NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
445604 | 2kkd | 16849 | cing | 4-filtered-FRED | STAR | entry | full | 477 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2kkd # This FRED archive file contains, for PDB entry <2kkd>: # # - 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_2kkd _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2kkd _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all free" _Assembly.Molecular_mass 5610.79 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 $Rubredoxin A . 1 1 2 . 2 $NICKEL__II__ION 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 NI 1 NI 1 1 stop_ save_ save_Rubredoxin _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name Rubredoxin _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code MKKYVCTVCGYEYDPAEGDPDNGVKPGTSFDDLPADWVCPVCGAPKSEFEAA _Entity.Number_of_monomers 52 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 MET . 1 1 2 LYS . 1 1 3 LYS . 1 1 4 TYR . 1 1 5 VAL . 1 1 6 CYS . 1 1 7 THR . 1 1 8 VAL . 1 1 9 CYS . 1 1 10 GLY . 1 1 11 TYR . 1 1 12 GLU . 1 1 13 TYR . 1 1 14 ASP . 1 1 15 PRO . 1 1 16 ALA . 1 1 17 GLU . 1 1 18 GLY . 1 1 19 ASP . 1 1 20 PRO . 1 1 21 ASP . 1 1 22 ASN . 1 1 23 GLY . 1 1 24 VAL . 1 1 25 LYS . 1 1 26 PRO . 1 1 27 GLY . 1 1 28 THR . 1 1 29 SER . 1 1 30 PHE . 1 1 31 ASP . 1 1 32 ASP . 1 1 33 LEU . 1 1 34 PRO . 1 1 35 ALA . 1 1 36 ASP . 1 1 37 TRP . 1 1 38 VAL . 1 1 39 CYS . 1 1 40 PRO . 1 1 41 VAL . 1 1 42 CYS . 1 1 43 GLY . 1 1 44 ALA . 1 1 45 PRO . 1 1 46 LYS . 1 1 47 SER . 1 1 48 GLU . 1 1 49 PHE . 1 1 50 GLU . 1 1 51 ALA . 1 1 52 ALA . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID MET 1 1 1 1 LYS 2 2 1 1 LYS 3 3 1 1 TYR 4 4 1 1 VAL 5 5 1 1 CYS 6 6 1 1 THR 7 7 1 1 VAL 8 8 1 1 CYS 9 9 1 1 GLY 10 10 1 1 TYR 11 11 1 1 GLU 12 12 1 1 TYR 13 13 1 1 ASP 14 14 1 1 PRO 15 15 1 1 ALA 16 16 1 1 GLU 17 17 1 1 GLY 18 18 1 1 ASP 19 19 1 1 PRO 20 20 1 1 ASP 21 21 1 1 ASN 22 22 1 1 GLY 23 23 1 1 VAL 24 24 1 1 LYS 25 25 1 1 PRO 26 26 1 1 GLY 27 27 1 1 THR 28 28 1 1 SER 29 29 1 1 PHE 30 30 1 1 ASP 31 31 1 1 ASP 32 32 1 1 LEU 33 33 1 1 PRO 34 34 1 1 ALA 35 35 1 1 ASP 36 36 1 1 TRP 37 37 1 1 VAL 38 38 1 1 CYS 39 39 1 1 PRO 40 40 1 1 VAL 41 41 1 1 CYS 42 42 1 1 GLY 43 43 1 1 ALA 44 44 1 1 PRO 45 45 1 1 LYS 46 46 1 1 SER 47 47 1 1 GLU 48 48 1 1 PHE 49 49 1 1 GLU 50 50 1 1 ALA 51 51 1 1 ALA 52 52 1 1 stop_ save_ save_NICKEL__II__ION _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "NICKEL II ION" _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 NI $NI 1 2 stop_ save_ save_NI _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NI _Chem_comp.Type non-polymer save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 332 1 . . . 1 1 333 1 . . . 1 1 334 1 . . . 1 1 335 1 . . . 1 1 336 1 . . . 1 1 337 1 . . . 1 1 338 1 . . . 1 1 339 1 . . . 1 1 340 1 . . . 1 1 341 1 . . . 1 1 342 1 . . . 1 1 343 1 . . . 1 1 344 1 . . . 1 1 345 1 . . . 1 1 346 1 . . . 1 1 347 1 . . . 1 1 348 1 . . . 1 1 349 1 . . . 1 1 350 1 . . . 1 1 351 1 . . . 1 1 352 1 . . . 1 1 353 1 . . . 1 1 354 1 . . . 1 1 355 1 . . . 1 1 356 1 . . . 1 1 357 1 . . . 1 1 358 1 . . . 1 1 359 1 . . . 1 1 360 1 . . . 1 1 361 1 . . . 1 1 362 1 . . . 1 1 363 1 . . . 1 1 364 1 . . . 1 1 365 1 . . . 1 1 366 1 . . . 1 1 367 1 . . . 1 1 368 1 . . . 1 1 369 1 . . . 1 1 370 1 . . . 1 1 371 1 . . . 1 1 372 1 . . . 1 1 373 1 . . . 1 1 374 1 . . . 1 1 375 1 . . . 1 1 376 1 . . . 1 1 377 1 . . . 1 1 378 1 . . . 1 1 379 1 . . . 1 1 380 1 . . . 1 1 381 1 . . . 1 1 382 1 . . . 1 1 383 1 . . . 1 1 384 1 . . . 1 1 385 1 . . . 1 1 386 1 . . . 1 1 387 1 . . . 1 1 388 1 . . . 1 1 389 1 . . . 1 1 390 1 . . . 1 1 391 1 . . . 1 1 392 1 . . . 1 1 393 1 . . . 1 1 394 1 . . . 1 1 395 1 . . . 1 1 396 1 . . . 1 1 397 1 . . . 1 1 398 1 . . . 1 1 399 1 . . . 1 1 400 1 . . . 1 1 401 1 . . . 1 1 402 1 . . . 1 1 403 1 . . . 1 1 404 1 . . . 1 1 405 1 . . . 1 1 406 1 . . . 1 1 407 1 . . . 1 1 408 1 . . . 1 1 409 1 . . . 1 1 410 1 . . . 1 1 411 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 LYS HA . 2 LYS HA 1 1 1 1 2 1 1 3 LYS H . 3 LYS HN 1 1 2 1 1 1 1 2 LYS HB2 . 2 LYS HB2 1 1 2 1 2 1 1 3 LYS H . 3 LYS HN 1 1 3 1 1 1 1 2 LYS HB2 . 2 LYS HB2 1 1 3 1 2 1 1 4 TYR QD . 4 TYR QD 1 1 4 1 1 1 1 2 LYS HB3 . 2 LYS HB3 1 1 4 1 2 1 1 4 TYR QE . 4 TYR QE 1 1 5 1 1 1 1 2 LYS QD . 2 LYS QD 1 1 5 1 2 1 1 4 TYR QE . 4 TYR QE 1 1 6 1 1 1 1 2 LYS QD . 2 LYS QD 1 1 6 1 2 1 1 51 ALA MB . 51 ALA QB 1 1 7 1 1 1 1 2 LYS QE . 2 LYS QE 1 1 7 1 2 1 1 51 ALA MB . 51 ALA QB 1 1 8 1 1 1 1 2 LYS HG2 . 2 LYS HG2 1 1 8 1 2 1 1 4 TYR QE . 4 TYR QE 1 1 9 1 1 1 1 2 LYS HG3 . 2 LYS HG3 1 1 9 1 2 1 1 4 TYR QD . 4 TYR QD 1 1 10 1 1 1 1 3 LYS H . 3 LYS HN 1 1 10 1 2 1 1 3 LYS HD2 . 3 LYS HD2 1 1 11 1 1 1 1 3 LYS H . 3 LYS HN 1 1 11 1 2 1 1 3 LYS HD3 . 3 LYS HD3 1 1 12 1 1 1 1 3 LYS H . 3 LYS HN 1 1 12 1 2 1 1 4 TYR H . 4 TYR HN 1 1 13 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 13 1 2 1 1 3 LYS HD2 . 3 LYS HD2 1 1 14 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 14 1 2 1 1 3 LYS HD3 . 3 LYS HD3 1 1 15 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 15 1 2 1 1 4 TYR H . 4 TYR HN 1 1 16 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 16 1 2 1 1 15 PRO HD2 . 15 PRO HD2 1 1 17 1 1 1 1 3 LYS HA . 3 LYS HA 1 1 17 1 2 1 1 15 PRO HD3 . 15 PRO HD3 1 1 18 1 1 1 1 3 LYS QB . 3 LYS QB 1 1 18 1 2 1 1 4 TYR H . 4 TYR HN 1 1 19 1 1 1 1 3 LYS HD3 . 3 LYS HD3 1 1 19 1 2 1 1 14 ASP HA . 14 ASP HA 1 1 20 1 1 1 1 3 LYS QG . 3 LYS QG 1 1 20 1 2 1 1 14 ASP HA . 14 ASP HA 1 1 21 1 1 1 1 4 TYR H . 4 TYR HN 1 1 21 1 2 1 1 4 TYR HB2 . 4 TYR HB2 1 1 22 1 1 1 1 4 TYR H . 4 TYR HN 1 1 22 1 2 1 1 4 TYR HB3 . 4 TYR HB3 1 1 23 1 1 1 1 4 TYR H . 4 TYR HN 1 1 23 1 2 1 1 13 TYR H . 13 TYR HN 1 1 24 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 24 1 2 1 1 4 TYR HB3 . 4 TYR HB3 1 1 25 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 25 1 2 1 1 5 VAL H . 5 VAL HN 1 1 26 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 26 1 2 1 1 5 VAL MG1 . 5 VAL QG1 1 1 27 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 27 1 2 1 1 5 VAL MG2 . 5 VAL QG2 1 1 28 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 28 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 29 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 29 1 2 1 1 50 GLU H . 50 GLU HN 1 1 30 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 30 1 2 1 1 51 ALA HA . 51 ALA HA 1 1 31 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 31 1 2 1 1 51 ALA MB . 51 ALA QB 1 1 32 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 32 1 2 1 1 52 ALA H . 52 ALA HN 1 1 33 1 1 1 1 4 TYR HB2 . 4 TYR HB2 1 1 33 1 2 1 1 5 VAL H . 5 VAL HN 1 1 34 1 1 1 1 4 TYR HB2 . 4 TYR HB2 1 1 34 1 2 1 1 30 PHE QD . 30 PHE QD 1 1 35 1 1 1 1 4 TYR HB2 . 4 TYR HB2 1 1 35 1 2 1 1 30 PHE QE . 30 PHE QE 1 1 36 1 1 1 1 4 TYR HB2 . 4 TYR HB2 1 1 36 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 37 1 1 1 1 4 TYR HB3 . 4 TYR HB3 1 1 37 1 2 1 1 5 VAL H . 5 VAL HN 1 1 38 1 1 1 1 4 TYR HB3 . 4 TYR HB3 1 1 38 1 2 1 1 30 PHE QD . 30 PHE QD 1 1 39 1 1 1 1 4 TYR HB3 . 4 TYR HB3 1 1 39 1 2 1 1 30 PHE QE . 30 PHE QE 1 1 40 1 1 1 1 4 TYR HB3 . 4 TYR HB3 1 1 40 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 41 1 1 1 1 4 TYR HB3 . 4 TYR HB3 1 1 41 1 2 1 1 50 GLU H . 50 GLU HN 1 1 42 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 42 1 2 1 1 5 VAL H . 5 VAL HN 1 1 43 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 43 1 2 1 1 5 VAL MG1 . 5 VAL QG1 1 1 44 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 44 1 2 1 1 30 PHE H . 30 PHE HN 1 1 45 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 45 1 2 1 1 30 PHE HB2 . 30 PHE HB2 1 1 46 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 46 1 2 1 1 30 PHE HB3 . 30 PHE HB3 1 1 47 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 47 1 2 1 1 49 PHE HB3 . 49 PHE HB3 1 1 48 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 48 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 49 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 49 1 2 1 1 50 GLU H . 50 GLU HN 1 1 50 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 50 1 2 1 1 50 GLU HA . 50 GLU HA 1 1 51 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 51 1 2 1 1 51 ALA H . 51 ALA HN 1 1 52 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 52 1 2 1 1 51 ALA HA . 51 ALA HA 1 1 53 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 53 1 2 1 1 51 ALA MB . 51 ALA QB 1 1 54 1 1 1 1 4 TYR QD . 4 TYR QD 1 1 54 1 2 1 1 52 ALA H . 52 ALA HN 1 1 55 1 1 1 1 4 TYR QE . 4 TYR QE 1 1 55 1 2 1 1 30 PHE HB2 . 30 PHE HB2 1 1 56 1 1 1 1 4 TYR QE . 4 TYR QE 1 1 56 1 2 1 1 30 PHE HB3 . 30 PHE HB3 1 1 57 1 1 1 1 4 TYR QE . 4 TYR QE 1 1 57 1 2 1 1 50 GLU HA . 50 GLU HA 1 1 58 1 1 1 1 4 TYR QE . 4 TYR QE 1 1 58 1 2 1 1 51 ALA H . 51 ALA HN 1 1 59 1 1 1 1 4 TYR QE . 4 TYR QE 1 1 59 1 2 1 1 51 ALA HA . 51 ALA HA 1 1 60 1 1 1 1 4 TYR QE . 4 TYR QE 1 1 60 1 2 1 1 51 ALA MB . 51 ALA QB 1 1 61 1 1 1 1 5 VAL H . 5 VAL HN 1 1 61 1 2 1 1 5 VAL HB . 5 VAL HB 1 1 62 1 1 1 1 5 VAL H . 5 VAL HN 1 1 62 1 2 1 1 5 VAL MG1 . 5 VAL QG1 1 1 63 1 1 1 1 5 VAL H . 5 VAL HN 1 1 63 1 2 1 1 5 VAL MG2 . 5 VAL QG2 1 1 64 1 1 1 1 5 VAL H . 5 VAL HN 1 1 64 1 2 1 1 49 PHE HA . 49 PHE HA 1 1 65 1 1 1 1 5 VAL H . 5 VAL HN 1 1 65 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 66 1 1 1 1 5 VAL H . 5 VAL HN 1 1 66 1 2 1 1 50 GLU H . 50 GLU HN 1 1 67 1 1 1 1 5 VAL H . 5 VAL HN 1 1 67 1 2 1 1 51 ALA HA . 51 ALA HA 1 1 68 1 1 1 1 5 VAL H . 5 VAL HN 1 1 68 1 2 1 1 51 ALA MB . 51 ALA QB 1 1 69 1 1 1 1 5 VAL H . 5 VAL HN 1 1 69 1 2 1 1 52 ALA H . 52 ALA HN 1 1 70 1 1 1 1 5 VAL H . 5 VAL HN 1 1 70 1 2 1 1 52 ALA MB . 52 ALA QB 1 1 71 1 1 1 1 5 VAL HA . 5 VAL HA 1 1 71 1 2 1 1 5 VAL HB . 5 VAL HB 1 1 72 1 1 1 1 5 VAL HA . 5 VAL HA 1 1 72 1 2 1 1 6 CYS H . 6 CYSS HN 1 1 73 1 1 1 1 5 VAL HA . 5 VAL HA 1 1 73 1 2 1 1 12 GLU HA . 12 GLU HA 1 1 74 1 1 1 1 5 VAL HA . 5 VAL HA 1 1 74 1 2 1 1 12 GLU QB . 12 GLU QB 1 1 75 1 1 1 1 5 VAL HA . 5 VAL HA 1 1 75 1 2 1 1 13 TYR H . 13 TYR HN 1 1 76 1 1 1 1 5 VAL HA . 5 VAL HA 1 1 76 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 77 1 1 1 1 5 VAL HB . 5 VAL HB 1 1 77 1 2 1 1 50 GLU H . 50 GLU HN 1 1 78 1 1 1 1 5 VAL MG1 . 5 VAL QG1 1 1 78 1 2 1 1 6 CYS H . 6 CYSS HN 1 1 79 1 1 1 1 5 VAL MG1 . 5 VAL QG1 1 1 79 1 2 1 1 7 THR HA . 7 THR HA 1 1 80 1 1 1 1 5 VAL MG1 . 5 VAL QG1 1 1 80 1 2 1 1 12 GLU HA . 12 GLU HA 1 1 81 1 1 1 1 5 VAL MG1 . 5 VAL QG1 1 1 81 1 2 1 1 50 GLU H . 50 GLU HN 1 1 82 1 1 1 1 5 VAL MG2 . 5 VAL QG2 1 1 82 1 2 1 1 6 CYS H . 6 CYSS HN 1 1 83 1 1 1 1 5 VAL MG2 . 5 VAL QG2 1 1 83 1 2 1 1 12 GLU HA . 12 GLU HA 1 1 84 1 1 1 1 5 VAL MG2 . 5 VAL QG2 1 1 84 1 2 1 1 50 GLU H . 50 GLU HN 1 1 85 1 1 1 1 6 CYS C . 6 CYSS C 1 1 85 1 2 1 1 6 CYS SG . 6 CYSS SG 1 1 86 1 1 1 1 6 CYS SG . 6 CYSS SG 1 1 86 1 2 1 1 9 CYS SG . 9 CYSS SG 1 1 87 1 1 1 1 6 CYS SG . 6 CYSS SG 1 1 87 1 2 1 1 39 CYS SG . 39 CYSS SG 1 1 88 1 1 1 1 6 CYS SG . 6 CYSS SG 1 1 88 1 2 1 1 42 CYS SG . 42 CYSS SG 1 1 89 1 1 1 1 7 THR MG . 7 THR QG2 1 1 89 1 2 1 1 49 PHE HA . 49 PHE HA 1 1 90 1 1 1 1 7 THR MG . 7 THR QG2 1 1 90 1 2 1 1 50 GLU H . 50 GLU HN 1 1 91 1 1 1 1 7 THR MG . 7 THR QG2 1 1 91 1 2 1 1 50 GLU HB2 . 50 GLU HB2 1 1 92 1 1 1 1 7 THR MG . 7 THR QG2 1 1 92 1 2 1 1 50 GLU HG2 . 50 GLU HG2 1 1 93 1 1 1 1 9 CYS C . 9 CYSS C 1 1 93 1 2 1 1 9 CYS SG . 9 CYSS SG 1 1 94 1 1 1 1 9 CYS SG . 9 CYSS SG 1 1 94 1 2 1 1 39 CYS SG . 39 CYSS SG 1 1 95 1 1 1 1 9 CYS SG . 9 CYSS SG 1 1 95 1 2 1 1 42 CYS SG . 42 CYSS SG 1 1 96 1 1 1 1 11 TYR HA . 11 TYR HA 1 1 96 1 2 1 1 12 GLU H . 12 GLU HN 1 1 97 1 1 1 1 12 GLU H . 12 GLU HN 1 1 97 1 2 1 1 12 GLU HG2 . 12 GLU HG2 1 1 98 1 1 1 1 12 GLU H . 12 GLU HN 1 1 98 1 2 1 1 12 GLU HG3 . 12 GLU HG3 1 1 99 1 1 1 1 12 GLU HA . 12 GLU HA 1 1 99 1 2 1 1 12 GLU HG2 . 12 GLU HG2 1 1 100 1 1 1 1 12 GLU HA . 12 GLU HA 1 1 100 1 2 1 1 13 TYR H . 13 TYR HN 1 1 101 1 1 1 1 12 GLU HG2 . 12 GLU HG2 1 1 101 1 2 1 1 13 TYR H . 13 TYR HN 1 1 102 1 1 1 1 12 GLU HG3 . 12 GLU HG3 1 1 102 1 2 1 1 13 TYR H . 13 TYR HN 1 1 103 1 1 1 1 13 TYR H . 13 TYR HN 1 1 103 1 2 1 1 13 TYR HB3 . 13 TYR HB3 1 1 104 1 1 1 1 13 TYR H . 13 TYR HN 1 1 104 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 105 1 1 1 1 13 TYR HA . 13 TYR HA 1 1 105 1 2 1 1 14 ASP H . 14 ASP HN 1 1 106 1 1 1 1 13 TYR HB3 . 13 TYR HB3 1 1 106 1 2 1 1 30 PHE QD . 30 PHE QD 1 1 107 1 1 1 1 13 TYR QD . 13 TYR QD 1 1 107 1 2 1 1 30 PHE HB2 . 30 PHE HB2 1 1 108 1 1 1 1 13 TYR QD . 13 TYR QD 1 1 108 1 2 1 1 30 PHE QD . 30 PHE QD 1 1 109 1 1 1 1 13 TYR QE . 13 TYR QE 1 1 109 1 2 1 1 15 PRO HA . 15 PRO HA 1 1 110 1 1 1 1 13 TYR QE . 13 TYR QE 1 1 110 1 2 1 1 15 PRO HB2 . 15 PRO HB2 1 1 111 1 1 1 1 13 TYR QE . 13 TYR QE 1 1 111 1 2 1 1 15 PRO HB3 . 15 PRO HB3 1 1 112 1 1 1 1 13 TYR QE . 13 TYR QE 1 1 112 1 2 1 1 33 LEU MD1 . 33 LEU QD1 1 1 113 1 1 1 1 13 TYR QE . 13 TYR QE 1 1 113 1 2 1 1 33 LEU MD2 . 33 LEU QD2 1 1 114 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 114 1 2 1 1 15 PRO HA . 15 PRO HA 1 1 115 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 115 1 2 1 1 15 PRO HB2 . 15 PRO HB2 1 1 116 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 116 1 2 1 1 15 PRO HB3 . 15 PRO HB3 1 1 117 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 117 1 2 1 1 15 PRO HG3 . 15 PRO HG3 1 1 118 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 118 1 2 1 1 18 GLY H . 18 GLY HN 1 1 119 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 119 1 2 1 1 18 GLY HA2 . 18 GLY HA1 1 1 120 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 120 1 2 1 1 18 GLY HA3 . 18 GLY HA2 1 1 121 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 121 1 2 1 1 24 VAL MG1 . 24 VAL QG1 1 1 122 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 122 1 2 1 1 28 THR H . 28 THR HN 1 1 123 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 123 1 2 1 1 28 THR HB . 28 THR HB 1 1 124 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 124 1 2 1 1 28 THR MG . 28 THR QG2 1 1 125 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 125 1 2 1 1 33 LEU MD1 . 33 LEU QD1 1 1 126 1 1 1 1 13 TYR HH . 13 TYR HH 1 1 126 1 2 1 1 33 LEU MD2 . 33 LEU QD2 1 1 127 1 1 1 1 14 ASP H . 14 ASP HN 1 1 127 1 2 1 1 14 ASP HB2 . 14 ASP HB2 1 1 128 1 1 1 1 14 ASP H . 14 ASP HN 1 1 128 1 2 1 1 14 ASP HB3 . 14 ASP HB3 1 1 129 1 1 1 1 14 ASP H . 14 ASP HN 1 1 129 1 2 1 1 17 GLU HB3 . 17 GLU HB3 1 1 130 1 1 1 1 14 ASP H . 14 ASP HN 1 1 130 1 2 1 1 17 GLU QG . 17 GLU QG 1 1 131 1 1 1 1 14 ASP HA . 14 ASP HA 1 1 131 1 2 1 1 15 PRO HD2 . 15 PRO HD2 1 1 132 1 1 1 1 14 ASP HA . 14 ASP HA 1 1 132 1 2 1 1 15 PRO HD3 . 15 PRO HD3 1 1 133 1 1 1 1 14 ASP HB3 . 14 ASP HB3 1 1 133 1 2 1 1 17 GLU H . 17 GLU HN 1 1 134 1 1 1 1 14 ASP HB3 . 14 ASP HB3 1 1 134 1 2 1 1 17 GLU QG . 17 GLU QG 1 1 135 1 1 1 1 15 PRO HA . 15 PRO HA 1 1 135 1 2 1 1 18 GLY H . 18 GLY HN 1 1 136 1 1 1 1 15 PRO HB2 . 15 PRO HB2 1 1 136 1 2 1 1 30 PHE H . 30 PHE HN 1 1 137 1 1 1 1 15 PRO HB3 . 15 PRO HB3 1 1 137 1 2 1 1 16 ALA H . 16 ALA HN 1 1 138 1 1 1 1 15 PRO HB3 . 15 PRO HB3 1 1 138 1 2 1 1 29 SER HB2 . 29 SER HB2 1 1 139 1 1 1 1 15 PRO HB3 . 15 PRO HB3 1 1 139 1 2 1 1 30 PHE H . 30 PHE HN 1 1 140 1 1 1 1 15 PRO HG2 . 15 PRO HG2 1 1 140 1 2 1 1 16 ALA H . 16 ALA HN 1 1 141 1 1 1 1 15 PRO HG2 . 15 PRO HG2 1 1 141 1 2 1 1 30 PHE H . 30 PHE HN 1 1 142 1 1 1 1 15 PRO HG3 . 15 PRO HG3 1 1 142 1 2 1 1 16 ALA H . 16 ALA HN 1 1 143 1 1 1 1 16 ALA H . 16 ALA HN 1 1 143 1 2 1 1 16 ALA MB . 16 ALA QB 1 1 144 1 1 1 1 16 ALA H . 16 ALA HN 1 1 144 1 2 1 1 17 GLU H . 17 GLU HN 1 1 145 1 1 1 1 16 ALA HA . 16 ALA HA 1 1 145 1 2 1 1 27 GLY H . 27 GLY HN 1 1 146 1 1 1 1 16 ALA HA . 16 ALA HA 1 1 146 1 2 1 1 27 GLY HA3 . 27 GLY HA2 1 1 147 1 1 1 1 16 ALA MB . 16 ALA QB 1 1 147 1 2 1 1 17 GLU H . 17 GLU HN 1 1 148 1 1 1 1 16 ALA MB . 16 ALA QB 1 1 148 1 2 1 1 18 GLY H . 18 GLY HN 1 1 149 1 1 1 1 17 GLU H . 17 GLU HN 1 1 149 1 2 1 1 17 GLU HB2 . 17 GLU HB2 1 1 150 1 1 1 1 17 GLU H . 17 GLU HN 1 1 150 1 2 1 1 17 GLU HB3 . 17 GLU HB3 1 1 151 1 1 1 1 17 GLU H . 17 GLU HN 1 1 151 1 2 1 1 17 GLU QG . 17 GLU QG 1 1 152 1 1 1 1 17 GLU H . 17 GLU HN 1 1 152 1 2 1 1 18 GLY H . 18 GLY HN 1 1 153 1 1 1 1 17 GLU HA . 17 GLU HA 1 1 153 1 2 1 1 17 GLU HB3 . 17 GLU HB3 1 1 154 1 1 1 1 17 GLU HA . 17 GLU HA 1 1 154 1 2 1 1 26 PRO HA . 26 PRO HA 1 1 155 1 1 1 1 17 GLU HB3 . 17 GLU HB3 1 1 155 1 2 1 1 18 GLY H . 18 GLY HN 1 1 156 1 1 1 1 17 GLU QG . 17 GLU QG 1 1 156 1 2 1 1 18 GLY H . 18 GLY HN 1 1 157 1 1 1 1 18 GLY H . 18 GLY HN 1 1 157 1 2 1 1 26 PRO HA . 26 PRO HA 1 1 158 1 1 1 1 18 GLY HA2 . 18 GLY HA1 1 1 158 1 2 1 1 19 ASP H . 19 ASP HN 1 1 159 1 1 1 1 18 GLY HA2 . 18 GLY HA1 1 1 159 1 2 1 1 24 VAL MG1 . 24 VAL QG1 1 1 160 1 1 1 1 18 GLY HA2 . 18 GLY HA1 1 1 160 1 2 1 1 24 VAL MG2 . 24 VAL QG2 1 1 161 1 1 1 1 18 GLY HA2 . 18 GLY HA1 1 1 161 1 2 1 1 26 PRO HA . 26 PRO HA 1 1 162 1 1 1 1 18 GLY HA3 . 18 GLY HA2 1 1 162 1 2 1 1 19 ASP H . 19 ASP HN 1 1 163 1 1 1 1 18 GLY HA3 . 18 GLY HA2 1 1 163 1 2 1 1 24 VAL MG1 . 24 VAL QG1 1 1 164 1 1 1 1 19 ASP H . 19 ASP HN 1 1 164 1 2 1 1 19 ASP HB2 . 19 ASP HB2 1 1 165 1 1 1 1 19 ASP H . 19 ASP HN 1 1 165 1 2 1 1 19 ASP HB3 . 19 ASP HB3 1 1 166 1 1 1 1 19 ASP H . 19 ASP HN 1 1 166 1 2 1 1 20 PRO QD . 20 PRO QD 1 1 167 1 1 1 1 19 ASP H . 19 ASP HN 1 1 167 1 2 1 1 24 VAL H . 24 VAL HN 1 1 168 1 1 1 1 19 ASP H . 19 ASP HN 1 1 168 1 2 1 1 24 VAL HB . 24 VAL HB 1 1 169 1 1 1 1 19 ASP H . 19 ASP HN 1 1 169 1 2 1 1 24 VAL MG1 . 24 VAL QG1 1 1 170 1 1 1 1 19 ASP H . 19 ASP HN 1 1 170 1 2 1 1 24 VAL MG2 . 24 VAL QG2 1 1 171 1 1 1 1 19 ASP H . 19 ASP HN 1 1 171 1 2 1 1 33 LEU MD2 . 33 LEU QD2 1 1 172 1 1 1 1 19 ASP HB2 . 19 ASP HB2 1 1 172 1 2 1 1 24 VAL HB . 24 VAL HB 1 1 173 1 1 1 1 19 ASP HB2 . 19 ASP HB2 1 1 173 1 2 1 1 24 VAL MG1 . 24 VAL QG1 1 1 174 1 1 1 1 19 ASP HB2 . 19 ASP HB2 1 1 174 1 2 1 1 24 VAL MG2 . 24 VAL QG2 1 1 175 1 1 1 1 19 ASP HB2 . 19 ASP HB2 1 1 175 1 2 1 1 37 TRP HE1 . 37 TRP HE1 1 1 176 1 1 1 1 19 ASP HB3 . 19 ASP HB3 1 1 176 1 2 1 1 24 VAL HB . 24 VAL HB 1 1 177 1 1 1 1 19 ASP HB3 . 19 ASP HB3 1 1 177 1 2 1 1 24 VAL MG1 . 24 VAL QG1 1 1 178 1 1 1 1 19 ASP HB3 . 19 ASP HB3 1 1 178 1 2 1 1 24 VAL MG2 . 24 VAL QG2 1 1 179 1 1 1 1 19 ASP HB3 . 19 ASP HB3 1 1 179 1 2 1 1 37 TRP HE1 . 37 TRP HE1 1 1 180 1 1 1 1 20 PRO HA . 20 PRO HA 1 1 180 1 2 1 1 23 GLY H . 23 GLY HN 1 1 181 1 1 1 1 20 PRO HA . 20 PRO HA 1 1 181 1 2 1 1 24 VAL H . 24 VAL HN 1 1 182 1 1 1 1 20 PRO HB2 . 20 PRO HB2 1 1 182 1 2 1 1 21 ASP H . 21 ASP HN 1 1 183 1 1 1 1 21 ASP H . 21 ASP HN 1 1 183 1 2 1 1 21 ASP HB2 . 21 ASP HB2 1 1 184 1 1 1 1 21 ASP H . 21 ASP HN 1 1 184 1 2 1 1 21 ASP HB3 . 21 ASP HB3 1 1 185 1 1 1 1 21 ASP H . 21 ASP HN 1 1 185 1 2 1 1 22 ASN H . 22 ASN HN 1 1 186 1 1 1 1 21 ASP H . 21 ASP HN 1 1 186 1 2 1 1 23 GLY H . 23 GLY HN 1 1 187 1 1 1 1 21 ASP HB2 . 21 ASP HB2 1 1 187 1 2 1 1 22 ASN H . 22 ASN HN 1 1 188 1 1 1 1 21 ASP HB2 . 21 ASP HB2 1 1 188 1 2 1 1 22 ASN HD22 . 22 ASN HD22 1 1 189 1 1 1 1 21 ASP HB3 . 21 ASP HB3 1 1 189 1 2 1 1 22 ASN H . 22 ASN HN 1 1 190 1 1 1 1 21 ASP HB3 . 21 ASP HB3 1 1 190 1 2 1 1 22 ASN HD22 . 22 ASN HD22 1 1 191 1 1 1 1 21 ASP HB3 . 21 ASP HB3 1 1 191 1 2 1 1 37 TRP HD1 . 37 TRP HD1 1 1 192 1 1 1 1 22 ASN H . 22 ASN HN 1 1 192 1 2 1 1 22 ASN HB3 . 22 ASN HB3 1 1 193 1 1 1 1 22 ASN HA . 22 ASN HA 1 1 193 1 2 1 1 22 ASN HB3 . 22 ASN HB3 1 1 194 1 1 1 1 22 ASN HB2 . 22 ASN HB2 1 1 194 1 2 1 1 22 ASN HD21 . 22 ASN HD21 1 1 195 1 1 1 1 22 ASN HB2 . 22 ASN HB2 1 1 195 1 2 1 1 22 ASN HD22 . 22 ASN HD22 1 1 196 1 1 1 1 22 ASN HB2 . 22 ASN HB2 1 1 196 1 2 1 1 37 TRP HD1 . 37 TRP HD1 1 1 197 1 1 1 1 22 ASN HB3 . 22 ASN HB3 1 1 197 1 2 1 1 37 TRP HD1 . 37 TRP HD1 1 1 198 1 1 1 1 22 ASN HB3 . 22 ASN HB3 1 1 198 1 2 1 1 37 TRP HE1 . 37 TRP HE1 1 1 199 1 1 1 1 22 ASN HD21 . 22 ASN HD21 1 1 199 1 2 1 1 37 TRP HE1 . 37 TRP HE1 1 1 200 1 1 1 1 22 ASN HD21 . 22 ASN HD21 1 1 200 1 2 1 1 40 PRO HB2 . 40 PRO HB2 1 1 201 1 1 1 1 22 ASN HD21 . 22 ASN HD21 1 1 201 1 2 1 1 40 PRO HB3 . 40 PRO HB3 1 1 202 1 1 1 1 22 ASN HD21 . 22 ASN HD21 1 1 202 1 2 1 1 40 PRO HG3 . 40 PRO HG3 1 1 203 1 1 1 1 22 ASN HD22 . 22 ASN HD22 1 1 203 1 2 1 1 40 PRO HB2 . 40 PRO HB2 1 1 204 1 1 1 1 22 ASN HD22 . 22 ASN HD22 1 1 204 1 2 1 1 40 PRO HB3 . 40 PRO HB3 1 1 205 1 1 1 1 22 ASN HD22 . 22 ASN HD22 1 1 205 1 2 1 1 40 PRO HG3 . 40 PRO HG3 1 1 206 1 1 1 1 23 GLY H . 23 GLY HN 1 1 206 1 2 1 1 23 GLY HA3 . 23 GLY HA2 1 1 207 1 1 1 1 23 GLY HA3 . 23 GLY HA2 1 1 207 1 2 1 1 24 VAL H . 24 VAL HN 1 1 208 1 1 1 1 24 VAL H . 24 VAL HN 1 1 208 1 2 1 1 24 VAL HB . 24 VAL HB 1 1 209 1 1 1 1 24 VAL H . 24 VAL HN 1 1 209 1 2 1 1 24 VAL MG2 . 24 VAL QG2 1 1 210 1 1 1 1 24 VAL HA . 24 VAL HA 1 1 210 1 2 1 1 25 LYS H . 25 LYS HN 1 1 211 1 1 1 1 24 VAL HB . 24 VAL HB 1 1 211 1 2 1 1 25 LYS H . 25 LYS HN 1 1 212 1 1 1 1 24 VAL HB . 24 VAL HB 1 1 212 1 2 1 1 33 LEU MD2 . 33 LEU QD2 1 1 213 1 1 1 1 24 VAL HB . 24 VAL HB 1 1 213 1 2 1 1 37 TRP HD1 . 37 TRP HD1 1 1 214 1 1 1 1 24 VAL HB . 24 VAL HB 1 1 214 1 2 1 1 37 TRP HE1 . 37 TRP HE1 1 1 215 1 1 1 1 24 VAL MG1 . 24 VAL QG1 1 1 215 1 2 1 1 25 LYS H . 25 LYS HN 1 1 216 1 1 1 1 24 VAL MG1 . 24 VAL QG1 1 1 216 1 2 1 1 28 THR H . 28 THR HN 1 1 217 1 1 1 1 24 VAL MG1 . 24 VAL QG1 1 1 217 1 2 1 1 28 THR HB . 28 THR HB 1 1 218 1 1 1 1 24 VAL MG1 . 24 VAL QG1 1 1 218 1 2 1 1 28 THR HG1 . 28 THR HG1 1 1 219 1 1 1 1 24 VAL MG1 . 24 VAL QG1 1 1 219 1 2 1 1 33 LEU MD1 . 33 LEU QD1 1 1 220 1 1 1 1 24 VAL MG1 . 24 VAL QG1 1 1 220 1 2 1 1 33 LEU MD2 . 33 LEU QD2 1 1 221 1 1 1 1 24 VAL MG2 . 24 VAL QG2 1 1 221 1 2 1 1 25 LYS H . 25 LYS HN 1 1 222 1 1 1 1 24 VAL MG2 . 24 VAL QG2 1 1 222 1 2 1 1 33 LEU MD2 . 33 LEU QD2 1 1 223 1 1 1 1 24 VAL MG2 . 24 VAL QG2 1 1 223 1 2 1 1 34 PRO HD3 . 34 PRO HD3 1 1 224 1 1 1 1 24 VAL MG2 . 24 VAL QG2 1 1 224 1 2 1 1 37 TRP HD1 . 37 TRP HD1 1 1 225 1 1 1 1 24 VAL MG2 . 24 VAL QG2 1 1 225 1 2 1 1 37 TRP HE1 . 37 TRP HE1 1 1 226 1 1 1 1 25 LYS H . 25 LYS HN 1 1 226 1 2 1 1 25 LYS QD . 25 LYS QD 1 1 227 1 1 1 1 25 LYS H . 25 LYS HN 1 1 227 1 2 1 1 28 THR HG1 . 28 THR HG1 1 1 228 1 1 1 1 25 LYS HA . 25 LYS HA 1 1 228 1 2 1 1 26 PRO HD2 . 26 PRO HD2 1 1 229 1 1 1 1 25 LYS HA . 25 LYS HA 1 1 229 1 2 1 1 26 PRO HD3 . 26 PRO HD3 1 1 230 1 1 1 1 25 LYS QB . 25 LYS QB 1 1 230 1 2 1 1 28 THR HG1 . 28 THR HG1 1 1 231 1 1 1 1 25 LYS QD . 25 LYS QD 1 1 231 1 2 1 1 26 PRO HD3 . 26 PRO HD3 1 1 232 1 1 1 1 25 LYS QD . 25 LYS QD 1 1 232 1 2 1 1 28 THR HG1 . 28 THR HG1 1 1 233 1 1 1 1 25 LYS QE . 25 LYS QE 1 1 233 1 2 1 1 28 THR HG1 . 28 THR HG1 1 1 234 1 1 1 1 25 LYS QG . 25 LYS QG 1 1 234 1 2 1 1 28 THR HG1 . 28 THR HG1 1 1 235 1 1 1 1 26 PRO HA . 26 PRO HA 1 1 235 1 2 1 1 27 GLY H . 27 GLY HN 1 1 236 1 1 1 1 26 PRO HA . 26 PRO HA 1 1 236 1 2 1 1 28 THR H . 28 THR HN 1 1 237 1 1 1 1 26 PRO HB2 . 26 PRO HB2 1 1 237 1 2 1 1 27 GLY H . 27 GLY HN 1 1 238 1 1 1 1 26 PRO HB3 . 26 PRO HB3 1 1 238 1 2 1 1 27 GLY H . 27 GLY HN 1 1 239 1 1 1 1 27 GLY H . 27 GLY HN 1 1 239 1 2 1 1 28 THR H . 28 THR HN 1 1 240 1 1 1 1 27 GLY HA3 . 27 GLY HA2 1 1 240 1 2 1 1 28 THR H . 28 THR HN 1 1 241 1 1 1 1 28 THR H . 28 THR HN 1 1 241 1 2 1 1 28 THR HB . 28 THR HB 1 1 242 1 1 1 1 28 THR H . 28 THR HN 1 1 242 1 2 1 1 28 THR HG1 . 28 THR HG1 1 1 243 1 1 1 1 28 THR HB . 28 THR HB 1 1 243 1 2 1 1 33 LEU MD2 . 33 LEU QD2 1 1 244 1 1 1 1 28 THR MG . 28 THR QG2 1 1 244 1 2 1 1 29 SER H . 29 SER HN 1 1 245 1 1 1 1 28 THR MG . 28 THR QG2 1 1 245 1 2 1 1 30 PHE H . 30 PHE HN 1 1 246 1 1 1 1 28 THR MG . 28 THR QG2 1 1 246 1 2 1 1 30 PHE QD . 30 PHE QD 1 1 247 1 1 1 1 28 THR MG . 28 THR QG2 1 1 247 1 2 1 1 32 ASP H . 32 ASP HN 1 1 248 1 1 1 1 28 THR MG . 28 THR QG2 1 1 248 1 2 1 1 32 ASP HB2 . 32 ASP HB2 1 1 249 1 1 1 1 28 THR MG . 28 THR QG2 1 1 249 1 2 1 1 32 ASP HB3 . 32 ASP HB3 1 1 250 1 1 1 1 29 SER H . 29 SER HN 1 1 250 1 2 1 1 29 SER HA . 29 SER HA 1 1 251 1 1 1 1 29 SER H . 29 SER HN 1 1 251 1 2 1 1 29 SER HB3 . 29 SER HB3 1 1 252 1 1 1 1 29 SER H . 29 SER HN 1 1 252 1 2 1 1 32 ASP HB2 . 32 ASP HB2 1 1 253 1 1 1 1 29 SER H . 29 SER HN 1 1 253 1 2 1 1 32 ASP HB3 . 32 ASP HB3 1 1 254 1 1 1 1 29 SER HB2 . 29 SER HB2 1 1 254 1 2 1 1 30 PHE H . 30 PHE HN 1 1 255 1 1 1 1 29 SER HB3 . 29 SER HB3 1 1 255 1 2 1 1 30 PHE H . 30 PHE HN 1 1 256 1 1 1 1 30 PHE H . 30 PHE HN 1 1 256 1 2 1 1 30 PHE HB2 . 30 PHE HB2 1 1 257 1 1 1 1 30 PHE H . 30 PHE HN 1 1 257 1 2 1 1 30 PHE HB3 . 30 PHE HB3 1 1 258 1 1 1 1 30 PHE H . 30 PHE HN 1 1 258 1 2 1 1 31 ASP H . 31 ASP HN 1 1 259 1 1 1 1 30 PHE H . 30 PHE HN 1 1 259 1 2 1 1 33 LEU MD1 . 33 LEU QD1 1 1 260 1 1 1 1 30 PHE HA . 30 PHE HA 1 1 260 1 2 1 1 30 PHE HB2 . 30 PHE HB2 1 1 261 1 1 1 1 30 PHE HA . 30 PHE HA 1 1 261 1 2 1 1 33 LEU H . 33 LEU HN 1 1 262 1 1 1 1 30 PHE HA . 30 PHE HA 1 1 262 1 2 1 1 33 LEU MD1 . 33 LEU QD1 1 1 263 1 1 1 1 30 PHE HA . 30 PHE HA 1 1 263 1 2 1 1 33 LEU MD2 . 33 LEU QD2 1 1 264 1 1 1 1 30 PHE HA . 30 PHE HA 1 1 264 1 2 1 1 33 LEU HG . 33 LEU HG 1 1 265 1 1 1 1 30 PHE HB2 . 30 PHE HB2 1 1 265 1 2 1 1 31 ASP H . 31 ASP HN 1 1 266 1 1 1 1 30 PHE HB3 . 30 PHE HB3 1 1 266 1 2 1 1 31 ASP H . 31 ASP HN 1 1 267 1 1 1 1 30 PHE QD . 30 PHE QD 1 1 267 1 2 1 1 31 ASP H . 31 ASP HN 1 1 268 1 1 1 1 30 PHE QD . 30 PHE QD 1 1 268 1 2 1 1 31 ASP HA . 31 ASP HA 1 1 269 1 1 1 1 30 PHE QD . 