GLY O 1 1 7 6076 1 1 18 ALA C C -11.051 -2.140 -8.893 1.00 . A A . 18 ALA C 1 1 7 6077 1 1 18 ALA CA C -11.080 -0.691 -9.357 1.00 . A A . 18 ALA CA 1 1 7 6078 1 1 18 ALA CB C -10.078 -0.470 -10.481 1.00 . A A . 18 ALA CB 1 1 7 6079 1 1 18 ALA H H -10.040 0.824 -8.309 1.00 . A A . 18 ALA H 1 1 7 6080 1 1 18 ALA HA H -12.060 -0.472 -9.736 1.00 . A A . 18 ALA HA 1 1 7 6081 1 1 18 ALA HB1 H -9.160 -0.074 -10.073 1.00 . A A . 18 ALA HB1 1 1 7 6082 1 1 18 ALA HB2 H -10.486 0.231 -11.195 1.00 . A A . 18 ALA HB2 1 1 7 6083 1 1 18 ALA HB3 H -9.877 -1.409 -10.974 1.00 . A A . 18 ALA HB3 1 1 7 6084 1 1 18 ALA N N -10.809 0.220 -8.252 1.00 . A A . 18 ALA N 1 1 7 6085 1 1 18 ALA O O -12.093 -2.761 -8.682 1.00 . A A . 18 ALA O 1 1 7 6086 1 1 19 LYS C C -8.184 -4.355 -8.089 1.00 . A A . 19 LYS C 1 1 7 6087 1 1 19 LYS CA C -9.664 -4.045 -8.298 1.00 . A A . 19 LYS CA 1 1 7 6088 1 1 19 LYS CB C -10.265 -5.019 -9.316 1.00 . A A . 19 LYS CB 1 1 7 6089 1 1 19 LYS CD C -8.647 -4.751 -11.222 1.00 . A A . 19 LYS CD 1 1 7 6090 1 1 19 LYS CE C -8.535 -4.695 -12.737 1.00 . A A . 19 LYS CE 1 1 7 6091 1 1 19 LYS CG C -10.086 -4.585 -10.763 1.00 . A A . 19 LYS CG 1 1 7 6092 1 1 19 LYS H H -9.067 -2.114 -8.925 1.00 . A A . 19 LYS H 1 1 7 6093 1 1 19 LYS HA H -10.179 -4.161 -7.356 1.00 . A A . 19 LYS HA 1 1 7 6094 1 1 19 LYS HB2 H -9.795 -5.984 -9.193 1.00 . A A . 19 LYS HB2 1 1 7 6095 1 1 19 LYS HB3 H -11.322 -5.118 -9.121 1.00 . A A . 19 LYS HB3 1 1 7 6096 1 1 19 LYS HD2 H -8.049 -3.958 -10.798 1.00 . A A . 19 LYS HD2 1 1 7 6097 1 1 19 LYS HD3 H -8.277 -5.706 -10.877 1.00 . A A . 19 LYS HD3 1 1 7 6098 1 1 19 LYS HE2 H -8.903 -5.624 -13.147 1.00 . A A . 19 LYS HE2 1 1 7 6099 1 1 19 LYS HE3 H -9.142 -3.878 -13.099 1.00 . A A . 19 LYS HE3 1 1 7 6100 1 1 19 LYS HG2 H -10.725 -5.187 -11.391 1.00 . A A . 19 LYS HG2 1 1 7 6101 1 1 19 LYS HG3 H -10.366 -3.545 -10.853 1.00 . A A . 19 LYS HG3 1 1 7 6102 1 1 19 LYS HZ1 H -6.862 -3.492 -13.078 1.00 . A A . 19 LYS HZ1 1 1 7 6103 1 1 19 LYS HZ2 H -7.028 -4.762 -14.182 1.00 . A A . 19 LYS HZ2 1 1 7 6104 1 1 19 LYS HZ3 H -6.485 -5.074 -12.611 1.00 . A A . 19 LYS HZ3 1 1 7 6105 1 1 19 LYS N N -9.849 -2.667 -8.738 1.00 . A A . 19 LYS N 1 1 7 6106 1 1 19 LYS NZ N -7.130 -4.492 -13.183 1.00 . A A . 19 LYS NZ 1 1 7 6107 1 1 19 LYS O O -7.318 -3.732 -8.703 1.00 . A A . 19 LYS O 1 1 7 6108 1 1 20 PRO C C -5.713 -6.061 -8.194 1.00 . A A . 20 PRO C 1 1 7 6109 1 1 20 PRO CA C -6.490 -5.718 -6.928 1.00 . A A . 20 PRO CA 1 1 7 6110 1 1 20 PRO CB C -6.642 -6.957 -6.042 1.00 . A A . 20 PRO CB 1 1 7 6111 1 1 20 PRO CD C -8.844 -6.122 -6.439 1.00 . A A . 20 PRO CD 1 1 7 6112 1 1 20 PRO CG C -7.987 -6.815 -5.418 1.00 . A A . 20 PRO CG 1 1 7 6113 1 1 20 PRO HA H -5.966 -4.945 -6.385 1.00 . A A . 20 PRO HA 1 1 7 6114 1 1 20 PRO HB2 H -6.579 -7.847 -6.650 1.00 . A A . 20 PRO HB2 1 1 7 6115 1 1 20 PRO HB3 H -5.861 -6.968 -5.296 1.00 . A A . 20 PRO HB3 1 1 7 6116 1 1 20 PRO HD2 H -9.342 -6.846 -7.068 1.00 . A A . 20 PRO HD2 1 1 7 6117 1 1 20 PRO HD3 H -9.566 -5.481 -5.954 1.00 . A A . 20 PRO HD3 1 1 7 6118 1 1 20 PRO HG2 H -8.390 -7.791 -5.189 1.00 . A A . 20 PRO HG2 1 1 7 6119 1 1 20 PRO HG3 H -7.915 -6.218 -4.521 1.00 . A A . 20 PRO HG3 1 1 7 6120 1 1 20 PRO N N -7.874 -5.328 -7.215 1.00 . A A . 20 PRO N 1 1 7 6121 1 1 20 PRO O O -6.238 -5.961 -9.303 1.00 . A A . 20 PRO O 1 1 7 6122 1 1 21 SER C C -2.273 -7.377 -8.670 1.00 . A A . 21 SER C 1 1 7 6123 1 1 21 SER CA C -3.611 -6.826 -9.150 1.00 . A A . 21 SER CA 1 1 7 6124 1 1 21 SER CB C -3.383 -5.610 -10.050 1.00 . A A . 21 SER CB 1 1 7 6125 1 1 21 SER H H -4.097 -6.528 -7.114 1.00 . A A . 21 SER H 1 1 7 6126 1 1 21 SER HA H -4.120 -7.591 -9.716 1.00 . A A . 21 SER HA 1 1 7 6127 1 1 21 SER HB2 H -3.430 -4.711 -9.455 1.00 . A A . 21 SER HB2 1 1 7 6128 1 1 21 SER HB3 H -2.409 -5.685 -10.512 1.00 . A A . 21 SER HB3 1 1 7 6129 1 1 21 SER HG H -4.084 -4.914 -11.742 1.00 . A A . 21 SER HG 1 1 7 6130 1 1 21 SER N N -4.460 -6.467 -8.021 1.00 . A A . 21 SER N 1 1 7 6131 1 1 21 SER O O -1.655 -6.828 -7.759 1.00 . A A . 21 SER O 1 1 7 6132 1 1 21 SER OG O -4.366 -5.536 -11.068 1.00 . A A . 21 SER OG 1 1 7 6133 1 1 22 GLY C C 0.595 -8.108 -9.021 1.00 . A A . 22 GLY C 1 1 7 6134 1 1 22 GLY CA C -0.568 -9.074 -8.913 1.00 . A A . 22 GLY CA 1 1 7 6135 1 1 22 GLY H H -2.366 -8.862 -10.010 1.00 . A A . 22 GLY H 1 1 7 6136 1 1 22 GLY HA2 H -0.639 -9.422 -7.893 1.00 . A A . 22 GLY HA2 1 1 7 6137 1 1 22 GLY HA3 H -0.381 -9.919 -9.558 1.00 . A A . 22 GLY HA3 1 1 7 6138 1 1 22 GLY N N -1.831 -8.467 -9.290 1.00 . A A . 22 GLY N 1 1 7 6139 1 1 22 GLY O O 1.599 -8.253 -8.324 1.00 . A A . 22 GLY O 1 1 7 6140 1 1 23 GLU C C 1.845 -5.417 -8.804 1.00 . A A . 23 GLU C 1 1 7 6141 1 1 23 GLU CA C 1.501 -6.133 -10.107 1.00 . A A . 23 GLU CA 1 1 7 6142 1 1 23 GLU CB C 1.034 -5.122 -11.150 1.00 . A A . 23 GLU CB 1 1 7 6143 1 1 23 GLU CD C 1.950 -2.977 -12.108 1.00 . A A . 23 GLU CD 1 1 7 6144 1 1 23 GLU CG C 2.173 -4.461 -11.887 1.00 . A A . 23 GLU CG 1 1 7 6145 1 1 23 GLU H H -0.353 -7.057 -10.434 1.00 . A A . 23 GLU H 1 1 7 6146 1 1 23 GLU HA H 2.380 -6.639 -10.475 1.00 . A A . 23 GLU HA 1 1 7 6147 1 1 23 GLU HB2 H 0.409 -5.629 -11.873 1.00 . A A . 23 GLU HB2 1 1 7 6148 1 1 23 GLU HB3 H 0.455 -4.353 -10.656 1.00 . A A . 23 GLU HB3 1 1 7 6149 1 1 23 GLU HG2 H 3.075 -4.596 -11.313 1.00 . A A . 23 GLU HG2 1 1 7 6150 1 1 23 GLU HG3 H 2.280 -4.944 -12.845 1.00 . A A . 23 GLU HG3 1 1 7 6151 1 1 23 GLU N N 0.463 -7.121 -9.901 1.00 . A A . 23 GLU N 1 1 7 6152 1 1 23 GLU O O 3.016 -5.269 -8.455 1.00 . A A . 23 GLU O 1 1 7 6153 1 1 23 GLU OE1 O 2.243 -2.189 -11.185 1.00 . A A . 23 GLU OE1 1 1 7 6154 1 1 23 GLU OE2 O 1.484 -2.604 -13.205 1.00 . A A . 23 GLU OE2 1 1 7 6155 1 1 24 CYS C C 1.854 -5.069 -5.860 1.00 . A A . 24 CYS C 1 1 7 6156 1 1 24 CYS CA C 1.003 -4.260 -6.831 1.00 . A A . 24 CYS CA 1 1 7 6157 1 1 24 CYS CB C -0.350 -3.931 -6.195 1.00 . A A . 24 CYS CB 1 1 7 6158 1 1 24 CYS H H -0.093 -5.110 -8.425 1.00 . A A . 24 CYS H 1 1 7 6159 1 1 24 CYS HA H 1.515 -3.344 -7.053 1.00 . A A . 24 CYS HA 1 1 7 6160 1 1 24 CYS HB2 H -0.925 -3.325 -6.880 1.00 . A A . 24 CYS HB2 1 1 7 6161 1 1 24 CYS HB3 H -0.883 -4.851 -6.003 1.00 . A A . 24 CYS HB3 1 1 7 6162 1 1 24 CYS N N 0.815 -4.968 -8.091 1.00 . A A . 24 CYS N 1 1 7 6163 1 1 24 CYS O O 2.561 -4.508 -5.023 1.00 . A A . 24 CYS O 1 1 7 6164 1 1 24 CYS SG S -0.230 -3.019 -4.620 1.00 . A A . 24 CYS SG 1 1 7 6165 1 1 25 CYS C C 4.036 -7.198 -5.445 1.00 . A A . 25 CYS C 1 1 7 6166 1 1 25 CYS CA C 2.551 -7.272 -5.110 1.00 . A A . 25 CYS CA 1 1 7 6167 1 1 25 CYS CB C 2.056 -8.714 -5.238 1.00 . A A . 25 CYS CB 1 1 7 6168 1 1 25 CYS H H 1.204 -6.771 -6.666 1.00 . A A . 25 CYS H 1 1 7 6169 1 1 25 CYS HA H 2.409 -6.942 -4.092 1.00 . A A . 25 CYS HA 1 1 7 6170 1 1 25 CYS HB2 H 1.604 -8.846 -6.209 1.00 . A A . 25 CYS HB2 1 1 7 6171 1 1 25 CYS HB3 H 2.896 -9.385 -5.144 1.00 . A A . 25 CYS HB3 1 1 7 6172 1 1 25 CYS N N 1.783 -6.386 -5.978 1.00 . A A . 25 CYS N 1 1 7 6173 1 1 25 CYS O O 4.864 -6.908 -4.583 1.00 . A A . 25 CYS O 1 1 7 6174 1 1 25 CYS SG S 0.820 -9.191 -3.986 1.00 . A A . 25 CYS SG 1 1 7 6175 1 1 26 GLY C C 6.398 -6.068 -6.845 1.00 . A A . 26 GLY C 1 1 7 6176 1 1 26 GLY CA C 5.751 -7.409 -7.132 1.00 . A A . 26 GLY CA 1 1 7 6177 1 1 26 GLY H H 3.663 -7.679 -7.352 1.00 . A A . 26 GLY H 1 1 7 6178 1 1 26 GLY HA2 H 6.302 -8.181 -6.614 1.00 . A A . 26 GLY HA2 1 1 7 6179 1 1 26 GLY HA3 H 5.797 -7.599 -8.194 1.00 . A A . 26 GLY HA3 1 1 7 6180 1 1 26 GLY N N 4.366 -7.457 -6.706 1.00 . A A . 26 GLY N 1 1 7 6181 1 1 26 GLY O O 7.601 -5.992 -6.596 1.00 . A A . 26 GLY O 1 1 7 6182 1 1 27 ASN C C 6.456 -3.493 -5.166 1.00 . A A . 27 ASN C 1 1 7 6183 1 1 27 ASN CA C 6.093 -3.669 -6.627 1.00 . A A . 27 ASN CA 1 1 7 6184 1 1 27 ASN CB C 5.054 -2.626 -7.041 1.00 . A A . 27 ASN CB 1 1 7 6185 1 1 27 ASN CG C 4.797 -2.627 -8.534 1.00 . A A . 27 ASN CG 1 1 7 6186 1 1 27 ASN H H 4.653 -5.127 -7.087 1.00 . A A . 27 ASN H 1 1 7 6187 1 1 27 ASN HA H 6.972 -3.539 -7.212 1.00 . A A . 27 ASN HA 1 1 7 6188 1 1 27 ASN HB2 H 4.123 -2.834 -6.534 1.00 . A A . 27 ASN HB2 1 1 7 6189 1 1 27 ASN HB3 H 5.403 -1.645 -6.754 1.00 . A A . 27 ASN HB3 1 1 7 6190 1 1 27 ASN HD21 H 6.667 -2.050 -8.882 1.00 . A A . 27 ASN HD21 1 1 7 6191 1 1 27 ASN HD22 H 5.679 -2.275 -10.281 1.00 . A A . 27 ASN HD22 1 1 7 6192 1 1 27 ASN N N 5.597 -5.007 -6.882 1.00 . A A . 27 ASN N 1 1 7 6193 1 1 27 ASN ND2 N 5.817 -2.283 -9.311 1.00 . A A . 27 ASN ND2 1 1 7 6194 1 1 27 ASN O O 7.624 -3.318 -4.818 1.00 . A A . 27 ASN O 1 1 7 6195 1 1 27 ASN OD1 O 3.693 -2.935 -8.986 1.00 . A A . 27 ASN OD1 1 1 7 6196 1 1 28 LEU C C 6.717 -4.373 -2.391 1.00 . A A . 28 LEU C 1 1 7 6197 1 1 28 LEU CA C 5.656 -3.394 -2.884 1.00 . A A . 28 LEU CA 1 1 7 6198 1 1 28 LEU CB C 4.347 -3.593 -2.117 1.00 . A A . 28 LEU CB 1 1 7 6199 1 1 28 LEU CD1 C 4.261 -5.833 -1.002 1.00 . A A . 28 LEU CD1 1 1 7 6200 1 1 28 LEU CD2 C 2.251 -4.959 -2.207 1.00 . A A . 28 LEU CD2 1 1 7 6201 1 1 28 LEU CG C 3.772 -5.004 -2.178 1.00 . A A . 28 LEU CG 1 1 7 6202 1 1 28 LEU H H 4.548 -3.687 -4.661 1.00 . A A . 28 LEU H 1 1 7 6203 1 1 28 LEU HA H 6.005 -2.396 -2.718 1.00 . A A . 28 LEU HA 1 1 7 6204 1 1 28 LEU HB2 H 4.521 -3.342 -1.080 1.00 . A A . 28 LEU HB2 1 1 7 6205 1 1 28 LEU HB3 H 3.613 -2.911 -2.517 1.00 . A A . 28 LEU HB3 1 1 7 6206 1 1 28 LEU HD11 H 3.603 -5.684 -0.159 1.00 . A A . 28 LEU HD11 1 1 7 6207 1 1 28 LEU HD12 H 5.262 -5.527 -0.736 1.00 . A A . 28 LEU HD12 1 1 7 6208 1 1 28 LEU HD13 H 4.264 -6.876 -1.275 1.00 . A A . 28 LEU HD13 1 1 7 6209 1 1 28 LEU HD21 H 1.868 -5.923 -2.507 1.00 . A A . 28 LEU HD21 1 1 7 6210 1 1 28 LEU HD22 H 1.926 -4.208 -2.911 1.00 . A A . 28 LEU HD22 1 1 7 6211 1 1 28 LEU HD23 H 1.880 -4.715 -1.223 1.00 . A A . 28 LEU HD23 1 1 7 6212 1 1 28 LEU HG H 4.112 -5.478 -3.084 1.00 . A A . 28 LEU HG 1 1 7 6213 1 1 28 LEU N N 5.448 -3.544 -4.315 1.00 . A A . 28 LEU N 1 1 7 6214 1 1 28 LEU O O 7.386 -4.130 -1.387 1.00 . A A . 28 LEU O 1 1 7 6215 1 1 29 ARG C C 9.243 -5.906 -2.733 1.00 . A A . 29 ARG C 1 1 7 6216 1 1 29 ARG CA C 7.846 -6.492 -2.769 1.00 . A A . 29 ARG CA 1 1 7 6217 1 1 29 ARG CB C 7.779 -7.647 -3.769 1.00 . A A . 29 ARG CB 1 1 7 6218 1 1 29 ARG CD C 5.810 -8.633 -2.529 1.00 . A A . 29 ARG CD 1 1 7 6219 1 1 29 ARG CG C 7.137 -8.911 -3.220 1.00 . A A . 29 ARG CG 1 1 7 6220 1 1 29 ARG CZ C 5.023 -10.833 -1.745 1.00 . A A . 29 ARG CZ 1 1 7 6221 1 1 29 ARG H H 6.310 -5.616 -3.900 1.00 . A A . 29 ARG H 1 1 7 6222 1 1 29 ARG HA H 7.608 -6.849 -1.795 1.00 . A A . 29 ARG HA 1 1 7 6223 1 1 29 ARG HB2 H 7.208 -7.328 -4.629 1.00 . A A . 29 ARG HB2 1 1 7 6224 1 1 29 ARG HB3 H 8.782 -7.891 -4.088 1.00 . A A . 29 ARG HB3 1 1 7 6225 1 1 29 ARG HD2 H 5.850 -7.655 -2.076 1.00 . A A . 29 ARG HD2 1 1 7 6226 1 1 29 ARG HD3 H 5.023 -8.656 -3.267 1.00 . A A . 29 ARG HD3 1 1 7 6227 1 1 29 ARG HE H 5.700 -9.373 -0.565 1.00 . A A . 29 ARG HE 1 1 7 6228 1 1 29 ARG HG2 H 6.963 -9.591 -4.038 1.00 . A A . 29 ARG HG2 1 1 7 6229 1 1 29 ARG HG3 H 7.813 -9.364 -2.513 1.00 . A A . 29 ARG HG3 1 1 7 6230 1 1 29 ARG HH11 H 4.944 -10.582 -3.751 1.00 . A A . 29 ARG HH11 1 1 7 6231 1 1 29 ARG HH12 H 4.395 -12.119 -3.173 1.00 . A A . 29 ARG HH12 1 1 7 6232 1 1 29 ARG HH21 H 4.979 -11.395 0.196 1.00 . A A . 29 ARG HH21 1 1 7 6233 1 1 29 ARG HH22 H 4.414 -12.581 -0.933 1.00 . A A . 29 ARG HH22 1 1 7 6234 1 1 29 ARG N N 6.869 -5.479 -3.114 1.00 . A A . 29 ARG N 1 1 7 6235 1 1 29 ARG NE N 5.518 -9.623 -1.495 1.00 . A A . 29 ARG NE 1 1 7 6236 1 1 29 ARG NH1 N 4.766 -11.208 -2.992 1.00 . A A . 29 ARG NH1 1 1 7 6237 1 1 29 ARG NH2 N 4.786 -11.672 -0.746 1.00 . A A . 29 ARG NH2 1 1 7 6238 1 1 29 ARG O O 10.014 -6.160 -1.808 1.00 . A A . 29 ARG O 1 1 7 6239 1 1 30 ALA C C 11.161 -3.731 -2.509 1.00 . A A . 30 ALA C 1 1 7 6240 1 1 30 ALA CA C 10.860 -4.469 -3.809 1.00 . A A . 30 ALA CA 1 1 7 6241 1 1 30 ALA CB C 10.921 -3.514 -4.992 1.00 . A A . 30 ALA CB 1 1 7 6242 1 1 30 ALA H H 8.897 -4.935 -4.436 1.00 . A A . 30 ALA H 1 1 7 6243 1 1 30 ALA HA H 11.595 -5.238 -3.955 1.00 . A A . 30 ALA HA 1 1 7 6244 1 1 30 ALA HB1 H 10.747 -2.505 -4.649 1.00 . A A . 30 ALA HB1 1 1 7 6245 1 1 30 ALA HB2 H 10.163 -3.786 -5.712 1.00 . A A . 30 ALA HB2 1 1 7 6246 1 1 30 ALA HB3 H 11.895 -3.575 -5.454 1.00 . A A . 30 ALA HB3 1 1 7 6247 1 1 30 ALA N N 9.558 -5.106 -3.737 1.00 . A A . 30 ALA N 1 1 7 6248 1 1 30 ALA O O 12.320 -3.541 -2.138 1.00 . A A . 30 ALA O 1 1 7 6249 1 1 31 GLN C C 10.464 -3.596 0.594 1.00 . A A . 31 GLN C 1 1 7 6250 1 1 31 GLN CA C 10.224 -2.621 -0.551 1.00 . A A . 31 GLN CA 1 1 7 6251 1 1 31 GLN CB C 8.975 -1.775 -0.279 1.00 . A A . 31 GLN CB 1 1 7 6252 1 1 31 GLN CD C 7.643 0.084 -1.340 1.00 . A A . 31 GLN CD 1 1 7 6253 1 1 31 GLN CG C 8.297 -1.267 -1.539 1.00 . A A . 31 GLN CG 1 1 7 6254 1 1 31 GLN H H 9.202 -3.528 -2.168 1.00 . A A . 31 GLN H 1 1 7 6255 1 1 31 GLN HA H 11.077 -1.965 -0.621 1.00 . A A . 31 GLN HA 1 1 7 6256 1 1 31 GLN HB2 H 8.262 -2.369 0.272 1.00 . A A . 31 GLN HB2 1 1 7 6257 1 1 31 GLN HB3 H 9.256 -0.920 0.319 1.00 . A A . 31 GLN HB3 1 1 7 6258 1 1 31 GLN HE21 H 9.227 0.986 -2.135 1.00 . A A . 31 GLN HE21 1 1 7 6259 1 1 31 GLN HE22 H 7.938 2.028 -1.622 1.00 . A A . 31 GLN HE22 1 1 7 6260 1 1 31 GLN HG2 H 9.036 -1.180 -2.320 1.00 . A A . 31 GLN HG2 1 1 7 6261 1 1 31 GLN HG3 H 7.543 -1.976 -1.836 1.00 . A A . 31 GLN HG3 1 1 7 6262 1 1 31 GLN N N 10.099 -3.329 -1.819 1.00 . A A . 31 GLN N 1 1 7 6263 1 1 31 GLN NE2 N 8.339 1.139 -1.739 1.00 . A A . 31 GLN NE2 1 1 7 6264 1 1 31 GLN O O 11.561 -3.665 1.147 1.00 . A A . 31 GLN O 1 1 7 6265 1 1 31 GLN OE1 O 6.525 0.178 -0.834 1.00 . A A . 31 GLN OE1 1 1 7 6266 1 1 32 GLN C C 10.065 -4.704 3.302 1.00 . A A . 32 GLN C 1 1 7 6267 1 1 32 GLN CA C 9.509 -5.325 2.022 1.00 . A A . 32 GLN CA 1 1 7 6268 1 1 32 GLN CB C 10.368 -6.495 1.580 1.00 . A A . 32 GLN CB 1 1 7 6269 1 1 32 GLN CD C 9.440 -8.708 0.798 1.00 . A A . 32 GLN CD 1 1 7 6270 1 1 32 GLN CG C 9.798 -7.840 1.988 1.00 . A A . 32 GLN CG 1 1 7 6271 1 1 32 GLN H H 8.581 -4.253 0.463 1.00 . A A . 32 GLN H 1 1 7 6272 1 1 32 GLN HA H 8.513 -5.686 2.221 1.00 . A A . 32 GLN HA 1 1 7 6273 1 1 32 GLN HB2 H 10.447 -6.469 0.503 1.00 . A A . 32 GLN HB2 1 1 7 6274 1 1 32 GLN HB3 H 11.350 -6.392 2.012 1.00 . A A . 32 GLN HB3 1 1 7 6275 1 1 32 GLN HE21 H 7.823 -7.605 0.454 1.00 . A A . 32 GLN HE21 1 1 7 6276 1 1 32 GLN HE22 H 8.078 -8.924 -0.632 1.00 . A A . 32 GLN HE22 1 1 7 6277 1 1 32 GLN HG2 H 10.526 -8.360 2.590 1.00 . A A . 32 GLN HG2 1 1 7 6278 1 1 32 GLN HG3 H 8.904 -7.668 2.569 1.00 . A A . 32 GLN HG3 1 1 7 6279 1 1 32 GLN N N 9.424 -4.351 0.945 1.00 . A A . 32 GLN N 1 1 7 6280 1 1 32 GLN NE2 N 8.336 -8.379 0.140 1.00 . A A . 32 GLN NE2 1 1 7 6281 1 1 32 GLN O O 10.510 -5.411 4.207 1.00 . A A . 32 GLN O 1 1 7 6282 1 1 32 GLN OE1 O 10.148 -9.663 0.476 1.00 . A A . 32 GLN OE1 1 1 7 6283 1 1 33 GLY C C 10.429 -1.170 4.369 1.00 . A A . 33 GLY C 1 1 7 6284 1 1 33 GLY CA C 10.520 -2.673 4.536 1.00 . A A . 33 GLY CA 1 1 7 6285 1 1 33 GLY H H 9.660 -2.874 2.617 1.00 . A A . 33 GLY H 1 1 7 6286 1 1 33 GLY HA2 H 9.936 -2.967 5.396 1.00 . A A . 33 GLY HA2 1 1 7 6287 1 1 33 GLY HA3 H 11.551 -2.945 4.703 1.00 . A A . 33 GLY HA3 1 1 7 6288 1 1 33 GLY N N 10.028 -3.379 3.369 1.00 . A A . 33 GLY N 1 1 7 6289 1 1 33 GLY O O 11.227 -0.424 4.937 1.00 . A A . 33 GLY O 1 1 7 6290 1 1 34 CYS C C 7.796 1.061 3.344 1.00 . A A . 34 CYS C 1 1 7 6291 1 1 34 CYS CA C 9.270 0.682 3.313 1.00 . A A . 34 CYS CA 1 1 7 6292 1 1 34 CYS CB C 9.853 1.028 1.959 1.00 . A A . 34 CYS CB 1 1 7 6293 1 1 34 CYS H H 8.874 -1.356 3.145 1.00 . A A . 34 CYS H 1 1 7 6294 1 1 34 CYS HA H 9.783 1.216 4.060 1.00 . A A . 34 CYS HA 1 1 7 6295 1 1 34 CYS HB2 H 10.701 0.390 1.771 1.00 . A A . 34 CYS HB2 1 1 7 6296 1 1 34 CYS HB3 H 9.100 0.845 1.219 1.00 . A A . 34 CYS HB3 1 1 7 6297 1 1 34 CYS N N 9.460 -0.725 3.573 1.00 . A A . 34 CYS N 1 1 7 6298 1 1 34 CYS O O 7.433 2.162 3.759 1.00 . A A . 34 CYS O 1 1 7 6299 1 1 34 CYS SG S 10.385 2.762 1.778 1.00 . A A . 34 CYS SG 1 1 7 6300 1 1 35 PHE C C 4.987 0.855 4.188 1.00 . A A . 35 PHE C 1 1 7 6301 1 1 35 PHE CA C 5.511 0.383 2.842 1.00 . A A . 35 PHE CA 1 1 7 6302 1 1 35 PHE CB C 4.740 -0.874 2.412 1.00 . A A . 35 PHE CB 1 1 7 6303 1 1 35 PHE CD1 C 5.255 -2.694 4.067 1.00 . A A . 35 PHE CD1 1 1 7 6304 1 1 35 PHE CD2 C 6.049 -2.954 1.832 1.00 . A A . 35 PHE CD2 1 1 7 6305 1 1 35 PHE CE1 C 5.806 -3.914 4.408 1.00 . A A . 35 PHE CE1 1 1 7 6306 1 1 35 PHE CE2 C 6.595 -4.176 2.169 1.00 . A A . 35 PHE CE2 1 1 7 6307 1 1 35 PHE CG C 5.372 -2.194 2.779 1.00 . A A . 35 PHE CG 1 1 7 6308 1 1 35 PHE CZ C 6.476 -4.656 3.458 1.00 . A A . 35 PHE CZ 1 1 7 6309 1 1 35 PHE H H 7.308 -0.703 2.562 1.00 . A A . 35 PHE H 1 1 7 6310 1 1 35 PHE HA H 5.335 1.159 2.122 1.00 . A A . 35 PHE HA 1 1 7 6311 1 1 35 PHE HB2 H 3.773 -0.850 2.885 1.00 . A A . 35 PHE HB2 1 1 7 6312 1 1 35 PHE HB3 H 4.609 -0.854 1.341 1.00 . A A . 35 PHE HB3 1 1 7 6313 1 1 35 PHE HD1 H 4.729 -2.118 4.813 1.00 . A A . 35 PHE HD1 1 1 7 6314 1 1 35 PHE HD2 H 6.155 -2.585 0.823 1.00 . A A . 35 PHE HD2 1 1 7 6315 1 1 35 PHE HE1 H 5.711 -4.288 5.416 1.00 . A A . 35 PHE HE1 1 1 7 6316 1 1 35 PHE HE2 H 7.112 -4.758 1.424 1.00 . A A . 35 PHE HE2 1 1 7 6317 1 1 35 PHE HZ H 6.904 -5.612 3.720 1.00 . A A . 35 PHE HZ 1 1 7 6318 1 1 35 PHE N N 6.951 0.145 2.886 1.00 . A A . 35 PHE N 1 1 7 6319 1 1 35 PHE O O 4.276 1.855 4.285 1.00 . A A . 35 PHE O 1 1 7 6320 1 1 36 CYS C C 5.246 1.861 6.949 1.00 . A A . 36 CYS C 1 1 7 6321 1 1 36 CYS CA C 4.924 0.416 6.578 1.00 . A A . 36 CYS CA 1 1 7 6322 1 1 36 CYS CB C 5.602 -0.538 7.564 1.00 . A A . 36 CYS CB 1 1 7 6323 1 1 36 CYS H H 5.906 -0.663 5.042 1.00 . A A . 36 CYS H 1 1 7 6324 1 1 36 CYS HA H 3.855 0.275 6.633 1.00 . A A . 36 CYS HA 1 1 7 6325 1 1 36 CYS HB2 H 5.973 -1.397 7.025 1.00 . A A . 36 CYS HB2 1 1 7 6326 1 1 36 CYS HB3 H 6.431 -0.030 8.035 1.00 . A A . 36 CYS HB3 1 1 7 6327 1 1 36 CYS N N 5.345 0.115 5.213 1.00 . A A . 36 CYS N 1 1 7 6328 1 1 36 CYS O O 4.443 2.543 7.585 1.00 . A A . 36 CYS O 1 1 7 6329 1 1 36 CYS SG S 4.502 -1.147 8.884 1.00 . A A . 36 CYS SG 1 1 7 6330 1 1 37 GLN C C 5.845 4.701 6.357 1.00 . A A . 37 GLN C 1 1 7 6331 1 1 37 GLN CA C 6.862 3.678 6.848 1.00 . A A . 37 GLN CA 1 1 7 6332 1 1 37 GLN CB C 8.224 3.952 6.211 1.00 . A A . 37 GLN CB 1 1 7 6333 1 1 37 GLN CD C 10.654 3.290 6.040 1.00 . A A . 37 GLN CD 1 1 7 6334 1 1 37 GLN CG C 9.342 3.090 6.772 1.00 . A A . 37 GLN CG 1 1 7 6335 1 1 37 GLN H H 7.026 1.726 6.056 1.00 . A A . 37 GLN H 1 1 7 6336 1 1 37 GLN HA H 6.951 3.763 7.913 1.00 . A A . 37 GLN HA 1 1 7 6337 1 1 37 GLN HB2 H 8.154 3.770 5.150 1.00 . A A . 37 GLN HB2 1 1 7 6338 1 1 37 GLN HB3 H 8.481 4.988 6.374 1.00 . A A . 37 GLN HB3 1 1 7 6339 1 1 37 GLN HE21 H 9.734 3.092 4.288 1.00 . A A . 37 GLN HE21 1 1 7 6340 1 1 37 GLN HE22 H 11.437 3.372 4.215 1.00 . A A . 37 GLN HE22 1 1 7 6341 1 1 37 GLN HG2 H 9.487 3.341 7.812 1.00 . A A . 37 GLN HG2 1 1 7 6342 1 1 37 GLN HG3 H 9.055 2.052 6.690 1.00 . A A . 37 GLN HG3 1 1 7 6343 1 1 37 GLN N N 6.429 2.318 6.553 1.00 . A A . 37 GLN N 1 1 7 6344 1 1 37 GLN NE2 N 10.604 3.248 4.714 1.00 . A A . 37 GLN NE2 1 1 7 6345 1 1 37 GLN O O 5.709 5.783 6.929 1.00 . A A . 37 GLN O 1 1 7 6346 1 1 37 GLN OE1 O 11.701 3.480 6.659 1.00 . A A . 37 GLN OE1 1 1 7 6347 1 1 38 TYR C C 2.829 5.182 5.520 1.00 . A A . 38 TYR C 1 1 7 6348 1 1 38 TYR CA C 4.128 5.233 4.719 1.00 . A A . 38 TYR CA 1 1 7 6349 1 1 38 TYR CB C 3.861 4.849 3.262 1.00 . A A . 38 TYR CB 1 1 7 6350 1 1 38 TYR CD1 C 5.320 6.499 2.030 1.00 . A A . 38 TYR CD1 1 1 7 6351 1 1 38 TYR CD2 C 5.773 4.174 1.758 1.00 . A A . 38 TYR CD2 1 1 7 6352 1 1 38 TYR CE1 C 6.367 6.806 1.181 1.00 . A A . 38 TYR CE1 1 1 7 6353 1 1 38 TYR CE2 C 6.822 4.474 0.909 1.00 . A A . 38 TYR CE2 1 1 7 6354 1 1 38 TYR CG C 5.006 5.180 2.332 1.00 . A A . 38 TYR CG 1 1 7 6355 1 1 38 TYR CZ C 7.114 5.791 0.624 1.00 . A A . 38 TYR CZ 1 1 7 6356 1 1 38 TYR H H 5.294 3.474 4.888 1.00 . A A . 38 TYR H 1 1 7 6357 1 1 38 TYR HA H 4.515 6.241 4.749 1.00 . A A . 38 TYR HA 1 1 7 6358 1 1 38 TYR HB2 H 3.684 3.785 3.205 1.00 . A A . 38 TYR HB2 1 1 7 6359 1 1 38 TYR HB3 H 2.984 5.375 2.913 1.00 . A A . 38 TYR HB3 1 1 7 6360 1 1 38 TYR HD1 H 4.733 7.292 2.468 1.00 . A A . 38 TYR HD1 1 1 7 6361 1 1 38 TYR HD2 H 5.541 3.144 1.983 1.00 . A A . 38 TYR HD2 1 1 7 6362 1 1 38 TYR HE1 H 6.596 7.838 0.959 1.00 . A A . 38 TYR HE1 1 1 7 6363 1 1 38 TYR HE2 H 7.407 3.678 0.473 1.00 . A A . 38 TYR HE2 1 1 7 6364 1 1 38 TYR HH H 7.902 6.815 -0.799 1.00 . A A . 38 TYR HH 1 1 7 6365 1 1 38 TYR N N 5.135 4.350 5.295 1.00 . A A . 38 TYR N 1 1 7 6366 1 1 38 TYR O O 2.023 6.110 5.473 1.00 . A A . 38 TYR O 1 1 7 6367 1 1 38 TYR OH O 8.157 6.093 -0.221 1.00 . A A . 38 TYR OH 1 1 7 6368 1 1 39 ALA C C 1.245 5.049 8.057 1.00 . A A . 39 ALA C 1 1 7 6369 1 1 39 ALA CA C 1.436 3.909 7.060 1.00 . A A . 39 ALA CA 1 1 7 6370 1 1 39 ALA CB C 1.493 2.577 7.789 1.00 . A A . 39 ALA CB 1 1 7 6371 1 1 39 ALA H H 3.307 3.383 6.245 1.00 . A A . 39 ALA H 1 1 7 6372 1 1 39 ALA HA H 0.595 3.886 6.392 1.00 . A A . 39 ALA HA 1 1 7 6373 1 1 39 ALA HB1 H 2.319 2.582 8.485 1.00 . A A . 39 ALA HB1 1 1 7 6374 1 1 39 ALA HB2 H 1.630 1.780 7.074 1.00 . A A . 39 ALA HB2 1 1 7 6375 1 1 39 ALA HB3 H 0.570 2.422 8.328 1.00 . A A . 39 ALA HB3 1 1 7 6376 1 1 39 ALA N N 2.633 4.089 6.252 1.00 . A A . 39 ALA N 1 1 7 6377 1 1 39 ALA O O 0.145 5.257 8.569 1.00 . A A . 39 ALA O 1 1 7 6378 1 1 40 LYS C C 2.372 8.240 8.560 1.00 . A A . 40 LYS C 1 1 7 6379 1 1 40 LYS CA C 2.257 6.896 9.277 1.00 . A A . 40 LYS CA 1 1 7 6380 1 1 40 LYS CB C 3.368 6.768 10.321 1.00 . A A . 40 LYS CB 1 1 7 6381 1 1 40 LYS CD C 1.926 6.828 12.378 1.00 . A A . 40 LYS CD 1 1 7 6382 1 1 40 LYS CE C 0.615 7.571 12.178 1.00 . A A . 40 LYS CE 1 1 7 6383 1 1 40 LYS CG C 3.065 7.493 11.622 1.00 . A A . 40 LYS CG 1 1 7 6384 1 1 40 LYS H H 3.168 5.571 7.900 1.00 . A A . 40 LYS H 1 1 7 6385 1 1 40 LYS HA H 1.302 6.852 9.778 1.00 . A A . 40 LYS HA 1 1 7 6386 1 1 40 LYS HB2 H 3.518 5.722 10.543 1.00 . A A . 40 LYS HB2 1 1 7 6387 1 1 40 LYS HB3 H 4.281 7.175 9.911 1.00 . A A . 40 LYS HB3 1 1 7 6388 1 1 40 LYS HD2 H 1.813 5.816 12.021 1.00 . A A . 40 LYS HD2 1 1 7 6389 1 1 40 LYS HD3 H 2.166 6.815 13.432 1.00 . A A . 40 LYS HD3 1 1 7 6390 1 1 40 LYS HE2 H 0.832 8.609 11.973 1.00 . A A . 40 LYS HE2 1 1 7 6391 1 1 40 LYS HE3 H 0.097 7.139 11.335 1.00 . A A . 40 LYS HE3 1 1 7 6392 1 1 40 LYS HG2 H 3.949 7.484 12.242 1.00 . A A . 40 LYS HG2 1 1 7 6393 1 1 40 LYS HG3 H 2.791 8.514 11.399 1.00 . A A . 40 LYS HG3 1 1 7 6394 1 1 40 LYS HZ1 H -0.702 6.547 13.436 1.00 . A A . 40 LYS HZ1 1 1 7 6395 1 1 40 LYS HZ2 H -1.010 8.207 13.327 1.00 . A A . 40 LYS HZ2 1 1 7 6396 1 1 40 LYS HZ3 H 0.299 7.649 14.242 1.00 . A A . 40 LYS HZ3 1 1 7 6397 1 1 40 LYS N N 2.318 5.783 8.335 1.00 . A A . 40 LYS N 1 1 7 6398 1 1 40 LYS NZ N -0.261 7.488 13.380 1.00 . A A . 40 LYS NZ 1 1 7 6399 1 1 40 LYS O O 2.504 9.283 9.200 1.00 . A A . 40 LYS O 1 1 7 6400 1 1 41 ASP C C 1.071 10.157 6.403 1.00 . A A . 41 ASP C 1 1 7 6401 1 1 41 ASP CA C 2.416 9.428 6.438 1.00 . A A . 41 ASP CA 1 1 7 6402 1 1 41 ASP CB C 2.878 9.088 5.018 1.00 . A A . 41 ASP CB 1 1 7 6403 1 1 41 ASP CG C 2.905 10.299 4.105 1.00 . A A . 41 ASP CG 1 1 7 6404 1 1 41 ASP H H 2.212 7.351 6.774 1.00 . A A . 41 ASP H 1 1 7 6405 1 1 41 ASP HA H 3.151 10.067 6.902 1.00 . A A . 41 ASP HA 1 1 7 6406 1 1 41 ASP HB2 H 3.876 8.674 5.063 1.00 . A A . 41 ASP HB2 1 1 7 6407 1 1 41 ASP HB3 H 2.205 8.353 4.597 1.00 . A A . 41 ASP HB3 1 1 7 6408 1 1 41 ASP N N 2.320 8.210 7.232 1.00 . A A . 41 ASP N 1 1 7 6409 1 1 41 ASP O O 0.035 9.546 6.140 1.00 . A A . 41 ASP O 1 1 7 6410 1 1 41 ASP OD1 O 1.834 10.904 3.887 1.00 . A A . 41 ASP OD1 1 1 7 6411 1 1 41 ASP OD2 O 3.998 10.643 3.608 1.00 . A A . 41 ASP OD2 1 1 7 6412 1 1 42 PRO C C -0.806 12.384 5.299 1.00 . A A . 42 PRO C 1 1 7 6413 1 1 42 PRO CA C -0.165 12.275 6.681 1.00 . A A . 