30 PHE QD 1 1 269 1 2 1 1 33 LEU MD1 . 33 LEU QD1 1 1 270 1 1 1 1 30 PHE QD . 30 PHE QD 1 1 270 1 2 1 1 33 LEU MD2 . 33 LEU QD2 1 1 271 1 1 1 1 30 PHE QD . 30 PHE QD 1 1 271 1 2 1 1 37 TRP HE1 . 37 TRP HE1 1 1 272 1 1 1 1 30 PHE QD . 30 PHE QD 1 1 272 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 273 1 1 1 1 30 PHE QE . 30 PHE QE 1 1 273 1 2 1 1 33 LEU MD1 . 33 LEU QD1 1 1 274 1 1 1 1 30 PHE QE . 30 PHE QE 1 1 274 1 2 1 1 37 TRP HH2 . 37 TRP HH2 1 1 275 1 1 1 1 30 PHE QE . 30 PHE QE 1 1 275 1 2 1 1 37 TRP HZ3 . 37 TRP HZ3 1 1 276 1 1 1 1 30 PHE QE . 30 PHE QE 1 1 276 1 2 1 1 46 LYS HA . 46 LYS HA 1 1 277 1 1 1 1 30 PHE QE . 30 PHE QE 1 1 277 1 2 1 1 46 LYS HB2 . 46 LYS HB2 1 1 278 1 1 1 1 30 PHE QE . 30 PHE QE 1 1 278 1 2 1 1 46 LYS HB3 . 46 LYS HB3 1 1 279 1 1 1 1 30 PHE QE . 30 PHE QE 1 1 279 1 2 1 1 46 LYS QD . 46 LYS QD 1 1 280 1 1 1 1 30 PHE QE . 30 PHE QE 1 1 280 1 2 1 1 46 LYS QE . 46 LYS QE 1 1 281 1 1 1 1 30 PHE QE . 30 PHE QE 1 1 281 1 2 1 1 46 LYS QG . 46 LYS QG 1 1 282 1 1 1 1 30 PHE QE . 30 PHE QE 1 1 282 1 2 1 1 49 PHE HB2 . 49 PHE HB2 1 1 283 1 1 1 1 30 PHE QE . 30 PHE QE 1 1 283 1 2 1 1 49 PHE HB3 . 49 PHE HB3 1 1 284 1 1 1 1 30 PHE QE . 30 PHE QE 1 1 284 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 285 1 1 1 1 30 PHE HZ . 30 PHE HZ 1 1 285 1 2 1 1 46 LYS HA . 46 LYS HA 1 1 286 1 1 1 1 30 PHE HZ . 30 PHE HZ 1 1 286 1 2 1 1 46 LYS HB3 . 46 LYS HB3 1 1 287 1 1 1 1 30 PHE HZ . 30 PHE HZ 1 1 287 1 2 1 1 46 LYS QG . 46 LYS QG 1 1 288 1 1 1 1 30 PHE HZ . 30 PHE HZ 1 1 288 1 2 1 1 49 PHE HB2 . 49 PHE HB2 1 1 289 1 1 1 1 30 PHE HZ . 30 PHE HZ 1 1 289 1 2 1 1 49 PHE HB3 . 49 PHE HB3 1 1 290 1 1 1 1 30 PHE HZ . 30 PHE HZ 1 1 290 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 291 1 1 1 1 31 ASP H . 31 ASP HN 1 1 291 1 2 1 1 31 ASP HB2 . 31 ASP HB2 1 1 292 1 1 1 1 31 ASP H . 31 ASP HN 1 1 292 1 2 1 1 31 ASP HB3 . 31 ASP HB3 1 1 293 1 1 1 1 31 ASP H . 31 ASP HN 1 1 293 1 2 1 1 32 ASP H . 32 ASP HN 1 1 294 1 1 1 1 31 ASP HB2 . 31 ASP HB2 1 1 294 1 2 1 1 32 ASP H . 32 ASP HN 1 1 295 1 1 1 1 31 ASP HB3 . 31 ASP HB3 1 1 295 1 2 1 1 32 ASP H . 32 ASP HN 1 1 296 1 1 1 1 32 ASP H . 32 ASP HN 1 1 296 1 2 1 1 32 ASP HB2 . 32 ASP HB2 1 1 297 1 1 1 1 32 ASP H . 32 ASP HN 1 1 297 1 2 1 1 32 ASP HB3 . 32 ASP HB3 1 1 298 1 1 1 1 32 ASP H . 32 ASP HN 1 1 298 1 2 1 1 33 LEU H . 33 LEU HN 1 1 299 1 1 1 1 32 ASP HB3 . 32 ASP HB3 1 1 299 1 2 1 1 33 LEU H . 33 LEU HN 1 1 300 1 1 1 1 33 LEU H . 33 LEU HN 1 1 300 1 2 1 1 33 LEU HB2 . 33 LEU HB2 1 1 301 1 1 1 1 33 LEU H . 33 LEU HN 1 1 301 1 2 1 1 33 LEU HB3 . 33 LEU HB3 1 1 302 1 1 1 1 33 LEU H . 33 LEU HN 1 1 302 1 2 1 1 33 LEU MD1 . 33 LEU QD1 1 1 303 1 1 1 1 33 LEU H . 33 LEU HN 1 1 303 1 2 1 1 33 LEU MD2 . 33 LEU QD2 1 1 304 1 1 1 1 33 LEU H . 33 LEU HN 1 1 304 1 2 1 1 33 LEU HG . 33 LEU HG 1 1 305 1 1 1 1 33 LEU H . 33 LEU HN 1 1 305 1 2 1 1 46 LYS QE . 46 LYS QE 1 1 306 1 1 1 1 33 LEU HA . 33 LEU HA 1 1 306 1 2 1 1 33 LEU MD2 . 33 LEU QD2 1 1 307 1 1 1 1 33 LEU HA . 33 LEU HA 1 1 307 1 2 1 1 33 LEU HG . 33 LEU HG 1 1 308 1 1 1 1 33 LEU HA . 33 LEU HA 1 1 308 1 2 1 1 34 PRO HD3 . 34 PRO HD3 1 1 309 1 1 1 1 33 LEU HB2 . 33 LEU HB2 1 1 309 1 2 1 1 46 LYS HB2 . 46 LYS HB2 1 1 310 1 1 1 1 33 LEU HB2 . 33 LEU HB2 1 1 310 1 2 1 1 46 LYS QD . 46 LYS QD 1 1 311 1 1 1 1 33 LEU HB3 . 33 LEU HB3 1 1 311 1 2 1 1 34 PRO HD3 . 34 PRO HD3 1 1 312 1 1 1 1 33 LEU HB3 . 33 LEU HB3 1 1 312 1 2 1 1 37 TRP HB3 . 37 TRP HB3 1 1 313 1 1 1 1 33 LEU HB3 . 33 LEU HB3 1 1 313 1 2 1 1 37 TRP HE3 . 37 TRP HE3 1 1 314 1 1 1 1 33 LEU HB3 . 33 LEU HB3 1 1 314 1 2 1 1 46 LYS HB2 . 46 LYS HB2 1 1 315 1 1 1 1 33 LEU HB3 . 33 LEU HB3 1 1 315 1 2 1 1 46 LYS QD . 46 LYS QD 1 1 316 1 1 1 1 33 LEU MD1 . 33 LEU QD1 1 1 316 1 2 1 1 34 PRO HD2 . 34 PRO HD2 1 1 317 1 1 1 1 33 LEU MD1 . 33 LEU QD1 1 1 317 1 2 1 1 37 TRP HD1 . 37 TRP HD1 1 1 318 1 1 1 1 33 LEU MD1 . 33 LEU QD1 1 1 318 1 2 1 1 37 TRP HE1 . 37 TRP HE1 1 1 319 1 1 1 1 33 LEU MD1 . 33 LEU QD1 1 1 319 1 2 1 1 37 TRP HE3 . 37 TRP HE3 1 1 320 1 1 1 1 33 LEU MD1 . 33 LEU QD1 1 1 320 1 2 1 1 37 TRP HH2 . 37 TRP HH2 1 1 321 1 1 1 1 33 LEU MD1 . 33 LEU QD1 1 1 321 1 2 1 1 37 TRP HZ2 . 37 TRP HZ2 1 1 322 1 1 1 1 33 LEU MD1 . 33 LEU QD1 1 1 322 1 2 1 1 37 TRP HZ3 . 37 TRP HZ3 1 1 323 1 1 1 1 33 LEU MD1 . 33 LEU QD1 1 1 323 1 2 1 1 46 LYS HB2 . 46 LYS HB2 1 1 324 1 1 1 1 33 LEU MD1 . 33 LEU QD1 1 1 324 1 2 1 1 46 LYS HB3 . 46 LYS HB3 1 1 325 1 1 1 1 33 LEU MD1 . 33 LEU QD1 1 1 325 1 2 1 1 46 LYS QD . 46 LYS QD 1 1 326 1 1 1 1 33 LEU MD1 . 33 LEU QD1 1 1 326 1 2 1 1 46 LYS QG . 46 LYS QG 1 1 327 1 1 1 1 33 LEU MD2 . 33 LEU QD2 1 1 327 1 2 1 1 34 PRO HD2 . 34 PRO HD2 1 1 328 1 1 1 1 33 LEU MD2 . 33 LEU QD2 1 1 328 1 2 1 1 37 TRP HD1 . 37 TRP HD1 1 1 329 1 1 1 1 33 LEU MD2 . 33 LEU QD2 1 1 329 1 2 1 1 37 TRP HE1 . 37 TRP HE1 1 1 330 1 1 1 1 33 LEU MD2 . 33 LEU QD2 1 1 330 1 2 1 1 37 TRP HE3 . 37 TRP HE3 1 1 331 1 1 1 1 34 PRO HB2 . 34 PRO HB2 1 1 331 1 2 1 1 36 ASP H . 36 ASP HN 1 1 332 1 1 1 1 34 PRO HB2 . 34 PRO HB2 1 1 332 1 2 1 1 37 TRP H . 37 TRP HN 1 1 333 1 1 1 1 34 PRO HB2 . 34 PRO HB2 1 1 333 1 2 1 1 37 TRP HD1 . 37 TRP HD1 1 1 334 1 1 1 1 34 PRO QG . 34 PRO QG 1 1 334 1 2 1 1 36 ASP H . 36 ASP HN 1 1 335 1 1 1 1 34 PRO QG . 34 PRO QG 1 1 335 1 2 1 1 37 TRP H . 37 TRP HN 1 1 336 1 1 1 1 36 ASP H . 36 ASP HN 1 1 336 1 2 1 1 36 ASP HB2 . 36 ASP HB2 1 1 337 1 1 1 1 36 ASP H . 36 ASP HN 1 1 337 1 2 1 1 36 ASP HB3 . 36 ASP HB3 1 1 338 1 1 1 1 36 ASP H . 36 ASP HN 1 1 338 1 2 1 1 37 TRP H . 37 TRP HN 1 1 339 1 1 1 1 37 TRP H . 37 TRP HN 1 1 339 1 2 1 1 37 TRP HB2 . 37 TRP HB2 1 1 340 1 1 1 1 37 TRP H . 37 TRP HN 1 1 340 1 2 1 1 37 TRP HB3 . 37 TRP HB3 1 1 341 1 1 1 1 37 TRP HB2 . 37 TRP HB2 1 1 341 1 2 1 1 37 TRP HD1 . 37 TRP HD1 1 1 342 1 1 1 1 37 TRP HE3 . 37 TRP HE3 1 1 342 1 2 1 1 38 VAL HA . 38 VAL HA 1 1 343 1 1 1 1 37 TRP HE3 . 37 TRP HE3 1 1 343 1 2 1 1 46 LYS H . 46 LYS HN 1 1 344 1 1 1 1 37 TRP HE3 . 37 TRP HE3 1 1 344 1 2 1 1 46 LYS HA . 46 LYS HA 1 1 345 1 1 1 1 37 TRP HZ2 . 37 TRP HZ2 1 1 345 1 2 1 1 40 PRO HG2 . 40 PRO HG2 1 1 346 1 1 1 1 37 TRP HZ3 . 37 TRP HZ3 1 1 346 1 2 1 1 46 LYS HA . 46 LYS HA 1 1 347 1 1 1 1 37 TRP HZ3 . 37 TRP HZ3 1 1 347 1 2 1 1 46 LYS HB3 . 46 LYS HB3 1 1 348 1 1 1 1 37 TRP HZ3 . 37 TRP HZ3 1 1 348 1 2 1 1 46 LYS QG . 46 LYS QG 1 1 349 1 1 1 1 37 TRP HZ3 . 37 TRP HZ3 1 1 349 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 350 1 1 1 1 38 VAL H . 38 VAL HN 1 1 350 1 2 1 1 38 VAL HB . 38 VAL HB 1 1 351 1 1 1 1 38 VAL H . 38 VAL HN 1 1 351 1 2 1 1 38 VAL MG1 . 38 VAL QG1 1 1 352 1 1 1 1 38 VAL H . 38 VAL HN 1 1 352 1 2 1 1 38 VAL MG2 . 38 VAL QG2 1 1 353 1 1 1 1 38 VAL HA . 38 VAL HA 1 1 353 1 2 1 1 38 VAL HB . 38 VAL HB 1 1 354 1 1 1 1 38 VAL HA . 38 VAL HA 1 1 354 1 2 1 1 38 VAL MG1 . 38 VAL QG1 1 1 355 1 1 1 1 38 VAL HA . 38 VAL HA 1 1 355 1 2 1 1 39 CYS H . 39 CYSS HN 1 1 356 1 1 1 1 38 VAL HA . 38 VAL HA 1 1 356 1 2 1 1 45 PRO HA . 45 PRO HA 1 1 357 1 1 1 1 38 VAL HA . 38 VAL HA 1 1 357 1 2 1 1 46 LYS H . 46 LYS HN 1 1 358 1 1 1 1 38 VAL HB . 38 VAL HB 1 1 358 1 2 1 1 39 CYS H . 39 CYSS HN 1 1 359 1 1 1 1 38 VAL HB . 38 VAL HB 1 1 359 1 2 1 1 43 GLY HA2 . 43 GLY HA1 1 1 360 1 1 1 1 38 VAL HB . 38 VAL HB 1 1 360 1 2 1 1 43 GLY HA3 . 43 GLY HA2 1 1 361 1 1 1 1 38 VAL HB . 38 VAL HB 1 1 361 1 2 1 1 45 PRO HA . 45 PRO HA 1 1 362 1 1 1 1 38 VAL MG1 . 38 VAL QG1 1 1 362 1 2 1 1 39 CYS H . 39 CYSS HN 1 1 363 1 1 1 1 38 VAL MG1 . 38 VAL QG1 1 1 363 1 2 1 1 43 GLY HA2 . 43 GLY HA1 1 1 364 1 1 1 1 38 VAL MG1 . 38 VAL QG1 1 1 364 1 2 1 1 43 GLY HA3 . 43 GLY HA2 1 1 365 1 1 1 1 38 VAL MG1 . 38 VAL QG1 1 1 365 1 2 1 1 46 LYS H . 46 LYS HN 1 1 366 1 1 1 1 38 VAL MG2 . 38 VAL QG2 1 1 366 1 2 1 1 39 CYS H . 39 CYSS HN 1 1 367 1 1 1 1 38 VAL MG2 . 38 VAL QG2 1 1 367 1 2 1 1 43 GLY HA2 . 43 GLY HA1 1 1 368 1 1 1 1 38 VAL MG2 . 38 VAL QG2 1 1 368 1 2 1 1 43 GLY HA3 . 43 GLY HA2 1 1 369 1 1 1 1 38 VAL MG2 . 38 VAL QG2 1 1 369 1 2 1 1 46 LYS H . 46 LYS HN 1 1 370 1 1 1 1 39 CYS C . 39 CYSS C 1 1 370 1 2 1 1 39 CYS SG . 39 CYSS SG 1 1 371 1 1 1 1 39 CYS SG . 39 CYSS SG 1 1 371 1 2 1 1 42 CYS SG . 42 CYSS SG 1 1 372 1 1 1 1 42 CYS C . 42 CYSS C 1 1 372 1 2 1 1 42 CYS SG . 42 CYSS SG 1 1 373 1 1 1 1 45 PRO HG2 . 45 PRO HG2 1 1 373 1 2 1 1 48 GLU HB2 . 48 GLU HB2 1 1 374 1 1 1 1 45 PRO HG2 . 45 PRO HG2 1 1 374 1 2 1 1 48 GLU HG2 . 48 GLU HG2 1 1 375 1 1 1 1 45 PRO HG2 . 45 PRO HG2 1 1 375 1 2 1 1 48 GLU HG3 . 48 GLU HG3 1 1 376 1 1 1 1 45 PRO HG3 . 45 PRO HG3 1 1 376 1 2 1 1 48 GLU H . 48 GLU HN 1 1 377 1 1 1 1 45 PRO HG3 . 45 PRO HG3 1 1 377 1 2 1 1 48 GLU HG2 . 48 GLU HG2 1 1 378 1 1 1 1 46 LYS H . 46 LYS HN 1 1 378 1 2 1 1 46 LYS HB2 . 46 LYS HB2 1 1 379 1 1 1 1 46 LYS H . 46 LYS HN 1 1 379 1 2 1 1 46 LYS HB3 . 46 LYS HB3 1 1 380 1 1 1 1 46 LYS H . 46 LYS HN 1 1 380 1 2 1 1 47 SER H . 47 SER HN 1 1 381 1 1 1 1 46 LYS HA . 46 LYS HA 1 1 381 1 2 1 1 48 GLU H . 48 GLU HN 1 1 382 1 1 1 1 46 LYS HA . 46 LYS HA 1 1 382 1 2 1 1 49 PHE H . 49 PHE HN 1 1 383 1 1 1 1 46 LYS HA . 46 LYS HA 1 1 383 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 384 1 1 1 1 46 LYS HB2 . 46 LYS HB2 1 1 384 1 2 1 1 46 LYS QE . 46 LYS QE 1 1 385 1 1 1 1 46 LYS HB2 . 46 LYS HB2 1 1 385 1 2 1 1 47 SER H . 47 SER HN 1 1 386 1 1 1 1 47 SER H . 47 SER HN 1 1 386 1 2 1 1 47 SER HB2 . 47 SER HB2 1 1 387 1 1 1 1 47 SER H . 47 SER HN 1 1 387 1 2 1 1 48 GLU H . 48 GLU HN 1 1 388 1 1 1 1 48 GLU H . 48 GLU HN 1 1 388 1 2 1 1 48 GLU HB2 . 48 GLU HB2 1 1 389 1 1 1 1 48 GLU H . 48 GLU HN 1 1 389 1 2 1 1 48 GLU HB3 . 48 GLU HB3 1 1 390 1 1 1 1 48 GLU H . 48 GLU HN 1 1 390 1 2 1 1 48 GLU HG2 . 48 GLU HG2 1 1 391 1 1 1 1 48 GLU H . 48 GLU HN 1 1 391 1 2 1 1 48 GLU HG3 . 48 GLU HG3 1 1 392 1 1 1 1 48 GLU H . 48 GLU HN 1 1 392 1 2 1 1 49 PHE H . 49 PHE HN 1 1 393 1 1 1 1 48 GLU H . 48 GLU HN 1 1 393 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 394 1 1 1 1 48 GLU HA . 48 GLU HA 1 1 394 1 2 1 1 48 GLU HB3 . 48 GLU HB3 1 1 395 1 1 1 1 48 GLU HA . 48 GLU HA 1 1 395 1 2 1 1 48 GLU HG3 . 48 GLU HG3 1 1 396 1 1 1 1 48 GLU HA . 48 GLU HA 1 1 396 1 2 1 1 49 PHE H . 49 PHE HN 1 1 397 1 1 1 1 48 GLU HB2 . 48 GLU HB2 1 1 397 1 2 1 1 49 PHE QD . 49 PHE QD 1 1 398 1 1 1 1 49 PHE H . 49 PHE HN 1 1 398 1 2 1 1 49 PHE HB2 . 49 PHE HB2 1 1 399 1 1 1 1 49 PHE H . 49 PHE HN 1 1 399 1 2 1 1 49 PHE HB3 . 49 PHE HB3 1 1 400 1 1 1 1 49 PHE H . 49 PHE HN 1 1 400 1 2 1 1 50 GLU H . 50 GLU HN 1 1 401 1 1 1 1 49 PHE HA . 49 PHE HA 1 1 401 1 2 1 1 50 GLU H . 50 GLU HN 1 1 402 1 1 1 1 49 PHE HB3 . 49 PHE HB3 1 1 402 1 2 1 1 50 GLU H . 50 GLU HN 1 1 403 1 1 1 1 49 PHE QD . 49 PHE QD 1 1 403 1 2 1 1 50 GLU H . 50 GLU HN 1 1 404 1 1 1 1 50 GLU H . 50 GLU HN 1 1 404 1 2 1 1 50 GLU HB2 . 50 GLU HB2 1 1 405 1 1 1 1 50 GLU H . 50 GLU HN 1 1 405 1 2 1 1 50 GLU HG2 . 50 GLU HG2 1 1 406 1 1 1 1 50 GLU H . 50 GLU HN 1 1 406 1 2 1 1 50 GLU HG3 . 50 GLU HG3 1 1 407 1 1 1 1 50 GLU H . 50 GLU HN 1 1 407 1 2 1 1 51 ALA H . 51 ALA HN 1 1 408 1 1 1 1 50 GLU HA . 50 GLU HA 1 1 408 1 2 1 1 51 ALA H . 51 ALA HN 1 1 409 1 1 1 1 50 GLU HG2 . 50 GLU HG2 1 1 409 1 2 1 1 51 ALA H . 51 ALA HN 1 1 410 1 1 1 1 50 GLU HG3 . 50 GLU HG3 1 1 410 1 2 1 1 51 ALA H . 51 ALA HN 1 1 411 1 1 1 1 51 ALA HA . 51 ALA HA 1 1 411 1 2 1 1 52 ALA H . 52 ALA HN 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 3.02 1 1 2 1 . . . . . . . 3.89 1 1 3 1 . . . . . . . 7.64 1 1 4 1 . . . . . . . 7.32 1 1 5 1 . . . . . . . 8.51 1 1 6 1 . . . . . . . 7.4 1 1 7 1 . . . . . . . 7.4 1 1 8 1 . . . . . . . 7.63 1 1 9 1 . . . . . . . 7.64 1 1 10 1 . . . . . . . 4.08 1 1 11 1 . . . . . . . 5.5 1 1 12 1 . . . . . . . 4.35 1 1 13 1 . . . . . . . 5.5 1 1 14 1 . . . . . . . 4.26 1 1 15 1 . . . . . . . 2.71 1 1 16 1 . . . . . . . 5.31 1 1 17 1 . . . . . . . 3.86 1 1 18 1 . . . . . . . 4.24 1 1 19 1 . . . . . . . 4.23 1 1 20 1 . . . . . . . 6.38 1 1 21 1 . . . . . . . 3.02 1 1 22 1 . . . . . . . 3.49 1 1 23 1 . . . . . . . 3.24 1 1 24 1 . . . . . . . 2.74 1 1 25 1 . . . . . . . 2.65 1 1 26 1 . . . . . . . 6.4 1 1 27 1 . . . . . . . 6.5 1 1 28 1 . . . . . . . 7.62 1 1 29 1 . . . . . . . 5.5 1 1 30 1 . . . . . . . 2.71 1 1 31 1 . . . . . . . 6.16 1 1 32 1 . . . . . . . 2.99 1 1 33 1 . . . . . . . 2.52 1 1 34 1 . . . . . . . 6.82 1 1 35 1 . . . . . . . 7.62 1 1 36 1 . . . . . . . 6.78 1 1 37 1 . . . . . . . 3.11 1 1 38 1 . . . . . . . 7.62 1 1 39 1 . . . . . . . 6.44 1 1 40 1 . . . . . . . 6.44 1 1 41 1 . . . . . . . 5.5 1 1 42 1 . . . . . . . 7.64 1 1 43 1 . . . . . . . 8.64 1 1 44 1 . . . . . . . 7.64 1 1 45 1 . . . . . . . 6.12 1 1 46 1 . . . . . . . 7.11 1 1 47 1 . . . . . . . 6.28 1 1 48 1 . . . . . . . 9.76 1 1 49 1 . . . . . . . 7.64 1 1 50 1 . . . . . . . 6.83 1 1 51 1 . . . . . . . 7.14 1 1 52 1 . . . . . . . 6.49 1 1 53 1 . . . . . . . 8.14 1 1 54 1 . . . . . . . 7.64 1 1 55 1 . . . . . . . 7.51 1 1 56 1 . . . . . . . 6.14 1 1 57 1 . . . . . . . 7.63 1 1 58 1 . . . . . . . 7.14 1 1 59 1 . . . . . . . 7.01 1 1 60 1 . . . . . . . 7.2 1 1 61 1 . . . . . . . 3.05 1 1 62 1 . . . . . . . 4.54 1 1 63 1 . . . . . . . 4.57 1 1 64 1 . . . . . . . 4.26 1 1 65 1 . . . . . . . 5.76 1 1 66 1 . . . . . . . 2.83 1 1 67 1 . . . . . . . 3.7 1 1 68 1 . . . . . . . 6.53 1 1 69 1 . . . . . . . 3.92 1 1 70 1 . . . . . . . 5.91 1 1 71 1 . . . . . . . 2.96 1 1 72 1 . . . . . . . 2.99 1 1 73 1 . . . . . . . 2.9 1 1 74 1 . . . . . . . 6.16 1 1 75 1 . . . . . . . 3.3 1 1 76 1 . . . . . . . 7.53 1 1 77 1 . . . . . . . 5.5 1 1 78 1 . . . . . . . 6.53 1 1 79 1 . . . . . . . 6.53 1 1 80 1 . . . . . . . 6.53 1 1 81 1 . . . . . . . 6.22 1 1 82 1 . . . . . . . 6.53 1 1 83 1 . . . . . . . 6.53 1 1 84 1 . . . . . . . 6.53 1 1 85 1 . . . . . . . 3.1 1 1 86 1 . . . . . . . 4.0 1 1 87 1 . . . . . . . 4.0 1 1 88 1 . . . . . . . 4.0 1 1 89 1 . . . . . . . 5.26 1 1 90 1 . . . . . . . 4.36 1 1 91 1 . . . . . . . 5.44 1 1 92 1 . . . . . . . 6.19 1 1 93 1 . . . . . . . 3.1 1 1 94 1 . . . . . . . 4.0 1 1 95 1 . . . . . . . 4.0 1 1 96 1 . . . . . . . 2.71 1 1 97 1 . . . . . . . 5.07 1 1 98 1 . . . . . . . 5.31 1 1 99 1 . . . . . . . 3.8 1 1 100 1 . . . . . . . 2.68 1 1 101 1 . . . . . . . 5.5 1 1 102 1 . . . . . . . 4.88 1 1 103 1 . . . . . . . 3.36 1 1 104 1 . . . . . . . 7.62 1 1 105 1 . . . . . . . 2.87 1 1 106 1 . . . . . . . 5.58 1 1 107 1 . . . . . . . 7.64 1 1 108 1 . . . . . . . 9.02 1 1 109 1 . . . . . . . 7.63 1 1 110 1 . . . . . . . 6.58 1 1 111 1 . . . . . . . 7.63 1 1 112 1 . . . . . . . 8.66 1 1 113 1 . . . . . . . 8.29 1 1 114 1 . . . . . . . 3.39 1 1 115 1 . . . . . . . 5.5 1 1 116 1 . . . . . . . 4.88 1 1 117 1 . . . . . . . 5.5 1 1 118 1 . . . . . . . 5.5 1 1 119 1 . . . . . . . 5.0 1 1 120 1 . . . . . . . 5.5 1 1 121 1 . . . . . . . 4.76 1 1 122 1 . . . . . . . 4.57 1 1 123 1 . . . . . . . 2.99 1 1 124 1 . . . . . . . 4.67 1 1 125 1 . . . . . . . 6.53 1 1 126 1 . . . . . . . 5.07 1 1 127 1 . . . . . . . 3.33 1 1 128 1 . . . . . . . 3.4 1 1 129 1 . . . . . . . 4.45 1 1 130 1 . . . . . . . 6.38 1 1 131 1 . . . . . . . 3.33 1 1 132 1 . . . . . . . 3.7 1 1 133 1 . . . . . . . 3.86 1 1 134 1 . . . . . . . 5.29 1 1 135 1 . . . . . . . 4.48 1 1 136 1 . . . . . . . 5.04 1 1 137 1 . . . . . . . 4.6 1 1 138 1 . . . . . . . 4.45 1 1 139 1 . . . . . . . 5.07 1 1 140 1 . . . . . . . 4.17 1 1 141 1 . . . . . . . 5.5 1 1 142 1 . . . . . . . 4.04 1 1 143 1 . . . . . . . 3.64 1 1 144 1 . . . . . . . 2.4 1 1 145 1 . . . . . . . 3.21 1 1 146 1 . . . . . . . 4.97 1 1 147 1 . . . . . . . 4.3 1 1 148 1 . . . . . . . 6.53 1 1 149 1 . . . . . . . 4.11 1 1 150 1 . . . . . . . 3.24 1 1 151 1 . . . . . . . 4.77 1 1 152 1 . . . . . . . 2.49 1 1 153 1 . . . . . . . 3.12 1 1 154 1 . . . . . . . 2.87 1 1 155 1 . . . . . . . 4.02 1 1 156 1 . . . . . . . 5.32 1 1 157 1 . . . . . . . 3.95 1 1 158 1 . . . . . . . 3.24 1 1 159 1 . . . . . . . 5.19 1 1 160 1 . . . . . . . 4.98 1 1 161 1 . . . . . . . 3.76 1 1 162 1 . . . . . . . 2.87 1 1 163 1 . . . . . . . 4.57 1 1 164 1 . . . . . . . 3.11 1 1 165 1 . . . . . . . 3.36 1 1 166 1 . . . . . . . 5.29 1 1 167 1 . . . . . . . 3.21 1 1 168 1 . . . . . . . 2.8 1 1 169 1 . . . . . . . 4.3 1 1 170 1 . . . . . . . 5.57 1 1 171 1 . . . . . . . 6.53 1 1 172 1 . . . . . . . 3.92 1 1 173 1 . . . . . . . 6.53 1 1 174 1 . . . . . . . 5.32 1 1 175 1 . . . . . . . 4.32 1 1 176 1 . . . . . . . 2.74 1 1 177 1 . . . . . . . 5.29 1 1 178 1 . . . . . . . 4.36 1 1 179 1 . . . . . . . 3.55 1 1 180 1 . . . . . . . 3.8 1 1 181 1 . . . . . . . 2.99 1 1 182 1 . . . . . . . 3.18 1 1 183 1 . . . . . . . 3.43 1 1 184 1 . . . . . . . 3.8 1 1 185 1 . . . . . . . 2.9 1 1 186 1 . . . . . . . 5.5 1 1 187 1 . . . . . . . 3.8 1 1 188 1 . . . . . . . 5.5 1 1 189 1 . . . . . . . 3.89 1 1 190 1 . . . . . . . 5.5 1 1 191 1 . . . . . . . 5.13 1 1 192 1 . . . . . . . 3.39 1 1 193 1 . . . . . . . 2.87 1 1 194 1 . . . . . . . 2.99 1 1 195 1 . . . . . . . 4.01 1 1 196 1 . . . . . . . 4.66 1 1 197 1 . . . . . . . 5.04 1 1 198 1 . . . . . . . 5.5 1 1 199 1 . . . . . . . 5.5 1 1 200 1 . . . . . . . 5.1 1 1 201 1 . . . . . . . 4.14 1 1 202 1 . . . . . . . 5.13 1 1 203 1 . . . . . . . 4.97 1 1 204 1 . . . . . . . 4.04 1 1 205 1 . . . . . . . 5.19 1 1 206 1 . . . . . . . 2.93 1 1 207 1 . . . . . . . 3.45 1 1 208 1 . . . . . . . 2.65 1 1 209 1 . . . . . . . 3.92 1 1 210 1 . . . . . . . 2.65 1 1 211 1 . . . . . . . 4.35 1 1 212 1 . . . . . . . 6.09 1 1 213 1 . . . . . . . 5.5 1 1 214 1 . . . . . . . 5.5 1 1 215 1 . . . . . . . 4.85 1 1 216 1 . . . . . . . 6.53 1 1 217 1 . . . . . . . 3.89 1 1 218 1 . . . . . . . 4.73 1 1 219 1 . . . . . . . 7.56 1 1 220 1 . . . . . . . 5.35 1 1 221 1 . . . . . . . 6.43 1 1 222 1 . . . . . . . 5.7 1 1 223 1 . . . . . . . 5.35 1 1 224 1 . . . . . . . 3.86 1 1 225 1 . . . . . . . 4.39 1 1 226 1 . . . . . . . 5.02 1 1 227 1 . . . . . . . 5.41 1 1 228 1 . . . . . . . 3.98 1 1 229 1 . . . . . . . 3.64 1 1 230 1 . . . . . . . 6.38 1 1 231 1 . . . . . . . 6.38 1 1 232 1 . . . . . . . 6.38 1 1 233 1 . . . . . . . 6.38 1 1 234 1 . . . . . . . 6.38 1 1 235 1 . . . . . . . 2.65 1 1 236 1 . . . . . . . 3.8 1 1 237 1 . . . . . . . 3.76 1 1 238 1 . . . . . . . 3.58 1 1 239 1 . . . . . . . 2.99 1 1 240 1 . . . . . . . 3.42 1 1 241 1 . . . . . . . 2.9 1 1 242 1 . . . . . . . 5.04 1 1 243 1 . . . . . . . 5.81 1 1 244 1 . . . . . . . 4.79 1 1 245 1 . . . . . . . 6.53 1 1 246 1 . . . . . . . 8.65 1 1 247 1 . . . . . . . 4.92 1 1 248 1 . . . . . . . 3.8 1 1 249 1 . . . . . . . 4.02 1 1 250 1 . . . . . . . 2.83 1 1 251 1 . . . . . . . 3.11 1 1 252 1 . . . . . . . 4.57 1 1 253 1 . . . . . . . 3.73 1 1 254 1 . . . . . . . 3.61 1 1 255 1 . . . . . . . 4.94 1 1 256 1 . . . . . . . 2.96 1 1 257 1 . . . . . . . 2.99 1 1 258 1 . . . . . . . 3.55 1 1 259 1 . . . . . . . 6.53 1 1 260 1 . . . . . . . 3.02 1 1 261 1 . . . . . . . 3.8 1 1 262 1 . . . . . . . 3.55 1 1 263 1 . . . . . . . 5.23 1 1 264 1 . . . . . . . 2.83 1 1 265 1 . . . . . . . 3.95 1 1 266 1 . . . . . . . 3.39 1 1 267 1 . . . . . . . 7.62 1 1 268 1 . . . . . . . 7.62 1 1 269 1 . . . . . . . 6.54 1 1 270 1 . . . . . . . 8.65 1 1 271 1 . . . . . . . 7.62 1 1 272 1 . . . . . . . 9.74 1 1 273 1 . . . . . . . 7.41 1 1 274 1 . . . . . . . 7.62 1 1 275 1 . . . . . . . 6.38 1 1 276 1 . . . . . . . 7.56 1 1 277 1 . . . . . . . 7.75 1 1 278 1 . . . . . . . 7.19 1 1 279 1 . . . . . . . 9.0 1 1 280 1 . . . . . . . 9.0 1 1 281 1 . . . . . . . 9.0 1 1 282 1 . . . . . . . 7.62 1 1 283 1 . . . . . . . 7.62 1 1 284 1 . . . . . . . 9.59 1 1 285 1 . . . . . . . 3.73 1 1 286 1 . . . . . . . 3.52 1 1 287 1 . . . . . . . 5.11 1 1 288 1 . . . . . . . 4.11 1 1 289 1 . . . . . . . 3.52 1 1 290 1 . . . . . . . 7.47 1 1 291 1 . . . . . . . 4.11 1 1 292 1 . . . . . . . 3.49 1 1 293 1 . . . . . . . 3.3 1 1 294 1 . . . . . . . 4.57 1 1 295 1 . . . . . . . 5.5 1 1 296 1 . . . . . . . 3.15 1 1 297 1 . . . . . . . 3.24 1 1 298 1 . . . . . . . 2.74 1 1 299 1 . . . . . . . 4.33 1 1 300 1 . . . . . . . 2.77 1 1 301 1 . . . . . . . 3.3 1 1 302 1 . . . . . . . 5.23 1 1 303 1 . . . . . . . 5.75 1 1 304 1 . . . . . . . 2.87 1 1 305 1 . . . . . . . 6.88 1 1 306 1 . . . . . . . 3.61 1 1 307 1 . . . . . . . 3.18 1 1 308 1 . . . . . . . 3.42 1 1 309 1 . . . . . . . 4.26 1 1 310 1 . . . . . . . 5.67 1 1 311 1 . . . . . . . 3.49 1 1 312 1 . . . . . . . 4.69 1 1 313 1 . . . . . . . 5.16 1 1 314 1 . . . . . . . 5.5 1 1 315 1 . . . . . . . 6.72 1 1 316 1 . . . . . . . 6.53 1 1 317 1 . . . . . . . 6.53 1 1 318 1 . . . . . . . 6.53 1 1 319 1 . . . . . . . 4.7 1 1 320 1 . . . . . . . 6.53 1 1 321 1 . . . . . . . 6.53 1 1 322 1 . . . . . . . 5.81 1 1 323 1 . . . . . . . 5.82 1 1 324 1 . . . . . . . 7.03 1 1 325 1 . . . . . . . 7.9 1 1 326 1 . . . . . . . 7.9 1 1 327 1 . . . . . . . 4.57 1 1 328 1 . . . . . . . 5.13 1 1 329 1 . . . . . . . 5.88 1 1 330 1 . . . . . . . 6.53 1 1 331 1 . . . . . . . 3.11 1 1 332 1 . . . . . . . 3.27 1 1 333 1 . . . . . . . 5.5 1 1 334 1 . . . . . . . 6.38 1 1 335 1 . . . . . . . 6.38 1 1 336 1 . . . . . . . 3.74 1 1 337 1 . . . . . . . 3.8 1 1 338 1 . . . . . . . 3.02 1 1 339 1 . . . . . . . 2.9 1 1 340 1 . . . . . . . 2.71 1 1 341 1 . . . . . . . 3.42 1 1 342 1 . . . . . . . 4.01 1 1 343 1 . . . . . . . 5.04 1 1 344 1 . . . . . . . 4.07 1 1 345 1 . . . . . . . 5.5 1 1 346 1 . . . . . . . 5.5 1 1 347 1 . . . . . . . 6.0 1 1 348 1 . . . . . . . 6.88 1 1 349 1 . . . . . . . 7.62 1 1 350 1 . . . . . . . 4.11 1 1 351 1 . . . . . . . 4.45 1 1 352 1 . . . . . . . 3.68 1 1 353 1 . . . . . . . 2.62 1 1 354 1 . . . . . . . 3.71 1 1 355 1 . . . . . . . 3.27 1 1 356 1 . . . . . . . 3.42 1 1 357 1 . . . . . . . 3.67 1 1 358 1 . . . . . . . 3.49 1 1 359 1 . . . . . . . 3.7 1 1 360 1 . . . . . . . 5.5 1 1 361 1 . . . . . . . 2.74 1 1 362 1 . . . . . . . 6.53 1 1 363 1 . . . . . . . 6.53 1 1 364 1 . . . . . . . 6.53 1 1 365 1 . . . . . . . 6.43 1 1 366 1 . . . . . . . 6.53 1 1 367 1 . . . . . . . 4.95 1 1 368 1 . . . . . . . 5.54 1 1 369 1 . . . . . . . 5.66 1 1 370 1 . . . . . . . 3.1 1 1 371 1 . . . . . . . 4.0 1 1 372 1 . . . . . . . 3.1 1 1 373 1 . . . . . . . 5.5 1 1 374 1 . . . . . . . 4.23 1 1 375 1 . . . . . . . 3.89 1 1 376 1 . . . . . . . 5.19 1 1 377 1 . . . . . . . 4.69 1 1 378 1 . . . . . . . 3.93 1 1 379 1 . . . . . . . 3.87 1 1 380 1 . . . . . . . 3.42 1 1 381 1 . . . . . . . 3.95 1 1 382 1 . . . . . . . 4.29 1 1 383 1 . . . . . . . 6.1 1 1 384 1 . . . . . . . 4.31 1 1 385 1 . . . . . . . 4.7 1 1 386 1 . . . . . . . 3.77 1 1 387 1 . . . . . . . 3.18 1 1 388 1 . . . . . . . 3.11 1 1 389 1 . . . . . . . 3.58 1 1 390 1 . . . . . . . 4.48 1 1 391 1 . . . . . . . 3.7 1 1 392 1 . . . . . . . 2.8 1 1 393 1 . . . . . . . 6.66 1 1 394 1 . . . . . . . 2.96 1 1 395 1 . . . . . . . 3.21 1 1 396 1 . . . . . . . 3.33 1 1 397 1 . . . . . . . 7.62 1 1 398 1 . . . . . . . 3.55 1 1 399 1 . . . . . . . 3.3 1 1 400 1 . . . . . . . 4.17 1 1 401 1 . . . . . . . 2.4 1 1 402 1 . . . . . . . 3.39 1 1 403 1 . . . . . . . 6.35 1 1 404 1 . . . . . . . 4.02 1 1 405 1 . . . . . . . 4.26 1 1 406 1 . . . . . . . 4.48 1 1 407 1 . . . . . . . 4.48 1 1 408 1 . . . . . . . 2.74 1 1 409 1 . . . . . . . 4.7 1 1 410 1 . . . . . . . 3.8 1 1 411 1 . . . . . . . 2.59 1 1 stop_ save_ save_DYANA/DIANA_dipolar_coupling_4 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID 1 _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID . _RDC_constraint_list.Block_ID . loop_ _RDC_constraint.ID _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 1 1 2 LYS HA 1 1 2 LYS CA 0.17 . . 1.0 . . . . . . . . 1 1 2 1 1 3 LYS H 1 1 3 LYS N 0.22 . . 1.0 . . . . . . . . 1 1 3 1 1 3 LYS HA 1 1 3 LYS CA 0.32 . . 1.0 . . . . . . . . 1 1 4 1 1 4 TYR H 1 1 4 TYR N 0.57 . . 1.0 . . . . . . . . 1 1 5 1 1 4 TYR HA 1 1 4 TYR CA 0.77 . . 1.0 . . . . . . . . 1 1 6 1 1 12 GLU HA 1 1 12 GLU CA 0.46 . . 1.0 . . . . . . . . 1 1 7 1 1 13 TYR H 1 1 13 TYR N 0.8 . . 1.0 . . . . . . . . 1 1 8 1 1 13 TYR HA 1 1 13 TYR CA 0.04 . . 1.0 . . . . . . . . 1 1 9 1 1 14 ASP H 1 1 14 ASP N -0.11 . . 1.0 . . . . . . . . 1 1 10 1 1 14 ASP HA 1 1 14 ASP CA 0.08 . . 1.0 . . . . . . . . 1 1 11 1 1 15 PRO HA 1 1 15 PRO CA 0.14 . . 1.0 . . . . . . . . 1 1 12 1 1 16 ALA H 1 1 16 ALA N 0.01 . . 1.0 . . . . . . . . 1 1 13 1 1 16 ALA HA 1 1 16 ALA CA -0.0 . . 1.0 . . . . . . . . 1 1 14 1 1 17 GLU H 1 1 17 GLU N -0.08 . . 1.0 . . . . . . . . 1 1 15 1 1 17 GLU HA 1 1 17 GLU CA -0.14 . . 1.0 . . . . . . . . 1 1 16 1 1 18 GLY H 1 1 18 GLY N -0.05 . . 1.0 . . . . . . . . 1 1 17 1 1 18 GLY HA2 1 1 18 GLY CA 0.07 . . 1.0 . . . . . . . . 1 1 18 1 1 18 GLY HA3 1 1 18 GLY CA -0.02 . . 1.0 . . . . . . . . 1 1 19 1 1 19 ASP H 1 1 19 ASP N -0.03 . . 1.0 . . . . . . . . 1 1 20 1 1 19 ASP HA 1 1 19 ASP CA -0.28 . . 1.0 . . . . . . . . 1 1 21 1 1 21 ASP H 1 1 21 ASP N -0.23 . . 1.0 . . . . . . . . 1 1 22 1 1 21 ASP HA 1 1 21 ASP CA -0.16 . . 1.0 . . . . . . . . 1 1 23 1 1 22 ASN H 1 1 22 ASN N -0.08 . . 1.0 . . . . . . . . 1 1 24 1 1 22 ASN HA 1 1 22 ASN CA 0.02 . . 1.0 . . . . . . . . 1 1 25 1 1 23 GLY H 1 1 23 GLY N 0.0 . . 1.0 . . . . . . . . 1 1 26 1 1 23 GLY HA2 1 1 23 GLY CA 0.06 . . 1.0 . . . . . . . . 1 1 27 1 1 23 GLY HA3 1 1 23 GLY CA 0.02 . . 1.0 . . . . . . . . 1 1 28 1 1 24 VAL H 1 1 24 VAL N 0.03 . . 1.0 . . . . . . . . 1 1 29 1 1 24 VAL HA 1 1 24 VAL CA 0.11 . . 1.0 . . . . . . . . 1 1 30 1 1 25 LYS H 1 1 25 LYS N 0.08 . . 1.0 . . . . . . . . 1 1 31 1 1 25 LYS HA 1 1 25 LYS CA -0.0 . . 1.0 . . . . . . . . 1 1 32 1 1 26 PRO HA 1 1 26 PRO CA -0.01 . . 1.0 . . . . . . . . 1 1 33 1 1 27 GLY H 1 1 27 GLY N 0.04 . . 1.0 . . . . . . . . 1 1 34 1 1 27 GLY HA2 1 1 27 GLY CA 0.04 . . 1.0 . . . . . . . . 1 1 35 1 1 27 GLY HA3 1 1 27 GLY CA 0.05 . . 1.0 . . . . . . . . 1 1 36 1 1 28 THR H 1 1 28 THR N 0.09 . . 1.0 . . . . . . . . 1 1 37 1 1 28 THR HA 1 1 28 THR CA 0.13 . . 1.0 . . . . . . . . 1 1 38 1 1 29 SER H 1 1 29 SER N 0.19 . . 1.0 . . . . . . . . 1 1 39 1 1 29 SER HA 1 1 29 SER CA 0.19 . . 1.0 . . . . . . . . 1 1 40 1 1 30 PHE H 1 1 30 PHE N 0.33 . . 1.0 . . . . . . . . 1 1 41 1 1 30 PHE HA 1 1 30 PHE CA 0.52 . . 1.0 . . . . . . . . 1 1 42 1 1 31 ASP H 1 1 31 ASP N 0.32 . . 1.0 . . . . . . . . 1 1 43 1 1 31 ASP HA 1 1 31 ASP CA 0.3 . . 1.0 . . . . . . . . 1 1 44 1 1 32 ASP H 1 1 32 ASP N 0.25 . . 1.0 . . . . . . . . 1 1 45 1 1 32 ASP HA 1 1 32 ASP CA 0.19 . . 1.0 . . . . . . . . 1 1 46 1 1 33 LEU H 1 1 33 LEU N 0.38 . . 1.0 . . . . . . . . 1 1 47 1 1 33 LEU HA 1 1 33 LEU CA 0.35 . . 1.0 . . . . . . . . 1 1 48 1 1 34 PRO HA 1 1 34 PRO CA 0.25 . . 1.0 . . . . . . . . 1 1 49 1 1 35 ALA H 1 1 35 ALA N 0.03 . . 1.0 . . . . . . . . 1 1 50 1 1 35 ALA HA 1 1 35 ALA CA 0.28 . . 1.0 . . . . . . . . 1 1 51 1 1 36 ASP H 1 1 36 ASP N 0.28 . . 1.0 . . . . . . . . 1 1 52 1 1 36 ASP HA 1 1 36 ASP CA 0.3 . . 1.0 . . . . . . . . 1 1 53 1 1 37 TRP H 1 1 37 TRP N 0.54 . . 1.0 . . . . . . . . 1 1 54 1 1 37 TRP HA 1 1 37 TRP CA 0.7 . . 1.0 . . . . . . . . 1 1 55 1 1 46 LYS H 1 1 46 LYS N 0.67 . . 1.0 . . . . . . . . 1 1 56 1 1 46 LYS HA 1 1 46 LYS CA 1.33 . . 1.0 . . . . . . . . 1 1 57 1 1 47 SER H 1 1 47 SER N 0.01 . . 1.0 . . . . . . . . 1 1 58 1 1 47 SER HA 1 1 47 SER CA -0.01 . . 1.0 . . . . . . . . 1 1 59 1 1 48 GLU H 1 1 48 GLU N -0.59 . . 1.0 . . . . . . . . 1 1 60 1 1 49 PHE H 1 1 49 PHE N 0.35 . . 1.0 . . . . . . . . 1 1 61 1 1 49 PHE HA 1 1 49 PHE CA 1.46 . . 1.0 . . . . . . . . 1 1 62 1 1 50 GLU H 1 1 50 GLU N 1.05 . . 1.0 . . . . . . . . 1 1 63 1 1 51 ALA H 1 1 51 ALA N 0.36 . . 1.0 . . . . . . . . 1 1 64 1 1 51 ALA HA 1 1 51 ALA CA 0.53 . . 1.0 . . . . . . . . 1 1 65 1 1 52 ALA H 1 1 52 ALA N 0.41 . . 1.0 . . . . . . . . 1 1 66 1 1 52 ALA HA 1 1 52 ALA CA 0.34 . . 1.0 . . . . . . . . 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 MET C C -2.990 -10.360 3.958 1.00 . A A . 1 MET C 1 1 1 2 1 1 1 MET CA C -2.196 -11.082 5.048 1.00 . A A . 1 MET CA 1 1 1 3 1 1 1 MET CB C -2.792 -12.473 5.278 1.00 . A A . 1 MET CB 1 1 1 4 1 1 1 MET CE C -0.853 -15.662 3.512 1.00 . A A . 1 MET CE 1 1 1 5 1 1 1 MET CG C -2.313 -13.458 4.210 1.00 . A A . 1 MET CG 1 1 1 6 1 1 1 MET H1 H -1.612 -10.680 7.007 1.00 . A A . 1 MET H1 1 1 1 7 1 1 1 MET HA H -1.145 -11.143 4.763 1.00 . A A . 1 MET HA 1 1 1 8 1 1 1 MET HB2 H -2.507 -12.835 6.266 1.00 . A A . 1 MET HB2 1 1 1 9 1 1 1 MET HB3 H -3.880 -12.413 5.262 1.00 . A A . 1 MET HB3 1 1 1 10 1 1 1 MET HE1 H -1.181 -15.126 2.622 1.00 . A A . 1 MET HE1 1 1 1 11 1 1 1 MET HE2 H 0.234 -15.747 3.505 1.00 . A A . 1 MET HE2 1 1 1 12 1 1 1 MET HE3 H -1.295 -16.659 3.521 1.00 . A A . 1 MET HE3 1 1 1 13 1 1 1 MET HG2 H -3.168 -13.875 3.679 1.00 . A A . 1 MET HG2 1 1 1 14 1 1 1 MET HG3 H -1.701 -12.939 3.473 1.00 . A A . 1 MET HG3 1 1 1 15 1 1 1 MET N N -2.219 -10.332 6.292 1.00 . A A . 1 MET N 1 1 1 16 1 1 1 MET O O -3.751 -10.986 3.222 1.00 . A A . 1 MET O 1 1 1 17 1 1 1 MET SD S -1.370 -14.770 4.969 1.00 . A A . 1 MET SD 1 1 1 18 1 1 2 LYS C C -2.441 -7.489 2.057 1.00 . A A . 2 LYS C 1 1 1 19 1 1 2 LYS CA C -3.473 -8.239 2.901 1.00 . A A . 2 LYS CA 1 1 1 20 1 1 2 LYS CB C -4.496 -7.325 3.578 1.00 . A A . 2 LYS CB 1 1 1 21 1 1 2 LYS CD C -5.936 -7.994 5.537 1.00 . A A . 2 LYS CD 1 1 1 22 1 1 2 LYS CE C -7.338 -8.461 5.935 1.00 . A A . 2 LYS CE 1 1 1 23 1 1 2 LYS CG C -5.727 -8.116 4.026 1.00 . A A . 2 LYS CG 1 1 1 24 1 1 2 LYS H H -2.165 -8.552 4.491 1.00 . A A . 2 LYS H 1 1 1 25 1 1 2 LYS HA H -4.027 -8.915 2.249 1.00 . A A . 2 LYS HA 1 1 1 26 1 1 2 LYS HB2 H -4.040 -6.837 4.439 1.00 . A A . 2 LYS HB2 1 1 1 27 1 1 2 LYS HB3 H -4.797 -6.536 2.888 1.00 . A A . 2 LYS HB3 1 1 1 28 1 1 2 LYS HD2 H -5.189 -8.590 6.060 1.00 . A A . 2 LYS HD2 1 1 1 29 1 1 2 LYS HD3 H -5.792 -6.959 5.845 1.00 . A A . 2 LYS HD3 1 1 1 30 1 1 2 LYS HE2 H -8.079 -7.739 5.591 1.00 . A A . 2 LYS HE2 1 1 1 31 1 1 2 LYS HE3 H -7.565 -9.408 5.446 1.00 . A A . 2 LYS HE3 1 1 1 32 1 1 2 LYS HG2 H -6.609 -7.749 3.502 1.00 . A A . 2 LYS HG2 1 1 1 33 1 1 2 LYS HG3 H -5.608 -9.164 3.755 1.00 . A A . 2 LYS HG3 1 1 1 34 1 1 2 LYS HZ1 H -6.653 -9.144 7.781 1.00 . A A . 2 LYS HZ1 1 1 1 35 1 1 2 LYS HZ3 H -8.278 -9.109 7.678 1.00 . A A . 2 LYS HZ3 1 1 1 36 1 1 2 LYS N N -2.786 -9.053 3.889 1.00 . A A . 2 LYS N 1 1 1 37 1 1 2 LYS NZ N -7.434 -8.618 7.403 1.00 . A A . 2 LYS NZ 1 1 1 38 1 1 2 LYS O O -2.785 -6.554 1.336 1.00 . A A . 2 LYS O 1 1 1 39 1 1 3 LYS C C -0.588 -6.990 0.013 1.00 . A A . 3 LYS C 1 1 1 40 1 1 3 LYS CA C -0.112 -7.309 1.431 1.00 . A A . 3 LYS CA 1 1 1 41 1 1 3 LYS CB C 1.139 -8.189 1.477 1.00 . A A . 3 LYS CB 1 1 1 42 1 1 3 LYS CD C 3.089 -8.938 2.889 1.00 . A A . 3 LYS CD 1 1 1 43 1 1 3 LYS CE C 3.657 -9.027 4.307 1.00 . A A . 3 LYS CE 1 1 1 44 1 1 3 LYS CG C 1.744 -8.210 2.882 1.00 . A A . 3 LYS CG 1 1 1 45 1 1 3 LYS H H -0.925 -8.689 2.763 1.00 . A A . 3 LYS H 1 1 1 46 1 1 3 LYS HA H 0.135 -6.372 1.932 1.00 . A A . 3 LYS HA 1 1 1 47 1 1 3 LYS HB2 H 0.886 -9.204 1.170 1.00 . A A . 3 LYS HB2 1 1 1 48 1 1 3 LYS HB3 H 1.877 -7.816 0.766 1.00 . A A . 3 LYS HB3 1 1 1 49 1 1 3 LYS HD2 H 2.967 -9.941 2.479 1.00 . A A . 3 LYS HD2 1 1 1 50 1 1 3 LYS HD3 H 3.794 -8.414 2.244 1.00 . A A . 3 LYS HD3 1 1 1 51 1 1 3 LYS HE2 H 4.171 -8.099 4.558 1.00 . A A . 3 LYS HE2 1 1 1 52 1 1 3 LYS HE3 H 2.845 -9.145 5.024 1.00 . A A . 3 LYS HE3 1 1 1 53 1 1 3 LYS HG2 H 1.876 -7.190 3.241 1.00 . A A . 3 LYS HG2 1 1 1 54 1 1 3 LYS HG3 H 1.056 -8.703 3.570 1.00 . A A . 3 LYS HG3 1 1 1 55 1 1 3 LYS HZ1 H 5.514 -9.939 4.055 1.00 . A A . 3 LYS HZ1 1 1 1 56 1 1 3 LYS HZ3 H 4.269 -10.979 3.908 1.00 . A A . 3 LYS HZ3 1 1 1 57 1 1 3 LYS N N -1.196 -7.927 2.174 1.00 . A A . 3 LYS N 1 1 1 58 1 1 3 LYS NZ N 4.595 -10.166 4.420 1.00 . A A . 3 LYS NZ 1 1 1 59 1 1 3 LYS O O -0.777 -7.894 -0.800 1.00 . A A . 3 LYS O 1 1 1 60 1 1 4 TYR C C -0.032 -4.902 -2.446 1.00 . A A . 4 TYR C 1 1 1 61 1 1 4 TYR CA C -1.219 -5.253 -1.547 1.00 . A A . 4 TYR CA 1 1 1 62 1 1 4 TYR CB C -2.045 -3.990 -1.297 1.00 . A A . 4 TYR CB 1 1 1 63 1 1 4 TYR CD1 C -2.156 -3.473 1.168 1.00 . A A . 4 TYR CD1 1 1 1 64 1 1 4 TYR CD2 C -4.061 -4.482 0.135 1.00 . A A . 4 TYR CD2 1 1 1 65 1 1 4 TYR CE1 C -2.846 -3.466 2.432 1.00 . A A . 4 TYR CE1 1 1 1 66 1 1 4 TYR CE2 C -4.751 -4.474 1.399 1.00 . A A . 4 TYR CE2 1 1 1 67 1 1 4 TYR CG C -2.778 -3.982 0.046 1.00 . A A . 4 TYR CG 1 1 1 68 1 1 4 TYR CZ C -4.109 -3.966 2.485 1.00 . A A . 4 TYR CZ 1 1 1 69 1 1 4 TYR H H -0.613 -4.974 0.426 1.00 . A A . 4 TYR H 1 1 1 70 1 1 4 TYR HA H -1.784 -6.064 -2.006 1.00 . A A . 4 TYR HA 1 1 1 71 1 1 4 TYR HB2 H -1.387 -3.122 -1.346 1.00 . A A . 4 TYR HB2 1 1 1 72 1 1 4 TYR HB3 H -2.776 -3.881 -2.099 1.00 . A A . 4 TYR HB3 1 1 1 73 1 1 4 TYR HD1 H -1.143 -3.078 1.098 1.00 . A A . 4 TYR HD1 1 1 1 74 1 1 4 TYR HD2 H -4.552 -4.884 -0.751 1.00 . A A . 4 TYR HD2 1 1 1 75 1 1 4 TYR HE1 H -2.366 -3.067 3.326 1.00 . A A . 4 TYR HE1 1 1 1 76 1 1 4 TYR HE2 H -5.764 -4.867 1.484 1.00 . A A . 4 TYR HE2 1 1 1 77 1 1 4 TYR HH H -5.740 -3.824 3.533 1.00 . A A . 4 TYR HH 1 1 1 78 1 1 4 TYR N N -0.768 -5.702 -0.241 1.00 . A A . 4 TYR N 1 1 1 79 1 1 4 TYR O O 1.110 -5.232 -2.129 1.00 . A A . 4 TYR O 1 1 1 80 1 1 4 TYR OH O -4.761 -3.959 3.679 1.00 . A A . 4 TYR OH 1 1 1 81 1 1 5 VAL C C 0.189 -2.636 -5.303 1.00 . A A . 5 VAL C 1 1 1 82 1 1 5 VAL CA C 0.685 -3.837 -4.496 1.00 . A A . 5 VAL CA 1 1 1 83 1 1 5 VAL CB C 1.078 -5.026 -5.375 1.00 . A A . 5 VAL CB 1 1 1 84 1 1 5 VAL CG1 C 1.895 -4.568 -6.585 1.00 . A A . 5 VAL CG1 1 1 1 85 1 1 5 VAL CG2 C 1.841 -6.077 -4.565 1.00 . A A . 5 VAL CG2 1 1 1 86 1 1 5 VAL H H -1.273 -3.972 -3.800 1.00 . A A . 5 VAL H 1 1 1 87 1 1 5 VAL HA H 1.562 -3.536 -3.923 1.00 . A A . 5 VAL HA 1 1 1 88 1 1 5 VAL HB H 0.162 -5.487 -5.744 1.00 . A A . 5 VAL HB 1 1 1 89 1 1 5 VAL HG11 H 2.869 -4.210 -6.251 1.00 . A A . 5 VAL HG11 1 1 1 90 1 1 5 VAL HG12 H 2.030 -5.404 -7.270 1.00 . A A . 5 VAL HG12 1 1 1 91 1 1 5 VAL HG13 H 1.367 -3.762 -7.095 1.00 . A A . 5 VAL HG13 1 1 1 92 1 1 5 VAL HG21 H 1.156 -6.572 -3.876 1.00 . A A . 5 VAL HG21 1 1 1 93 1 1 5 VAL HG22 H 2.271 -6.815 -5.242 1.00 . A A . 5 VAL HG22 1 1 1 94 1 1 5 VAL HG23 H 2.638 -5.594 -4.001 1.00 . A A . 5 VAL HG23 1 1 1 95 1 1 5 VAL N N -0.342 -4.237 -3.549 1.00 . A A . 5 VAL N 1 1 1 96 1 1 5 VAL O O -1.016 -2.435 -5.448 1.00 . A A . 5 VAL O 1 1 1 97 1 1 6 CYS C C 0.599 -1.130 -8.046 1.00 . A A . 6 CYS C 1 1 1 98 1 1 6 CYS CA C 0.819 -0.691 -6.597 1.00 . A A . 6 CYS CA 1 1 1 99 1 1 6 CYS CB C 1.903 0.383 -6.484 1.00 . A A . 6 CYS CB 1 1 1 100 1 1 6 CYS H H 2.121 -2.037 -5.685 1.00 . A A . 6 CYS H 1 1 1 101 1 1 6 CYS HA H -0.096 -0.275 -6.175 1.00 . A A . 6 CYS HA 1 1 1 102 1 1 6 CYS HB2 H 1.855 0.824 -5.488 1.00 . A A . 6 CYS HB2 1 1 1 103 1 1 6 CYS HB3 H 2.878 -0.095 -6.574 1.00 . A A . 6 CYS HB3 1 1 1 104 1 1 6 CYS N N 1.143 -1.867 -5.808 1.00 . A A . 6 CYS N 1 1 1 105 1 1 6 CYS O O 1.252 -2.057 -8.523 1.00 . A A . 6 CYS O 1 1 1 106 1 1 6 CYS SG S 1.788 1.722 -7.725 1.00 . A A . 6 CYS SG 1 1 1 107 1 1 7 THR C C -0.034 0.304 -11.020 1.00 . A A . 7 THR C 1 1 1 108 1 1 7 THR CA C -0.637 -0.751 -10.090 1.00 . A A . 7 THR CA 1 1 1 109 1 1 7 THR CB C -2.157 -0.874 -10.214 1.00 . A A . 7 THR CB 1 1 1 110 1 1 7 THR CG2 C -2.753 -1.834 -9.182 1.00 . A A . 7 THR CG2 1 1 1 111 1 1 7 THR H H -0.849 0.309 -8.309 1.00 . A A . 7 THR H 1 1 1 112 1 1 7 THR HA H -0.172 -1.704 -10.344 1.00 . A A . 7 THR HA 1 1 1 113 1 1 7 THR HB H -2.442 -1.163 -11.225 1.00 . A A . 7 THR HB 1 1 1 114 1 1 7 THR HG1 H -2.189 1.122 -10.350 1.00 . A A . 7 THR HG1 1 1 1 115 1 1 7 THR HG21 H -2.221 -2.784 -9.220 1.00 . A A . 7 THR HG21 1 1 1 116 1 1 7 THR HG22 H -2.655 -1.402 -8.186 1.00 . A A . 7 THR HG22 1 1 1 117 1 1 7 THR HG23 H -3.807 -1.998 -9.405 1.00 . A A . 7 THR HG23 1 1 1 118 1 1 7 THR N N -0.323 -0.444 -8.705 1.00 . A A . 7 THR N 1 1 1 119 1 1 7 THR O O -0.687 0.752 -11.961 1.00 . A A . 7 THR O 1 1 1 120 1 1 7 THR OG1 O -2.642 0.406 -9.819 1.00 . A A . 7 THR OG1 1 1 1 121 1 1 8 VAL C C 3.399 1.349 -11.526 1.00 . A A . 8 VAL C 1 1 1 122 1 1 8 VAL CA C 1.902 1.663 -11.522 1.00 . A A . 8 VAL CA 1 1 1 123 1 1 8 VAL CB C 1.587 3.067 -11.002 1.00 . A A . 8 VAL CB 1 1 1 124 1 1 8 VAL CG1 C 2.233 4.137 -11.886 1.00 . A A . 8 VAL CG1 1 1 1 125 1 1 8 VAL CG2 C 0.077 3.285 -10.892 1.00 . A A . 8 VAL CG2 1 1 1 126 1 1 8 VAL H H 1.728 0.300 -9.957 1.00 . A A . 8 VAL H 1 1 1 127 1 1 8 VAL HA H 1.526 1.589 -12.543 1.00 . A A . 8 VAL HA 1 1 1 128 1 1 8 VAL HB H 2.012 3.157 -10.003 1.00 . A A . 8 VAL HB 1 1 1 129 1 1 8 VAL HG11 H 2.664 3.666 -12.769 1.00 . A A . 8 VAL HG11 1 1 1 130 1 1 8 VAL HG12 H 1.477 4.860 -12.192 1.00 . A A . 8 VAL HG12 1 1 1 131 1 1 8 VAL HG13 H 3.017 4.646 -11.326 1.00 . A A . 8 VAL HG13 1 1 1 132 1 1 8 VAL HG21 H -0.307 2.742 -10.028 1.00 . A A . 8 VAL HG21 1 1 1 133 1 1 8 VAL HG22 H -0.129 4.349 -10.774 1.00 . A A . 8 VAL HG22 1 1 1 134 1 1 8 VAL HG23 H -0.410 2.919 -11.796 1.00 . A A . 8 VAL HG23 1 1 1 135 1 1 8 VAL N N 1.204 0.669 -10.724 1.00 . A A . 8 VAL N 1 1 1 136 1 1 8 VAL O O 4.042 1.382 -12.574 1.00 . A A . 8 VAL O 1 1 1 137 1 1 9 CYS C C 5.435 -0.664 -9.572 1.00 . A A . 9 CYS C 1 1 1 138 1 1 9 CYS CA C 5.321 0.730 -10.193 1.00 . A A . 9 CYS CA 1 1 1 139 1 1 9 CYS CB C 6.058 1.785 -9.367 1.00 . A A . 9 CYS CB 1 1 1 140 1 1 9 CYS H H 3.381 1.025 -9.493 1.00 . A A . 9 CYS H 1 1 1 141 1 1 9 CYS HA H 5.751 0.743 -11.195 1.00 . A A . 9 CYS HA 1 1 1 142 1 1 9 CYS HB2 H 7.125 1.707 -9.571 1.00 . A A . 9 CYS HB2 1 1 1 143 1 1 9 CYS HB3 H 5.741 2.774 -9.700 1.00 . A A . 9 CYS HB3 1 1 1 144 1 1 9 CYS N N 3.911 1.050 -10.341 1.00 . A A . 9 CYS N 1 1 1 145 1 1 9 CYS O O 6.151 -1.520 -10.087 1.00 . A A . 9 CYS O 1 1 1 146 1 1 9 CYS SG S 5.796 1.665 -7.559 1.00 . A A . 9 CYS SG 1 1 1 147 1 1 10 GLY C C 5.494 -2.017 -6.455 1.00 . A A . 10 GLY C 1 1 1 148 1 1 10 GLY CA C 4.728 -2.122 -7.776 1.00 . A A . 10 GLY CA 1 1 1 149 1 1 10 GLY H H 4.136 -0.145 -8.061 1.00 . A A . 10 GLY H 1 1 1 150 1 1 10 GLY HA2 H 3.705 -2.444 -7.583 1.00 . A A . 10 GLY HA2 1 1 1 151 1 1 10 GLY HA3 H 5.188 -2.882 -8.408 1.00 . A A . 10 GLY HA3 1 1 1 152 1 1 10 GLY N N 4.717 -0.847 -8.473 1.00 . A A . 10 GLY N 1 1 1 153 1 1 10 GLY O O 6.682 -2.328 -6.396 1.00 . A A . 10 GLY O 1 1 1 154 1 1 11 TYR C C 4.545 -2.146 -3.047 1.00 . A A . 11 TYR C 1 1 1 155 1 1 11 TYR CA C 5.378 -1.430 -4.112 1.00 . A A . 11 TYR CA 1 1 1 156 1 1 11 TYR CB C 5.378 0.072 -3.817 1.00 . A A . 11 TYR CB 1 1 1 157 1 1 11 TYR CD1 C 6.641 0.004 -1.636 1.00 . A A . 11 TYR CD1 1 1 1 158 1 1 11 TYR CD2 C 4.535 1.132 -1.691 1.00 . A A . 11 TYR CD2 1 1 1 159 1 1 11 TYR CE1 C 6.777 0.327 -0.239 1.00 . A A . 11 TYR CE1 1 1 1 160 1 1 11 TYR CE2 C 4.671 1.455 -0.294 1.00 . A A . 11 TYR CE2 1 1 1 161 1 1 11 TYR CG C 5.523 0.414 -2.333 1.00 . A A . 11 TYR CG 1 1 1 162 1 1 11 TYR CZ C 5.785 1.036 0.363 1.00 . A A . 11 TYR CZ 1 1 1 163 1 1 11 TYR H H 3.814 -1.328 -5.485 1.00 . A A . 11 TYR H 1 1 1 164 1 1 11 TYR HA H 6.374 -1.872 -4.142 1.00 . A A . 11 TYR HA 1 1 1 165 1 1 11 TYR HB2 H 6.194 0.540 -4.368 1.00 . A A . 11 TYR HB2 1 1 1 166 1 1 11 TYR HB3 H 4.451 0.505 -4.190 1.00 . A A . 11 TYR HB3 1 1 1 167 1 1 11 TYR HD1 H 7.422 -0.563 -2.143 1.00 . A A . 11 TYR HD1 1 1 1 168 1 1 11 TYR HD2 H 3.651 1.456 -2.241 1.00 . A A . 11 TYR HD2 1 1 1 169 1 1 11 TYR HE1 H 7.656 0.009 0.323 1.00 . A A . 11 TYR HE1 1 1 1 170 1 1 11 TYR HE2 H 3.898 2.021 0.225 1.00 . A A . 11 TYR HE2 1 1 1 171 1 1 11 TYR HH H 5.011 1.456 2.096 1.00 . A A . 11 TYR HH 1 1 1 172 1 1 11 TYR N N 4.781 -1.579 -5.428 1.00 . A A . 11 TYR N 1 1 1 173 1 1 11 TYR O O 3.691 -1.535 -2.407 1.00 . A A . 11 TYR O 1 1 1 174 1 1 11 TYR OH O 5.914 1.340 1.682 1.00 . A A . 11 TYR OH 1 1 1 175 1 1 12 GLU C C 4.102 -3.540 -0.554 1.00 . A A . 12 GLU C 1 1 1 176 1 1 12 GLU CA C 4.110 -4.239 -1.915 1.00 . A A . 12 GLU CA 1 1 1 177 1 1 12 GLU CB C 4.720 -5.638 -1.810 1.00 . A A . 12 GLU CB 1 1 1 178 1 1 12 GLU CD C 6.872 -6.904 -1.454 1.00 . A A . 12 GLU CD 1 1 1 179 1 1 12 GLU CG C 6.142 -5.576 -1.247 1.00 . A A . 12 GLU CG 1 1 1 180 1 1 12 GLU H H 5.520 -3.922 -3.416 1.00 . A A . 12 GLU H 1 1 1 181 1 1 12 GLU HA H 3.092 -4.321 -2.295 1.00 . A A . 12 GLU HA 1 1 1 182 1 1 12 GLU HB2 H 4.098 -6.262 -1.168 1.00 . A A . 12 GLU HB2 1 1 1 183 1 1 12 GLU HB3 H 4.734 -6.108 -2.793 1.00 . A A . 12 GLU HB3 1 1 1 184 1 1 12 GLU HE2 H 8.468 -7.346 -0.558 1.00 . A A . 12 GLU HE2 1 1 1 185 1 1 12 GLU HG2 H 6.695 -4.773 -1.735 1.00 . A A . 12 GLU HG2 1 1 1 186 1 1 12 GLU HG3 H 6.106 -5.338 -0.184 1.00 . A A . 12 GLU HG3 1 1 1 187 1 1 12 GLU N N 4.823 -3.432 -2.891 1.00 . A A . 12 GLU N 1 1 1 188 1 1 12 GLU O O 5.153 -3.347 0.055 1.00 . A A . 12 GLU O 1 1 1 189 1 1 12 GLU OE1 O 6.226 -7.936 -1.690 1.00 . A A . 12 GLU OE1 1 1 1 190 1 1 12 GLU OE2 O 8.157 -6.840 -1.362 1.00 . A A . 12 GLU OE2 1 1 1 191 1 1 13 TYR C C 2.590 -3.521 2.299 1.00 . A A . 13 TYR C 1 1 1 192 1 1 13 TYR CA C 2.744 -2.509 1.162 1.00 . A A . 13 TYR CA 1 1 1 193 1 1 13 TYR CB C 1.459 -1.687 1.048 1.00 . A A . 13 TYR CB 1 1 1 194 1 1 13 TYR CD1 C 1.435 0.148 2.777 1.00 . A A . 13 TYR CD1 1 1 1 195 1 1 13 TYR CD2 C 0.099 -1.795 3.168 1.00 . A A . 13 TYR CD2 1 1 1 196 1 1 13 TYR CE1 C 0.986 0.709 4.025 1.00 . A A . 13 TYR CE1 1 1 1 197 1 1 13 TYR CE2 C -0.350 -1.235 4.417 1.00 . A A . 13 TYR CE2 1 1 1 198 1 1 13 TYR CG C 0.982 -1.092 2.375 1.00 . A A . 13 TYR CG 1 1 1 199 1 1 13 TYR CZ C 0.115 -0.011 4.784 1.00 . A A . 13 TYR CZ 1 1 1 200 1 1 13 TYR H H 2.054 -3.343 -0.618 1.00 . A A . 13 TYR H 1 1 1 201 1 1 13 TYR HA H 3.636 -1.908 1.339 1.00 . A A . 13 TYR HA 1 1 1 202 1 1 13 TYR HB2 H 1.619 -0.878 0.336 1.00 . A A . 13 TYR HB2 1 1 1 203 1 1 13 TYR HB3 H 0.670 -2.319 0.641 1.00 . A A . 13 TYR HB3 1 1 1 204 1 1 13 TYR HD1 H 2.132 0.704 2.150 1.00 . A A . 13 TYR HD1 1 1 1 205 1 1 13 TYR HD2 H -0.259 -2.774 2.851 1.00 . A A . 13 TYR HD2 1 1 1 206 1 1 13 TYR HE1 H 1.335 1.687 4.355 1.00 . A A . 13 TYR HE1 1 1 1 207 1 1 13 TYR HE2 H -1.048 -1.779 5.053 1.00 . A A . 13 TYR HE2 1 1 1 208 1 1 13 TYR HH H -0.553 -0.214 6.598 1.00 . A A . 13 TYR HH 1 1 1 209 1 1 13 TYR N N 2.904 -3.181 -0.116 1.00 . A A . 13 TYR N 1 1 1 210 1 1 13 TYR O O 2.102 -4.630 2.085 1.00 . A A . 13 TYR O 1 1 1 211 1 1 13 TYR OH O -0.309 0.518 5.963 1.00 . A A . 13 TYR OH 1 1 1 212 1 1 14 ASP C C 2.011 -3.309 5.689 1.00 . A A . 14 ASP C 1 1 1 213 1 1 14 ASP CA C 2.930 -3.959 4.653 1.00 . A A . 14 ASP CA 1 1 1 214 1 1 14 ASP CB C 4.305 -4.152 5.295 1.00 . A A . 14 ASP CB 1 1 1 215 1 1 14 ASP CG C 4.756 -5.608 5.432 1.00 . A A . 14 ASP CG 1 1 1 216 1 1 14 ASP H H 3.410 -2.199 3.647 1.00 . A A . 14 ASP H 1 1 1 217 1 1 14 ASP HA H 2.539 -4.908 4.286 1.00 . A A . 14 ASP HA 1 1 1 218 1 1 14 ASP HB2 H 5.044 -3.612 4.704 1.00 . A A . 14 ASP HB2 1 1 1 219 1 1 14 ASP HB3 H 4.294 -3.696 6.285 1.00 . A A . 14 ASP HB3 1 1 1 220 1 1 14 ASP HD2 H 5.386 -6.022 3.706 1.00 . A A . 14 ASP HD2 1 1 1 221 1 1 14 ASP N N 3.015 -3.103 3.482 1.00 . A A . 14 ASP N 1 1 1 222 1 1 14 ASP O O 2.384 -2.322 6.322 1.00 . A A . 14 ASP O 1 1 1 223 1 1 14 ASP OD1 O 4.216 -6.370 6.247 1.00 . A A . 14 ASP OD1 1 1 1 224 1 1 14 ASP OD2 O 5.718 -5.956 4.647 1.00 . A A . 14 ASP OD2 1 1 1 225 1 1 15 PRO C C 0.211 -3.756 8.218 1.00 . A A . 15 PRO C 1 1 1 226 1 1 15 PRO CA C -0.178 -3.392 6.783 1.00 . A A . 15 PRO CA 1 1 1 227 1 1 15 PRO CB C -1.502 -4.002 6.354 1.00 . A A . 15 PRO CB 1 1 1 228 1 1 15 PRO CD C 0.321 -5.073 5.102 1.00 . A A . 15 PRO CD 1 1 1 229 1 1 15 PRO CG C -1.148 -5.190 5.474 1.00 . A A . 15 PRO CG 1 1 1 230 1 1 15 PRO HA H -0.202 -2.393 6.752 1.00 . A A . 15 PRO HA 1 1 1 231 1 1 15 PRO HB2 H -2.086 -4.317 7.219 1.00 . A A . 15 PRO HB2 1 1 1 232 1 1 15 PRO HB3 H -2.107 -3.278 5.808 1.00 . A A . 15 PRO HB3 1 1 1 233 1 1 15 PRO HD2 H 0.874 -5.969 5.386 1.00 . A A . 15 PRO HD2 1 1 1 234 1 1 15 PRO HD3 H 0.449 -4.947 4.027 1.00 . A A . 15 PRO HD3 1 1 1 235 1 1 15 PRO HG2 H -1.335 -6.125 6.001 1.00 . A A . 15 PRO HG2 1 1 1 236 1 1 15 PRO HG3 H -1.769 -5.200 4.578 1.00 . A A . 15 PRO HG3 1 1 1 237 1 1 15 PRO N N 0.797 -3.903 5.835 1.00 . A A . 15 PRO N 1 1 1 238 1 1 15 PRO O O -0.089 -3.015 9.153 1.00 . A A . 15 PRO O 1 1 1 239 1 1 16 ALA C C 2.526 -4.564 10.100 1.00 . A A . 16 ALA C 1 1 1 240 1 1 16 ALA CA C 1.304 -5.368 9.652 1.00 . A A . 16 ALA CA 1 1 1 241 1 1 16 ALA CB C 1.587 -6.870 9.584 1.00 . A A . 16 ALA CB 1 1 1 242 1 1 16 ALA H H 1.111 -5.494 7.581 1.00 . A A . 16 ALA H 1 1 1 243 1 1 16 ALA HA H 0.488 -5.196 10.354 1.00 . A A . 16 ALA HA 1 1 1 244 1 1 16 ALA HB1 H 0.647 -7.420 9.638 1.00 . A A . 16 ALA HB1 1 1 1 245 1 1 16 ALA HB2 H 2.091 -7.103 8.647 1.00 . A A . 16 ALA HB2 1 1 1 246 1 1 16 ALA HB3 H 2.224 -7.158 10.421 1.00 . A A . 16 ALA HB3 1 1 1 247 1 1 16 ALA N N 0.871 -4.897 8.347 1.00 . A A . 16 ALA N 1 1 1 248 1 1 16 ALA O O 2.984 -4.705 11.233 1.00 . A A . 16 ALA O 1 1 1 249 1 1 17 GLU C C 3.767 -1.443 9.591 1.00 . A A . 17 GLU C 1 1 1 250 1 1 17 GLU CA C 4.178 -2.912 9.476 1.00 . A A . 17 GLU CA 1 1 1 251 1 1 17 GLU CB C 5.261 -3.096 8.410 1.00 . A A . 17 GLU CB 1 1 1 252 1 1 17 GLU CD C 7.194 -4.089 9.690 1.00 . A A . 17 GLU CD 1 1 1 253 1 1 17 GLU CG C 6.652 -2.840 8.992 1.00 . A A . 17 GLU CG 1 1 1 254 1 1 17 GLU H H 2.639 -3.630 8.269 1.00 . A A . 17 GLU H 1 1 1 255 1 1 17 GLU HA H 4.556 -3.267 10.434 1.00 . A A . 17 GLU HA 1 1 1 256 1 1 17 GLU HB2 H 5.212 -4.109 8.009 1.00 . A A . 17 GLU HB2 1 1 1 257 1 1 17 GLU HB3 H 5.078 -2.415 7.580 1.00 . A A . 17 GLU HB3 1 1 1 258 1 1 17 GLU HE2 H 9.028 -4.160 9.269 1.00 . A A . 17 GLU HE2 1 1 1 259 1 1 17 GLU HG2 H 7.333 -2.539 8.196 1.00 . A A . 17 GLU HG2 1 1 1 260 1 1 17 GLU HG3 H 6.607 -2.014 9.702 1.00 . A A . 17 GLU HG3 1 1 1 261 1 1 17 GLU N N 3.018 -3.739 9.188 1.00 . A A . 17 GLU N 1 1 1 262 1 1 17 GLU O O 4.021 -0.802 10.610 1.00 . A A . 17 GLU O 1 1 1 263 1 1 17 GLU OE1 O 6.682 -4.478 10.750 1.00 . A A . 17 GLU OE1 1 1 1 264 1 1 17 GLU OE2 O 8.182 -4.662 9.091 1.00 . A A . 17 GLU OE2 1 1 1 265 1 1 18 GLY C C 3.336 1.190 7.342 1.00 . A A . 18 GLY C 1 1 1 266 1 1 18 GLY CA C 2.691 0.430 8.502 1.00 . A A . 18 GLY CA 1 1 1 267 1 1 18 GLY H H 2.936 -1.480 7.708 1.00 . A A . 18 GLY H 1 1 1 268 1 1 18 GLY HA2 H 1.605 0.461 8.404 1.00 . A A . 18 GLY HA2 1 1 1 269 1 1 18 GLY HA3 H 2.940 0.917 9.445 1.00 . A A . 18 GLY HA3 1 1 1 270 1 1 18 GLY N N 3.139 -0.952 8.533 1.00 . A A . 18 GLY N 1 1 1 271 1 1 18 GLY O O 3.395 0.686 6.221 1.00 . A A . 18 GLY O 1 1 1 272 1 1 19 ASP C C 5.006 4.480 7.318 1.00 . A A . 19 ASP C 1 1 1 273 1 1 19 ASP CA C 4.442 3.226 6.647 1.00 . A A . 19 ASP CA 1 1 1 274 1 1 19 ASP CB C 3.439 3.670 5.581 1.00 . A A . 19 ASP CB 1 1 1 275 1 1 19 ASP CG C 4.026 3.865 4.182 1.00 . A A . 19 ASP CG 1 1 1 276 1 1 19 ASP H H 3.751 2.793 8.565 1.00 . A A . 19 ASP H 1 1 1 277 1 1 19 ASP HA H 5.220 2.602 6.209 1.00 . A A . 19 ASP HA 1 1 1 278 1 1 19 ASP HB2 H 2.641 2.930 5.524 1.00 . A A . 19 ASP HB2 1 1 1 279 1 1 19 ASP HB3 H 2.982 4.607 5.901 1.00 . A A . 19 ASP HB3 1 1 1 280 1 1 19 ASP HD2 H 3.799 5.359 3.058 1.00 . A A . 19 ASP HD2 1 1 1 281 1 1 19 ASP N N 3.803 2.391 7.651 1.00 . A A . 19 ASP N 1 1 1 282 1 1 19 ASP O O 4.252 5.358 7.734 1.00 . A A . 19 ASP O 1 1 1 283 1 1 19 ASP OD1 O 4.206 2.900 3.424 1.00 . A A . 19 ASP OD1 1 1 1 284 1 1 19 ASP OD2 O 4.308 5.086 3.874 1.00 . A A . 19 ASP OD2 1 1 1 285 1 1 20 PRO C C 7.020 6.874 7.088 1.00 . A A . 20 PRO C 1 1 1 286 1 1 20 PRO CA C 7.036 5.658 8.017 1.00 . A A . 20 PRO CA 1 1 1 287 1 1 20 PRO CB C 8.440 5.162 8.322 1.00 . A A . 20 PRO CB 1 1 1 288 1 1 20 PRO CD C 7.287 3.504 6.922 1.00 . A A . 20 PRO CD 1 1 1 289 1 1 20 PRO CG C 8.645 3.932 7.453 1.00 . A A . 20 PRO CG 1 1 1 290 1 1 20 PRO HA H 6.554 5.941 8.846 1.00 . A A . 20 PRO HA 1 1 1 291 1 1 20 PRO HB2 H 9.182 5.928 8.096 1.00 . A A . 20 PRO HB2 1 1 1 292 1 1 20 PRO HB3 H 8.547 4.916 9.379 1.00 . A A . 20 PRO HB3 1 1 1 293 1 1 20 PRO HD2 H 7.286 3.451 5.833 1.00 . A A . 20 PRO HD2 1 1 1 294 1 1 20 PRO HD3 H 7.012 2.515 7.289 1.00 . A A . 20 PRO HD3 1 1 1 295 1 1 20 PRO HG2 H 9.325 4.154 6.630 1.00 . A A . 20 PRO HG2 1 1 1 296 1 1 20 PRO HG3 H 9.099 3.127 8.032 1.00 . A A . 20 PRO HG3 1 1 1 297 1 1 20 PRO N N 6.362 4.525 7.404 1.00 . A A . 20 PRO N 1 1 1 298 1 1 20 PRO O O 6.900 8.008 7.548 1.00 . A A . 20 PRO O 1 1 1 299 1 1 21 ASP C C 6.138 8.732 5.209 1.00 . A A . 21 ASP C 1 1 1 300 1 1 21 ASP CA C 7.142 7.652 4.802 1.00 . A A . 21 ASP CA 1 1 1 301 1 1 21 ASP CB C 6.728 7.115 3.430 1.00 . A A . 21 ASP CB 1 1 1 302 1 1 21 ASP CG C 7.286 7.893 2.236 1.00 . A A . 21 ASP CG 1 1 1 303 1 1 21 ASP H H 7.238 5.669 5.433 1.00 . A A . 21 ASP H 1 1 1 304 1 1 21 ASP HA H 8.167 8.022 4.778 1.00 . A A . 21 ASP HA 1 1 1 305 1 1 21 ASP HB2 H 7.051 6.077 3.350 1.00 . A A . 21 ASP HB2 1 1 1 306 1 1 21 ASP HB3 H 5.640 7.117 3.369 1.00 . A A . 21 ASP HB3 1 1 1 307 1 1 21 ASP HD2 H 8.927 8.287 1.401 1.00 . A A . 21 ASP HD2 1 1 1 308 1 1 21 ASP N N 7.141 6.595 5.799 1.00 . A A . 21 ASP N 1 1 1 309 1 1 21 ASP O O 6.463 9.919 5.208 1.00 . A A . 21 ASP O 1 1 1 310 1 1 21 ASP OD1 O 6.634 8.805 1.707 1.00 . A A . 21 ASP OD1 1 1 1 311 1 1 21 ASP OD2 O 8.459 7.524 1.845 1.00 . A A . 21 ASP OD2 1 1 1 312 1 1 22 ASN C C 3.772 9.187 7.483 1.00 . A A . 22 ASN C 1 1 1 313 1 1 22 ASN CA C 3.886 9.196 5.957 1.00 . A A . 22 ASN CA 1 1 1 314 1 1 22 ASN CB C 2.534 8.772 5.380 1.00 . A A . 22 ASN CB 1 1 1 315 1 1 22 ASN CG C 2.399 9.211 3.920 1.00 . A A . 22 ASN CG 1 1 1 316 1 1 22 ASN H H 4.683 7.316 5.547 1.00 . A A . 22 ASN H 1 1 1 317 1 1 22 ASN HA H 4.183 10.170 5.567 1.00 . A A . 22 ASN HA 1 1 1 318 1 1 22 ASN HB2 H 2.428 7.689 5.449 1.00 . A A . 22 ASN HB2 1 1 1 319 1 1 22 ASN HB3 H 1.729 9.209 5.971 1.00 . A A . 22 ASN HB3 1 1 1 320 1 1 22 ASN HD21 H 3.826 7.861 3.432 1.00 . A A . 22 ASN HD21 1 1 1 321 1 1 22 ASN HD22 H 3.191 8.779 2.108 1.00 . A A . 22 ASN HD22 1 1 1 322 1 1 22 ASN N N 4.939 8.283 5.548 1.00 . A A . 22 ASN N 1 1 1 323 1 1 22 ASN ND2 N 3.206 8.563 3.084 1.00 . A A . 22 ASN ND2 1 1 1 324 1 1 22 ASN O O 3.664 10.241 8.107 1.00 . A A . 22 ASN O 1 1 1 325 1 1 22 ASN OD1 O 1.614 10.079 3.576 1.00 . A A . 22 ASN OD1 1 1 1 326 1 1 23 GLY C C 2.528 6.916 9.851 1.00 . A A . 23 GLY C 1 1 1 327 1 1 23 GLY CA C 3.702 7.824 9.480 1.00 . A A . 23 GLY CA 1 1 1 328 1 1 23 GLY H H 3.889 7.132 7.524 1.00 . A A . 23 GLY H 1 1 1 329 1 1 23 GLY HA2 H 4.630 7.402 9.867 1.00 . A A . 23 GLY HA2 1 1 1 330 1 1 23 GLY HA3 H 3.575 8.799 9.950 1.00 . A A . 23 GLY HA3 1 1 1 331 1 1 23 GLY N N 3.800 7.985 8.039 1.00 . A A . 23 GLY N 1 1 1 332 1 1 23 GLY O O 1.442 7.397 10.168 1.00 . A A . 23 GLY O 1 1 1 333 1 1 24 VAL C C 2.361 3.578 11.059 1.00 . A A . 24 VAL C 1 1 1 334 1 1 24 VAL CA C 1.766 4.637 10.128 1.00 . A A . 24 VAL CA 1 1 1 335 1 1 24 VAL CB C 1.180 4.043 8.845 1.00 . A A . 24 VAL CB 1 1 1 336 1 1 24 VAL CG1 C 0.162 2.947 9.164 1.00 . A A . 24 VAL CG1 1 1 1 337 1 1 24 VAL CG2 C 0.556 5.134 7.972 1.00 . A A . 24 VAL CG2 1 1 1 338 1 1 24 VAL H H 3.674 5.233 9.542 1.00 . A A . 