42 PRO CA 1 1 7 6414 1 1 42 PRO CB C 0.295 13.653 7.167 1.00 . A A . 42 PRO CB 1 1 7 6415 1 1 42 PRO CD C 2.253 12.285 7.009 1.00 . A A . 42 PRO CD 1 1 7 6416 1 1 42 PRO CG C 1.758 13.699 6.889 1.00 . A A . 42 PRO CG 1 1 7 6417 1 1 42 PRO HA H -0.889 11.872 7.374 1.00 . A A . 42 PRO HA 1 1 7 6418 1 1 42 PRO HB2 H -0.234 14.423 6.624 1.00 . A A . 42 PRO HB2 1 1 7 6419 1 1 42 PRO HB3 H 0.092 13.749 8.224 1.00 . A A . 42 PRO HB3 1 1 7 6420 1 1 42 PRO HD2 H 3.052 12.104 6.306 1.00 . A A . 42 PRO HD2 1 1 7 6421 1 1 42 PRO HD3 H 2.583 12.086 8.018 1.00 . A A . 42 PRO HD3 1 1 7 6422 1 1 42 PRO HG2 H 1.932 14.074 5.892 1.00 . A A . 42 PRO HG2 1 1 7 6423 1 1 42 PRO HG3 H 2.248 14.329 7.617 1.00 . A A . 42 PRO HG3 1 1 7 6424 1 1 42 PRO N N 1.066 11.475 6.676 1.00 . A A . 42 PRO N 1 1 7 6425 1 1 42 PRO O O -1.957 11.992 5.107 1.00 . A A . 42 PRO O 1 1 7 6426 1 1 43 THR C C -1.084 11.776 2.414 1.00 . A A . 43 THR C 1 1 7 6427 1 1 43 THR CA C -0.560 13.094 2.980 1.00 . A A . 43 THR CA 1 1 7 6428 1 1 43 THR CB C 0.542 13.648 2.075 1.00 . A A . 43 THR CB 1 1 7 6429 1 1 43 THR CG2 C 0.529 15.158 1.975 1.00 . A A . 43 THR CG2 1 1 7 6430 1 1 43 THR H H 0.849 13.225 4.555 1.00 . A A . 43 THR H 1 1 7 6431 1 1 43 THR HA H -1.373 13.803 3.013 1.00 . A A . 43 THR HA 1 1 7 6432 1 1 43 THR HB H 0.411 13.250 1.079 1.00 . A A . 43 THR HB 1 1 7 6433 1 1 43 THR HG1 H 2.056 12.410 2.165 1.00 . A A . 43 THR HG1 1 1 7 6434 1 1 43 THR HG21 H 1.396 15.490 1.423 1.00 . A A . 43 THR HG21 1 1 7 6435 1 1 43 THR HG22 H 0.550 15.585 2.967 1.00 . A A . 43 THR HG22 1 1 7 6436 1 1 43 THR HG23 H -0.367 15.478 1.464 1.00 . A A . 43 THR HG23 1 1 7 6437 1 1 43 THR N N -0.059 12.926 4.342 1.00 . A A . 43 THR N 1 1 7 6438 1 1 43 THR O O -1.960 11.767 1.549 1.00 . A A . 43 THR O 1 1 7 6439 1 1 43 THR OG1 O 1.820 13.259 2.545 1.00 . A A . 43 THR OG1 1 1 7 6440 1 1 44 TYR C C -1.981 8.724 3.390 1.00 . A A . 44 TYR C 1 1 7 6441 1 1 44 TYR CA C -0.957 9.346 2.442 1.00 . A A . 44 TYR CA 1 1 7 6442 1 1 44 TYR CB C 0.259 8.427 2.318 1.00 . A A . 44 TYR CB 1 1 7 6443 1 1 44 TYR CD1 C 1.141 9.902 0.458 1.00 . A A . 44 TYR CD1 1 1 7 6444 1 1 44 TYR CD2 C 1.791 7.608 0.484 1.00 . A A . 44 TYR CD2 1 1 7 6445 1 1 44 TYR CE1 C 1.890 10.106 -0.685 1.00 . A A . 44 TYR CE1 1 1 7 6446 1 1 44 TYR CE2 C 2.543 7.805 -0.659 1.00 . A A . 44 TYR CE2 1 1 7 6447 1 1 44 TYR CG C 1.078 8.651 1.063 1.00 . A A . 44 TYR CG 1 1 7 6448 1 1 44 TYR CZ C 2.588 9.055 -1.239 1.00 . A A . 44 TYR CZ 1 1 7 6449 1 1 44 TYR H H 0.154 10.735 3.590 1.00 . A A . 44 TYR H 1 1 7 6450 1 1 44 TYR HA H -1.410 9.462 1.468 1.00 . A A . 44 TYR HA 1 1 7 6451 1 1 44 TYR HB2 H 0.905 8.586 3.166 1.00 . A A . 44 TYR HB2 1 1 7 6452 1 1 44 TYR HB3 H -0.077 7.400 2.317 1.00 . A A . 44 TYR HB3 1 1 7 6453 1 1 44 TYR HD1 H 0.593 10.724 0.893 1.00 . A A . 44 TYR HD1 1 1 7 6454 1 1 44 TYR HD2 H 1.754 6.630 0.941 1.00 . A A . 44 TYR HD2 1 1 7 6455 1 1 44 TYR HE1 H 1.926 11.085 -1.140 1.00 . A A . 44 TYR HE1 1 1 7 6456 1 1 44 TYR HE2 H 3.090 6.982 -1.093 1.00 . A A . 44 TYR HE2 1 1 7 6457 1 1 44 TYR HH H 3.250 8.491 -2.955 1.00 . A A . 44 TYR HH 1 1 7 6458 1 1 44 TYR N N -0.542 10.666 2.904 1.00 . A A . 44 TYR N 1 1 7 6459 1 1 44 TYR O O -2.237 7.521 3.337 1.00 . A A . 44 TYR O 1 1 7 6460 1 1 44 TYR OH O 3.336 9.254 -2.378 1.00 . A A . 44 TYR OH 1 1 7 6461 1 1 45 GLY C C -4.759 8.449 4.518 1.00 . A A . 45 GLY C 1 1 7 6462 1 1 45 GLY CA C -3.549 9.055 5.201 1.00 . A A . 45 GLY CA 1 1 7 6463 1 1 45 GLY H H -2.322 10.496 4.256 1.00 . A A . 45 GLY H 1 1 7 6464 1 1 45 GLY HA2 H -3.089 8.304 5.825 1.00 . A A . 45 GLY HA2 1 1 7 6465 1 1 45 GLY HA3 H -3.875 9.875 5.824 1.00 . A A . 45 GLY HA3 1 1 7 6466 1 1 45 GLY N N -2.563 9.548 4.256 1.00 . A A . 45 GLY N 1 1 7 6467 1 1 45 GLY O O -5.343 7.486 5.015 1.00 . A A . 45 GLY O 1 1 7 6468 1 1 46 GLN C C -5.969 7.193 1.951 1.00 . A A . 46 GLN C 1 1 7 6469 1 1 46 GLN CA C -6.286 8.524 2.625 1.00 . A A . 46 GLN CA 1 1 7 6470 1 1 46 GLN CB C -6.712 9.553 1.576 1.00 . A A . 46 GLN CB 1 1 7 6471 1 1 46 GLN CD C -8.273 11.287 2.545 1.00 . A A . 46 GLN CD 1 1 7 6472 1 1 46 GLN CG C -6.852 10.963 2.127 1.00 . A A . 46 GLN CG 1 1 7 6473 1 1 46 GLN H H -4.635 9.777 3.030 1.00 . A A . 46 GLN H 1 1 7 6474 1 1 46 GLN HA H -7.095 8.379 3.322 1.00 . A A . 46 GLN HA 1 1 7 6475 1 1 46 GLN HB2 H -5.976 9.570 0.785 1.00 . A A . 46 GLN HB2 1 1 7 6476 1 1 46 GLN HB3 H -7.664 9.255 1.162 1.00 . A A . 46 GLN HB3 1 1 7 6477 1 1 46 GLN HE21 H -7.619 12.784 3.683 1.00 . A A . 46 GLN HE21 1 1 7 6478 1 1 46 GLN HE22 H -9.338 12.536 3.671 1.00 . A A . 46 GLN HE22 1 1 7 6479 1 1 46 GLN HG2 H -6.208 11.065 2.987 1.00 . A A . 46 GLN HG2 1 1 7 6480 1 1 46 GLN HG3 H -6.547 11.665 1.365 1.00 . A A . 46 GLN HG3 1 1 7 6481 1 1 46 GLN N N -5.138 9.014 3.376 1.00 . A A . 46 GLN N 1 1 7 6482 1 1 46 GLN NE2 N -8.425 12.305 3.384 1.00 . A A . 46 GLN NE2 1 1 7 6483 1 1 46 GLN O O -6.863 6.388 1.694 1.00 . A A . 46 GLN O 1 1 7 6484 1 1 46 GLN OE1 O -9.223 10.630 2.118 1.00 . A A . 46 GLN OE1 1 1 7 6485 1 1 47 TYR C C -4.262 4.579 2.007 1.00 . A A . 47 TYR C 1 1 7 6486 1 1 47 TYR CA C -4.252 5.740 1.021 1.00 . A A . 47 TYR CA 1 1 7 6487 1 1 47 TYR CB C -2.853 5.917 0.456 1.00 . A A . 47 TYR CB 1 1 7 6488 1 1 47 TYR CD1 C -2.855 5.390 -2.008 1.00 . A A . 47 TYR CD1 1 1 7 6489 1 1 47 TYR CD2 C -1.921 3.783 -0.517 1.00 . A A . 47 TYR CD2 1 1 7 6490 1 1 47 TYR CE1 C -2.565 4.570 -3.080 1.00 . A A . 47 TYR CE1 1 1 7 6491 1 1 47 TYR CE2 C -1.625 2.957 -1.585 1.00 . A A . 47 TYR CE2 1 1 7 6492 1 1 47 TYR CG C -2.540 5.011 -0.711 1.00 . A A . 47 TYR CG 1 1 7 6493 1 1 47 TYR CZ C -1.949 3.355 -2.864 1.00 . A A . 47 TYR CZ 1 1 7 6494 1 1 47 TYR H H -4.024 7.652 1.895 1.00 . A A . 47 TYR H 1 1 7 6495 1 1 47 TYR HA H -4.924 5.524 0.218 1.00 . A A . 47 TYR HA 1 1 7 6496 1 1 47 TYR HB2 H -2.725 6.940 0.128 1.00 . A A . 47 TYR HB2 1 1 7 6497 1 1 47 TYR HB3 H -2.149 5.699 1.234 1.00 . A A . 47 TYR HB3 1 1 7 6498 1 1 47 TYR HD1 H -3.337 6.343 -2.173 1.00 . A A . 47 TYR HD1 1 1 7 6499 1 1 47 TYR HD2 H -1.670 3.474 0.487 1.00 . A A . 47 TYR HD2 1 1 7 6500 1 1 47 TYR HE1 H -2.819 4.883 -4.081 1.00 . A A . 47 TYR HE1 1 1 7 6501 1 1 47 TYR HE2 H -1.143 2.005 -1.414 1.00 . A A . 47 TYR HE2 1 1 7 6502 1 1 47 TYR HH H -0.718 2.592 -4.128 1.00 . A A . 47 TYR HH 1 1 7 6503 1 1 47 TYR N N -4.690 6.971 1.667 1.00 . A A . 47 TYR N 1 1 7 6504 1 1 47 TYR O O -4.748 3.490 1.700 1.00 . A A . 47 TYR O 1 1 7 6505 1 1 47 TYR OH O -1.656 2.538 -3.931 1.00 . A A . 47 TYR OH 1 1 7 6506 1 1 48 ILE C C -5.023 3.496 4.807 1.00 . A A . 48 ILE C 1 1 7 6507 1 1 48 ILE CA C -3.645 3.802 4.230 1.00 . A A . 48 ILE CA 1 1 7 6508 1 1 48 ILE CB C -2.704 4.231 5.373 1.00 . A A . 48 ILE CB 1 1 7 6509 1 1 48 ILE CD1 C -0.557 3.486 4.222 1.00 . A A . 48 ILE CD1 1 1 7 6510 1 1 48 ILE CG1 C -1.340 4.640 4.812 1.00 . A A . 48 ILE CG1 1 1 7 6511 1 1 48 ILE CG2 C -2.553 3.109 6.391 1.00 . A A . 48 ILE CG2 1 1 7 6512 1 1 48 ILE H H -3.338 5.706 3.372 1.00 . A A . 48 ILE H 1 1 7 6513 1 1 48 ILE HA H -3.245 2.905 3.784 1.00 . A A . 48 ILE HA 1 1 7 6514 1 1 48 ILE HB H -3.147 5.079 5.874 1.00 . A A . 48 ILE HB 1 1 7 6515 1 1 48 ILE HD11 H -1.052 3.135 3.328 1.00 . A A . 48 ILE HD11 1 1 7 6516 1 1 48 ILE HD12 H -0.501 2.682 4.941 1.00 . A A . 48 ILE HD12 1 1 7 6517 1 1 48 ILE HD13 H 0.440 3.818 3.974 1.00 . A A . 48 ILE HD13 1 1 7 6518 1 1 48 ILE HG12 H -1.484 5.374 4.034 1.00 . A A . 48 ILE HG12 1 1 7 6519 1 1 48 ILE HG13 H -0.748 5.074 5.604 1.00 . A A . 48 ILE HG13 1 1 7 6520 1 1 48 ILE HG21 H -2.006 3.473 7.249 1.00 . A A . 48 ILE HG21 1 1 7 6521 1 1 48 ILE HG22 H -2.015 2.287 5.944 1.00 . A A . 48 ILE HG22 1 1 7 6522 1 1 48 ILE HG23 H -3.530 2.772 6.704 1.00 . A A . 48 ILE HG23 1 1 7 6523 1 1 48 ILE N N -3.713 4.820 3.193 1.00 . A A . 48 ILE N 1 1 7 6524 1 1 48 ILE O O -5.326 2.348 5.131 1.00 . A A . 48 ILE O 1 1 7 6525 1 1 49 ARG C C -8.180 3.822 4.445 1.00 . A A . 49 ARG C 1 1 7 6526 1 1 49 ARG CA C -7.199 4.346 5.488 1.00 . A A . 49 ARG CA 1 1 7 6527 1 1 49 ARG CB C -7.715 5.656 6.087 1.00 . A A . 49 ARG CB 1 1 7 6528 1 1 49 ARG CD C -7.150 5.413 8.524 1.00 . A A . 49 ARG CD 1 1 7 6529 1 1 49 ARG CG C -6.867 6.173 7.238 1.00 . A A . 49 ARG CG 1 1 7 6530 1 1 49 ARG CZ C -7.512 7.159 10.223 1.00 . A A . 49 ARG CZ 1 1 7 6531 1 1 49 ARG H H -5.563 5.420 4.670 1.00 . A A . 49 ARG H 1 1 7 6532 1 1 49 ARG HA H -7.125 3.611 6.265 1.00 . A A . 49 ARG HA 1 1 7 6533 1 1 49 ARG HB2 H -7.733 6.410 5.314 1.00 . A A . 49 ARG HB2 1 1 7 6534 1 1 49 ARG HB3 H -8.720 5.501 6.450 1.00 . A A . 49 ARG HB3 1 1 7 6535 1 1 49 ARG HD2 H -8.206 5.192 8.571 1.00 . A A . 49 ARG HD2 1 1 7 6536 1 1 49 ARG HD3 H -6.590 4.489 8.511 1.00 . A A . 49 ARG HD3 1 1 7 6537 1 1 49 ARG HE H -5.925 5.952 10.144 1.00 . A A . 49 ARG HE 1 1 7 6538 1 1 49 ARG HG2 H -5.824 6.057 6.985 1.00 . A A . 49 ARG HG2 1 1 7 6539 1 1 49 ARG HG3 H -7.088 7.220 7.393 1.00 . A A . 49 ARG HG3 1 1 7 6540 1 1 49 ARG HH11 H -8.985 7.014 8.845 1.00 . A A . 49 ARG HH11 1 1 7 6541 1 1 49 ARG HH12 H -9.217 8.233 10.053 1.00 . A A . 49 ARG HH12 1 1 7 6542 1 1 49 ARG HH21 H -6.228 7.555 11.733 1.00 . A A . 49 ARG HH21 1 1 7 6543 1 1 49 ARG HH22 H -7.652 8.541 11.692 1.00 . A A . 49 ARG HH22 1 1 7 6544 1 1 49 ARG N N -5.857 4.525 4.940 1.00 . A A . 49 ARG N 1 1 7 6545 1 1 49 ARG NE N -6.773 6.180 9.708 1.00 . A A . 49 ARG NE 1 1 7 6546 1 1 49 ARG NH1 N -8.666 7.496 9.660 1.00 . A A . 49 ARG NH1 1 1 7 6547 1 1 49 ARG NH2 N -7.097 7.804 11.305 1.00 . A A . 49 ARG NH2 1 1 7 6548 1 1 49 ARG O O -9.391 4.008 4.568 1.00 . A A . 49 ARG O 1 1 7 6549 1 1 50 SER C C -9.068 1.249 2.828 1.00 . A A . 50 SER C 1 1 7 6550 1 1 50 SER CA C -8.476 2.583 2.380 1.00 . A A . 50 SER CA 1 1 7 6551 1 1 50 SER CB C -7.655 2.395 1.115 1.00 . A A . 50 SER CB 1 1 7 6552 1 1 50 SER H H -6.689 3.026 3.406 1.00 . A A . 50 SER H 1 1 7 6553 1 1 50 SER HA H -9.274 3.265 2.173 1.00 . A A . 50 SER HA 1 1 7 6554 1 1 50 SER HB2 H -6.864 3.134 1.086 1.00 . A A . 50 SER HB2 1 1 7 6555 1 1 50 SER HB3 H -7.233 1.412 1.126 1.00 . A A . 50 SER HB3 1 1 7 6556 1 1 50 SER HG H -8.726 3.456 -0.136 1.00 . A A . 50 SER HG 1 1 7 6557 1 1 50 SER N N -7.653 3.154 3.434 1.00 . A A . 50 SER N 1 1 7 6558 1 1 50 SER O O -8.492 0.561 3.670 1.00 . A A . 50 SER O 1 1 7 6559 1 1 50 SER OG O -8.458 2.539 -0.043 1.00 . A A . 50 SER OG 1 1 7 6560 1 1 51 PRO C C -10.242 -1.585 1.867 1.00 . A A . 51 PRO C 1 1 7 6561 1 1 51 PRO CA C -10.864 -0.406 2.606 1.00 . A A . 51 PRO CA 1 1 7 6562 1 1 51 PRO CB C -12.322 -0.206 2.176 1.00 . A A . 51 PRO CB 1 1 7 6563 1 1 51 PRO CD C -10.966 1.588 1.232 1.00 . A A . 51 PRO CD 1 1 7 6564 1 1 51 PRO CG C -12.350 0.992 1.271 1.00 . A A . 51 PRO CG 1 1 7 6565 1 1 51 PRO HA H -10.823 -0.591 3.670 1.00 . A A . 51 PRO HA 1 1 7 6566 1 1 51 PRO HB2 H -12.666 -1.090 1.660 1.00 . A A . 51 PRO HB2 1 1 7 6567 1 1 51 PRO HB3 H -12.932 -0.044 3.053 1.00 . A A . 51 PRO HB3 1 1 7 6568 1 1 51 PRO HD2 H -10.523 1.431 0.260 1.00 . A A . 51 PRO HD2 1 1 7 6569 1 1 51 PRO HD3 H -11.006 2.642 1.462 1.00 . A A . 51 PRO HD3 1 1 7 6570 1 1 51 PRO HG2 H -12.644 0.688 0.276 1.00 . A A . 51 PRO HG2 1 1 7 6571 1 1 51 PRO HG3 H -13.054 1.716 1.655 1.00 . A A . 51 PRO HG3 1 1 7 6572 1 1 51 PRO N N -10.221 0.854 2.264 1.00 . A A . 51 PRO N 1 1 7 6573 1 1 51 PRO O O -10.030 -2.655 2.438 1.00 . A A . 51 PRO O 1 1 7 6574 1 1 52 HIS C C -7.875 -2.511 -0.080 1.00 . A A . 52 HIS C 1 1 7 6575 1 1 52 HIS CA C -9.387 -2.404 -0.270 1.00 . A A . 52 HIS CA 1 1 7 6576 1 1 52 HIS CB C -9.714 -2.110 -1.739 1.00 . A A . 52 HIS CB 1 1 7 6577 1 1 52 HIS CD2 C -12.098 -1.237 -1.197 1.00 . A A . 52 HIS CD2 1 1 7 6578 1 1 52 HIS CE1 C -12.291 0.222 -2.816 1.00 . A A . 52 HIS CE1 1 1 7 6579 1 1 52 HIS CG C -10.955 -1.284 -1.922 1.00 . A A . 52 HIS CG 1 1 7 6580 1 1 52 HIS H H -10.174 -0.499 0.200 1.00 . A A . 52 HIS H 1 1 7 6581 1 1 52 HIS HA H -9.834 -3.346 0.003 1.00 . A A . 52 HIS HA 1 1 7 6582 1 1 52 HIS HB2 H -8.890 -1.572 -2.184 1.00 . A A . 52 HIS HB2 1 1 7 6583 1 1 52 HIS HB3 H -9.854 -3.043 -2.264 1.00 . A A . 52 HIS HB3 1 1 7 6584 1 1 52 HIS HD1 H -10.450 -0.155 -3.628 1.00 . A A . 52 HIS HD1 1 1 7 6585 1 1 52 HIS HD2 H -12.318 -1.816 -0.312 1.00 . A A . 52 HIS HD2 1 1 7 6586 1 1 52 HIS HE1 H -12.680 0.998 -3.454 1.00 . A A . 52 HIS HE1 1 1 7 6587 1 1 52 HIS HE2 H -13.759 0.025 -1.406 1.00 . A A . 52 HIS HE2 1 1 7 6588 1 1 52 HIS N N -9.969 -1.374 0.587 1.00 . A A . 52 HIS N 1 1 7 6589 1 1 52 HIS ND1 N -11.109 -0.359 -2.932 1.00 . A A . 52 HIS ND1 1 1 7 6590 1 1 52 HIS NE2 N -12.910 -0.296 -1.774 1.00 . A A . 52 HIS NE2 1 1 7 6591 1 1 52 HIS O O -7.265 -3.512 -0.457 1.00 . A A . 52 HIS O 1 1 7 6592 1 1 53 ALA C C -5.392 -2.649 1.559 1.00 . A A . 53 ALA C 1 1 7 6593 1 1 53 ALA CA C -5.834 -1.462 0.721 1.00 . A A . 53 ALA CA 1 1 7 6594 1 1 53 ALA CB C -5.413 -0.161 1.388 1.00 . A A . 53 ALA CB 1 1 7 6595 1 1 53 ALA H H -7.801 -0.706 0.772 1.00 . A A . 53 ALA H 1 1 7 6596 1 1 53 ALA HA H -5.356 -1.516 -0.233 1.00 . A A . 53 ALA HA 1 1 7 6597 1 1 53 ALA HB1 H -5.453 0.642 0.667 1.00 . A A . 53 ALA HB1 1 1 7 6598 1 1 53 ALA HB2 H -4.405 -0.258 1.762 1.00 . A A . 53 ALA HB2 1 1 7 6599 1 1 53 ALA HB3 H -6.082 0.057 2.207 1.00 . A A . 53 ALA HB3 1 1 7 6600 1 1 53 ALA N N -7.271 -1.477 0.497 1.00 . A A . 53 ALA N 1 1 7 6601 1 1 53 ALA O O -4.495 -3.401 1.179 1.00 . A A . 53 ALA O 1 1 7 6602 1 1 54 ARG C C -5.901 -5.238 2.957 1.00 . A A . 54 ARG C 1 1 7 6603 1 1 54 ARG CA C -5.717 -3.882 3.623 1.00 . A A . 54 ARG CA 1 1 7 6604 1 1 54 ARG CB C -6.592 -3.785 4.873 1.00 . A A . 54 ARG CB 1 1 7 6605 1 1 54 ARG CD C -6.614 -3.340 7.347 1.00 . A A . 54 ARG CD 1 1 7 6606 1 1 54 ARG CG C -5.808 -3.868 6.172 1.00 . A A . 54 ARG CG 1 1 7 6607 1 1 54 ARG CZ C -8.728 -3.958 8.458 1.00 . A A . 54 ARG CZ 1 1 7 6608 1 1 54 ARG H H -6.723 -2.160 2.942 1.00 . A A . 54 ARG H 1 1 7 6609 1 1 54 ARG HA H -4.690 -3.776 3.905 1.00 . A A . 54 ARG HA 1 1 7 6610 1 1 54 ARG HB2 H -7.120 -2.843 4.857 1.00 . A A . 54 ARG HB2 1 1 7 6611 1 1 54 ARG HB3 H -7.312 -4.590 4.861 1.00 . A A . 54 ARG HB3 1 1 7 6612 1 1 54 ARG HD2 H -6.118 -3.625 8.263 1.00 . A A . 54 ARG HD2 1 1 7 6613 1 1 54 ARG HD3 H -6.657 -2.263 7.282 1.00 . A A . 54 ARG HD3 1 1 7 6614 1 1 54 ARG HE H -8.352 -4.178 6.511 1.00 . A A . 54 ARG HE 1 1 7 6615 1 1 54 ARG HG2 H -5.550 -4.900 6.360 1.00 . A A . 54 ARG HG2 1 1 7 6616 1 1 54 ARG HG3 H -4.906 -3.282 6.073 1.00 . A A . 54 ARG HG3 1 1 7 6617 1 1 54 ARG HH11 H -7.338 -3.165 9.696 1.00 . A A . 54 ARG HH11 1 1 7 6618 1 1 54 ARG HH12 H -8.831 -3.614 10.448 1.00 . A A . 54 ARG HH12 1 1 7 6619 1 1 54 ARG HH21 H -10.313 -4.770 7.502 1.00 . A A . 54 ARG HH21 1 1 7 6620 1 1 54 ARG HH22 H -10.519 -4.525 9.204 1.00 . A A . 54 ARG HH22 1 1 7 6621 1 1 54 ARG N N -6.029 -2.800 2.705 1.00 . A A . 54 ARG N 1 1 7 6622 1 1 54 ARG NE N -7.977 -3.870 7.362 1.00 . A A . 54 ARG NE 1 1 7 6623 1 1 54 ARG NH1 N -8.260 -3.545 9.630 1.00 . A A . 54 ARG NH1 1 1 7 6624 1 1 54 ARG NH2 N -9.954 -4.458 8.382 1.00 . A A . 54 ARG NH2 1 1 7 6625 1 1 54 ARG O O -5.175 -6.190 3.245 1.00 . A A . 54 ARG O 1 1 7 6626 1 1 55 ASP C C -6.042 -6.874 0.370 1.00 . A A . 55 ASP C 1 1 7 6627 1 1 55 ASP CA C -7.157 -6.551 1.350 1.00 . A A . 55 ASP CA 1 1 7 6628 1 1 55 ASP CB C -8.484 -6.452 0.614 1.00 . A A . 55 ASP CB 1 1 7 6629 1 1 55 ASP CG C -9.120 -7.809 0.383 1.00 . A A . 55 ASP CG 1 1 7 6630 1 1 55 ASP H H -7.411 -4.521 1.880 1.00 . A A . 55 ASP H 1 1 7 6631 1 1 55 ASP HA H -7.218 -7.334 2.064 1.00 . A A . 55 ASP HA 1 1 7 6632 1 1 55 ASP HB2 H -9.169 -5.845 1.191 1.00 . A A . 55 ASP HB2 1 1 7 6633 1 1 55 ASP HB3 H -8.310 -5.991 -0.338 1.00 . A A . 55 ASP HB3 1 1 7 6634 1 1 55 ASP N N -6.873 -5.315 2.063 1.00 . A A . 55 ASP N 1 1 7 6635 1 1 55 ASP O O -5.621 -8.023 0.242 1.00 . A A . 55 ASP O 1 1 7 6636 1 1 55 ASP OD1 O -8.756 -8.473 -0.611 1.00 . A A . 55 ASP OD1 1 1 7 6637 1 1 55 ASP OD2 O -9.981 -8.208 1.195 1.00 . A A . 55 ASP OD2 1 1 7 6638 1 1 56 THR C C -3.238 -6.537 -0.616 1.00 . A A . 56 THR C 1 1 7 6639 1 1 56 THR CA C -4.498 -5.997 -1.280 1.00 . A A . 56 THR CA 1 1 7 6640 1 1 56 THR CB C -4.206 -4.666 -1.953 1.00 . A A . 56 THR CB 1 1 7 6641 1 1 56 THR CG2 C -3.597 -4.809 -3.331 1.00 . A A . 56 THR CG2 1 1 7 6642 1 1 56 THR H H -5.945 -4.964 -0.158 1.00 . A A . 56 THR H 1 1 7 6643 1 1 56 THR HA H -4.825 -6.690 -2.022 1.00 . A A . 56 THR HA 1 1 7 6644 1 1 56 THR HB H -3.514 -4.127 -1.341 1.00 . A A . 56 THR HB 1 1 7 6645 1 1 56 THR HG1 H -5.158 -2.994 -2.322 1.00 . A A . 56 THR HG1 1 1 7 6646 1 1 56 THR HG21 H -3.809 -3.924 -3.912 1.00 . A A . 56 THR HG21 1 1 7 6647 1 1 56 THR HG22 H -4.019 -5.673 -3.823 1.00 . A A . 56 THR HG22 1 1 7 6648 1 1 56 THR HG23 H -2.528 -4.932 -3.241 1.00 . A A . 56 THR HG23 1 1 7 6649 1 1 56 THR N N -5.567 -5.846 -0.313 1.00 . A A . 56 THR N 1 1 7 6650 1 1 56 THR O O -2.627 -7.489 -1.101 1.00 . A A . 56 THR O 1 1 7 6651 1 1 56 THR OG1 O -5.387 -3.894 -2.080 1.00 . A A . 56 THR OG1 1 1 7 6652 1 1 57 LEU C C -1.814 -7.771 1.718 1.00 . A A . 57 LEU C 1 1 7 6653 1 1 57 LEU CA C -1.673 -6.338 1.230 1.00 . A A . 57 LEU CA 1 1 7 6654 1 1 57 LEU CB C -1.418 -5.397 2.403 1.00 . A A . 57 LEU CB 1 1 7 6655 1 1 57 LEU CD1 C -0.900 -2.949 2.212 1.00 . A A . 57 LEU CD1 1 1 7 6656 1 1 57 LEU CD2 C 0.792 -4.508 3.192 1.00 . A A . 57 LEU CD2 1 1 7 6657 1 1 57 LEU CG C -0.324 -4.356 2.168 1.00 . A A . 57 LEU CG 1 1 7 6658 1 1 57 LEU H H -3.380 -5.171 0.835 1.00 . A A . 57 LEU H 1 1 7 6659 1 1 57 LEU HA H -0.849 -6.284 0.561 1.00 . A A . 57 LEU HA 1 1 7 6660 1 1 57 LEU HB2 H -2.337 -4.878 2.611 1.00 . A A . 57 LEU HB2 1 1 7 6661 1 1 57 LEU HB3 H -1.145 -5.988 3.265 1.00 . A A . 57 LEU HB3 1 1 7 6662 1 1 57 LEU HD11 H -0.160 -2.245 1.861 1.00 . A A . 57 LEU HD11 1 1 7 6663 1 1 57 LEU HD12 H -1.176 -2.704 3.227 1.00 . A A . 57 LEU HD12 1 1 7 6664 1 1 57 LEU HD13 H -1.774 -2.898 1.579 1.00 . A A . 57 LEU HD13 1 1 7 6665 1 1 57 LEU HD21 H 1.746 -4.353 2.710 1.00 . A A . 57 LEU HD21 1 1 7 6666 1 1 57 LEU HD22 H 0.759 -5.501 3.613 1.00 . A A . 57 LEU HD22 1 1 7 6667 1 1 57 LEU HD23 H 0.662 -3.779 3.977 1.00 . A A . 57 LEU HD23 1 1 7 6668 1 1 57 LEU HG H 0.096 -4.512 1.190 1.00 . A A . 57 LEU HG 1 1 7 6669 1 1 57 LEU N N -2.855 -5.922 0.499 1.00 . A A . 57 LEU N 1 1 7 6670 1 1 57 LEU O O -0.915 -8.595 1.542 1.00 . A A . 57 LEU O 1 1 7 6671 1 1 58 THR C C -3.225 -10.407 1.706 1.00 . A A . 58 THR C 1 1 7 6672 1 1 58 THR CA C -3.231 -9.390 2.837 1.00 . A A . 58 THR CA 1 1 7 6673 1 1 58 THR CB C -4.575 -9.416 3.567 1.00 . A A . 58 THR CB 1 1 7 6674 1 1 58 THR CG2 C -4.914 -10.771 4.151 1.00 . A A . 58 THR CG2 1 1 7 6675 1 1 58 THR H H -3.621 -7.361 2.427 1.00 . A A . 58 THR H 1 1 7 6676 1 1 58 THR HA H -2.446 -9.640 3.529 1.00 . A A . 58 THR HA 1 1 7 6677 1 1 58 THR HB H -5.356 -9.151 2.869 1.00 . A A . 58 THR HB 1 1 7 6678 1 1 58 THR HG1 H -4.911 -7.632 4.302 1.00 . A A . 58 THR HG1 1 1 7 6679 1 1 58 THR HG21 H -4.007 -11.338 4.297 1.00 . A A . 58 THR HG21 1 1 7 6680 1 1 58 THR HG22 H -5.565 -11.302 3.472 1.00 . A A . 58 THR HG22 1 1 7 6681 1 1 58 THR HG23 H -5.414 -10.639 5.099 1.00 . A A . 58 THR HG23 1 1 7 6682 1 1 58 THR N N -2.953 -8.060 2.325 1.00 . A A . 58 THR N 1 1 7 6683 1 1 58 THR O O -2.651 -11.488 1.833 1.00 . A A . 58 THR O 1 1 7 6684 1 1 58 THR OG1 O -4.588 -8.475 4.626 1.00 . A A . 58 THR OG1 1 1 7 6685 1 1 59 SER C C -2.490 -11.370 -0.929 1.00 . A A . 59 SER C 1 1 7 6686 1 1 59 SER CA C -3.894 -10.916 -0.571 1.00 . A A . 59 SER CA 1 1 7 6687 1 1 59 SER CB C -4.514 -10.181 -1.742 1.00 . A A . 59 SER CB 1 1 7 6688 1 1 59 SER H H -4.274 -9.168 0.536 1.00 . A A . 59 SER H 1 1 7 6689 1 1 59 SER HA H -4.491 -11.764 -0.333 1.00 . A A . 59 SER HA 1 1 7 6690 1 1 59 SER HB2 H -5.273 -9.506 -1.377 1.00 . A A . 59 SER HB2 1 1 7 6691 1 1 59 SER HB3 H -3.745 -9.623 -2.236 1.00 . A A . 59 SER HB3 1 1 7 6692 1 1 59 SER HG H -4.413 -11.632 -3.054 1.00 . A A . 59 SER HG 1 1 7 6693 1 1 59 SER N N -3.849 -10.045 0.589 1.00 . A A . 59 SER N 1 1 7 6694 1 1 59 SER O O -2.278 -12.477 -1.422 1.00 . A A . 59 SER O 1 1 7 6695 1 1 59 SER OG O -5.098 -11.081 -2.667 1.00 . A A . 59 SER OG 1 1 7 6696 1 1 60 CYS C C 0.441 -11.657 0.167 1.00 . A A . 60 CYS C 1 1 7 6697 1 1 60 CYS CA C -0.140 -10.760 -0.919 1.00 . A A . 60 CYS CA 1 1 7 6698 1 1 60 CYS CB C 0.624 -9.441 -0.972 1.00 . A A . 60 CYS CB 1 1 7 6699 1 1 60 CYS H H -1.782 -9.634 -0.257 1.00 . A A . 60 CYS H 1 1 7 6700 1 1 60 CYS HA H -0.062 -11.257 -1.873 1.00 . A A . 60 CYS HA 1 1 7 6701 1 1 60 CYS HB2 H -0.075 -8.637 -1.151 1.00 . A A . 60 CYS HB2 1 1 7 6702 1 1 60 CYS HB3 H 1.104 -9.280 -0.021 1.00 . A A . 60 CYS HB3 1 1 7 6703 1 1 60 CYS N N -1.536 -10.492 -0.657 1.00 . A A . 60 CYS N 1 1 7 6704 1 1 60 CYS O O 1.311 -12.487 -0.096 1.00 . A A . 60 CYS O 1 1 7 6705 1 1 60 CYS SG S 1.898 -9.368 -2.274 1.00 . A A . 60 CYS SG 1 1 7 6706 1 1 61 GLY C C 1.847 -11.939 2.900 1.00 . A A . 61 GLY C 1 1 7 6707 1 1 61 GLY CA C 0.427 -12.287 2.500 1.00 . A A . 61 GLY CA 1 1 7 6708 1 1 61 GLY H H -0.748 -10.807 1.545 1.00 . A A . 61 GLY H 1 1 7 6709 1 1 61 GLY HA2 H -0.222 -12.131 3.349 1.00 . A A . 61 GLY HA2 1 1 7 6710 1 1 61 GLY HA3 H 0.389 -13.329 2.218 1.00 . A A . 61 GLY HA3 1 1 7 6711 1 1 61 GLY N N -0.052 -11.485 1.392 1.00 . A A . 61 GLY N 1 1 7 6712 1 1 61 GLY O O 2.725 -12.802 2.906 1.00 . A A . 61 GLY O 1 1 7 6713 1 1 62 LEU C C 3.364 -9.692 5.087 1.00 . A A . 62 LEU C 1 1 7 6714 1 1 62 LEU CA C 3.398 -10.225 3.658 1.00 . A A . 62 LEU CA 1 1 7 6715 1 1 62 LEU CB C 3.958 -9.151 2.708 1.00 . A A . 62 LEU CB 1 1 7 6716 1 1 62 LEU CD1 C 2.765 -6.982 2.244 1.00 . A A . 62 LEU CD1 1 1 7 6717 1 1 62 LEU CD2 C 3.394 -8.485 0.355 1.00 . A A . 62 LEU CD2 1 1 7 6718 1 1 62 LEU CG C 2.943 -8.428 1.806 1.00 . A A . 62 LEU CG 1 1 7 6719 1 1 62 LEU H H 1.332 -10.034 3.229 1.00 . A A . 62 LEU H 1 1 7 6720 1 1 62 LEU HA H 4.053 -11.084 3.632 1.00 . A A . 62 LEU HA 1 1 7 6721 1 1 62 LEU HB2 H 4.462 -8.407 3.307 1.00 . A A . 62 LEU HB2 1 1 7 6722 1 1 62 LEU HB3 H 4.693 -9.624 2.072 1.00 . A A . 62 LEU HB3 1 1 7 6723 1 1 62 LEU HD11 H 1.939 -6.916 2.937 1.00 . A A . 62 LEU HD11 1 1 7 6724 1 1 62 LEU HD12 H 2.560 -6.367 1.381 1.00 . A A . 62 LEU HD12 1 1 7 6725 1 1 62 LEU HD13 H 3.668 -6.637 2.726 1.00 . A A . 62 LEU HD13 1 1 7 6726 1 1 62 LEU HD21 H 4.413 -8.135 0.282 1.00 . A A . 62 LEU HD21 1 1 7 6727 1 1 62 LEU HD22 H 2.754 -7.857 -0.245 1.00 . A A . 62 LEU HD22 1 1 7 6728 1 1 62 LEU HD23 H 3.337 -9.503 -0.001 1.00 . A A . 62 LEU HD23 1 1 7 6729 1 1 62 LEU HG H 1.983 -8.915 1.875 1.00 . A A . 62 LEU HG 1 1 7 6730 1 1 62 LEU N N 2.073 -10.675 3.245 1.00 . A A . 62 LEU N 1 1 7 6731 1 1 62 LEU O O 3.727 -10.395 6.030 1.00 . A A . 62 LEU O 1 1 7 6732 1 1 63 ALA C C 1.726 -6.791 6.607 1.00 . A A . 63 ALA C 1 1 7 6733 1 1 63 ALA CA C 2.845 -7.826 6.551 1.00 . A A . 63 ALA CA 1 1 7 6734 1 1 63 ALA CB C 4.177 -7.190 6.918 1.00 . A A . 63 ALA CB 1 1 7 6735 1 1 63 ALA H H 2.649 -7.941 4.457 1.00 . A A . 63 ALA H 1 1 7 6736 1 1 63 ALA HA H 2.636 -8.602 7.264 1.00 . A A . 63 ALA HA 1 1 7 6737 1 1 63 ALA HB1 H 4.965 -7.923 6.825 1.00 . A A . 63 ALA HB1 1 1 7 6738 1 1 63 ALA HB2 H 4.137 -6.833 7.937 1.00 . A A . 63 ALA HB2 1 1 7 6739 1 1 63 ALA HB3 H 4.376 -6.361 6.255 1.00 . A A . 63 ALA HB3 1 1 7 6740 1 1 63 ALA N N 2.927 -8.448 5.240 1.00 . A A . 63 ALA N 1 1 7 6741 1 1 63 ALA O O 1.170 -6.407 5.579 1.00 . A A . 63 ALA O 1 1 7 6742 1 1 64 VAL C C 0.949 -4.017 8.450 1.00 . A A . 64 VAL C 1 1 7 6743 1 1 64 VAL CA C 0.359 -5.360 8.017 1.00 . A A . 64 VAL CA 1 1 7 6744 1 1 64 VAL CB C -0.657 -5.841 9.074 1.00 . A A . 64 VAL CB 1 1 7 6745 1 1 64 VAL CG1 C -0.032 -5.854 10.462 1.00 . A A . 64 VAL CG1 1 1 7 6746 1 1 64 VAL CG2 C -1.908 -4.976 9.051 1.00 . A A . 64 VAL CG2 1 1 7 6747 1 1 64 VAL H H 1.877 -6.689 8.591 1.00 . A A . 64 VAL H 1 1 7 6748 1 1 64 VAL HA H -0.155 -5.236 7.083 1.00 . A A . 64 VAL HA 1 1 7 6749 1 1 64 VAL HB H -0.941 -6.853 8.827 1.00 . A A . 64 VAL HB 1 1 7 6750 1 1 64 VAL HG11 H -0.435 -6.680 11.030 1.00 . A A . 64 VAL HG11 1 1 7 6751 1 1 64 VAL HG12 H -0.256 -4.926 10.967 1.00 . A A . 64 VAL HG12 1 1 7 6752 1 1 64 VAL HG13 H 1.039 -5.966 10.374 1.00 . A A . 64 VAL HG13 1 1 7 6753 1 1 64 VAL HG21 H -2.436 -5.131 8.122 1.00 . A A . 64 VAL HG21 1 1 7 6754 1 1 64 VAL HG22 H -1.628 -3.936 9.138 1.00 . A A . 64 VAL HG22 1 1 7 6755 1 1 64 VAL HG23 H -2.547 -5.247 9.878 1.00 . A A . 64 VAL HG23 1 1 7 6756 1 1 64 VAL N N 1.403 -6.345 7.816 1.00 . A A . 64 VAL N 1 1 7 6757 1 1 64 VAL O O 1.852 -3.973 9.285 1.00 . A A . 64 VAL O 1 1 7 6758 1 1 65 PRO C C 0.701 -1.221 9.703 1.00 . A A . 65 PRO C 1 1 7 6759 1 1 65 PRO CA C 0.942 -1.561 8.237 1.00 . A A . 65 PRO CA 1 1 7 6760 1 1 65 PRO CB C 0.133 -0.629 7.328 1.00 . A A . 65 PRO CB 1 1 7 6761 1 1 65 PRO CD C -0.629 -2.842 6.889 1.00 . A A . 65 PRO CD 1 1 7 6762 1 1 65 PRO CG C -1.079 -1.411 6.964 1.00 . A A . 65 PRO CG 1 1 7 6763 1 1 65 PRO HA H 1.995 -1.459 8.015 1.00 . A A . 65 PRO HA 1 1 7 6764 1 1 65 PRO HB2 H -0.126 0.271 7.866 1.00 . A A . 65 PRO HB2 1 1 7 6765 1 1 65 PRO HB3 H 0.715 -0.377 6.454 1.00 . A A . 65 PRO HB3 1 1 7 6766 1 1 65 PRO HD2 H -1.438 -3.507 7.150 1.00 . A A . 65 PRO HD2 1 1 7 6767 1 1 65 PRO HD3 H -0.252 -3.068 5.903 1.00 . A A . 65 PRO HD3 1 1 7 6768 1 1 65 PRO HG2 H -1.834 -1.292 7.727 1.00 . A A . 65 PRO HG2 1 1 7 6769 1 1 65 PRO HG3 H -1.454 -1.085 6.007 1.00 . A A . 65 PRO HG3 1 1 7 6770 1 1 65 PRO N N 0.449 -2.899 7.892 1.00 . A A . 65 PRO N 1 1 7 6771 1 1 65 PRO O O 0.442 -2.103 10.521 1.00 . A A . 65 PRO O 1 1 7 6772 1 1 66 HIS C C 1.533 -0.186 12.360 1.00 . A A . 66 HIS C 1 1 7 6773 1 1 66 HIS CA C 0.583 0.522 11.399 1.00 . A A . 66 HIS CA 1 1 7 6774 1 1 66 HIS CB C -0.867 0.282 11.824 1.00 . A A . 66 HIS CB 1 1 7 6775 1 1 66 HIS CD2 C -2.369 2.363 11.457 1.00 . A A . 66 HIS CD2 1 1 7 6776 1 1 66 HIS CE1 C -3.228 1.795 9.526 1.00 . A A . 66 HIS CE1 1 1 7 6777 1 1 66 HIS CG C -1.847 1.161 11.116 1.00 . A A . 66 HIS CG 1 1 7 6778 1 1 66 HIS H H 0.999 0.719 9.334 1.00 . A A . 66 HIS H 1 1 7 6779 1 1 66 HIS HA H 0.786 1.582 11.427 1.00 . A A . 66 HIS HA 1 1 7 6780 1 1 66 HIS HB2 H -1.132 -0.743 11.613 1.00 . A A . 66 HIS HB2 1 1 7 6781 1 1 66 HIS HB3 H -0.960 0.464 12.884 1.00 . A A . 66 HIS HB3 1 1 7 6782 1 1 66 HIS HD1 H -2.226 0.018 9.389 1.00 . A A . 66 HIS HD1 1 1 7 6783 1 1 66 HIS HD2 H -2.154 2.924 12.353 1.00 . A A . 66 HIS HD2 1 1 7 6784 1 1 66 HIS HE1 H -3.806 1.809 8.619 1.00 . A A . 66 HIS HE1 1 1 7 6785 1 1 66 HIS HE2 H -3.673 3.602 10.378 1.00 . A A . 66 HIS HE2 1 1 7 6786 1 1 66 HIS N N 0.790 0.064 10.030 1.00 . A A . 66 HIS N 1 1 7 6787 1 1 66 HIS ND1 N -2.406 0.834 9.901 1.00 . A A . 66 HIS ND1 1 1 7 6788 1 1 66 HIS NE2 N -3.225 2.734 10.452 1.00 . A A . 66 HIS NE2 1 1 7 6789 1 1 66 HIS O O 1.175 -0.477 13.501 1.00 . A A . 66 HIS O 1 1 7 6790 1 1 67 CYS C C 4.512 -0.134 13.565 1.00 . A A . 67 CYS C 1 1 7 6791 1 1 67 CYS CA C 3.748 -1.135 12.704 1.00 . A A . 67 CYS CA 1 1 7 6792 1 1 67 CYS CB C 4.723 -1.907 11.813 1.00 . A A . 67 CYS CB 1 1 7 6793 1 1 67 CYS H H 2.970 -0.203 10.970 1.00 . A A . 67 CYS H 1 1 7 6794 1 1 67 CYS HA H 3.236 -1.832 13.350 1.00 . A A . 67 CYS HA 1 1 7 6795 1 1 67 CYS HB2 H 5.476 -2.371 12.433 1.00 . A A . 67 CYS HB2 1 1 7 6796 1 1 67 CYS HB3 H 4.181 -2.674 11.279 1.00 . A A . 67 CYS HB3 1 1 7 6797 1 1 67 CYS N N 2.745 -0.460 11.889 1.00 . A A . 67 CYS N 1 1 7 6798 1 1 67 CYS O O 5.031 0.853 13.004 1.00 . A A . 67 CYS O 1 1 7 6799 1 1 67 CYS OXT O 4.585 -0.347 14.794 1.00 . A A . 67 CYS OXT 1 1 7 6800 1 1 67 CYS SG S 5.582 -0.874 10.581 1.00 . A A . 67 CYS SG 1 1 7 6801 2 2 1 PGM C1 C -6.959 -0.548 19.401 1.00 . B A . 68 PGM C1 1 1 7 6802 2 2 1 PGM C2 C -6.528 -0.090 18.078 1.00 . B A . 68 PGM C2 1 1 7 6803 2 2 1 PGM C3 C -7.328 -0.683 17.004 1.00 . B A . 68 PGM C3 1 1 7 6804 2 2 1 PGM C7 C -5.732 -1.803 12.176 1.00 . B A . 68 PGM C7 1 1 7 6805 2 2 1 PGM C8 C -4.432 -1.619 11.525 1.00 . B A . 68 PGM C8 1 1 7 6806 2 2 1 PGM C9 C -4.554 -1.539 10.091 1.00 . B A . 68 PGM C9 1 1 7 6807 2 2 1 PGM CA C -5.928 -0.188 8.795 1.00 . B A . 68 PGM CA 1 1 7 6808 2 2 1 PGM CB C -5.590 0.214 7.424 1.00 . B A . 68 PGM CB 1 1 7 6809 2 2 1 PGM CC C -4.371 -0.439 6.826 1.00 . B A . 68 PGM CC 1 1 7 6810 2 2 1 PGM CD C -4.367 -0.508 5.324 1.00 . B A . 68 PGM CD 1 1 7 6811 2 2 1 PGM CE C -3.293 0.313 4.676 1.00 . B A . 68 PGM CE 1 1 7 6812 2 2 1 PGM CF C -2.499 -0.417 3.636 1.00 . B A . 68 PGM CF 1 1 7 6813 2 2 1 PGM CG C -1.585 0.452 2.823 1.00 . B A . 68 PGM CG 1 1 7 6814 2 2 1 PGM CH C -0.164 0.478 3.277 1.00 . B A . 68 PGM CH 1 1 7 6815 2 2 1 PGM CI C 0.844 0.693 2.196 1.00 . B A . 68 PGM CI 1 1 7 6816 2 2 1 PGM CJ C 1.186 2.122 1.936 1.00 . B A . 68 PGM CJ 1 1 7 6817 2 2 1 PGM CK C 0.861 2.621 0.566 1.00 . B A . 68 PGM CK 1 1 7 6818 2 2 1 PGM CL C 1.127 4.077 0.337 1.00 . B A . 68 PGM CL 1 1 7 6819 2 2 1 PGM CM C 1.334 4.470 -1.090 1.00 . B A . 68 PGM CM 1 1 7 6820 2 2 1 PGM CN C 0.464 5.585 -1.577 1.00 . B A . 68 PGM CN 1 1 7 6821 2 2 1 PGM CO C 0.896 6.214 -2.862 1.00 . B A . 68 PGM CO 1 1 7 6822 2 2 1 PGM CP C 0.393 7.613 -3.065 1.00 . B A . 68 PGM CP 1 1 7 6823 2 2 1 PGM O1 O -5.963 -0.237 20.343 1.00 . B A . 68 PGM O1 1 1 7 6824 2 2 1 PGM O2 O -6.642 1.310 18.017 1.00 . B A . 68 PGM O2 1 1 7 6825 2 2 1 PGM O4 O -6.436 -1.206 16.011 1.00 . B A . 68 PGM O4 1 1 7 6826 2 2 1 PGM O5A O -8.038 -2.224 14.358 1.00 . B A . 68 PGM O5A 1 1 7 6827 2 2 1 PGM O5B O -7.182 0.141 14.038 1.00 . B A . 68 PGM O5B 1 1 7 6828 2 2 1 PGM O6 O -5.681 -1.810 13.663 1.00 . B A . 68 PGM O6 1 1 7 6829 2 2 1 PGM O8 O -3.417 -2.535 11.850 1.00 . B A . 68 PGM O8 1 1 7 6830 2 2 1 PGM OQ1 O -7.136 -0.567 8.979 1.00 . B A . 68 PGM OQ1 1 1 7 6831 2 2 1 PGM OQ2 O -5.125 -0.221 9.677 1.00 . B A . 68 PGM OQ2 1 1 7 6832 2 2 1 PGM P5 P -6.932 -1.247 14.486 1.00 . B A . 68 PGM P5 1 1 8 6833 1 1 1 ALA C C 12.811 5.083 0.537 1.00 . A A . 1 ALA C 1 1 8 6834 1 1 1 ALA CA C 12.282 6.265 1.342 1.00 . A A . 1 ALA CA 1 1 8 6835 1 1 1 ALA CB C 13.217 6.573 2.503 1.00 . A A . 1 ALA CB 1 1 8 6836 1 1 1 ALA H1 H 10.932 5.097 2.363 1.00 . A A . 1 ALA H1 1 1 8 6837 1 1 1 ALA H2 H 10.277 5.939 1.019 1.00 . A A . 1 ALA H2 1 1 8 6838 1 1 1 ALA H3 H 10.640 6.783 2.469 1.00 . A A . 1 ALA H3 1 1 8 6839 1 1 1 ALA HA H 12.246 7.135 0.702 1.00 . A A . 1 ALA HA 1 1 8 6840 1 1 1 ALA HB1 H 13.216 5.745 3.195 1.00 . A A . 1 ALA HB1 1 1 8 6841 1 1 1 ALA HB2 H 12.880 7.466 3.009 1.00 . A A . 1 ALA HB2 1 1 8 6842 1 1 1 ALA HB3 H 14.217 6.728 2.128 1.00 . A A . 1 ALA HB3 1 1 8 6843 1 1 1 ALA N N 10.909 5.997 1.844 1.00 . A A . 1 ALA N 1 1 8 6844 1 1 1 ALA O O 13.584 4.270 1.044 1.00 . A A . 1 ALA O 1 1 8 6845 1 1 2 CYS C C 12.675 4.310 -3.065 1.00 . A A . 2 CYS C 1 1 8 6846 1 1 2 CYS CA C 12.819 3.912 -1.598 1.00 . A A . 2 CYS CA 1 1 8 6847 1 1 2 CYS CB C 12.012 2.638 -1.321 1.00 . A A . 2 CYS CB 1 1 8 6848 1 1 2 CYS H H 11.773 5.675 -1.066 1.00 . A A . 2 CYS H 1 1 8 6849 1 1 2 CYS HA H 13.861 3.717 -1.394 1.00 . A A . 2 CYS HA 1 1 8 6850 1 1 2 CYS HB2 H 11.980 2.039 -2.218 1.00 . A A . 2 CYS HB2 1 1 8 6851 1 1 2 CYS HB3 H 12.501 2.075 -0.538 1.00 . A A . 2 CYS HB3 1 1 8 6852 1 1 2 CYS N N 12.389 4.995 -0.720 1.00 . A A . 2 CYS N 1 1 8 6853 1 1 2 CYS O O 13.656 4.343 -3.808 1.00 . A A . 2 CYS O 1 1 8 6854 1 1 2 CYS SG S 10.291 2.931 -0.796 1.00 . A A . 2 CYS SG 1 1 8 6855 1 1 3 GLN C C 9.834 5.720 -4.964 1.00 . A A . 3 GLN C 1 1 8 6856 1 1 3 GLN CA C 11.176 5.001 -4.853 1.00 . A A . 3 GLN CA 1 1 8 6857 1 1 3 GLN CB C 11.182 3.770 -5.757 1.00 . A A . 3 GLN CB 1 1 8 6858 1 1 3 GLN CD C 13.025 3.916 -7.477 1.00 . A A . 3 GLN CD 1 1 8 6859 1 1 3 GLN CG C 11.543 4.076 -7.201 1.00 . A A . 3 GLN CG 1 1 8 6860 1 1 3 GLN H H 10.705 4.562 -2.840 1.00 . A A . 3 GLN H 1 1 8 6861 1 1 3 GLN HA H 11.960 5.672 -5.168 1.00 . A A . 3 GLN HA 1 1 8 6862 1 1 3 GLN HB2 H 11.897 3.060 -5.371 1.00 . A A . 3 GLN HB2 1 1 8 6863 1 1 3 GLN HB3 H 10.199 3.322 -5.740 1.00 . A A . 3 GLN HB3 1 1 8 6864 1 1 3 GLN HE21 H 13.408 5.633 -6.551 1.00 . A A . 3 GLN HE21 1 1 8 6865 1 1 3 GLN HE22 H 14.782 4.804 -7.192 1.00 . A A . 3 GLN HE22 1 1 8 6866 1 1 3 GLN HG2 H 10.998 3.403 -7.846 1.00 . A A . 3 GLN HG2 1 1 8 6867 1 1 3 GLN HG3 H 11.258 5.094 -7.422 1.00 . A A . 3 GLN HG3 1 1 8 6868 1 1 3 GLN N N 11.446 4.609 -3.476 1.00 . A A . 3 GLN N 1 1 8 6869 1 1 3 GLN NE2 N 13.819 4.882 -7.028 1.00 . A A . 3 GLN NE2 1 1 8 6870 1 1 3 GLN O O 9.716 6.728 -5.660 1.00 . A A . 3 GLN O 1 1 8 6871 1 1 3 GLN OE1 O 13.453 2.935 -8.086 1.00 . A A . 3 GLN OE1 1 1 8 6872 1 1 4 ALA C C 6.817 5.577 -5.654 1.00 . A A . 4 ALA C 1 1 8 6873 1 1 4 ALA CA C 7.487 5.780 -4.298 1.00 . A A . 4 ALA CA 1 1 8 6874 1 1 4 ALA CB C 7.550 7.262 -3.955 1.00 . A A . 4 ALA CB 1 1 8 6875 1 1 4 ALA H H 8.981 4.386 -3.742 1.00 . A A . 4 ALA H 1 1 8 6876 1 1 4 ALA HA H 6.897 5.285 -3.540 1.00 . A A . 4 ALA HA 1 1 8 6877 1 1 4 ALA HB1 H 7.540 7.843 -4.866 1.00 . A A . 4 ALA HB1 1 1 8 6878 1 1 4 ALA HB2 H 8.457 7.467 -3.407 1.00 . A A . 4 ALA HB2 1 1 8 6879 1 1 4 ALA HB3 H 6.696 7.527 -3.349 1.00 . A A . 4 ALA HB3 1 1 8 6880 1 1 4 ALA N N 8.824 5.193 -4.276 1.00 . A A . 4 ALA N 1 1 8 6881 1 1 4 ALA O O 5.901 6.313 -6.020 1.00 . A A . 4 ALA O 1 1 8 6882 1 1 5 SER C C 6.190 2.848 -7.784 1.00 . A A . 5 SER C 1 1 8 6883 1 1 5 SER CA C 6.723 4.278 -7.713 1.00 . A A . 5 SER CA 1 1 8 6884 1 1 5 SER CB C 7.785 4.491 -8.794 1.00 . A A . 5 SER CB 1 1 8 6885 1 1 5 SER H H 8.013 4.024 -6.053 1.00 . A A . 5 SER H 1 1 8 6886 1 1 5 SER HA H 5.906 4.962 -7.888 1.00 . A A . 5 SER HA 1 1 8 6887 1 1 5 SER HB2 H 8.558 5.141 -8.414 1.00 . A A . 5 SER HB2 1 1 8 6888 1 1 5 SER HB3 H 8.217 3.538 -9.064 1.00 . A A . 5 SER HB3 1 1 8 6889 1 1 5 SER HG H 7.909 5.538 -10.445 1.00 . A A . 5 SER HG 1 1 8 6890 1 1 5 SER N N 7.279 4.575 -6.397 1.00 . A A . 5 SER N 1 1 8 6891 1 1 5 SER O O 5.382 2.522 -8.653 1.00 . A A . 5 SER O 1 1 8 6892 1 1 5 SER OG O 7.223 5.081 -9.953 1.00 . A A . 5 SER OG 1 1 8 6893 1 1 6 GLN C C 4.810 0.466 -6.276 1.00 . A A . 6 GLN C 1 1 8 6894 1 1 6 GLN CA C 6.223 0.607 -6.839 1.00 . A A . 6 GLN CA 1 1 8 6895 1 1 6 GLN CB C 7.200 -0.225 -6.006 1.00 . A A . 6 GLN CB 1 1 8 6896 1 1 6 GLN CD C 8.828 -1.542 -7.419 1.00 . A A . 6 GLN CD 1 1 8 6897 1 1 6 GLN CG C 8.599 -0.289 -6.596 1.00 . A A . 6 GLN CG 1 1 8 6898 1 1 6 GLN H H 7.290 2.299 -6.210 1.00 . A A . 6 GLN H 1 1 8 6899 1 1 6 GLN HA H 6.234 0.248 -7.849 1.00 . A A . 6 GLN HA 1 1 8 6900 1 1 6 GLN HB2 H 7.268 0.204 -5.016 1.00 . A A . 6 GLN HB2 1 1 8 6901 1 1 6 GLN HB3 H 6.819 -1.232 -5.927 1.00 . A A . 6 GLN HB3 1 1 8 6902 1 1 6 GLN HE21 H 8.517 -0.526 -9.100 1.00 . A A . 6 GLN HE21 1 1 8 6903 1 1 6 GLN HE22 H 8.873 -2.205 -9.293 1.00 . A A . 6 GLN HE22 1 1 8 6904 1 1 6 GLN HG2 H 8.749 0.572 -7.231 1.00 . A A . 6 GLN HG2 1 1 8 6905 1 1 6 GLN HG3 H 9.317 -0.269 -5.790 1.00 . A A . 6 GLN HG3 1 1 8 6906 1 1 6 GLN N N 6.649 1.994 -6.871 1.00 . A A . 6 GLN N 1 1 8 6907 1 1 6 GLN NE2 N 8.729 -1.411 -8.737 1.00 . A A . 6 GLN NE2 1 1 8 6908 1 1 6 GLN O O 4.240 -0.625 -6.280 1.00 . A A . 6 GLN O 1 1 8 6909 1 1 6 GLN OE1 O 9.091 -2.615 -6.877 1.00 . A A . 6 GLN OE1 1 1 8 6910 1 1 7 LEU C C 1.944 2.416 -6.003 1.00 . A A . 7 LEU C 1 1 8 6911 1 1 7 LEU CA C 2.913 1.547 -5.203 1.00 . A A . 7 LEU CA 1 1 8 6912 1 1 7 LEU CB C 2.964 2.019 -3.749 1.00 . A A . 7 LEU CB 1 1 8 6913 1 1 7 LEU CD1 C 4.341 2.419 -1.690 1.00 . A A . 7 LEU CD1 1 1 8 6914 1 1 7 LEU CD2 C 4.269 0.140 -2.720 1.00 . A A . 7 LEU CD2 1 1 8 6915 1 1 7 LEU CG C 4.239 1.638 -2.991 1.00 . A A . 7 LEU CG 1 1 8 6916 1 1 7 LEU H H 4.755 2.407 -5.792 1.00 . A A . 7 LEU H 1 1 8 6917 1 1 7 LEU HA H 2.561 0.527 -5.225 1.00 . A A . 7 LEU HA 1 1 8 6918 1 1 7 LEU HB2 H 2.871 3.095 -3.738 1.00 . A A . 7 LEU HB2 1 1 8 6919 1 1 7 LEU HB3 H 2.121 1.596 -3.224 1.00 . A A . 7 LEU HB3 1 1 8 6920 1 1 7 LEU HD11 H 3.835 3.366 -1.799 1.00 . A A . 7 LEU HD11 1 1 8 6921 1 1 7 LEU HD12 H 5.381 2.590 -1.454 1.00 . A A . 7 LEU HD12 1 1 8 6922 1 1 7 LEU HD13 H 3.880 1.854 -0.894 1.00 . A A . 7 LEU HD13 1 1 8 6923 1 1 7 LEU HD21 H 4.791 -0.048 -1.794 1.00 . A A . 7 LEU HD21 1 1 8 6924 1 1 7 LEU HD22 H 4.779 -0.363 -3.529 1.00 . A A . 7 LEU HD22 1 1 8 6925 1 1 7 LEU HD23 H 3.258 -0.233 -2.645 1.00 . A A . 7 LEU HD23 1 1 8 6926 1 1 7 LEU HG H 5.100 1.886 -3.599 1.00 . A A . 7 LEU HG 1 1 8 6927 1 1 7 LEU N N 4.253 1.567 -5.780 1.00 . A A . 7 LEU N 1 1 8 6928 1 1 7 LEU O O 0.728 2.244 -5.911 1.00 . A A . 7 LEU O 1 1 8 6929 1 1 8 ALA C C 0.617 3.460 -8.390 1.00 . A A . 8 ALA C 1 1 8 6930 1 1 8 ALA CA C 1.656 4.238 -7.595 1.00 . A A . 8 ALA CA 1 1 8 6931 1 1 8 ALA CB C 2.527 5.066 -8.528 1.00 . A A . 8 ALA CB 1 1 8 6932 1 1 8 ALA H H 3.455 3.444 -6.820 1.00 . A A . 8 ALA H 1 1 8 6933 1 1 8 ALA HA H 1.150 4.907 -6.930 1.00 . A A . 8 ALA HA 1 1 8 6934 1 1 8 ALA HB1 H 3.476 5.265 -8.053 1.00 . A A . 8 ALA HB1 1 1 8 6935 1 1 8 ALA HB2 H 2.032 6.000 -8.749 1.00 . A A . 8 ALA HB2 1 1 8 6936 1 1 8 ALA HB3 H 2.691 4.520 -9.446 1.00 . A A . 8 ALA HB3 1 1 8 6937 1 1 8 ALA N N 2.482 3.349 -6.786 1.00 . A A . 8 ALA N 1 1 8 6938 1 1 8 ALA O O -0.571 3.780 -8.370 1.00 . A A . 8 ALA O 1 1 8 6939 1 1 9 VAL C C -0.902 0.979 -9.061 1.00 . A A . 9 VAL C 1 1 8 6940 1 1 9 VAL CA C 0.215 1.598 -9.898 1.00 . A A . 9 VAL CA 1 1 8 6941 1 1 9 VAL CB C 1.013 0.473 -10.588 1.00 . A A . 9 VAL CB 1 1 8 6942 1 1 9 VAL CG1 C 1.661 -0.438 -9.557 1.00 . A A . 9 VAL CG1 1 1 8 6943 1 1 9 VAL CG2 C 0.118 -0.322 -11.527 1.00 . A A . 9 VAL CG2 1 1 8 6944 1 1 9 VAL H H 2.035 2.248 -9.055 1.00 . A A . 9 VAL H 1 1 8 6945 1 1 9 VAL HA H -0.221 2.219 -10.658 1.00 . A A . 9 VAL HA 1 1 8 6946 1 1 9 VAL HB H 1.798 0.927 -11.175 1.00 . A A . 9 VAL HB 1 1 8 6947 1 1 9 VAL HG11 H 0.920 -0.748 -8.834 1.00 . A A . 9 VAL HG11 1 1 8 6948 1 1 9 VAL HG12 H 2.454 0.095 -9.053 1.00 . A A . 9 VAL HG12 1 1 8 6949 1 1 9 VAL HG13 H 2.069 -1.308 -10.050 1.00 . A A . 9 VAL HG13 1 1 8 6950 1 1 9 VAL HG21 H 0.725 -0.816 -12.271 1.00 . A A . 9 VAL HG21 1 1 8 6951 1 1 9 VAL HG22 H -0.577 0.345 -12.014 1.00 . A A . 9 VAL HG22 1 1 8 6952 1 1 9 VAL HG23 H -0.430 -1.062 -10.961 1.00 . A A . 9 VAL HG23 1 1 8 6953 1 1 9 VAL N N 1.082 2.439 -9.087 1.00 . A A . 9 VAL N 1 1 8 6954 1 1 9 VAL O O -1.947 0.595 -9.586 1.00 . A A . 9 VAL O 1 1 8 6955 1 1 10 CYS C C -2.705 1.343 -6.469 1.00 . A A . 10 CYS C 1 1 8 6956 1 1 10 CYS CA C -1.651 0.311 -6.842 1.00 . A A . 10 CYS CA 1 1 8 6957 1 1 10 CYS CB C -0.957 -0.183 -5.577 1.00 . A A . 10 CYS CB 1 1 8 6958 1 1 10 CYS H H 0.182 1.207 -7.401 1.00 . A A . 10 CYS H 1 1 8 6959 1 1 10 CYS HA H -2.128 -0.522 -7.335 1.00 . A A . 10 CYS HA 1 1 8 6960 1 1 10 CYS HB2 H 0.024 -0.547 -5.835 1.00 . A A . 10 CYS HB2 1 1 8 6961 1 1 10 CYS HB3 H -0.859 0.644 -4.885 1.00 . A A . 10 CYS HB3 1 1 8 6962 1 1 10 CYS N N -0.671 0.885 -7.757 1.00 . A A . 10 CYS N 1 1 8 6963 1 1 10 CYS O O -3.870 1.012 -6.249 1.00 . A A . 10 CYS O 1 1 8 6964 1 1 10 CYS SG S -1.845 -1.520 -4.715 1.00 . A A . 10 CYS SG 1 1 8 6965 1 1 11 ALA C C -4.487 3.613 -6.795 1.00 . A A . 11 ALA C 1 1 8 6966 1 1 11 ALA CA C -3.165 3.702 -6.044 1.00 . A A . 11 ALA CA 1 1 8 6967 1 1 11 ALA CB C -2.486 5.035 -6.323 1.00 . A A . 11 ALA CB 1 1 8 6968 1 1 11 ALA H H -1.335 2.784 -6.579 1.00 . A A . 11 ALA H 1 1 8 6969 1 1 11 ALA HA H -3.362 3.641 -4.989 1.00 . A A . 11 ALA HA 1 1 8 6970 1 1 11 ALA HB1 H -2.828 5.421 -7.272 1.00 . A A . 11 ALA HB1 1 1 8 6971 1 1 11 ALA HB2 H -1.416 4.893 -6.357 1.00 . A A . 11 ALA HB2 1 1 8 6972 1 1 11 ALA HB3 H -2.733 5.736 -5.540 1.00 . A A . 11 ALA HB3 1 1 8 6973 1 1 11 ALA N N -2.277 2.598 -6.395 1.00 . A A . 11 ALA N 1 1 8 6974 1 1 11 ALA O O -5.525 4.063 -6.309 1.00 . A A . 11 ALA O 1 1 8 6975 1 1 12 SER C C -6.731 2.147 -8.042 1.00 . A A . 12 SER C 1 1 8 6976 1 1 12 SER CA C -5.624 2.865 -8.809 1.00 . A A . 12 SER CA 1 1 8 6977 1 1 12 SER CB C -5.282 2.088 -10.082 1.00 . A A . 12 SER CB 1 1 8 6978 1 1 12 SER H H -3.582 2.690 -8.306 1.00 . A A . 12 SER H 1 1 8 6979 1 1 12 SER HA H -5.966 3.849 -9.081 1.00 . A A . 12 SER HA 1 1 8 6980 1 1 12 SER HB2 H -4.428 1.454 -9.896 1.00 . A A . 12 SER HB2 1 1 8 6981 1 1 12 SER HB3 H -6.127 1.478 -10.367 1.00 . A A . 12 SER HB3 1 1 8 6982 1 1 12 SER HG H -4.062 3.259 -11.071 1.00 . A A . 12 SER HG 1 1 8 6983 1 1 12 SER N N -4.438 3.024 -7.981 1.00 . A A . 12 SER N 1 1 8 6984 1 1 12 SER O O -7.890 2.560 -8.072 1.00 . A A . 12 SER O 1 1 8 6985 1 1 12 SER OG O -4.973 2.967 -11.150 1.00 . A A . 12 SER OG 1 1 8 6986 1 1 13 ALA C C -7.620 0.957 -5.243 1.00 . A A . 13 ALA C 1 1 8 6987 1 1 13 ALA CA C -7.317 0.291 -6.582 1.00 . A A . 13 ALA CA 1 1 8 6988 1 1 13 ALA CB C -6.792 -1.121 -6.365 1.00 . A A . 13 ALA CB 1 1 8 6989 1 1 13 ALA H H -5.428 0.791 -7.374 1.00 . A A . 13 ALA H 1 1 8 6990 1 1 13 ALA HA H -8.227 0.226 -7.156 1.00 . A A . 13 ALA HA 1 1 8 6991 1 1 13 ALA HB1 H -7.165 -1.767 -7.147 1.00 . A A . 13 ALA HB1 1 1 8 6992 1 1 13 ALA HB2 H -7.128 -1.486 -5.406 1.00 . A A . 13 ALA HB2 1 1 8 6993 1 1 13 ALA HB3 H -5.713 -1.111 -6.390 1.00 . A A . 13 ALA HB3 1 1 8 6994 1 1 13 ALA N N -6.363 1.069 -7.356 1.00 . A A . 13 ALA N 1 1 8 6995 1 1 13 ALA O O -8.704 0.788 -4.687 1.00 . A A . 13 ALA O 1 1 8 6996 1 1 14 ILE C C -7.832 3.547 -3.588 1.00 . A A . 14 ILE C 1 1 8 6997 1 1 14 ILE CA C -6.826 2.404 -3.455 1.00 . A A . 14 ILE CA 1 1 8 6998 1 1 14 ILE CB C -5.477 2.957 -2.932 1.00 . A A . 14 ILE CB 1 1 8 6999 1 1 14 ILE CD1 C -3.736 1.130 -3.276 1.00 . A A . 14 ILE CD1 1 1 8 7000 1 1 14 ILE CG1 C -4.647 1.838 -2.296 1.00 . A A . 14 ILE CG1 1 1 8 7001 1 1 14 ILE CG2 C -5.694 4.083 -1.929 1.00 . A A . 14 ILE CG2 1 1 8 7002 1 1 14 ILE H H -5.812 1.814 -5.217 1.00 . A A . 14 ILE H 1 1 8 7003 1 1 14 ILE HA H -7.201 1.689 -2.737 1.00 . A A . 14 ILE HA 1 1 8 7004 1 1 14 ILE HB H -4.932 3.361 -3.772 1.00 . A A . 14 ILE HB 1 1 8 7005 1 1 14 ILE HD11 H -3.335 1.846 -3.978 1.00 . A A . 14 ILE HD11 1 1 8 7006 1 1 14 ILE HD12 H -4.296 0.377 -3.811 1.00 . A A . 14 ILE HD12 1 1 8 7007 1 1 14 ILE HD13 H -2.925 0.660 -2.739 1.00 . A A . 14 ILE HD13 1 1 8 7008 1 1 14 ILE HG12 H -4.030 2.258 -1.514 1.00 . A A . 14 ILE HG12 1 1 8 7009 1 1 14 ILE HG13 H -5.313 1.101 -1.867 1.00 . A A . 14 ILE HG13 1 1 8 7010 1 1 14 ILE HG21 H -6.158 4.924 -2.423 1.00 . A A . 14 ILE HG21 1 1 8 7011 1 1 14 ILE HG22 H -4.743 4.387 -1.520 1.00 . A A . 14 ILE HG22 1 1 8 7012 1 1 14 ILE HG23 H -6.334 3.736 -1.131 1.00 . A A . 14 ILE HG23 1 1 8 7013 1 1 14 ILE N N -6.656 1.715 -4.728 1.00 . A A . 14 ILE N 1 1 8 7014 1 1 14 ILE O O -8.885 3.539 -2.950 1.00 . A A . 14 ILE O 1 1 8 7015 1 1 15 LEU C C -9.618 5.304 -5.397 1.00 . A A . 15 LEU C 1 1 8 7016 1 1 15 LEU CA C -8.358 5.687 -4.625 1.00 . A A . 15 LEU CA 1 1 8 7017 1 1 15 LEU CB C -7.600 6.783 -5.375 1.00 . A A . 15 LEU CB 1 1 8 7018 1 1 15 LEU CD1 C -5.281 7.721 -5.564 1.00 . A A . 15 LEU CD1 1 1 8 7019 1 1 15 LEU CD2 C -6.864 8.638 -3.858 1.00 . A A . 15 LEU CD2 1 1 8 7020 1 1 15 LEU CG C -6.422 7.393 -4.613 1.00 . A A . 15 LEU CG 1 1 8 7021 1 1 15 LEU H H -6.637 4.481 -4.889 1.00 . A A . 15 LEU H 1 1 8 7022 1 1 15 LEU HA H -8.647 6.063 -3.656 1.00 . A A . 15 LEU HA 1 1 8 7023 1 1 15 LEU HB2 H -7.227 6.366 -6.300 1.00 . A A . 15 LEU HB2 1 1 8 7024 1 1 15 LEU HB3 H -8.295 7.575 -5.612 1.00 . A A . 15 LEU HB3 1 1 8 7025 1 1 15 LEU HD11 H -4.516 8.267 -5.033 1.00 . A A . 15 LEU HD11 1 1 8 7026 1 1 15 LEU HD12 H -5.654 8.323 -6.379 1.00 . A A . 15 LEU HD12 1 1 8 7027 1 1 15 LEU HD13 H -4.864 6.804 -5.954 1.00 . A A . 15 LEU HD13 1 1 8 7028 1 1 15 LEU HD21 H -6.349 8.686 -2.910 1.00 . A A . 15 LEU HD21 1 1 8 7029 1 1 15 LEU HD22 H -7.930 8.595 -3.687 1.00 . A A . 15 LEU HD22 1 1 8 7030 1 1 15 LEU HD23 H -6.628 9.515 -4.441 1.00 . A A . 15 LEU HD23 1 1 8 7031 1 1 15 LEU HG H -6.059 6.675 -3.891 1.00 . A A . 15 LEU HG 1 1 8 7032 1 1 15 LEU N N -7.493 4.531 -4.414 1.00 . A A . 15 LEU N 1 1 8 7033 1 1 15 LEU O O -10.704 5.213 -4.824 1.00 . A A . 15 LEU O 1 1 8 7034 1 1 16 SER C C -11.343 3.514 -6.991 1.00 . A A . 16 SER C 1 1 8 7035 1 1 16 SER CA C -10.595 4.721 -7.552 1.00 . A A . 16 SER CA 1 1 8 7036 1 1 16 SER CB C -10.110 4.422 -8.973 1.00 . A A . 16 SER CB 1 1 8 7037 1 1 16 SER H H -8.578 5.179 -7.100 1.00 . A A . 16 SER H 1 1 8 7038 1 1 16 SER HA H -11.271 5.562 -7.584 1.00 . A A . 16 SER HA 1 1 8 7039 1 1 16 SER HB2 H -9.043 4.254 -8.959 1.00 . A A . 16 SER HB2 1 1 8 7040 1 1 16 SER HB3 H -10.608 3.538 -9.345 1.00 . A A . 16 SER HB3 1 1 8 7041 1 1 16 SER HG H -11.111 5.265 -10.430 1.00 . A A . 16 SER HG 1 1 8 7042 1 1 16 SER N N -9.468 5.087 -6.700 1.00 . A A . 16 SER N 1 1 8 7043 1 1 16 SER O O -12.513 3.614 -6.621 1.00 . A A . 16 SER O 1 1 8 7044 1 1 16 SER OG O -10.388 5.504 -9.845 1.00 . A A . 16 SER OG 1 1 8 7045 1 1 17 GLY C C -11.863 0.304 -7.525 1.00 . A A . 17 GLY C 1 1 8 7046 1 1 17 GLY CA C -11.282 1.167 -6.422 1.00 . A A . 17 GLY CA 1 1 8 7047 1 1 17 GLY H H -9.734 2.353 -7.247 1.00 . A A . 17 GLY H 1 1 8 7048 1 1 17 GLY HA2 H -10.541 0.595 -5.885 1.00 . A A . 17 GLY HA2 1 1 8 7049 1 1 17 GLY HA3 H -12.073 1.442 -5.741 1.00 . A A . 17 GLY HA3 1 1 8 7050 1 1 17 GLY N N -10.662 2.374 -6.936 1.00 . A A . 17 GLY N 1 1 8 7051 1 1 17 GLY O O -12.876 -0.367 -7.330 1.00 . A A . 17 GLY O 1 1 8 7052 1 1 18 ALA C C -11.564 -1.948 -9.549 1.00 . A A . 18 ALA C 1 1 8 7053 1 1 18 ALA CA C -11.675 -0.458 -9.827 1.00 . A A . 18 ALA CA 1 1 8 7054 1 1 18 ALA CB C -10.878 -0.091 -11.070 1.00 . A A . 18 ALA CB 1 1 8 7055 1 1 18 ALA H H -10.418 0.880 -8.780 1.00 . A A . 18 ALA H 1 1 8 7056 1 1 18 ALA HA H -12.703 -0.216 -10.004 1.00 . A A . 18 ALA HA 1 1 8 7057 1 1 18 ALA HB1 H -11.306 0.790 -11.525 1.00 . A A . 18 ALA HB1 1 1 8 7058 1 1 18 ALA HB2 H -10.907 -0.911 -11.772 1.00 . A A . 18 ALA HB2 1 1 8 7059 1 1 18 ALA HB3 H -9.853 0.110 -10.793 1.00 . A A . 18 ALA HB3 1 1 8 7060 1 1 18 ALA N N -11.219 0.325 -8.687 1.00 . A A . 18 ALA N 1 1 8 7061 1 1 18 ALA O O -12.532 -2.696 -9.685 1.00 . A A . 18 ALA O 1 1 8 7062 1 1 19 LYS C C -8.641 -3.964 -8.465 1.00 . A A . 19 LYS C 1 1 8 7063 1 1 19 LYS CA C -10.104 -3.766 -8.853 1.00 . A A . 19 LYS CA 1 1 8 7064 1 1 19 LYS CB C -10.449 -4.655 -10.053 1.00 . A A . 19 LYS CB 1 1 8 7065 1 1 19 LYS CD C -8.676 -3.556 -11.459 1.00 . A A . 19 LYS CD 1 1 8 7066 1 1 19 LYS CE C -8.253 -3.234 -12.883 1.00 . A A . 19 LYS CE 1 1 8 7067 1 1 19 LYS CG C -10.120 -4.028 -11.399 1.00 . A A . 19 LYS CG 1 1 8 7068 1 1 19 LYS H H -9.655 -1.709 -9.074 1.00 . A A . 19 LYS H 1 1 8 7069 1 1 19 LYS HA H -10.727 -4.048 -8.017 1.00 . A A . 19 LYS HA 1 1 8 7070 1 1 19 LYS HB2 H -9.900 -5.581 -9.969 1.00 . A A . 19 LYS HB2 1 1 8 7071 1 1 19 LYS HB3 H -11.507 -4.873 -10.031 1.00 . A A . 19 LYS HB3 1 1 8 7072 1 1 19 LYS HD2 H -8.572 -2.667 -10.854 1.00 . A A . 19 LYS HD2 1 1 8 7073 1 1 19 LYS HD3 H -8.036 -4.335 -11.070 1.00 . A A . 19 LYS HD3 1 1 8 7074 1 1 19 LYS HE2 H -7.216 -2.933 -12.878 1.00 . A A . 19 LYS HE2 1 1 8 7075 1 1 19 LYS HE3 H -8.367 -4.122 -13.488 1.00 . A A . 19 LYS HE3 1 1 8 7076 1 1 19 LYS HG2 H -10.279 -4.761 -12.176 1.00 . A A . 19 LYS HG2 1 1 8 7077 1 1 19 LYS HG3 H -10.772 -3.182 -11.561 1.00 . A A . 19 LYS HG3 1 1 8 7078 1 1 19 LYS HZ1 H -9.128 -1.338 -12.808 1.00 . A A . 19 LYS HZ1 1 1 8 7079 1 1 19 LYS HZ2 H -10.033 -2.477 -13.670 1.00 . A A . 19 LYS HZ2 1 1 8 7080 1 1 19 LYS HZ3 H -8.641 -1.808 -14.359 1.00 . A A . 19 LYS HZ3 1 1 8 7081 1 1 19 LYS N N -10.373 -2.365 -9.159 1.00 . A A . 19 LYS N 1 1 8 7082 1 1 19 LYS NZ N -9.071 -2.138 -13.471 1.00 . A A . 19 LYS NZ 1 1 8 7083 1 1 19 LYS O O -7.783 -3.154 -8.816 1.00 . A A . 19 LYS O 1 1 8 7084 1 1 20 PRO C C -6.067 -5.740 -8.472 1.00 . A A . 20 PRO C 1 1 8 7085 1 1 20 PRO CA C -6.965 -5.348 -7.304 1.00 . A A . 20 PRO CA 1 1 8 7086 1 1 20 PRO CB C -7.140 -6.527 -6.344 1.00 . A A . 20 PRO CB 1 1 8 7087 1 1 20 PRO CD C -9.294 -6.070 -7.273 1.00 . A A . 20 PRO CD 1 1 8 7088 1 1 20 PRO CG C -8.410 -7.178 -6.771 1.00 . A A . 20 PRO CG 1 1 8 7089 1 1 20 PRO HA H -6.525 -4.513 -6.777 1.00 . A A . 20 PRO HA 1 1 8 7090 1 1 20 PRO HB2 H -6.300 -7.199 -6.439 1.00 . A A . 20 PRO HB2 1 1 8 7091 1 1 20 PRO HB3 H -7.206 -6.163 -5.330 1.00 . A A . 