24 VAL H 1 1 1 339 1 1 24 VAL HA H 0.967 5.158 10.655 1.00 . A A . 24 VAL HA 1 1 1 340 1 1 24 VAL HB H 1.996 3.590 8.283 1.00 . A A . 24 VAL HB 1 1 1 341 1 1 24 VAL HG11 H -0.708 3.388 9.650 1.00 . A A . 24 VAL HG11 1 1 1 342 1 1 24 VAL HG12 H -0.147 2.458 8.240 1.00 . A A . 24 VAL HG12 1 1 1 343 1 1 24 VAL HG13 H 0.616 2.212 9.829 1.00 . A A . 24 VAL HG13 1 1 1 344 1 1 24 VAL HG21 H 1.244 5.976 7.896 1.00 . A A . 24 VAL HG21 1 1 1 345 1 1 24 VAL HG22 H 0.359 4.734 6.977 1.00 . A A . 24 VAL HG22 1 1 1 346 1 1 24 VAL HG23 H -0.379 5.468 8.421 1.00 . A A . 24 VAL HG23 1 1 1 347 1 1 24 VAL N N 2.788 5.617 9.801 1.00 . A A . 24 VAL N 1 1 1 348 1 1 24 VAL O O 3.551 3.277 10.982 1.00 . A A . 24 VAL O 1 1 1 349 1 1 25 LYS C C 1.687 0.641 12.258 1.00 . A A . 25 LYS C 1 1 1 350 1 1 25 LYS CA C 1.931 2.025 12.863 1.00 . A A . 25 LYS CA 1 1 1 351 1 1 25 LYS CB C 1.252 2.233 14.217 1.00 . A A . 25 LYS CB 1 1 1 352 1 1 25 LYS CD C -1.182 2.869 14.039 1.00 . A A . 25 LYS CD 1 1 1 353 1 1 25 LYS CE C -2.133 2.937 15.236 1.00 . A A . 25 LYS CE 1 1 1 354 1 1 25 LYS CG C -0.188 1.716 14.194 1.00 . A A . 25 LYS CG 1 1 1 355 1 1 25 LYS H H 0.539 3.294 11.974 1.00 . A A . 25 LYS H 1 1 1 356 1 1 25 LYS HA H 3.003 2.151 13.017 1.00 . A A . 25 LYS HA 1 1 1 357 1 1 25 LYS HB2 H 1.815 1.717 14.995 1.00 . A A . 25 LYS HB2 1 1 1 358 1 1 25 LYS HB3 H 1.257 3.293 14.472 1.00 . A A . 25 LYS HB3 1 1 1 359 1 1 25 LYS HD2 H -0.641 3.811 13.947 1.00 . A A . 25 LYS HD2 1 1 1 360 1 1 25 LYS HD3 H -1.755 2.739 13.121 1.00 . A A . 25 LYS HD3 1 1 1 361 1 1 25 LYS HE2 H -2.634 1.977 15.364 1.00 . A A . 25 LYS HE2 1 1 1 362 1 1 25 LYS HE3 H -1.567 3.126 16.148 1.00 . A A . 25 LYS HE3 1 1 1 363 1 1 25 LYS HG2 H -0.312 1.012 13.371 1.00 . A A . 25 LYS HG2 1 1 1 364 1 1 25 LYS HG3 H -0.398 1.172 15.114 1.00 . A A . 25 LYS HG3 1 1 1 365 1 1 25 LYS HZ1 H -3.519 4.001 14.099 1.00 . A A . 25 LYS HZ1 1 1 1 366 1 1 25 LYS HZ3 H -2.747 4.928 15.193 1.00 . A A . 25 LYS HZ3 1 1 1 367 1 1 25 LYS N N 1.505 3.043 11.918 1.00 . A A . 25 LYS N 1 1 1 368 1 1 25 LYS NZ N -3.138 4.005 15.039 1.00 . A A . 25 LYS NZ 1 1 1 369 1 1 25 LYS O O 0.940 0.505 11.291 1.00 . A A . 25 LYS O 1 1 1 370 1 1 26 PRO C C 0.857 -2.332 12.813 1.00 . A A . 26 PRO C 1 1 1 371 1 1 26 PRO CA C 2.210 -1.747 12.403 1.00 . A A . 26 PRO CA 1 1 1 372 1 1 26 PRO CB C 3.388 -2.491 13.011 1.00 . A A . 26 PRO CB 1 1 1 373 1 1 26 PRO CD C 3.241 -0.255 14.019 1.00 . A A . 26 PRO CD 1 1 1 374 1 1 26 PRO CG C 3.876 -1.628 14.164 1.00 . A A . 26 PRO CG 1 1 1 375 1 1 26 PRO HA H 2.229 -1.776 11.404 1.00 . A A . 26 PRO HA 1 1 1 376 1 1 26 PRO HB2 H 3.087 -3.478 13.362 1.00 . A A . 26 PRO HB2 1 1 1 377 1 1 26 PRO HB3 H 4.177 -2.642 12.275 1.00 . A A . 26 PRO HB3 1 1 1 378 1 1 26 PRO HD2 H 2.692 0.025 14.918 1.00 . A A . 26 PRO HD2 1 1 1 379 1 1 26 PRO HD3 H 3.995 0.515 13.853 1.00 . A A . 26 PRO HD3 1 1 1 380 1 1 26 PRO HG2 H 3.602 -2.076 15.119 1.00 . A A . 26 PRO HG2 1 1 1 381 1 1 26 PRO HG3 H 4.963 -1.550 14.148 1.00 . A A . 26 PRO HG3 1 1 1 382 1 1 26 PRO N N 2.348 -0.378 12.870 1.00 . A A . 26 PRO N 1 1 1 383 1 1 26 PRO O O 0.343 -2.024 13.887 1.00 . A A . 26 PRO O 1 1 1 384 1 1 27 GLY C C -2.113 -2.947 11.648 1.00 . A A . 27 GLY C 1 1 1 385 1 1 27 GLY CA C -0.964 -3.799 12.193 1.00 . A A . 27 GLY CA 1 1 1 386 1 1 27 GLY H H 0.744 -3.413 11.064 1.00 . A A . 27 GLY H 1 1 1 387 1 1 27 GLY HA2 H -0.987 -4.785 11.730 1.00 . A A . 27 GLY HA2 1 1 1 388 1 1 27 GLY HA3 H -1.092 -3.946 13.265 1.00 . A A . 27 GLY HA3 1 1 1 389 1 1 27 GLY N N 0.319 -3.167 11.936 1.00 . A A . 27 GLY N 1 1 1 390 1 1 27 GLY O O -3.276 -3.195 11.961 1.00 . A A . 27 GLY O 1 1 1 391 1 1 28 THR C C -3.178 -1.601 8.888 1.00 . A A . 28 THR C 1 1 1 392 1 1 28 THR CA C -2.732 -1.072 10.252 1.00 . A A . 28 THR CA 1 1 1 393 1 1 28 THR CB C -2.126 0.332 10.191 1.00 . A A . 28 THR CB 1 1 1 394 1 1 28 THR CG2 C -3.166 1.406 9.868 1.00 . A A . 28 THR CG2 1 1 1 395 1 1 28 THR H H -0.798 -1.766 10.594 1.00 . A A . 28 THR H 1 1 1 396 1 1 28 THR HA H -3.612 -1.060 10.894 1.00 . A A . 28 THR HA 1 1 1 397 1 1 28 THR HB H -1.297 0.367 9.485 1.00 . A A . 28 THR HB 1 1 1 398 1 1 28 THR HG1 H -1.064 1.334 11.561 1.00 . A A . 28 THR HG1 1 1 1 399 1 1 28 THR HG21 H -3.242 1.524 8.787 1.00 . A A . 28 THR HG21 1 1 1 400 1 1 28 THR HG22 H -4.134 1.106 10.270 1.00 . A A . 28 THR HG22 1 1 1 401 1 1 28 THR HG23 H -2.864 2.352 10.317 1.00 . A A . 28 THR HG23 1 1 1 402 1 1 28 THR N N -1.746 -1.961 10.843 1.00 . A A . 28 THR N 1 1 1 403 1 1 28 THR O O -2.521 -2.464 8.308 1.00 . A A . 28 THR O 1 1 1 404 1 1 28 THR OG1 O -1.750 0.607 11.538 1.00 . A A . 28 THR OG1 1 1 1 405 1 1 29 SER C C -4.740 -0.311 6.133 1.00 . A A . 29 SER C 1 1 1 406 1 1 29 SER CA C -4.833 -1.468 7.129 1.00 . A A . 29 SER CA 1 1 1 407 1 1 29 SER CB C -6.283 -1.936 7.266 1.00 . A A . 29 SER CB 1 1 1 408 1 1 29 SER H H -4.820 -0.359 8.893 1.00 . A A . 29 SER H 1 1 1 409 1 1 29 SER HA H -4.212 -2.303 6.806 1.00 . A A . 29 SER HA 1 1 1 410 1 1 29 SER HB2 H -6.480 -2.723 6.539 1.00 . A A . 29 SER HB2 1 1 1 411 1 1 29 SER HB3 H -6.433 -2.370 8.254 1.00 . A A . 29 SER HB3 1 1 1 412 1 1 29 SER HG H -7.799 -1.068 6.290 1.00 . A A . 29 SER HG 1 1 1 413 1 1 29 SER N N -4.291 -1.061 8.415 1.00 . A A . 29 SER N 1 1 1 414 1 1 29 SER O O -5.000 0.839 6.484 1.00 . A A . 29 SER O 1 1 1 415 1 1 29 SER OG O -7.209 -0.869 7.072 1.00 . A A . 29 SER OG 1 1 1 416 1 1 30 PHE C C -5.433 1.294 3.855 1.00 . A A . 30 PHE C 1 1 1 417 1 1 30 PHE CA C -4.237 0.340 3.858 1.00 . A A . 30 PHE CA 1 1 1 418 1 1 30 PHE CB C -4.199 -0.415 2.528 1.00 . A A . 30 PHE CB 1 1 1 419 1 1 30 PHE CD1 C -4.791 1.201 0.709 1.00 . A A . 30 PHE CD1 1 1 1 420 1 1 30 PHE CD2 C -2.551 0.493 0.876 1.00 . A A . 30 PHE CD2 1 1 1 421 1 1 30 PHE CE1 C -4.451 2.012 -0.406 1.00 . A A . 30 PHE CE1 1 1 1 422 1 1 30 PHE CE2 C -2.211 1.304 -0.239 1.00 . A A . 30 PHE CE2 1 1 1 423 1 1 30 PHE CG C -3.833 0.458 1.327 1.00 . A A . 30 PHE CG 1 1 1 424 1 1 30 PHE CZ C -3.169 2.046 -0.857 1.00 . A A . 30 PHE CZ 1 1 1 425 1 1 30 PHE H H -4.158 -1.593 4.631 1.00 . A A . 30 PHE H 1 1 1 426 1 1 30 PHE HA H -3.326 0.904 4.058 1.00 . A A . 30 PHE HA 1 1 1 427 1 1 30 PHE HB2 H -3.479 -1.230 2.605 1.00 . A A . 30 PHE HB2 1 1 1 428 1 1 30 PHE HB3 H -5.175 -0.868 2.351 1.00 . A A . 30 PHE HB3 1 1 1 429 1 1 30 PHE HD1 H -5.819 1.173 1.070 1.00 . A A . 30 PHE HD1 1 1 1 430 1 1 30 PHE HD2 H -1.783 -0.102 1.371 1.00 . A A . 30 PHE HD2 1 1 1 431 1 1 30 PHE HE1 H -5.219 2.606 -0.902 1.00 . A A . 30 PHE HE1 1 1 1 432 1 1 30 PHE HE2 H -1.183 1.331 -0.600 1.00 . A A . 30 PHE HE2 1 1 1 433 1 1 30 PHE HZ H -2.908 2.668 -1.713 1.00 . A A . 30 PHE HZ 1 1 1 434 1 1 30 PHE N N -4.368 -0.655 4.908 1.00 . A A . 30 PHE N 1 1 1 435 1 1 30 PHE O O -5.261 2.511 3.897 1.00 . A A . 30 PHE O 1 1 1 436 1 1 31 ASP C C -7.794 2.518 4.927 1.00 . A A . 31 ASP C 1 1 1 437 1 1 31 ASP CA C -7.844 1.488 3.797 1.00 . A A . 31 ASP CA 1 1 1 438 1 1 31 ASP CB C -9.068 0.598 4.022 1.00 . A A . 31 ASP CB 1 1 1 439 1 1 31 ASP CG C -9.993 0.453 2.812 1.00 . A A . 31 ASP CG 1 1 1 440 1 1 31 ASP H H -6.751 -0.285 3.772 1.00 . A A . 31 ASP H 1 1 1 441 1 1 31 ASP HA H -7.880 1.952 2.811 1.00 . A A . 31 ASP HA 1 1 1 442 1 1 31 ASP HB2 H -8.727 -0.393 4.321 1.00 . A A . 31 ASP HB2 1 1 1 443 1 1 31 ASP HB3 H -9.644 1.002 4.854 1.00 . A A . 31 ASP HB3 1 1 1 444 1 1 31 ASP HD2 H -11.227 -0.419 3.935 1.00 . A A . 31 ASP HD2 1 1 1 445 1 1 31 ASP N N -6.619 0.705 3.806 1.00 . A A . 31 ASP N 1 1 1 446 1 1 31 ASP O O -8.361 3.603 4.808 1.00 . A A . 31 ASP O 1 1 1 447 1 1 31 ASP OD1 O -9.575 0.651 1.661 1.00 . A A . 31 ASP OD1 1 1 1 448 1 1 31 ASP OD2 O -11.206 0.116 3.091 1.00 . A A . 31 ASP OD2 1 1 1 449 1 1 32 ASP C C -6.091 4.210 6.777 1.00 . A A . 32 ASP C 1 1 1 450 1 1 32 ASP CA C -6.978 3.019 7.148 1.00 . A A . 32 ASP CA 1 1 1 451 1 1 32 ASP CB C -6.325 2.291 8.324 1.00 . A A . 32 ASP CB 1 1 1 452 1 1 32 ASP CG C -6.865 2.676 9.703 1.00 . A A . 32 ASP CG 1 1 1 453 1 1 32 ASP H H -6.651 1.257 6.086 1.00 . A A . 32 ASP H 1 1 1 454 1 1 32 ASP HA H -7.996 3.319 7.397 1.00 . A A . 32 ASP HA 1 1 1 455 1 1 32 ASP HB2 H -6.456 1.218 8.186 1.00 . A A . 32 ASP HB2 1 1 1 456 1 1 32 ASP HB3 H -5.253 2.487 8.303 1.00 . A A . 32 ASP HB3 1 1 1 457 1 1 32 ASP HD2 H -6.536 1.162 10.774 1.00 . A A . 32 ASP HD2 1 1 1 458 1 1 32 ASP N N -7.110 2.142 5.997 1.00 . A A . 32 ASP N 1 1 1 459 1 1 32 ASP O O -6.288 5.315 7.279 1.00 . A A . 32 ASP O 1 1 1 460 1 1 32 ASP OD1 O -6.866 3.857 10.082 1.00 . A A . 32 ASP OD1 1 1 1 461 1 1 32 ASP OD2 O -7.303 1.691 10.411 1.00 . A A . 32 ASP OD2 1 1 1 462 1 1 33 LEU C C -5.010 6.229 5.078 1.00 . A A . 33 LEU C 1 1 1 463 1 1 33 LEU CA C -4.215 4.978 5.458 1.00 . A A . 33 LEU CA 1 1 1 464 1 1 33 LEU CB C -3.319 4.454 4.335 1.00 . A A . 33 LEU CB 1 1 1 465 1 1 33 LEU CD1 C -1.807 2.648 3.434 1.00 . A A . 33 LEU CD1 1 1 1 466 1 1 33 LEU CD2 C -1.358 3.668 5.712 1.00 . A A . 33 LEU CD2 1 1 1 467 1 1 33 LEU CG C -2.423 3.266 4.690 1.00 . A A . 33 LEU CG 1 1 1 468 1 1 33 LEU H H -4.980 3.041 5.498 1.00 . A A . 33 LEU H 1 1 1 469 1 1 33 LEU HA H -3.568 5.223 6.300 1.00 . A A . 33 LEU HA 1 1 1 470 1 1 33 LEU HB2 H -3.952 4.168 3.495 1.00 . A A . 33 LEU HB2 1 1 1 471 1 1 33 LEU HB3 H -2.685 5.272 3.992 1.00 . A A . 33 LEU HB3 1 1 1 472 1 1 33 LEU HD11 H -1.155 1.822 3.717 1.00 . A A . 33 LEU HD11 1 1 1 473 1 1 33 LEU HD12 H -2.601 2.278 2.784 1.00 . A A . 33 LEU HD12 1 1 1 474 1 1 33 LEU HD13 H -1.228 3.404 2.904 1.00 . A A . 33 LEU HD13 1 1 1 475 1 1 33 LEU HD21 H -1.031 4.689 5.513 1.00 . A A . 33 LEU HD21 1 1 1 476 1 1 33 LEU HD22 H -1.778 3.611 6.717 1.00 . A A . 33 LEU HD22 1 1 1 477 1 1 33 LEU HD23 H -0.507 2.992 5.635 1.00 . A A . 33 LEU HD23 1 1 1 478 1 1 33 LEU HG H -3.042 2.499 5.156 1.00 . A A . 33 LEU HG 1 1 1 479 1 1 33 LEU N N -5.133 3.943 5.902 1.00 . A A . 33 LEU N 1 1 1 480 1 1 33 LEU O O -6.198 6.145 4.770 1.00 . A A . 33 LEU O 1 1 1 481 1 1 34 PRO C C -5.132 8.785 3.263 1.00 . A A . 34 PRO C 1 1 1 482 1 1 34 PRO CA C -4.931 8.658 4.775 1.00 . A A . 34 PRO CA 1 1 1 483 1 1 34 PRO CB C -4.002 9.720 5.341 1.00 . A A . 34 PRO CB 1 1 1 484 1 1 34 PRO CD C -2.896 7.529 5.471 1.00 . A A . 34 PRO CD 1 1 1 485 1 1 34 PRO CG C -2.666 9.029 5.563 1.00 . A A . 34 PRO CG 1 1 1 486 1 1 34 PRO HA H -5.844 8.711 5.178 1.00 . A A . 34 PRO HA 1 1 1 487 1 1 34 PRO HB2 H -3.899 10.557 4.651 1.00 . A A . 34 PRO HB2 1 1 1 488 1 1 34 PRO HB3 H -4.393 10.123 6.275 1.00 . A A . 34 PRO HB3 1 1 1 489 1 1 34 PRO HD2 H -2.249 7.075 4.721 1.00 . A A . 34 PRO HD2 1 1 1 490 1 1 34 PRO HD3 H -2.679 7.037 6.419 1.00 . A A . 34 PRO HD3 1 1 1 491 1 1 34 PRO HG2 H -1.941 9.351 4.816 1.00 . A A . 34 PRO HG2 1 1 1 492 1 1 34 PRO HG3 H -2.258 9.294 6.539 1.00 . A A . 34 PRO HG3 1 1 1 493 1 1 34 PRO N N -4.304 7.391 5.112 1.00 . A A . 34 PRO N 1 1 1 494 1 1 34 PRO O O -4.567 8.012 2.491 1.00 . A A . 34 PRO O 1 1 1 495 1 1 35 ALA C C -5.004 10.652 0.822 1.00 . A A . 35 ALA C 1 1 1 496 1 1 35 ALA CA C -6.223 10.003 1.481 1.00 . A A . 35 ALA CA 1 1 1 497 1 1 35 ALA CB C -7.482 10.863 1.352 1.00 . A A . 35 ALA CB 1 1 1 498 1 1 35 ALA H H -6.396 10.389 3.521 1.00 . A A . 35 ALA H 1 1 1 499 1 1 35 ALA HA H -6.408 9.037 1.012 1.00 . A A . 35 ALA HA 1 1 1 500 1 1 35 ALA HB1 H -7.753 10.955 0.300 1.00 . A A . 35 ALA HB1 1 1 1 501 1 1 35 ALA HB2 H -8.300 10.393 1.898 1.00 . A A . 35 ALA HB2 1 1 1 502 1 1 35 ALA HB3 H -7.290 11.852 1.767 1.00 . A A . 35 ALA HB3 1 1 1 503 1 1 35 ALA N N -5.940 9.765 2.886 1.00 . A A . 35 ALA N 1 1 1 504 1 1 35 ALA O O -4.749 10.442 -0.363 1.00 . A A . 35 ALA O 1 1 1 505 1 1 36 ASP C C -1.947 11.105 1.019 1.00 . A A . 36 ASP C 1 1 1 506 1 1 36 ASP CA C -3.097 12.108 1.128 1.00 . A A . 36 ASP CA 1 1 1 507 1 1 36 ASP CB C -2.665 13.220 2.085 1.00 . A A . 36 ASP CB 1 1 1 508 1 1 36 ASP CG C -2.528 14.605 1.448 1.00 . A A . 36 ASP CG 1 1 1 509 1 1 36 ASP H H -4.497 11.592 2.582 1.00 . A A . 36 ASP H 1 1 1 510 1 1 36 ASP HA H -3.384 12.521 0.161 1.00 . A A . 36 ASP HA 1 1 1 511 1 1 36 ASP HB2 H -3.388 13.281 2.899 1.00 . A A . 36 ASP HB2 1 1 1 512 1 1 36 ASP HB3 H -1.708 12.945 2.530 1.00 . A A . 36 ASP HB3 1 1 1 513 1 1 36 ASP HD2 H -1.798 13.802 -0.091 1.00 . A A . 36 ASP HD2 1 1 1 514 1 1 36 ASP N N -4.283 11.427 1.619 1.00 . A A . 36 ASP N 1 1 1 515 1 1 36 ASP O O -0.829 11.473 0.662 1.00 . A A . 36 ASP O 1 1 1 516 1 1 36 ASP OD1 O -3.137 15.582 1.908 1.00 . A A . 36 ASP OD1 1 1 1 517 1 1 36 ASP OD2 O -1.747 14.658 0.423 1.00 . A A . 36 ASP OD2 1 1 1 518 1 1 37 TRP C C -1.219 8.274 -0.163 1.00 . A A . 37 TRP C 1 1 1 519 1 1 37 TRP CA C -1.268 8.797 1.274 1.00 . A A . 37 TRP CA 1 1 1 520 1 1 37 TRP CB C -1.572 7.703 2.298 1.00 . A A . 37 TRP CB 1 1 1 521 1 1 37 TRP CD1 C 0.398 6.413 3.355 1.00 . A A . 37 TRP CD1 1 1 1 522 1 1 37 TRP CD2 C -0.253 5.575 1.410 1.00 . A A . 37 TRP CD2 1 1 1 523 1 1 37 TRP CE2 C 0.796 4.801 1.862 1.00 . A A . 37 TRP CE2 1 1 1 524 1 1 37 TRP CE3 C -0.894 5.300 0.189 1.00 . A A . 37 TRP CE3 1 1 1 525 1 1 37 TRP CG C -0.502 6.613 2.382 1.00 . A A . 37 TRP CG 1 1 1 526 1 1 37 TRP CH2 C 0.674 3.408 -0.063 1.00 . A A . 37 TRP CH2 1 1 1 527 1 1 37 TRP CZ2 C 1.297 3.701 1.156 1.00 . A A . 37 TRP CZ2 1 1 1 528 1 1 37 TRP CZ3 C -0.382 4.197 -0.504 1.00 . A A . 37 TRP CZ3 1 1 1 529 1 1 37 TRP H H -3.173 9.565 1.622 1.00 . A A . 37 TRP H 1 1 1 530 1 1 37 TRP HA H -0.305 9.228 1.547 1.00 . A A . 37 TRP HA 1 1 1 531 1 1 37 TRP HB2 H -1.688 8.161 3.281 1.00 . A A . 37 TRP HB2 1 1 1 532 1 1 37 TRP HB3 H -2.528 7.241 2.048 1.00 . A A . 37 TRP HB3 1 1 1 533 1 1 37 TRP HD1 H 0.482 7.031 4.249 1.00 . A A . 37 TRP HD1 1 1 1 534 1 1 37 TRP HE1 H 2.013 4.950 3.709 1.00 . A A . 37 TRP HE1 1 1 1 535 1 1 37 TRP HE3 H -1.724 5.896 -0.189 1.00 . A A . 37 TRP HE3 1 1 1 536 1 1 37 TRP HH2 H 1.015 2.564 -0.663 1.00 . A A . 37 TRP HH2 1 1 1 537 1 1 37 TRP HZ2 H 2.127 3.105 1.535 1.00 . A A . 37 TRP HZ2 1 1 1 538 1 1 37 TRP HZ3 H -0.843 3.939 -1.458 1.00 . A A . 37 TRP HZ3 1 1 1 539 1 1 37 TRP N N -2.261 9.856 1.332 1.00 . A A . 37 TRP N 1 1 1 540 1 1 37 TRP NE1 N 1.204 5.327 3.083 1.00 . A A . 37 TRP NE1 1 1 1 541 1 1 37 TRP O O -2.257 8.100 -0.800 1.00 . A A . 37 TRP O 1 1 1 542 1 1 38 VAL C C 1.480 6.709 -2.031 1.00 . A A . 38 VAL C 1 1 1 543 1 1 38 VAL CA C 0.196 7.539 -1.982 1.00 . A A . 38 VAL CA 1 1 1 544 1 1 38 VAL CB C 0.198 8.703 -2.975 1.00 . A A . 38 VAL CB 1 1 1 545 1 1 38 VAL CG1 C -1.200 9.310 -3.112 1.00 . A A . 38 VAL CG1 1 1 1 546 1 1 38 VAL CG2 C 1.221 9.766 -2.572 1.00 . A A . 38 VAL CG2 1 1 1 547 1 1 38 VAL H H 0.837 8.184 -0.108 1.00 . A A . 38 VAL H 1 1 1 548 1 1 38 VAL HA H -0.649 6.893 -2.221 1.00 . A A . 38 VAL HA 1 1 1 549 1 1 38 VAL HB H 0.490 8.311 -3.950 1.00 . A A . 38 VAL HB 1 1 1 550 1 1 38 VAL HG11 H -1.949 8.540 -2.931 1.00 . A A . 38 VAL HG11 1 1 1 551 1 1 38 VAL HG12 H -1.320 10.112 -2.384 1.00 . A A . 38 VAL HG12 1 1 1 552 1 1 38 VAL HG13 H -1.325 9.710 -4.118 1.00 . A A . 38 VAL HG13 1 1 1 553 1 1 38 VAL HG21 H 1.746 9.443 -1.673 1.00 . A A . 38 VAL HG21 1 1 1 554 1 1 38 VAL HG22 H 1.939 9.906 -3.381 1.00 . A A . 38 VAL HG22 1 1 1 555 1 1 38 VAL HG23 H 0.708 10.708 -2.375 1.00 . A A . 38 VAL HG23 1 1 1 556 1 1 38 VAL N N -0.002 8.039 -0.632 1.00 . A A . 38 VAL N 1 1 1 557 1 1 38 VAL O O 2.411 6.953 -1.264 1.00 . A A . 38 VAL O 1 1 1 558 1 1 39 CYS C C 3.905 5.741 -3.041 1.00 . A A . 39 CYS C 1 1 1 559 1 1 39 CYS CA C 2.644 4.877 -3.098 1.00 . A A . 39 CYS CA 1 1 1 560 1 1 39 CYS CB C 2.567 4.064 -4.392 1.00 . A A . 39 CYS CB 1 1 1 561 1 1 39 CYS H H 0.728 5.553 -3.559 1.00 . A A . 39 CYS H 1 1 1 562 1 1 39 CYS HA H 2.621 4.170 -2.268 1.00 . A A . 39 CYS HA 1 1 1 563 1 1 39 CYS HB2 H 1.794 3.303 -4.281 1.00 . A A . 39 CYS HB2 1 1 1 564 1 1 39 CYS HB3 H 2.252 4.723 -5.200 1.00 . A A . 39 CYS HB3 1 1 1 565 1 1 39 CYS N N 1.489 5.745 -2.939 1.00 . A A . 39 CYS N 1 1 1 566 1 1 39 CYS O O 4.240 6.421 -4.009 1.00 . A A . 39 CYS O 1 1 1 567 1 1 39 CYS SG S 4.129 3.245 -4.878 1.00 . A A . 39 CYS SG 1 1 1 568 1 1 40 PRO C C 6.979 5.823 -2.423 1.00 . A A . 40 PRO C 1 1 1 569 1 1 40 PRO CA C 5.805 6.453 -1.670 1.00 . A A . 40 PRO CA 1 1 1 570 1 1 40 PRO CB C 6.013 6.484 -0.165 1.00 . A A . 40 PRO CB 1 1 1 571 1 1 40 PRO CD C 4.221 4.889 -0.698 1.00 . A A . 40 PRO CD 1 1 1 572 1 1 40 PRO CG C 5.172 5.348 0.395 1.00 . A A . 40 PRO CG 1 1 1 573 1 1 40 PRO HA H 5.700 7.372 -2.049 1.00 . A A . 40 PRO HA 1 1 1 574 1 1 40 PRO HB2 H 7.065 6.352 0.087 1.00 . A A . 40 PRO HB2 1 1 1 575 1 1 40 PRO HB3 H 5.703 7.442 0.252 1.00 . A A . 40 PRO HB3 1 1 1 576 1 1 40 PRO HD2 H 4.329 3.823 -0.894 1.00 . A A . 40 PRO HD2 1 1 1 577 1 1 40 PRO HD3 H 3.182 5.058 -0.415 1.00 . A A . 40 PRO HD3 1 1 1 578 1 1 40 PRO HG2 H 5.809 4.525 0.718 1.00 . A A . 40 PRO HG2 1 1 1 579 1 1 40 PRO HG3 H 4.615 5.682 1.271 1.00 . A A . 40 PRO HG3 1 1 1 580 1 1 40 PRO N N 4.588 5.684 -1.866 1.00 . A A . 40 PRO N 1 1 1 581 1 1 40 PRO O O 8.019 5.537 -1.831 1.00 . A A . 40 PRO O 1 1 1 582 1 1 41 VAL C C 7.729 5.651 -5.954 1.00 . A A . 41 VAL C 1 1 1 583 1 1 41 VAL CA C 7.801 5.033 -4.556 1.00 . A A . 41 VAL CA 1 1 1 584 1 1 41 VAL CB C 7.656 3.510 -4.567 1.00 . A A . 41 VAL CB 1 1 1 585 1 1 41 VAL CG1 C 8.791 2.857 -5.359 1.00 . A A . 41 VAL CG1 1 1 1 586 1 1 41 VAL CG2 C 7.593 2.956 -3.142 1.00 . A A . 41 VAL CG2 1 1 1 587 1 1 41 VAL H H 5.924 5.860 -4.190 1.00 . A A . 41 VAL H 1 1 1 588 1 1 41 VAL HA H 8.767 5.278 -4.114 1.00 . A A . 41 VAL HA 1 1 1 589 1 1 41 VAL HB H 6.717 3.266 -5.063 1.00 . A A . 41 VAL HB 1 1 1 590 1 1 41 VAL HG11 H 8.485 2.737 -6.398 1.00 . A A . 41 VAL HG11 1 1 1 591 1 1 41 VAL HG12 H 9.678 3.489 -5.312 1.00 . A A . 41 VAL HG12 1 1 1 592 1 1 41 VAL HG13 H 9.018 1.881 -4.931 1.00 . A A . 41 VAL HG13 1 1 1 593 1 1 41 VAL HG21 H 7.827 1.891 -3.156 1.00 . A A . 41 VAL HG21 1 1 1 594 1 1 41 VAL HG22 H 8.315 3.479 -2.516 1.00 . A A . 41 VAL HG22 1 1 1 595 1 1 41 VAL HG23 H 6.590 3.102 -2.740 1.00 . A A . 41 VAL HG23 1 1 1 596 1 1 41 VAL N N 6.773 5.625 -3.717 1.00 . A A . 41 VAL N 1 1 1 597 1 1 41 VAL O O 8.753 6.011 -6.531 1.00 . A A . 41 VAL O 1 1 1 598 1 1 42 CYS C C 5.452 7.591 -7.622 1.00 . A A . 42 CYS C 1 1 1 599 1 1 42 CYS CA C 6.289 6.320 -7.778 1.00 . A A . 42 CYS CA 1 1 1 600 1 1 42 CYS CB C 5.628 5.314 -8.724 1.00 . A A . 42 CYS CB 1 1 1 601 1 1 42 CYS H H 5.680 5.457 -5.983 1.00 . A A . 42 CYS H 1 1 1 602 1 1 42 CYS HA H 7.272 6.552 -8.187 1.00 . A A . 42 CYS HA 1 1 1 603 1 1 42 CYS HB2 H 5.771 5.653 -9.750 1.00 . A A . 42 CYS HB2 1 1 1 604 1 1 42 CYS HB3 H 6.141 4.357 -8.630 1.00 . A A . 42 CYS HB3 1 1 1 605 1 1 42 CYS N N 6.508 5.753 -6.459 1.00 . A A . 42 CYS N 1 1 1 606 1 1 42 CYS O O 5.798 8.638 -8.167 1.00 . A A . 42 CYS O 1 1 1 607 1 1 42 CYS SG S 3.840 5.051 -8.437 1.00 . A A . 42 CYS SG 1 1 1 608 1 1 43 GLY C C 2.011 8.150 -6.722 1.00 . A A . 43 GLY C 1 1 1 609 1 1 43 GLY CA C 3.477 8.583 -6.639 1.00 . A A . 43 GLY CA 1 1 1 610 1 1 43 GLY H H 4.091 6.603 -6.435 1.00 . A A . 43 GLY H 1 1 1 611 1 1 43 GLY HA2 H 3.678 9.011 -5.658 1.00 . A A . 43 GLY HA2 1 1 1 612 1 1 43 GLY HA3 H 3.671 9.364 -7.374 1.00 . A A . 43 GLY HA3 1 1 1 613 1 1 43 GLY N N 4.366 7.458 -6.874 1.00 . A A . 43 GLY N 1 1 1 614 1 1 43 GLY O O 1.171 8.644 -5.971 1.00 . A A . 43 GLY O 1 1 1 615 1 1 44 ALA C C -0.384 6.876 -6.526 1.00 . A A . 44 ALA C 1 1 1 616 1 1 44 ALA CA C 0.400 6.727 -7.831 1.00 . A A . 44 ALA CA 1 1 1 617 1 1 44 ALA CB C 0.461 5.276 -8.312 1.00 . A A . 44 ALA CB 1 1 1 618 1 1 44 ALA H H 2.439 6.835 -8.247 1.00 . A A . 44 ALA H 1 1 1 619 1 1 44 ALA HA H -0.075 7.333 -8.602 1.00 . A A . 44 ALA HA 1 1 1 620 1 1 44 ALA HB1 H 0.688 4.623 -7.469 1.00 . A A . 44 ALA HB1 1 1 1 621 1 1 44 ALA HB2 H -0.501 4.995 -8.741 1.00 . A A . 44 ALA HB2 1 1 1 622 1 1 44 ALA HB3 H 1.239 5.176 -9.069 1.00 . A A . 44 ALA HB3 1 1 1 623 1 1 44 ALA N N 1.749 7.232 -7.641 1.00 . A A . 44 ALA N 1 1 1 624 1 1 44 ALA O O 0.165 6.686 -5.442 1.00 . A A . 44 ALA O 1 1 1 625 1 1 45 PRO C C -2.950 6.051 -4.921 1.00 . A A . 45 PRO C 1 1 1 626 1 1 45 PRO CA C -2.556 7.402 -5.523 1.00 . A A . 45 PRO CA 1 1 1 627 1 1 45 PRO CB C -3.747 8.190 -6.043 1.00 . A A . 45 PRO CB 1 1 1 628 1 1 45 PRO CD C -2.375 7.458 -7.945 1.00 . A A . 45 PRO CD 1 1 1 629 1 1 45 PRO CG C -3.730 8.025 -7.553 1.00 . A A . 45 PRO CG 1 1 1 630 1 1 45 PRO HA H -2.073 7.893 -4.799 1.00 . A A . 45 PRO HA 1 1 1 631 1 1 45 PRO HB2 H -4.678 7.815 -5.619 1.00 . A A . 45 PRO HB2 1 1 1 632 1 1 45 PRO HB3 H -3.671 9.242 -5.764 1.00 . A A . 45 PRO HB3 1 1 1 633 1 1 45 PRO HD2 H -2.481 6.535 -8.514 1.00 . A A . 45 PRO HD2 1 1 1 634 1 1 45 PRO HD3 H -1.820 8.156 -8.572 1.00 . A A . 45 PRO HD3 1 1 1 635 1 1 45 PRO HG2 H -4.530 7.357 -7.873 1.00 . A A . 45 PRO HG2 1 1 1 636 1 1 45 PRO HG3 H -3.899 8.983 -8.044 1.00 . A A . 45 PRO HG3 1 1 1 637 1 1 45 PRO N N -1.690 7.225 -6.677 1.00 . A A . 45 PRO N 1 1 1 638 1 1 45 PRO O O -2.918 5.030 -5.605 1.00 . A A . 45 PRO O 1 1 1 639 1 1 46 LYS C C -4.896 4.243 -3.673 1.00 . A A . 46 LYS C 1 1 1 640 1 1 46 LYS CA C -3.712 4.883 -2.945 1.00 . A A . 46 LYS CA 1 1 1 641 1 1 46 LYS CB C -3.987 5.186 -1.471 1.00 . A A . 46 LYS CB 1 1 1 642 1 1 46 LYS CD C -5.714 6.211 0.054 1.00 . A A . 46 LYS CD 1 1 1 643 1 1 46 LYS CE C -6.720 5.508 0.967 1.00 . A A . 46 LYS CE 1 1 1 644 1 1 46 LYS CG C -5.481 5.407 -1.227 1.00 . A A . 46 LYS CG 1 1 1 645 1 1 46 LYS H H -3.335 6.926 -3.098 1.00 . A A . 46 LYS H 1 1 1 646 1 1 46 LYS HA H -2.870 4.191 -2.980 1.00 . A A . 46 LYS HA 1 1 1 647 1 1 46 LYS HB2 H -3.632 4.361 -0.853 1.00 . A A . 46 LYS HB2 1 1 1 648 1 1 46 LYS HB3 H -3.430 6.073 -1.168 1.00 . A A . 46 LYS HB3 1 1 1 649 1 1 46 LYS HD2 H -4.770 6.344 0.581 1.00 . A A . 46 LYS HD2 1 1 1 650 1 1 46 LYS HD3 H -6.081 7.206 -0.199 1.00 . A A . 46 LYS HD3 1 1 1 651 1 1 46 LYS HE2 H -7.463 6.224 1.319 1.00 . A A . 46 LYS HE2 1 1 1 652 1 1 46 LYS HE3 H -7.256 4.742 0.406 1.00 . A A . 46 LYS HE3 1 1 1 653 1 1 46 LYS HG2 H -5.918 5.934 -2.075 1.00 . A A . 46 LYS HG2 1 1 1 654 1 1 46 LYS HG3 H -5.988 4.445 -1.154 1.00 . A A . 46 LYS HG3 1 1 1 655 1 1 46 LYS HZ1 H -5.679 3.966 1.906 1.00 . A A . 46 LYS HZ1 1 1 1 656 1 1 46 LYS HZ3 H -6.643 4.795 2.924 1.00 . A A . 46 LYS HZ3 1 1 1 657 1 1 46 LYS N N -3.312 6.091 -3.647 1.00 . A A . 46 LYS N 1 1 1 658 1 1 46 LYS NZ N -6.030 4.892 2.122 1.00 . A A . 46 LYS NZ 1 1 1 659 1 1 46 LYS O O -5.179 3.061 -3.486 1.00 . A A . 46 LYS O 1 1 1 660 1 1 47 SER C C -6.246 3.603 -6.331 1.00 . A A . 47 SER C 1 1 1 661 1 1 47 SER CA C -6.702 4.581 -5.246 1.00 . A A . 47 SER CA 1 1 1 662 1 1 47 SER CB C -7.468 5.748 -5.871 1.00 . A A . 47 SER CB 1 1 1 663 1 1 47 SER H H -5.318 6.013 -4.636 1.00 . A A . 47 SER H 1 1 1 664 1 1 47 SER HA H -7.339 4.076 -4.519 1.00 . A A . 47 SER HA 1 1 1 665 1 1 47 SER HB2 H -6.933 6.678 -5.678 1.00 . A A . 47 SER HB2 1 1 1 666 1 1 47 SER HB3 H -7.505 5.620 -6.952 1.00 . A A . 47 SER HB3 1 1 1 667 1 1 47 SER HG H -9.324 6.497 -5.910 1.00 . A A . 47 SER HG 1 1 1 668 1 1 47 SER N N -5.555 5.053 -4.489 1.00 . A A . 47 SER N 1 1 1 669 1 1 47 SER O O -7.067 2.911 -6.932 1.00 . A A . 47 SER O 1 1 1 670 1 1 47 SER OG O -8.795 5.851 -5.360 1.00 . A A . 47 SER OG 1 1 1 671 1 1 48 GLU C C -3.667 1.513 -6.880 1.00 . A A . 48 GLU C 1 1 1 672 1 1 48 GLU CA C -4.365 2.697 -7.552 1.00 . A A . 48 GLU CA 1 1 1 673 1 1 48 GLU CB C -3.400 3.459 -8.462 1.00 . A A . 48 GLU CB 1 1 1 674 1 1 48 GLU CD C -3.306 5.194 -10.289 1.00 . A A . 48 GLU CD 1 1 1 675 1 1 48 GLU CG C -4.071 4.696 -9.062 1.00 . A A . 48 GLU CG 1 1 1 676 1 1 48 GLU H H -4.280 4.145 -6.056 1.00 . A A . 48 GLU H 1 1 1 677 1 1 48 GLU HA H -5.209 2.342 -8.143 1.00 . A A . 48 GLU HA 1 1 1 678 1 1 48 GLU HB2 H -2.519 3.758 -7.894 1.00 . A A . 48 GLU HB2 1 1 1 679 1 1 48 GLU HB3 H -3.056 2.804 -9.262 1.00 . A A . 48 GLU HB3 1 1 1 680 1 1 48 GLU HE2 H -4.444 6.427 -11.146 1.00 . A A . 48 GLU HE2 1 1 1 681 1 1 48 GLU HG2 H -5.098 4.457 -9.340 1.00 . A A . 48 GLU HG2 1 1 1 682 1 1 48 GLU HG3 H -4.120 5.486 -8.313 1.00 . A A . 48 GLU HG3 1 1 1 683 1 1 48 GLU N N -4.940 3.578 -6.549 1.00 . A A . 48 GLU N 1 1 1 684 1 1 48 GLU O O -2.642 1.036 -7.365 1.00 . A A . 48 GLU O 1 1 1 685 1 1 48 GLU OE1 O -2.068 5.258 -10.264 1.00 . A A . 48 GLU OE1 1 1 1 686 1 1 48 GLU OE2 O -4.044 5.523 -11.295 1.00 . A A . 48 GLU OE2 1 1 1 687 1 1 49 PHE C C -4.736 -1.155 -4.855 1.00 . A A . 49 PHE C 1 1 1 688 1 1 49 PHE CA C -3.697 -0.046 -5.032 1.00 . A A . 49 PHE CA 1 1 1 689 1 1 49 PHE CB C -3.297 0.485 -3.654 1.00 . A A . 49 PHE CB 1 1 1 690 1 1 49 PHE CD1 C -1.137 -0.745 -3.348 1.00 . A A . 49 PHE CD1 1 1 1 691 1 1 49 PHE CD2 C -1.107 1.605 -3.182 1.00 . A A . 49 PHE CD2 1 1 1 692 1 1 49 PHE CE1 C 0.260 -0.780 -3.098 1.00 . A A . 49 PHE CE1 1 1 1 693 1 1 49 PHE CE2 C 0.290 1.570 -2.933 1.00 . A A . 49 PHE CE2 1 1 1 694 1 1 49 PHE CG C -1.791 0.447 -3.385 1.00 . A A . 49 PHE CG 1 1 1 695 1 1 49 PHE CZ C 0.945 0.378 -2.896 1.00 . A A . 49 PHE CZ 1 1 1 696 1 1 49 PHE H H -5.083 1.467 -5.387 1.00 . A A . 49 PHE H 1 1 1 697 1 1 49 PHE HA H -2.853 -0.430 -5.605 1.00 . A A . 49 PHE HA 1 1 1 698 1 1 49 PHE HB2 H -3.647 1.513 -3.556 1.00 . A A . 49 PHE HB2 1 1 1 699 1 1 49 PHE HB3 H -3.807 -0.099 -2.888 1.00 . A A . 49 PHE HB3 1 1 1 700 1 1 49 PHE HD1 H -1.685 -1.673 -3.510 1.00 . A A . 49 PHE HD1 1 1 1 701 1 1 49 PHE HD2 H -1.631 2.560 -3.212 1.00 . A A . 49 PHE HD2 1 1 1 702 1 1 49 PHE HE1 H 0.785 -1.735 -3.069 1.00 . A A . 49 PHE HE1 1 1 1 703 1 1 49 PHE HE2 H 0.839 2.498 -2.771 1.00 . A A . 