20 PRO HB3 1 1 8 7092 1 1 20 PRO HD2 H -9.909 -6.419 -8.090 1.00 . A A . 20 PRO HD2 1 1 8 7093 1 1 20 PRO HD3 H -9.910 -5.686 -6.473 1.00 . A A . 20 PRO HD3 1 1 8 7094 1 1 20 PRO HG2 H -8.212 -7.887 -7.561 1.00 . A A . 20 PRO HG2 1 1 8 7095 1 1 20 PRO HG3 H -8.871 -7.672 -5.929 1.00 . A A . 20 PRO HG3 1 1 8 7096 1 1 20 PRO N N -8.334 -5.050 -7.735 1.00 . A A . 20 PRO N 1 1 8 7097 1 1 20 PRO O O -6.505 -5.768 -9.622 1.00 . A A . 20 PRO O 1 1 8 7098 1 1 21 SER C C -2.641 -7.123 -8.575 1.00 . A A . 21 SER C 1 1 8 7099 1 1 21 SER CA C -3.853 -6.436 -9.195 1.00 . A A . 21 SER CA 1 1 8 7100 1 1 21 SER CB C -3.405 -5.216 -10.002 1.00 . A A . 21 SER CB 1 1 8 7101 1 1 21 SER H H -4.517 -6.006 -7.238 1.00 . A A . 21 SER H 1 1 8 7102 1 1 21 SER HA H -4.347 -7.130 -9.852 1.00 . A A . 21 SER HA 1 1 8 7103 1 1 21 SER HB2 H -2.449 -4.874 -9.635 1.00 . A A . 21 SER HB2 1 1 8 7104 1 1 21 SER HB3 H -3.314 -5.490 -11.043 1.00 . A A . 21 SER HB3 1 1 8 7105 1 1 21 SER HG H -4.032 -3.402 -10.396 1.00 . A A . 21 SER HG 1 1 8 7106 1 1 21 SER N N -4.809 -6.044 -8.170 1.00 . A A . 21 SER N 1 1 8 7107 1 1 21 SER O O -2.038 -6.611 -7.632 1.00 . A A . 21 SER O 1 1 8 7108 1 1 21 SER OG O -4.340 -4.157 -9.889 1.00 . A A . 21 SER OG 1 1 8 7109 1 1 22 GLY C C 0.129 -8.216 -8.636 1.00 . A A . 22 GLY C 1 1 8 7110 1 1 22 GLY CA C -1.151 -9.027 -8.600 1.00 . A A . 22 GLY CA 1 1 8 7111 1 1 22 GLY H H -2.808 -8.647 -9.862 1.00 . A A . 22 GLY H 1 1 8 7112 1 1 22 GLY HA2 H -1.353 -9.316 -7.579 1.00 . A A . 22 GLY HA2 1 1 8 7113 1 1 22 GLY HA3 H -1.017 -9.918 -9.196 1.00 . A A . 22 GLY HA3 1 1 8 7114 1 1 22 GLY N N -2.290 -8.288 -9.112 1.00 . A A . 22 GLY N 1 1 8 7115 1 1 22 GLY O O 1.025 -8.421 -7.819 1.00 . A A . 22 GLY O 1 1 8 7116 1 1 23 GLU C C 1.697 -5.717 -8.438 1.00 . A A . 23 GLU C 1 1 8 7117 1 1 23 GLU CA C 1.383 -6.448 -9.739 1.00 . A A . 23 GLU CA 1 1 8 7118 1 1 23 GLU CB C 1.139 -5.443 -10.859 1.00 . A A . 23 GLU CB 1 1 8 7119 1 1 23 GLU CD C 2.382 -3.483 -11.844 1.00 . A A . 23 GLU CD 1 1 8 7120 1 1 23 GLU CG C 2.412 -4.962 -11.513 1.00 . A A . 23 GLU CG 1 1 8 7121 1 1 23 GLU H H -0.526 -7.176 -10.214 1.00 . A A . 23 GLU H 1 1 8 7122 1 1 23 GLU HA H 2.221 -7.076 -10.003 1.00 . A A . 23 GLU HA 1 1 8 7123 1 1 23 GLU HB2 H 0.521 -5.906 -11.617 1.00 . A A . 23 GLU HB2 1 1 8 7124 1 1 23 GLU HB3 H 0.620 -4.585 -10.452 1.00 . A A . 23 GLU HB3 1 1 8 7125 1 1 23 GLU HG2 H 3.233 -5.152 -10.841 1.00 . A A . 23 GLU HG2 1 1 8 7126 1 1 23 GLU HG3 H 2.555 -5.520 -12.423 1.00 . A A . 23 GLU HG3 1 1 8 7127 1 1 23 GLU N N 0.215 -7.292 -9.590 1.00 . A A . 23 GLU N 1 1 8 7128 1 1 23 GLU O O 2.844 -5.685 -7.991 1.00 . A A . 23 GLU O 1 1 8 7129 1 1 23 GLU OE1 O 1.305 -2.984 -12.235 1.00 . A A . 23 GLU OE1 1 1 8 7130 1 1 23 GLU OE2 O 3.434 -2.823 -11.713 1.00 . A A . 23 GLU OE2 1 1 8 7131 1 1 24 CYS C C 1.488 -5.264 -5.522 1.00 . A A . 24 CYS C 1 1 8 7132 1 1 24 CYS CA C 0.827 -4.395 -6.586 1.00 . A A . 24 CYS CA 1 1 8 7133 1 1 24 CYS CB C -0.529 -3.891 -6.084 1.00 . A A . 24 CYS CB 1 1 8 7134 1 1 24 CYS H H -0.219 -5.187 -8.241 1.00 . A A . 24 CYS H 1 1 8 7135 1 1 24 CYS HA H 1.461 -3.553 -6.786 1.00 . A A . 24 CYS HA 1 1 8 7136 1 1 24 CYS HB2 H -0.956 -3.231 -6.825 1.00 . A A . 24 CYS HB2 1 1 8 7137 1 1 24 CYS HB3 H -1.188 -4.736 -5.940 1.00 . A A . 24 CYS HB3 1 1 8 7138 1 1 24 CYS N N 0.667 -5.129 -7.835 1.00 . A A . 24 CYS N 1 1 8 7139 1 1 24 CYS O O 2.197 -4.766 -4.648 1.00 . A A . 24 CYS O 1 1 8 7140 1 1 24 CYS SG S -0.445 -2.976 -4.510 1.00 . A A . 24 CYS SG 1 1 8 7141 1 1 25 CYS C C 3.289 -7.767 -4.973 1.00 . A A . 25 CYS C 1 1 8 7142 1 1 25 CYS CA C 1.817 -7.514 -4.660 1.00 . A A . 25 CYS CA 1 1 8 7143 1 1 25 CYS CB C 1.029 -8.828 -4.698 1.00 . A A . 25 CYS CB 1 1 8 7144 1 1 25 CYS H H 0.677 -6.892 -6.331 1.00 . A A . 25 CYS H 1 1 8 7145 1 1 25 CYS HA H 1.739 -7.085 -3.673 1.00 . A A . 25 CYS HA 1 1 8 7146 1 1 25 CYS HB2 H 0.035 -8.651 -4.315 1.00 . A A . 25 CYS HB2 1 1 8 7147 1 1 25 CYS HB3 H 0.957 -9.164 -5.722 1.00 . A A . 25 CYS HB3 1 1 8 7148 1 1 25 CYS N N 1.249 -6.564 -5.608 1.00 . A A . 25 CYS N 1 1 8 7149 1 1 25 CYS O O 4.106 -7.937 -4.068 1.00 . A A . 25 CYS O 1 1 8 7150 1 1 25 CYS SG S 1.759 -10.183 -3.721 1.00 . A A . 25 CYS SG 1 1 8 7151 1 1 26 GLY C C 5.845 -6.768 -6.568 1.00 . A A . 26 GLY C 1 1 8 7152 1 1 26 GLY CA C 4.990 -8.016 -6.672 1.00 . A A . 26 GLY CA 1 1 8 7153 1 1 26 GLY H H 2.924 -7.644 -6.936 1.00 . A A . 26 GLY H 1 1 8 7154 1 1 26 GLY HA2 H 5.419 -8.785 -6.046 1.00 . A A . 26 GLY HA2 1 1 8 7155 1 1 26 GLY HA3 H 4.995 -8.358 -7.696 1.00 . A A . 26 GLY HA3 1 1 8 7156 1 1 26 GLY N N 3.618 -7.788 -6.260 1.00 . A A . 26 GLY N 1 1 8 7157 1 1 26 GLY O O 7.044 -6.848 -6.305 1.00 . A A . 26 GLY O 1 1 8 7158 1 1 27 ASN C C 6.422 -4.064 -5.307 1.00 . A A . 27 ASN C 1 1 8 7159 1 1 27 ASN CA C 5.937 -4.344 -6.716 1.00 . A A . 27 ASN CA 1 1 8 7160 1 1 27 ASN CB C 5.041 -3.204 -7.202 1.00 . A A . 27 ASN CB 1 1 8 7161 1 1 27 ASN CG C 4.711 -3.319 -8.677 1.00 . A A . 27 ASN CG 1 1 8 7162 1 1 27 ASN H H 4.277 -5.606 -6.993 1.00 . A A . 27 ASN H 1 1 8 7163 1 1 27 ASN HA H 6.784 -4.420 -7.355 1.00 . A A . 27 ASN HA 1 1 8 7164 1 1 27 ASN HB2 H 4.117 -3.216 -6.643 1.00 . A A . 27 ASN HB2 1 1 8 7165 1 1 27 ASN HB3 H 5.545 -2.263 -7.037 1.00 . A A . 27 ASN HB3 1 1 8 7166 1 1 27 ASN HD21 H 6.610 -2.975 -9.152 1.00 . A A . 27 ASN HD21 1 1 8 7167 1 1 27 ASN HD22 H 5.537 -3.227 -10.482 1.00 . A A . 27 ASN HD22 1 1 8 7168 1 1 27 ASN N N 5.227 -5.610 -6.781 1.00 . A A . 27 ASN N 1 1 8 7169 1 1 27 ASN ND2 N 5.721 -3.157 -9.522 1.00 . A A . 27 ASN ND2 1 1 8 7170 1 1 27 ASN O O 7.622 -3.944 -5.062 1.00 . A A . 27 ASN O 1 1 8 7171 1 1 27 ASN OD1 O 3.561 -3.550 -9.052 1.00 . A A . 27 ASN OD1 1 1 8 7172 1 1 28 LEU C C 6.880 -4.673 -2.504 1.00 . A A . 28 LEU C 1 1 8 7173 1 1 28 LEU CA C 5.810 -3.704 -2.991 1.00 . A A . 28 LEU CA 1 1 8 7174 1 1 28 LEU CB C 4.566 -3.805 -2.109 1.00 . A A . 28 LEU CB 1 1 8 7175 1 1 28 LEU CD1 C 4.677 -5.942 -0.803 1.00 . A A . 28 LEU CD1 1 1 8 7176 1 1 28 LEU CD2 C 2.495 -5.168 -1.759 1.00 . A A . 28 LEU CD2 1 1 8 7177 1 1 28 LEU CG C 4.003 -5.214 -1.958 1.00 . A A . 28 LEU CG 1 1 8 7178 1 1 28 LEU H H 4.551 -4.073 -4.649 1.00 . A A . 28 LEU H 1 1 8 7179 1 1 28 LEU HA H 6.198 -2.707 -2.934 1.00 . A A . 28 LEU HA 1 1 8 7180 1 1 28 LEU HB2 H 4.815 -3.431 -1.126 1.00 . A A . 28 LEU HB2 1 1 8 7181 1 1 28 LEU HB3 H 3.797 -3.177 -2.532 1.00 . A A . 28 LEU HB3 1 1 8 7182 1 1 28 LEU HD11 H 5.575 -5.413 -0.518 1.00 . A A . 28 LEU HD11 1 1 8 7183 1 1 28 LEU HD12 H 4.933 -6.946 -1.109 1.00 . A A . 28 LEU HD12 1 1 8 7184 1 1 28 LEU HD13 H 4.002 -5.983 0.039 1.00 . A A . 28 LEU HD13 1 1 8 7185 1 1 28 LEU HD21 H 2.076 -6.144 -1.955 1.00 . A A . 28 LEU HD21 1 1 8 7186 1 1 28 LEU HD22 H 2.064 -4.448 -2.439 1.00 . A A . 28 LEU HD22 1 1 8 7187 1 1 28 LEU HD23 H 2.275 -4.880 -0.742 1.00 . A A . 28 LEU HD23 1 1 8 7188 1 1 28 LEU HG H 4.206 -5.764 -2.863 1.00 . A A . 28 LEU HG 1 1 8 7189 1 1 28 LEU N N 5.482 -3.965 -4.385 1.00 . A A . 28 LEU N 1 1 8 7190 1 1 28 LEU O O 7.654 -4.360 -1.599 1.00 . A A . 28 LEU O 1 1 8 7191 1 1 29 ARG C C 9.296 -6.305 -2.808 1.00 . A A . 29 ARG C 1 1 8 7192 1 1 29 ARG CA C 7.891 -6.869 -2.765 1.00 . A A . 29 ARG CA 1 1 8 7193 1 1 29 ARG CB C 7.769 -8.073 -3.698 1.00 . A A . 29 ARG CB 1 1 8 7194 1 1 29 ARG CD C 6.307 -10.109 -3.478 1.00 . A A . 29 ARG CD 1 1 8 7195 1 1 29 ARG CG C 7.534 -9.378 -2.960 1.00 . A A . 29 ARG CG 1 1 8 7196 1 1 29 ARG CZ C 4.570 -11.550 -2.486 1.00 . A A . 29 ARG CZ 1 1 8 7197 1 1 29 ARG H H 6.278 -6.037 -3.830 1.00 . A A . 29 ARG H 1 1 8 7198 1 1 29 ARG HA H 7.681 -7.177 -1.765 1.00 . A A . 29 ARG HA 1 1 8 7199 1 1 29 ARG HB2 H 6.943 -7.909 -4.373 1.00 . A A . 29 ARG HB2 1 1 8 7200 1 1 29 ARG HB3 H 8.679 -8.167 -4.273 1.00 . A A . 29 ARG HB3 1 1 8 7201 1 1 29 ARG HD2 H 5.753 -9.445 -4.125 1.00 . A A . 29 ARG HD2 1 1 8 7202 1 1 29 ARG HD3 H 6.629 -10.973 -4.039 1.00 . A A . 29 ARG HD3 1 1 8 7203 1 1 29 ARG HE H 5.507 -10.063 -1.537 1.00 . A A . 29 ARG HE 1 1 8 7204 1 1 29 ARG HG2 H 8.398 -10.012 -3.085 1.00 . A A . 29 ARG HG2 1 1 8 7205 1 1 29 ARG HG3 H 7.394 -9.160 -1.913 1.00 . A A . 29 ARG HG3 1 1 8 7206 1 1 29 ARG HH11 H 4.995 -11.969 -4.419 1.00 . A A . 29 ARG HH11 1 1 8 7207 1 1 29 ARG HH12 H 3.787 -12.973 -3.691 1.00 . A A . 29 ARG HH12 1 1 8 7208 1 1 29 ARG HH21 H 3.920 -11.385 -0.580 1.00 . A A . 29 ARG HH21 1 1 8 7209 1 1 29 ARG HH22 H 3.175 -12.641 -1.512 1.00 . A A . 29 ARG HH22 1 1 8 7210 1 1 29 ARG N N 6.918 -5.851 -3.120 1.00 . A A . 29 ARG N 1 1 8 7211 1 1 29 ARG NE N 5.438 -10.544 -2.389 1.00 . A A . 29 ARG NE 1 1 8 7212 1 1 29 ARG NH1 N 4.441 -12.218 -3.626 1.00 . A A . 29 ARG NH1 1 1 8 7213 1 1 29 ARG NH2 N 3.828 -11.886 -1.440 1.00 . A A . 29 ARG NH2 1 1 8 7214 1 1 29 ARG O O 10.099 -6.533 -1.903 1.00 . A A . 29 ARG O 1 1 8 7215 1 1 30 ALA C C 11.203 -4.083 -2.774 1.00 . A A . 30 ALA C 1 1 8 7216 1 1 30 ALA CA C 10.882 -4.927 -4.003 1.00 . A A . 30 ALA CA 1 1 8 7217 1 1 30 ALA CB C 10.928 -4.077 -5.264 1.00 . A A . 30 ALA CB 1 1 8 7218 1 1 30 ALA H H 8.892 -5.394 -4.530 1.00 . A A . 30 ALA H 1 1 8 7219 1 1 30 ALA HA H 11.612 -5.711 -4.094 1.00 . A A . 30 ALA HA 1 1 8 7220 1 1 30 ALA HB1 H 11.954 -3.842 -5.502 1.00 . A A . 30 ALA HB1 1 1 8 7221 1 1 30 ALA HB2 H 10.377 -3.162 -5.101 1.00 . A A . 30 ALA HB2 1 1 8 7222 1 1 30 ALA HB3 H 10.484 -4.623 -6.083 1.00 . A A . 30 ALA HB3 1 1 8 7223 1 1 30 ALA N N 9.580 -5.549 -3.854 1.00 . A A . 30 ALA N 1 1 8 7224 1 1 30 ALA O O 12.366 -3.830 -2.460 1.00 . A A . 30 ALA O 1 1 8 7225 1 1 31 GLN C C 10.606 -3.733 0.329 1.00 . A A . 31 GLN C 1 1 8 7226 1 1 31 GLN CA C 10.290 -2.853 -0.873 1.00 . A A . 31 GLN CA 1 1 8 7227 1 1 31 GLN CB C 9.014 -2.042 -0.619 1.00 . A A . 31 GLN CB 1 1 8 7228 1 1 31 GLN CD C 8.766 -0.011 -2.091 1.00 . A A . 31 GLN CD 1 1 8 7229 1 1 31 GLN CG C 8.394 -1.463 -1.881 1.00 . A A . 31 GLN CG 1 1 8 7230 1 1 31 GLN H H 9.250 -3.910 -2.379 1.00 . A A . 31 GLN H 1 1 8 7231 1 1 31 GLN HA H 11.112 -2.172 -1.023 1.00 . A A . 31 GLN HA 1 1 8 7232 1 1 31 GLN HB2 H 8.283 -2.677 -0.145 1.00 . A A . 31 GLN HB2 1 1 8 7233 1 1 31 GLN HB3 H 9.250 -1.221 0.044 1.00 . A A . 31 GLN HB3 1 1 8 7234 1 1 31 GLN HE21 H 7.022 0.563 -1.327 1.00 . A A . 31 GLN HE21 1 1 8 7235 1 1 31 GLN HE22 H 8.086 1.836 -1.832 1.00 . A A . 31 GLN HE22 1 1 8 7236 1 1 31 GLN HG2 H 8.732 -2.033 -2.733 1.00 . A A . 31 GLN HG2 1 1 8 7237 1 1 31 GLN HG3 H 7.319 -1.536 -1.803 1.00 . A A . 31 GLN HG3 1 1 8 7238 1 1 31 GLN N N 10.150 -3.660 -2.078 1.00 . A A . 31 GLN N 1 1 8 7239 1 1 31 GLN NE2 N 7.867 0.887 -1.714 1.00 . A A . 31 GLN NE2 1 1 8 7240 1 1 31 GLN O O 11.727 -3.728 0.839 1.00 . A A . 31 GLN O 1 1 8 7241 1 1 31 GLN OE1 O 9.849 0.300 -2.587 1.00 . A A . 31 GLN OE1 1 1 8 7242 1 1 32 GLN C C 10.392 -4.670 3.115 1.00 . A A . 32 GLN C 1 1 8 7243 1 1 32 GLN CA C 9.766 -5.382 1.918 1.00 . A A . 32 GLN CA 1 1 8 7244 1 1 32 GLN CB C 10.605 -6.580 1.514 1.00 . A A . 32 GLN CB 1 1 8 7245 1 1 32 GLN CD C 9.713 -8.899 1.066 1.00 . A A . 32 GLN CD 1 1 8 7246 1 1 32 GLN CG C 10.110 -7.881 2.116 1.00 . A A . 32 GLN CG 1 1 8 7247 1 1 32 GLN H H 8.743 -4.455 0.326 1.00 . A A . 32 GLN H 1 1 8 7248 1 1 32 GLN HA H 8.787 -5.731 2.203 1.00 . A A . 32 GLN HA 1 1 8 7249 1 1 32 GLN HB2 H 10.578 -6.667 0.438 1.00 . A A . 32 GLN HB2 1 1 8 7250 1 1 32 GLN HB3 H 11.622 -6.417 1.834 1.00 . A A . 32 GLN HB3 1 1 8 7251 1 1 32 GLN HE21 H 8.020 -7.915 0.725 1.00 . A A . 32 GLN HE21 1 1 8 7252 1 1 32 GLN HE22 H 8.262 -9.341 -0.218 1.00 . A A . 32 GLN HE22 1 1 8 7253 1 1 32 GLN HG2 H 10.891 -8.302 2.729 1.00 . A A . 32 GLN HG2 1 1 8 7254 1 1 32 GLN HG3 H 9.247 -7.664 2.728 1.00 . A A . 32 GLN HG3 1 1 8 7255 1 1 32 GLN N N 9.608 -4.491 0.778 1.00 . A A . 32 GLN N 1 1 8 7256 1 1 32 GLN NE2 N 8.548 -8.698 0.462 1.00 . A A . 32 GLN NE2 1 1 8 7257 1 1 32 GLN O O 10.913 -5.309 4.029 1.00 . A A . 32 GLN O 1 1 8 7258 1 1 32 GLN OE1 O 10.444 -9.853 0.801 1.00 . A A . 32 GLN OE1 1 1 8 7259 1 1 33 GLY C C 10.724 -1.072 3.962 1.00 . A A . 33 GLY C 1 1 8 7260 1 1 33 GLY CA C 10.885 -2.561 4.190 1.00 . A A . 33 GLY CA 1 1 8 7261 1 1 33 GLY H H 9.901 -2.894 2.348 1.00 . A A . 33 GLY H 1 1 8 7262 1 1 33 GLY HA2 H 10.384 -2.831 5.107 1.00 . A A . 33 GLY HA2 1 1 8 7263 1 1 33 GLY HA3 H 11.936 -2.789 4.284 1.00 . A A . 33 GLY HA3 1 1 8 7264 1 1 33 GLY N N 10.330 -3.345 3.102 1.00 . A A . 33 GLY N 1 1 8 7265 1 1 33 GLY O O 11.529 -0.273 4.441 1.00 . A A . 33 GLY O 1 1 8 7266 1 1 34 CYS C C 7.954 1.029 3.027 1.00 . A A . 34 CYS C 1 1 8 7267 1 1 34 CYS CA C 9.434 0.690 2.911 1.00 . A A . 34 CYS CA 1 1 8 7268 1 1 34 CYS CB C 9.915 0.996 1.508 1.00 . A A . 34 CYS CB 1 1 8 7269 1 1 34 CYS H H 9.099 -1.366 2.854 1.00 . A A . 34 CYS H 1 1 8 7270 1 1 34 CYS HA H 9.978 1.272 3.598 1.00 . A A . 34 CYS HA 1 1 8 7271 1 1 34 CYS HB2 H 10.771 0.380 1.291 1.00 . A A . 34 CYS HB2 1 1 8 7272 1 1 34 CYS HB3 H 9.124 0.756 0.827 1.00 . A A . 34 CYS HB3 1 1 8 7273 1 1 34 CYS N N 9.689 -0.697 3.215 1.00 . A A . 34 CYS N 1 1 8 7274 1 1 34 CYS O O 7.588 2.138 3.414 1.00 . A A . 34 CYS O 1 1 8 7275 1 1 34 CYS SG S 10.370 2.737 1.222 1.00 . A A . 34 CYS SG 1 1 8 7276 1 1 35 PHE C C 5.217 0.762 4.086 1.00 . A A . 35 PHE C 1 1 8 7277 1 1 35 PHE CA C 5.663 0.274 2.719 1.00 . A A . 35 PHE CA 1 1 8 7278 1 1 35 PHE CB C 4.896 -1.007 2.363 1.00 . A A . 35 PHE CB 1 1 8 7279 1 1 35 PHE CD1 C 5.434 -2.778 4.062 1.00 . A A . 35 PHE CD1 1 1 8 7280 1 1 35 PHE CD2 C 6.266 -3.060 1.845 1.00 . A A . 35 PHE CD2 1 1 8 7281 1 1 35 PHE CE1 C 6.011 -3.976 4.435 1.00 . A A . 35 PHE CE1 1 1 8 7282 1 1 35 PHE CE2 C 6.838 -4.260 2.213 1.00 . A A . 35 PHE CE2 1 1 8 7283 1 1 35 PHE CG C 5.556 -2.301 2.766 1.00 . A A . 35 PHE CG 1 1 8 7284 1 1 35 PHE CZ C 6.714 -4.719 3.508 1.00 . A A . 35 PHE CZ 1 1 8 7285 1 1 35 PHE H H 7.466 -0.782 2.363 1.00 . A A . 35 PHE H 1 1 8 7286 1 1 35 PHE HA H 5.421 1.030 1.998 1.00 . A A . 35 PHE HA 1 1 8 7287 1 1 35 PHE HB2 H 3.943 -0.975 2.863 1.00 . A A . 35 PHE HB2 1 1 8 7288 1 1 35 PHE HB3 H 4.735 -1.034 1.297 1.00 . A A . 35 PHE HB3 1 1 8 7289 1 1 35 PHE HD1 H 4.883 -2.200 4.789 1.00 . A A . 35 PHE HD1 1 1 8 7290 1 1 35 PHE HD2 H 6.376 -2.707 0.831 1.00 . A A . 35 PHE HD2 1 1 8 7291 1 1 35 PHE HE1 H 5.911 -4.333 5.449 1.00 . A A . 35 PHE HE1 1 1 8 7292 1 1 35 PHE HE2 H 7.380 -4.842 1.486 1.00 . A A . 35 PHE HE2 1 1 8 7293 1 1 35 PHE HZ H 7.162 -5.658 3.796 1.00 . A A . 35 PHE HZ 1 1 8 7294 1 1 35 PHE N N 7.108 0.071 2.672 1.00 . A A . 35 PHE N 1 1 8 7295 1 1 35 PHE O O 4.516 1.766 4.211 1.00 . A A . 35 PHE O 1 1 8 7296 1 1 36 CYS C C 5.612 1.806 6.810 1.00 . A A . 36 CYS C 1 1 8 7297 1 1 36 CYS CA C 5.284 0.352 6.481 1.00 . A A . 36 CYS CA 1 1 8 7298 1 1 36 CYS CB C 6.025 -0.578 7.443 1.00 . A A . 36 CYS CB 1 1 8 7299 1 1 36 CYS H H 6.176 -0.750 4.906 1.00 . A A . 36 CYS H 1 1 8 7300 1 1 36 CYS HA H 4.222 0.202 6.600 1.00 . A A . 36 CYS HA 1 1 8 7301 1 1 36 CYS HB2 H 6.186 -1.530 6.959 1.00 . A A . 36 CYS HB2 1 1 8 7302 1 1 36 CYS HB3 H 6.981 -0.140 7.690 1.00 . A A . 36 CYS HB3 1 1 8 7303 1 1 36 CYS N N 5.628 0.032 5.098 1.00 . A A . 36 CYS N 1 1 8 7304 1 1 36 CYS O O 4.863 2.475 7.521 1.00 . A A . 36 CYS O 1 1 8 7305 1 1 36 CYS SG S 5.137 -0.893 9.002 1.00 . A A . 36 CYS SG 1 1 8 7306 1 1 37 GLN C C 6.093 4.654 6.106 1.00 . A A . 37 GLN C 1 1 8 7307 1 1 37 GLN CA C 7.164 3.657 6.533 1.00 . A A . 37 GLN CA 1 1 8 7308 1 1 37 GLN CB C 8.469 3.948 5.792 1.00 . A A . 37 GLN CB 1 1 8 7309 1 1 37 GLN CD C 10.893 3.340 5.441 1.00 . A A . 37 GLN CD 1 1 8 7310 1 1 37 GLN CG C 9.634 3.084 6.245 1.00 . A A . 37 GLN CG 1 1 8 7311 1 1 37 GLN H H 7.293 1.705 5.738 1.00 . A A . 37 GLN H 1 1 8 7312 1 1 37 GLN HA H 7.331 3.760 7.587 1.00 . A A . 37 GLN HA 1 1 8 7313 1 1 37 GLN HB2 H 8.314 3.783 4.737 1.00 . A A . 37 GLN HB2 1 1 8 7314 1 1 37 GLN HB3 H 8.735 4.983 5.949 1.00 . A A . 37 GLN HB3 1 1 8 7315 1 1 37 GLN HE21 H 9.871 3.172 3.743 1.00 . A A . 37 GLN HE21 1 1 8 7316 1 1 37 GLN HE22 H 11.559 3.498 3.574 1.00 . A A . 37 GLN HE22 1 1 8 7317 1 1 37 GLN HG2 H 9.839 3.293 7.284 1.00 . A A . 37 GLN HG2 1 1 8 7318 1 1 37 GLN HG3 H 9.358 2.045 6.135 1.00 . A A . 37 GLN HG3 1 1 8 7319 1 1 37 GLN N N 6.736 2.286 6.291 1.00 . A A . 37 GLN N 1 1 8 7320 1 1 37 GLN NE2 N 10.761 3.337 4.120 1.00 . A A . 37 GLN NE2 1 1 8 7321 1 1 37 GLN O O 5.998 5.753 6.652 1.00 . A A . 37 GLN O 1 1 8 7322 1 1 37 GLN OE1 O 11.971 3.538 6.001 1.00 . A A . 37 GLN OE1 1 1 8 7323 1 1 38 TYR C C 3.032 5.127 5.567 1.00 . A A . 38 TYR C 1 1 8 7324 1 1 38 TYR CA C 4.227 5.120 4.618 1.00 . A A . 38 TYR CA 1 1 8 7325 1 1 38 TYR CB C 3.788 4.655 3.228 1.00 . A A . 38 TYR CB 1 1 8 7326 1 1 38 TYR CD1 C 5.143 6.285 1.855 1.00 . A A . 38 TYR CD1 1 1 8 7327 1 1 38 TYR CD2 C 5.385 3.957 1.401 1.00 . A A . 38 TYR CD2 1 1 8 7328 1 1 38 TYR CE1 C 6.060 6.578 0.863 1.00 . A A . 38 TYR CE1 1 1 8 7329 1 1 38 TYR CE2 C 6.303 4.242 0.408 1.00 . A A . 38 TYR CE2 1 1 8 7330 1 1 38 TYR CG C 4.790 4.972 2.140 1.00 . A A . 38 TYR CG 1 1 8 7331 1 1 38 TYR CZ C 6.637 5.553 0.143 1.00 . A A . 38 TYR CZ 1 1 8 7332 1 1 38 TYR H H 5.422 3.376 4.732 1.00 . A A . 38 TYR H 1 1 8 7333 1 1 38 TYR HA H 4.617 6.124 4.544 1.00 . A A . 38 TYR HA 1 1 8 7334 1 1 38 TYR HB2 H 3.642 3.586 3.243 1.00 . A A . 38 TYR HB2 1 1 8 7335 1 1 38 TYR HB3 H 2.856 5.138 2.972 1.00 . A A . 38 TYR HB3 1 1 8 7336 1 1 38 TYR HD1 H 4.690 7.085 2.421 1.00 . A A . 38 TYR HD1 1 1 8 7337 1 1 38 TYR HD2 H 5.120 2.932 1.610 1.00 . A A . 38 TYR HD2 1 1 8 7338 1 1 38 TYR HE1 H 6.321 7.605 0.656 1.00 . A A . 38 TYR HE1 1 1 8 7339 1 1 38 TYR HE2 H 6.754 3.439 -0.156 1.00 . A A . 38 TYR HE2 1 1 8 7340 1 1 38 TYR HH H 7.164 6.462 -1.468 1.00 . A A . 38 TYR HH 1 1 8 7341 1 1 38 TYR N N 5.292 4.263 5.125 1.00 . A A . 38 TYR N 1 1 8 7342 1 1 38 TYR O O 2.286 6.103 5.633 1.00 . A A . 38 TYR O 1 1 8 7343 1 1 38 TYR OH O 7.550 5.841 -0.846 1.00 . A A . 38 TYR OH 1 1 8 7344 1 1 39 ALA C C 1.708 5.090 8.207 1.00 . A A . 39 ALA C 1 1 8 7345 1 1 39 ALA CA C 1.754 3.908 7.244 1.00 . A A . 39 ALA CA 1 1 8 7346 1 1 39 ALA CB C 1.863 2.601 8.014 1.00 . A A . 39 ALA CB 1 1 8 7347 1 1 39 ALA H H 3.480 3.285 6.202 1.00 . A A . 39 ALA H 1 1 8 7348 1 1 39 ALA HA H 0.841 3.886 6.677 1.00 . A A . 39 ALA HA 1 1 8 7349 1 1 39 ALA HB1 H 2.714 2.643 8.677 1.00 . A A . 39 ALA HB1 1 1 8 7350 1 1 39 ALA HB2 H 1.988 1.783 7.319 1.00 . A A . 39 ALA HB2 1 1 8 7351 1 1 39 ALA HB3 H 0.964 2.447 8.592 1.00 . A A . 39 ALA HB3 1 1 8 7352 1 1 39 ALA N N 2.856 4.030 6.300 1.00 . A A . 39 ALA N 1 1 8 7353 1 1 39 ALA O O 0.656 5.413 8.760 1.00 . A A . 39 ALA O 1 1 8 7354 1 1 40 LYS C C 3.021 8.182 8.519 1.00 . A A . 40 LYS C 1 1 8 7355 1 1 40 LYS CA C 2.947 6.875 9.301 1.00 . A A . 40 LYS CA 1 1 8 7356 1 1 40 LYS CB C 4.172 6.740 10.208 1.00 . A A . 40 LYS CB 1 1 8 7357 1 1 40 LYS CD C 3.835 6.558 12.694 1.00 . A A . 40 LYS CD 1 1 8 7358 1 1 40 LYS CE C 2.358 6.300 12.943 1.00 . A A . 40 LYS CE 1 1 8 7359 1 1 40 LYS CG C 4.046 7.501 11.519 1.00 . A A . 40 LYS CG 1 1 8 7360 1 1 40 LYS H H 3.656 5.422 7.936 1.00 . A A . 40 LYS H 1 1 8 7361 1 1 40 LYS HA H 2.060 6.888 9.911 1.00 . A A . 40 LYS HA 1 1 8 7362 1 1 40 LYS HB2 H 4.324 5.695 10.434 1.00 . A A . 40 LYS HB2 1 1 8 7363 1 1 40 LYS HB3 H 5.037 7.115 9.682 1.00 . A A . 40 LYS HB3 1 1 8 7364 1 1 40 LYS HD2 H 4.324 5.619 12.481 1.00 . A A . 40 LYS HD2 1 1 8 7365 1 1 40 LYS HD3 H 4.270 7.000 13.579 1.00 . A A . 40 LYS HD3 1 1 8 7366 1 1 40 LYS HE2 H 1.971 7.085 13.576 1.00 . A A . 40 LYS HE2 1 1 8 7367 1 1 40 LYS HE3 H 1.839 6.312 11.996 1.00 . A A . 40 LYS HE3 1 1 8 7368 1 1 40 LYS HG2 H 4.949 8.068 11.684 1.00 . A A . 40 LYS HG2 1 1 8 7369 1 1 40 LYS HG3 H 3.203 8.174 11.453 1.00 . A A . 40 LYS HG3 1 1 8 7370 1 1 40 LYS HZ1 H 2.408 4.212 12.971 1.00 . A A . 40 LYS HZ1 1 1 8 7371 1 1 40 LYS HZ2 H 1.122 4.878 13.845 1.00 . A A . 40 LYS HZ2 1 1 8 7372 1 1 40 LYS HZ3 H 2.689 4.925 14.480 1.00 . A A . 40 LYS HZ3 1 1 8 7373 1 1 40 LYS N N 2.854 5.729 8.404 1.00 . A A . 40 LYS N 1 1 8 7374 1 1 40 LYS NZ N 2.128 4.987 13.606 1.00 . A A . 40 LYS NZ 1 1 8 7375 1 1 40 LYS O O 2.676 9.245 9.034 1.00 . A A . 40 LYS O 1 1 8 7376 1 1 41 ASP C C 2.250 9.976 6.257 1.00 . A A . 41 ASP C 1 1 8 7377 1 1 41 ASP CA C 3.597 9.270 6.417 1.00 . A A . 41 ASP CA 1 1 8 7378 1 1 41 ASP CB C 4.137 8.868 5.043 1.00 . A A . 41 ASP CB 1 1 8 7379 1 1 41 ASP CG C 4.372 10.065 4.142 1.00 . A A . 41 ASP CG 1 1 8 7380 1 1 41 ASP H H 3.733 7.219 6.922 1.00 . A A . 41 ASP H 1 1 8 7381 1 1 41 ASP HA H 4.296 9.947 6.883 1.00 . A A . 41 ASP HA 1 1 8 7382 1 1 41 ASP HB2 H 5.077 8.348 5.171 1.00 . A A . 41 ASP HB2 1 1 8 7383 1 1 41 ASP HB3 H 3.425 8.211 4.561 1.00 . A A . 41 ASP HB3 1 1 8 7384 1 1 41 ASP N N 3.474 8.095 7.273 1.00 . A A . 41 ASP N 1 1 8 7385 1 1 41 ASP O O 1.348 9.461 5.595 1.00 . A A . 41 ASP O 1 1 8 7386 1 1 41 ASP OD1 O 5.085 10.998 4.568 1.00 . A A . 41 ASP OD1 1 1 8 7387 1 1 41 ASP OD2 O 3.841 10.070 3.012 1.00 . A A . 41 ASP OD2 1 1 8 7388 1 1 42 PRO C C 0.771 12.779 5.513 1.00 . A A . 42 PRO C 1 1 8 7389 1 1 42 PRO CA C 0.850 11.937 6.781 1.00 . A A . 42 PRO CA 1 1 8 7390 1 1 42 PRO CB C 0.942 12.836 8.008 1.00 . A A . 42 PRO CB 1 1 8 7391 1 1 42 PRO CD C 3.108 11.867 7.676 1.00 . A A . 42 PRO CD 1 1 8 7392 1 1 42 PRO CG C 2.398 13.118 8.132 1.00 . A A . 42 PRO CG 1 1 8 7393 1 1 42 PRO HA H -0.021 11.303 6.854 1.00 . A A . 42 PRO HA 1 1 8 7394 1 1 42 PRO HB2 H 0.372 13.739 7.842 1.00 . A A . 42 PRO HB2 1 1 8 7395 1 1 42 PRO HB3 H 0.565 12.313 8.874 1.00 . A A . 42 PRO HB3 1 1 8 7396 1 1 42 PRO HD2 H 3.972 12.121 7.078 1.00 . A A . 42 PRO HD2 1 1 8 7397 1 1 42 PRO HD3 H 3.400 11.268 8.525 1.00 . A A . 42 PRO HD3 1 1 8 7398 1 1 42 PRO HG2 H 2.663 13.950 7.497 1.00 . A A . 42 PRO HG2 1 1 8 7399 1 1 42 PRO HG3 H 2.644 13.335 9.161 1.00 . A A . 42 PRO HG3 1 1 8 7400 1 1 42 PRO N N 2.092 11.168 6.862 1.00 . A A . 42 PRO N 1 1 8 7401 1 1 42 PRO O O 1.330 13.874 5.447 1.00 . A A . 42 PRO O 1 1 8 7402 1 1 43 THR C C -1.280 12.427 2.472 1.00 . A A . 43 THR C 1 1 8 7403 1 1 43 THR CA C -0.080 12.963 3.245 1.00 . A A . 43 THR CA 1 1 8 7404 1 1 43 THR CB C 1.191 12.832 2.402 1.00 . A A . 43 THR CB 1 1 8 7405 1 1 43 THR CG2 C 1.934 14.140 2.233 1.00 . A A . 43 THR CG2 1 1 8 7406 1 1 43 THR H H -0.345 11.391 4.623 1.00 . A A . 43 THR H 1 1 8 7407 1 1 43 THR HA H -0.248 14.002 3.467 1.00 . A A . 43 THR HA 1 1 8 7408 1 1 43 THR HB H 0.922 12.477 1.418 1.00 . A A . 43 THR HB 1 1 8 7409 1 1 43 THR HG1 H 2.478 12.277 3.772 1.00 . A A . 43 THR HG1 1 1 8 7410 1 1 43 THR HG21 H 2.670 14.038 1.449 1.00 . A A . 43 THR HG21 1 1 8 7411 1 1 43 THR HG22 H 2.428 14.396 3.159 1.00 . A A . 43 THR HG22 1 1 8 7412 1 1 43 THR HG23 H 1.235 14.920 1.971 1.00 . A A . 43 THR HG23 1 1 8 7413 1 1 43 THR N N 0.075 12.262 4.510 1.00 . A A . 43 THR N 1 1 8 7414 1 1 43 THR O O -2.083 13.195 1.941 1.00 . A A . 43 THR O 1 1 8 7415 1 1 43 THR OG1 O 2.088 11.900 2.980 1.00 . A A . 43 THR OG1 1 1 8 7416 1 1 44 TYR C C -3.685 10.241 2.640 1.00 . A A . 44 TYR C 1 1 8 7417 1 1 44 TYR CA C -2.500 10.465 1.707 1.00 . A A . 44 TYR CA 1 1 8 7418 1 1 44 TYR CB C -2.044 9.134 1.107 1.00 . A A . 44 TYR CB 1 1 8 7419 1 1 44 TYR CD1 C -1.141 9.556 -1.212 1.00 . A A . 44 TYR CD1 1 1 8 7420 1 1 44 TYR CD2 C 0.416 9.127 0.541 1.00 . A A . 44 TYR CD2 1 1 8 7421 1 1 44 TYR CE1 C -0.100 9.686 -2.111 1.00 . A A . 44 TYR CE1 1 1 8 7422 1 1 44 TYR CE2 C 1.463 9.256 -0.351 1.00 . A A . 44 TYR CE2 1 1 8 7423 1 1 44 TYR CG C -0.902 9.274 0.127 1.00 . A A . 44 TYR CG 1 1 8 7424 1 1 44 TYR CZ C 1.200 9.536 -1.676 1.00 . A A . 44 TYR CZ 1 1 8 7425 1 1 44 TYR H H -0.726 10.545 2.857 1.00 . A A . 44 TYR H 1 1 8 7426 1 1 44 TYR HA H -2.807 11.123 0.907 1.00 . A A . 44 TYR HA 1 1 8 7427 1 1 44 TYR HB2 H -1.721 8.481 1.903 1.00 . A A . 44 TYR HB2 1 1 8 7428 1 1 44 TYR HB3 H -2.875 8.678 0.588 1.00 . A A . 44 TYR HB3 1 1 8 7429 1 1 44 TYR HD1 H -2.160 9.674 -1.550 1.00 . A A . 44 TYR HD1 1 1 8 7430 1 1 44 TYR HD2 H 0.619 8.908 1.579 1.00 . A A . 44 TYR HD2 1 1 8 7431 1 1 44 TYR HE1 H -0.306 9.905 -3.148 1.00 . A A . 44 TYR HE1 1 1 8 7432 1 1 44 TYR HE2 H 2.481 9.138 -0.010 1.00 . A A . 44 TYR HE2 1 1 8 7433 1 1 44 TYR HH H 2.921 9.021 -2.362 1.00 . A A . 44 TYR HH 1 1 8 7434 1 1 44 TYR N N -1.397 11.105 2.414 1.00 . A A . 44 TYR N 1 1 8 7435 1 1 44 TYR O O -4.766 10.792 2.431 1.00 . A A . 44 TYR O 1 1 8 7436 1 1 44 TYR OH O 2.240 9.665 -2.568 1.00 . A A . 44 TYR OH 1 1 8 7437 1 1 45 GLY C C -5.545 8.149 4.101 1.00 . A A . 45 GLY C 1 1 8 7438 1 1 45 GLY CA C -4.533 9.150 4.625 1.00 . A A . 45 GLY CA 1 1 8 7439 1 1 45 GLY H H -2.591 9.021 3.790 1.00 . A A . 45 GLY H 1 1 8 7440 1 1 45 GLY HA2 H -4.093 8.758 5.530 1.00 . A A . 45 GLY HA2 1 1 8 7441 1 1 45 GLY HA3 H -5.044 10.073 4.858 1.00 . A A . 45 GLY HA3 1 1 8 7442 1 1 45 GLY N N -3.474 9.430 3.672 1.00 . A A . 45 GLY N 1 1 8 7443 1 1 45 GLY O O -5.761 7.100 4.708 1.00 . A A . 45 GLY O 1 1 8 7444 1 1 46 GLN C C -6.520 6.333 1.805 1.00 . A A . 46 GLN C 1 1 8 7445 1 1 46 GLN CA C -7.165 7.598 2.370 1.00 . A A . 46 GLN CA 1 1 8 7446 1 1 46 GLN CB C -7.919 8.340 1.264 1.00 . A A . 46 GLN CB 1 1 8 7447 1 1 46 GLN CD C -10.179 9.145 0.475 1.00 . A A . 46 GLN CD 1 1 8 7448 1 1 46 GLN CG C -9.423 8.124 1.302 1.00 . A A . 46 GLN CG 1 1 8 7449 1 1 46 GLN H H -5.957 9.321 2.536 1.00 . A A . 46 GLN H 1 1 8 7450 1 1 46 GLN HA H -7.863 7.317 3.141 1.00 . A A . 46 GLN HA 1 1 8 7451 1 1 46 GLN HB2 H -7.727 9.398 1.362 1.00 . A A . 46 GLN HB2 1 1 8 7452 1 1 46 GLN HB3 H -7.553 8.004 0.305 1.00 . A A . 46 GLN HB3 1 1 8 7453 1 1 46 GLN HE21 H -11.881 8.152 0.765 1.00 . A A . 46 GLN HE21 1 1 8 7454 1 1 46 GLN HE22 H -11.998 9.591 -0.201 1.00 . A A . 46 GLN HE22 1 1 8 7455 1 1 46 GLN HG2 H -9.643 7.139 0.919 1.00 . A A . 46 GLN HG2 1 1 8 7456 1 1 46 GLN HG3 H -9.758 8.193 2.327 1.00 . A A . 46 GLN HG3 1 1 8 7457 1 1 46 GLN N N -6.169 8.474 2.973 1.00 . A A . 46 GLN N 1 1 8 7458 1 1 46 GLN NE2 N -11.484 8.942 0.332 1.00 . A A . 46 GLN NE2 1 1 8 7459 1 1 46 GLN O O -7.212 5.370 1.476 1.00 . A A . 46 GLN O 1 1 8 7460 1 1 46 GLN OE1 O -9.598 10.105 -0.030 1.00 . A A . 46 GLN OE1 1 1 8 7461 1 1 47 TYR C C -4.282 4.124 2.221 1.00 . A A . 47 TYR C 1 1 8 7462 1 1 47 TYR CA C -4.465 5.201 1.157 1.00 . A A . 47 TYR CA 1 1 8 7463 1 1 47 TYR CB C -3.107 5.644 0.637 1.00 . A A . 47 TYR CB 1 1 8 7464 1 1 47 TYR CD1 C -2.131 3.454 -0.150 1.00 . A A . 47 TYR CD1 1 1 8 7465 1 1 47 TYR CD2 C -2.406 5.205 -1.743 1.00 . A A . 47 TYR CD2 1 1 8 7466 1 1 47 TYR CE1 C -1.607 2.636 -1.132 1.00 . A A . 47 TYR CE1 1 1 8 7467 1 1 47 TYR CE2 C -1.882 4.394 -2.732 1.00 . A A . 47 TYR CE2 1 1 8 7468 1 1 47 TYR CG C -2.539 4.750 -0.439 1.00 . A A . 47 TYR CG 1 1 8 7469 1 1 47 TYR CZ C -1.485 3.111 -2.421 1.00 . A A . 47 TYR CZ 1 1 8 7470 1 1 47 TYR H H -4.697 7.142 1.962 1.00 . A A . 47 TYR H 1 1 8 7471 1 1 47 TYR HA H -5.027 4.794 0.345 1.00 . A A . 47 TYR HA 1 1 8 7472 1 1 47 TYR HB2 H -3.187 6.644 0.232 1.00 . A A . 47 TYR HB2 1 1 8 7473 1 1 47 TYR HB3 H -2.419 5.644 1.458 1.00 . A A . 47 TYR HB3 1 1 8 7474 1 1 47 TYR HD1 H -2.229 3.086 0.861 1.00 . A A . 47 TYR HD1 1 1 8 7475 1 1 47 TYR HD2 H -2.720 6.212 -1.981 1.00 . A A . 47 TYR HD2 1 1 8 7476 1 1 47 TYR HE1 H -1.295 1.631 -0.889 1.00 . A A . 47 TYR HE1 1 1 8 7477 1 1 47 TYR HE2 H -1.787 4.767 -3.741 1.00 . A A . 47 TYR HE2 1 1 8 7478 1 1 47 TYR HH H -1.438 2.444 -4.223 1.00 . A A . 47 TYR HH 1 1 8 7479 1 1 47 TYR N N -5.195 6.345 1.688 1.00 . A A . 47 TYR N 1 1 8 7480 1 1 47 TYR O O -4.661 2.970 2.022 1.00 . A A . 47 TYR O 1 1 8 7481 1 1 47 TYR OH O -0.962 2.300 -3.402 1.00 . A A . 47 TYR OH 1 1 8 7482 1 1 48 ILE C C -4.757 3.104 5.065 1.00 . A A . 48 ILE C 1 1 8 7483 1 1 48 ILE CA C -3.451 3.575 4.440 1.00 . A A . 48 ILE CA 1 1 8 7484 1 1 48 ILE CB C -2.567 4.205 5.536 1.00 . A A . 48 ILE CB 1 1 8 7485 1 1 48 ILE CD1 C -0.439 3.781 4.207 1.00 . A A . 48 ILE CD1 1 1 8 7486 1 1 48 ILE CG1 C -1.300 4.800 4.920 1.00 . A A . 48 ILE CG1 1 1 8 7487 1 1 48 ILE CG2 C -2.211 3.169 6.593 1.00 . A A . 48 ILE CG2 1 1 8 7488 1 1 48 ILE H H -3.407 5.439 3.445 1.00 . A A . 48 ILE H 1 1 8 7489 1 1 48 ILE HA H -2.932 2.721 4.036 1.00 . A A . 48 ILE HA 1 1 8 7490 1 1 48 ILE HB H -3.131 4.992 6.014 1.00 . A A . 48 ILE HB 1 1 8 7491 1 1 48 ILE HD11 H 0.393 4.280 3.733 1.00 . A A . 48 ILE HD11 1 1 8 7492 1 1 48 ILE HD12 H -1.028 3.273 3.457 1.00 . A A . 48 ILE HD12 1 1 8 7493 1 1 48 ILE HD13 H -0.067 3.061 4.921 1.00 . A A . 48 ILE HD13 1 1 8 7494 1 1 48 ILE HG12 H -1.577 5.559 4.204 1.00 . A A . 48 ILE HG12 1 1 8 7495 1 1 48 ILE HG13 H -0.705 5.249 5.702 1.00 . A A . 48 ILE HG13 1 1 8 7496 1 1 48 ILE HG21 H -1.256 3.417 7.032 1.00 . A A . 48 ILE HG21 1 1 8 7497 1 1 48 ILE HG22 H -2.154 2.193 6.135 1.00 . A A . 48 ILE HG22 1 1 8 7498 1 1 48 ILE HG23 H -2.970 3.163 7.360 1.00 . A A . 48 ILE HG23 1 1 8 7499 1 1 48 ILE N N -3.692 4.508 3.348 1.00 . A A . 48 ILE N 1 1 8 7500 1 1 48 ILE O O -5.020 1.904 5.142 1.00 . A A . 48 ILE O 1 1 8 7501 1 1 49 ARG C C -7.926 3.424 5.087 1.00 . A A . 49 ARG C 1 1 8 7502 1 1 49 ARG CA C -6.855 3.721 6.131 1.00 . A A . 49 ARG CA 1 1 8 7503 1 1 49 ARG CB C -7.314 4.856 7.048 1.00 . A A . 49 ARG CB 1 1 8 7504 1 1 49 ARG CD C -6.735 5.557 9.392 1.00 . A A . 49 ARG CD 1 1 8 7505 1 1 49 ARG CG C -6.222 5.368 7.974 1.00 . A A . 49 ARG CG 1 1 8 7506 1 1 49 ARG CZ C -6.604 7.984 9.802 1.00 . A A . 49 ARG CZ 1 1 8 7507 1 1 49 ARG H H -5.314 4.991 5.425 1.00 . A A . 49 ARG H 1 1 8 7508 1 1 49 ARG HA H -6.706 2.833 6.719 1.00 . A A . 49 ARG HA 1 1 8 7509 1 1 49 ARG HB2 H -7.655 5.680 6.438 1.00 . A A . 49 ARG HB2 1 1 8 7510 1 1 49 ARG HB3 H -8.135 4.503 7.654 1.00 . A A . 49 ARG HB3 1 1 8 7511 1 1 49 ARG HD2 H -7.810 5.655 9.362 1.00 . A A . 49 ARG HD2 1 1 8 7512 1 1 49 ARG HD3 H -6.470 4.688 9.976 1.00 . A A . 49 ARG HD3 1 1 8 7513 1 1 49 ARG HE H -5.424 6.615 10.649 1.00 . A A . 49 ARG HE 1 1 8 7514 1 1 49 ARG HG2 H -5.412 4.654 7.988 1.00 . A A . 49 ARG HG2 1 1 8 7515 1 1 49 ARG HG3 H -5.862 6.316 7.600 1.00 . A A . 49 ARG HG3 1 1 8 7516 1 1 49 ARG HH11 H -8.043 7.433 8.492 1.00 . A A . 49 ARG HH11 1 1 8 7517 1 1 49 ARG HH12 H -7.930 9.133 8.799 1.00 . A A . 49 ARG HH12 1 1 8 7518 1 1 49 ARG HH21 H -5.275 8.851 11.054 1.00 . A A . 49 ARG HH21 1 1 8 7519 1 1 49 ARG HH22 H -6.359 9.939 10.253 1.00 . A A . 49 ARG HH22 1 1 8 7520 1 1 49 ARG N N -5.576 4.051 5.512 1.00 . A A . 49 ARG N 1 1 8 7521 1 1 49 ARG NE N -6.168 6.746 10.025 1.00 . A A . 49 ARG NE 1 1 8 7522 1 1 49 ARG NH1 N -7.608 8.201 8.962 1.00 . A A . 49 ARG NH1 1 1 8 7523 1 1 49 ARG NH2 N -6.032 9.008 10.420 1.00 . A A . 49 ARG NH2 1 1 8 7524 1 1 49 ARG O O -9.112 3.660 5.316 1.00 . A A . 49 ARG O 1 1 8 7525 1 1 50 SER C C -9.093 1.210 3.148 1.00 . A A . 50 SER C 1 1 8 7526 1 1 50 SER CA C -8.423 2.554 2.876 1.00 . A A . 50 SER CA 1 1 8 7527 1 1 50 SER CB C -7.685 2.512 1.549 1.00 . A A . 50 SER CB 1 1 8 7528 1 1 50 SER H H -6.551 2.720 3.830 1.00 . A A . 50 SER H 1 1 8 7529 1 1 50 SER HA H -9.177 3.313 2.826 1.00 . A A . 50 SER HA 1 1 8 7530 1 1 50 SER HB2 H -6.831 3.174 1.591 1.00 . A A . 50 SER HB2 1 1 8 7531 1 1 50 SER HB3 H -7.357 1.508 1.375 1.00 . A A . 50 SER HB3 1 1 8 7532 1 1 50 SER HG H -8.075 3.577 -0.048 1.00 . A A . 50 SER HG 1 1 8 7533 1 1 50 SER N N -7.504 2.896 3.948 1.00 . A A . 50 SER N 1 1 8 7534 1 1 50 SER O O -8.588 0.407 3.933 1.00 . A A . 50 SER O 1 1 8 7535 1 1 50 SER OG O -8.525 2.913 0.481 1.00 . A A . 50 SER OG 1 1 8 7536 1 1 51 PRO C C -10.337 -1.438 1.823 1.00 . A A . 51 PRO C 1 1 8 7537 1 1 51 PRO CA C -10.947 -0.319 2.660 1.00 . A A . 51 PRO CA 1 1 8 7538 1 1 51 PRO CB C -12.370 -0.002 2.184 1.00 . A A . 51 PRO CB 1 1 8 7539 1 1 51 PRO CD C -10.889 1.815 1.517 1.00 . A A . 51 PRO CD 1 1 8 7540 1 1 51 PRO CG C -12.304 1.303 1.445 1.00 . A A . 51 PRO CG 1 1 8 7541 1 1 51 PRO HA H -10.970 -0.622 3.696 1.00 . A A . 51 PRO HA 1 1 8 7542 1 1 51 PRO HB2 H -12.716 -0.796 1.539 1.00 . A A . 51 PRO HB2 1 1 8 7543 1 1 51 PRO HB3 H -13.023 0.070 3.042 1.00 . A A . 51 PRO HB3 1 1 8 7544 1 1 51 PRO HD2 H -10.416 1.732 0.550 1.00 . A A . 51 PRO HD2 1 1 8 7545 1 1 51 PRO HD3 H -10.877 2.841 1.854 1.00 . A A . 51 PRO HD3 1 1 8 7546 1 1 51 PRO HG2 H -12.583 1.149 0.411 1.00 . A A . 51 PRO HG2 1 1 8 7547 1 1 51 PRO HG3 H -12.978 2.011 1.905 1.00 . A A . 51 PRO HG3 1 1 8 7548 1 1 51 PRO N N -10.232 0.936 2.492 1.00 . A A . 51 PRO N 1 1 8 7549 1 1 51 PRO O O -10.175 -2.566 2.288 1.00 . A A . 51 PRO O 1 1 8 7550 1 1 52 HIS C C -7.939 -2.233 -0.141 1.00 . A A . 52 HIS C 1 1 8 7551 1 1 52 HIS CA C -9.440 -2.064 -0.361 1.00 . A A . 52 HIS CA 1 1 8 7552 1 1 52 HIS CB C -9.717 -1.620 -1.804 1.00 . A A . 52 HIS CB 1 1 8 7553 1 1 52 HIS CD2 C -12.067 -0.666 -1.246 1.00 . A A . 52 HIS CD2 1 1 8 7554 1 1 52 HIS CE1 C -12.112 0.967 -2.703 1.00 . A A . 52 HIS CE1 1 1 8 7555 1 1 52 HIS CG C -10.901 -0.706 -1.935 1.00 . A A . 52 HIS CG 1 1 8 7556 1 1 52 HIS H H -10.185 -0.192 0.278 1.00 . A A . 52 HIS H 1 1 8 7557 1 1 52 HIS HA H -9.918 -3.014 -0.193 1.00 . A A . 52 HIS HA 1 1 8 7558 1 1 52 HIS HB2 H -8.852 -1.099 -2.185 1.00 . A A . 52 HIS HB2 1 1 8 7559 1 1 52 HIS HB3 H -9.901 -2.494 -2.413 1.00 . A A . 52 HIS HB3 1 1 8 7560 1 1 52 HIS HD1 H -10.266 0.564 -3.492 1.00 . A A . 52 HIS HD1 1 1 8 7561 1 1 52 HIS HD2 H -12.355 -1.321 -0.437 1.00 . A A . 52 HIS HD2 1 1 8 7562 1 1 52 HIS HE1 H -12.429 1.830 -3.264 1.00 . A A . 52 HIS HE1 1 1 8 7563 1 1 52 HIS HE2 H -13.661 0.690 -1.396 1.00 . A A . 52 HIS HE2 1 1 8 7564 1 1 52 HIS N N -10.019 -1.108 0.578 1.00 . A A . 52 HIS N 1 1 8 7565 1 1 52 HIS ND1 N -10.961 0.330 -2.843 1.00 . A A . 52 HIS ND1 1 1 8 7566 1 1 52 HIS NE2 N -12.799 0.380 -1.744 1.00 . A A . 52 HIS NE2 1 1 8 7567 1 1 52 HIS O O -7.363 -3.262 -0.495 1.00 . A A . 52 HIS O 1 1 8 7568 1 1 53 ALA C C -5.490 -2.467 1.520 1.00 . A A . 53 ALA C 1 1 8 7569 1 1 53 ALA CA C -5.877 -1.250 0.692 1.00 . A A . 53 ALA CA 1 1 8 7570 1 1 53 ALA CB C -5.431 0.025 1.391 1.00 . A A . 53 ALA CB 1 1 8 7571 1 1 53 ALA H H -7.818 -0.425 0.689 1.00 . A A . 53 ALA H 1 1 8 7572 1 1 53 ALA HA H -5.380 -1.302 -0.254 1.00 . A A . 53 ALA HA 1 1 8 7573 1 1 53 ALA HB1 H -4.388 -0.058 1.661 1.00 . A A . 53 ALA HB1 1 1 8 7574 1 1 53 ALA HB2 H -6.023 0.174 2.281 1.00 . A A . 53 ALA HB2 1 1 8 7575 1 1 53 ALA HB3 H -5.564 0.865 0.725 1.00 . A A . 53 ALA HB3 1 1 8 7576 1 1 53 ALA N N -7.310 -1.217 0.436 1.00 . A A . 53 ALA N 1 1 8 7577 1 1 53 ALA O O -4.567 -3.205 1.176 1.00 . A A . 53 ALA O 1 1 8 7578 1 1 54 ARG C C -6.044 -5.104 2.787 1.00 . A A . 54 ARG C 1 1 8 7579 1 1 54 ARG CA C -5.953 -3.772 3.518 1.00 . A A . 54 ARG CA 1 1 8 7580 1 1 54 ARG CB C -6.946 -3.747 4.682 1.00 . A A . 54 ARG CB 1 1 8 7581 1 1 54 ARG CD C -7.975 -2.455 6.574 1.00 . A A . 54 ARG CD 1 1 8 7582 1 1 54 ARG CG C -6.970 -2.427 5.434 1.00 . A A . 54 ARG CG 1 1 8 7583 1 1 54 ARG CZ C -10.388 -2.040 6.848 1.00 . A A . 54 ARG CZ 1 1 8 7584 1 1 54 ARG H H -6.914 -2.026 2.823 1.00 . A A . 54 ARG H 1 1 8 7585 1 1 54 ARG HA H -4.959 -3.658 3.903 1.00 . A A . 54 ARG HA 1 1 8 7586 1 1 54 ARG HB2 H -7.938 -3.936 4.298 1.00 . A A . 54 ARG HB2 1 1 8 7587 1 1 54 ARG HB3 H -6.685 -4.530 5.379 1.00 . A A . 54 ARG HB3 1 1 8 7588 1 1 54 ARG HD2 H -8.156 -3.483 6.852 1.00 . A A . 54 ARG HD2 1 1 8 7589 1 1 54 ARG HD3 H -7.558 -1.923 7.417 1.00 . A A . 54 ARG HD3 1 1 8 7590 1 1 54 ARG HE H -9.243 -1.234 5.427 1.00 . A A . 54 ARG HE 1 1 8 7591 1 1 54 ARG HG2 H -5.988 -2.237 5.838 1.00 . A A . 54 ARG HG2 1 1 8 7592 1 1 54 ARG HG3 H -7.239 -1.638 4.748 1.00 . A A . 54 ARG HG3 1 1 8 7593 1 1 54 ARG HH11 H -9.595 -3.302 8.216 1.00 . A A . 54 ARG HH11 1 1 8 7594 1 1 54 ARG HH12 H -11.291 -2.995 8.385 1.00 . A A . 54 ARG HH12 1 1 8 7595 1 1 54 ARG HH21 H -11.472 -0.827 5.649 1.00 . A A . 54 ARG HH21 1 1 8 7596 1 1 54 ARG HH22 H -12.357 -1.591 6.928 1.00 . A A . 54 ARG HH22 1 1 8 7597 1 1 54 ARG N N -6.203 -2.657 2.615 1.00 . A A . 54 ARG N 1 1 8 7598 1 1 54 ARG NE N -9.244 -1.834 6.201 1.00 . A A . 54 ARG NE 1 1 8 7599 1 1 54 ARG NH1 N -10.427 -2.845 7.903 1.00 . A A . 54 ARG NH1 1 1 8 7600 1 1 54 ARG NH2 N -11.497 -1.436 6.442 1.00 . A A . 54 ARG NH2 1 1 8 7601 1 1 54 ARG O O -5.343 -6.060 3.121 1.00 . A A . 54 ARG O 1 1 8 7602 1 1 55 ASP C C -5.866 -6.672 0.173 1.00 . A A . 55 ASP C 1 1 8 7603 1 1 55 ASP CA C -7.101 -6.369 1.005 1.00 . A A . 55 ASP CA 1 1 8 7604 1 1 55 ASP CB C -8.316 -6.232 0.101 1.00 . A A . 55 ASP CB 1 1 8 7605 1 1 55 ASP CG C -8.926 -7.573 -0.257 1.00 . A A . 55 ASP CG 1 1 8 7606 1 1 55 ASP H H -7.436 -4.362 1.576 1.00 . A A . 55 ASP H 1 1 8 7607 1 1 55 ASP HA H -7.263 -7.175 1.679 1.00 . A A . 55 ASP HA 1 1 8 7608 1 1 55 ASP HB2 H -9.066 -5.634 0.599 1.00 . A A . 55 ASP HB2 1 1 8 7609 1 1 55 ASP HB3 H -8.011 -5.746 -0.805 1.00 . A A . 55 ASP HB3 1 1 8 7610 1 1 55 ASP N N -6.911 -5.157 1.789 1.00 . A A . 55 ASP N 1 1 8 7611 1 1 55 ASP O O -5.455 -7.825 0.040 1.00 . A A . 55 ASP O 1 1 8 7612 1 1 55 ASP OD1 O -8.856 -8.499 0.578 1.00 . A A . 55 ASP OD1 1 1 8 7613 1 1 55 ASP OD2 O -9.474 -7.698 -1.373 1.00 . A A . 55 ASP OD2 1 1 8 7614 1 1 56 THR C C -2.957 -6.398 -0.411 1.00 . A A . 56 THR C 1 1 8 7615 1 1 56 THR CA C -4.091 -5.752 -1.198 1.00 . A A . 56 THR CA 1 1 8 7616 1 1 56 THR CB C -3.660 -4.390 -1.712 1.00 . A A . 56 THR CB 1 1 8 7617 1 1 56 THR CG2 C -2.853 -4.459 -2.990 1.00 . A A . 56 THR CG2 1 1 8 7618 1 1 56 THR H H -5.661 -4.740 -0.229 1.00 . A A . 56 THR H 1 1 8 7619 1 1 56 THR HA H -4.333 -6.371 -2.032 1.00 . A A . 56 THR HA 1 1 8 7620 1 1 56 THR HB H -3.053 -3.927 -0.963 1.00 . A A . 56 THR HB 1 1 8 7621 1 1 56 THR HG1 H -5.451 -4.058 -2.434 1.00 . A A . 56 THR HG1 1 1 8 7622 1 1 56 THR HG21 H -3.097 -5.367 -3.520 1.00 . A A . 56 THR HG21 1 1 8 7623 1 1 56 THR HG22 H -1.800 -4.453 -2.750 1.00 . A A . 56 THR HG22 1 1 8 7624 1 1 56 THR HG23 H -3.087 -3.606 -3.609 1.00 . A A . 56 THR HG23 1 1 8 7625 1 1 56 THR N N -5.281 -5.624 -0.379 1.00 . A A . 56 THR N 1 1 8 7626 1 1 56 THR O O -2.342 -7.363 -0.867 1.00 . A A . 56 THR O 1 1 8 7627 1 1 56 THR OG1 O -4.784 -3.562 -1.953 1.00 . A A . 56 THR OG1 1 1 8 7628 1 1 57 LEU C C -1.848 -7.855 1.920 1.00 . A A . 57 LEU C 1 1 8 7629 1 1 57 LEU CA C -1.631 -6.380 1.628 1.00 . A A . 57 LEU CA 1 1 8 7630 1 1 57 LEU CB C -1.567 -5.583 2.929 1.00 . A A . 57 LEU CB 1 1 8 7631 1 1 57 LEU CD1 C -0.977 -3.146 2.969 1.00 . A A . 57 LEU CD1 1 1 8 7632 1 1 57 LEU CD2 C 0.399 -4.782 4.266 1.00 . A A . 57 LEU CD2 1 1 8 7633 1 1 57 LEU CG C -0.431 -4.566 3.009 1.00 . A A . 57 LEU CG 1 1 8 7634 1 1 57 LEU H H -3.209 -5.094 1.082 1.00 . A A . 57 LEU H 1 1 8 7635 1 1 57 LEU HA H -0.710 -6.265 1.107 1.00 . A A . 57 LEU HA 1 1 8 7636 1 1 57 LEU HB2 H -2.496 -5.054 3.032 1.00 . A A . 57 LEU HB2 1 1 8 7637 1 1 57 LEU HB3 H -1.465 -6.277 3.753 1.00 . A A . 57 LEU HB3 1 1 8 7638 1 1 57 LEU HD11 H -0.324 -2.493 3.529 1.00 . A A . 57 LEU HD11 1 1 8 7639 1 1 57 LEU HD12 H -1.964 -3.128 3.406 1.00 . A A . 57 LEU HD12 1 1 8 7640 1 1 57 LEU HD13 H -1.031 -2.810 1.944 1.00 . A A . 57 LEU HD13 1 1 8 7641 1 1 57 LEU HD21 H 0.908 -3.866 4.524 1.00 . A A . 57 LEU HD21 1 1 8 7642 1 1 57 LEU HD22 H 1.126 -5.560 4.088 1.00 . A A . 57 LEU HD22 1 1 8 7643 1 1 57 LEU HD23 H -0.249 -5.075 5.079 1.00 . A A . 57 LEU HD23 1 1 8 7644 1 1 57 LEU HG H 0.211 -4.697 2.156 1.00 . A A . 57 LEU HG 1 1 8 7645 1 1 57 LEU N N -2.686 -5.860 0.774 1.00 . A A . 57 LEU N 1 1 8 7646 1 1 57 LEU O O -0.937 -8.672 1.780 1.00 . A A . 57 LEU O 1 1 8 7647 1 1 58 THR C C -3.298 -10.430 1.388 1.00 . A A . 58 THR C 1 1 8 7648 1 1 58 THR CA C -3.419 -9.558 2.628 1.00 . A A . 58 THR CA 1 1 8 7649 1 1 58 THR CB C -4.839 -9.633 3.191 1.00 . A A . 58 THR CB 1 1 8 7650 1 1 58 THR CG2 C -5.187 -10.995 3.753 1.00 . A A . 58 THR CG2 1 1 8 7651 1 1 58 THR H H -3.735 -7.489 2.405 1.00 . A A . 58 THR H 1 1 8 7652 1 1 58 THR HA H -2.725 -9.911 3.368 1.00 . A A . 58 THR HA 1 1 8 7653 1 1 58 THR HB H -5.541 -9.412 2.400 1.00 . A A . 58 THR HB 1 1 8 7654 1 1 58 THR HG1 H -4.262 -8.702 4.814 1.00 . A A . 58 THR HG1 1 1 8 7655 1 1 58 THR HG21 H -4.309 -11.624 3.742 1.00 . A A . 58 THR HG21 1 1 8 7656 1 1 58 THR HG22 H -5.961 -11.446 3.149 1.00 . A A . 58 THR HG22 1 1 8 7657 1 1 58 THR HG23 H -5.540 -10.886 4.768 1.00 . A A . 58 THR HG23 1 1 8 7658 1 1 58 THR N N -3.063 -8.185 2.319 1.00 . A A . 58 THR N 1 1 8 7659 1 1 58 THR O O -2.805 -11.556 1.455 1.00 . A A . 58 THR O 1 1 8 7660 1 1 58 THR OG1 O -5.019 -8.683 4.225 1.00 . A A . 58 THR OG1 1 1 8 7661 1 1 59 SER C C -2.237 -11.102 -1.236 1.00 . A A . 59 SER C 1 1 8 7662 1 1 59 SER CA C -3.658 -10.620 -1.004 1.00 . A A . 59 SER CA 1 1 8 7663 1 1 59 SER CB C -4.100 -9.726 -2.147 1.00 . A A . 59 SER CB 1 1 8 7664 1 1 59 SER H H -4.106 -8.994 0.253 1.00 . A A . 59 SER H 1 1 8 7665 1 1 59 SER HA H -4.308 -11.459 -0.946 1.00 . A A . 59 SER HA 1 1 8 7666 1 1 59 SER HB2 H -4.886 -9.068 -1.804 1.00 . A A . 59 SER HB2 1 1 8 7667 1 1 59 SER HB3 H -3.260 -9.147 -2.469 1.00 . A A . 59 SER HB3 1 1 8 7668 1 1 59 SER HG H -3.843 -10.768 -3.786 1.00 . A A . 59 SER HG 1 1 8 7669 1 1 59 SER N N -3.736 -9.898 0.251 1.00 . A A . 59 SER N 1 1 8 7670 1 1 59 SER O O -2.007 -12.193 -1.758 1.00 . A A . 59 SER O 1 1 8 7671 1 1 59 SER OG O -4.582 -10.488 -3.240 1.00 . A A . 59 SER OG 1 1 8 7672 1 1 60 CYS C C 0.550 -11.523 0.174 1.00 . A A . 60 CYS C 1 1 8 7673 1 1 60 CYS CA C 0.117 -10.587 -0.949 1.00 . A A . 60 CYS CA 1 1 8 7674 1 1 60 CYS CB C 0.936 -9.297 -0.911 1.00 . A A . 60 CYS CB 1 1 8 7675 1 1 60 CYS H H -1.552 -9.429 -0.404 1.00 . A A . 60 CYS H 1 1 8 7676 1 1 60 CYS HA H 0.266 -11.081 -1.894 1.00 . A A . 60 CYS HA 1 1 8 7677 1 1 60 CYS HB2 H 0.302 -8.472 -1.197 1.00 . A A . 60 CYS HB2 1 1 8 7678 1 1 60 CYS HB3 H 1.280 -9.136 0.100 1.00 . A A . 60 CYS HB3 1 1 8 7679 1 1 60 CYS N N -1.291 -10.274 -0.821 1.00 . A A . 60 CYS N 1 1 8 7680 1 1 60 CYS O O 1.430 -12.365 -0.008 1.00 . A A . 60 CYS O 1 1 8 7681 1 1 60 CYS SG S 2.392 -9.284 -2.013 1.00 . A A . 60 CYS SG 1 1 8 7682 1 1 61 GLY C C 1.650 -11.991 2.986 1.00 . A A . 61 GLY C 1 1 8 7683 1 1 61 GLY CA C 0.242 -12.215 2.471 1.00 . A A . 61 GLY CA 1 1 8 7684 1 1 61 GLY H H -0.781 -10.687 1.425 1.00 . A A . 61 GLY H 1 1 8 7685 1 1 61 GLY HA2 H -0.456 -12.009 3.268 1.00 . A A . 61 GLY HA2 1 1 8 7686 1 1 61 GLY HA3 H 0.140 -13.249 2.177 1.00 . A A . 61 GLY HA3 1 1 8 7687 1 1 61 GLY N N -0.083 -11.373 1.337 1.00 . A A . 61 GLY N 1 1 8 7688 1 1 61 GLY O O 2.421 -12.939 3.127 1.00 . A A . 61 GLY O 1 1 8 7689 1 1 62 LEU C C 3.223 -9.946 5.251 1.00 . A A . 62 LEU C 1 1 8 7690 1 1 62 LEU CA C 3.309 -10.413 3.802 1.00 . A A . 62 LEU CA 1 1 8 7691 1 1 62 LEU CB C 4.019 -9.345 2.948 1.00 . A A . 62 LEU CB 1 1 8 7692 1 1 62 LEU CD1 C 2.962 -7.079 2.629 1.00 . A A . 62 LEU CD1 1 1 8 7693 1 1 62 LEU CD2 C 3.732 -8.385 0.651 1.00 . A A . 62 LEU CD2 1 1 8 7694 1 1 62 LEU CG C 3.131 -8.473 2.043 1.00 . A A . 62 LEU CG 1 1 8 7695 1 1 62 LEU H H 1.324 -10.024 3.164 1.00 . A A . 62 LEU H 1 1 8 7696 1 1 62 LEU HA H 3.896 -11.320 3.775 1.00 . A A . 62 LEU HA 1 1 8 7697 1 1 62 LEU HB2 H 4.559 -8.690 3.615 1.00 . A A . 62 LEU HB2 1 1 8 7698 1 1 62 LEU HB3 H 4.739 -9.851 2.321 1.00 . A A . 62 LEU HB3 1 1 8 7699 1 1 62 LEU HD11 H 3.766 -6.878 3.322 1.00 . A A . 62 LEU HD11 1 1 8 7700 1 1 62 LEU HD12 H 2.017 -7.019 3.147 1.00 . A A . 62 LEU HD12 1 1 8 7701 1 1 62 LEU HD13 H 2.982 -6.348 1.834 1.00 . A A . 62 LEU HD13 1 1 8 7702 1 1 62 LEU HD21 H 3.105 -7.766 0.027 1.00 . A A . 62 LEU HD21 1 1 8 7703 1 1 62 LEU HD22 H 3.801 -9.375 0.225 1.00 . A A . 62 LEU HD22 1 1 8 7704 1 1 62 LEU HD23 H 4.719 -7.951 0.712 1.00 . A A . 62 LEU HD23 1 1 8 7705 1 1 62 LEU HG H 2.151 -8.917 1.956 1.00 . A A . 62 LEU HG 1 1 8 7706 1 1 62 LEU N N 1.984 -10.738 3.283 1.00 . A A . 62 LEU N 1 1 8 7707 1 1 62 LEU O O 3.504 -10.707 6.176 1.00 . A A . 62 LEU O 1 1 8 7708 1 1 63 ALA C C 1.636 -7.041 6.819 1.00 . A A . 63 ALA C 1 1 8 7709 1 1 63 ALA CA C 2.709 -8.125 6.772 1.00 . A A . 63 ALA CA 1 1 8 7710 1 1 63 ALA CB C 4.050 -7.573 7.236 1.00 . A A . 63 ALA CB 1 1 8 7711 1 1 63 ALA H H 2.619 -8.140 4.668 1.00 . A A . 63 ALA H 1 1 8 7712 1 1 63 ALA HA H 2.427 -8.922 7.437 1.00 . A A . 63 ALA HA 1 1 8 7713 1 1 63 ALA HB1 H 4.843 -8.009 6.647 1.00 . A A . 63 ALA HB1 1 1 8 7714 1 1 63 ALA HB2 H 4.199 -7.817 8.277 1.00 . A A . 63 ALA HB2 1 1 8 7715 1 1 63 ALA HB3 H 4.058 -6.500 7.113 1.00 . A A . 63 ALA HB3 1 1 8 7716 1 1 63 ALA N N 2.833 -8.692 5.440 1.00 . A A . 63 ALA N 1 1 8 7717 1 1 63 ALA O O 0.811 -6.929 5.912 1.00 . A A . 63 ALA O 1 1 8 7718 1 1 64 VAL C C 1.398 -3.900 8.560 1.00 . A A . 64 VAL C 1 1 8 7719 1 1 64 VAL CA C 0.704 -5.164 8.057 1.00 . A A . 64 VAL CA 1 1 8 7720 1 1 64 VAL CB C -0.405 -5.559 9.037 1.00 . A A . 64 VAL CB 1 1 8 7721 1 1 64 VAL CG1 C -1.478 -4.483 9.106 1.00 . A A . 64 VAL CG1 1 1 8 7722 1 1 64 VAL CG2 C -1.006 -6.902 8.655 1.00 . A A . 64 VAL CG2 1 1 8 7723 1 1 64 VAL H H 2.340 -6.379 8.563 1.00 . A A . 64 VAL H 1 1 8 7724 1 1 64 VAL HA H 0.258 -4.968 7.112 1.00 . A A . 64 VAL HA 1 1 8 7725 1 1 64 VAL HB H 0.039 -5.652 10.005 1.00 . A A . 64 VAL HB 1 1 8 7726 1 1 64 VAL HG11 H -1.015 -3.522 9.270 1.00 . A A . 64 VAL HG11 1 1 8 7727 1 1 64 VAL HG12 H -2.154 -4.701 9.920 1.00 . A A . 64 VAL HG12 1 1 8 7728 1 1 64 VAL HG13 H -2.029 -4.464 8.176 1.00 . A A . 64 VAL HG13 1 1 8 7729 1 1 64 VAL HG21 H -0.214 -7.596 8.416 1.00 . A A . 64 VAL HG21 1 1 8 7730 1 1 64 VAL HG22 H -1.648 -6.778 7.796 1.00 . A A . 64 VAL HG22 1 1 8 7731 1 1 64 VAL HG23 H -1.583 -7.287 9.483 1.00 . A A . 64 VAL HG23 1 1 8 7732 1 1 64 VAL N N 1.660 -6.242 7.881 1.00 . A A . 64 VAL N 1 1 8 7733 1 1 64 VAL O O 2.282 -3.972 9.413 1.00 . A A . 64 VAL O 1 1 8 7734 1 1 65 PRO C C 1.505 -1.203 9.946 1.00 . A A . 65 PRO C 1 1 8 7735 1 1 65 PRO CA C 1.615 -1.443 8.443 1.00 . A A . 65 PRO CA 1 1 8 7736 1 1 65 PRO CB C 0.807 -0.393 7.666 1.00 . A A . 65 PRO CB 1 1 8 7737 1 1 65 PRO CD C -0.024 -2.527 7.013 1.00 . A A . 65 PRO CD 1 1 8 7738 1 1 65 PRO CG C -0.428 -1.098 7.228 1.00 . A A . 65 PRO CG 1 1 8 7739 1 1 65 PRO HA H 2.653 -1.389 8.150 1.00 . A A . 65 PRO HA 1 1 8 7740 1 1 65 PRO HB2 H 0.574 0.440 8.312 1.00 . A A . 65 PRO HB2 1 1 8 7741 1 1 65 PRO HB3 H 1.382 -0.047 6.820 1.00 . A A . 65 PRO HB3 1 1 8 7742 1 1 65 PRO HD2 H -0.862 -3.187 7.175 1.00 . A A . 65 PRO HD2 1 1 8 7743 1 1 65 PRO HD3 H 0.381 -2.661 6.022 1.00 . A A . 65 PRO HD3 1 1 8 7744 1 1 65 PRO HG2 H -1.180 -1.031 8.000 1.00 . A A . 65 PRO HG2 1 1 8 7745 1 1 65 PRO HG3 H -0.792 -0.667 6.308 1.00 . A A . 65 PRO HG3 1 1 8 7746 1 1 65 PRO N N 1.014 -2.720 8.037 1.00 . A A . 65 PRO N 1 1 8 7747 1 1 65 PRO O O 1.312 -2.139 10.723 1.00 . A A . 65 PRO O 1 1 8 7748 1 1 66 HIS C C 2.749 -0.140 12.531 1.00 . A A . 66 HIS C 1 1 8 7749 1 1 66 HIS CA C 1.557 0.421 11.762 1.00 . A A . 66 HIS CA 1 1 8 7750 1 1 66 HIS CB C 0.250 -0.088 12.376 1.00 . A A . 66 HIS CB 1 1 8 7751 1 1 66 HIS CD2 C -1.428 1.343 11.010 1.00 . A A . 66 HIS CD2 1 1 8 7752 1 1 66 HIS CE1 C -2.786 -0.259 10.392 1.00 . A A . 66 HIS CE1 1 1 8 7753 1 1 66 HIS CG C -0.954 0.186 11.530 1.00 . A A . 66 HIS CG 1 1 8 7754 1 1 66 HIS H H 1.790 0.757 9.685 1.00 . A A . 66 HIS H 1 1 8 7755 1 1 66 HIS HA H 1.578 1.499 11.826 1.00 . A A . 66 HIS HA 1 1 8 7756 1 1 66 HIS HB2 H 0.319 -1.156 12.519 1.00 . A A . 66 HIS HB2 1 1 8 7757 1 1 66 HIS HB3 H 0.100 0.389 13.333 1.00 . A A . 66 HIS HB3 1 1 8 7758 1 1 66 HIS HD1 H -1.759 -1.752 11.340 1.00 . A A . 66 HIS HD1 1 1 8 7759 1 1 66 HIS HD2 H -0.992 2.322 11.126 1.00 . A A . 66 HIS HD2 1 1 8 7760 1 1 66 HIS HE1 H -3.609 -0.788 9.940 1.00 . A A . 66 HIS HE1 1 1 8 7761 1 1 66 HIS HE2 H -3.168 1.688 9.890 1.00 . A A . 66 HIS HE2 1 1 8 7762 1 1 66 HIS N N 1.635 0.056 10.351 1.00 . A A . 66 HIS N 1 1 8 7763 1 1 66 HIS ND1 N -1.829 -0.799 11.124 1.00 . A A . 66 HIS ND1 1 1 8 7764 1 1 66 HIS NE2 N -2.566 1.038 10.308 1.00 . A A . 66 HIS NE2 1 1 8 7765 1 1 66 HIS O O 2.599 -0.668 13.633 1.00 . A A . 66 HIS O 1 1 8 7766 1 1 67 CYS C C 5.350 0.096 13.951 1.00 . A A . 67 CYS C 1 1 8 7767 1 1 67 CYS CA C 5.157 -0.518 12.568 1.00 . A A . 