49 PHE HE2 1 1 1 704 1 1 49 PHE HZ H 2.017 0.351 -2.704 1.00 . A A . 49 PHE HZ 1 1 1 705 1 1 49 PHE N N -4.250 1.073 -5.775 1.00 . A A . 49 PHE N 1 1 1 706 1 1 49 PHE O O -5.907 -0.878 -4.598 1.00 . A A . 49 PHE O 1 1 1 707 1 1 50 GLU C C -4.418 -4.674 -4.139 1.00 . A A . 50 GLU C 1 1 1 708 1 1 50 GLU CA C -5.146 -3.539 -4.862 1.00 . A A . 50 GLU CA 1 1 1 709 1 1 50 GLU CB C -5.666 -4.001 -6.224 1.00 . A A . 50 GLU CB 1 1 1 710 1 1 50 GLU CD C -5.146 -5.397 -8.259 1.00 . A A . 50 GLU CD 1 1 1 711 1 1 50 GLU CG C -4.569 -4.718 -7.015 1.00 . A A . 50 GLU CG 1 1 1 712 1 1 50 GLU H H -3.317 -2.604 -5.211 1.00 . A A . 50 GLU H 1 1 1 713 1 1 50 GLU HA H -5.985 -3.193 -4.258 1.00 . A A . 50 GLU HA 1 1 1 714 1 1 50 GLU HB2 H -6.515 -4.669 -6.086 1.00 . A A . 50 GLU HB2 1 1 1 715 1 1 50 GLU HB3 H -6.025 -3.142 -6.791 1.00 . A A . 50 GLU HB3 1 1 1 716 1 1 50 GLU HE2 H -5.231 -7.002 -7.278 1.00 . A A . 50 GLU HE2 1 1 1 717 1 1 50 GLU HG2 H -3.802 -4.002 -7.310 1.00 . A A . 50 GLU HG2 1 1 1 718 1 1 50 GLU HG3 H -4.086 -5.461 -6.382 1.00 . A A . 50 GLU HG3 1 1 1 719 1 1 50 GLU N N -4.271 -2.387 -5.001 1.00 . A A . 50 GLU N 1 1 1 720 1 1 50 GLU O O -3.189 -4.699 -4.095 1.00 . A A . 50 GLU O 1 1 1 721 1 1 50 GLU OE1 O -5.078 -4.832 -9.361 1.00 . A A . 50 GLU OE1 1 1 1 722 1 1 50 GLU OE2 O -5.678 -6.553 -8.052 1.00 . A A . 50 GLU OE2 1 1 1 723 1 1 51 ALA C C -4.470 -7.891 -3.838 1.00 . A A . 51 ALA C 1 1 1 724 1 1 51 ALA CA C -4.653 -6.720 -2.871 1.00 . A A . 51 ALA CA 1 1 1 725 1 1 51 ALA CB C -5.565 -7.073 -1.694 1.00 . A A . 51 ALA CB 1 1 1 726 1 1 51 ALA H H -6.206 -5.557 -3.630 1.00 . A A . 51 ALA H 1 1 1 727 1 1 51 ALA HA H -3.679 -6.424 -2.483 1.00 . A A . 51 ALA HA 1 1 1 728 1 1 51 ALA HB1 H -4.970 -7.513 -0.893 1.00 . A A . 51 ALA HB1 1 1 1 729 1 1 51 ALA HB2 H -6.053 -6.170 -1.329 1.00 . A A . 51 ALA HB2 1 1 1 730 1 1 51 ALA HB3 H -6.320 -7.788 -2.021 1.00 . A A . 51 ALA HB3 1 1 1 731 1 1 51 ALA N N -5.207 -5.585 -3.590 1.00 . A A . 51 ALA N 1 1 1 732 1 1 51 ALA O O -5.442 -8.535 -4.229 1.00 . A A . 51 ALA O 1 1 1 733 1 1 52 ALA C C -2.794 -10.523 -4.328 1.00 . A A . 52 ALA C 1 1 1 734 1 1 52 ALA CA C -2.894 -9.212 -5.111 1.00 . A A . 52 ALA CA 1 1 1 735 1 1 52 ALA CB C -1.602 -8.880 -5.860 1.00 . A A . 52 ALA CB 1 1 1 736 1 1 52 ALA H H -2.432 -7.601 -3.874 1.00 . A A . 52 ALA H 1 1 1 737 1 1 52 ALA HA H -3.707 -9.291 -5.833 1.00 . A A . 52 ALA HA 1 1 1 738 1 1 52 ALA HB1 H -1.544 -7.804 -6.024 1.00 . A A . 52 ALA HB1 1 1 1 739 1 1 52 ALA HB2 H -0.746 -9.204 -5.268 1.00 . A A . 52 ALA HB2 1 1 1 740 1 1 52 ALA HB3 H -1.595 -9.395 -6.820 1.00 . A A . 52 ALA HB3 1 1 1 741 1 1 52 ALA N N -3.217 -8.130 -4.197 1.00 . A A . 52 ALA N 1 1 1 742 1 1 52 ALA O O -2.691 -11.597 -4.919 1.00 . A A . 52 ALA O 1 1 1 743 2 2 1 NI NI NI 3.804 2.968 -7.252 1.00 . B A . 53 NI NI 1 1 2 744 1 1 1 MET C C -3.454 -11.417 3.119 1.00 . A A . 1 MET C 1 1 2 745 1 1 1 MET CA C -4.003 -12.786 2.712 1.00 . A A . 1 MET CA 1 1 2 746 1 1 1 MET CB C -3.492 -13.146 1.315 1.00 . A A . 1 MET CB 1 1 2 747 1 1 1 MET CE C -0.633 -16.098 1.623 1.00 . A A . 1 MET CE 1 1 2 748 1 1 1 MET CG C -2.857 -14.538 1.306 1.00 . A A . 1 MET CG 1 1 2 749 1 1 1 MET H1 H -5.878 -11.879 2.712 1.00 . A A . 1 MET H1 1 1 2 750 1 1 1 MET HA H -3.710 -13.535 3.447 1.00 . A A . 1 MET HA 1 1 2 751 1 1 1 MET HB2 H -4.317 -13.114 0.603 1.00 . A A . 1 MET HB2 1 1 2 752 1 1 1 MET HB3 H -2.761 -12.406 0.989 1.00 . A A . 1 MET HB3 1 1 2 753 1 1 1 MET HE1 H -0.017 -16.466 0.802 1.00 . A A . 1 MET HE1 1 1 2 754 1 1 1 MET HE2 H -0.073 -16.165 2.556 1.00 . A A . 1 MET HE2 1 1 2 755 1 1 1 MET HE3 H -1.537 -16.702 1.697 1.00 . A A . 1 MET HE3 1 1 2 756 1 1 1 MET HG2 H -3.190 -15.105 2.175 1.00 . A A . 1 MET HG2 1 1 2 757 1 1 1 MET HG3 H -3.181 -15.088 0.422 1.00 . A A . 1 MET HG3 1 1 2 758 1 1 1 MET N N -5.456 -12.786 2.712 1.00 . A A . 1 MET N 1 1 2 759 1 1 1 MET O O -2.544 -11.328 3.940 1.00 . A A . 1 MET O 1 1 2 760 1 1 1 MET SD S -1.077 -14.396 1.316 1.00 . A A . 1 MET SD 1 1 2 761 1 1 2 LYS C C -2.407 -8.668 1.944 1.00 . A A . 2 LYS C 1 1 2 762 1 1 2 LYS CA C -3.613 -9.022 2.815 1.00 . A A . 2 LYS CA 1 1 2 763 1 1 2 LYS CB C -3.361 -8.848 4.314 1.00 . A A . 2 LYS CB 1 1 2 764 1 1 2 LYS CD C -5.516 -7.816 5.122 1.00 . A A . 2 LYS CD 1 1 2 765 1 1 2 LYS CE C -6.372 -6.678 4.562 1.00 . A A . 2 LYS CE 1 1 2 766 1 1 2 LYS CG C -4.032 -7.576 4.838 1.00 . A A . 2 LYS CG 1 1 2 767 1 1 2 LYS H H -4.773 -10.463 1.857 1.00 . A A . 2 LYS H 1 1 2 768 1 1 2 LYS HA H -4.438 -8.362 2.548 1.00 . A A . 2 LYS HA 1 1 2 769 1 1 2 LYS HB2 H -3.743 -9.714 4.855 1.00 . A A . 2 LYS HB2 1 1 2 770 1 1 2 LYS HB3 H -2.289 -8.803 4.504 1.00 . A A . 2 LYS HB3 1 1 2 771 1 1 2 LYS HD2 H -5.826 -8.762 4.679 1.00 . A A . 2 LYS HD2 1 1 2 772 1 1 2 LYS HD3 H -5.675 -7.901 6.197 1.00 . A A . 2 LYS HD3 1 1 2 773 1 1 2 LYS HE2 H -5.785 -5.761 4.519 1.00 . A A . 2 LYS HE2 1 1 2 774 1 1 2 LYS HE3 H -6.675 -6.911 3.542 1.00 . A A . 2 LYS HE3 1 1 2 775 1 1 2 LYS HG2 H -3.532 -7.247 5.749 1.00 . A A . 2 LYS HG2 1 1 2 776 1 1 2 LYS HG3 H -3.922 -6.775 4.107 1.00 . A A . 2 LYS HG3 1 1 2 777 1 1 2 LYS HZ1 H -8.308 -7.128 5.188 1.00 . A A . 2 LYS HZ1 1 1 2 778 1 1 2 LYS HZ3 H -7.961 -5.540 5.285 1.00 . A A . 2 LYS HZ3 1 1 2 779 1 1 2 LYS N N -4.033 -10.383 2.525 1.00 . A A . 2 LYS N 1 1 2 780 1 1 2 LYS NZ N -7.570 -6.468 5.405 1.00 . A A . 2 LYS NZ 1 1 2 781 1 1 2 LYS O O -2.077 -9.395 1.008 1.00 . A A . 2 LYS O 1 1 2 782 1 1 3 LYS C C -1.027 -6.777 0.101 1.00 . A A . 3 LYS C 1 1 2 783 1 1 3 LYS CA C -0.618 -7.091 1.542 1.00 . A A . 3 LYS CA 1 1 2 784 1 1 3 LYS CB C 0.522 -8.106 1.650 1.00 . A A . 3 LYS CB 1 1 2 785 1 1 3 LYS CD C 1.947 -7.165 3.505 1.00 . A A . 3 LYS CD 1 1 2 786 1 1 3 LYS CE C 3.315 -7.375 2.853 1.00 . A A . 3 LYS CE 1 1 2 787 1 1 3 LYS CG C 0.972 -8.272 3.103 1.00 . A A . 3 LYS CG 1 1 2 788 1 1 3 LYS H H -2.055 -6.964 3.044 1.00 . A A . 3 LYS H 1 1 2 789 1 1 3 LYS HA H -0.274 -6.169 2.012 1.00 . A A . 3 LYS HA 1 1 2 790 1 1 3 LYS HB2 H 0.197 -9.068 1.254 1.00 . A A . 3 LYS HB2 1 1 2 791 1 1 3 LYS HB3 H 1.364 -7.779 1.040 1.00 . A A . 3 LYS HB3 1 1 2 792 1 1 3 LYS HD2 H 1.545 -6.196 3.210 1.00 . A A . 3 LYS HD2 1 1 2 793 1 1 3 LYS HD3 H 2.056 -7.147 4.590 1.00 . A A . 3 LYS HD3 1 1 2 794 1 1 3 LYS HE2 H 4.076 -7.500 3.623 1.00 . A A . 3 LYS HE2 1 1 2 795 1 1 3 LYS HE3 H 3.306 -8.292 2.263 1.00 . A A . 3 LYS HE3 1 1 2 796 1 1 3 LYS HG2 H 0.103 -8.253 3.761 1.00 . A A . 3 LYS HG2 1 1 2 797 1 1 3 LYS HG3 H 1.447 -9.245 3.231 1.00 . A A . 3 LYS HG3 1 1 2 798 1 1 3 LYS HZ1 H 3.541 -5.340 2.469 1.00 . A A . 3 LYS HZ1 1 1 2 799 1 1 3 LYS HZ3 H 3.081 -6.188 1.157 1.00 . A A . 3 LYS HZ3 1 1 2 800 1 1 3 LYS N N -1.781 -7.550 2.282 1.00 . A A . 3 LYS N 1 1 2 801 1 1 3 LYS NZ N 3.660 -6.225 1.989 1.00 . A A . 3 LYS NZ 1 1 2 802 1 1 3 LYS O O -1.432 -7.670 -0.641 1.00 . A A . 3 LYS O 1 1 2 803 1 1 4 TYR C C -0.027 -4.550 -2.339 1.00 . A A . 4 TYR C 1 1 2 804 1 1 4 TYR CA C -1.258 -5.063 -1.589 1.00 . A A . 4 TYR CA 1 1 2 805 1 1 4 TYR CB C -2.246 -3.909 -1.406 1.00 . A A . 4 TYR CB 1 1 2 806 1 1 4 TYR CD1 C -2.331 -3.481 1.078 1.00 . A A . 4 TYR CD1 1 1 2 807 1 1 4 TYR CD2 C -4.276 -4.376 0.014 1.00 . A A . 4 TYR CD2 1 1 2 808 1 1 4 TYR CE1 C -3.018 -3.493 2.343 1.00 . A A . 4 TYR CE1 1 1 2 809 1 1 4 TYR CE2 C -4.962 -4.388 1.280 1.00 . A A . 4 TYR CE2 1 1 2 810 1 1 4 TYR CG C -2.975 -3.922 -0.061 1.00 . A A . 4 TYR CG 1 1 2 811 1 1 4 TYR CZ C -4.299 -3.946 2.382 1.00 . A A . 4 TYR CZ 1 1 2 812 1 1 4 TYR H H -0.575 -4.785 0.359 1.00 . A A . 4 TYR H 1 1 2 813 1 1 4 TYR HA H -1.673 -5.915 -2.127 1.00 . A A . 4 TYR HA 1 1 2 814 1 1 4 TYR HB2 H -1.710 -2.965 -1.507 1.00 . A A . 4 TYR HB2 1 1 2 815 1 1 4 TYR HB3 H -2.983 -3.944 -2.207 1.00 . A A . 4 TYR HB3 1 1 2 816 1 1 4 TYR HD1 H -1.303 -3.123 1.018 1.00 . A A . 4 TYR HD1 1 1 2 817 1 1 4 TYR HD2 H -4.784 -4.724 -0.885 1.00 . A A . 4 TYR HD2 1 1 2 818 1 1 4 TYR HE1 H -2.521 -3.147 3.250 1.00 . A A . 4 TYR HE1 1 1 2 819 1 1 4 TYR HE2 H -5.990 -4.744 1.354 1.00 . A A . 4 TYR HE2 1 1 2 820 1 1 4 TYR HH H -5.925 -3.803 3.438 1.00 . A A . 4 TYR HH 1 1 2 821 1 1 4 TYR N N -0.906 -5.505 -0.251 1.00 . A A . 4 TYR N 1 1 2 822 1 1 4 TYR O O 1.095 -4.657 -1.845 1.00 . A A . 4 TYR O 1 1 2 823 1 1 4 TYR OH O -4.947 -3.958 3.578 1.00 . A A . 4 TYR OH 1 1 2 824 1 1 5 VAL C C 0.322 -2.192 -5.030 1.00 . A A . 5 VAL C 1 1 2 825 1 1 5 VAL CA C 0.797 -3.473 -4.342 1.00 . A A . 5 VAL CA 1 1 2 826 1 1 5 VAL CB C 1.275 -4.540 -5.329 1.00 . A A . 5 VAL CB 1 1 2 827 1 1 5 VAL CG1 C 2.124 -3.918 -6.440 1.00 . A A . 5 VAL CG1 1 1 2 828 1 1 5 VAL CG2 C 2.043 -5.650 -4.608 1.00 . A A . 5 VAL CG2 1 1 2 829 1 1 5 VAL H H -1.192 -3.920 -3.914 1.00 . A A . 5 VAL H 1 1 2 830 1 1 5 VAL HA H 1.628 -3.229 -3.680 1.00 . A A . 5 VAL HA 1 1 2 831 1 1 5 VAL HB H 0.395 -4.987 -5.791 1.00 . A A . 5 VAL HB 1 1 2 832 1 1 5 VAL HG11 H 2.531 -2.966 -6.096 1.00 . A A . 5 VAL HG11 1 1 2 833 1 1 5 VAL HG12 H 2.942 -4.592 -6.693 1.00 . A A . 5 VAL HG12 1 1 2 834 1 1 5 VAL HG13 H 1.505 -3.751 -7.321 1.00 . A A . 5 VAL HG13 1 1 2 835 1 1 5 VAL HG21 H 3.098 -5.382 -4.549 1.00 . A A . 5 VAL HG21 1 1 2 836 1 1 5 VAL HG22 H 1.642 -5.774 -3.602 1.00 . A A . 5 VAL HG22 1 1 2 837 1 1 5 VAL HG23 H 1.935 -6.583 -5.160 1.00 . A A . 5 VAL HG23 1 1 2 838 1 1 5 VAL N N -0.277 -4.003 -3.519 1.00 . A A . 5 VAL N 1 1 2 839 1 1 5 VAL O O -0.855 -2.060 -5.360 1.00 . A A . 5 VAL O 1 1 2 840 1 1 6 CYS C C 0.073 -0.294 -7.086 1.00 . A A . 6 CYS C 1 1 2 841 1 1 6 CYS CA C 0.956 -0.013 -5.868 1.00 . A A . 6 CYS CA 1 1 2 842 1 1 6 CYS CB C 2.225 0.752 -6.248 1.00 . A A . 6 CYS CB 1 1 2 843 1 1 6 CYS H H 2.219 -1.395 -4.954 1.00 . A A . 6 CYS H 1 1 2 844 1 1 6 CYS HA H 0.421 0.589 -5.133 1.00 . A A . 6 CYS HA 1 1 2 845 1 1 6 CYS HB2 H 2.555 1.332 -5.386 1.00 . A A . 6 CYS HB2 1 1 2 846 1 1 6 CYS HB3 H 3.014 0.032 -6.468 1.00 . A A . 6 CYS HB3 1 1 2 847 1 1 6 CYS N N 1.263 -1.280 -5.225 1.00 . A A . 6 CYS N 1 1 2 848 1 1 6 CYS O O -0.931 0.384 -7.299 1.00 . A A . 6 CYS O 1 1 2 849 1 1 6 CYS SG S 2.044 1.878 -7.678 1.00 . A A . 6 CYS SG 1 1 2 850 1 1 7 THR C C -0.098 -0.613 -10.134 1.00 . A A . 7 THR C 1 1 2 851 1 1 7 THR CA C -0.262 -1.674 -9.044 1.00 . A A . 7 THR CA 1 1 2 852 1 1 7 THR CB C -1.718 -1.909 -8.639 1.00 . A A . 7 THR CB 1 1 2 853 1 1 7 THR CG2 C -2.489 -2.730 -9.675 1.00 . A A . 7 THR CG2 1 1 2 854 1 1 7 THR H H 1.297 -1.841 -7.673 1.00 . A A . 7 THR H 1 1 2 855 1 1 7 THR HA H 0.162 -2.600 -9.432 1.00 . A A . 7 THR HA 1 1 2 856 1 1 7 THR HB H -2.224 -0.965 -8.436 1.00 . A A . 7 THR HB 1 1 2 857 1 1 7 THR HG1 H -1.309 -3.676 -7.793 1.00 . A A . 7 THR HG1 1 1 2 858 1 1 7 THR HG21 H -3.270 -3.304 -9.176 1.00 . A A . 7 THR HG21 1 1 2 859 1 1 7 THR HG22 H -2.940 -2.061 -10.407 1.00 . A A . 7 THR HG22 1 1 2 860 1 1 7 THR HG23 H -1.804 -3.412 -10.180 1.00 . A A . 7 THR HG23 1 1 2 861 1 1 7 THR N N 0.480 -1.295 -7.853 1.00 . A A . 7 THR N 1 1 2 862 1 1 7 THR O O -1.039 -0.328 -10.874 1.00 . A A . 7 THR O 1 1 2 863 1 1 7 THR OG1 O -1.629 -2.773 -7.509 1.00 . A A . 7 THR OG1 1 1 2 864 1 1 8 VAL C C 2.897 0.938 -11.507 1.00 . A A . 8 VAL C 1 1 2 865 1 1 8 VAL CA C 1.401 0.967 -11.186 1.00 . A A . 8 VAL CA 1 1 2 866 1 1 8 VAL CB C 0.923 2.331 -10.686 1.00 . A A . 8 VAL CB 1 1 2 867 1 1 8 VAL CG1 C 0.649 3.278 -11.856 1.00 . A A . 8 VAL CG1 1 1 2 868 1 1 8 VAL CG2 C -0.313 2.187 -9.796 1.00 . A A . 8 VAL CG2 1 1 2 869 1 1 8 VAL H H 1.862 -0.294 -9.592 1.00 . A A . 8 VAL H 1 1 2 870 1 1 8 VAL HA H 0.843 0.724 -12.090 1.00 . A A . 8 VAL HA 1 1 2 871 1 1 8 VAL HB H 1.720 2.766 -10.083 1.00 . A A . 8 VAL HB 1 1 2 872 1 1 8 VAL HG11 H -0.337 3.728 -11.736 1.00 . A A . 8 VAL HG11 1 1 2 873 1 1 8 VAL HG12 H 1.406 4.062 -11.874 1.00 . A A . 8 VAL HG12 1 1 2 874 1 1 8 VAL HG13 H 0.682 2.719 -12.791 1.00 . A A . 8 VAL HG13 1 1 2 875 1 1 8 VAL HG21 H -0.104 1.478 -8.995 1.00 . A A . 8 VAL HG21 1 1 2 876 1 1 8 VAL HG22 H -0.567 3.156 -9.366 1.00 . A A . 8 VAL HG22 1 1 2 877 1 1 8 VAL HG23 H -1.150 1.825 -10.393 1.00 . A A . 8 VAL HG23 1 1 2 878 1 1 8 VAL N N 1.102 -0.057 -10.198 1.00 . A A . 8 VAL N 1 1 2 879 1 1 8 VAL O O 3.286 0.991 -12.672 1.00 . A A . 8 VAL O 1 1 2 880 1 1 9 CYS C C 5.661 -0.458 -9.944 1.00 . A A . 9 CYS C 1 1 2 881 1 1 9 CYS CA C 5.139 0.819 -10.607 1.00 . A A . 9 CYS CA 1 1 2 882 1 1 9 CYS CB C 5.801 2.072 -10.032 1.00 . A A . 9 CYS CB 1 1 2 883 1 1 9 CYS H H 3.370 0.812 -9.507 1.00 . A A . 9 CYS H 1 1 2 884 1 1 9 CYS HA H 5.338 0.808 -11.678 1.00 . A A . 9 CYS HA 1 1 2 885 1 1 9 CYS HB2 H 6.779 2.195 -10.497 1.00 . A A . 9 CYS HB2 1 1 2 886 1 1 9 CYS HB3 H 5.205 2.941 -10.311 1.00 . A A . 9 CYS HB3 1 1 2 887 1 1 9 CYS N N 3.694 0.855 -10.452 1.00 . A A . 9 CYS N 1 1 2 888 1 1 9 CYS O O 6.426 -1.207 -10.549 1.00 . A A . 9 CYS O 1 1 2 889 1 1 9 CYS SG S 6.011 2.065 -8.215 1.00 . A A . 9 CYS SG 1 1 2 890 1 1 10 GLY C C 6.064 -1.457 -6.537 1.00 . A A . 10 GLY C 1 1 2 891 1 1 10 GLY CA C 5.642 -1.838 -7.958 1.00 . A A . 10 GLY CA 1 1 2 892 1 1 10 GLY H H 4.605 -0.050 -8.225 1.00 . A A . 10 GLY H 1 1 2 893 1 1 10 GLY HA2 H 4.823 -2.556 -7.918 1.00 . A A . 10 GLY HA2 1 1 2 894 1 1 10 GLY HA3 H 6.471 -2.327 -8.469 1.00 . A A . 10 GLY HA3 1 1 2 895 1 1 10 GLY N N 5.227 -0.665 -8.709 1.00 . A A . 10 GLY N 1 1 2 896 1 1 10 GLY O O 7.217 -1.100 -6.303 1.00 . A A . 10 GLY O 1 1 2 897 1 1 11 TYR C C 4.383 -1.939 -3.309 1.00 . A A . 11 TYR C 1 1 2 898 1 1 11 TYR CA C 5.364 -1.217 -4.234 1.00 . A A . 11 TYR CA 1 1 2 899 1 1 11 TYR CB C 5.145 0.292 -4.112 1.00 . A A . 11 TYR CB 1 1 2 900 1 1 11 TYR CD1 C 6.294 0.701 -1.905 1.00 . A A . 11 TYR CD1 1 1 2 901 1 1 11 TYR CD2 C 4.013 1.377 -2.137 1.00 . A A . 11 TYR CD2 1 1 2 902 1 1 11 TYR CE1 C 6.300 1.186 -0.549 1.00 . A A . 11 TYR CE1 1 1 2 903 1 1 11 TYR CE2 C 4.019 1.861 -0.781 1.00 . A A . 11 TYR CE2 1 1 2 904 1 1 11 TYR CG C 5.151 0.807 -2.671 1.00 . A A . 11 TYR CG 1 1 2 905 1 1 11 TYR CZ C 5.162 1.742 -0.054 1.00 . A A . 11 TYR CZ 1 1 2 906 1 1 11 TYR H H 4.171 -1.839 -5.824 1.00 . A A . 11 TYR H 1 1 2 907 1 1 11 TYR HA H 6.379 -1.535 -3.996 1.00 . A A . 11 TYR HA 1 1 2 908 1 1 11 TYR HB2 H 5.923 0.809 -4.674 1.00 . A A . 11 TYR HB2 1 1 2 909 1 1 11 TYR HB3 H 4.193 0.550 -4.575 1.00 . A A . 11 TYR HB3 1 1 2 910 1 1 11 TYR HD1 H 7.193 0.251 -2.327 1.00 . A A . 11 TYR HD1 1 1 2 911 1 1 11 TYR HD2 H 3.110 1.460 -2.742 1.00 . A A . 11 TYR HD2 1 1 2 912 1 1 11 TYR HE1 H 7.196 1.108 0.067 1.00 . A A . 11 TYR HE1 1 1 2 913 1 1 11 TYR HE2 H 3.127 2.313 -0.347 1.00 . A A . 11 TYR HE2 1 1 2 914 1 1 11 TYR HH H 4.866 1.477 1.849 1.00 . A A . 11 TYR HH 1 1 2 915 1 1 11 TYR N N 5.106 -1.547 -5.626 1.00 . A A . 11 TYR N 1 1 2 916 1 1 11 TYR O O 3.210 -1.578 -3.238 1.00 . A A . 11 TYR O 1 1 2 917 1 1 11 TYR OH O 5.167 2.199 1.227 1.00 . A A . 11 TYR OH 1 1 2 918 1 1 12 GLU C C 4.105 -3.089 -0.310 1.00 . A A . 12 GLU C 1 1 2 919 1 1 12 GLU CA C 4.085 -3.723 -1.703 1.00 . A A . 12 GLU CA 1 1 2 920 1 1 12 GLU CB C 4.554 -5.178 -1.649 1.00 . A A . 12 GLU CB 1 1 2 921 1 1 12 GLU CD C 6.495 -6.705 -1.138 1.00 . A A . 12 GLU CD 1 1 2 922 1 1 12 GLU CG C 5.940 -5.285 -1.011 1.00 . A A . 12 GLU CG 1 1 2 923 1 1 12 GLU H H 5.857 -3.234 -2.684 1.00 . A A . 12 GLU H 1 1 2 924 1 1 12 GLU HA H 3.075 -3.688 -2.111 1.00 . A A . 12 GLU HA 1 1 2 925 1 1 12 GLU HB2 H 3.841 -5.773 -1.079 1.00 . A A . 12 GLU HB2 1 1 2 926 1 1 12 GLU HB3 H 4.581 -5.593 -2.657 1.00 . A A . 12 GLU HB3 1 1 2 927 1 1 12 GLU HE2 H 7.503 -7.977 -0.183 1.00 . A A . 12 GLU HE2 1 1 2 928 1 1 12 GLU HG2 H 6.620 -4.581 -1.490 1.00 . A A . 12 GLU HG2 1 1 2 929 1 1 12 GLU HG3 H 5.883 -5.006 0.041 1.00 . A A . 12 GLU HG3 1 1 2 930 1 1 12 GLU N N 4.901 -2.947 -2.621 1.00 . A A . 12 GLU N 1 1 2 931 1 1 12 GLU O O 5.167 -2.932 0.289 1.00 . A A . 12 GLU O 1 1 2 932 1 1 12 GLU OE1 O 6.017 -7.485 -1.975 1.00 . A A . 12 GLU OE1 1 1 2 933 1 1 12 GLU OE2 O 7.459 -6.989 -0.329 1.00 . A A . 12 GLU OE2 1 1 2 934 1 1 13 TYR C C 2.447 -3.176 2.538 1.00 . A A . 13 TYR C 1 1 2 935 1 1 13 TYR CA C 2.784 -2.129 1.474 1.00 . A A . 13 TYR CA 1 1 2 936 1 1 13 TYR CB C 1.622 -1.141 1.362 1.00 . A A . 13 TYR CB 1 1 2 937 1 1 13 TYR CD1 C 1.740 0.147 3.526 1.00 . A A . 13 TYR CD1 1 1 2 938 1 1 13 TYR CD2 C -0.197 -1.190 3.107 1.00 . A A . 13 TYR CD2 1 1 2 939 1 1 13 TYR CE1 C 1.188 0.549 4.794 1.00 . A A . 13 TYR CE1 1 1 2 940 1 1 13 TYR CE2 C -0.749 -0.788 4.375 1.00 . A A . 13 TYR CE2 1 1 2 941 1 1 13 TYR CG C 1.035 -0.714 2.709 1.00 . A A . 13 TYR CG 1 1 2 942 1 1 13 TYR CZ C -0.029 0.062 5.156 1.00 . A A . 13 TYR CZ 1 1 2 943 1 1 13 TYR H H 2.058 -2.874 -0.330 1.00 . A A . 13 TYR H 1 1 2 944 1 1 13 TYR HA H 3.736 -1.661 1.725 1.00 . A A . 13 TYR HA 1 1 2 945 1 1 13 TYR HB2 H 1.962 -0.254 0.828 1.00 . A A . 13 TYR HB2 1 1 2 946 1 1 13 TYR HB3 H 0.832 -1.592 0.760 1.00 . A A . 13 TYR HB3 1 1 2 947 1 1 13 TYR HD1 H 2.713 0.523 3.211 1.00 . A A . 13 TYR HD1 1 1 2 948 1 1 13 TYR HD2 H -0.753 -1.870 2.462 1.00 . A A . 13 TYR HD2 1 1 2 949 1 1 13 TYR HE1 H 1.733 1.229 5.449 1.00 . A A . 13 TYR HE1 1 1 2 950 1 1 13 TYR HE2 H -1.721 -1.156 4.702 1.00 . A A . 13 TYR HE2 1 1 2 951 1 1 13 TYR HH H 0.010 0.081 7.100 1.00 . A A . 13 TYR HH 1 1 2 952 1 1 13 TYR N N 2.917 -2.743 0.164 1.00 . A A . 13 TYR N 1 1 2 953 1 1 13 TYR O O 1.672 -4.097 2.284 1.00 . A A . 13 TYR O 1 1 2 954 1 1 13 TYR OH O -0.550 0.442 6.353 1.00 . A A . 13 TYR OH 1 1 2 955 1 1 14 ASP C C 2.018 -3.207 5.903 1.00 . A A . 14 ASP C 1 1 2 956 1 1 14 ASP CA C 2.818 -3.918 4.810 1.00 . A A . 14 ASP CA 1 1 2 957 1 1 14 ASP CB C 4.142 -4.384 5.420 1.00 . A A . 14 ASP CB 1 1 2 958 1 1 14 ASP CG C 4.173 -5.851 5.855 1.00 . A A . 14 ASP CG 1 1 2 959 1 1 14 ASP H H 3.674 -2.248 3.905 1.00 . A A . 14 ASP H 1 1 2 960 1 1 14 ASP HA H 2.277 -4.759 4.376 1.00 . A A . 14 ASP HA 1 1 2 961 1 1 14 ASP HB2 H 4.937 -4.219 4.694 1.00 . A A . 14 ASP HB2 1 1 2 962 1 1 14 ASP HB3 H 4.365 -3.760 6.285 1.00 . A A . 14 ASP HB3 1 1 2 963 1 1 14 ASP HD2 H 3.084 -7.221 6.550 1.00 . A A . 14 ASP HD2 1 1 2 964 1 1 14 ASP N N 3.045 -3.000 3.707 1.00 . A A . 14 ASP N 1 1 2 965 1 1 14 ASP O O 2.532 -2.310 6.570 1.00 . A A . 14 ASP O 1 1 2 966 1 1 14 ASP OD1 O 5.103 -6.597 5.517 1.00 . A A . 14 ASP OD1 1 1 2 967 1 1 14 ASP OD2 O 3.174 -6.226 6.580 1.00 . A A . 14 ASP OD2 1 1 2 968 1 1 15 PRO C C 0.235 -3.544 8.461 1.00 . A A . 15 PRO C 1 1 2 969 1 1 15 PRO CA C -0.136 -3.061 7.058 1.00 . A A . 15 PRO CA 1 1 2 970 1 1 15 PRO CB C -1.539 -3.472 6.641 1.00 . A A . 15 PRO CB 1 1 2 971 1 1 15 PRO CD C 0.098 -4.706 5.286 1.00 . A A . 15 PRO CD 1 1 2 972 1 1 15 PRO CG C -1.365 -4.650 5.696 1.00 . A A . 15 PRO CG 1 1 2 973 1 1 15 PRO HA H -0.031 -2.067 7.074 1.00 . A A . 15 PRO HA 1 1 2 974 1 1 15 PRO HB2 H -2.138 -3.752 7.507 1.00 . A A . 15 PRO HB2 1 1 2 975 1 1 15 PRO HB3 H -2.057 -2.649 6.148 1.00 . A A . 15 PRO HB3 1 1 2 976 1 1 15 PRO HD2 H 0.535 -5.679 5.510 1.00 . A A . 15 PRO HD2 1 1 2 977 1 1 15 PRO HD3 H 0.215 -4.543 4.214 1.00 . A A . 15 PRO HD3 1 1 2 978 1 1 15 PRO HG2 H -1.660 -5.578 6.184 1.00 . A A . 15 PRO HG2 1 1 2 979 1 1 15 PRO HG3 H -2.003 -4.534 4.819 1.00 . A A . 15 PRO HG3 1 1 2 980 1 1 15 PRO N N 0.740 -3.646 6.057 1.00 . A A . 15 PRO N 1 1 2 981 1 1 15 PRO O O 0.028 -2.831 9.442 1.00 . A A . 15 PRO O 1 1 2 982 1 1 16 ALA C C 2.443 -4.635 10.284 1.00 . A A . 16 ALA C 1 1 2 983 1 1 16 ALA CA C 1.181 -5.338 9.780 1.00 . A A . 16 ALA CA 1 1 2 984 1 1 16 ALA CB C 1.383 -6.844 9.604 1.00 . A A . 16 ALA CB 1 1 2 985 1 1 16 ALA H H 0.944 -5.325 7.710 1.00 . A A . 16 ALA H 1 1 2 986 1 1 16 ALA HA H 0.373 -5.173 10.493 1.00 . A A . 16 ALA HA 1 1 2 987 1 1 16 ALA HB1 H 0.412 -7.337 9.551 1.00 . A A . 16 ALA HB1 1 1 2 988 1 1 16 ALA HB2 H 1.936 -7.032 8.684 1.00 . A A . 16 ALA HB2 1 1 2 989 1 1 16 ALA HB3 H 1.944 -7.237 10.452 1.00 . A A . 16 ALA HB3 1 1 2 990 1 1 16 ALA N N 0.778 -4.752 8.513 1.00 . A A . 16 ALA N 1 1 2 991 1 1 16 ALA O O 2.908 -4.904 11.390 1.00 . A A . 16 ALA O 1 1 2 992 1 1 17 GLU C C 3.867 -1.502 9.813 1.00 . A A . 17 GLU C 1 1 2 993 1 1 17 GLU CA C 4.161 -3.004 9.795 1.00 . A A . 17 GLU CA 1 1 2 994 1 1 17 GLU CB C 5.304 -3.328 8.832 1.00 . A A . 17 GLU CB 1 1 2 995 1 1 17 GLU CD C 7.634 -3.993 9.533 1.00 . A A . 17 GLU CD 1 1 2 996 1 1 17 GLU CG C 6.643 -2.836 9.386 1.00 . A A . 17 GLU CG 1 1 2 997 1 1 17 GLU H H 2.577 -3.534 8.550 1.00 . A A . 17 GLU H 1 1 2 998 1 1 17 GLU HA H 4.430 -3.341 10.796 1.00 . A A . 17 GLU HA 1 1 2 999 1 1 17 GLU HB2 H 5.350 -4.404 8.664 1.00 . A A . 17 GLU HB2 1 1 2 1000 1 1 17 GLU HB3 H 5.114 -2.862 7.865 1.00 . A A . 17 GLU HB3 1 1 2 1001 1 1 17 GLU HE2 H 9.334 -3.973 8.723 1.00 . A A . 17 GLU HE2 1 1 2 1002 1 1 17 GLU HG2 H 7.060 -2.079 8.721 1.00 . A A . 17 GLU HG2 1 1 2 1003 1 1 17 GLU HG3 H 6.488 -2.360 10.354 1.00 . A A . 17 GLU HG3 1 1 2 1004 1 1 17 GLU N N 2.961 -3.748 9.448 1.00 . A A . 17 GLU N 1 1 2 1005 1 1 17 GLU O O 4.077 -0.838 10.827 1.00 . A A . 17 GLU O 1 1 2 1006 1 1 17 GLU OE1 O 7.218 -5.158 9.624 1.00 . A A . 17 GLU OE1 1 1 2 1007 1 1 17 GLU OE2 O 8.876 -3.648 9.551 1.00 . A A . 17 GLU OE2 1 1 2 1008 1 1 18 GLY C C 3.913 1.061 7.465 1.00 . A A . 18 GLY C 1 1 2 1009 1 1 18 GLY CA C 3.064 0.399 8.552 1.00 . A A . 18 GLY CA 1 1 2 1010 1 1 18 GLY H H 3.221 -1.559 7.860 1.00 . A A . 18 GLY H 1 1 2 1011 1 1 18 GLY HA2 H 2.007 0.513 8.313 1.00 . A A . 18 GLY HA2 1 1 2 1012 1 1 18 GLY HA3 H 3.231 0.901 9.505 1.00 . A A . 18 GLY HA3 1 1 2 1013 1 1 18 GLY N N 3.388 -1.012 8.680 1.00 . A A . 18 GLY N 1 1 2 1014 1 1 18 GLY O O 4.226 0.437 6.452 1.00 . A A . 18 GLY O 1 1 2 1015 1 1 19 ASP C C 5.531 4.370 7.423 1.00 . A A . 19 ASP C 1 1 2 1016 1 1 19 ASP CA C 5.068 3.068 6.768 1.00 . A A . 19 ASP CA 1 1 2 1017 1 1 19 ASP CB C 4.261 3.428 5.519 1.00 . A A . 19 ASP CB 1 1 2 1018 1 1 19 ASP CG C 5.081 3.562 4.235 1.00 . A A . 19 ASP CG 1 1 2 1019 1 1 19 ASP H H 4.003 2.814 8.540 1.00 . A A . 19 ASP H 1 1 2 1020 1 1 19 ASP HA H 5.899 2.410 6.513 1.00 . A A . 19 ASP HA 1 1 2 1021 1 1 19 ASP HB2 H 3.497 2.666 5.366 1.00 . A A . 19 ASP HB2 1 1 2 1022 1 1 19 ASP HB3 H 3.741 4.369 5.700 1.00 . A A . 19 ASP HB3 1 1 2 1023 1 1 19 ASP HD2 H 5.367 1.701 4.230 1.00 . A A . 19 ASP HD2 1 1 2 1024 1 1 19 ASP N N 4.261 2.315 7.713 1.00 . A A . 19 ASP N 1 1 2 1025 1 1 19 ASP O O 4.714 5.148 7.912 1.00 . A A . 19 ASP O 1 1 2 1026 1 1 19 ASP OD1 O 5.014 4.585 3.537 1.00 . A A . 19 ASP OD1 1 1 2 1027 1 1 19 ASP OD2 O 5.825 2.546 3.954 1.00 . A A . 19 ASP OD2 1 1 2 1028 1 1 20 PRO C C 7.232 6.986 7.101 1.00 . A A . 20 PRO C 1 1 2 1029 1 1 20 PRO CA C 7.458 5.767 7.999 1.00 . A A . 20 PRO CA 1 1 2 1030 1 1 20 PRO CB C 8.929 5.435 8.191 1.00 . A A . 20 PRO CB 1 1 2 1031 1 1 20 PRO CD C 7.875 3.673 6.842 1.00 . A A . 20 PRO CD 1 1 2 1032 1 1 20 PRO CG C 9.210 4.249 7.283 1.00 . A A . 20 PRO CG 1 1 2 1033 1 1 20 PRO HA H 7.010 5.981 8.867 1.00 . A A . 20 PRO HA 1 1 2 1034 1 1 20 PRO HB2 H 9.559 6.286 7.929 1.00 . A A . 20 PRO HB2 1 1 2 1035 1 1 20 PRO HB3 H 9.141 5.190 9.232 1.00 . A A . 20 PRO HB3 1 1 2 1036 1 1 20 PRO HD2 H 7.799 3.635 5.755 1.00 . A A . 20 PRO HD2 1 1 2 1037 1 1 20 PRO HD3 H 7.744 2.654 7.206 1.00 . A A . 20 PRO HD3 1 1 2 1038 1 1 20 PRO HG2 H 9.796 4.561 6.418 1.00 . A A . 20 PRO HG2 1 1 2 1039 1 1 20 PRO HG3 H 9.796 3.496 7.810 1.00 . A A . 20 PRO HG3 1 1 2 1040 1 1 20 PRO N N 6.876 4.573 7.412 1.00 . A A . 20 PRO N 1 1 2 1041 1 1 20 PRO O O 7.002 8.089 7.593 1.00 . A A . 20 PRO O 1 1 2 1042 1 1 21 ASP C C 5.933 8.680 5.264 1.00 . A A . 21 ASP C 1 1 2 1043 1 1 21 ASP CA C 7.113 7.807 4.830 1.00 . A A . 21 ASP CA 1 1 2 1044 1 1 21 ASP CB C 6.796 7.238 3.445 1.00 . A A . 21 ASP CB 1 1 2 1045 1 1 21 ASP CG C 7.462 7.970 2.278 1.00 . A A . 21 ASP CG 1 1 2 1046 1 1 21 ASP H H 7.494 5.843 5.409 1.00 . A A . 21 ASP H 1 1 2 1047 1 1 21 ASP HA H 8.054 8.356 4.815 1.00 . A A . 21 ASP HA 1 1 2 1048 1 1 21 ASP HB2 H 7.101 6.192 3.421 1.00 . A A . 21 ASP HB2 1 1 2 1049 1 1 21 ASP HB3 H 5.716 7.259 3.299 1.00 . A A . 21 ASP HB3 1 1 2 1050 1 1 21 ASP HD2 H 8.714 7.208 1.095 1.00 . A A . 21 ASP HD2 1 1 2 1051 1 1 21 ASP N N 7.306 6.744 5.801 1.00 . A A . 21 ASP N 1 1 2 1052 1 1 21 ASP O O 6.048 9.903 5.316 1.00 . A A . 21 ASP O 1 1 2 1053 1 1 21 ASP OD1 O 6.859 8.853 1.650 1.00 . A A . 21 ASP OD1 1 1 2 1054 1 1 21 ASP OD2 O 8.668 7.594 2.016 1.00 . A A . 21 ASP OD2 1 1 2 1055 1 1 22 ASN C C 3.365 8.415 7.468 1.00 . A A . 22 ASN C 1 1 2 1056 1 1 22 ASN CA C 3.627 8.716 5.991 1.00 . A A . 22 ASN CA 1 1 2 1057 1 1 22 ASN CB C 2.406 8.255 5.191 1.00 . A A . 22 ASN CB 1 1 2 1058 1 1 22 ASN CG C 2.333 8.972 3.842 1.00 . A A . 22 ASN CG 1 1 2 1059 1 1 22 ASN H H 4.742 7.021 5.518 1.00 . A A . 22 ASN H 1 1 2 1060 1 1 22 ASN HA H 3.831 9.771 5.810 1.00 . A A . 22 ASN HA 1 1 2 1061 1 1 22 ASN HB2 H 2.456 7.178 5.033 1.00 . A A . 22 ASN HB2 1 1 2 1062 1 1 22 ASN HB3 H 1.498 8.452 5.761 1.00 . A A . 22 ASN HB3 1 1 2 1063 1 1 22 ASN HD21 H 3.859 7.810 3.195 1.00 . A A . 22 ASN HD21 1 1 2 1064 1 1 22 ASN HD22 H 3.253 8.948 2.038 1.00 . A A . 22 ASN HD22 1 1 2 1065 1 1 22 ASN N N 4.826 8.016 5.563 1.00 . A A . 22 ASN N 1 1 2 1066 1 1 22 ASN ND2 N 3.222 8.541 2.951 1.00 . A A . 22 ASN ND2 1 1 2 1067 1 1 22 ASN O O 2.215 8.373 7.903 1.00 . A A . 22 ASN O 1 1 2 1068 1 1 22 ASN OD1 O 1.523 9.858 3.623 1.00 . A A . 22 ASN OD1 1 1 2 1069 1 1 23 GLY C C 3.110 7.079 9.920 1.00 . A A . 23 GLY C 1 1 2 1070 1 1 23 GLY CA C 4.354 7.917 9.618 1.00 . A A . 