67 CYS CA 1 1 8 7768 1 1 67 CYS CB C 6.369 -0.207 11.688 1.00 . A A . 67 CYS CB 1 1 8 7769 1 1 67 CYS H H 3.991 0.408 11.062 1.00 . A A . 67 CYS H 1 1 8 7770 1 1 67 CYS HA H 5.064 -1.588 12.672 1.00 . A A . 67 CYS HA 1 1 8 7771 1 1 67 CYS HB2 H 6.254 0.779 11.263 1.00 . A A . 67 CYS HB2 1 1 8 7772 1 1 67 CYS HB3 H 7.261 -0.228 12.298 1.00 . A A . 67 CYS HB3 1 1 8 7773 1 1 67 CYS N N 3.936 -0.022 11.941 1.00 . A A . 67 CYS N 1 1 8 7774 1 1 67 CYS O O 5.413 1.341 14.042 1.00 . A A . 67 CYS O 1 1 8 7775 1 1 67 CYS OXT O 5.438 -0.672 14.932 1.00 . A A . 67 CYS OXT 1 1 8 7776 1 1 67 CYS SG S 6.611 -1.377 10.312 1.00 . A A . 67 CYS SG 1 1 8 7777 2 2 1 PGM C1 C -10.735 0.914 12.431 1.00 . B A . 68 PGM C1 1 1 8 7778 2 2 1 PGM C2 C -9.767 1.189 13.496 1.00 . B A . 68 PGM C2 1 1 8 7779 2 2 1 PGM C3 C -8.645 0.248 13.472 1.00 . B A . 68 PGM C3 1 1 8 7780 2 2 1 PGM C7 C -6.203 -0.076 9.875 1.00 . B A . 68 PGM C7 1 1 8 7781 2 2 1 PGM C8 C -6.084 0.752 8.672 1.00 . B A . 68 PGM C8 1 1 8 7782 2 2 1 PGM C9 C -4.860 0.494 7.957 1.00 . B A . 68 PGM C9 1 1 8 7783 2 2 1 PGM CA C -3.827 -1.428 7.161 1.00 . B A . 68 PGM CA 1 1 8 7784 2 2 1 PGM CB C -3.257 -1.573 5.816 1.00 . B A . 68 PGM CB 1 1 8 7785 2 2 1 PGM CC C -3.114 -0.303 5.020 1.00 . B A . 68 PGM CC 1 1 8 7786 2 2 1 PGM CD C -2.607 -0.491 3.618 1.00 . B A . 68 PGM CD 1 1 8 7787 2 2 1 PGM CE C -1.435 0.376 3.269 1.00 . B A . 68 PGM CE 1 1 8 7788 2 2 1 PGM CF C -1.069 0.364 1.815 1.00 . B A . 68 PGM CF 1 1 8 7789 2 2 1 PGM CG C 0.236 -0.310 1.505 1.00 . B A . 68 PGM CG 1 1 8 7790 2 2 1 PGM CH C 1.103 0.407 0.524 1.00 . B A . 68 PGM CH 1 1 8 7791 2 2 1 PGM CI C 2.055 1.391 1.119 1.00 . B A . 68 PGM CI 1 1 8 7792 2 2 1 PGM CJ C 1.533 2.785 1.214 1.00 . B A . 68 PGM CJ 1 1 8 7793 2 2 1 PGM CK C 2.179 3.777 0.302 1.00 . B A . 68 PGM CK 1 1 8 7794 2 2 1 PGM CL C 1.260 4.429 -0.685 1.00 . B A . 68 PGM CL 1 1 8 7795 2 2 1 PGM CM C 1.598 5.843 -1.032 1.00 . B A . 68 PGM CM 1 1 8 7796 2 2 1 PGM CN C 0.831 6.417 -2.180 1.00 . B A . 68 PGM CN 1 1 8 7797 2 2 1 PGM CO C 1.660 6.869 -3.338 1.00 . B A . 68 PGM CO 1 1 8 7798 2 2 1 PGM CP C 1.641 5.938 -4.514 1.00 . B A . 68 PGM CP 1 1 8 7799 2 2 1 PGM O1 O -11.997 0.683 13.006 1.00 . B A . 68 PGM O1 1 1 8 7800 2 2 1 PGM O2 O -9.275 2.497 13.343 1.00 . B A . 68 PGM O2 1 1 8 7801 2 2 1 PGM O4 O -7.741 0.645 12.431 1.00 . B A . 68 PGM O4 1 1 8 7802 2 2 1 PGM O5A O -5.509 0.987 13.540 1.00 . B A . 68 PGM O5A 1 1 8 7803 2 2 1 PGM O5B O -6.189 -1.301 12.686 1.00 . B A . 68 PGM O5B 1 1 8 7804 2 2 1 PGM O6 O -5.587 0.515 11.094 1.00 . B A . 68 PGM O6 1 1 8 7805 2 2 1 PGM O8 O -6.239 2.140 8.832 1.00 . B A . 68 PGM O8 1 1 8 7806 2 2 1 PGM OQ1 O -3.213 -2.056 8.091 1.00 . B A . 68 PGM OQ1 1 1 8 7807 2 2 1 PGM OQ2 O -4.866 -0.879 7.364 1.00 . B A . 68 PGM OQ2 1 1 8 7808 2 2 1 PGM P5 P -6.212 0.169 12.525 1.00 . B A . 68 PGM P5 1 1 9 7809 1 1 1 ALA C C 13.298 3.817 -1.263 1.00 . A A . 1 ALA C 1 1 9 7810 1 1 1 ALA CA C 14.818 3.805 -1.379 1.00 . A A . 1 ALA CA 1 1 9 7811 1 1 1 ALA CB C 15.241 3.159 -2.690 1.00 . A A . 1 ALA CB 1 1 9 7812 1 1 1 ALA H1 H 15.171 2.087 -0.303 1.00 . A A . 1 ALA H1 1 1 9 7813 1 1 1 ALA H2 H 15.063 3.515 0.643 1.00 . A A . 1 ALA H2 1 1 9 7814 1 1 1 ALA H3 H 16.465 3.211 -0.299 1.00 . A A . 1 ALA H3 1 1 9 7815 1 1 1 ALA HA H 15.177 4.824 -1.377 1.00 . A A . 1 ALA HA 1 1 9 7816 1 1 1 ALA HB1 H 16.157 2.607 -2.541 1.00 . A A . 1 ALA HB1 1 1 9 7817 1 1 1 ALA HB2 H 15.399 3.926 -3.434 1.00 . A A . 1 ALA HB2 1 1 9 7818 1 1 1 ALA HB3 H 14.465 2.487 -3.026 1.00 . A A . 1 ALA HB3 1 1 9 7819 1 1 1 ALA N N 15.435 3.090 -0.231 1.00 . A A . 1 ALA N 1 1 9 7820 1 1 1 ALA O O 12.641 2.801 -1.486 1.00 . A A . 1 ALA O 1 1 9 7821 1 1 2 CYS C C 10.657 5.497 -2.100 1.00 . A A . 2 CYS C 1 1 9 7822 1 1 2 CYS CA C 11.301 5.117 -0.769 1.00 . A A . 2 CYS CA 1 1 9 7823 1 1 2 CYS CB C 10.974 6.172 0.291 1.00 . A A . 2 CYS CB 1 1 9 7824 1 1 2 CYS H H 13.321 5.750 -0.749 1.00 . A A . 2 CYS H 1 1 9 7825 1 1 2 CYS HA H 10.905 4.165 -0.450 1.00 . A A . 2 CYS HA 1 1 9 7826 1 1 2 CYS HB2 H 11.479 7.092 0.039 1.00 . A A . 2 CYS HB2 1 1 9 7827 1 1 2 CYS HB3 H 9.908 6.343 0.300 1.00 . A A . 2 CYS HB3 1 1 9 7828 1 1 2 CYS N N 12.745 4.974 -0.913 1.00 . A A . 2 CYS N 1 1 9 7829 1 1 2 CYS O O 10.078 6.575 -2.237 1.00 . A A . 2 CYS O 1 1 9 7830 1 1 2 CYS SG S 11.477 5.710 1.981 1.00 . A A . 2 CYS SG 1 1 9 7831 1 1 3 GLN C C 8.680 5.026 -4.311 1.00 . A A . 3 GLN C 1 1 9 7832 1 1 3 GLN CA C 10.192 4.844 -4.398 1.00 . A A . 3 GLN CA 1 1 9 7833 1 1 3 GLN CB C 10.524 3.684 -5.339 1.00 . A A . 3 GLN CB 1 1 9 7834 1 1 3 GLN CD C 12.289 2.598 -6.781 1.00 . A A . 3 GLN CD 1 1 9 7835 1 1 3 GLN CG C 11.825 3.871 -6.101 1.00 . A A . 3 GLN CG 1 1 9 7836 1 1 3 GLN H H 11.237 3.762 -2.908 1.00 . A A . 3 GLN H 1 1 9 7837 1 1 3 GLN HA H 10.630 5.750 -4.789 1.00 . A A . 3 GLN HA 1 1 9 7838 1 1 3 GLN HB2 H 10.598 2.776 -4.760 1.00 . A A . 3 GLN HB2 1 1 9 7839 1 1 3 GLN HB3 H 9.724 3.579 -6.057 1.00 . A A . 3 GLN HB3 1 1 9 7840 1 1 3 GLN HE21 H 13.169 3.655 -8.217 1.00 . A A . 3 GLN HE21 1 1 9 7841 1 1 3 GLN HE22 H 13.304 1.939 -8.359 1.00 . A A . 3 GLN HE22 1 1 9 7842 1 1 3 GLN HG2 H 11.681 4.631 -6.854 1.00 . A A . 3 GLN HG2 1 1 9 7843 1 1 3 GLN HG3 H 12.590 4.191 -5.409 1.00 . A A . 3 GLN HG3 1 1 9 7844 1 1 3 GLN N N 10.763 4.603 -3.078 1.00 . A A . 3 GLN N 1 1 9 7845 1 1 3 GLN NE2 N 12.992 2.745 -7.898 1.00 . A A . 3 GLN NE2 1 1 9 7846 1 1 3 GLN O O 7.941 4.068 -4.083 1.00 . A A . 3 GLN O 1 1 9 7847 1 1 3 GLN OE1 O 12.019 1.494 -6.308 1.00 . A A . 3 GLN OE1 1 1 9 7848 1 1 4 ALA C C 6.133 6.406 -5.793 1.00 . A A . 4 ALA C 1 1 9 7849 1 1 4 ALA CA C 6.807 6.573 -4.432 1.00 . A A . 4 ALA CA 1 1 9 7850 1 1 4 ALA CB C 6.600 7.986 -3.910 1.00 . A A . 4 ALA CB 1 1 9 7851 1 1 4 ALA H H 8.860 6.982 -4.666 1.00 . A A . 4 ALA H 1 1 9 7852 1 1 4 ALA HA H 6.357 5.891 -3.734 1.00 . A A . 4 ALA HA 1 1 9 7853 1 1 4 ALA HB1 H 5.710 8.407 -4.353 1.00 . A A . 4 ALA HB1 1 1 9 7854 1 1 4 ALA HB2 H 7.454 8.595 -4.170 1.00 . A A . 4 ALA HB2 1 1 9 7855 1 1 4 ALA HB3 H 6.490 7.961 -2.836 1.00 . A A . 4 ALA HB3 1 1 9 7856 1 1 4 ALA N N 8.227 6.263 -4.492 1.00 . A A . 4 ALA N 1 1 9 7857 1 1 4 ALA O O 4.993 6.830 -5.983 1.00 . A A . 4 ALA O 1 1 9 7858 1 1 5 SER C C 6.000 4.096 -8.316 1.00 . A A . 5 SER C 1 1 9 7859 1 1 5 SER CA C 6.296 5.574 -8.076 1.00 . A A . 5 SER CA 1 1 9 7860 1 1 5 SER CB C 7.274 6.089 -9.133 1.00 . A A . 5 SER CB 1 1 9 7861 1 1 5 SER H H 7.741 5.472 -6.535 1.00 . A A . 5 SER H 1 1 9 7862 1 1 5 SER HA H 5.373 6.130 -8.152 1.00 . A A . 5 SER HA 1 1 9 7863 1 1 5 SER HB2 H 8.280 5.816 -8.853 1.00 . A A . 5 SER HB2 1 1 9 7864 1 1 5 SER HB3 H 7.034 5.646 -10.089 1.00 . A A . 5 SER HB3 1 1 9 7865 1 1 5 SER HG H 7.005 7.734 -10.163 1.00 . A A . 5 SER HG 1 1 9 7866 1 1 5 SER N N 6.838 5.790 -6.739 1.00 . A A . 5 SER N 1 1 9 7867 1 1 5 SER O O 5.178 3.748 -9.163 1.00 . A A . 5 SER O 1 1 9 7868 1 1 5 SER OG O 7.200 7.499 -9.253 1.00 . A A . 5 SER OG 1 1 9 7869 1 1 6 GLN C C 5.140 1.361 -7.128 1.00 . A A . 6 GLN C 1 1 9 7870 1 1 6 GLN CA C 6.489 1.797 -7.697 1.00 . A A . 6 GLN CA 1 1 9 7871 1 1 6 GLN CB C 7.620 1.050 -6.985 1.00 . A A . 6 GLN CB 1 1 9 7872 1 1 6 GLN CD C 9.239 0.035 -8.638 1.00 . A A . 6 GLN CD 1 1 9 7873 1 1 6 GLN CG C 8.965 1.179 -7.681 1.00 . A A . 6 GLN CG 1 1 9 7874 1 1 6 GLN H H 7.314 3.559 -6.913 1.00 . A A . 6 GLN H 1 1 9 7875 1 1 6 GLN HA H 6.521 1.563 -8.743 1.00 . A A . 6 GLN HA 1 1 9 7876 1 1 6 GLN HB2 H 7.719 1.441 -5.982 1.00 . A A . 6 GLN HB2 1 1 9 7877 1 1 6 GLN HB3 H 7.365 0.002 -6.930 1.00 . A A . 6 GLN HB3 1 1 9 7878 1 1 6 GLN HE21 H 10.910 -0.415 -7.661 1.00 . A A . 6 GLN HE21 1 1 9 7879 1 1 6 GLN HE22 H 10.544 -1.415 -9.021 1.00 . A A . 6 GLN HE22 1 1 9 7880 1 1 6 GLN HG2 H 8.981 2.104 -8.237 1.00 . A A . 6 GLN HG2 1 1 9 7881 1 1 6 GLN HG3 H 9.743 1.196 -6.932 1.00 . A A . 6 GLN HG3 1 1 9 7882 1 1 6 GLN N N 6.676 3.229 -7.566 1.00 . A A . 6 GLN N 1 1 9 7883 1 1 6 GLN NE2 N 10.343 -0.669 -8.418 1.00 . A A . 6 GLN NE2 1 1 9 7884 1 1 6 GLN O O 4.715 0.222 -7.319 1.00 . A A . 6 GLN O 1 1 9 7885 1 1 6 GLN OE1 O 8.467 -0.213 -9.564 1.00 . A A . 6 GLN OE1 1 1 9 7886 1 1 7 LEU C C 2.052 2.700 -6.529 1.00 . A A . 7 LEU C 1 1 9 7887 1 1 7 LEU CA C 3.187 1.974 -5.811 1.00 . A A . 7 LEU CA 1 1 9 7888 1 1 7 LEU CB C 3.207 2.365 -4.332 1.00 . A A . 7 LEU CB 1 1 9 7889 1 1 7 LEU CD1 C 4.634 3.020 -2.373 1.00 . A A . 7 LEU CD1 1 1 9 7890 1 1 7 LEU CD2 C 4.777 0.702 -3.307 1.00 . A A . 7 LEU CD2 1 1 9 7891 1 1 7 LEU CG C 4.556 2.172 -3.634 1.00 . A A . 7 LEU CG 1 1 9 7892 1 1 7 LEU H H 4.870 3.158 -6.292 1.00 . A A . 7 LEU H 1 1 9 7893 1 1 7 LEU HA H 3.022 0.910 -5.888 1.00 . A A . 7 LEU HA 1 1 9 7894 1 1 7 LEU HB2 H 2.928 3.406 -4.253 1.00 . A A . 7 LEU HB2 1 1 9 7895 1 1 7 LEU HB3 H 2.471 1.771 -3.814 1.00 . A A . 7 LEU HB3 1 1 9 7896 1 1 7 LEU HD11 H 4.473 2.395 -1.508 1.00 . A A . 7 LEU HD11 1 1 9 7897 1 1 7 LEU HD12 H 3.876 3.789 -2.409 1.00 . A A . 7 LEU HD12 1 1 9 7898 1 1 7 LEU HD13 H 5.610 3.479 -2.308 1.00 . A A . 7 LEU HD13 1 1 9 7899 1 1 7 LEU HD21 H 5.802 0.435 -3.522 1.00 . A A . 7 LEU HD21 1 1 9 7900 1 1 7 LEU HD22 H 4.114 0.095 -3.906 1.00 . A A . 7 LEU HD22 1 1 9 7901 1 1 7 LEU HD23 H 4.573 0.531 -2.260 1.00 . A A . 7 LEU HD23 1 1 9 7902 1 1 7 LEU HG H 5.349 2.491 -4.299 1.00 . A A . 7 LEU HG 1 1 9 7903 1 1 7 LEU N N 4.478 2.270 -6.419 1.00 . A A . 7 LEU N 1 1 9 7904 1 1 7 LEU O O 0.885 2.335 -6.384 1.00 . A A . 7 LEU O 1 1 9 7905 1 1 8 ALA C C 0.454 3.586 -8.809 1.00 . A A . 8 ALA C 1 1 9 7906 1 1 8 ALA CA C 1.396 4.499 -8.035 1.00 . A A . 8 ALA CA 1 1 9 7907 1 1 8 ALA CB C 2.073 5.484 -8.975 1.00 . A A . 8 ALA CB 1 1 9 7908 1 1 8 ALA H H 3.336 3.978 -7.379 1.00 . A A . 8 ALA H 1 1 9 7909 1 1 8 ALA HA H 0.825 5.057 -7.318 1.00 . A A . 8 ALA HA 1 1 9 7910 1 1 8 ALA HB1 H 2.880 5.981 -8.456 1.00 . A A . 8 ALA HB1 1 1 9 7911 1 1 8 ALA HB2 H 1.354 6.218 -9.307 1.00 . A A . 8 ALA HB2 1 1 9 7912 1 1 8 ALA HB3 H 2.468 4.954 -9.829 1.00 . A A . 8 ALA HB3 1 1 9 7913 1 1 8 ALA N N 2.394 3.729 -7.302 1.00 . A A . 8 ALA N 1 1 9 7914 1 1 8 ALA O O -0.737 3.866 -8.940 1.00 . A A . 8 ALA O 1 1 9 7915 1 1 9 VAL C C -0.822 0.852 -9.207 1.00 . A A . 9 VAL C 1 1 9 7916 1 1 9 VAL CA C 0.234 1.527 -10.077 1.00 . A A . 9 VAL CA 1 1 9 7917 1 1 9 VAL CB C 1.145 0.452 -10.701 1.00 . A A . 9 VAL CB 1 1 9 7918 1 1 9 VAL CG1 C 1.898 -0.307 -9.619 1.00 . A A . 9 VAL CG1 1 1 9 7919 1 1 9 VAL CG2 C 0.336 -0.502 -11.569 1.00 . A A . 9 VAL CG2 1 1 9 7920 1 1 9 VAL H H 1.952 2.338 -9.174 1.00 . A A . 9 VAL H 1 1 9 7921 1 1 9 VAL HA H -0.254 2.058 -10.871 1.00 . A A . 9 VAL HA 1 1 9 7922 1 1 9 VAL HB H 1.871 0.947 -11.330 1.00 . A A . 9 VAL HB 1 1 9 7923 1 1 9 VAL HG11 H 1.220 -0.974 -9.108 1.00 . A A . 9 VAL HG11 1 1 9 7924 1 1 9 VAL HG12 H 2.315 0.394 -8.911 1.00 . A A . 9 VAL HG12 1 1 9 7925 1 1 9 VAL HG13 H 2.696 -0.880 -10.069 1.00 . A A . 9 VAL HG13 1 1 9 7926 1 1 9 VAL HG21 H -0.116 -1.260 -10.946 1.00 . A A . 9 VAL HG21 1 1 9 7927 1 1 9 VAL HG22 H 0.987 -0.971 -12.292 1.00 . A A . 9 VAL HG22 1 1 9 7928 1 1 9 VAL HG23 H -0.437 0.049 -12.084 1.00 . A A . 9 VAL HG23 1 1 9 7929 1 1 9 VAL N N 1.004 2.494 -9.316 1.00 . A A . 9 VAL N 1 1 9 7930 1 1 9 VAL O O -1.834 0.361 -9.707 1.00 . A A . 9 VAL O 1 1 9 7931 1 1 10 CYS C C -2.610 1.193 -6.592 1.00 . A A . 10 CYS C 1 1 9 7932 1 1 10 CYS CA C -1.499 0.220 -6.954 1.00 . A A . 10 CYS CA 1 1 9 7933 1 1 10 CYS CB C -0.753 -0.190 -5.688 1.00 . A A . 10 CYS CB 1 1 9 7934 1 1 10 CYS H H 0.249 1.240 -7.570 1.00 . A A . 10 CYS H 1 1 9 7935 1 1 10 CYS HA H -1.929 -0.657 -7.415 1.00 . A A . 10 CYS HA 1 1 9 7936 1 1 10 CYS HB2 H 0.247 -0.489 -5.952 1.00 . A A . 10 CYS HB2 1 1 9 7937 1 1 10 CYS HB3 H -0.704 0.661 -5.020 1.00 . A A . 10 CYS HB3 1 1 9 7938 1 1 10 CYS N N -0.575 0.832 -7.903 1.00 . A A . 10 CYS N 1 1 9 7939 1 1 10 CYS O O -3.742 0.794 -6.320 1.00 . A A . 10 CYS O 1 1 9 7940 1 1 10 CYS SG S -1.530 -1.563 -4.776 1.00 . A A . 10 CYS SG 1 1 9 7941 1 1 11 ALA C C -4.556 3.312 -6.940 1.00 . A A . 11 ALA C 1 1 9 7942 1 1 11 ALA CA C -3.214 3.537 -6.259 1.00 . A A . 11 ALA CA 1 1 9 7943 1 1 11 ALA CB C -2.646 4.893 -6.647 1.00 . A A . 11 ALA CB 1 1 9 7944 1 1 11 ALA H H -1.344 2.715 -6.812 1.00 . A A . 11 ALA H 1 1 9 7945 1 1 11 ALA HA H -3.362 3.527 -5.194 1.00 . A A . 11 ALA HA 1 1 9 7946 1 1 11 ALA HB1 H -2.857 5.087 -7.688 1.00 . A A . 11 ALA HB1 1 1 9 7947 1 1 11 ALA HB2 H -1.577 4.894 -6.490 1.00 . A A . 11 ALA HB2 1 1 9 7948 1 1 11 ALA HB3 H -3.100 5.661 -6.038 1.00 . A A . 11 ALA HB3 1 1 9 7949 1 1 11 ALA N N -2.265 2.476 -6.588 1.00 . A A . 11 ALA N 1 1 9 7950 1 1 11 ALA O O -5.603 3.699 -6.424 1.00 . A A . 11 ALA O 1 1 9 7951 1 1 12 SER C C -6.739 1.657 -7.995 1.00 . A A . 12 SER C 1 1 9 7952 1 1 12 SER CA C -5.716 2.386 -8.862 1.00 . A A . 12 SER CA 1 1 9 7953 1 1 12 SER CB C -5.378 1.543 -10.093 1.00 . A A . 12 SER CB 1 1 9 7954 1 1 12 SER H H -3.644 2.394 -8.452 1.00 . A A . 12 SER H 1 1 9 7955 1 1 12 SER HA H -6.134 3.324 -9.183 1.00 . A A . 12 SER HA 1 1 9 7956 1 1 12 SER HB2 H -4.391 1.803 -10.445 1.00 . A A . 12 SER HB2 1 1 9 7957 1 1 12 SER HB3 H -5.401 0.496 -9.828 1.00 . A A . 12 SER HB3 1 1 9 7958 1 1 12 SER HG H -6.866 0.996 -11.244 1.00 . A A . 12 SER HG 1 1 9 7959 1 1 12 SER N N -4.511 2.676 -8.101 1.00 . A A . 12 SER N 1 1 9 7960 1 1 12 SER O O -7.941 1.905 -8.090 1.00 . A A . 12 SER O 1 1 9 7961 1 1 12 SER OG O -6.308 1.770 -11.138 1.00 . A A . 12 SER OG 1 1 9 7962 1 1 13 ALA C C -7.452 0.789 -5.007 1.00 . A A . 13 ALA C 1 1 9 7963 1 1 13 ALA CA C -7.105 -0.008 -6.260 1.00 . A A . 13 ALA CA 1 1 9 7964 1 1 13 ALA CB C -6.436 -1.322 -5.884 1.00 . A A . 13 ALA CB 1 1 9 7965 1 1 13 ALA H H -5.284 0.606 -7.120 1.00 . A A . 13 ALA H 1 1 9 7966 1 1 13 ALA HA H -8.011 -0.234 -6.795 1.00 . A A . 13 ALA HA 1 1 9 7967 1 1 13 ALA HB1 H -6.312 -1.928 -6.769 1.00 . A A . 13 ALA HB1 1 1 9 7968 1 1 13 ALA HB2 H -7.053 -1.848 -5.170 1.00 . A A . 13 ALA HB2 1 1 9 7969 1 1 13 ALA HB3 H -5.470 -1.121 -5.446 1.00 . A A . 13 ALA HB3 1 1 9 7970 1 1 13 ALA N N -6.247 0.757 -7.148 1.00 . A A . 13 ALA N 1 1 9 7971 1 1 13 ALA O O -8.586 0.751 -4.529 1.00 . A A . 13 ALA O 1 1 9 7972 1 1 14 ILE C C -7.648 3.464 -3.557 1.00 . A A . 14 ILE C 1 1 9 7973 1 1 14 ILE CA C -6.674 2.320 -3.282 1.00 . A A . 14 ILE CA 1 1 9 7974 1 1 14 ILE CB C -5.343 2.905 -2.756 1.00 . A A . 14 ILE CB 1 1 9 7975 1 1 14 ILE CD1 C -3.615 1.156 -3.437 1.00 . A A . 14 ILE CD1 1 1 9 7976 1 1 14 ILE CG1 C -4.398 1.789 -2.304 1.00 . A A . 14 ILE CG1 1 1 9 7977 1 1 14 ILE CG2 C -5.598 3.871 -1.606 1.00 . A A . 14 ILE CG2 1 1 9 7978 1 1 14 ILE H H -5.587 1.505 -4.906 1.00 . A A . 14 ILE H 1 1 9 7979 1 1 14 ILE HA H -7.091 1.681 -2.517 1.00 . A A . 14 ILE HA 1 1 9 7980 1 1 14 ILE HB H -4.877 3.457 -3.559 1.00 . A A . 14 ILE HB 1 1 9 7981 1 1 14 ILE HD11 H -2.591 1.003 -3.127 1.00 . A A . 14 ILE HD11 1 1 9 7982 1 1 14 ILE HD12 H -3.636 1.807 -4.298 1.00 . A A . 14 ILE HD12 1 1 9 7983 1 1 14 ILE HD13 H -4.058 0.206 -3.694 1.00 . A A . 14 ILE HD13 1 1 9 7984 1 1 14 ILE HG12 H -3.688 2.196 -1.596 1.00 . A A . 14 ILE HG12 1 1 9 7985 1 1 14 ILE HG13 H -4.974 1.012 -1.822 1.00 . A A . 14 ILE HG13 1 1 9 7986 1 1 14 ILE HG21 H -5.339 4.873 -1.914 1.00 . A A . 14 ILE HG21 1 1 9 7987 1 1 14 ILE HG22 H -4.994 3.588 -0.757 1.00 . A A . 14 ILE HG22 1 1 9 7988 1 1 14 ILE HG23 H -6.642 3.838 -1.331 1.00 . A A . 14 ILE HG23 1 1 9 7989 1 1 14 ILE N N -6.469 1.513 -4.479 1.00 . A A . 14 ILE N 1 1 9 7990 1 1 14 ILE O O -8.686 3.581 -2.904 1.00 . A A . 14 ILE O 1 1 9 7991 1 1 15 LEU C C -9.565 5.026 -5.193 1.00 . A A . 15 LEU C 1 1 9 7992 1 1 15 LEU CA C -8.133 5.455 -4.878 1.00 . A A . 15 LEU CA 1 1 9 7993 1 1 15 LEU CB C -7.530 6.195 -6.075 1.00 . A A . 15 LEU CB 1 1 9 7994 1 1 15 LEU CD1 C -5.659 7.543 -7.060 1.00 . A A . 15 LEU CD1 1 1 9 7995 1 1 15 LEU CD2 C -6.476 8.042 -4.750 1.00 . A A . 15 LEU CD2 1 1 9 7996 1 1 15 LEU CG C -6.233 6.952 -5.782 1.00 . A A . 15 LEU CG 1 1 9 7997 1 1 15 LEU H H -6.456 4.168 -4.999 1.00 . A A . 15 LEU H 1 1 9 7998 1 1 15 LEU HA H -8.152 6.124 -4.031 1.00 . A A . 15 LEU HA 1 1 9 7999 1 1 15 LEU HB2 H -7.333 5.473 -6.855 1.00 . A A . 15 LEU HB2 1 1 9 8000 1 1 15 LEU HB3 H -8.259 6.903 -6.439 1.00 . A A . 15 LEU HB3 1 1 9 8001 1 1 15 LEU HD11 H -4.897 8.267 -6.811 1.00 . A A . 15 LEU HD11 1 1 9 8002 1 1 15 LEU HD12 H -6.447 8.027 -7.619 1.00 . A A . 15 LEU HD12 1 1 9 8003 1 1 15 LEU HD13 H -5.226 6.755 -7.659 1.00 . A A . 15 LEU HD13 1 1 9 8004 1 1 15 LEU HD21 H -6.692 7.590 -3.793 1.00 . A A . 15 LEU HD21 1 1 9 8005 1 1 15 LEU HD22 H -7.313 8.650 -5.058 1.00 . A A . 15 LEU HD22 1 1 9 8006 1 1 15 LEU HD23 H -5.594 8.660 -4.665 1.00 . A A . 15 LEU HD23 1 1 9 8007 1 1 15 LEU HG H -5.506 6.263 -5.378 1.00 . A A . 15 LEU HG 1 1 9 8008 1 1 15 LEU N N -7.299 4.311 -4.520 1.00 . A A . 15 LEU N 1 1 9 8009 1 1 15 LEU O O -10.452 5.129 -4.346 1.00 . A A . 15 LEU O 1 1 9 8010 1 1 16 SER C C -11.514 2.819 -6.136 1.00 . A A . 16 SER C 1 1 9 8011 1 1 16 SER CA C -11.114 4.115 -6.836 1.00 . A A . 16 SER CA 1 1 9 8012 1 1 16 SER CB C -11.154 3.927 -8.354 1.00 . A A . 16 SER CB 1 1 9 8013 1 1 16 SER H H -9.043 4.495 -7.050 1.00 . A A . 16 SER H 1 1 9 8014 1 1 16 SER HA H -11.817 4.887 -6.561 1.00 . A A . 16 SER HA 1 1 9 8015 1 1 16 SER HB2 H -11.080 4.890 -8.836 1.00 . A A . 16 SER HB2 1 1 9 8016 1 1 16 SER HB3 H -10.324 3.306 -8.659 1.00 . A A . 16 SER HB3 1 1 9 8017 1 1 16 SER HG H -12.377 2.399 -8.446 1.00 . A A . 16 SER HG 1 1 9 8018 1 1 16 SER N N -9.787 4.551 -6.415 1.00 . A A . 16 SER N 1 1 9 8019 1 1 16 SER O O -12.272 2.834 -5.167 1.00 . A A . 16 SER O 1 1 9 8020 1 1 16 SER OG O -12.362 3.306 -8.760 1.00 . A A . 16 SER OG 1 1 9 8021 1 1 17 GLY C C -11.667 -0.632 -7.089 1.00 . A A . 17 GLY C 1 1 9 8022 1 1 17 GLY CA C -11.318 0.411 -6.046 1.00 . A A . 17 GLY CA 1 1 9 8023 1 1 17 GLY H H -10.402 1.747 -7.410 1.00 . A A . 17 GLY H 1 1 9 8024 1 1 17 GLY HA2 H -10.466 0.066 -5.479 1.00 . A A . 17 GLY HA2 1 1 9 8025 1 1 17 GLY HA3 H -12.158 0.531 -5.377 1.00 . A A . 17 GLY HA3 1 1 9 8026 1 1 17 GLY N N -11.000 1.699 -6.635 1.00 . A A . 17 GLY N 1 1 9 8027 1 1 17 GLY O O -12.619 -1.394 -6.920 1.00 . A A . 17 GLY O 1 1 9 8028 1 1 18 ALA C C -11.021 -3.052 -8.736 1.00 . A A . 18 ALA C 1 1 9 8029 1 1 18 ALA CA C -11.125 -1.622 -9.245 1.00 . A A . 18 ALA CA 1 1 9 8030 1 1 18 ALA CB C -10.141 -1.385 -10.381 1.00 . A A . 18 ALA CB 1 1 9 8031 1 1 18 ALA H H -10.152 -0.032 -8.246 1.00 . A A . 18 ALA H 1 1 9 8032 1 1 18 ALA HA H -12.116 -1.464 -9.624 1.00 . A A . 18 ALA HA 1 1 9 8033 1 1 18 ALA HB1 H -10.463 -0.536 -10.965 1.00 . A A . 18 ALA HB1 1 1 9 8034 1 1 18 ALA HB2 H -10.101 -2.261 -11.011 1.00 . A A . 18 ALA HB2 1 1 9 8035 1 1 18 ALA HB3 H -9.160 -1.190 -9.973 1.00 . A A . 18 ALA HB3 1 1 9 8036 1 1 18 ALA N N -10.895 -0.665 -8.170 1.00 . A A . 18 ALA N 1 1 9 8037 1 1 18 ALA O O -12.029 -3.719 -8.502 1.00 . A A . 18 ALA O 1 1 9 8038 1 1 19 LYS C C -8.040 -5.083 -7.859 1.00 . A A . 19 LYS C 1 1 9 8039 1 1 19 LYS CA C -9.535 -4.861 -8.083 1.00 . A A . 19 LYS CA 1 1 9 8040 1 1 19 LYS CB C -10.074 -5.895 -9.076 1.00 . A A . 19 LYS CB 1 1 9 8041 1 1 19 LYS CD C -8.423 -6.234 -10.940 1.00 . A A . 19 LYS CD 1 1 9 8042 1 1 19 LYS CE C -7.674 -5.379 -11.950 1.00 . A A . 19 LYS CE 1 1 9 8043 1 1 19 LYS CG C -9.734 -5.586 -10.526 1.00 . A A . 19 LYS CG 1 1 9 8044 1 1 19 LYS H H -9.041 -2.923 -8.772 1.00 . A A . 19 LYS H 1 1 9 8045 1 1 19 LYS HA H -10.050 -4.977 -7.142 1.00 . A A . 19 LYS HA 1 1 9 8046 1 1 19 LYS HB2 H -9.661 -6.862 -8.830 1.00 . A A . 19 LYS HB2 1 1 9 8047 1 1 19 LYS HB3 H -11.149 -5.939 -8.983 1.00 . A A . 19 LYS HB3 1 1 9 8048 1 1 19 LYS HD2 H -7.804 -6.363 -10.065 1.00 . A A . 19 LYS HD2 1 1 9 8049 1 1 19 LYS HD3 H -8.632 -7.197 -11.381 1.00 . A A . 19 LYS HD3 1 1 9 8050 1 1 19 LYS HE2 H -7.426 -4.435 -11.489 1.00 . A A . 19 LYS HE2 1 1 9 8051 1 1 19 LYS HE3 H -6.766 -5.891 -12.232 1.00 . A A . 19 LYS HE3 1 1 9 8052 1 1 19 LYS HG2 H -10.524 -5.962 -11.158 1.00 . A A . 19 LYS HG2 1 1 9 8053 1 1 19 LYS HG3 H -9.652 -4.516 -10.647 1.00 . A A . 19 LYS HG3 1 1 9 8054 1 1 19 LYS HZ1 H -9.070 -5.954 -13.394 1.00 . A A . 19 LYS HZ1 1 1 9 8055 1 1 19 LYS HZ2 H -7.863 -4.924 -13.980 1.00 . A A . 19 LYS HZ2 1 1 9 8056 1 1 19 LYS HZ3 H -9.110 -4.304 -13.020 1.00 . A A . 19 LYS HZ3 1 1 9 8057 1 1 19 LYS N N -9.793 -3.511 -8.567 1.00 . A A . 19 LYS N 1 1 9 8058 1 1 19 LYS NZ N -8.486 -5.122 -13.171 1.00 . A A . 19 LYS NZ 1 1 9 8059 1 1 19 LYS O O -7.212 -4.603 -8.633 1.00 . A A . 19 LYS O 1 1 9 8060 1 1 20 PRO C C -5.510 -6.673 -7.663 1.00 . A A . 20 PRO C 1 1 9 8061 1 1 20 PRO CA C -6.269 -6.094 -6.473 1.00 . A A . 20 PRO CA 1 1 9 8062 1 1 20 PRO CB C -6.357 -7.124 -5.344 1.00 . A A . 20 PRO CB 1 1 9 8063 1 1 20 PRO CD C -8.594 -6.426 -5.814 1.00 . A A . 20 PRO CD 1 1 9 8064 1 1 20 PRO CG C -7.680 -6.876 -4.708 1.00 . A A . 20 PRO CG 1 1 9 8065 1 1 20 PRO HA H -5.760 -5.210 -6.119 1.00 . A A . 20 PRO HA 1 1 9 8066 1 1 20 PRO HB2 H -6.297 -8.120 -5.757 1.00 . A A . 20 PRO HB2 1 1 9 8067 1 1 20 PRO HB3 H -5.548 -6.967 -4.646 1.00 . A A . 20 PRO HB3 1 1 9 8068 1 1 20 PRO HD2 H -9.108 -7.272 -6.246 1.00 . A A . 20 PRO HD2 1 1 9 8069 1 1 20 PRO HD3 H -9.302 -5.699 -5.446 1.00 . A A . 20 PRO HD3 1 1 9 8070 1 1 20 PRO HG2 H -8.050 -7.788 -4.263 1.00 . A A . 20 PRO HG2 1 1 9 8071 1 1 20 PRO HG3 H -7.589 -6.102 -3.960 1.00 . A A . 20 PRO HG3 1 1 9 8072 1 1 20 PRO N N -7.673 -5.815 -6.791 1.00 . A A . 20 PRO N 1 1 9 8073 1 1 20 PRO O O -6.075 -6.857 -8.741 1.00 . A A . 20 PRO O 1 1 9 8074 1 1 21 SER C C -2.013 -7.881 -7.986 1.00 . A A . 21 SER C 1 1 9 8075 1 1 21 SER CA C -3.395 -7.516 -8.517 1.00 . A A . 21 SER CA 1 1 9 8076 1 1 21 SER CB C -3.265 -6.520 -9.672 1.00 . A A . 21 SER CB 1 1 9 8077 1 1 21 SER H H -3.834 -6.790 -6.579 1.00 . A A . 21 SER H 1 1 9 8078 1 1 21 SER HA H -3.876 -8.411 -8.878 1.00 . A A . 21 SER HA 1 1 9 8079 1 1 21 SER HB2 H -4.096 -5.831 -9.645 1.00 . A A . 21 SER HB2 1 1 9 8080 1 1 21 SER HB3 H -2.340 -5.973 -9.570 1.00 . A A . 21 SER HB3 1 1 9 8081 1 1 21 SER HG H -3.631 -6.605 -11.594 1.00 . A A . 21 SER HG 1 1 9 8082 1 1 21 SER N N -4.229 -6.958 -7.460 1.00 . A A . 21 SER N 1 1 9 8083 1 1 21 SER O O -1.431 -7.148 -7.186 1.00 . A A . 21 SER O 1 1 9 8084 1 1 21 SER OG O -3.267 -7.186 -10.922 1.00 . A A . 21 SER OG 1 1 9 8085 1 1 22 GLY C C 0.904 -8.449 -8.290 1.00 . A A . 22 GLY C 1 1 9 8086 1 1 22 GLY CA C -0.185 -9.463 -7.995 1.00 . A A . 22 GLY CA 1 1 9 8087 1 1 22 GLY H H -2.005 -9.562 -9.072 1.00 . A A . 22 GLY H 1 1 9 8088 1 1 22 GLY HA2 H -0.216 -9.641 -6.930 1.00 . A A . 22 GLY HA2 1 1 9 8089 1 1 22 GLY HA3 H 0.056 -10.389 -8.496 1.00 . A A . 22 GLY HA3 1 1 9 8090 1 1 22 GLY N N -1.494 -9.019 -8.435 1.00 . A A . 22 GLY N 1 1 9 8091 1 1 22 GLY O O 1.936 -8.424 -7.619 1.00 . A A . 22 GLY O 1 1 9 8092 1 1 23 GLU C C 1.996 -5.707 -8.505 1.00 . A A . 23 GLU C 1 1 9 8093 1 1 23 GLU CA C 1.634 -6.599 -9.688 1.00 . A A . 23 GLU CA 1 1 9 8094 1 1 23 GLU CB C 1.044 -5.756 -10.814 1.00 . A A . 23 GLU CB 1 1 9 8095 1 1 23 GLU CD C 2.288 -3.647 -11.414 1.00 . A A . 23 GLU CD 1 1 9 8096 1 1 23 GLU CG C 2.094 -5.124 -11.696 1.00 . A A . 23 GLU CG 1 1 9 8097 1 1 23 GLU H H -0.159 -7.681 -9.800 1.00 . A A . 23 GLU H 1 1 9 8098 1 1 23 GLU HA H 2.524 -7.094 -10.044 1.00 . A A . 23 GLU HA 1 1 9 8099 1 1 23 GLU HB2 H 0.417 -6.387 -11.431 1.00 . A A . 23 GLU HB2 1 1 9 8100 1 1 23 GLU HB3 H 0.442 -4.968 -10.383 1.00 . A A . 23 GLU HB3 1 1 9 8101 1 1 23 GLU HG2 H 3.027 -5.635 -11.531 1.00 . A A . 23 GLU HG2 1 1 9 8102 1 1 23 GLU HG3 H 1.793 -5.246 -12.724 1.00 . A A . 23 GLU HG3 1 1 9 8103 1 1 23 GLU N N 0.675 -7.614 -9.298 1.00 . A A . 23 GLU N 1 1 9 8104 1 1 23 GLU O O 3.171 -5.456 -8.238 1.00 . A A . 23 GLU O 1 1 9 8105 1 1 23 GLU OE1 O 1.315 -2.992 -10.984 1.00 . A A . 23 GLU OE1 1 1 9 8106 1 1 23 GLU OE2 O 3.413 -3.146 -11.621 1.00 . A A . 23 GLU OE2 1 1 9 8107 1 1 24 CYS C C 2.060 -5.037 -5.607 1.00 . A A . 24 CYS C 1 1 9 8108 1 1 24 CYS CA C 1.178 -4.363 -6.649 1.00 . A A . 