23 GLY CA 1 1 2 1071 1 1 23 GLY H H 5.383 8.249 7.838 1.00 . A A . 23 GLY H 1 1 2 1072 1 1 23 GLY HA2 H 5.246 7.381 9.944 1.00 . A A . 23 GLY HA2 1 1 2 1073 1 1 23 GLY HA3 H 4.316 8.847 10.186 1.00 . A A . 23 GLY HA3 1 1 2 1074 1 1 23 GLY N N 4.452 8.213 8.199 1.00 . A A . 23 GLY N 1 1 2 1075 1 1 23 GLY O O 2.064 7.619 10.276 1.00 . A A . 23 GLY O 1 1 2 1076 1 1 24 VAL C C 2.593 3.832 11.072 1.00 . A A . 24 VAL C 1 1 2 1077 1 1 24 VAL CA C 2.167 4.854 10.016 1.00 . A A . 24 VAL CA 1 1 2 1078 1 1 24 VAL CB C 1.716 4.206 8.705 1.00 . A A . 24 VAL CB 1 1 2 1079 1 1 24 VAL CG1 C 1.057 2.849 8.962 1.00 . A A . 24 VAL CG1 1 1 2 1080 1 1 24 VAL CG2 C 0.778 5.133 7.929 1.00 . A A . 24 VAL CG2 1 1 2 1081 1 1 24 VAL H H 4.119 5.340 9.475 1.00 . A A . 24 VAL H 1 1 2 1082 1 1 24 VAL HA H 1.334 5.437 10.408 1.00 . A A . 24 VAL HA 1 1 2 1083 1 1 24 VAL HB H 2.602 4.038 8.093 1.00 . A A . 24 VAL HB 1 1 2 1084 1 1 24 VAL HG11 H 0.826 2.372 8.010 1.00 . A A . 24 VAL HG11 1 1 2 1085 1 1 24 VAL HG12 H 1.739 2.216 9.530 1.00 . A A . 24 VAL HG12 1 1 2 1086 1 1 24 VAL HG13 H 0.137 2.994 9.529 1.00 . A A . 24 VAL HG13 1 1 2 1087 1 1 24 VAL HG21 H -0.204 4.669 7.845 1.00 . A A . 24 VAL HG21 1 1 2 1088 1 1 24 VAL HG22 H 0.688 6.083 8.457 1.00 . A A . 24 VAL HG22 1 1 2 1089 1 1 24 VAL HG23 H 1.184 5.309 6.933 1.00 . A A . 24 VAL HG23 1 1 2 1090 1 1 24 VAL N N 3.265 5.772 9.765 1.00 . A A . 24 VAL N 1 1 2 1091 1 1 24 VAL O O 3.785 3.608 11.279 1.00 . A A . 24 VAL O 1 1 2 1092 1 1 25 LYS C C 1.611 0.849 12.168 1.00 . A A . 25 LYS C 1 1 2 1093 1 1 25 LYS CA C 1.853 2.247 12.742 1.00 . A A . 25 LYS CA 1 1 2 1094 1 1 25 LYS CB C 1.029 2.549 13.995 1.00 . A A . 25 LYS CB 1 1 2 1095 1 1 25 LYS CD C 0.834 4.694 15.307 1.00 . A A . 25 LYS CD 1 1 2 1096 1 1 25 LYS CE C -0.021 4.313 16.518 1.00 . A A . 25 LYS CE 1 1 2 1097 1 1 25 LYS CG C 1.757 3.542 14.903 1.00 . A A . 25 LYS CG 1 1 2 1098 1 1 25 LYS H H 0.630 3.427 11.538 1.00 . A A . 25 LYS H 1 1 2 1099 1 1 25 LYS HA H 2.904 2.329 13.020 1.00 . A A . 25 LYS HA 1 1 2 1100 1 1 25 LYS HB2 H 0.060 2.955 13.708 1.00 . A A . 25 LYS HB2 1 1 2 1101 1 1 25 LYS HB3 H 0.838 1.624 14.540 1.00 . A A . 25 LYS HB3 1 1 2 1102 1 1 25 LYS HD2 H 1.428 5.577 15.540 1.00 . A A . 25 LYS HD2 1 1 2 1103 1 1 25 LYS HD3 H 0.187 4.957 14.469 1.00 . A A . 25 LYS HD3 1 1 2 1104 1 1 25 LYS HE2 H -0.143 3.231 16.558 1.00 . A A . 25 LYS HE2 1 1 2 1105 1 1 25 LYS HE3 H 0.487 4.611 17.436 1.00 . A A . 25 LYS HE3 1 1 2 1106 1 1 25 LYS HG2 H 2.115 3.029 15.796 1.00 . A A . 25 LYS HG2 1 1 2 1107 1 1 25 LYS HG3 H 2.633 3.937 14.389 1.00 . A A . 25 LYS HG3 1 1 2 1108 1 1 25 LYS HZ1 H -2.037 4.374 15.995 1.00 . A A . 25 LYS HZ1 1 1 2 1109 1 1 25 LYS HZ3 H -1.314 5.831 15.914 1.00 . A A . 25 LYS HZ3 1 1 2 1110 1 1 25 LYS N N 1.596 3.239 11.712 1.00 . A A . 25 LYS N 1 1 2 1111 1 1 25 LYS NZ N -1.346 4.967 16.443 1.00 . A A . 25 LYS NZ 1 1 2 1112 1 1 25 LYS O O 0.958 0.702 11.136 1.00 . A A . 25 LYS O 1 1 2 1113 1 1 26 PRO C C 0.603 -2.064 12.747 1.00 . A A . 26 PRO C 1 1 2 1114 1 1 26 PRO CA C 2.014 -1.549 12.454 1.00 . A A . 26 PRO CA 1 1 2 1115 1 1 26 PRO CB C 3.093 -2.313 13.205 1.00 . A A . 26 PRO CB 1 1 2 1116 1 1 26 PRO CD C 2.943 -0.032 14.108 1.00 . A A . 26 PRO CD 1 1 2 1117 1 1 26 PRO CG C 3.501 -1.422 14.368 1.00 . A A . 26 PRO CG 1 1 2 1118 1 1 26 PRO HA H 2.131 -1.621 11.464 1.00 . A A . 26 PRO HA 1 1 2 1119 1 1 26 PRO HB2 H 2.717 -3.272 13.561 1.00 . A A . 26 PRO HB2 1 1 2 1120 1 1 26 PRO HB3 H 3.944 -2.524 12.558 1.00 . A A . 26 PRO HB3 1 1 2 1121 1 1 26 PRO HD2 H 2.321 0.306 14.937 1.00 . A A . 26 PRO HD2 1 1 2 1122 1 1 26 PRO HD3 H 3.742 0.700 13.991 1.00 . A A . 26 PRO HD3 1 1 2 1123 1 1 26 PRO HG2 H 3.115 -1.820 15.306 1.00 . A A . 26 PRO HG2 1 1 2 1124 1 1 26 PRO HG3 H 4.587 -1.387 14.459 1.00 . A A . 26 PRO HG3 1 1 2 1125 1 1 26 PRO N N 2.164 -0.169 12.881 1.00 . A A . 26 PRO N 1 1 2 1126 1 1 26 PRO O O -0.039 -1.618 13.697 1.00 . A A . 26 PRO O 1 1 2 1127 1 1 27 GLY C C -2.225 -2.700 11.411 1.00 . A A . 27 GLY C 1 1 2 1128 1 1 27 GLY CA C -1.160 -3.576 12.073 1.00 . A A . 27 GLY CA 1 1 2 1129 1 1 27 GLY H H 0.692 -3.353 11.145 1.00 . A A . 27 GLY H 1 1 2 1130 1 1 27 GLY HA2 H -1.179 -4.573 11.632 1.00 . A A . 27 GLY HA2 1 1 2 1131 1 1 27 GLY HA3 H -1.386 -3.691 13.133 1.00 . A A . 27 GLY HA3 1 1 2 1132 1 1 27 GLY N N 0.163 -2.996 11.914 1.00 . A A . 27 GLY N 1 1 2 1133 1 1 27 GLY O O -3.379 -3.108 11.284 1.00 . A A . 27 GLY O 1 1 2 1134 1 1 28 THR C C -3.060 -1.059 8.953 1.00 . A A . 28 THR C 1 1 2 1135 1 1 28 THR CA C -2.705 -0.575 10.360 1.00 . A A . 28 THR CA 1 1 2 1136 1 1 28 THR CB C -2.046 0.806 10.379 1.00 . A A . 28 THR CB 1 1 2 1137 1 1 28 THR CG2 C -2.976 1.905 9.861 1.00 . A A . 28 THR CG2 1 1 2 1138 1 1 28 THR H H -0.861 -1.187 11.113 1.00 . A A . 28 THR H 1 1 2 1139 1 1 28 THR HA H -3.633 -0.543 10.931 1.00 . A A . 28 THR HA 1 1 2 1140 1 1 28 THR HB H -1.107 0.797 9.826 1.00 . A A . 28 THR HB 1 1 2 1141 1 1 28 THR HG1 H -1.088 1.669 11.910 1.00 . A A . 28 THR HG1 1 1 2 1142 1 1 28 THR HG21 H -2.662 2.868 10.265 1.00 . A A . 28 THR HG21 1 1 2 1143 1 1 28 THR HG22 H -2.930 1.937 8.772 1.00 . A A . 28 THR HG22 1 1 2 1144 1 1 28 THR HG23 H -3.998 1.695 10.175 1.00 . A A . 28 THR HG23 1 1 2 1145 1 1 28 THR N N -1.801 -1.512 11.006 1.00 . A A . 28 THR N 1 1 2 1146 1 1 28 THR O O -2.190 -1.515 8.212 1.00 . A A . 28 THR O 1 1 2 1147 1 1 28 THR OG1 O -1.899 1.102 11.765 1.00 . A A . 28 THR OG1 1 1 2 1148 1 1 29 SER C C -4.658 -0.226 6.313 1.00 . A A . 29 SER C 1 1 2 1149 1 1 29 SER CA C -4.820 -1.365 7.323 1.00 . A A . 29 SER CA 1 1 2 1150 1 1 29 SER CB C -6.282 -1.810 7.392 1.00 . A A . 29 SER CB 1 1 2 1151 1 1 29 SER H H -5.040 -0.572 9.236 1.00 . A A . 29 SER H 1 1 2 1152 1 1 29 SER HA H -4.195 -2.214 7.045 1.00 . A A . 29 SER HA 1 1 2 1153 1 1 29 SER HB2 H -6.488 -2.506 6.578 1.00 . A A . 29 SER HB2 1 1 2 1154 1 1 29 SER HB3 H -6.453 -2.349 8.323 1.00 . A A . 29 SER HB3 1 1 2 1155 1 1 29 SER HG H -7.692 -0.746 6.452 1.00 . A A . 29 SER HG 1 1 2 1156 1 1 29 SER N N -4.339 -0.944 8.628 1.00 . A A . 29 SER N 1 1 2 1157 1 1 29 SER O O -4.763 0.945 6.672 1.00 . A A . 29 SER O 1 1 2 1158 1 1 29 SER OG O -7.180 -0.707 7.310 1.00 . A A . 29 SER OG 1 1 2 1159 1 1 30 PHE C C -5.398 1.351 3.969 1.00 . A A . 30 PHE C 1 1 2 1160 1 1 30 PHE CA C -4.230 0.363 4.007 1.00 . A A . 30 PHE CA 1 1 2 1161 1 1 30 PHE CB C -4.193 -0.415 2.690 1.00 . A A . 30 PHE CB 1 1 2 1162 1 1 30 PHE CD1 C -4.657 1.135 0.778 1.00 . A A . 30 PHE CD1 1 1 2 1163 1 1 30 PHE CD2 C -2.432 0.442 1.129 1.00 . A A . 30 PHE CD2 1 1 2 1164 1 1 30 PHE CE1 C -4.240 1.908 -0.337 1.00 . A A . 30 PHE CE1 1 1 2 1165 1 1 30 PHE CE2 C -2.016 1.216 0.013 1.00 . A A . 30 PHE CE2 1 1 2 1166 1 1 30 PHE CG C -3.744 0.418 1.488 1.00 . A A . 30 PHE CG 1 1 2 1167 1 1 30 PHE CZ C -2.928 1.932 -0.696 1.00 . A A . 30 PHE CZ 1 1 2 1168 1 1 30 PHE H H -4.324 -1.566 4.787 1.00 . A A . 30 PHE H 1 1 2 1169 1 1 30 PHE HA H -3.306 0.903 4.213 1.00 . A A . 30 PHE HA 1 1 2 1170 1 1 30 PHE HB2 H -3.520 -1.265 2.801 1.00 . A A . 30 PHE HB2 1 1 2 1171 1 1 30 PHE HB3 H -5.186 -0.818 2.489 1.00 . A A . 30 PHE HB3 1 1 2 1172 1 1 30 PHE HD1 H -5.708 1.116 1.066 1.00 . A A . 30 PHE HD1 1 1 2 1173 1 1 30 PHE HD2 H -1.701 -0.132 1.698 1.00 . A A . 30 PHE HD2 1 1 2 1174 1 1 30 PHE HE1 H -4.971 2.482 -0.906 1.00 . A A . 30 PHE HE1 1 1 2 1175 1 1 30 PHE HE2 H -0.965 1.235 -0.275 1.00 . A A . 30 PHE HE2 1 1 2 1176 1 1 30 PHE HZ H -2.609 2.526 -1.553 1.00 . A A . 30 PHE HZ 1 1 2 1177 1 1 30 PHE N N -4.407 -0.611 5.071 1.00 . A A . 30 PHE N 1 1 2 1178 1 1 30 PHE O O -5.189 2.562 3.924 1.00 . A A . 30 PHE O 1 1 2 1179 1 1 31 ASP C C -7.736 2.653 5.079 1.00 . A A . 31 ASP C 1 1 2 1180 1 1 31 ASP CA C -7.802 1.614 3.958 1.00 . A A . 31 ASP CA 1 1 2 1181 1 1 31 ASP CB C -9.054 0.763 4.175 1.00 . A A . 31 ASP CB 1 1 2 1182 1 1 31 ASP CG C -9.941 0.589 2.940 1.00 . A A . 31 ASP CG 1 1 2 1183 1 1 31 ASP H H -6.762 -0.189 4.026 1.00 . A A . 31 ASP H 1 1 2 1184 1 1 31 ASP HA H -7.813 2.070 2.967 1.00 . A A . 31 ASP HA 1 1 2 1185 1 1 31 ASP HB2 H -8.748 -0.223 4.525 1.00 . A A . 31 ASP HB2 1 1 2 1186 1 1 31 ASP HB3 H -9.648 1.213 4.970 1.00 . A A . 31 ASP HB3 1 1 2 1187 1 1 31 ASP HD2 H -11.794 0.256 2.949 1.00 . A A . 31 ASP HD2 1 1 2 1188 1 1 31 ASP N N -6.601 0.797 3.989 1.00 . A A . 31 ASP N 1 1 2 1189 1 1 31 ASP O O -8.300 3.740 4.957 1.00 . A A . 31 ASP O 1 1 2 1190 1 1 31 ASP OD1 O -9.700 1.202 1.890 1.00 . A A . 31 ASP OD1 1 1 2 1191 1 1 31 ASP OD2 O -10.930 -0.226 3.089 1.00 . A A . 31 ASP OD2 1 1 2 1192 1 1 32 ASP C C -5.984 4.336 6.909 1.00 . A A . 32 ASP C 1 1 2 1193 1 1 32 ASP CA C -6.897 3.168 7.288 1.00 . A A . 32 ASP CA 1 1 2 1194 1 1 32 ASP CB C -6.263 2.438 8.474 1.00 . A A . 32 ASP CB 1 1 2 1195 1 1 32 ASP CG C -6.823 2.823 9.844 1.00 . A A . 32 ASP CG 1 1 2 1196 1 1 32 ASP H H -6.588 1.397 6.237 1.00 . A A . 32 ASP H 1 1 2 1197 1 1 32 ASP HA H -7.909 3.492 7.531 1.00 . A A . 32 ASP HA 1 1 2 1198 1 1 32 ASP HB2 H -6.393 1.365 8.332 1.00 . A A . 32 ASP HB2 1 1 2 1199 1 1 32 ASP HB3 H -5.190 2.632 8.469 1.00 . A A . 32 ASP HB3 1 1 2 1200 1 1 32 ASP HD2 H -5.660 4.116 10.566 1.00 . A A . 32 ASP HD2 1 1 2 1201 1 1 32 ASP N N -7.044 2.282 6.146 1.00 . A A . 32 ASP N 1 1 2 1202 1 1 32 ASP O O -6.113 5.431 7.452 1.00 . A A . 32 ASP O 1 1 2 1203 1 1 32 ASP OD1 O -7.451 2.002 10.531 1.00 . A A . 32 ASP OD1 1 1 2 1204 1 1 32 ASP OD2 O -6.590 4.038 10.207 1.00 . A A . 32 ASP OD2 1 1 2 1205 1 1 33 LEU C C -4.922 6.329 5.111 1.00 . A A . 33 LEU C 1 1 2 1206 1 1 33 LEU CA C -4.147 5.075 5.519 1.00 . A A . 33 LEU CA 1 1 2 1207 1 1 33 LEU CB C -3.252 4.517 4.411 1.00 . A A . 33 LEU CB 1 1 2 1208 1 1 33 LEU CD1 C -1.812 2.642 3.534 1.00 . A A . 33 LEU CD1 1 1 2 1209 1 1 33 LEU CD2 C -1.326 3.671 5.802 1.00 . A A . 33 LEU CD2 1 1 2 1210 1 1 33 LEU CG C -2.405 3.298 4.783 1.00 . A A . 33 LEU CG 1 1 2 1211 1 1 33 LEU H H -4.983 3.167 5.541 1.00 . A A . 33 LEU H 1 1 2 1212 1 1 33 LEU HA H -3.500 5.327 6.360 1.00 . A A . 33 LEU HA 1 1 2 1213 1 1 33 LEU HB2 H -3.882 4.251 3.562 1.00 . A A . 33 LEU HB2 1 1 2 1214 1 1 33 LEU HB3 H -2.585 5.310 4.076 1.00 . A A . 33 LEU HB3 1 1 2 1215 1 1 33 LEU HD11 H -1.243 3.381 2.970 1.00 . A A . 33 LEU HD11 1 1 2 1216 1 1 33 LEU HD12 H -1.153 1.825 3.831 1.00 . A A . 33 LEU HD12 1 1 2 1217 1 1 33 LEU HD13 H -2.617 2.251 2.912 1.00 . A A . 33 LEU HD13 1 1 2 1218 1 1 33 LEU HD21 H -1.134 4.743 5.752 1.00 . A A . 33 LEU HD21 1 1 2 1219 1 1 33 LEU HD22 H -1.667 3.409 6.803 1.00 . A A . 33 LEU HD22 1 1 2 1220 1 1 33 LEU HD23 H -0.409 3.126 5.576 1.00 . A A . 33 LEU HD23 1 1 2 1221 1 1 33 LEU HG H -3.054 2.562 5.256 1.00 . A A . 33 LEU HG 1 1 2 1222 1 1 33 LEU N N -5.081 4.061 5.978 1.00 . A A . 33 LEU N 1 1 2 1223 1 1 33 LEU O O -6.112 6.257 4.809 1.00 . A A . 33 LEU O 1 1 2 1224 1 1 34 PRO C C -5.008 8.842 3.235 1.00 . A A . 34 PRO C 1 1 2 1225 1 1 34 PRO CA C -4.803 8.748 4.749 1.00 . A A . 34 PRO CA 1 1 2 1226 1 1 34 PRO CB C -3.855 9.808 5.287 1.00 . A A . 34 PRO CB 1 1 2 1227 1 1 34 PRO CD C -2.785 7.603 5.467 1.00 . A A . 34 PRO CD 1 1 2 1228 1 1 34 PRO CG C -2.530 9.101 5.522 1.00 . A A . 34 PRO CG 1 1 2 1229 1 1 34 PRO HA H -5.715 8.827 5.153 1.00 . A A . 34 PRO HA 1 1 2 1230 1 1 34 PRO HB2 H -3.740 10.626 4.576 1.00 . A A . 34 PRO HB2 1 1 2 1231 1 1 34 PRO HB3 H -4.237 10.240 6.212 1.00 . A A . 34 PRO HB3 1 1 2 1232 1 1 34 PRO HD2 H -2.149 7.120 4.726 1.00 . A A . 34 PRO HD2 1 1 2 1233 1 1 34 PRO HD3 H -2.573 7.130 6.426 1.00 . A A . 34 PRO HD3 1 1 2 1234 1 1 34 PRO HG2 H -1.802 9.392 4.765 1.00 . A A . 34 PRO HG2 1 1 2 1235 1 1 34 PRO HG3 H -2.114 9.382 6.489 1.00 . A A . 34 PRO HG3 1 1 2 1236 1 1 34 PRO N N -4.197 7.480 5.115 1.00 . A A . 34 PRO N 1 1 2 1237 1 1 34 PRO O O -4.424 8.069 2.478 1.00 . A A . 34 PRO O 1 1 2 1238 1 1 35 ALA C C -4.907 10.620 0.750 1.00 . A A . 35 ALA C 1 1 2 1239 1 1 35 ALA CA C -6.128 9.999 1.431 1.00 . A A . 35 ALA CA 1 1 2 1240 1 1 35 ALA CB C -7.380 10.866 1.287 1.00 . A A . 35 ALA CB 1 1 2 1241 1 1 35 ALA H H -6.310 10.419 3.463 1.00 . A A . 35 ALA H 1 1 2 1242 1 1 35 ALA HA H -6.324 9.023 0.988 1.00 . A A . 35 ALA HA 1 1 2 1243 1 1 35 ALA HB1 H -7.511 11.144 0.241 1.00 . A A . 35 ALA HB1 1 1 2 1244 1 1 35 ALA HB2 H -8.251 10.305 1.626 1.00 . A A . 35 ALA HB2 1 1 2 1245 1 1 35 ALA HB3 H -7.271 11.766 1.891 1.00 . A A . 35 ALA HB3 1 1 2 1246 1 1 35 ALA N N -5.839 9.795 2.840 1.00 . A A . 35 ALA N 1 1 2 1247 1 1 35 ALA O O -4.670 10.392 -0.435 1.00 . A A . 35 ALA O 1 1 2 1248 1 1 36 ASP C C -1.837 11.032 0.920 1.00 . A A . 36 ASP C 1 1 2 1249 1 1 36 ASP CA C -2.974 12.050 1.015 1.00 . A A . 36 ASP CA 1 1 2 1250 1 1 36 ASP CB C -2.523 13.179 1.944 1.00 . A A . 36 ASP CB 1 1 2 1251 1 1 36 ASP CG C -1.569 14.194 1.312 1.00 . A A . 36 ASP CG 1 1 2 1252 1 1 36 ASP H H -4.365 11.575 2.491 1.00 . A A . 36 ASP H 1 1 2 1253 1 1 36 ASP HA H -3.263 12.445 0.040 1.00 . A A . 36 ASP HA 1 1 2 1254 1 1 36 ASP HB2 H -3.406 13.708 2.304 1.00 . A A . 36 ASP HB2 1 1 2 1255 1 1 36 ASP HB3 H -2.038 12.739 2.815 1.00 . A A . 36 ASP HB3 1 1 2 1256 1 1 36 ASP HD2 H -0.167 13.051 1.837 1.00 . A A . 36 ASP HD2 1 1 2 1257 1 1 36 ASP N N -4.165 11.394 1.528 1.00 . A A . 36 ASP N 1 1 2 1258 1 1 36 ASP O O -0.715 11.381 0.554 1.00 . A A . 36 ASP O 1 1 2 1259 1 1 36 ASP OD1 O -1.997 15.120 0.607 1.00 . A A . 36 ASP OD1 1 1 2 1260 1 1 36 ASP OD2 O -0.320 14.003 1.572 1.00 . A A . 36 ASP OD2 1 1 2 1261 1 1 37 TRP C C -1.171 8.148 -0.203 1.00 . A A . 37 TRP C 1 1 2 1262 1 1 37 TRP CA C -1.184 8.722 1.216 1.00 . A A . 37 TRP CA 1 1 2 1263 1 1 37 TRP CB C -1.478 7.668 2.285 1.00 . A A . 37 TRP CB 1 1 2 1264 1 1 37 TRP CD1 C 0.493 6.404 3.372 1.00 . A A . 37 TRP CD1 1 1 2 1265 1 1 37 TRP CD2 C -0.163 5.515 1.452 1.00 . A A . 37 TRP CD2 1 1 2 1266 1 1 37 TRP CE2 C 0.886 4.752 1.923 1.00 . A A . 37 TRP CE2 1 1 2 1267 1 1 37 TRP CE3 C -0.807 5.207 0.241 1.00 . A A . 37 TRP CE3 1 1 2 1268 1 1 37 TRP CG C -0.408 6.579 2.396 1.00 . A A . 37 TRP CG 1 1 2 1269 1 1 37 TRP CH2 C 0.758 3.307 0.037 1.00 . A A . 37 TRP CH2 1 1 2 1270 1 1 37 TRP CZ2 C 1.384 3.632 1.246 1.00 . A A . 37 TRP CZ2 1 1 2 1271 1 1 37 TRP CZ3 C -0.297 4.085 -0.424 1.00 . A A . 37 TRP CZ3 1 1 2 1272 1 1 37 TRP H H -3.079 9.518 1.555 1.00 . A A . 37 TRP H 1 1 2 1273 1 1 37 TRP HA H -0.211 9.152 1.452 1.00 . A A . 37 TRP HA 1 1 2 1274 1 1 37 TRP HB2 H -1.579 8.163 3.250 1.00 . A A . 37 TRP HB2 1 1 2 1275 1 1 37 TRP HB3 H -2.437 7.199 2.064 1.00 . A A . 37 TRP HB3 1 1 2 1276 1 1 37 TRP HD1 H 0.580 7.046 4.249 1.00 . A A . 37 TRP HD1 1 1 2 1277 1 1 37 TRP HE1 H 2.107 4.949 3.763 1.00 . A A . 37 TRP HE1 1 1 2 1278 1 1 37 TRP HE3 H -1.637 5.794 -0.153 1.00 . A A . 37 TRP HE3 1 1 2 1279 1 1 37 TRP HH2 H 1.097 2.446 -0.540 1.00 . A A . 37 TRP HH2 1 1 2 1280 1 1 37 TRP HZ2 H 2.214 3.045 1.640 1.00 . A A . 37 TRP HZ2 1 1 2 1281 1 1 37 TRP HZ3 H -0.761 3.802 -1.369 1.00 . A A . 37 TRP HZ3 1 1 2 1282 1 1 37 TRP N N -2.164 9.793 1.258 1.00 . A A . 37 TRP N 1 1 2 1283 1 1 37 TRP NE1 N 1.297 5.310 3.128 1.00 . A A . 37 TRP NE1 1 1 2 1284 1 1 37 TRP O O -2.222 7.824 -0.754 1.00 . A A . 37 TRP O 1 1 2 1285 1 1 38 VAL C C 1.553 6.819 -2.205 1.00 . A A . 38 VAL C 1 1 2 1286 1 1 38 VAL CA C 0.193 7.510 -2.095 1.00 . A A . 38 VAL CA 1 1 2 1287 1 1 38 VAL CB C 0.005 8.627 -3.124 1.00 . A A . 38 VAL CB 1 1 2 1288 1 1 38 VAL CG1 C -1.436 9.142 -3.118 1.00 . A A . 38 VAL CG1 1 1 2 1289 1 1 38 VAL CG2 C 0.996 9.767 -2.883 1.00 . A A . 38 VAL CG2 1 1 2 1290 1 1 38 VAL H H 0.879 8.305 -0.296 1.00 . A A . 38 VAL H 1 1 2 1291 1 1 38 VAL HA H -0.591 6.769 -2.254 1.00 . A A . 38 VAL HA 1 1 2 1292 1 1 38 VAL HB H 0.207 8.211 -4.111 1.00 . A A . 38 VAL HB 1 1 2 1293 1 1 38 VAL HG11 H -1.616 9.705 -2.202 1.00 . A A . 38 VAL HG11 1 1 2 1294 1 1 38 VAL HG12 H -1.594 9.789 -3.980 1.00 . A A . 38 VAL HG12 1 1 2 1295 1 1 38 VAL HG13 H -2.124 8.297 -3.166 1.00 . A A . 38 VAL HG13 1 1 2 1296 1 1 38 VAL HG21 H 0.588 10.451 -2.138 1.00 . A A . 38 VAL HG21 1 1 2 1297 1 1 38 VAL HG22 H 1.940 9.358 -2.523 1.00 . A A . 38 VAL HG22 1 1 2 1298 1 1 38 VAL HG23 H 1.165 10.305 -3.816 1.00 . A A . 38 VAL HG23 1 1 2 1299 1 1 38 VAL N N 0.030 8.039 -0.752 1.00 . A A . 38 VAL N 1 1 2 1300 1 1 38 VAL O O 2.497 7.184 -1.505 1.00 . A A . 38 VAL O 1 1 2 1301 1 1 39 CYS C C 4.015 6.067 -3.223 1.00 . A A . 39 CYS C 1 1 2 1302 1 1 39 CYS CA C 2.841 5.089 -3.299 1.00 . A A . 39 CYS CA 1 1 2 1303 1 1 39 CYS CB C 2.820 4.325 -4.624 1.00 . A A . 39 CYS CB 1 1 2 1304 1 1 39 CYS H H 0.840 5.544 -3.654 1.00 . A A . 39 CYS H 1 1 2 1305 1 1 39 CYS HA H 2.900 4.350 -2.499 1.00 . A A . 39 CYS HA 1 1 2 1306 1 1 39 CYS HB2 H 2.144 3.476 -4.528 1.00 . A A . 39 CYS HB2 1 1 2 1307 1 1 39 CYS HB3 H 2.407 4.975 -5.396 1.00 . A A . 39 CYS HB3 1 1 2 1308 1 1 39 CYS N N 1.612 5.834 -3.089 1.00 . A A . 39 CYS N 1 1 2 1309 1 1 39 CYS O O 4.248 6.836 -4.154 1.00 . A A . 39 CYS O 1 1 2 1310 1 1 39 CYS SG S 4.452 3.714 -5.184 1.00 . A A . 39 CYS SG 1 1 2 1311 1 1 40 PRO C C 7.087 6.412 -2.692 1.00 . A A . 40 PRO C 1 1 2 1312 1 1 40 PRO CA C 5.886 6.876 -1.865 1.00 . A A . 40 PRO CA 1 1 2 1313 1 1 40 PRO CB C 6.143 6.833 -0.368 1.00 . A A . 40 PRO CB 1 1 2 1314 1 1 40 PRO CD C 4.495 5.106 -0.951 1.00 . A A . 40 PRO CD 1 1 2 1315 1 1 40 PRO CG C 5.436 5.587 0.141 1.00 . A A . 40 PRO CG 1 1 2 1316 1 1 40 PRO HA H 5.679 7.802 -2.179 1.00 . A A . 40 PRO HA 1 1 2 1317 1 1 40 PRO HB2 H 7.212 6.789 -0.156 1.00 . A A . 40 PRO HB2 1 1 2 1318 1 1 40 PRO HB3 H 5.758 7.728 0.121 1.00 . A A . 40 PRO HB3 1 1 2 1319 1 1 40 PRO HD2 H 4.698 4.070 -1.220 1.00 . A A . 40 PRO HD2 1 1 2 1320 1 1 40 PRO HD3 H 3.455 5.154 -0.627 1.00 . A A . 40 PRO HD3 1 1 2 1321 1 1 40 PRO HG2 H 6.161 4.812 0.390 1.00 . A A . 40 PRO HG2 1 1 2 1322 1 1 40 PRO HG3 H 4.881 5.809 1.053 1.00 . A A . 40 PRO HG3 1 1 2 1323 1 1 40 PRO N N 4.742 6.005 -2.075 1.00 . A A . 40 PRO N 1 1 2 1324 1 1 40 PRO O O 8.209 6.365 -2.190 1.00 . A A . 40 PRO O 1 1 2 1325 1 1 41 VAL C C 7.677 6.297 -6.209 1.00 . A A . 41 VAL C 1 1 2 1326 1 1 41 VAL CA C 7.854 5.624 -4.846 1.00 . A A . 41 VAL CA 1 1 2 1327 1 1 41 VAL CB C 7.842 4.096 -4.927 1.00 . A A . 41 VAL CB 1 1 2 1328 1 1 41 VAL CG1 C 9.124 3.572 -5.576 1.00 . A A . 41 VAL CG1 1 1 2 1329 1 1 41 VAL CG2 C 7.633 3.475 -3.545 1.00 . A A . 41 VAL CG2 1 1 2 1330 1 1 41 VAL H H 5.895 6.123 -4.345 1.00 . A A . 41 VAL H 1 1 2 1331 1 1 41 VAL HA H 8.811 5.932 -4.424 1.00 . A A . 41 VAL HA 1 1 2 1332 1 1 41 VAL HB H 7.003 3.801 -5.557 1.00 . A A . 41 VAL HB 1 1 2 1333 1 1 41 VAL HG11 H 8.915 2.632 -6.086 1.00 . A A . 41 VAL HG11 1 1 2 1334 1 1 41 VAL HG12 H 9.492 4.302 -6.297 1.00 . A A . 41 VAL HG12 1 1 2 1335 1 1 41 VAL HG13 H 9.880 3.408 -4.808 1.00 . A A . 41 VAL HG13 1 1 2 1336 1 1 41 VAL HG21 H 6.584 3.206 -3.422 1.00 . A A . 41 VAL HG21 1 1 2 1337 1 1 41 VAL HG22 H 8.251 2.582 -3.451 1.00 . A A . 41 VAL HG22 1 1 2 1338 1 1 41 VAL HG23 H 7.916 4.195 -2.777 1.00 . A A . 41 VAL HG23 1 1 2 1339 1 1 41 VAL N N 6.810 6.082 -3.945 1.00 . A A . 41 VAL N 1 1 2 1340 1 1 41 VAL O O 8.583 6.973 -6.694 1.00 . A A . 41 VAL O 1 1 2 1341 1 1 42 CYS C C 5.201 7.809 -7.878 1.00 . A A . 42 CYS C 1 1 2 1342 1 1 42 CYS CA C 6.196 6.666 -8.085 1.00 . A A . 42 CYS CA 1 1 2 1343 1 1 42 CYS CB C 5.663 5.615 -9.060 1.00 . A A . 42 CYS CB 1 1 2 1344 1 1 42 CYS H H 5.772 5.537 -6.386 1.00 . A A . 42 CYS H 1 1 2 1345 1 1 42 CYS HA H 7.135 7.039 -8.492 1.00 . A A . 42 CYS HA 1 1 2 1346 1 1 42 CYS HB2 H 5.828 5.967 -10.078 1.00 . A A . 42 CYS HB2 1 1 2 1347 1 1 42 CYS HB3 H 6.244 4.701 -8.941 1.00 . A A . 42 CYS HB3 1 1 2 1348 1 1 42 CYS N N 6.504 6.088 -6.788 1.00 . A A . 42 CYS N 1 1 2 1349 1 1 42 CYS O O 5.313 8.857 -8.512 1.00 . A A . 42 CYS O 1 1 2 1350 1 1 42 CYS SG S 3.889 5.211 -8.859 1.00 . A A . 42 CYS SG 1 1 2 1351 1 1 43 GLY C C 1.834 8.032 -6.998 1.00 . A A . 43 GLY C 1 1 2 1352 1 1 43 GLY CA C 3.235 8.565 -6.689 1.00 . A A . 43 GLY CA 1 1 2 1353 1 1 43 GLY H H 4.165 6.714 -6.477 1.00 . A A . 43 GLY H 1 1 2 1354 1 1 43 GLY HA2 H 3.296 8.849 -5.639 1.00 . A A . 43 GLY HA2 1 1 2 1355 1 1 43 GLY HA3 H 3.422 9.466 -7.274 1.00 . A A . 43 GLY HA3 1 1 2 1356 1 1 43 GLY N N 4.249 7.569 -6.988 1.00 . A A . 43 GLY N 1 1 2 1357 1 1 43 GLY O O 0.889 8.806 -7.140 1.00 . A A . 43 GLY O 1 1 2 1358 1 1 44 ALA C C -0.509 6.359 -6.249 1.00 . A A . 44 ALA C 1 1 2 1359 1 1 44 ALA CA C 0.477 6.067 -7.382 1.00 . A A . 44 ALA CA 1 1 2 1360 1 1 44 ALA CB C 0.702 4.568 -7.587 1.00 . A A . 44 ALA CB 1 1 2 1361 1 1 44 ALA H H 2.520 6.091 -6.975 1.00 . A A . 44 ALA H 1 1 2 1362 1 1 44 ALA HA H 0.090 6.494 -8.307 1.00 . A A . 44 ALA HA 1 1 2 1363 1 1 44 ALA HB1 H 1.233 4.405 -8.525 1.00 . A A . 44 ALA HB1 1 1 2 1364 1 1 44 ALA HB2 H 1.293 4.173 -6.761 1.00 . A A . 44 ALA HB2 1 1 2 1365 1 1 44 ALA HB3 H -0.261 4.058 -7.621 1.00 . A A . 44 ALA HB3 1 1 2 1366 1 1 44 ALA N N 1.746 6.713 -7.092 1.00 . A A . 44 ALA N 1 1 2 1367 1 1 44 ALA O O -0.132 6.360 -5.078 1.00 . A A . 44 ALA O 1 1 2 1368 1 1 45 PRO C C -3.267 5.631 -4.944 1.00 . A A . 45 PRO C 1 1 2 1369 1 1 45 PRO CA C -2.829 6.900 -5.678 1.00 . A A . 45 PRO CA 1 1 2 1370 1 1 45 PRO CB C -3.948 7.536 -6.486 1.00 . A A . 45 PRO CB 1 1 2 1371 1 1 45 PRO CD C -2.269 6.615 -8.025 1.00 . A A . 45 PRO CD 1 1 2 1372 1 1 45 PRO CG C -3.687 7.154 -7.934 1.00 . A A . 45 PRO CG 1 1 2 1373 1 1 45 PRO HA H -2.483 7.518 -4.972 1.00 . A A . 45 PRO HA 1 1 2 1374 1 1 45 PRO HB2 H -4.922 7.174 -6.156 1.00 . A A . 45 PRO HB2 1 1 2 1375 1 1 45 PRO HB3 H -3.953 8.619 -6.362 1.00 . A A . 45 PRO HB3 1 1 2 1376 1 1 45 PRO HD2 H -2.252 5.614 -8.456 1.00 . A A . 45 PRO HD2 1 1 2 1377 1 1 45 PRO HD3 H -1.645 7.245 -8.659 1.00 . A A . 45 PRO HD3 1 1 2 1378 1 1 45 PRO HG2 H -4.403 6.403 -8.266 1.00 . A A . 45 PRO HG2 1 1 2 1379 1 1 45 PRO HG3 H -3.809 8.020 -8.584 1.00 . A A . 45 PRO HG3 1 1 2 1380 1 1 45 PRO N N -1.786 6.607 -6.647 1.00 . A A . 45 PRO N 1 1 2 1381 1 1 45 PRO O O -3.353 4.561 -5.545 1.00 . A A . 45 PRO O 1 1 2 1382 1 1 46 LYS C C -5.196 4.026 -3.463 1.00 . A A . 46 LYS C 1 1 2 1383 1 1 46 LYS CA C -3.960 4.673 -2.834 1.00 . A A . 46 LYS CA 1 1 2 1384 1 1 46 LYS CB C -4.170 5.121 -1.387 1.00 . A A . 46 LYS CB 1 1 2 1385 1 1 46 LYS CD C -6.516 4.896 -0.488 1.00 . A A . 46 LYS CD 1 1 2 1386 1 1 46 LYS CE C -6.301 4.952 1.025 1.00 . A A . 46 LYS CE 1 1 2 1387 1 1 46 LYS CG C -5.527 5.808 -1.216 1.00 . A A . 46 LYS CG 1 1 2 1388 1 1 46 LYS H H -3.460 6.666 -3.176 1.00 . A A . 46 LYS H 1 1 2 1389 1 1 46 LYS HA H -3.151 3.942 -2.831 1.00 . A A . 46 LYS HA 1 1 2 1390 1 1 46 LYS HB2 H -4.110 4.259 -0.722 1.00 . A A . 46 LYS HB2 1 1 2 1391 1 1 46 LYS HB3 H -3.373 5.805 -1.094 1.00 . A A . 46 LYS HB3 1 1 2 1392 1 1 46 LYS HD2 H -7.536 5.197 -0.726 1.00 . A A . 46 LYS HD2 1 1 2 1393 1 1 46 LYS HD3 H -6.397 3.871 -0.839 1.00 . A A . 46 LYS HD3 1 1 2 1394 1 1 46 LYS HE2 H -6.900 4.182 1.512 1.00 . A A . 46 LYS HE2 1 1 2 1395 1 1 46 LYS HE3 H -5.258 4.739 1.258 1.00 . A A . 46 LYS HE3 1 1 2 1396 1 1 46 LYS HG2 H -5.401 6.735 -0.657 1.00 . A A . 46 LYS HG2 1 1 2 1397 1 1 46 LYS HG3 H -5.927 6.078 -2.194 1.00 . A A . 46 LYS HG3 1 1 2 1398 1 1 46 LYS HZ1 H -6.439 6.381 2.535 1.00 . A A . 46 LYS HZ1 1 1 2 1399 1 1 46 LYS HZ3 H -7.665 6.464 1.467 1.00 . A A . 46 LYS HZ3 1 1 2 1400 1 1 46 LYS N N -3.533 5.792 -3.656 1.00 . A A . 46 LYS N 1 1 2 1401 1 1 46 LYS NZ N -6.671 6.284 1.553 1.00 . A A . 46 LYS NZ 1 1 2 1402 1 1 46 LYS O O -5.548 2.897 -3.129 1.00 . A A . 46 LYS O 1 1 2 1403 1 1 47 SER C C -6.615 3.306 -6.151 1.00 . A A . 47 SER C 1 1 2 1404 1 1 47 SER CA C -7.009 4.285 -5.043 1.00 . A A . 47 SER CA 1 1 2 1405 1 1 47 SER CB C -7.825 5.442 -5.622 1.00 . A A . 47 SER CB 1 1 2 1406 1 1 47 SER H H -5.527 5.689 -4.631 1.00 . A A . 47 SER H 1 1 2 1407 1 1 47 SER HA H -7.593 3.778 -4.275 1.00 . A A . 47 SER HA 1 1 2 1408 1 1 47 SER HB2 H -7.551 6.368 -5.116 1.00 . A A . 47 SER HB2 1 1 2 1409 1 1 47 SER HB3 H -7.578 5.569 -6.676 1.00 . A A . 47 SER HB3 1 1 2 1410 1 1 47 SER HG H -9.732 5.933 -5.985 1.00 . A A . 47 SER HG 1 1 2 1411 1 1 47 SER N N -5.820 4.771 -4.364 1.00 . A A . 47 SER N 1 1 2 1412 1 1 47 SER O O -7.431 2.495 -6.587 1.00 . A A . 47 SER O 1 1 2 1413 1 1 47 SER OG O -9.228 5.226 -5.487 1.00 . A A . 47 SER OG 1 1 2 1414 1 1 48 GLU C C -4.088 1.373 -7.016 1.00 . A A . 48 GLU C 1 1 2 1415 1 1 48 GLU CA C -4.853 2.550 -7.625 1.00 . A A . 48 GLU CA 1 1 2 1416 1 1 48 GLU CB C -3.971 3.333 -8.600 1.00 . A A . 48 GLU CB 1 1 2 1417 1 1 48 GLU CD C -3.916 5.230 -10.260 1.00 . A A . 48 GLU CD 1 1 2 1418 1 1 48 GLU CG C -4.810 4.285 -9.454 1.00 . A A . 48 GLU CG 1 1 2 1419 1 1 48 GLU H H -4.708 4.077 -6.216 1.00 . A A . 48 GLU H 1 1 2 1420 1 1 48 GLU HA H -5.733 2.184 -8.154 1.00 . A A . 48 GLU HA 1 1 2 1421 1 1 48 GLU HB2 H -3.223 3.899 -8.044 1.00 . A A . 48 GLU HB2 1 1 2 1422 1 1 48 GLU HB3 H -3.432 2.639 -9.245 1.00 . A A . 48 GLU HB3 1 1 2 1423 1 1 48 GLU HE2 H -5.407 6.376 -10.364 1.00 . A A . 48 GLU HE2 1 1 2 1424 1 1 48 GLU HG2 H -5.442 3.711 -10.131 1.00 . A A . 48 GLU HG2 1 1 2 1425 1 1 48 GLU HG3 H -5.474 4.865 -8.813 1.00 . A A . 48 GLU HG3 1 1 2 1426 1 1 48 GLU N N -5.365 3.415 -6.576 1.00 . A A . 48 GLU N 1 1 2 1427 1 1 48 GLU O O -3.191 0.818 -7.649 1.00 . A A . 48 GLU O 1 1 2 1428 1 1 48 GLU OE1 O -2.805 4.846 -10.654 1.00 . A A . 48 GLU OE1 1 1 2 1429 1 1 48 GLU OE2 O -4.413 6.401 -10.473 1.00 . A A . 48 GLU OE2 1 1 2 1430 1 1 49 PHE C C -4.740 -1.302 -5.059 1.00 . A A . 49 PHE C 1 1 2 1431 1 1 49 PHE CA C -3.831 -0.073 -5.095 1.00 . A A . 49 PHE CA 1 1 2 1432 1 1 49 PHE CB C -3.573 0.399 -3.662 1.00 . A A . 49 PHE CB 1 1 2 1433 1 1 49 PHE CD1 C -1.856 2.201 -3.935 1.00 . A A . 49 PHE CD1 1 1 2 1434 1 1 49 PHE CD2 C -1.248 0.262 -2.743 1.00 . A A . 49 PHE CD2 1 1 2 1435 1 1 49 PHE CE1 C -0.558 2.737 -3.727 1.00 . A A . 49 PHE CE1 1 1 2 1436 1 1 49 PHE CE2 C 0.051 0.798 -2.536 1.00 . A A . 49 PHE CE2 1 1 2 1437 1 1 49 PHE CG C -2.174 0.975 -3.439 1.00 . A A . 49 PHE CG 1 1 2 1438 1 1 49 PHE CZ C 0.369 2.024 -3.032 1.00 . A A . 49 PHE CZ 1 1 2 1439 1 1 49 PHE H H -5.201 1.484 -5.288 1.00 . A A . 49 PHE H 1 1 2 1440 1 1 49 PHE HA H -2.917 -0.315 -5.637 1.00 . A A . 49 PHE HA 1 1 2 1441 1 1 49 PHE HB2 H -4.313 1.155 -3.401 1.00 . A A . 49 PHE HB2 1 1 2 1442 1 1 49 PHE HB3 H -3.722 -0.440 -2.982 1.00 . A A . 49 PHE HB3 1 1 2 1443 1 1 49 PHE HD1 H -2.599 2.773 -4.492 1.00 . A A . 49 PHE HD1 1 1 2 1444 1 1 49 PHE HD2 H -1.502 -0.720 -2.345 1.00 . A A . 49 PHE HD2 1 1 2 1445 1 1 49 PHE HE1 H -0.303 3.719 -4.125 1.00 . A A . 49 PHE HE1 1 1 2 1446 1 1 49 PHE HE2 H 0.793 0.226 -1.979 1.00 . A A . 49 PHE HE2 1 1 2 1447 1 1 49 PHE HZ H 1.365 2.435 -2.873 1.00 . A A . 49 PHE HZ 1 1 2 1448 1 1 49 PHE N N -4.470 1.028 -5.796 1.00 . A A . 49 PHE N 1 1 2 1449 1 1 49 PHE O O -5.932 -1.190 -4.773 1.00 . A A . 49 PHE O 1 1 2 1450 1 1 50 GLU C C -4.161 -4.749 -4.515 1.00 . A A . 50 GLU C 1 1 2 1451 1 1 50 GLU CA C -4.886 -3.698 -5.357 1.00 . A A . 50 GLU CA 1 1 2 1452 1 1 50 GLU CB C -5.108 -4.198 -6.786 1.00 . A A . 50 GLU CB 1 1 2 1453 1 1 50 GLU CD C -6.464 -5.950 -7.991 1.00 . A A . 50 GLU CD 1 1 2 1454 1 1 50 GLU CG C -5.560 -5.660 -6.791 1.00 . A A . 50 GLU CG 1 1 2 1455 1 1 50 GLU H H -3.175 -2.532 -5.583 1.00 . A A . 50 GLU H 1 1 2 1456 1 1 50 GLU HA H -5.851 -3.464 -4.906 1.00 . A A . 50 GLU HA 1 1 2 1457 1 1 50 GLU HB2 H -5.859 -3.580 -7.278 1.00 . A A . 50 GLU HB2 1 1 2 1458 1 1 50 GLU HB3 H -4.186 -4.097 -7.358 1.00 . A A . 50 GLU HB3 1 1 2 1459 1 1 50 GLU HE2 H -8.197 -5.535 -8.600 1.00 . A A . 50 GLU HE2 1 1 2 1460 1 1 50 GLU HG2 H -4.688 -6.314 -6.821 1.00 . A A . 50 GLU HG2 1 1 2 1461 1 1 50 GLU HG3 H -6.093 -5.883 -5.867 1.00 . A A . 50 GLU HG3 1 1 2 1462 1 1 50 GLU N N -4.144 -2.449 -5.352 1.00 . A A . 50 GLU N 1 1 2 1463 1 1 50 GLU O O -2.932 -4.758 -4.449 1.00 . A A . 50 GLU O 1 1 2 1464 1 1 50 GLU OE1 O -5.966 -6.282 -9.077 1.00 . A A . 50 GLU OE1 1 1 2 1465 1 1 50 GLU OE2 O -7.728 -5.822 -7.765 1.00 . A A . 50 GLU OE2 1 1 2 1466 1 1 51 ALA C C -3.801 -7.754 -3.947 1.00 . A A . 51 ALA C 1 1 2 1467 1 1 51 ALA CA C -4.400 -6.664 -3.056 1.00 . A A . 51 ALA CA 1 1 2 1468 1 1 51 ALA CB C -5.490 -7.203 -2.127 1.00 . A A . 51 ALA CB 1 1 2 1469 1 1 51 ALA H H -5.949 -5.597 -3.950 1.00 . A A . 51 ALA H 1 1 2 1470 1 1 51 ALA HA H -3.607 -6.226 -2.450 1.00 . A A . 51 ALA HA 1 1 2 1471 1 1 51 ALA HB1 H -5.318 -8.263 -1.942 1.00 . A A . 51 ALA HB1 1 1 2 1472 1 1 51 ALA HB2 H -5.463 -6.660 -1.182 1.00 . A A . 51 ALA HB2 1 1 2 1473 1 1 51 ALA HB3 H -6.465 -7.069 -2.596 1.00 . A A . 51 ALA HB3 1 1 2 1474 1 1 51 ALA N N -4.951 -5.611 -3.891 1.00 . A A . 51 ALA N 1 1 2 1475 1 1 51 ALA O O -4.472 -8.270 -4.839 1.00 . A A . 51 ALA O 1 1 2 1476 1 1 52 ALA C C -1.914 -10.424 -3.685 1.00 . A A . 52 ALA C 1 1 2 1477 1 1 52 ALA CA C -1.848 -9.094 -4.438 1.00 . A A . 52 ALA CA 1 1 2 1478 1 1 52 ALA CB C -0.410 -8.642 -4.700 1.00 . A A . 52 ALA CB 1 1 2 1479 1 1 52 ALA H H -2.006 -7.650 -2.945 1.00 . A A . 52 ALA H 1 1 2 1480 1 1 52 ALA HA H -2.362 -9.201 -5.393 1.00 . A A . 52 ALA HA 1 1 2 1481 1 1 52 ALA HB1 H -0.323 -7.574 -4.504 1.00 . A A . 52 ALA HB1 1 1 2 1482 1 1 52 ALA HB2 H 0.268 -9.188 -4.044 1.00 . A A . 52 ALA HB2 1 1 2 1483 1 1 52 ALA HB3 H -0.150 -8.843 -5.740 1.00 . A A . 52 ALA HB3 1 1 2 1484 1 1 52 ALA N N -2.545 -8.074 -3.673 1.00 . A A . 52 ALA N 1 1 2 1485 1 1 52 ALA O O -0.893 -11.083 -3.492 1.00 . A A . 52 ALA O 1 1 2 1486 2 2 1 NI NI NI 4.022 3.223 -7.498 1.00 . B A . 53 NI NI 1 1 3 1487 1 1 1 MET C C -1.598 -9.938 5.293 1.00 . A A . 1 MET C 1 1 3 1488 1 1 1 MET CA C -1.853 -10.174 6.783 1.00 . A A . 1 MET CA 1 1 3 1489 1 1 1 MET CB C -1.007 -9.201 7.607 1.00 . A A . 1 MET CB 1 1 3 1490 1 1 1 MET CE C -4.126 -7.159 8.979 1.00 . A A . 1 MET CE 1 1 3 1491 1 1 1 MET CG C -1.819 -8.610 8.761 1.00 . A A . 1 MET CG 1 1 3 1492 1 1 1 MET H1 H -2.164 -11.967 7.797 1.00 . A A . 1 MET H1 1 1 3 1493 1 1 1 MET HA H -2.915 -10.059 7.000 1.00 . A A . 1 MET HA 1 1 3 1494 1 1 1 MET HB2 H -0.131 -9.718 8.000 1.00 . A A . 1 MET HB2 1 1 3 1495 1 1 1 MET HB3 H -0.642 -8.399 6.966 1.00 . A A . 1 MET HB3 1 1 3 1496 1 1 1 MET HE1 H -4.521 -8.156 8.784 1.00 . A A . 1 MET HE1 1 1 3 1497 1 1 1 MET HE2 H -4.083 -6.989 10.055 1.00 . A A . 1 MET HE2 1 1 3 1498 1 1 1 MET HE3 H -4.776 -6.414 8.520 1.00 . A A . 1 MET HE3 1 1 3 1499 1 1 1 MET HG2 H -2.628 -9.288 9.032 1.00 . A A . 1 MET HG2 1 1 3 1500 1 1 1 MET HG3 H -1.186 -8.501 9.642 1.00 . A A . 1 MET HG3 1 1 3 1501 1 1 1 MET N N -1.525 -11.539 7.157 1.00 . A A . 1 MET N 1 1 3 1502 1 1 1 MET O O -0.456 -9.748 4.878 1.00 . A A . 1 MET O 1 1 3 1503 1 1 1 MET SD S -2.486 -7.024 8.288 1.00 . A A . 1 MET SD 1 1 3 1504 1 1 2 LYS C C -1.987 -8.367 2.823 1.00 . A A . 2 LYS C 1 1 3 1505 1 1 2 LYS CA C -2.588 -9.748 3.095 1.00 . A A . 2 LYS CA 1 1 3 1506 1 1 2 LYS CB C -3.950 -9.967 2.432 1.00 . A A . 2 LYS CB 1 1 3 1507 1 1 2 LYS CD C -5.465 -8.244 1.386 1.00 . A A . 2 LYS CD 1 1 3 1508 1 1 2 LYS CE C -6.987 -8.120 1.473 1.00 . A A . 2 LYS CE 1 1 3 1509 1 1 2 LYS CG C -4.884 -8.784 2.695 1.00 . A A . 2 LYS CG 1 1 3 1510 1 1 2 LYS H H -3.606 -10.113 4.875 1.00 . A A . 2 LYS H 1 1 3 1511 1 1 2 LYS HA H -1.911 -10.504 2.697 1.00 . A A . 2 LYS HA 1 1 3 1512 1 1 2 LYS HB2 H -3.819 -10.101 1.358 1.00 . A A . 2 LYS HB2 1 1 3 1513 1 1 2 LYS HB3 H -4.401 -10.883 2.814 1.00 . A A . 2 LYS HB3 1 1 3 1514 1 1 2 LYS HD2 H -5.029 -7.269 1.166 1.00 . A A . 2 LYS HD2 1 1 3 1515 1 1 2 LYS HD3 H -5.196 -8.907 0.564 1.00 . A A . 2 LYS HD3 1 1 3 1516 1 1 2 LYS HE2 H -7.357 -8.686 2.327 1.00 . A A . 2 LYS HE2 1 1 3 1517 1 1 2 LYS HE3 H -7.264 -7.078 1.637 1.00 . A A . 2 LYS HE3 1 1 3 1518 1 1 2 LYS HG2 H -5.693 -9.095 3.355 1.00 . A A . 2 LYS HG2 1 1 3 1519 1 1 2 LYS HG3 H -4.339 -7.993 3.209 1.00 . A A . 2 LYS HG3 1 1 3 1520 1 1 2 LYS HZ1 H -7.748 -9.622 0.246 1.00 . A A . 2 LYS HZ1 1 1 3 1521 1 1 2 LYS HZ3 H -7.062 -8.405 -0.590 1.00 . A A . 2 LYS HZ3 1 1 3 1522 1 1 2 LYS N N -2.680 -9.958 4.529 1.00 . A A . 2 LYS N 1 1 3 1523 1 1 2 LYS NZ N -7.619 -8.617 0.230 1.00 . A A . 2 LYS NZ 1 1 3 1524 1 1 2 LYS O O -2.180 -7.438 3.605 1.00 . A A . 2 LYS O 1 1 3 1525 1 1 3 LYS C C -1.060 -6.666 -0.100 1.00 . A A . 3 LYS C 1 1 3 1526 1 1 3 LYS CA C -0.641 -7.026 1.327 1.00 . A A . 3 LYS CA 1 1 3 1527 1 1 3 LYS CB C 0.874 -7.107 1.521 1.00 . A A . 3 LYS CB 1 1 3 1528 1 1 3 LYS CD C 1.984 -9.359 1.758 1.00 . A A . 3 LYS CD 1 1 3 1529 1 1 3 LYS CE C 1.017 -10.540 1.868 1.00 . A A . 3 LYS CE 1 1 3 1530 1 1 3 LYS CG C 1.458 -8.309 0.777 1.00 . A A . 3 LYS CG 1 1 3 1531 1 1 3 LYS H H -1.120 -9.038 1.081 1.00 . A A . 3 LYS H 1 1 3 1532 1 1 3 LYS HA H -1.011 -6.253 2.001 1.00 . A A . 3 LYS HA 1 1 3 1533 1 1 3 LYS HB2 H 1.341 -6.190 1.161 1.00 . A A . 3 LYS HB2 1 1 3 1534 1 1 3 LYS HB3 H 1.105 -7.185 2.583 1.00 . A A . 3 LYS HB3 1 1 3 1535 1 1 3 LYS HD2 H 2.961 -9.713 1.428 1.00 . A A . 3 LYS HD2 1 1 3 1536 1 1 3 LYS HD3 H 2.125 -8.906 2.739 1.00 . A A . 3 LYS HD3 1 1 3 1537 1 1 3 LYS HE2 H 0.546 -10.541 2.850 1.00 . A A . 3 LYS HE2 1 1 3 1538 1 1 3 LYS HE3 H 0.220 -10.434 1.132 1.00 . A A . 3 LYS HE3 1 1 3 1539 1 1 3 LYS HG2 H 0.694 -8.753 0.139 1.00 . A A . 3 LYS HG2 1 1 3 1540 1 1 3 LYS HG3 H 2.266 -7.979 0.124 1.00 . A A . 3 LYS HG3 1 1 3 1541 1 1 3 LYS HZ1 H 2.469 -11.960 2.335 1.00 . A A . 3 LYS HZ1 1 1 3 1542 1 1 3 LYS HZ3 H 2.168 -11.859 0.738 1.00 . A A . 3 LYS HZ3 1 1 3 1543 1 1 3 LYS N N -1.271 -8.277 1.712 1.00 . A A . 3 LYS N 1 1 3 1544 1 1 3 LYS NZ N 1.733 -11.817 1.653 1.00 . A A . 3 LYS NZ 1 1 3 1545 1 1 3 LYS O O -1.397 -7.545 -0.892 1.00 . A A . 3 LYS O 1 1 3 1546 1 1 4 TYR C C -0.163 -4.454 -2.496 1.00 . A A . 4 TYR C 1 1 3 1547 1 1 4 TYR CA C -1.398 -4.886 -1.702 1.00 . A A . 4 TYR CA 1 1 3 1548 1 1 4 TYR CB C -2.289 -3.665 -1.465 1.00 . A A . 4 TYR CB 1 1 3 1549 1 1 4 TYR CD1 C -2.289 -3.168 1.007 1.00 . A A . 4 TYR CD1 1 1 3 1550 1 1 4 TYR CD2 C -4.261 -4.113 0.041 1.00 . A A . 4 TYR CD2 1 1 3 1551 1 1 4 TYR CE1 C -2.929 -3.152 2.297 1.00 . A A . 4 TYR CE1 1 1 3 1552 1 1 4 TYR CE2 C -4.901 -4.096 1.331 1.00 . A A . 4 TYR CE2 1 1 3 1553 1 1 4 TYR CG C -2.969 -3.648 -0.094 1.00 . A A . 4 TYR CG 1 1 3 1554 1 1 4 TYR CZ C -4.203 -3.617 2.395 1.00 . A A . 4 TYR CZ 1 1 3 1555 1 1 4 TYR H H -0.751 -4.664 0.265 1.00 . A A . 4 TYR H 1 1 3 1556 1 1 4 TYR HA H -1.896 -5.698 -2.232 1.00 . A A . 4 TYR HA 1 1 3 1557 1 1 4 TYR HB2 H -1.688 -2.763 -1.572 1.00 . A A . 4 TYR HB2 1 1 3 1558 1 1 4 TYR HB3 H -3.055 -3.632 -2.239 1.00 . A A . 4 TYR HB3 1 1 3 1559 1 1 4 TYR HD1 H -1.268 -2.801 0.900 1.00 . A A . 4 TYR HD1 1 1 3 1560 1 1 4 TYR HD2 H -4.798 -4.492 -0.829 1.00 . A A . 4 TYR HD2 1 1 3 1561 1 1 4 TYR HE1 H -2.403 -2.775 3.174 1.00 . A A . 4 TYR HE1 1 1 3 1562 1 1 4 TYR HE2 H -5.921 -4.460 1.452 1.00 . A A . 4 TYR HE2 1 1 3 1563 1 1 4 TYR HH H -5.240 -4.485 3.792 1.00 . A A . 4 TYR HH 1 1 3 1564 1 1 4 TYR N N -1.026 -5.373 -0.385 1.00 . A A . 4 TYR N 1 1 3 1565 1 1 4 TYR O O 0.967 -4.696 -2.074 1.00 . A A . 4 TYR O 1 1 3 1566 1 1 4 TYR OH O -4.807 -3.601 3.614 1.00 . A A . 4 TYR OH 1 1 3 1567 1 1 5 VAL C C 0.235 -2.048 -5.162 1.00 . A A . 5 VAL C 1 1 3 1568 1 1 5 VAL CA C 0.657 -3.355 -4.489 1.00 . A A . 5 VAL CA 1 1 3 1569 1 1 5 VAL CB C 1.040 -4.447 -5.490 1.00 . A A . 5 VAL CB 1 1 3 1570 1 1 5 VAL CG1 C 2.083 -3.935 -6.486 1.00 . A A . 5 VAL CG1 1 1 3 1571 1 1 5 VAL CG2 C 1.540 -5.701 -4.769 1.00 . A A . 5 VAL CG2 1 1 3 1572 1 1 5 VAL H H -1.342 -3.630 -3.968 1.00 . A A . 5 VAL H 1 1 3 1573 1 1 5 VAL HA H 1.521 -3.161 -3.854 1.00 . A A . 5 VAL HA 1 1 3 1574 1 1 5 VAL HB H 0.145 -4.717 -6.050 1.00 . A A . 5 VAL HB 1 1 3 1575 1 1 5 VAL HG11 H 3.076 -4.010 -6.043 1.00 . A A . 5 VAL HG11 1 1 3 1576 1 1 5 VAL HG12 H 2.043 -4.536 -7.394 1.00 . A A . 5 VAL HG12 1 1 3 1577 1 1 5 VAL HG13 H 1.871 -2.894 -6.730 1.00 . A A . 5 VAL HG13 1 1 3 1578 1 1 5 VAL HG21 H 2.236 -6.237 -5.414 1.00 . A A . 5 VAL HG21 1 1 3 1579 1 1 5 VAL HG22 H 2.045 -5.413 -3.847 1.00 . A A . 5 VAL HG22 1 1 3 1580 1 1 5 VAL HG23 H 0.693 -6.346 -4.533 1.00 . A A . 5 VAL HG23 1 1 3 1581 1 1 5 VAL N N -0.420 -3.823 -3.632 1.00 . A A . 5 VAL N 1 1 3 1582 1 1 5 VAL O O -0.944 -1.843 -5.446 1.00 . A A . 5 VAL O 1 1 3 1583 1 1 6 CYS C C 0.054 -0.146 -7.237 1.00 . A A . 6 CYS C 1 1 3 1584 1 1 6 CYS CA C 0.969 0.086 -6.033 1.00 . A A . 6 CYS CA 1 1 3 1585 1 1 6 CYS CB C 2.270 0.787 -6.431 1.00 . A A . 6 CYS CB 1 1 3 1586 1 1 6 CYS H H 2.179 -1.370 -5.164 1.00 . A A . 6 CYS H 1 1 3 1587 1 1 6 CYS HA H 0.478 0.712 -5.288 1.00 . A A . 6 CYS HA 1 1 3 1588 1 1 6 CYS HB2 H 2.674 1.297 -5.557 1.00 . A A . 6 CYS HB2 1 1 3 1589 1 1 6 CYS HB3 H 2.998 0.031 -6.724 1.00 . A A . 6 CYS HB3 1 1 3 1590 1 1 6 CYS N N 1.223 -1.196 -5.398 1.00 . A A . 6 CYS N 1 1 3 1591 1 1 6 CYS O O -1.003 0.474 -7.347 1.00 . A A . 6 CYS O 1 1 3 1592 1 1 6 CYS SG S 2.103 1.998 -7.793 1.00 . A A . 6 CYS SG 1 1 3 1593 1 1 7 THR C C -0.055 -0.300 -10.379 1.00 . A A . 7 THR C 1 1 3 1594 1 1 7 THR CA C -0.273 -1.363 -9.301 1.00 . A A . 7 THR CA 1 1 3 1595 1 1 7 THR CB C -1.739 -1.522 -8.892 1.00 . A A . 7 THR CB 1 1 3 1596 1 1 7 THR CG2 C -2.512 -2.451 -9.831 1.00 . A A . 7 THR CG2 1 1 3 1597 1 1 7 THR H H 1.354 -1.541 -8.013 1.00 . A A . 7 THR H 1 1 3 1598 1 1 7 THR HA H 0.096 -2.307 -9.703 1.00 . A A . 7 THR HA 1 1 3 1599 1 1 7 THR HB H -2.229 -0.552 -8.814 1.00 . A A . 7 THR HB 1 1 3 1600 1 1 7 THR HG1 H -0.890 -2.853 -7.662 1.00 . A A . 7 THR HG1 1 1 3 1601 1 1 7 THR HG21 H -2.318 -3.488 -9.556 1.00 . A A . 7 THR HG21 1 1 3 1602 1 1 7 THR HG22 H -3.579 -2.246 -9.747 1.00 . A A . 7 THR HG22 1 1 3 1603 1 1 7 THR HG23 H -2.188 -2.281 -10.858 1.00 . A A . 7 THR HG23 1 1 3 1604 1 1 7 THR N N 0.493 -1.041 -8.109 1.00 . A A . 7 THR N 1 1 3 1605 1 1 7 THR O O -0.939 -0.049 -11.196 1.00 . A A . 7 THR O 1 1 3 1606 1 1 7 THR OG1 O -1.681 -2.241 -7.663 1.00 . A A . 7 THR OG1 1 1 3 1607 1 1 8 VAL C C 2.969 1.246 -11.622 1.00 . A A . 8 VAL C 1 1 3 1608 1 1 8 VAL CA C 1.473 1.327 -11.310 1.00 . A A . 8 VAL CA 1 1 3 1609 1 1 8 VAL CB C 1.046 2.699 -10.785 1.00 . A A . 8 VAL CB 1 1 3 1610 1 1 8 VAL CG1 C 0.922 3.709 -11.927 1.00 . A A . 8 VAL CG1 1 1 3 1611 1 1 8 VAL CG2 C -0.262 2.601 -9.996 1.00 . A A . 8 VAL CG2 1 1 3 1612 1 1 8 VAL H H 1.841 0.086 -9.678 1.00 . A A . 8 VAL H 1 1 3 1613 1 1 8 VAL HA H 0.912 1.125 -12.222 1.00 . A A . 8 VAL HA 1 1 3 1614 1 1 8 VAL HB H 1.821 3.055 -10.106 1.00 . A A . 8 VAL HB 1 1 3 1615 1 1 8 VAL HG11 H 1.741 3.563 -12.631 1.00 . A A . 8 VAL HG11 1 1 3 1616 1 1 8 VAL HG12 H -0.028 3.563 -12.441 1.00 . A A . 8 VAL HG12 1 1 3 1617 1 1 8 VAL HG13 H 0.965 4.721 -11.524 1.00 . A A . 8 VAL HG13 1 1 3 1618 1 1 8 VAL HG21 H -1.002 2.061 -10.585 1.00 . A A . 8 VAL HG21 1 1 3 1619 1 1 8 VAL HG22 H -0.083 2.070 -9.061 1.00 . A A . 8 VAL HG22 1 1 3 1620 1 1 8 VAL HG23 H -0.631 3.604 -9.779 1.00 . A A . 8 VAL HG23 1 1 3 1621 1 1 8 VAL N N 1.128 0.297 -10.346 1.00 . A A . 8 VAL N 1 1 3 1622 1 1 8 VAL O O 3.369 1.317 -12.783 1.00 . A A . 8 VAL O 1 1 3 1623 1 1 9 CYS C C 5.661 -0.309 -10.087 1.00 . A A . 9 CYS C 1 1 3 1624 1 1 9 CYS CA C 5.197 1.008 -10.713 1.00 . A A . 9 CYS CA 1 1 3 1625 1 1 9 CYS CB C 5.906 2.214 -10.095 1.00 . A A . 9 CYS CB 1 1 3 1626 1 1 9 CYS H H 3.421 1.042 -9.625 1.00 . A A . 9 CYS H 1 1 3 1627 1 1 9 CYS HA H 5.404 1.022 -11.783 1.00 . A A . 9 CYS HA 1 1 3 1628 1 1 9 CYS HB2 H 6.898 2.302 -10.539 1.00 . A A . 9 CYS HB2 1 1 3 1629 1 1 9 CYS HB3 H 5.357 3.117 -10.362 1.00 . A A . 9 CYS HB3 1 1 3 1630 1 1 9 CYS N N 3.754 1.099 -10.566 1.00 . A A . 9 CYS N 1 1 3 1631 1 1 9 CYS O O 6.401 -1.070 -10.710 1.00 . A A . 9 CYS O 1 1 3 1632 1 1 9 CYS SG S 6.082 2.152 -8.275 1.00 . A A . 9 CYS SG 1 1 3 1633 1 1 10 GLY C C 6.006 -1.431 -6.716 1.00 . A A . 10 GLY C 1 1 3 1634 1 1 10 GLY CA C 5.568 -1.750 -8.147 1.00 . A A . 10 GLY CA 1 1 3 1635 1 1 10 GLY H H 4.607 0.086 -8.364 1.00 . A A . 10 GLY H 1 1 3 1636 1 1 10 GLY HA2 H 4.717 -2.431 -8.127 1.00 . A A . 10 GLY HA2 1 1 3 1637 1 1 10 GLY HA3 H 6.374 -2.262 -8.672 1.00 . A A . 10 GLY HA3 1 1 3 1638 1 1 10 GLY N N 5.208 -0.538 -8.863 1.00 . A A . 10 GLY N 1 1 3 1639 1 1 10 GLY O O 7.141 -1.014 -6.489 1.00 . A A . 10 GLY O 1 1 3 1640 1 1 11 TYR C C 4.338 -2.075 -3.486 1.00 . A A . 11 TYR C 1 1 3 1641 1 1 11 TYR CA C 5.360 -1.378 -4.386 1.00 . A A . 11 TYR CA 1 1 3 1642 1 1 11 TYR CB C 5.233 0.136 -4.204 1.00 . A A . 11 TYR CB 1 1 3 1643 1 1 11 TYR CD1 C 6.579 0.464 -2.098 1.00 . A A . 11 TYR CD1 1 1 3 1644 1 1 11 TYR CD2 C 4.293 1.163 -2.102 1.00 . A A . 11 TYR CD2 1 1 3 1645 1 1 11 TYR CE1 C 6.711 0.904 -0.733 1.00 . A A . 11 TYR CE1 1 1 3 1646 1 1 11 TYR CE2 C 4.425 1.603 -0.737 1.00 . A A . 11 TYR CE2 1 1 3 1647 1 1 11 TYR CG C 5.373 0.603 -2.754 1.00 . A A . 11 TYR CG 1 1 3 1648 1 1 11 TYR CZ C 5.627 1.451 -0.120 1.00 . A A . 11 TYR CZ 1 1 3 1649 1 1 11 TYR H H 4.163 -1.977 -5.981 1.00 . A A . 11 TYR H 1 1 3 1650 1 1 11 TYR HA H 6.354 -1.765 -4.162 1.00 . A A . 11 TYR HA 1 1 3 1651 1 1 11 TYR HB2 H 5.993 0.629 -4.809 1.00 . A A . 11 TYR HB2 1 1 3 1652 1 1 11 TYR HB3 H 4.264 0.457 -4.587 1.00 . A A . 11 TYR HB3 1 1 3 1653 1 1 11 TYR HD1 H 7.432 0.022 -2.613 1.00 . A A . 11 TYR HD1 1 1 3 1654 1 1 11 TYR HD2 H 3.340 1.273 -2.621 1.00 . A A . 11 TYR HD2 1 1 3 1655 1 1 11 TYR HE1 H 7.657 0.800 -0.203 1.00 . A A . 11 TYR HE1 1 1 3 1656 1 1 11 TYR HE2 H 3.580 2.047 -0.211 1.00 . A A . 11 TYR HE2 1 1 3 1657 1 1 11 TYR HH H 6.416 2.611 1.226 1.00 . A A . 11 TYR HH 1 1 3 1658 1 1 11 TYR N N 5.083 -1.638 -5.788 1.00 . A A . 11 TYR N 1 1 3 1659 1 1 11 TYR O O 3.168 -1.697 -3.462 1.00 . A A . 11 TYR O 1 1 3 1660 1 1 11 TYR OH O 5.751 1.867 1.169 1.00 . A A . 11 TYR OH 1 1 3 1661 1 1 12 GLU C C 3.982 -3.216 -0.471 1.00 . A A . 12 GLU C 1 1 3 1662 1 1 12 GLU CA C 3.959 -3.835 -1.870 1.00 . A A . 12 GLU CA 1 1 3 1663 1 1 12 GLU CB C 4.371 -5.307 -1.825 1.00 . A A . 12 GLU CB 1 1 3 1664 1 1 12 GLU CD C 6.662 -6.283 -2.228 1.00 . A A . 12 GLU CD 1 1 3 1665 1 1 12 GLU CG C 5.790 -5.463 -1.274 1.00 . A A . 12 GLU CG 1 1 3 1666 1 1 12 GLU H H 5.770 -3.382 -2.795 1.00 . A A . 12 GLU H 1 1 3 1667 1 1 12 GLU HA H 2.957 -3.757 -2.293 1.00 . A A . 12 GLU HA 1 1 3 1668 1 1 12 GLU HB2 H 3.672 -5.866 -1.202 1.00 . A A . 12 GLU HB2 1 1 3 1669 1 1 12 GLU HB3 H 4.317 -5.735 -2.826 1.00 . A A . 12 GLU HB3 1 1 3 1670 1 1 12 GLU HE2 H 7.291 -5.761 -3.924 1.00 . A A . 12 GLU HE2 1 1 3 1671 1 1 12 GLU HG2 H 6.235 -4.479 -1.123 1.00 . A A . 12 GLU HG2 1 1 3 1672 1 1 12 GLU HG3 H 5.754 -5.949 -0.300 1.00 . A A . 12 GLU HG3 1 1 3 1673 1 1 12 GLU N N 4.817 -3.081 -2.769 1.00 . A A . 12 GLU N 1 1 3 1674 1 1 12 GLU O O 5.042 -3.091 0.139 1.00 . A A . 12 GLU O 1 1 3 1675 1 1 12 GLU OE1 O 6.555 -7.518 -2.259 1.00 . A A . 12 GLU OE1 1 1 3 1676 1 1 12 GLU OE2 O 7.472 -5.592 -2.956 1.00 . A A . 12 GLU OE2 1 1 3 1677 1 1 13 TYR C C 2.296 -3.291 2.361 1.00 . A A . 13 TYR C 1 1 3 1678 1 1 13 TYR CA C 2.670 -2.242 1.312 1.00 . A A . 13 TYR CA 1 1 3 1679 1 1 13 TYR CB C 1.534 -1.223 1.199 1.00 . A A . 13 TYR CB 1 1 3 1680 1 1 13 TYR CD1 C 1.561 0.339 3.178 1.00 . A A . 13 TYR CD1 1 1 3 1681 1 1 13 TYR CD2 C -0.075 -1.403 3.133 1.00 . A A . 13 TYR CD2 1 1 3 1682 1 1 13 TYR CE1 C 1.048 0.787 4.447 1.00 . A A . 13 TYR CE1 1 1 3 1683 1 1 13 TYR CE2 C -0.587 -0.955 4.401 1.00 . A A . 13 TYR CE2 1 1 3 1684 1 1 13 TYR CG C 0.989 -0.747 2.547 1.00 . A A . 13 TYR CG 1 1 3 1685 1 1 13 TYR CZ C -0.001 0.118 4.996 1.00 . A A . 13 TYR CZ 1 1 3 1686 1 1 13 TYR H H 1.941 -2.950 -0.507 1.00 . A A . 13 TYR H 1 1 3 1687 1 1 13 TYR HA H 3.631 -1.801 1.576 1.00 . A A . 13 TYR HA 1 1 3 1688 1 1 13 TYR HB2 H 1.888 -0.359 0.637 1.00 . A A . 13 TYR HB2 1 1 3 1689 1 1 13 TYR HB3 H 0.719 -1.665 0.625 1.00 . A A . 13 TYR HB3 1 1 3 1690 1 1 13 TYR HD1 H 2.401 0.858 2.716 1.00 . A A . 13 TYR HD1 1 1 3 1691 1 1 13 TYR HD2 H -0.527 -2.261 2.634 1.00 . A A . 13 TYR HD2 1 1 3 1692 1 1 13 TYR HE1 H 1.491 1.644 4.956 1.00 . A A . 13 TYR HE1 1 1 3 1693 1 1 13 TYR HE2 H -1.427 -1.465 4.875 1.00 . A A . 13 TYR HE2 1 1 3 1694 1 1 13 TYR HH H -0.247 -0.115 6.910 1.00 . A A . 13 TYR HH 1 1 3 1695 1 1 13 TYR N N 2.799 -2.845 -0.004 1.00 . A A . 13 TYR N 1 1 3 1696 1 1 13 TYR O O 1.480 -4.173 2.099 1.00 . A A . 13 TYR O 1 1 3 1697 1 1 13 TYR OH O -0.485 0.541 6.194 1.00 . A A . 13 TYR OH 1 1 3 1698 1 1 14 ASP C C 1.844 -3.374 5.704 1.00 . A A . 14 ASP C 1 1 3 1699 1 1 14 ASP CA C 2.653 -4.085 4.618 1.00 . A A . 14 ASP CA 1 1 3 1700 1 1 14 ASP CB C 3.960 -4.574 5.245 1.00 . A A . 14 ASP CB 1 1 3 1701 1 1 14 ASP CG C 4.029 -6.080 5.504 1.00 . A A . 14 ASP CG 1 1 3 1702 1 1 14 ASP H H 3.573 -2.439 3.733 1.00 . A A . 14 ASP H 1 1 3 1703 1 1 14 ASP HA H 2.108 -4.914 4.167 1.00 . A A . 14 ASP HA 1 1 3 1704 1 1 14 ASP HB2 H 4.786 -4.295 4.592 1.00 . A A . 14 ASP HB2 1 1 3 1705 1 1 14 ASP HB3 H 4.110 -4.051 6.190 1.00 . A A . 14 ASP HB3 1 1 3 1706 1 1 14 ASP HD2 H 5.733 -6.881 5.482 1.00 . A A . 14 ASP HD2 1 1 3 1707 1 1 14 ASP N N 2.911 -3.159 3.527 1.00 . A A . 14 ASP N 1 1 3 1708 1 1 14 ASP O O 2.341 -2.454 6.352 1.00 . A A . 14 ASP O 1 1 3 1709 1 1 14 ASP OD1 O 3.230 -6.633 6.275 1.00 . A A . 14 ASP OD1 1 1 3 1710 1 1 14 ASP OD2 O 4.964 -6.701 4.868 1.00 . A A . 14 ASP OD2 1 1 3 1711 1 1 15 PRO C C 0.085 -3.708 8.279 1.00 . A A . 15 PRO C 1 1 3 1712 1 1 15 PRO CA C -0.306 -3.257 6.871 1.00 . A A . 15 PRO CA 1 1 3 1713 1 1 15 PRO CB C -1.702 -3.707 6.470 1.00 . A A . 15 PRO CB 1 1 3 1714 1 1 15 PRO CD C -0.046 -4.926 5.125 1.00 . A A . 15 PRO CD 1 1 3 1715 1 1 15 PRO CG C -1.507 -4.896 5.543 1.00 . A A . 15 PRO CG 1 1 3 1716 1 1 15 PRO HA H -0.223 -2.261 6.869 1.00 . A A . 15 PRO HA 1 1 3 1717 1 1 15 PRO HB2 H -2.289 -3.985 7.345 1.00 . A A . 15 PRO HB2 1 1 3 1718 1 1 15 PRO HB3 H -2.241 -2.904 5.966 1.00 . A A . 15 PRO HB3 1 1 3 1719 1 1 15 PRO HD2 H 0.415 -5.885 5.362 1.00 . A A . 15 PRO HD2 1 1 3 1720 1 1 15 PRO HD3 H 0.061 -4.779 4.050 1.00 . A A . 15 PRO HD3 1 1 3 1721 1 1 15 PRO HG2 H -1.778 -5.822 6.049 1.00 . A A . 15 PRO HG2 1 1 3 1722 1 1 15 PRO HG3 H -2.152 -4.809 4.669 1.00 . A A . 15 PRO HG3 1 1 3 1723 1 1 15 PRO N N 0.577 -3.839 5.874 1.00 . A A . 15 PRO N 1 1 3 1724 1 1 15 PRO O O -0.084 -2.962 9.243 1.00 . A A . 15 PRO O 1 1 3 1725 1 1 16 ALA C C 2.255 -4.736 10.130 1.00 . A A . 16 ALA C 1 1 3 1726 1 1 16 ALA CA C 1.018 -5.485 9.630 1.00 . A A . 16 ALA CA 1 1 3 1727 1 1 16 ALA CB C 1.269 -6.986 9.472 1.00 . A A . 16 ALA CB 1 1 3 1728 1 1 16 ALA H H 0.735 -5.526 7.566 1.00 . A A . 16 ALA H 1 1 3 1729 1 1 16 ALA HA H 0.203 -5.338 10.339 1.00 . A A . 16 ALA HA 1 1 3 1730 1 1 16 ALA HB1 H 0.664 -7.371 8.651 1.00 . A A . 16 ALA HB1 1 1 3 1731 1 1 16 ALA HB2 H 2.324 -7.157 9.257 1.00 . A A . 16 ALA HB2 1 1 3 1732 1 1 16 ALA HB3 H 0.998 -7.498 10.395 1.00 . A A . 16 ALA HB3 1 1 3 1733 1 1 16 ALA N N 0.601 -4.926 8.355 1.00 . A A . 16 ALA N 1 1 3 1734 1 1 16 ALA O O 2.636 -4.866 11.292 1.00 . A A . 16 ALA O 1 1 3 1735 1 1 17 GLU C C 3.706 -1.704 9.591 1.00 . A A . 17 GLU C 1 1 3 1736 1 1 17 GLU CA C 4.033 -3.198 9.562 1.00 . A A . 17 GLU CA 1 1 3 1737 1 1 17 GLU CB C 5.172 -3.491 8.583 1.00 . A A . 17 GLU CB 1 1 3 1738 1 1 17 GLU CD C 7.203 -4.145 9.927 1.00 . A A . 17 GLU CD 1 1 3 1739 1 1 17 GLU CG C 6.515 -3.023 9.147 1.00 . A A . 17 GLU CG 1 1 3 1740 1 1 17 GLU H H 2.531 -3.867 8.284 1.00 . A A . 17 GLU H 1 1 3 1741 1 1 17 GLU HA H 4.324 -3.533 10.558 1.00 . A A . 17 GLU HA 1 1 3 1742 1 1 17 GLU HB2 H 5.213 -4.560 8.377 1.00 . A A . 17 GLU HB2 1 1 3 1743 1 1 17 GLU HB3 H 4.978 -2.991 7.634 1.00 . A A . 17 GLU HB3 1 1 3 1744 1 1 17 GLU HE2 H 7.840 -5.915 9.836 1.00 . A A . 17 GLU HE2 1 1 3 1745 1 1 17 GLU HG2 H 7.160 -2.692 8.334 1.00 . A A . 17 GLU HG2 1 1 3 1746 1 1 17 GLU HG3 H 6.359 -2.164 9.800 1.00 . A A . 17 GLU HG3 1 1 3 1747 1 1 17 GLU N N 2.847 -3.968 9.227 1.00 . A A . 17 GLU N 1 1 3 1748 1 1 17 GLU O O 3.945 -1.032 10.593 1.00 . A A . 17 GLU O 1 1 3 1749 1 1 17 GLU OE1 O 7.459 -3.996 11.131 1.00 . A A . 17 GLU OE1 1 1 3 1750 1 1 17 GLU OE2 O 7.471 -5.203 9.239 1.00 . A A . 17 GLU OE2 1 1 3 1751 1 1 18 GLY C C 3.599 0.858 7.254 1.00 . A A . 18 GLY C 1 1 3 1752 1 1 18 GLY CA C 2.800 0.174 8.366 1.00 . A A . 18 GLY CA 1 1 3 1753 1 1 18 GLY H H 2.972 -1.781 7.670 1.00 . A A . 18 GLY H 1 1 3 1754 1 1 18 GLY HA2 H 1.734 0.262 8.159 1.00 . A A . 18 GLY HA2 1 1 3 1755 1 1 18 GLY HA3 H 2.984 0.680 9.314 1.00 . A A . 18 GLY HA3 1 1 3 1756 1 1 18 GLY N N 3.163 -1.228 8.480 1.00 . A A . 18 GLY N 1 1 3 1757 1 1 18 GLY O O 3.695 0.339 6.144 1.00 . A A . 18 GLY O 1 1 3 1758 1 1 19 ASP C C 5.447 4.054 7.304 1.00 . A A . 19 ASP C 1 1 3 1759 1 1 19 ASP CA C 4.939 2.775 6.637 1.00 . A A . 19 ASP CA 1 1 3 1760 1 1 19 ASP CB C 4.097 3.176 5.424 1.00 . A A . 19 ASP CB 1 1 3 1761 1 1 19 ASP CG C 4.815 3.079 4.077 1.00 . A A . 19 ASP CG 1 1 3 1762 1 1 19 ASP H H 4.069 2.430 8.498 1.00 . A A . 19 ASP H 1 1 3 1763 1 1 19 ASP HA H 5.750 2.110 6.340 1.00 . A A . 19 ASP HA 1 1 3 1764 1 1 19 ASP HB2 H 3.209 2.544 5.392 1.00 . A A . 19 ASP HB2 1 1 3 1765 1 1 19 ASP HB3 H 3.753 4.201 5.563 1.00 . A A . 19 ASP HB3 1 1 3 1766 1 1 19 ASP HD2 H 5.206 1.537 3.068 1.00 . A A . 19 ASP HD2 1 1 3 1767 1 1 19 ASP N N 4.152 2.014 7.592 1.00 . A A . 19 ASP N 1 1 3 1768 1 1 19 ASP O O 4.655 4.863 7.787 1.00 . A A . 19 ASP O 1 1 3 1769 1 1 19 ASP OD1 O 5.701 3.888 3.765 1.00 . A A . 19 ASP OD1 1 1 3 1770 1 1 19 ASP OD2 O 4.425 2.109 3.320 1.00 . A A . 19 ASP OD2 1 1 3 1771 1 1 20 PRO C C 7.256 6.600 7.017 1.00 . A A . 20 PRO C 1 1 3 1772 1 1 20 PRO CA C 7.421 5.370 7.911 1.00 . A A . 20 PRO CA 1 1 3 1773 1 1 20 PRO CB C 8.874 4.978 8.120 1.00 . A A . 20 PRO CB 1 1 3 1774 1 1 20 PRO CD C 7.767 3.265 6.749 1.00 . A A . 20 PRO CD 1 1 3 1775 1 1 20 PRO CG C 9.119 3.785 7.209 1.00 . A A . 20 PRO CG 1 1 3 1776 1 1 20 PRO HA H 6.971 5.598 8.775 1.00 . A A . 20 PRO HA 1 1 3 1777 1 1 20 PRO HB2 H 9.541 5.803 7.870 1.00 . A A . 20 PRO HB2 1 1 3 1778 1 1 20 PRO HB3 H 9.064 4.719 9.161 1.00 . A A . 20 PRO HB3 1 1 3 1779 1 1 20 PRO HD2 H 7.704 3.236 5.661 1.00 . A A . 20 PRO HD2 1 1 3 1780 1 1 20 PRO HD3 H 7.590 2.251 7.106 1.00 . A A . 20 PRO HD3 1 1 3 1781 1 1 20 PRO HG2 H 9.728 4.077 6.353 1.00 . A A . 20 PRO HG2 1 1 3 1782 1 1 20 PRO HG3 H 9.667 3.006 7.739 1.00 . A A . 20 PRO HG3 1 1 3 1783 1 1 20 PRO N N 6.798 4.202 7.311 1.00 . A A . 20 PRO N 1 1 3 1784 1 1 20 PRO O O 7.064 7.710 7.511 1.00 . A A . 20 PRO O 1 1 3 1785 1 1 21 ASP C C 6.073 8.373 5.189 1.00 . A A . 21 ASP C 1 1 3 1786 1 1 21 ASP CA C 7.199 7.436 4.748 1.00 . A A . 21 ASP CA 1 1 3 1787 1 1 21 ASP CB C 6.844 6.889 3.364 1.00 . A A . 21 ASP CB 1 1 3 1788 1 1 21 ASP CG C 7.426 7.677 2.188 1.00 . A A . 21 ASP CG 1 1 3 1789 1 1 21 ASP H H 7.493 5.456 5.322 1.00 . A A . 21 ASP H 1 1 3 1790 1 1 21 ASP HA H 8.170 7.931 4.729 1.00 . A A . 21 ASP HA 1 1 3 1791 1 1 21 ASP HB2 H 7.190 5.858 3.298 1.00 . A A . 21 ASP HB2 1 1 3 1792 1 1 21 ASP HB3 H 5.759 6.868 3.266 1.00 . A A . 