24 CYS CA 1 1 9 8109 1 1 24 CYS CB C -0.167 -3.974 -6.027 1.00 . A A . 24 CYS CB 1 1 9 8110 1 1 24 CYS H H 0.063 -5.462 -8.065 1.00 . A A . 24 CYS H 1 1 9 8111 1 1 24 CYS HA H 1.670 -3.479 -6.996 1.00 . A A . 24 CYS HA 1 1 9 8112 1 1 24 CYS HB2 H -0.754 -3.442 -6.761 1.00 . A A . 24 CYS HB2 1 1 9 8113 1 1 24 CYS HB3 H -0.693 -4.872 -5.736 1.00 . A A . 24 CYS HB3 1 1 9 8114 1 1 24 CYS N N 0.974 -5.229 -7.801 1.00 . A A . 24 CYS N 1 1 9 8115 1 1 24 CYS O O 2.871 -4.388 -4.946 1.00 . A A . 24 CYS O 1 1 9 8116 1 1 24 CYS SG S -0.026 -2.909 -4.554 1.00 . A A . 24 CYS SG 1 1 9 8117 1 1 25 CYS C C 4.150 -7.123 -4.882 1.00 . A A . 25 CYS C 1 1 9 8118 1 1 25 CYS CA C 2.671 -7.123 -4.513 1.00 . A A . 25 CYS CA 1 1 9 8119 1 1 25 CYS CB C 2.152 -8.561 -4.451 1.00 . A A . 25 CYS CB 1 1 9 8120 1 1 25 CYS H H 1.233 -6.795 -6.033 1.00 . A A . 25 CYS H 1 1 9 8121 1 1 25 CYS HA H 2.554 -6.666 -3.543 1.00 . A A . 25 CYS HA 1 1 9 8122 1 1 25 CYS HB2 H 2.056 -8.945 -5.455 1.00 . A A . 25 CYS HB2 1 1 9 8123 1 1 25 CYS HB3 H 2.861 -9.168 -3.907 1.00 . A A . 25 CYS HB3 1 1 9 8124 1 1 25 CYS N N 1.895 -6.344 -5.472 1.00 . A A . 25 CYS N 1 1 9 8125 1 1 25 CYS O O 5.017 -7.022 -4.014 1.00 . A A . 25 CYS O 1 1 9 8126 1 1 25 CYS SG S 0.532 -8.735 -3.636 1.00 . A A . 25 CYS SG 1 1 9 8127 1 1 26 GLY C C 6.533 -5.955 -6.356 1.00 . A A . 26 GLY C 1 1 9 8128 1 1 26 GLY CA C 5.805 -7.255 -6.638 1.00 . A A . 26 GLY CA 1 1 9 8129 1 1 26 GLY H H 3.698 -7.319 -6.821 1.00 . A A . 26 GLY H 1 1 9 8130 1 1 26 GLY HA2 H 6.329 -8.061 -6.145 1.00 . A A . 26 GLY HA2 1 1 9 8131 1 1 26 GLY HA3 H 5.812 -7.435 -7.703 1.00 . A A . 26 GLY HA3 1 1 9 8132 1 1 26 GLY N N 4.431 -7.240 -6.175 1.00 . A A . 26 GLY N 1 1 9 8133 1 1 26 GLY O O 7.693 -5.964 -5.943 1.00 . A A . 26 GLY O 1 1 9 8134 1 1 27 ASN C C 6.746 -3.309 -4.891 1.00 . A A . 27 ASN C 1 1 9 8135 1 1 27 ASN CA C 6.449 -3.527 -6.362 1.00 . A A . 27 ASN CA 1 1 9 8136 1 1 27 ASN CB C 5.529 -2.423 -6.883 1.00 . A A . 27 ASN CB 1 1 9 8137 1 1 27 ASN CG C 5.165 -2.614 -8.342 1.00 . A A . 27 ASN CG 1 1 9 8138 1 1 27 ASN H H 4.943 -4.886 -6.919 1.00 . A A . 27 ASN H 1 1 9 8139 1 1 27 ASN HA H 7.368 -3.498 -6.900 1.00 . A A . 27 ASN HA 1 1 9 8140 1 1 27 ASN HB2 H 4.618 -2.418 -6.302 1.00 . A A . 27 ASN HB2 1 1 9 8141 1 1 27 ASN HB3 H 6.025 -1.471 -6.775 1.00 . A A . 27 ASN HB3 1 1 9 8142 1 1 27 ASN HD21 H 6.849 -1.719 -8.905 1.00 . A A . 27 ASN HD21 1 1 9 8143 1 1 27 ASN HD22 H 5.822 -2.260 -10.185 1.00 . A A . 27 ASN HD22 1 1 9 8144 1 1 27 ASN N N 5.857 -4.834 -6.586 1.00 . A A . 27 ASN N 1 1 9 8145 1 1 27 ASN ND2 N 6.033 -2.151 -9.234 1.00 . A A . 27 ASN ND2 1 1 9 8146 1 1 27 ASN O O 7.898 -3.123 -4.497 1.00 . A A . 27 ASN O 1 1 9 8147 1 1 27 ASN OD1 O 4.115 -3.171 -8.665 1.00 . A A . 27 ASN OD1 1 1 9 8148 1 1 28 LEU C C 6.914 -4.087 -2.091 1.00 . A A . 28 LEU C 1 1 9 8149 1 1 28 LEU CA C 5.847 -3.150 -2.645 1.00 . A A . 28 LEU CA 1 1 9 8150 1 1 28 LEU CB C 4.517 -3.378 -1.925 1.00 . A A . 28 LEU CB 1 1 9 8151 1 1 28 LEU CD1 C 4.517 -5.710 -1.006 1.00 . A A . 28 LEU CD1 1 1 9 8152 1 1 28 LEU CD2 C 2.421 -4.749 -1.978 1.00 . A A . 28 LEU CD2 1 1 9 8153 1 1 28 LEU CG C 3.941 -4.783 -2.066 1.00 . A A . 28 LEU CG 1 1 9 8154 1 1 28 LEU H H 4.818 -3.495 -4.463 1.00 . A A . 28 LEU H 1 1 9 8155 1 1 28 LEU HA H 6.158 -2.139 -2.484 1.00 . A A . 28 LEU HA 1 1 9 8156 1 1 28 LEU HB2 H 4.661 -3.174 -0.874 1.00 . A A . 28 LEU HB2 1 1 9 8157 1 1 28 LEU HB3 H 3.795 -2.677 -2.315 1.00 . A A . 28 LEU HB3 1 1 9 8158 1 1 28 LEU HD11 H 5.536 -5.960 -1.261 1.00 . A A . 28 LEU HD11 1 1 9 8159 1 1 28 LEU HD12 H 3.927 -6.613 -0.961 1.00 . A A . 28 LEU HD12 1 1 9 8160 1 1 28 LEU HD13 H 4.497 -5.217 -0.046 1.00 . A A . 28 LEU HD13 1 1 9 8161 1 1 28 LEU HD21 H 2.106 -3.817 -1.531 1.00 . A A . 28 LEU HD21 1 1 9 8162 1 1 28 LEU HD22 H 2.075 -5.573 -1.372 1.00 . A A . 28 LEU HD22 1 1 9 8163 1 1 28 LEU HD23 H 2.001 -4.831 -2.969 1.00 . A A . 28 LEU HD23 1 1 9 8164 1 1 28 LEU HG H 4.214 -5.172 -3.032 1.00 . A A . 28 LEU HG 1 1 9 8165 1 1 28 LEU N N 5.701 -3.338 -4.082 1.00 . A A . 28 LEU N 1 1 9 8166 1 1 28 LEU O O 7.532 -3.808 -1.064 1.00 . A A . 28 LEU O 1 1 9 8167 1 1 29 ARG C C 9.487 -5.591 -2.330 1.00 . A A . 29 ARG C 1 1 9 8168 1 1 29 ARG CA C 8.101 -6.187 -2.385 1.00 . A A . 29 ARG CA 1 1 9 8169 1 1 29 ARG CB C 8.080 -7.370 -3.350 1.00 . A A . 29 ARG CB 1 1 9 8170 1 1 29 ARG CD C 6.835 -9.544 -3.234 1.00 . A A . 29 ARG CD 1 1 9 8171 1 1 29 ARG CG C 7.953 -8.703 -2.648 1.00 . A A . 29 ARG CG 1 1 9 8172 1 1 29 ARG CZ C 5.289 -11.243 -2.348 1.00 . A A . 29 ARG CZ 1 1 9 8173 1 1 29 ARG H H 6.597 -5.368 -3.587 1.00 . A A . 29 ARG H 1 1 9 8174 1 1 29 ARG HA H 7.838 -6.520 -1.411 1.00 . A A . 29 ARG HA 1 1 9 8175 1 1 29 ARG HB2 H 7.244 -7.256 -4.024 1.00 . A A . 29 ARG HB2 1 1 9 8176 1 1 29 ARG HB3 H 8.996 -7.373 -3.923 1.00 . A A . 29 ARG HB3 1 1 9 8177 1 1 29 ARG HD2 H 6.216 -8.918 -3.860 1.00 . A A . 29 ARG HD2 1 1 9 8178 1 1 29 ARG HD3 H 7.269 -10.334 -3.829 1.00 . A A . 29 ARG HD3 1 1 9 8179 1 1 29 ARG HE H 5.999 -9.684 -1.317 1.00 . A A . 29 ARG HE 1 1 9 8180 1 1 29 ARG HG2 H 8.883 -9.240 -2.743 1.00 . A A . 29 ARG HG2 1 1 9 8181 1 1 29 ARG HG3 H 7.743 -8.520 -1.606 1.00 . A A . 29 ARG HG3 1 1 9 8182 1 1 29 ARG HH11 H 5.786 -11.505 -4.291 1.00 . A A . 29 ARG HH11 1 1 9 8183 1 1 29 ARG HH12 H 4.721 -12.699 -3.631 1.00 . A A . 29 ARG HH12 1 1 9 8184 1 1 29 ARG HH21 H 4.602 -11.260 -0.450 1.00 . A A . 29 ARG HH21 1 1 9 8185 1 1 29 ARG HH22 H 4.046 -12.559 -1.451 1.00 . A A . 29 ARG HH22 1 1 9 8186 1 1 29 ARG N N 7.121 -5.202 -2.786 1.00 . A A . 29 ARG N 1 1 9 8187 1 1 29 ARG NE N 6.009 -10.135 -2.189 1.00 . A A . 29 ARG NE 1 1 9 8188 1 1 29 ARG NH1 N 5.263 -11.866 -3.520 1.00 . A A . 29 ARG NH1 1 1 9 8189 1 1 29 ARG NH2 N 4.588 -11.727 -1.333 1.00 . A A . 29 ARG NH2 1 1 9 8190 1 1 29 ARG O O 10.156 -5.633 -1.297 1.00 . A A . 29 ARG O 1 1 9 8191 1 1 30 ALA C C 11.418 -3.453 -2.345 1.00 . A A . 30 ALA C 1 1 9 8192 1 1 30 ALA CA C 11.218 -4.399 -3.521 1.00 . A A . 30 ALA CA 1 1 9 8193 1 1 30 ALA CB C 11.378 -3.657 -4.840 1.00 . A A . 30 ALA CB 1 1 9 8194 1 1 30 ALA H H 9.321 -5.016 -4.224 1.00 . A A . 30 ALA H 1 1 9 8195 1 1 30 ALA HA H 11.958 -5.178 -3.477 1.00 . A A . 30 ALA HA 1 1 9 8196 1 1 30 ALA HB1 H 11.143 -2.612 -4.696 1.00 . A A . 30 ALA HB1 1 1 9 8197 1 1 30 ALA HB2 H 10.708 -4.079 -5.574 1.00 . A A . 30 ALA HB2 1 1 9 8198 1 1 30 ALA HB3 H 12.397 -3.752 -5.185 1.00 . A A . 30 ALA HB3 1 1 9 8199 1 1 30 ALA N N 9.909 -5.023 -3.444 1.00 . A A . 30 ALA N 1 1 9 8200 1 1 30 ALA O O 12.544 -3.194 -1.920 1.00 . A A . 30 ALA O 1 1 9 8201 1 1 31 GLN C C 10.469 -2.825 0.625 1.00 . A A . 31 GLN C 1 1 9 8202 1 1 31 GLN CA C 10.333 -2.049 -0.679 1.00 . A A . 31 GLN CA 1 1 9 8203 1 1 31 GLN CB C 9.076 -1.175 -0.656 1.00 . A A . 31 GLN CB 1 1 9 8204 1 1 31 GLN CD C 8.027 0.642 -2.041 1.00 . A A . 31 GLN CD 1 1 9 8205 1 1 31 GLN CG C 8.604 -0.756 -2.036 1.00 . A A . 31 GLN CG 1 1 9 8206 1 1 31 GLN H H 9.437 -3.222 -2.195 1.00 . A A . 31 GLN H 1 1 9 8207 1 1 31 GLN HA H 11.196 -1.412 -0.787 1.00 . A A . 31 GLN HA 1 1 9 8208 1 1 31 GLN HB2 H 8.277 -1.717 -0.176 1.00 . A A . 31 GLN HB2 1 1 9 8209 1 1 31 GLN HB3 H 9.283 -0.278 -0.089 1.00 . A A . 31 GLN HB3 1 1 9 8210 1 1 31 GLN HE21 H 9.702 1.348 -2.847 1.00 . A A . 31 GLN HE21 1 1 9 8211 1 1 31 GLN HE22 H 8.460 2.515 -2.530 1.00 . A A . 31 GLN HE22 1 1 9 8212 1 1 31 GLN HG2 H 9.444 -0.785 -2.714 1.00 . A A . 31 GLN HG2 1 1 9 8213 1 1 31 GLN HG3 H 7.847 -1.446 -2.371 1.00 . A A . 31 GLN HG3 1 1 9 8214 1 1 31 GLN N N 10.305 -2.954 -1.818 1.00 . A A . 31 GLN N 1 1 9 8215 1 1 31 GLN NE2 N 8.807 1.598 -2.523 1.00 . A A . 31 GLN NE2 1 1 9 8216 1 1 31 GLN O O 11.519 -2.801 1.268 1.00 . A A . 31 GLN O 1 1 9 8217 1 1 31 GLN OE1 O 6.895 0.861 -1.612 1.00 . A A . 31 GLN OE1 1 1 9 8218 1 1 32 GLN C C 9.948 -3.497 3.422 1.00 . A A . 32 GLN C 1 1 9 8219 1 1 32 GLN CA C 9.376 -4.290 2.248 1.00 . A A . 32 GLN CA 1 1 9 8220 1 1 32 GLN CB C 10.161 -5.581 2.059 1.00 . A A . 32 GLN CB 1 1 9 8221 1 1 32 GLN CD C 9.383 -7.968 1.767 1.00 . A A . 32 GLN CD 1 1 9 8222 1 1 32 GLN CG C 9.505 -6.787 2.710 1.00 . A A . 32 GLN CG 1 1 9 8223 1 1 32 GLN H H 8.586 -3.486 0.460 1.00 . A A . 32 GLN H 1 1 9 8224 1 1 32 GLN HA H 8.347 -4.537 2.467 1.00 . A A . 32 GLN HA 1 1 9 8225 1 1 32 GLN HB2 H 10.255 -5.775 1.002 1.00 . A A . 32 GLN HB2 1 1 9 8226 1 1 32 GLN HB3 H 11.143 -5.455 2.484 1.00 . A A . 32 GLN HB3 1 1 9 8227 1 1 32 GLN HE21 H 7.765 -7.166 0.936 1.00 . A A . 32 GLN HE21 1 1 9 8228 1 1 32 GLN HE22 H 8.264 -8.688 0.291 1.00 . A A . 32 GLN HE22 1 1 9 8229 1 1 32 GLN HG2 H 10.097 -7.085 3.563 1.00 . A A . 32 GLN HG2 1 1 9 8230 1 1 32 GLN HG3 H 8.516 -6.504 3.040 1.00 . A A . 32 GLN HG3 1 1 9 8231 1 1 32 GLN N N 9.392 -3.508 1.015 1.00 . A A . 32 GLN N 1 1 9 8232 1 1 32 GLN NE2 N 8.369 -7.937 0.911 1.00 . A A . 32 GLN NE2 1 1 9 8233 1 1 32 GLN O O 10.364 -4.070 4.429 1.00 . A A . 32 GLN O 1 1 9 8234 1 1 32 GLN OE1 O 10.191 -8.895 1.807 1.00 . A A . 32 GLN OE1 1 1 9 8235 1 1 33 GLY C C 9.711 -0.017 4.425 1.00 . A A . 33 GLY C 1 1 9 8236 1 1 33 GLY CA C 10.476 -1.320 4.333 1.00 . A A . 33 GLY CA 1 1 9 8237 1 1 33 GLY H H 9.613 -1.780 2.460 1.00 . A A . 33 GLY H 1 1 9 8238 1 1 33 GLY HA2 H 10.402 -1.839 5.277 1.00 . A A . 33 GLY HA2 1 1 9 8239 1 1 33 GLY HA3 H 11.514 -1.104 4.130 1.00 . A A . 33 GLY HA3 1 1 9 8240 1 1 33 GLY N N 9.960 -2.177 3.284 1.00 . A A . 33 GLY N 1 1 9 8241 1 1 33 GLY O O 8.824 0.131 5.266 1.00 . A A . 33 GLY O 1 1 9 8242 1 1 34 CYS C C 7.892 2.048 3.300 1.00 . A A . 34 CYS C 1 1 9 8243 1 1 34 CYS CA C 9.382 2.220 3.535 1.00 . A A . 34 CYS CA 1 1 9 8244 1 1 34 CYS CB C 9.983 3.115 2.465 1.00 . A A . 34 CYS CB 1 1 9 8245 1 1 34 CYS H H 10.756 0.751 2.906 1.00 . A A . 34 CYS H 1 1 9 8246 1 1 34 CYS HA H 9.528 2.671 4.482 1.00 . A A . 34 CYS HA 1 1 9 8247 1 1 34 CYS HB2 H 11.039 2.901 2.375 1.00 . A A . 34 CYS HB2 1 1 9 8248 1 1 34 CYS HB3 H 9.497 2.898 1.539 1.00 . A A . 34 CYS HB3 1 1 9 8249 1 1 34 CYS N N 10.048 0.928 3.553 1.00 . A A . 34 CYS N 1 1 9 8250 1 1 34 CYS O O 7.069 2.743 3.894 1.00 . A A . 34 CYS O 1 1 9 8251 1 1 34 CYS SG S 9.797 4.899 2.782 1.00 . A A . 34 CYS SG 1 1 9 8252 1 1 35 PHE C C 5.393 0.620 3.434 1.00 . A A . 35 PHE C 1 1 9 8253 1 1 35 PHE CA C 6.164 0.792 2.137 1.00 . A A . 35 PHE CA 1 1 9 8254 1 1 35 PHE CB C 6.101 -0.465 1.251 1.00 . A A . 35 PHE CB 1 1 9 8255 1 1 35 PHE CD1 C 3.766 -1.152 1.940 1.00 . A A . 35 PHE CD1 1 1 9 8256 1 1 35 PHE CD2 C 5.428 -2.842 1.675 1.00 . A A . 35 PHE CD2 1 1 9 8257 1 1 35 PHE CE1 C 2.837 -2.118 2.281 1.00 . A A . 35 PHE CE1 1 1 9 8258 1 1 35 PHE CE2 C 4.506 -3.810 2.016 1.00 . A A . 35 PHE CE2 1 1 9 8259 1 1 35 PHE CG C 5.073 -1.503 1.634 1.00 . A A . 35 PHE CG 1 1 9 8260 1 1 35 PHE CZ C 3.208 -3.449 2.320 1.00 . A A . 35 PHE CZ 1 1 9 8261 1 1 35 PHE H H 8.268 0.571 2.024 1.00 . A A . 35 PHE H 1 1 9 8262 1 1 35 PHE HA H 5.754 1.629 1.602 1.00 . A A . 35 PHE HA 1 1 9 8263 1 1 35 PHE HB2 H 5.895 -0.166 0.237 1.00 . A A . 35 PHE HB2 1 1 9 8264 1 1 35 PHE HB3 H 7.070 -0.943 1.283 1.00 . A A . 35 PHE HB3 1 1 9 8265 1 1 35 PHE HD1 H 3.474 -0.113 1.912 1.00 . A A . 35 PHE HD1 1 1 9 8266 1 1 35 PHE HD2 H 6.440 -3.129 1.434 1.00 . A A . 35 PHE HD2 1 1 9 8267 1 1 35 PHE HE1 H 1.823 -1.833 2.517 1.00 . A A . 35 PHE HE1 1 1 9 8268 1 1 35 PHE HE2 H 4.801 -4.849 2.044 1.00 . A A . 35 PHE HE2 1 1 9 8269 1 1 35 PHE HZ H 2.484 -4.204 2.587 1.00 . A A . 35 PHE HZ 1 1 9 8270 1 1 35 PHE N N 7.557 1.095 2.445 1.00 . A A . 35 PHE N 1 1 9 8271 1 1 35 PHE O O 4.276 1.115 3.589 1.00 . A A . 35 PHE O 1 1 9 8272 1 1 36 CYS C C 5.535 1.001 6.508 1.00 . A A . 36 CYS C 1 1 9 8273 1 1 36 CYS CA C 5.443 -0.280 5.685 1.00 . A A . 36 CYS CA 1 1 9 8274 1 1 36 CYS CB C 6.161 -1.423 6.406 1.00 . A A . 36 CYS CB 1 1 9 8275 1 1 36 CYS H H 6.924 -0.400 4.175 1.00 . A A . 36 CYS H 1 1 9 8276 1 1 36 CYS HA H 4.403 -0.539 5.551 1.00 . A A . 36 CYS HA 1 1 9 8277 1 1 36 CYS HB2 H 6.464 -2.162 5.680 1.00 . A A . 36 CYS HB2 1 1 9 8278 1 1 36 CYS HB3 H 7.037 -1.031 6.901 1.00 . A A . 36 CYS HB3 1 1 9 8279 1 1 36 CYS N N 6.027 -0.059 4.371 1.00 . A A . 36 CYS N 1 1 9 8280 1 1 36 CYS O O 4.663 1.296 7.324 1.00 . A A . 36 CYS O 1 1 9 8281 1 1 36 CYS SG S 5.144 -2.266 7.662 1.00 . A A . 36 CYS SG 1 1 9 8282 1 1 37 GLN C C 5.716 4.013 6.675 1.00 . A A . 37 GLN C 1 1 9 8283 1 1 37 GLN CA C 6.827 3.016 6.978 1.00 . A A . 37 GLN CA 1 1 9 8284 1 1 37 GLN CB C 8.178 3.622 6.585 1.00 . A A . 37 GLN CB 1 1 9 8285 1 1 37 GLN CD C 10.669 3.581 7.010 1.00 . A A . 37 GLN CD 1 1 9 8286 1 1 37 GLN CG C 9.377 2.785 7.002 1.00 . A A . 37 GLN CG 1 1 9 8287 1 1 37 GLN H H 7.259 1.473 5.615 1.00 . A A . 37 GLN H 1 1 9 8288 1 1 37 GLN HA H 6.828 2.803 8.026 1.00 . A A . 37 GLN HA 1 1 9 8289 1 1 37 GLN HB2 H 8.207 3.741 5.513 1.00 . A A . 37 GLN HB2 1 1 9 8290 1 1 37 GLN HB3 H 8.269 4.594 7.047 1.00 . A A . 37 GLN HB3 1 1 9 8291 1 1 37 GLN HE21 H 10.594 3.796 5.030 1.00 . A A . 37 GLN HE21 1 1 9 8292 1 1 37 GLN HE22 H 11.946 4.529 5.814 1.00 . A A . 37 GLN HE22 1 1 9 8293 1 1 37 GLN HG2 H 9.203 2.400 7.995 1.00 . A A . 37 GLN HG2 1 1 9 8294 1 1 37 GLN HG3 H 9.483 1.961 6.312 1.00 . A A . 37 GLN HG3 1 1 9 8295 1 1 37 GLN N N 6.605 1.763 6.276 1.00 . A A . 37 GLN N 1 1 9 8296 1 1 37 GLN NE2 N 11.114 4.012 5.832 1.00 . A A . 37 GLN NE2 1 1 9 8297 1 1 37 GLN O O 5.353 4.834 7.518 1.00 . A A . 37 GLN O 1 1 9 8298 1 1 37 GLN OE1 O 11.261 3.810 8.065 1.00 . A A . 37 GLN OE1 1 1 9 8299 1 1 38 TYR C C 2.893 4.710 5.932 1.00 . A A . 38 TYR C 1 1 9 8300 1 1 38 TYR CA C 4.120 4.833 5.032 1.00 . A A . 38 TYR CA 1 1 9 8301 1 1 38 TYR CB C 3.734 4.541 3.580 1.00 . A A . 38 TYR CB 1 1 9 8302 1 1 38 TYR CD1 C 4.394 6.655 2.367 1.00 . A A . 38 TYR CD1 1 1 9 8303 1 1 38 TYR CD2 C 5.540 4.638 1.819 1.00 . A A . 38 TYR CD2 1 1 9 8304 1 1 38 TYR CE1 C 5.158 7.344 1.445 1.00 . A A . 38 TYR CE1 1 1 9 8305 1 1 38 TYR CE2 C 6.308 5.320 0.895 1.00 . A A . 38 TYR CE2 1 1 9 8306 1 1 38 TYR CG C 4.572 5.291 2.570 1.00 . A A . 38 TYR CG 1 1 9 8307 1 1 38 TYR CZ C 6.114 6.673 0.712 1.00 . A A . 38 TYR CZ 1 1 9 8308 1 1 38 TYR H H 5.527 3.260 4.839 1.00 . A A . 38 TYR H 1 1 9 8309 1 1 38 TYR HA H 4.495 5.843 5.095 1.00 . A A . 38 TYR HA 1 1 9 8310 1 1 38 TYR HB2 H 3.851 3.484 3.389 1.00 . A A . 38 TYR HB2 1 1 9 8311 1 1 38 TYR HB3 H 2.701 4.817 3.427 1.00 . A A . 38 TYR HB3 1 1 9 8312 1 1 38 TYR HD1 H 3.645 7.178 2.943 1.00 . A A . 38 TYR HD1 1 1 9 8313 1 1 38 TYR HD2 H 5.690 3.578 1.964 1.00 . A A . 38 TYR HD2 1 1 9 8314 1 1 38 TYR HE1 H 5.006 8.404 1.302 1.00 . A A . 38 TYR HE1 1 1 9 8315 1 1 38 TYR HE2 H 7.057 4.794 0.321 1.00 . A A . 38 TYR HE2 1 1 9 8316 1 1 38 TYR HH H 7.797 7.343 0.067 1.00 . A A . 38 TYR HH 1 1 9 8317 1 1 38 TYR N N 5.187 3.936 5.462 1.00 . A A . 38 TYR N 1 1 9 8318 1 1 38 TYR O O 2.050 5.607 5.971 1.00 . A A . 38 TYR O 1 1 9 8319 1 1 38 TYR OH O 6.877 7.356 -0.207 1.00 . A A . 38 TYR OH 1 1 9 8320 1 1 39 ALA C C 1.442 4.537 8.493 1.00 . A A . 39 ALA C 1 1 9 8321 1 1 39 ALA CA C 1.668 3.360 7.550 1.00 . A A . 39 ALA CA 1 1 9 8322 1 1 39 ALA CB C 1.887 2.083 8.345 1.00 . A A . 39 ALA CB 1 1 9 8323 1 1 39 ALA H H 3.491 2.915 6.581 1.00 . A A . 39 ALA H 1 1 9 8324 1 1 39 ALA HA H 0.792 3.229 6.942 1.00 . A A . 39 ALA HA 1 1 9 8325 1 1 39 ALA HB1 H 1.231 2.077 9.202 1.00 . A A . 39 ALA HB1 1 1 9 8326 1 1 39 ALA HB2 H 2.914 2.037 8.676 1.00 . A A . 39 ALA HB2 1 1 9 8327 1 1 39 ALA HB3 H 1.671 1.229 7.720 1.00 . A A . 39 ALA HB3 1 1 9 8328 1 1 39 ALA N N 2.794 3.596 6.654 1.00 . A A . 39 ALA N 1 1 9 8329 1 1 39 ALA O O 0.332 4.749 8.982 1.00 . A A . 39 ALA O 1 1 9 8330 1 1 40 LYS C C 2.539 7.757 8.848 1.00 . A A . 40 LYS C 1 1 9 8331 1 1 40 LYS CA C 2.418 6.454 9.632 1.00 . A A . 40 LYS CA 1 1 9 8332 1 1 40 LYS CB C 3.511 6.380 10.701 1.00 . A A . 40 LYS CB 1 1 9 8333 1 1 40 LYS CD C 2.572 4.501 12.080 1.00 . A A . 40 LYS CD 1 1 9 8334 1 1 40 LYS CE C 3.758 3.575 12.297 1.00 . A A . 40 LYS CE 1 1 9 8335 1 1 40 LYS CG C 2.997 5.960 12.069 1.00 . A A . 40 LYS CG 1 1 9 8336 1 1 40 LYS H H 3.355 5.076 8.326 1.00 . A A . 40 LYS H 1 1 9 8337 1 1 40 LYS HA H 1.455 6.430 10.115 1.00 . A A . 40 LYS HA 1 1 9 8338 1 1 40 LYS HB2 H 4.258 5.666 10.387 1.00 . A A . 40 LYS HB2 1 1 9 8339 1 1 40 LYS HB3 H 3.973 7.352 10.797 1.00 . A A . 40 LYS HB3 1 1 9 8340 1 1 40 LYS HD2 H 1.860 4.349 12.878 1.00 . A A . 40 LYS HD2 1 1 9 8341 1 1 40 LYS HD3 H 2.109 4.263 11.133 1.00 . A A . 40 LYS HD3 1 1 9 8342 1 1 40 LYS HE2 H 4.017 3.116 11.354 1.00 . A A . 40 LYS HE2 1 1 9 8343 1 1 40 LYS HE3 H 4.594 4.158 12.654 1.00 . A A . 40 LYS HE3 1 1 9 8344 1 1 40 LYS HG2 H 3.782 6.101 12.796 1.00 . A A . 40 LYS HG2 1 1 9 8345 1 1 40 LYS HG3 H 2.148 6.576 12.328 1.00 . A A . 40 LYS HG3 1 1 9 8346 1 1 40 LYS HZ1 H 4.304 2.280 13.843 1.00 . A A . 40 LYS HZ1 1 1 9 8347 1 1 40 LYS HZ2 H 3.136 1.644 12.798 1.00 . A A . 40 LYS HZ2 1 1 9 8348 1 1 40 LYS HZ3 H 2.703 2.820 13.934 1.00 . A A . 40 LYS HZ3 1 1 9 8349 1 1 40 LYS N N 2.499 5.298 8.745 1.00 . A A . 40 LYS N 1 1 9 8350 1 1 40 LYS NZ N 3.454 2.505 13.287 1.00 . A A . 40 LYS NZ 1 1 9 8351 1 1 40 LYS O O 2.101 8.812 9.307 1.00 . A A . 40 LYS O 1 1 9 8352 1 1 41 ASP C C 1.962 9.474 6.464 1.00 . A A . 41 ASP C 1 1 9 8353 1 1 41 ASP CA C 3.312 8.848 6.815 1.00 . A A . 41 ASP CA 1 1 9 8354 1 1 41 ASP CB C 4.057 8.461 5.536 1.00 . A A . 41 ASP CB 1 1 9 8355 1 1 41 ASP CG C 4.512 9.670 4.741 1.00 . A A . 41 ASP CG 1 1 9 8356 1 1 41 ASP H H 3.460 6.808 7.353 1.00 . A A . 41 ASP H 1 1 9 8357 1 1 41 ASP HA H 3.903 9.566 7.361 1.00 . A A . 41 ASP HA 1 1 9 8358 1 1 41 ASP HB2 H 4.930 7.878 5.798 1.00 . A A . 41 ASP HB2 1 1 9 8359 1 1 41 ASP HB3 H 3.403 7.866 4.912 1.00 . A A . 41 ASP HB3 1 1 9 8360 1 1 41 ASP N N 3.134 7.676 7.664 1.00 . A A . 41 ASP N 1 1 9 8361 1 1 41 ASP O O 1.147 8.859 5.775 1.00 . A A . 41 ASP O 1 1 9 8362 1 1 41 ASP OD1 O 4.302 10.807 5.215 1.00 . A A . 41 ASP OD1 1 1 9 8363 1 1 41 ASP OD2 O 5.079 9.479 3.645 1.00 . A A . 41 ASP OD2 1 1 9 8364 1 1 42 PRO C C 0.386 12.040 5.283 1.00 . A A . 42 PRO C 1 1 9 8365 1 1 42 PRO CA C 0.438 11.403 6.672 1.00 . A A . 42 PRO CA 1 1 9 8366 1 1 42 PRO CB C 0.411 12.481 7.752 1.00 . A A . 42 PRO CB 1 1 9 8367 1 1 42 PRO CD C 2.607 11.518 7.776 1.00 . A A . 42 PRO CD 1 1 9 8368 1 1 42 PRO CG C 1.846 12.800 7.997 1.00 . A A . 42 PRO CG 1 1 9 8369 1 1 42 PRO HA H -0.409 10.745 6.796 1.00 . A A . 42 PRO HA 1 1 9 8370 1 1 42 PRO HB2 H -0.131 13.343 7.391 1.00 . A A . 42 PRO HB2 1 1 9 8371 1 1 42 PRO HB3 H -0.064 12.094 8.641 1.00 . A A . 42 PRO HB3 1 1 9 8372 1 1 42 PRO HD2 H 3.535 11.715 7.259 1.00 . A A . 42 PRO HD2 1 1 9 8373 1 1 42 PRO HD3 H 2.799 11.027 8.719 1.00 . A A . 42 PRO HD3 1 1 9 8374 1 1 42 PRO HG2 H 2.177 13.556 7.300 1.00 . A A . 42 PRO HG2 1 1 9 8375 1 1 42 PRO HG3 H 1.976 13.142 9.012 1.00 . A A . 42 PRO HG3 1 1 9 8376 1 1 42 PRO N N 1.700 10.708 6.938 1.00 . A A . 42 PRO N 1 1 9 8377 1 1 42 PRO O O -0.587 12.711 4.940 1.00 . A A . 42 PRO O 1 1 9 8378 1 1 43 THR C C 0.224 12.066 2.352 1.00 . A A . 43 THR C 1 1 9 8379 1 1 43 THR CA C 1.491 12.393 3.138 1.00 . A A . 43 THR CA 1 1 9 8380 1 1 43 THR CB C 2.717 11.866 2.391 1.00 . A A . 43 THR CB 1 1 9 8381 1 1 43 THR CG2 C 4.026 12.354 2.970 1.00 . A A . 43 THR CG2 1 1 9 8382 1 1 43 THR H H 2.183 11.291 4.810 1.00 . A A . 43 THR H 1 1 9 8383 1 1 43 THR HA H 1.573 13.466 3.232 1.00 . A A . 43 THR HA 1 1 9 8384 1 1 43 THR HB H 2.667 12.197 1.363 1.00 . A A . 43 THR HB 1 1 9 8385 1 1 43 THR HG1 H 2.539 10.129 3.280 1.00 . A A . 43 THR HG1 1 1 9 8386 1 1 43 THR HG21 H 3.880 12.637 4.002 1.00 . A A . 43 THR HG21 1 1 9 8387 1 1 43 THR HG22 H 4.372 13.208 2.408 1.00 . A A . 43 THR HG22 1 1 9 8388 1 1 43 THR HG23 H 4.761 11.565 2.915 1.00 . A A . 43 THR HG23 1 1 9 8389 1 1 43 THR N N 1.433 11.831 4.486 1.00 . A A . 43 THR N 1 1 9 8390 1 1 43 THR O O -0.307 12.911 1.632 1.00 . A A . 43 THR O 1 1 9 8391 1 1 43 THR OG1 O 2.742 10.449 2.399 1.00 . A A . 43 THR OG1 1 1 9 8392 1 1 44 TYR C C -2.639 10.310 2.769 1.00 . A A . 44 TYR C 1 1 9 8393 1 1 44 TYR CA C -1.461 10.398 1.804 1.00 . A A . 44 TYR CA 1 1 9 8394 1 1 44 TYR CB C -1.227 9.041 1.138 1.00 . A A . 44 TYR CB 1 1 9 8395 1 1 44 TYR CD1 C 1.249 8.821 0.693 1.00 . A A . 44 TYR CD1 1 1 9 8396 1 1 44 TYR CD2 C -0.198 9.203 -1.163 1.00 . A A . 44 TYR CD2 1 1 9 8397 1 1 44 TYR CE1 C 2.339 8.803 -0.156 1.00 . A A . 44 TYR CE1 1 1 9 8398 1 1 44 TYR CE2 C 0.887 9.186 -2.018 1.00 . A A . 44 TYR CE2 1 1 9 8399 1 1 44 TYR CG C -0.037 9.021 0.205 1.00 . A A . 44 TYR CG 1 1 9 8400 1 1 44 TYR CZ C 2.153 8.986 -1.509 1.00 . A A . 44 TYR CZ 1 1 9 8401 1 1 44 TYR H H 0.211 10.207 3.088 1.00 . A A . 44 TYR H 1 1 9 8402 1 1 44 TYR HA H -1.689 11.129 1.042 1.00 . A A . 44 TYR HA 1 1 9 8403 1 1 44 TYR HB2 H -1.061 8.297 1.902 1.00 . A A . 44 TYR HB2 1 1 9 8404 1 1 44 TYR HB3 H -2.103 8.773 0.565 1.00 . A A . 44 TYR HB3 1 1 9 8405 1 1 44 TYR HD1 H 1.391 8.678 1.754 1.00 . A A . 44 TYR HD1 1 1 9 8406 1 1 44 TYR HD2 H -1.191 9.360 -1.558 1.00 . A A . 44 TYR HD2 1 1 9 8407 1 1 44 TYR HE1 H 3.331 8.646 0.243 1.00 . A A . 44 TYR HE1 1 1 9 8408 1 1 44 TYR HE2 H 0.741 9.330 -3.078 1.00 . A A . 44 TYR HE2 1 1 9 8409 1 1 44 TYR HH H 3.592 8.078 -2.405 1.00 . A A . 44 TYR HH 1 1 9 8410 1 1 44 TYR N N -0.256 10.836 2.498 1.00 . A A . 44 TYR N 1 1 9 8411 1 1 44 TYR O O -3.634 11.019 2.617 1.00 . A A . 44 TYR O 1 1 9 8412 1 1 44 TYR OH O 3.237 8.969 -2.358 1.00 . A A . 44 TYR OH 1 1 9 8413 1 1 45 GLY C C -4.715 8.413 4.231 1.00 . A A . 45 GLY C 1 1 9 8414 1 1 45 GLY CA C -3.577 9.275 4.742 1.00 . A A . 45 GLY CA 1 1 9 8415 1 1 45 GLY H H -1.701 8.902 3.836 1.00 . A A . 45 GLY H 1 1 9 8416 1 1 45 GLY HA2 H -3.165 8.818 5.630 1.00 . A A . 45 GLY HA2 1 1 9 8417 1 1 45 GLY HA3 H -3.966 10.249 5.000 1.00 . A A . 45 GLY HA3 1 1 9 8418 1 1 45 GLY N N -2.517 9.438 3.764 1.00 . A A . 45 GLY N 1 1 9 8419 1 1 45 GLY O O -5.029 7.377 4.816 1.00 . A A . 45 GLY O 1 1 9 8420 1 1 46 GLN C C -5.965 6.811 1.903 1.00 . A A . 46 GLN C 1 1 9 8421 1 1 46 GLN CA C -6.445 8.109 2.548 1.00 . A A . 46 GLN CA 1 1 9 8422 1 1 46 GLN CB C -7.160 8.974 1.508 1.00 . A A . 46 GLN CB 1 1 9 8423 1 1 46 GLN CD C -9.520 9.698 0.972 1.00 . A A . 46 GLN CD 1 1 9 8424 1 1 46 GLN CG C -8.586 8.531 1.224 1.00 . A A . 46 GLN CG 1 1 9 8425 1 1 46 GLN H H -5.040 9.676 2.718 1.00 . A A . 46 GLN H 1 1 9 8426 1 1 46 GLN HA H -7.136 7.870 3.339 1.00 . A A . 46 GLN HA 1 1 9 8427 1 1 46 GLN HB2 H -7.186 9.994 1.862 1.00 . A A . 46 GLN HB2 1 1 9 8428 1 1 46 GLN HB3 H -6.604 8.937 0.583 1.00 . A A . 46 GLN HB3 1 1 9 8429 1 1 46 GLN HE21 H -10.247 8.795 -0.646 1.00 . A A . 46 GLN HE21 1 1 9 8430 1 1 46 GLN HE22 H -10.926 10.350 -0.277 1.00 . A A . 46 GLN HE22 1 1 9 8431 1 1 46 GLN HG2 H -8.585 7.896 0.351 1.00 . A A . 46 GLN HG2 1 1 9 8432 1 1 46 GLN HG3 H -8.952 7.973 2.074 1.00 . A A . 46 GLN HG3 1 1 9 8433 1 1 46 GLN N N -5.335 8.844 3.138 1.00 . A A . 46 GLN N 1 1 9 8434 1 1 46 GLN NE2 N -10.310 9.605 -0.090 1.00 . A A . 46 GLN NE2 1 1 9 8435 1 1 46 GLN O O -6.751 5.889 1.685 1.00 . A A . 46 GLN O 1 1 9 8436 1 1 46 GLN OE1 O -9.530 10.673 1.724 1.00 . A A . 46 GLN OE1 1 1 9 8437 1 1 47 TYR C C -3.947 4.432 1.979 1.00 . A A . 47 TYR C 1 1 9 8438 1 1 47 TYR CA C -4.098 5.563 0.967 1.00 . A A . 47 TYR CA 1 1 9 8439 1 1 47 TYR CB C -2.742 5.892 0.363 1.00 . A A . 47 TYR CB 1 1 9 8440 1 1 47 TYR CD1 C -1.728 3.776 -0.570 1.00 . A A . 47 TYR CD1 1 1 9 8441 1 1 47 TYR CD2 C -2.582 5.389 -2.102 1.00 . A A . 47 TYR CD2 1 1 9 8442 1 1 47 TYR CE1 C -1.356 2.964 -1.625 1.00 . A A . 47 TYR CE1 1 1 9 8443 1 1 47 TYR CE2 C -2.216 4.583 -3.162 1.00 . A A . 47 TYR CE2 1 1 9 8444 1 1 47 TYR CG C -2.346 5.000 -0.791 1.00 . A A . 47 TYR CG 1 1 9 8445 1 1 47 TYR CZ C -1.603 3.372 -2.919 1.00 . A A . 47 TYR CZ 1 1 9 8446 1 1 47 TYR H H -4.095 7.513 1.785 1.00 . A A . 47 TYR H 1 1 9 8447 1 1 47 TYR HA H -4.754 5.247 0.187 1.00 . A A . 47 TYR HA 1 1 9 8448 1 1 47 TYR HB2 H -2.745 6.914 0.009 1.00 . A A . 47 TYR HB2 1 1 9 8449 1 1 47 TYR HB3 H -2.001 5.779 1.128 1.00 . A A . 47 TYR HB3 1 1 9 8450 1 1 47 TYR HD1 H -1.537 3.459 0.445 1.00 . A A . 47 TYR HD1 1 1 9 8451 1 1 47 TYR HD2 H -3.062 6.339 -2.289 1.00 . A A . 47 TYR HD2 1 1 9 8452 1 1 47 TYR HE1 H -0.877 2.015 -1.434 1.00 . A A . 47 TYR HE1 1 1 9 8453 1 1 47 TYR HE2 H -2.409 4.903 -4.175 1.00 . A A . 47 TYR HE2 1 1 9 8454 1 1 47 TYR HH H -0.353 2.221 -3.818 1.00 . A A . 47 TYR HH 1 1 9 8455 1 1 47 TYR N N -4.673 6.746 1.593 1.00 . A A . 47 TYR N 1 1 9 8456 1 1 47 TYR O O -4.360 3.300 1.729 1.00 . A A . 47 TYR O 1 1 9 8457 1 1 47 TYR OH O -1.235 2.567 -3.973 1.00 . A A . 47 TYR OH 1 1 9 8458 1 1 48 ILE C C -4.450 3.334 4.805 1.00 . A A . 48 ILE C 1 1 9 8459 1 1 48 ILE CA C -3.131 3.766 4.174 1.00 . A A . 48 ILE CA 1 1 9 8460 1 1 48 ILE CB C -2.197 4.314 5.272 1.00 . A A . 48 ILE CB 1 1 9 8461 1 1 48 ILE CD1 C -0.045 3.643 4.089 1.00 . A A . 48 ILE CD1 1 1 9 8462 1 1 48 ILE CG1 C -0.873 4.774 4.659 1.00 . A A . 48 ILE CG1 1 1 9 8463 1 1 48 ILE CG2 C -1.952 3.259 6.343 1.00 . A A . 48 ILE CG2 1 1 9 8464 1 1 48 ILE H H -3.036 5.667 3.258 1.00 . A A . 48 ILE H 1 1 9 8465 1 1 48 ILE HA H -2.660 2.905 3.728 1.00 . A A . 48 ILE HA 1 1 9 8466 1 1 48 ILE HB H -2.682 5.158 5.738 1.00 . A A . 48 ILE HB 1 1 9 8467 1 1 48 ILE HD11 H -0.526 3.255 3.203 1.00 . A A . 48 ILE HD11 1 1 9 8468 1 1 48 ILE HD12 H 0.043 2.856 4.824 1.00 . A A . 48 ILE HD12 1 1 9 8469 1 1 48 ILE HD13 H 0.938 4.009 3.834 1.00 . A A . 48 ILE HD13 1 1 9 8470 1 1 48 ILE HG12 H -1.077 5.470 3.859 1.00 . A A . 48 ILE HG12 1 1 9 8471 1 1 48 ILE HG13 H -0.285 5.268 5.418 1.00 . A A . 48 ILE HG13 1 1 9 8472 1 1 48 ILE HG21 H -1.442 2.413 5.906 1.00 . A A . 48 ILE HG21 1 1 9 8473 1 1 48 ILE HG22 H -2.897 2.937 6.755 1.00 . A A . 48 ILE HG22 1 1 9 8474 1 1 48 ILE HG23 H -1.341 3.680 7.129 1.00 . A A . 48 ILE HG23 1 1 9 8475 1 1 48 ILE N N -3.346 4.750 3.122 1.00 . A A . 48 ILE N 1 1 9 8476 1 1 48 ILE O O -4.747 2.142 4.887 1.00 . A A . 48 ILE O 1 1 9 8477 1 1 49 ARG C C -7.613 3.744 4.843 1.00 . A A . 49 ARG C 1 1 9 8478 1 1 49 ARG CA C -6.526 4.013 5.880 1.00 . A A . 49 ARG CA 1 1 9 8479 1 1 49 ARG CB C -6.949 5.162 6.796 1.00 . A A . 49 ARG CB 1 1 9 8480 1 1 49 ARG CD C -6.348 6.651 8.728 1.00 . A A . 49 ARG CD 1 1 9 8481 1 1 49 ARG CG C -5.826 5.685 7.677 1.00 . A A . 49 ARG CG 1 1 9 8482 1 1 49 ARG CZ C -5.448 7.907 10.648 1.00 . A A . 49 ARG CZ 1 1 9 8483 1 1 49 ARG H H -4.952 5.238 5.164 1.00 . A A . 49 ARG H 1 1 9 8484 1 1 49 ARG HA H -6.399 3.123 6.470 1.00 . A A . 49 ARG HA 1 1 9 8485 1 1 49 ARG HB2 H -7.309 5.978 6.187 1.00 . A A . 49 ARG HB2 1 1 9 8486 1 1 49 ARG HB3 H -7.750 4.821 7.435 1.00 . A A . 49 ARG HB3 1 1 9 8487 1 1 49 ARG HD2 H -6.909 7.430 8.235 1.00 . A A . 49 ARG HD2 1 1 9 8488 1 1 49 ARG HD3 H -6.998 6.112 9.402 1.00 . A A . 49 ARG HD3 1 1 9 8489 1 1 49 ARG HE H -4.357 7.184 9.141 1.00 . A A . 49 ARG HE 1 1 9 8490 1 1 49 ARG HG2 H -5.352 4.851 8.173 1.00 . A A . 49 ARG HG2 1 1 9 8491 1 1 49 ARG HG3 H -5.104 6.196 7.057 1.00 . A A . 49 ARG HG3 1 1 9 8492 1 1 49 ARG HH11 H -7.452 7.636 10.685 1.00 . A A . 49 ARG HH11 1 1 9 8493 1 1 49 ARG HH12 H -6.797 8.516 12.025 1.00 . A A . 49 ARG HH12 1 1 9 8494 1 1 49 ARG HH21 H -3.491 8.342 10.903 1.00 . A A . 49 ARG HH21 1 1 9 8495 1 1 49 ARG HH22 H -4.548 8.918 12.149 1.00 . A A . 49 ARG HH22 1 1 9 8496 1 1 49 ARG N N -5.240 4.305 5.254 1.00 . A A . 49 ARG N 1 1 9 8497 1 1 49 ARG NE N -5.266 7.261 9.498 1.00 . A A . 49 ARG NE 1 1 9 8498 1 1 49 ARG NH1 N -6.666 8.030 11.161 1.00 . A A . 49 ARG NH1 1 1 9 8499 1 1 49 ARG NH2 N -4.410 8.432 11.286 1.00 . A A . 49 ARG NH2 1 1 9 8500 1 1 49 ARG O O -8.790 4.015 5.079 1.00 . A A . 49 ARG O 1 1 9 8501 1 1 50 SER C C -8.856 1.558 2.916 1.00 . A A . 50 SER C 1 1 9 8502 1 1 50 SER CA C -8.149 2.882 2.637 1.00 . A A . 50 SER CA 1 1 9 8503 1 1 50 SER CB C -7.419 2.817 1.306 1.00 . A A . 50 SER CB 1 1 9 8504 1 1 50 SER H H -6.268 2.997 3.580 1.00 . A A . 50 SER H 1 1 9 8505 1 1 50 SER HA H -8.880 3.663 2.589 1.00 . A A . 50 SER HA 1 1 9 8506 1 1 50 SER HB2 H -6.553 3.464 1.337 1.00 . A A . 50 SER HB2 1 1 9 8507 1 1 50 SER HB3 H -7.109 1.806 1.137 1.00 . A A . 50 SER HB3 1 1 9 8508 1 1 50 SER HG H -8.360 4.179 0.259 1.00 . A A . 50 SER HG 1 1 9 8509 1 1 50 SER N N -7.213 3.201 3.703 1.00 . A A . 50 SER N 1 1 9 8510 1 1 50 SER O O -8.277 0.653 3.515 1.00 . A A . 50 SER O 1 1 9 8511 1 1 50 SER OG O -8.257 3.225 0.239 1.00 . A A . 50 SER OG 1 1 9 8512 1 1 51 PRO C C -10.402 -0.956 1.829 1.00 . A A . 51 PRO C 1 1 9 8513 1 1 51 PRO CA C -10.897 0.198 2.695 1.00 . A A . 51 PRO CA 1 1 9 8514 1 1 51 PRO CB C -12.315 0.601 2.287 1.00 . A A . 51 PRO CB 1 1 9 8515 1 1 51 PRO CD C -10.894 2.451 1.759 1.00 . A A . 51 PRO CD 1 1 9 8516 1 1 51 PRO CG C -12.126 1.713 1.313 1.00 . A A . 51 PRO CG 1 1 9 8517 1 1 51 PRO HA H -10.888 -0.102 3.732 1.00 . A A . 51 PRO HA 1 1 9 8518 1 1 51 PRO HB2 H -12.816 -0.242 1.834 1.00 . A A . 51 PRO HB2 1 1 9 8519 1 1 51 PRO HB3 H -12.864 0.929 3.157 1.00 . A A . 51 PRO HB3 1 1 9 8520 1 1 51 PRO HD2 H -10.343 2.816 0.905 1.00 . A A . 51 PRO HD2 1 1 9 8521 1 1 51 PRO HD3 H -11.159 3.267 2.415 1.00 . A A . 51 PRO HD3 1 1 9 8522 1 1 51 PRO HG2 H -11.985 1.310 0.321 1.00 . A A . 51 PRO HG2 1 1 9 8523 1 1 51 PRO HG3 H -12.984 2.369 1.334 1.00 . A A . 51 PRO HG3 1 1 9 8524 1 1 51 PRO N N -10.121 1.424 2.484 1.00 . A A . 51 PRO N 1 1 9 8525 1 1 51 PRO O O -10.306 -2.094 2.288 1.00 . A A . 51 PRO O 1 1 9 8526 1 1 52 HIS C C -8.125 -1.951 -0.156 1.00 . A A . 52 HIS C 1 1 9 8527 1 1 52 HIS CA C -9.610 -1.664 -0.363 1.00 . A A . 52 HIS CA 1 1 9 8528 1 1 52 HIS CB C -9.853 -1.215 -1.808 1.00 . A A . 52 HIS CB 1 1 9 8529 1 1 52 HIS CD2 C -11.262 0.942 -2.120 1.00 . A A . 52 HIS CD2 1 1 9 8530 1 1 52 HIS CE1 C -13.248 0.019 -2.204 1.00 . A A . 52 HIS CE1 1 1 9 8531 1 1 52 HIS CG C -11.094 -0.396 -1.987 1.00 . A A . 52 HIS CG 1 1 9 8532 1 1 52 HIS H H -10.193 0.273 0.267 1.00 . A A . 52 HIS H 1 1 9 8533 1 1 52 HIS HA H -10.165 -2.570 -0.182 1.00 . A A . 52 HIS HA 1 1 9 8534 1 1 52 HIS HB2 H -9.014 -0.621 -2.138 1.00 . A A . 52 HIS HB2 1 1 9 8535 1 1 52 HIS HB3 H -9.937 -2.089 -2.438 1.00 . A A . 52 HIS HB3 1 1 9 8536 1 1 52 HIS HD1 H -12.571 -1.899 -1.976 1.00 . A A . 52 HIS HD1 1 1 9 8537 1 1 52 HIS HD2 H -10.480 1.689 -2.122 1.00 . A A . 52 HIS HD2 1 1 9 8538 1 1 52 HIS HE1 H -14.317 -0.115 -2.279 1.00 . A A . 52 HIS HE1 1 1 9 8539 1 1 52 HIS HE2 H -13.022 2.040 -2.440 1.00 . A A . 52 HIS HE2 1 1 9 8540 1 1 52 HIS N N -10.092 -0.653 0.573 1.00 . A A . 52 HIS N 1 1 9 8541 1 1 52 HIS ND1 N -12.358 -0.945 -2.043 1.00 . A A . 52 HIS ND1 1 1 9 8542 1 1 52 HIS NE2 N -12.609 1.172 -2.253 1.00 . A A . 52 HIS NE2 1 1 9 8543 1 1 52 HIS O O -7.618 -2.984 -0.593 1.00 . A A . 52 HIS O 1 1 9 8544 1 1 53 ALA C C -5.724 -2.450 1.554 1.00 . A A . 53 ALA C 1 1 9 8545 1 1 53 ALA CA C -6.007 -1.188 0.759 1.00 . A A . 53 ALA CA 1 1 9 8546 1 1 53 ALA CB C -5.461 0.030 1.488 1.00 . A A . 53 ALA CB 1 1 9 8547 1 1 53 ALA H H -7.881 -0.230 0.825 1.00 . A A . 53 ALA H 1 1 9 8548 1 1 53 ALA HA H -5.516 -1.258 -0.187 1.00 . A A . 53 ALA HA 1 1 9 8549 1 1 53 ALA HB1 H -4.488 -0.201 1.895 1.00 . A A . 53 ALA HB1 1 1 9 8550 1 1 53 ALA HB2 H -6.132 0.300 2.291 1.00 . A A . 53 ALA HB2 1 1 9 8551 1 1 53 ALA HB3 H -5.376 0.855 0.797 1.00 . A A . 53 ALA HB3 1 1 9 8552 1 1 53 ALA N N -7.430 -1.032 0.505 1.00 . A A . 53 ALA N 1 1 9 8553 1 1 53 ALA O O -4.938 -3.302 1.140 1.00 . A A . 53 ALA O 1 1 9 8554 1 1 54 ARG C C -6.535 -4.998 2.854 1.00 . A A . 54 ARG C 1 1 9 8555 1 1 54 ARG CA C -6.199 -3.702 3.577 1.00 . A A . 54 ARG CA 1 1 9 8556 1 1 54 ARG CB C -7.070 -3.554 4.825 1.00 . A A . 54 ARG CB 1 1 9 8557 1 1 54 ARG CD C -7.014 -3.070 7.289 1.00 . A A . 54 ARG CD 1 1 9 8558 1 1 54 ARG CG C -6.308 -3.747 6.126 1.00 . A A . 54 ARG CG 1 1 9 8559 1 1 54 ARG CZ C -9.063 -4.350 7.783 1.00 . A A . 54 ARG CZ 1 1 9 8560 1 1 54 ARG H H -6.972 -1.837 2.965 1.00 . A A . 54 ARG H 1 1 9 8561 1 1 54 ARG HA H -5.169 -3.730 3.871 1.00 . A A . 54 ARG HA 1 1 9 8562 1 1 54 ARG HB2 H -7.505 -2.565 4.831 1.00 . A A . 54 ARG HB2 1 1 9 8563 1 1 54 ARG HB3 H -7.864 -4.286 4.787 1.00 . A A . 54 ARG HB3 1 1 9 8564 1 1 54 ARG HD2 H -6.621 -3.465 8.213 1.00 . A A . 54 ARG HD2 1 1 9 8565 1 1 54 ARG HD3 H -6.819 -2.008 7.242 1.00 . A A . 54 ARG HD3 1 1 9 8566 1 1 54 ARG HE H -9.006 -2.607 6.810 1.00 . A A . 54 ARG HE 1 1 9 8567 1 1 54 ARG HG2 H -6.228 -4.804 6.332 1.00 . A A . 54 ARG HG2 1 1 9 8568 1 1 54 ARG HG3 H -5.320 -3.323 6.019 1.00 . A A . 54 ARG HG3 1 1 9 8569 1 1 54 ARG HH11 H -7.360 -5.222 8.441 1.00 . A A . 54 ARG HH11 1 1 9 8570 1 1 54 ARG HH12 H -8.818 -6.092 8.779 1.00 . A A . 54 ARG HH12 1 1 9 8571 1 1 54 ARG HH21 H -10.921 -3.755 7.254 1.00 . A A . 54 ARG HH21 1 1 9 8572 1 1 54 ARG HH22 H -10.838 -5.262 8.105 1.00 . A A . 54 ARG HH22 1 1 9 8573 1 1 54 ARG N N -6.369 -2.554 2.701 1.00 . A A . 54 ARG N 1 1 9 8574 1 1 54 ARG NE N -8.458 -3.288 7.253 1.00 . A A . 54 ARG NE 1 1 9 8575 1 1 54 ARG NH1 N -8.355 -5.299 8.384 1.00 . A A . 54 ARG NH1 1 1 9 8576 1 1 54 ARG NH2 N -10.382 -4.465 7.708 1.00 . A A . 54 ARG NH2 1 1 9 8577 1 1 54 ARG O O -5.928 -6.039 3.105 1.00 . A A . 54 ARG O 1 1 9 8578 1 1 55 ASP C C -6.820 -6.543 0.253 1.00 . A A . 55 ASP C 1 1 9 8579 1 1 55 ASP CA C -7.924 -6.087 1.190 1.00 . A A . 55 ASP CA 1 1 9 8580 1 1 55 ASP CB C -9.187 -5.782 0.401 1.00 . A A . 55 ASP CB 1 1 9 8581 1 1 55 ASP CG C -9.996 -7.028 0.098 1.00 . A A . 55 ASP CG 1 1 9 8582 1 1 55 ASP H H -7.942 -4.064 1.803 1.00 . A A . 55 ASP H 1 1 9 8583 1 1 55 ASP HA H -8.129 -6.872 1.875 1.00 . A A . 55 ASP HA 1 1 9 8584 1 1 55 ASP HB2 H -9.806 -5.098 0.966 1.00 . A A . 55 ASP HB2 1 1 9 8585 1 1 55 ASP HB3 H -8.905 -5.327 -0.528 1.00 . A A . 55 ASP HB3 1 1 9 8586 1 1 55 ASP N N -7.503 -4.923 1.955 1.00 . A A . 55 ASP N 1 1 9 8587 1 1 55 ASP O O -6.465 -7.721 0.214 1.00 . A A . 55 ASP O 1 1 9 8588 1 1 55 ASP OD1 O -9.386 -8.102 -0.086 1.00 . A A . 55 ASP OD1 1 1 9 8589 1 1 55 ASP OD2 O -11.240 -6.930 0.045 1.00 . A A . 55 ASP OD2 1 1 9 8590 1 1 56 THR C C -4.003 -6.468 -0.696 1.00 . A A . 56 THR C 1 1 9 8591 1 1 56 THR CA C -5.204 -5.882 -1.425 1.00 . A A . 56 THR CA 1 1 9 8592 1 1 56 THR CB C -4.802 -4.618 -2.167 1.00 . A A . 56 THR CB 1 1 9 8593 1 1 56 THR CG2 C -4.168 -4.887 -3.515 1.00 . A A . 56 THR CG2 1 1 9 8594 1 1 56 THR H H -6.601 -4.685 -0.405 1.00 . A A . 56 THR H 1 1 9 8595 1 1 56 THR HA H -5.565 -6.594 -2.131 1.00 . A A . 56 THR HA 1 1 9 8596 1 1 56 THR HB H -4.090 -4.091 -1.567 1.00 . A A . 56 THR HB 1 1 9 8597 1 1 56 THR HG1 H -5.623 -2.910 -2.662 1.00 . A A . 56 THR HG1 1 1 9 8598 1 1 56 THR HG21 H -3.911 -5.934 -3.589 1.00 . A A . 56 THR HG21 1 1 9 8599 1 1 56 THR HG22 H -3.274 -4.289 -3.618 1.00 . A A . 56 THR HG22 1 1 9 8600 1 1 56 THR HG23 H -4.865 -4.631 -4.298 1.00 . A A . 56 THR HG23 1 1 9 8601 1 1 56 THR N N -6.276 -5.597 -0.491 1.00 . A A . 56 THR N 1 1 9 8602 1 1 56 THR O O -3.447 -7.486 -1.109 1.00 . A A . 56 THR O 1 1 9 8603 1 1 56 THR OG1 O -5.922 -3.776 -2.375 1.00 . A A . 56 THR OG1 1 1 9 8604 1 1 57 LEU C C -2.762 -7.647 1.777 1.00 . A A . 57 LEU C 1 1 9 8605 1 1 57 LEU CA C -2.485 -6.274 1.189 1.00 . A A . 57 LEU CA 1 1 9 8606 1 1 57 LEU CB C -2.181 -5.273 2.299 1.00 . A A . 57 LEU CB 1 1 9 8607 1 1 57 LEU CD1 C -1.374 -2.921 1.971 1.00 . A A . 57 LEU CD1 1 1 9 8608 1 1 57 LEU CD2 C 0.085 -4.590 3.132 1.00 . A A . 57 LEU CD2 1 1 9 8609 1 1 57 LEU CG C -0.965 -4.384 2.049 1.00 . A A . 57 LEU CG 1 1 9 8610 1 1 57 LEU H H -4.092 -5.019 0.675 1.00 . A A . 57 LEU H 1 1 9 8611 1 1 57 LEU HA H -1.644 -6.338 0.542 1.00 . A A . 57 LEU HA 1 1 9 8612 1 1 57 LEU HB2 H -3.044 -4.641 2.416 1.00 . A A . 57 LEU HB2 1 1 9 8613 1 1 57 LEU HB3 H -2.019 -5.819 3.218 1.00 . A A . 57 LEU HB3 1 1 9 8614 1 1 57 LEU HD11 H -1.618 -2.669 0.950 1.00 . A A . 57 LEU HD11 1 1 9 8615 1 1 57 LEU HD12 H -0.558 -2.300 2.310 1.00 . A A . 57 LEU HD12 1 1 9 8616 1 1 57 LEU HD13 H -2.237 -2.755 2.599 1.00 . A A . 57 LEU HD13 1 1 9 8617 1 1 57 LEU HD21 H 0.772 -5.364 2.824 1.00 . A A . 57 LEU HD21 1 1 9 8618 1 1 57 LEU HD22 H -0.400 -4.883 4.051 1.00 . A A . 57 LEU HD22 1 1 9 8619 1 1 57 LEU HD23 H 0.626 -3.669 3.287 1.00 . A A . 57 LEU HD23 1 1 9 8620 1 1 57 LEU HG H -0.528 -4.656 1.104 1.00 . A A . 57 LEU HG 1 1 9 8621 1 1 57 LEU N N -3.611 -5.820 0.396 1.00 . A A . 57 LEU N 1 1 9 8622 1 1 57 LEU O O -1.934 -8.554 1.695 1.00 . A A . 57 LEU O 1 1 9 8623 1 1 58 THR C C -4.408 -10.143 1.930 1.00 . A A . 58 THR C 1 1 9 8624 1 1 58 THR CA C -4.342 -9.041 2.976 1.00 . A A . 58 THR CA 1 1 9 8625 1 1 58 THR CB C -5.695 -8.890 3.675 1.00 . A A . 58 THR CB 1 1 9 8626 1 1 58 THR CG2 C -6.191 -10.173 4.308 1.00 . A A . 58 THR CG2 1 1 9 8627 1 1 58 THR H H -4.542 -7.025 2.397 1.00 . A A . 58 THR H 1 1 9 8628 1 1 58 THR HA H -3.594 -9.301 3.703 1.00 . A A . 58 THR HA 1 1 9 8629 1 1 58 THR HB H -6.430 -8.573 2.950 1.00 . A A . 58 THR HB 1 1 9 8630 1 1 58 THR HG1 H -5.168 -7.133 4.362 1.00 . A A . 58 THR HG1 1 1 9 8631 1 1 58 THR HG21 H -7.196 -10.377 3.969 1.00 . A A . 58 THR HG21 1 1 9 8632 1 1 58 THR HG22 H -6.189 -10.068 5.383 1.00 . A A . 58 THR HG22 1 1 9 8633 1 1 58 THR HG23 H -5.543 -10.989 4.024 1.00 . A A . 58 THR HG23 1 1 9 8634 1 1 58 THR N N -3.936 -7.786 2.369 1.00 . A A . 58 THR N 1 1 9 8635 1 1 58 THR O O -3.952 -11.262 2.166 1.00 . A A . 58 THR O 1 1 9 8636 1 1 58 THR OG1 O -5.625 -7.909 4.695 1.00 . A A . 58 THR OG1 1 1 9 8637 1 1 59 SER C C -3.702 -11.412 -0.567 1.00 . A A . 59 SER C 1 1 9 8638 1 1 59 SER CA C -5.061 -10.785 -0.315 1.00 . A A . 59 SER CA 1 1 9 8639 1 1 59 SER CB C -5.572 -10.108 -1.574 1.00 . A A . 59 SER CB 1 1 9 8640 1 1 59 SER H H -5.296 -8.914 0.621 1.00 . A A . 59 SER H 1 1 9 8641 1 1 59 SER HA H -5.747 -11.542 -0.023 1.00 . A A . 59 SER HA 1 1 9 8642 1 1 59 SER HB2 H -6.291 -9.348 -1.306 1.00 . A A . 59 SER HB2 1 1 9 8643 1 1 59 SER HB3 H -4.742 -9.658 -2.078 1.00 . A A . 59 SER HB3 1 1 9 8644 1 1 59 SER HG H -5.886 -10.891 -3.342 1.00 . A A . 59 SER HG 1 1 9 8645 1 1 59 SER N N -4.962 -9.821 0.764 1.00 . A A . 59 SER N 1 1 9 8646 1 1 59 SER O O -3.586 -12.606 -0.840 1.00 . A A . 59 SER O 1 1 9 8647 1 1 59 SER OG O -6.190 -11.040 -2.444 1.00 . A A . 59 SER OG 1 1 9 8648 1 1 60 CYS C C -0.797 -11.696 0.635 1.00 . A A . 60 CYS C 1 1 9 8649 1 1 60 CYS CA C -1.308 -11.015 -0.631 1.00 . A A . 60 CYS CA 1 1 9 8650 1 1 60 CYS CB C -0.437 -9.811 -0.974 1.00 . A A . 60 CYS CB 1 1 9 8651 1 1 60 CYS H H -2.848 -9.650 -0.212 1.00 . A A . 60 CYS H 1 1 9 8652 1 1 60 CYS HA H -1.281 -11.719 -1.449 1.00 . A A . 60 CYS HA 1 1 9 8653 1 1 60 CYS HB2 H -1.066 -9.023 -1.364 1.00 . A A . 60 CYS HB2 1 1 9 8654 1 1 60 CYS HB3 H 0.045 -9.463 -0.074 1.00 . A A . 60 CYS HB3 1 1 9 8655 1 1 60 CYS N N -2.677 -10.583 -0.448 1.00 . A A . 60 CYS N 1 1 9 8656 1 1 60 CYS O O -0.080 -12.694 0.571 1.00 . A A . 60 CYS O 1 1 9 8657 1 1 60 CYS SG S 0.852 -10.150 -2.215 1.00 . A A . 60 CYS SG 1 1 9 8658 1 1 61 GLY C C 0.753 -11.739 3.203 1.00 . A A . 61 GLY C 1 1 9 8659 1 1 61 GLY CA C -0.754 -11.711 3.056 1.00 . A A . 61 GLY CA 1 1 9 8660 1 1 61 GLY H H -1.752 -10.349 1.782 1.00 . A A . 61 GLY H 1 1 9 8661 1 1 61 GLY HA2 H -1.172 -11.121 3.858 1.00 . A A . 61 GLY HA2 1 1 9 8662 1 1 61 GLY HA3 H -1.130 -12.720 3.131 1.00 . A A . 61 GLY HA3 1 1 9 8663 1 1 61 GLY N N -1.177 -11.146 1.790 1.00 . A A . 61 GLY N 1 1 9 8664 1 1 61 GLY O O 1.329 -12.771 3.545 1.00 . A A . 61 GLY O 1 1 9 8665 1 1 62 LEU C C 3.271 -9.554 4.161 1.00 . A A . 62 LEU C 1 1 9 8666 1 1 62 LEU CA C 2.847 -10.516 3.054 1.00 . A A . 62 LEU CA 1 1 9 8667 1 1 62 LEU CB C 3.471 -10.088 1.720 1.00 . A A . 62 LEU CB 1 1 9 8668 1 1 62 LEU CD1 C 3.030 -7.615 1.622 1.00 . A A . 62 LEU CD1 1 1 9 8669 1 1 62 LEU CD2 C 3.171 -8.947 -0.487 1.00 . A A . 62 LEU CD2 1 1 9 8670 1 1 62 LEU CG C 2.748 -8.964 0.974 1.00 . A A . 62 LEU CG 1 1 9 8671 1 1 62 LEU H H 0.881 -9.813 2.675 1.00 . A A . 62 LEU H 1 1 9 8672 1 1 62 LEU HA H 3.212 -11.500 3.301 1.00 . A A . 62 LEU HA 1 1 9 8673 1 1 62 LEU HB2 H 4.485 -9.768 1.911 1.00 . A A . 62 LEU HB2 1 1 9 8674 1 1 62 LEU HB3 H 3.502 -10.953 1.075 1.00 . A A . 62 LEU HB3 1 1 9 8675 1 1 62 LEU HD11 H 2.115 -7.214 2.032 1.00 . A A . 62 LEU HD11 1 1 9 8676 1 1 62 LEU HD12 H 3.420 -6.932 0.882 1.00 . A A . 62 LEU HD12 1 1 9 8677 1 1 62 LEU HD13 H 3.755 -7.738 2.412 1.00 . A A . 62 LEU HD13 1 1 9 8678 1 1 62 LEU HD21 H 2.488 -8.332 -1.053 1.00 . A A . 62 LEU HD21 1 1 9 8679 1 1 62 LEU HD22 H 3.156 -9.954 -0.877 1.00 . A A . 62 LEU HD22 1 1 9 8680 1 1 62 LEU HD23 H 4.170 -8.545 -0.569 1.00 . A A . 62 LEU HD23 1 1 9 8681 1 1 62 LEU HG H 1.682 -9.140 1.012 1.00 . A A . 62 LEU HG 1 1 9 8682 1 1 62 LEU N N 1.395 -10.604 2.945 1.00 . A A . 62 LEU N 1 1 9 8683 1 1 62 LEU O O 4.214 -9.829 4.902 1.00 . A A . 62 LEU O 1 1 9 8684 1 1 63 ALA C C 1.664 -6.648 5.707 1.00 . A A . 63 ALA C 1 1 9 8685 1 1 63 ALA CA C 2.897 -7.437 5.283 1.00 . A A . 63 ALA CA 1 1 9 8686 1 1 63 ALA CB C 3.982 -6.497 4.780 1.00 . A A . 63 ALA CB 1 1 9 8687 1 1 63 ALA H H 1.839 -8.257 3.657 1.00 . A A . 63 ALA H 1 1 9 8688 1 1 63 ALA HA H 3.282 -7.964 6.137 1.00 . A A . 63 ALA HA 1 1 9 8689 1 1 63 ALA HB1 H 4.697 -7.054 4.193 1.00 . A A . 63 ALA HB1 1 1 9 8690 1 1 63 ALA HB2 H 4.482 -6.042 5.622 1.00 . A A . 63 ALA HB2 1 1 9 8691 1 1 63 ALA HB3 H 3.535 -5.727 4.167 1.00 . A A . 63 ALA HB3 1 1 9 8692 1 1 63 ALA N N 2.577 -8.426 4.269 1.00 . A A . 63 ALA N 1 1 9 8693 1 1 63 ALA O O 0.581 -6.812 5.144 1.00 . A A . 63 ALA O 1 1 9 8694 1 1 64 VAL C C 1.285 -3.608 7.682 1.00 . A A . 64 VAL C 1 1 9 8695 1 1 64 VAL CA C 0.760 -4.970 7.215 1.00 . A A . 64 VAL CA 1 1 9 8696 1 1 64 VAL CB C 0.024 -5.697 8.368 1.00 . A A . 64 VAL CB 1 1 9 8697 1 1 64 VAL CG1 C 0.332 -5.072 9.724 1.00 . A A . 64 VAL CG1 1 1 9 8698 1 1 64 VAL CG2 C -1.476 -5.724 8.115 1.00 . A A . 64 VAL CG2 1 1 9 8699 1 1 64 VAL H H 2.720 -5.708 7.110 1.00 . A A . 64 VAL H 1 1 9 8700 1 1 64 VAL HA H 0.063 -4.816 6.410 1.00 . A A . 64 VAL HA 1 1 9 8701 1 1 64 VAL HB H 0.378 -6.717 8.388 1.00 . A A . 64 VAL HB 1 1 9 8702 1 1 64 VAL HG11 H 1.400 -4.955 9.832 1.00 . A A . 64 VAL HG11 1 1 9 8703 1 1 64 VAL HG12 H -0.042 -5.712 10.509 1.00 . A A . 64 VAL HG12 1 1 9 8704 1 1 64 VAL HG13 H -0.145 -4.105 9.791 1.00 . A A . 64 VAL HG13 1 1 9 8705 1 1 64 VAL HG21 H -1.883 -6.661 8.464 1.00 . A A . 64 VAL HG21 1 1 9 8706 1 1 64 VAL HG22 H -1.664 -5.622 7.056 1.00 . A A . 64 VAL HG22 1 1 9 8707 1 1 64 VAL HG23 H -1.945 -4.908 8.644 1.00 . A A . 64 VAL HG23 1 1 9 8708 1 1 64 VAL N N 1.841 -5.790 6.706 1.00 . A A . 64 VAL N 1 1 9 8709 1 1 64 VAL O O 2.420 -3.501 8.146 1.00 . A A . 64 VAL O 1 1 9 8710 1 1 65 PRO C C 0.827 -0.969 9.472 1.00 . A A . 65 PRO C 1 1 9 8711 1 1 65 PRO CA C 0.851 -1.180 7.964 1.00 . A A . 65 PRO CA 1 1 9 8712 1 1 65 PRO CB C -0.229 -0.331 7.307 1.00 . A A . 65 PRO CB 1 1 9 8713 1 1 65 PRO CD C -0.899 -2.575 7.006 1.00 . A A . 65 PRO CD 1 1 9 8714 1 1 65 PRO CG C -1.418 -1.217 7.374 1.00 . A A . 65 PRO CG 1 1 9 8715 1 1 65 PRO HA H 1.818 -0.913 7.582 1.00 . A A . 65 PRO HA 1 1 9 8716 1 1 65 PRO HB2 H -0.372 0.582 7.867 1.00 . A A . 65 PRO HB2 1 1 9 8717 1 1 65 PRO HB3 H 0.044 -0.107 6.288 1.00 . A A . 65 PRO HB3 1 1 9 8718 1 1 65 PRO HD2 H -1.494 -3.348 7.468 1.00 . A A . 65 PRO HD2 1 1 9 8719 1 1 65 PRO HD3 H -0.877 -2.696 5.932 1.00 . A A . 65 PRO HD3 1 1 9 8720 1 1 65 PRO HG2 H -1.807 -1.228 8.383 1.00 . A A . 65 PRO HG2 1 1 9 8721 1 1 65 PRO HG3 H -2.171 -0.893 6.673 1.00 . A A . 65 PRO HG3 1 1 9 8722 1 1 65 PRO N N 0.467 -2.546 7.560 1.00 . A A . 65 PRO N 1 1 9 8723 1 1 65 PRO O O 0.528 0.122 9.956 1.00 . A A . 65 PRO O 1 1 9 8724 1 1 66 HIS C C 2.505 -2.500 12.184 1.00 . A A . 66 HIS C 1 1 9 8725 1 1 66 HIS CA C 1.178 -1.968 11.655 1.00 . A A . 66 HIS CA 1 1 9 8726 1 1 66 HIS CB C 0.018 -2.777 12.240 1.00 . A A . 66 HIS CB 1 1 9 8727 1 1 66 HIS CD2 C -2.160 -3.072 10.868 1.00 . A A . 66 HIS CD2 1 1 9 8728 1 1 66 HIS CE1 C -3.087 -1.148 11.340 1.00 . A A . 66 HIS CE1 1 1 9 8729 1 1 66 HIS CG C -1.314 -2.400 11.683 1.00 . A A . 66 HIS CG 1 1 9 8730 1 1 66 HIS H H 1.376 -2.842 9.743 1.00 . A A . 66 HIS H 1 1 9 8731 1 1 66 HIS HA H 1.072 -0.935 11.955 1.00 . A A . 66 HIS HA 1 1 9 8732 1 1 66 HIS HB2 H 0.177 -3.824 12.036 1.00 . A A . 66 HIS HB2 1 1 9 8733 1 1 66 HIS HB3 H -0.016 -2.623 13.308 1.00 . A A . 66 HIS HB3 1 1 9 8734 1 1 66 HIS HD1 H -1.561 -0.487 12.526 1.00 . A A . 66 HIS HD1 1 1 9 8735 1 1 66 HIS HD2 H -2.004 -4.056 10.453 1.00 . A A . 66 HIS HD2 1 1 9 8736 1 1 66 HIS HE1 H -3.781 -0.330 11.377 1.00 . A A . 66 HIS HE1 1 1 9 8737 1 1 66 HIS HE2 H -3.986 -2.451 10.043 1.00 . A A . 66 HIS HE2 1 1 9 8738 1 1 66 HIS N N 1.148 -2.016 10.199 1.00 . A A . 66 HIS N 1 1 9 8739 1 1 66 HIS ND1 N -1.925 -1.198 11.959 1.00 . A A . 66 HIS ND1 1 1 9 8740 1 1 66 HIS NE2 N -3.254 -2.271 10.669 1.00 . A A . 66 HIS NE2 1 1 9 8741 1 1 66 HIS O O 2.572 -3.052 13.282 1.00 . A A . 66 HIS O 1 1 9 8742 1 1 67 CYS C C 5.594 -1.763 12.650 1.00 . A A . 67 CYS C 1 1 9 8743 1 1 67 CYS CA C 4.889 -2.794 11.774 1.00 . A A . 67 CYS CA 1 1 9 8744 1 1 67 CYS CB C 5.728 -3.081 10.528 1.00 . A A . 67 CYS CB 1 1 9 8745 1 1 67 CYS H H 3.442 -1.884 10.528 1.00 . A A . 67 CYS H 1 1 9 8746 1 1 67 CYS HA H 4.772 -3.708 12.337 1.00 . A A . 67 CYS HA 1 1 9 8747 1 1 67 CYS HB2 H 6.711 -3.407 10.832 1.00 . A A . 67 CYS HB2 1 1 9 8748 1 1 67 CYS HB3 H 5.255 -3.868 9.958 1.00 . A A . 67 CYS HB3 1 1 9 8749 1 1 67 CYS N N 3.560 -2.331 11.392 1.00 . A A . 67 CYS N 1 1 9 8750 1 1 67 CYS O O 5.550 -0.564 12.303 1.00 . A A . 67 CYS O 1 1 9 8751 1 1 67 CYS OXT O 6.183 -2.163 13.676 1.00 . A A . 67 CYS OXT 1 1 9 8752 1 1 67 CYS SG S 5.938 -1.646 9.425 1.00 . A A . 67 CYS SG 1 1 9 8753 2 2 1 PGM C1 C -11.764 4.765 9.909 1.00 . B A . 68 PGM C1 1 1 9 8754 2 2 1 PGM C2 C -10.997 3.519 9.980 1.00 . B A . 68 PGM C2 1 1 9 8755 2 2 1 PGM C3 C -9.974 3.566 11.028 1.00 . B A . 68 PGM C3 1 1 9 8756 2 2 1 PGM C7 C -6.179 0.656 9.146 1.00 . B A . 68 PGM C7 1 1 9 8757 2 2 1 PGM C8 C -4.721 0.682 9.006 1.00 . B A . 68 PGM C8 1 1 9 8758 2 2 1 PGM C9 C -4.312 0.705 7.624 1.00 . B A . 68 PGM C9 1 1 9 8759 2 2 1 PGM CA C -4.876 -0.687 5.853 1.00 . B A . 68 PGM CA 1 1 9 8760 2 2 1 PGM CB C -4.017 -1.162 4.762 1.00 . B A . 68 PGM CB 1 1 9 8761 2 2 1 PGM CC C -3.083 -0.143 4.165 1.00 . B A . 68 PGM CC 1 1 9 8762 2 2 1 PGM CD C -1.646 -0.577 4.082 1.00 . B A . 68 PGM CD 1 1 9 8763 2 2 1 PGM CE C -0.692 0.528 3.742 1.00 . B A . 68 PGM CE 1 1 9 8764 2 2 1 PGM CF C -0.420 0.679 2.276 1.00 . B A . 68 PGM CF 1 1 9 8765 2 2 1 PGM CG C 1.016 0.947 1.932 1.00 . B A . 68 PGM CG 1 1 9 8766 2 2 1 PGM CH C 1.358 0.817 0.486 1.00 . B A . 68 PGM CH 1 1 9 8767 2 2 1 PGM CI C 2.327 1.828 -0.030 1.00 . B A . 68 PGM CI 1 1 9 8768 2 2 1 PGM CJ C 1.761 2.783 -1.027 1.00 . B A . 68 PGM CJ 1 1 9 8769 2 2 1 PGM CK C 1.888 4.230 -0.675 1.00 . B A . 68 PGM CK 1 1 9 8770 2 2 1 PGM CL C 0.996 5.154 -1.446 1.00 . B A . 68 PGM CL 1 1 9 8771 2 2 1 PGM CM C 1.569 5.673 -2.727 1.00 . B A . 68 PGM CM 1 1 9 8772 2 2 1 PGM CN C 0.594 6.363 -3.626 1.00 . B A . 68 PGM CN 1 1 9 8773 2 2 1 PGM CO C 1.024 6.492 -5.052 1.00 . B A . 68 PGM CO 1 1 9 8774 2 2 1 PGM CP C 0.062 7.243 -5.924 1.00 . B A . 68 PGM CP 1 1 9 8775 2 2 1 PGM O1 O -11.711 5.264 8.595 1.00 . B A . 68 PGM O1 1 1 9 8776 2 2 1 PGM O2 O -11.874 2.453 10.241 1.00 . B A . 68 PGM O2 1 1 9 8777 2 2 1 PGM O4 O -8.690 3.383 10.417 1.00 . B A . 68 PGM O4 1 1 9 8778 2 2 1 PGM O5A O -7.263 2.010 11.969 1.00 . B A . 68 PGM O5A 1 1 9 8779 2 2 1 PGM O5B O -8.871 0.889 10.361 1.00 . B A . 68 PGM O5B 1 1 9 8780 2 2 1 PGM O6 O -6.786 1.961 9.523 1.00 . B A . 68 PGM O6 1 1 9 8781 2 2 1 PGM O8 O -4.027 1.684 9.707 1.00 . B A . 68 PGM O8 1 1 9 8782 2 2 1 PGM OQ1 O -6.080 -0.402 5.526 1.00 . B A . 68 PGM OQ1 1 1 9 8783 2 2 1 PGM OQ2 O -4.510 -0.633 6.987 1.00 . B A . 68 PGM OQ2 1 1 9 8784 2 2 1 PGM P5 P -7.927 1.991 10.645 1.00 . B A . 68 PGM P5 1 1 stop_ save_
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