21 ASP HB3 1 1 3 1793 1 1 21 ASP HD2 H 7.339 9.492 1.694 1.00 . A A . 21 ASP HD2 1 1 3 1794 1 1 21 ASP N N 7.337 6.362 5.716 1.00 . A A . 21 ASP N 1 1 3 1795 1 1 21 ASP O O 6.251 9.590 5.226 1.00 . A A . 21 ASP O 1 1 3 1796 1 1 21 ASP OD1 O 8.484 7.325 1.646 1.00 . A A . 21 ASP OD1 1 1 3 1797 1 1 21 ASP OD2 O 6.736 8.705 1.827 1.00 . A A . 21 ASP OD2 1 1 3 1798 1 1 22 ASN C C 3.457 8.175 7.401 1.00 . A A . 22 ASN C 1 1 3 1799 1 1 22 ASN CA C 3.783 8.535 5.950 1.00 . A A . 22 ASN CA 1 1 3 1800 1 1 22 ASN CB C 2.554 8.214 5.097 1.00 . A A . 22 ASN CB 1 1 3 1801 1 1 22 ASN CG C 2.550 9.041 3.810 1.00 . A A . 22 ASN CG 1 1 3 1802 1 1 22 ASN H H 4.801 6.780 5.480 1.00 . A A . 22 ASN H 1 1 3 1803 1 1 22 ASN HA H 4.071 9.580 5.834 1.00 . A A . 22 ASN HA 1 1 3 1804 1 1 22 ASN HB2 H 2.545 7.153 4.851 1.00 . A A . 22 ASN HB2 1 1 3 1805 1 1 22 ASN HB3 H 1.648 8.418 5.667 1.00 . A A . 22 ASN HB3 1 1 3 1806 1 1 22 ASN HD21 H 4.019 7.847 3.093 1.00 . A A . 22 ASN HD21 1 1 3 1807 1 1 22 ASN HD22 H 3.503 9.109 2.025 1.00 . A A . 22 ASN HD22 1 1 3 1808 1 1 22 ASN N N 4.938 7.770 5.513 1.00 . A A . 22 ASN N 1 1 3 1809 1 1 22 ASN ND2 N 3.430 8.632 2.901 1.00 . A A . 22 ASN ND2 1 1 3 1810 1 1 22 ASN O O 2.291 8.138 7.789 1.00 . A A . 22 ASN O 1 1 3 1811 1 1 22 ASN OD1 O 1.797 9.988 3.652 1.00 . A A . 22 ASN OD1 1 1 3 1812 1 1 23 GLY C C 3.089 6.725 9.777 1.00 . A A . 23 GLY C 1 1 3 1813 1 1 23 GLY CA C 4.351 7.564 9.564 1.00 . A A . 23 GLY CA 1 1 3 1814 1 1 23 GLY H H 5.456 7.952 7.841 1.00 . A A . 23 GLY H 1 1 3 1815 1 1 23 GLY HA2 H 5.224 7.006 9.902 1.00 . A A . 23 GLY HA2 1 1 3 1816 1 1 23 GLY HA3 H 4.297 8.468 10.169 1.00 . A A . 23 GLY HA3 1 1 3 1817 1 1 23 GLY N N 4.510 7.919 8.164 1.00 . A A . 23 GLY N 1 1 3 1818 1 1 23 GLY O O 2.003 7.269 9.967 1.00 . A A . 23 GLY O 1 1 3 1819 1 1 24 VAL C C 2.564 3.419 10.935 1.00 . A A . 24 VAL C 1 1 3 1820 1 1 24 VAL CA C 2.165 4.494 9.923 1.00 . A A . 24 VAL CA 1 1 3 1821 1 1 24 VAL CB C 1.734 3.915 8.574 1.00 . A A . 24 VAL CB 1 1 3 1822 1 1 24 VAL CG1 C 0.908 2.642 8.763 1.00 . A A . 24 VAL CG1 1 1 3 1823 1 1 24 VAL CG2 C 0.964 4.952 7.753 1.00 . A A . 24 VAL CG2 1 1 3 1824 1 1 24 VAL H H 4.162 4.979 9.581 1.00 . A A . 24 VAL H 1 1 3 1825 1 1 24 VAL HA H 1.330 5.065 10.328 1.00 . A A . 24 VAL HA 1 1 3 1826 1 1 24 VAL HB H 2.634 3.651 8.019 1.00 . A A . 24 VAL HB 1 1 3 1827 1 1 24 VAL HG11 H 1.429 1.968 9.443 1.00 . A A . 24 VAL HG11 1 1 3 1828 1 1 24 VAL HG12 H -0.065 2.899 9.182 1.00 . A A . 24 VAL HG12 1 1 3 1829 1 1 24 VAL HG13 H 0.771 2.151 7.800 1.00 . A A . 24 VAL HG13 1 1 3 1830 1 1 24 VAL HG21 H 1.516 5.891 7.744 1.00 . A A . 24 VAL HG21 1 1 3 1831 1 1 24 VAL HG22 H 0.844 4.590 6.732 1.00 . A A . 24 VAL HG22 1 1 3 1832 1 1 24 VAL HG23 H -0.018 5.112 8.199 1.00 . A A . 24 VAL HG23 1 1 3 1833 1 1 24 VAL N N 3.275 5.414 9.737 1.00 . A A . 24 VAL N 1 1 3 1834 1 1 24 VAL O O 3.728 3.027 11.004 1.00 . A A . 24 VAL O 1 1 3 1835 1 1 25 LYS C C 1.530 0.572 12.096 1.00 . A A . 25 LYS C 1 1 3 1836 1 1 25 LYS CA C 1.808 1.950 12.702 1.00 . A A . 25 LYS CA 1 1 3 1837 1 1 25 LYS CB C 0.992 2.243 13.963 1.00 . A A . 25 LYS CB 1 1 3 1838 1 1 25 LYS CD C 0.897 4.693 14.551 1.00 . A A . 25 LYS CD 1 1 3 1839 1 1 25 LYS CE C -0.280 4.842 15.517 1.00 . A A . 25 LYS CE 1 1 3 1840 1 1 25 LYS CG C 1.630 3.369 14.778 1.00 . A A . 25 LYS CG 1 1 3 1841 1 1 25 LYS H H 0.631 3.297 11.634 1.00 . A A . 25 LYS H 1 1 3 1842 1 1 25 LYS HA H 2.861 1.999 12.980 1.00 . A A . 25 LYS HA 1 1 3 1843 1 1 25 LYS HB2 H -0.025 2.520 13.686 1.00 . A A . 25 LYS HB2 1 1 3 1844 1 1 25 LYS HB3 H 0.922 1.342 14.572 1.00 . A A . 25 LYS HB3 1 1 3 1845 1 1 25 LYS HD2 H 1.590 5.524 14.686 1.00 . A A . 25 LYS HD2 1 1 3 1846 1 1 25 LYS HD3 H 0.538 4.742 13.523 1.00 . A A . 25 LYS HD3 1 1 3 1847 1 1 25 LYS HE2 H -0.169 4.141 16.344 1.00 . A A . 25 LYS HE2 1 1 3 1848 1 1 25 LYS HE3 H -0.282 5.844 15.945 1.00 . A A . 25 LYS HE3 1 1 3 1849 1 1 25 LYS HG2 H 1.606 3.114 15.838 1.00 . A A . 25 LYS HG2 1 1 3 1850 1 1 25 LYS HG3 H 2.678 3.477 14.500 1.00 . A A . 25 LYS HG3 1 1 3 1851 1 1 25 LYS HZ1 H -1.416 4.245 13.874 1.00 . A A . 25 LYS HZ1 1 1 3 1852 1 1 25 LYS HZ3 H -2.119 5.434 14.736 1.00 . A A . 25 LYS HZ3 1 1 3 1853 1 1 25 LYS N N 1.575 2.972 11.696 1.00 . A A . 25 LYS N 1 1 3 1854 1 1 25 LYS NZ N -1.560 4.592 14.816 1.00 . A A . 25 LYS NZ 1 1 3 1855 1 1 25 LYS O O 0.856 0.465 11.073 1.00 . A A . 25 LYS O 1 1 3 1856 1 1 26 PRO C C 0.484 -2.338 12.617 1.00 . A A . 26 PRO C 1 1 3 1857 1 1 26 PRO CA C 1.898 -1.839 12.310 1.00 . A A . 26 PRO CA 1 1 3 1858 1 1 26 PRO CB C 2.977 -2.641 13.018 1.00 . A A . 26 PRO CB 1 1 3 1859 1 1 26 PRO CD C 2.884 -0.383 13.985 1.00 . A A . 26 PRO CD 1 1 3 1860 1 1 26 PRO CG C 3.423 -1.789 14.196 1.00 . A A . 26 PRO CG 1 1 3 1861 1 1 26 PRO HA H 1.994 -1.886 11.315 1.00 . A A . 26 PRO HA 1 1 3 1862 1 1 26 PRO HB2 H 2.592 -3.603 13.356 1.00 . A A . 26 PRO HB2 1 1 3 1863 1 1 26 PRO HB3 H 3.812 -2.849 12.349 1.00 . A A . 26 PRO HB3 1 1 3 1864 1 1 26 PRO HD2 H 2.284 -0.058 14.835 1.00 . A A . 26 PRO HD2 1 1 3 1865 1 1 26 PRO HD3 H 3.694 0.338 13.871 1.00 . A A . 26 PRO HD3 1 1 3 1866 1 1 26 PRO HG2 H 3.049 -2.205 15.131 1.00 . A A . 26 PRO HG2 1 1 3 1867 1 1 26 PRO HG3 H 4.511 -1.774 14.266 1.00 . A A . 26 PRO HG3 1 1 3 1868 1 1 26 PRO N N 2.079 -0.473 12.770 1.00 . A A . 26 PRO N 1 1 3 1869 1 1 26 PRO O O -0.099 -1.972 13.636 1.00 . A A . 26 PRO O 1 1 3 1870 1 1 27 GLY C C -2.402 -2.849 11.175 1.00 . A A . 27 GLY C 1 1 3 1871 1 1 27 GLY CA C -1.359 -3.719 11.879 1.00 . A A . 27 GLY CA 1 1 3 1872 1 1 27 GLY H H 0.456 -3.459 10.890 1.00 . A A . 27 GLY H 1 1 3 1873 1 1 27 GLY HA2 H -1.389 -4.730 11.472 1.00 . A A . 27 GLY HA2 1 1 3 1874 1 1 27 GLY HA3 H -1.599 -3.795 12.939 1.00 . A A . 27 GLY HA3 1 1 3 1875 1 1 27 GLY N N -0.025 -3.166 11.717 1.00 . A A . 27 GLY N 1 1 3 1876 1 1 27 GLY O O -3.510 -3.306 10.895 1.00 . A A . 27 GLY O 1 1 3 1877 1 1 28 THR C C -3.311 -1.210 8.871 1.00 . A A . 28 THR C 1 1 3 1878 1 1 28 THR CA C -2.900 -0.673 10.243 1.00 . A A . 28 THR CA 1 1 3 1879 1 1 28 THR CB C -2.193 0.682 10.179 1.00 . A A . 28 THR CB 1 1 3 1880 1 1 28 THR CG2 C -3.074 1.773 9.568 1.00 . A A . 28 THR CG2 1 1 3 1881 1 1 28 THR H H -1.110 -1.248 11.140 1.00 . A A . 28 THR H 1 1 3 1882 1 1 28 THR HA H -3.810 -0.581 10.836 1.00 . A A . 28 THR HA 1 1 3 1883 1 1 28 THR HB H -1.246 0.602 9.646 1.00 . A A . 28 THR HB 1 1 3 1884 1 1 28 THR HG1 H -1.092 1.165 11.779 1.00 . A A . 28 THR HG1 1 1 3 1885 1 1 28 THR HG21 H -3.947 1.317 9.101 1.00 . A A . 28 THR HG21 1 1 3 1886 1 1 28 THR HG22 H -3.398 2.460 10.350 1.00 . A A . 28 THR HG22 1 1 3 1887 1 1 28 THR HG23 H -2.505 2.321 8.817 1.00 . A A . 28 THR HG23 1 1 3 1888 1 1 28 THR N N -2.012 -1.611 10.909 1.00 . A A . 28 THR N 1 1 3 1889 1 1 28 THR O O -2.555 -1.944 8.236 1.00 . A A . 28 THR O 1 1 3 1890 1 1 28 THR OG1 O -2.059 1.069 11.544 1.00 . A A . 28 THR OG1 1 1 3 1891 1 1 29 SER C C -4.972 -0.102 6.165 1.00 . A A . 29 SER C 1 1 3 1892 1 1 29 SER CA C -5.028 -1.257 7.168 1.00 . A A . 29 SER CA 1 1 3 1893 1 1 29 SER CB C -6.460 -1.776 7.301 1.00 . A A . 29 SER CB 1 1 3 1894 1 1 29 SER H H -5.116 -0.226 8.976 1.00 . A A . 29 SER H 1 1 3 1895 1 1 29 SER HA H -4.375 -2.070 6.852 1.00 . A A . 29 SER HA 1 1 3 1896 1 1 29 SER HB2 H -6.442 -2.854 7.462 1.00 . A A . 29 SER HB2 1 1 3 1897 1 1 29 SER HB3 H -6.928 -1.331 8.179 1.00 . A A . 29 SER HB3 1 1 3 1898 1 1 29 SER HG H -7.715 -2.308 5.835 1.00 . A A . 29 SER HG 1 1 3 1899 1 1 29 SER N N -4.507 -0.823 8.454 1.00 . A A . 29 SER N 1 1 3 1900 1 1 29 SER O O -5.065 1.063 6.549 1.00 . A A . 29 SER O 1 1 3 1901 1 1 29 SER OG O -7.244 -1.483 6.147 1.00 . A A . 29 SER OG 1 1 3 1902 1 1 30 PHE C C -6.043 1.345 3.771 1.00 . A A . 30 PHE C 1 1 3 1903 1 1 30 PHE CA C -4.753 0.524 3.840 1.00 . A A . 30 PHE CA 1 1 3 1904 1 1 30 PHE CB C -4.578 -0.239 2.525 1.00 . A A . 30 PHE CB 1 1 3 1905 1 1 30 PHE CD1 C -2.555 0.608 1.316 1.00 . A A . 30 PHE CD1 1 1 3 1906 1 1 30 PHE CD2 C -4.674 1.271 0.529 1.00 . A A . 30 PHE CD2 1 1 3 1907 1 1 30 PHE CE1 C -1.936 1.366 0.287 1.00 . A A . 30 PHE CE1 1 1 3 1908 1 1 30 PHE CE2 C -4.055 2.028 -0.500 1.00 . A A . 30 PHE CE2 1 1 3 1909 1 1 30 PHE CG C -3.911 0.577 1.416 1.00 . A A . 30 PHE CG 1 1 3 1910 1 1 30 PHE CZ C -2.699 2.059 -0.600 1.00 . A A . 30 PHE CZ 1 1 3 1911 1 1 30 PHE H H -4.748 -1.416 4.597 1.00 . A A . 30 PHE H 1 1 3 1912 1 1 30 PHE HA H -3.917 1.185 4.067 1.00 . A A . 30 PHE HA 1 1 3 1913 1 1 30 PHE HB2 H -3.983 -1.133 2.713 1.00 . A A . 30 PHE HB2 1 1 3 1914 1 1 30 PHE HB3 H -5.556 -0.574 2.178 1.00 . A A . 30 PHE HB3 1 1 3 1915 1 1 30 PHE HD1 H -1.943 0.052 2.027 1.00 . A A . 30 PHE HD1 1 1 3 1916 1 1 30 PHE HD2 H -5.761 1.246 0.609 1.00 . A A . 30 PHE HD2 1 1 3 1917 1 1 30 PHE HE1 H -0.849 1.391 0.207 1.00 . A A . 30 PHE HE1 1 1 3 1918 1 1 30 PHE HE2 H -4.667 2.584 -1.211 1.00 . A A . 30 PHE HE2 1 1 3 1919 1 1 30 PHE HZ H -2.224 2.641 -1.390 1.00 . A A . 30 PHE HZ 1 1 3 1920 1 1 30 PHE N N -4.822 -0.466 4.900 1.00 . A A . 30 PHE N 1 1 3 1921 1 1 30 PHE O O -6.011 2.533 3.454 1.00 . A A . 30 PHE O 1 1 3 1922 1 1 31 ASP C C -8.473 2.440 5.103 1.00 . A A . 31 ASP C 1 1 3 1923 1 1 31 ASP CA C -8.446 1.330 4.050 1.00 . A A . 31 ASP CA 1 1 3 1924 1 1 31 ASP CB C -9.565 0.340 4.378 1.00 . A A . 31 ASP CB 1 1 3 1925 1 1 31 ASP CG C -10.417 -0.092 3.183 1.00 . A A . 31 ASP CG 1 1 3 1926 1 1 31 ASP H H -7.165 -0.289 4.330 1.00 . A A . 31 ASP H 1 1 3 1927 1 1 31 ASP HA H -8.555 1.714 3.036 1.00 . A A . 31 ASP HA 1 1 3 1928 1 1 31 ASP HB2 H -9.124 -0.548 4.831 1.00 . A A . 31 ASP HB2 1 1 3 1929 1 1 31 ASP HB3 H -10.218 0.789 5.127 1.00 . A A . 31 ASP HB3 1 1 3 1930 1 1 31 ASP HD2 H -10.502 -1.968 3.325 1.00 . A A . 31 ASP HD2 1 1 3 1931 1 1 31 ASP N N -7.147 0.678 4.073 1.00 . A A . 31 ASP N 1 1 3 1932 1 1 31 ASP O O -9.355 3.297 5.084 1.00 . A A . 31 ASP O 1 1 3 1933 1 1 31 ASP OD1 O -10.425 0.568 2.133 1.00 . A A . 31 ASP OD1 1 1 3 1934 1 1 31 ASP OD2 O -11.103 -1.169 3.364 1.00 . A A . 31 ASP OD2 1 1 3 1935 1 1 32 ASP C C -6.390 4.458 6.645 1.00 . A A . 32 ASP C 1 1 3 1936 1 1 32 ASP CA C -7.396 3.380 7.054 1.00 . A A . 32 ASP CA 1 1 3 1937 1 1 32 ASP CB C -6.906 2.746 8.357 1.00 . A A . 32 ASP CB 1 1 3 1938 1 1 32 ASP CG C -7.736 3.090 9.596 1.00 . A A . 32 ASP CG 1 1 3 1939 1 1 32 ASP H H -6.781 1.689 6.004 1.00 . A A . 32 ASP H 1 1 3 1940 1 1 32 ASP HA H -8.405 3.774 7.172 1.00 . A A . 32 ASP HA 1 1 3 1941 1 1 32 ASP HB2 H -6.894 1.663 8.235 1.00 . A A . 32 ASP HB2 1 1 3 1942 1 1 32 ASP HB3 H -5.876 3.059 8.531 1.00 . A A . 32 ASP HB3 1 1 3 1943 1 1 32 ASP HD2 H -8.218 4.497 10.750 1.00 . A A . 32 ASP HD2 1 1 3 1944 1 1 32 ASP N N -7.495 2.389 5.996 1.00 . A A . 32 ASP N 1 1 3 1945 1 1 32 ASP O O -6.487 5.602 7.086 1.00 . A A . 32 ASP O 1 1 3 1946 1 1 32 ASP OD1 O -8.577 2.295 10.041 1.00 . A A . 32 ASP OD1 1 1 3 1947 1 1 32 ASP OD2 O -7.488 4.244 10.115 1.00 . A A . 32 ASP OD2 1 1 3 1948 1 1 33 LEU C C -5.084 6.281 4.894 1.00 . A A . 33 LEU C 1 1 3 1949 1 1 33 LEU CA C -4.425 4.971 5.332 1.00 . A A . 33 LEU CA 1 1 3 1950 1 1 33 LEU CB C -3.579 4.313 4.240 1.00 . A A . 33 LEU CB 1 1 3 1951 1 1 33 LEU CD1 C -1.777 2.695 3.537 1.00 . A A . 33 LEU CD1 1 1 3 1952 1 1 33 LEU CD2 C -1.547 4.000 5.700 1.00 . A A . 33 LEU CD2 1 1 3 1953 1 1 33 LEU CG C -2.511 3.328 4.720 1.00 . A A . 33 LEU CG 1 1 3 1954 1 1 33 LEU H H -5.376 3.122 5.451 1.00 . A A . 33 LEU H 1 1 3 1955 1 1 33 LEU HA H -3.761 5.182 6.170 1.00 . A A . 33 LEU HA 1 1 3 1956 1 1 33 LEU HB2 H -4.248 3.789 3.557 1.00 . A A . 33 LEU HB2 1 1 3 1957 1 1 33 LEU HB3 H -3.088 5.099 3.665 1.00 . A A . 33 LEU HB3 1 1 3 1958 1 1 33 LEU HD11 H -1.037 3.397 3.151 1.00 . A A . 33 LEU HD11 1 1 3 1959 1 1 33 LEU HD12 H -1.277 1.784 3.865 1.00 . A A . 33 LEU HD12 1 1 3 1960 1 1 33 LEU HD13 H -2.493 2.454 2.752 1.00 . A A . 33 LEU HD13 1 1 3 1961 1 1 33 LEU HD21 H -0.529 3.920 5.320 1.00 . A A . 33 LEU HD21 1 1 3 1962 1 1 33 LEU HD22 H -1.813 5.051 5.809 1.00 . A A . 33 LEU HD22 1 1 3 1963 1 1 33 LEU HD23 H -1.613 3.507 6.670 1.00 . A A . 33 LEU HD23 1 1 3 1964 1 1 33 LEU HG H -3.008 2.522 5.259 1.00 . A A . 33 LEU HG 1 1 3 1965 1 1 33 LEU N N -5.447 4.054 5.806 1.00 . A A . 33 LEU N 1 1 3 1966 1 1 33 LEU O O -6.251 6.294 4.507 1.00 . A A . 33 LEU O 1 1 3 1967 1 1 34 PRO C C -4.868 8.820 3.065 1.00 . A A . 34 PRO C 1 1 3 1968 1 1 34 PRO CA C -4.779 8.691 4.587 1.00 . A A . 34 PRO CA 1 1 3 1969 1 1 34 PRO CB C -3.804 9.676 5.211 1.00 . A A . 34 PRO CB 1 1 3 1970 1 1 34 PRO CD C -2.898 7.402 5.424 1.00 . A A . 34 PRO CD 1 1 3 1971 1 1 34 PRO CG C -2.549 8.878 5.526 1.00 . A A . 34 PRO CG 1 1 3 1972 1 1 34 PRO HA H -5.710 8.825 4.928 1.00 . A A . 34 PRO HA 1 1 3 1973 1 1 34 PRO HB2 H -3.585 10.495 4.526 1.00 . A A . 34 PRO HB2 1 1 3 1974 1 1 34 PRO HB3 H -4.222 10.120 6.115 1.00 . A A . 34 PRO HB3 1 1 3 1975 1 1 34 PRO HD2 H -2.243 6.888 4.720 1.00 . A A . 34 PRO HD2 1 1 3 1976 1 1 34 PRO HD3 H -2.787 6.902 6.386 1.00 . A A . 34 PRO HD3 1 1 3 1977 1 1 34 PRO HG2 H -1.751 9.131 4.828 1.00 . A A . 34 PRO HG2 1 1 3 1978 1 1 34 PRO HG3 H -2.186 9.117 6.525 1.00 . A A . 34 PRO HG3 1 1 3 1979 1 1 34 PRO N N -4.286 7.380 4.971 1.00 . A A . 34 PRO N 1 1 3 1980 1 1 34 PRO O O -3.967 8.387 2.349 1.00 . A A . 34 PRO O 1 1 3 1981 1 1 35 ALA C C -4.929 10.229 0.568 1.00 . A A . 35 ALA C 1 1 3 1982 1 1 35 ALA CA C -6.180 9.609 1.193 1.00 . A A . 35 ALA CA 1 1 3 1983 1 1 35 ALA CB C -7.427 10.469 0.978 1.00 . A A . 35 ALA CB 1 1 3 1984 1 1 35 ALA H H -6.690 9.767 3.206 1.00 . A A . 35 ALA H 1 1 3 1985 1 1 35 ALA HA H -6.350 8.628 0.749 1.00 . A A . 35 ALA HA 1 1 3 1986 1 1 35 ALA HB1 H -7.239 11.187 0.179 1.00 . A A . 35 ALA HB1 1 1 3 1987 1 1 35 ALA HB2 H -8.266 9.831 0.704 1.00 . A A . 35 ALA HB2 1 1 3 1988 1 1 35 ALA HB3 H -7.662 11.004 1.899 1.00 . A A . 35 ALA HB3 1 1 3 1989 1 1 35 ALA N N -5.962 9.418 2.617 1.00 . A A . 35 ALA N 1 1 3 1990 1 1 35 ALA O O -4.537 9.863 -0.539 1.00 . A A . 35 ALA O 1 1 3 1991 1 1 36 ASP C C -2.033 10.798 0.608 1.00 . A A . 36 ASP C 1 1 3 1992 1 1 36 ASP CA C -3.137 11.831 0.838 1.00 . A A . 36 ASP CA 1 1 3 1993 1 1 36 ASP CB C -2.633 12.840 1.872 1.00 . A A . 36 ASP CB 1 1 3 1994 1 1 36 ASP CG C -2.817 12.416 3.331 1.00 . A A . 36 ASP CG 1 1 3 1995 1 1 36 ASP H H -4.661 11.448 2.205 1.00 . A A . 36 ASP H 1 1 3 1996 1 1 36 ASP HA H -3.433 12.337 -0.081 1.00 . A A . 36 ASP HA 1 1 3 1997 1 1 36 ASP HB2 H -1.574 13.023 1.693 1.00 . A A . 36 ASP HB2 1 1 3 1998 1 1 36 ASP HB3 H -3.151 13.786 1.717 1.00 . A A . 36 ASP HB3 1 1 3 1999 1 1 36 ASP HD2 H -4.335 13.511 3.537 1.00 . A A . 36 ASP HD2 1 1 3 2000 1 1 36 ASP N N -4.336 11.157 1.306 1.00 . A A . 36 ASP N 1 1 3 2001 1 1 36 ASP O O -1.155 10.998 -0.230 1.00 . A A . 36 ASP O 1 1 3 2002 1 1 36 ASP OD1 O -1.879 11.926 3.977 1.00 . A A . 36 ASP OD1 1 1 3 2003 1 1 36 ASP OD2 O -3.999 12.610 3.811 1.00 . A A . 36 ASP OD2 1 1 3 2004 1 1 37 TRP C C -1.091 8.192 -0.202 1.00 . A A . 37 TRP C 1 1 3 2005 1 1 37 TRP CA C -1.130 8.650 1.257 1.00 . A A . 37 TRP CA 1 1 3 2006 1 1 37 TRP CB C -1.443 7.513 2.233 1.00 . A A . 37 TRP CB 1 1 3 2007 1 1 37 TRP CD1 C 0.552 6.268 3.297 1.00 . A A . 37 TRP CD1 1 1 3 2008 1 1 37 TRP CD2 C -0.069 5.419 1.347 1.00 . A A . 37 TRP CD2 1 1 3 2009 1 1 37 TRP CE2 C 0.996 4.669 1.803 1.00 . A A . 37 TRP CE2 1 1 3 2010 1 1 37 TRP CE3 C -0.696 5.132 0.122 1.00 . A A . 37 TRP CE3 1 1 3 2011 1 1 37 TRP CG C -0.347 6.449 2.320 1.00 . A A . 37 TRP CG 1 1 3 2012 1 1 37 TRP CH2 C 0.917 3.278 -0.126 1.00 . A A . 37 TRP CH2 1 1 3 2013 1 1 37 TRP CZ2 C 1.527 3.583 1.097 1.00 . A A . 37 TRP CZ2 1 1 3 2014 1 1 37 TRP CZ3 C -0.154 4.043 -0.571 1.00 . A A . 37 TRP CZ3 1 1 3 2015 1 1 37 TRP H H -2.830 9.560 2.047 1.00 . A A . 37 TRP H 1 1 3 2016 1 1 37 TRP HA H -0.162 9.058 1.546 1.00 . A A . 37 TRP HA 1 1 3 2017 1 1 37 TRP HB2 H -1.606 7.934 3.225 1.00 . A A . 37 TRP HB2 1 1 3 2018 1 1 37 TRP HB3 H -2.375 7.036 1.932 1.00 . A A . 37 TRP HB3 1 1 3 2019 1 1 37 TRP HD1 H 0.616 6.885 4.193 1.00 . A A . 37 TRP HD1 1 1 3 2020 1 1 37 TRP HE1 H 2.199 4.843 3.657 1.00 . A A . 37 TRP HE1 1 1 3 2021 1 1 37 TRP HE3 H -1.538 5.709 -0.260 1.00 . A A . 37 TRP HE3 1 1 3 2022 1 1 37 TRP HH2 H 1.282 2.444 -0.726 1.00 . A A . 37 TRP HH2 1 1 3 2023 1 1 37 TRP HZ2 H 2.369 3.006 1.479 1.00 . A A . 37 TRP HZ2 1 1 3 2024 1 1 37 TRP HZ3 H -0.604 3.777 -1.528 1.00 . A A . 37 TRP HZ3 1 1 3 2025 1 1 37 TRP N N -2.112 9.715 1.368 1.00 . A A . 37 TRP N 1 1 3 2026 1 1 37 TRP NE1 N 1.385 5.202 3.027 1.00 . A A . 37 TRP NE1 1 1 3 2027 1 1 37 TRP O O -2.131 8.088 -0.851 1.00 . A A . 37 TRP O 1 1 3 2028 1 1 38 VAL C C 1.648 6.759 -2.162 1.00 . A A . 38 VAL C 1 1 3 2029 1 1 38 VAL CA C 0.306 7.485 -2.045 1.00 . A A . 38 VAL CA 1 1 3 2030 1 1 38 VAL CB C 0.184 8.673 -3.002 1.00 . A A . 38 VAL CB 1 1 3 2031 1 1 38 VAL CG1 C -1.232 9.252 -2.979 1.00 . A A . 38 VAL CG1 1 1 3 2032 1 1 38 VAL CG2 C 1.222 9.749 -2.676 1.00 . A A . 38 VAL CG2 1 1 3 2033 1 1 38 VAL H H 0.959 8.017 -0.140 1.00 . A A . 38 VAL H 1 1 3 2034 1 1 38 VAL HA H -0.494 6.783 -2.276 1.00 . A A . 38 VAL HA 1 1 3 2035 1 1 38 VAL HB H 0.382 8.312 -4.011 1.00 . A A . 38 VAL HB 1 1 3 2036 1 1 38 VAL HG11 H -1.363 9.925 -3.826 1.00 . A A . 38 VAL HG11 1 1 3 2037 1 1 38 VAL HG12 H -1.957 8.441 -3.045 1.00 . A A . 38 VAL HG12 1 1 3 2038 1 1 38 VAL HG13 H -1.385 9.802 -2.051 1.00 . A A . 38 VAL HG13 1 1 3 2039 1 1 38 VAL HG21 H 2.044 9.303 -2.116 1.00 . A A . 38 VAL HG21 1 1 3 2040 1 1 38 VAL HG22 H 1.603 10.179 -3.602 1.00 . A A . 38 VAL HG22 1 1 3 2041 1 1 38 VAL HG23 H 0.757 10.532 -2.076 1.00 . A A . 38 VAL HG23 1 1 3 2042 1 1 38 VAL N N 0.118 7.930 -0.675 1.00 . A A . 38 VAL N 1 1 3 2043 1 1 38 VAL O O 2.592 7.073 -1.439 1.00 . A A . 38 VAL O 1 1 3 2044 1 1 39 CYS C C 4.099 5.972 -3.182 1.00 . A A . 39 CYS C 1 1 3 2045 1 1 39 CYS CA C 2.900 5.030 -3.299 1.00 . A A . 39 CYS CA 1 1 3 2046 1 1 39 CYS CB C 2.871 4.306 -4.646 1.00 . A A . 39 CYS CB 1 1 3 2047 1 1 39 CYS H H 0.917 5.554 -3.662 1.00 . A A . 39 CYS H 1 1 3 2048 1 1 39 CYS HA H 2.930 4.267 -2.521 1.00 . A A . 39 CYS HA 1 1 3 2049 1 1 39 CYS HB2 H 2.176 3.469 -4.579 1.00 . A A . 39 CYS HB2 1 1 3 2050 1 1 39 CYS HB3 H 2.477 4.988 -5.400 1.00 . A A . 39 CYS HB3 1 1 3 2051 1 1 39 CYS N N 1.689 5.803 -3.078 1.00 . A A . 39 CYS N 1 1 3 2052 1 1 39 CYS O O 4.369 6.754 -4.092 1.00 . A A . 39 CYS O 1 1 3 2053 1 1 39 CYS SG S 4.492 3.677 -5.214 1.00 . A A . 39 CYS SG 1 1 3 2054 1 1 40 PRO C C 7.171 6.217 -2.596 1.00 . A A . 40 PRO C 1 1 3 2055 1 1 40 PRO CA C 5.970 6.696 -1.778 1.00 . A A . 40 PRO CA 1 1 3 2056 1 1 40 PRO CB C 6.202 6.613 -0.278 1.00 . A A . 40 PRO CB 1 1 3 2057 1 1 40 PRO CD C 4.515 4.948 -0.925 1.00 . A A . 40 PRO CD 1 1 3 2058 1 1 40 PRO CG C 5.452 5.377 0.192 1.00 . A A . 40 PRO CG 1 1 3 2059 1 1 40 PRO HA H 5.795 7.635 -2.074 1.00 . A A . 40 PRO HA 1 1 3 2060 1 1 40 PRO HB2 H 7.266 6.534 -0.051 1.00 . A A . 40 PRO HB2 1 1 3 2061 1 1 40 PRO HB3 H 5.835 7.508 0.224 1.00 . A A . 40 PRO HB3 1 1 3 2062 1 1 40 PRO HD2 H 4.693 3.912 -1.215 1.00 . A A . 40 PRO HD2 1 1 3 2063 1 1 40 PRO HD3 H 3.472 5.018 -0.617 1.00 . A A . 40 PRO HD3 1 1 3 2064 1 1 40 PRO HG2 H 6.150 4.576 0.434 1.00 . A A . 40 PRO HG2 1 1 3 2065 1 1 40 PRO HG3 H 4.889 5.595 1.100 1.00 . A A . 40 PRO HG3 1 1 3 2066 1 1 40 PRO N N 4.806 5.863 -2.025 1.00 . A A . 40 PRO N 1 1 3 2067 1 1 40 PRO O O 8.290 6.163 -2.090 1.00 . A A . 40 PRO O 1 1 3 2068 1 1 41 VAL C C 7.820 6.128 -6.086 1.00 . A A . 41 VAL C 1 1 3 2069 1 1 41 VAL CA C 7.940 5.407 -4.742 1.00 . A A . 41 VAL CA 1 1 3 2070 1 1 41 VAL CB C 7.868 3.884 -4.871 1.00 . A A . 41 VAL CB 1 1 3 2071 1 1 41 VAL CG1 C 9.166 3.321 -5.452 1.00 . A A . 41 VAL CG1 1 1 3 2072 1 1 41 VAL CG2 C 7.542 3.234 -3.525 1.00 . A A . 41 VAL CG2 1 1 3 2073 1 1 41 VAL H H 5.983 5.927 -4.253 1.00 . A A . 41 VAL H 1 1 3 2074 1 1 41 VAL HA H 8.900 5.662 -4.291 1.00 . A A . 41 VAL HA 1 1 3 2075 1 1 41 VAL HB H 7.060 3.645 -5.563 1.00 . A A . 41 VAL HB 1 1 3 2076 1 1 41 VAL HG11 H 8.934 2.507 -6.139 1.00 . A A . 41 VAL HG11 1 1 3 2077 1 1 41 VAL HG12 H 9.696 4.108 -5.988 1.00 . A A . 41 VAL HG12 1 1 3 2078 1 1 41 VAL HG13 H 9.793 2.946 -4.643 1.00 . A A . 41 VAL HG13 1 1 3 2079 1 1 41 VAL HG21 H 7.497 2.152 -3.645 1.00 . A A . 41 VAL HG21 1 1 3 2080 1 1 41 VAL HG22 H 8.317 3.488 -2.802 1.00 . A A . 41 VAL HG22 1 1 3 2081 1 1 41 VAL HG23 H 6.579 3.600 -3.169 1.00 . A A . 41 VAL HG23 1 1 3 2082 1 1 41 VAL N N 6.897 5.880 -3.848 1.00 . A A . 41 VAL N 1 1 3 2083 1 1 41 VAL O O 8.788 6.714 -6.568 1.00 . A A . 41 VAL O 1 1 3 2084 1 1 42 CYS C C 5.391 7.855 -7.703 1.00 . A A . 42 CYS C 1 1 3 2085 1 1 42 CYS CA C 6.366 6.698 -7.932 1.00 . A A . 42 CYS CA 1 1 3 2086 1 1 42 CYS CB C 5.836 5.702 -8.965 1.00 . A A . 42 CYS CB 1 1 3 2087 1 1 42 CYS H H 5.843 5.580 -6.254 1.00 . A A . 42 CYS H 1 1 3 2088 1 1 42 CYS HA H 7.324 7.066 -8.298 1.00 . A A . 42 CYS HA 1 1 3 2089 1 1 42 CYS HB2 H 6.042 6.090 -9.963 1.00 . A A . 42 CYS HB2 1 1 3 2090 1 1 42 CYS HB3 H 6.390 4.768 -8.866 1.00 . A A . 42 CYS HB3 1 1 3 2091 1 1 42 CYS N N 6.625 6.060 -6.653 1.00 . A A . 42 CYS N 1 1 3 2092 1 1 42 CYS O O 5.519 8.911 -8.322 1.00 . A A . 42 CYS O 1 1 3 2093 1 1 42 CYS SG S 4.047 5.339 -8.834 1.00 . A A . 42 CYS SG 1 1 3 2094 1 1 43 GLY C C 2.034 8.123 -6.804 1.00 . A A . 43 GLY C 1 1 3 2095 1 1 43 GLY CA C 3.444 8.627 -6.493 1.00 . A A . 43 GLY CA 1 1 3 2096 1 1 43 GLY H H 4.344 6.757 -6.313 1.00 . A A . 43 GLY H 1 1 3 2097 1 1 43 GLY HA2 H 3.515 8.892 -5.439 1.00 . A A . 43 GLY HA2 1 1 3 2098 1 1 43 GLY HA3 H 3.644 9.533 -7.064 1.00 . A A . 43 GLY HA3 1 1 3 2099 1 1 43 GLY N N 4.440 7.618 -6.812 1.00 . A A . 43 GLY N 1 1 3 2100 1 1 43 GLY O O 1.092 8.910 -6.882 1.00 . A A . 43 GLY O 1 1 3 2101 1 1 44 ALA C C -0.330 6.486 -6.140 1.00 . A A . 44 ALA C 1 1 3 2102 1 1 44 ALA CA C 0.652 6.194 -7.276 1.00 . A A . 44 ALA CA 1 1 3 2103 1 1 44 ALA CB C 0.851 4.694 -7.504 1.00 . A A . 44 ALA CB 1 1 3 2104 1 1 44 ALA H H 2.703 6.179 -6.910 1.00 . A A . 44 ALA H 1 1 3 2105 1 1 44 ALA HA H 0.275 6.642 -8.195 1.00 . A A . 44 ALA HA 1 1 3 2106 1 1 44 ALA HB1 H 1.748 4.533 -8.102 1.00 . A A . 44 ALA HB1 1 1 3 2107 1 1 44 ALA HB2 H 0.960 4.192 -6.543 1.00 . A A . 44 ALA HB2 1 1 3 2108 1 1 44 ALA HB3 H -0.013 4.289 -8.030 1.00 . A A . 44 ALA HB3 1 1 3 2109 1 1 44 ALA N N 1.932 6.813 -6.975 1.00 . A A . 44 ALA N 1 1 3 2110 1 1 44 ALA O O 0.040 6.439 -4.968 1.00 . A A . 44 ALA O 1 1 3 2111 1 1 45 PRO C C -3.118 5.813 -4.872 1.00 . A A . 45 PRO C 1 1 3 2112 1 1 45 PRO CA C -2.633 7.087 -5.565 1.00 . A A . 45 PRO CA 1 1 3 2113 1 1 45 PRO CB C -3.726 7.784 -6.359 1.00 . A A . 45 PRO CB 1 1 3 2114 1 1 45 PRO CD C -2.069 6.852 -7.916 1.00 . A A . 45 PRO CD 1 1 3 2115 1 1 45 PRO CG C -3.469 7.436 -7.817 1.00 . A A . 45 PRO CG 1 1 3 2116 1 1 45 PRO HA H -2.271 7.672 -4.840 1.00 . A A . 45 PRO HA 1 1 3 2117 1 1 45 PRO HB2 H -4.713 7.445 -6.046 1.00 . A A . 45 PRO HB2 1 1 3 2118 1 1 45 PRO HB3 H -3.695 8.862 -6.204 1.00 . A A . 45 PRO HB3 1 1 3 2119 1 1 45 PRO HD2 H -2.084 5.865 -8.377 1.00 . A A . 45 PRO HD2 1 1 3 2120 1 1 45 PRO HD3 H -1.421 7.480 -8.529 1.00 . A A . 45 PRO HD3 1 1 3 2121 1 1 45 PRO HG2 H -4.208 6.719 -8.174 1.00 . A A . 45 PRO HG2 1 1 3 2122 1 1 45 PRO HG3 H -3.557 8.324 -8.442 1.00 . A A . 45 PRO HG3 1 1 3 2123 1 1 45 PRO N N -1.595 6.788 -6.537 1.00 . A A . 45 PRO N 1 1 3 2124 1 1 45 PRO O O -3.222 4.760 -5.500 1.00 . A A . 45 PRO O 1 1 3 2125 1 1 46 LYS C C -5.128 4.237 -3.455 1.00 . A A . 46 LYS C 1 1 3 2126 1 1 46 LYS CA C -3.875 4.822 -2.799 1.00 . A A . 46 LYS CA 1 1 3 2127 1 1 46 LYS CB C -4.080 5.234 -1.340 1.00 . A A . 46 LYS CB 1 1 3 2128 1 1 46 LYS CD C -6.373 4.810 -0.379 1.00 . A A . 46 LYS CD 1 1 3 2129 1 1 46 LYS CE C -6.894 5.411 0.928 1.00 . A A . 46 LYS CE 1 1 3 2130 1 1 46 LYS CG C -5.483 5.807 -1.124 1.00 . A A . 46 LYS CG 1 1 3 2131 1 1 46 LYS H H -3.316 6.809 -3.081 1.00 . A A . 46 LYS H 1 1 3 2132 1 1 46 LYS HA H -3.092 4.064 -2.812 1.00 . A A . 46 LYS HA 1 1 3 2133 1 1 46 LYS HB2 H -3.931 4.372 -0.690 1.00 . A A . 46 LYS HB2 1 1 3 2134 1 1 46 LYS HB3 H -3.333 5.977 -1.060 1.00 . A A . 46 LYS HB3 1 1 3 2135 1 1 46 LYS HD2 H -7.212 4.523 -1.012 1.00 . A A . 46 LYS HD2 1 1 3 2136 1 1 46 LYS HD3 H -5.809 3.902 -0.166 1.00 . A A . 46 LYS HD3 1 1 3 2137 1 1 46 LYS HE2 H -6.250 6.234 1.239 1.00 . A A . 46 LYS HE2 1 1 3 2138 1 1 46 LYS HE3 H -7.890 5.826 0.772 1.00 . A A . 46 LYS HE3 1 1 3 2139 1 1 46 LYS HG2 H -5.417 6.735 -0.557 1.00 . A A . 46 LYS HG2 1 1 3 2140 1 1 46 LYS HG3 H -5.931 6.052 -2.086 1.00 . A A . 46 LYS HG3 1 1 3 2141 1 1 46 LYS HZ1 H -6.040 4.257 2.439 1.00 . A A . 46 LYS HZ1 1 1 3 2142 1 1 46 LYS HZ3 H -7.216 3.474 1.628 1.00 . A A . 46 LYS HZ3 1 1 3 2143 1 1 46 LYS N N -3.403 5.949 -3.585 1.00 . A A . 46 LYS N 1 1 3 2144 1 1 46 LYS NZ N -6.941 4.381 1.990 1.00 . A A . 46 LYS NZ 1 1 3 2145 1 1 46 LYS O O -5.524 3.113 -3.152 1.00 . A A . 46 LYS O 1 1 3 2146 1 1 47 SER C C -6.547 3.645 -6.177 1.00 . A A . 47 SER C 1 1 3 2147 1 1 47 SER CA C -6.916 4.602 -5.042 1.00 . A A . 47 SER CA 1 1 3 2148 1 1 47 SER CB C -7.689 5.803 -5.590 1.00 . A A . 47 SER CB 1 1 3 2149 1 1 47 SER H H -5.387 5.940 -4.581 1.00 . A A . 47 SER H 1 1 3 2150 1 1 47 SER HA H -7.522 4.092 -4.293 1.00 . A A . 47 SER HA 1 1 3 2151 1 1 47 SER HB2 H -7.249 6.724 -5.204 1.00 . A A . 47 SER HB2 1 1 3 2152 1 1 47 SER HB3 H -7.590 5.834 -6.675 1.00 . A A . 47 SER HB3 1 1 3 2153 1 1 47 SER HG H -9.200 5.162 -4.446 1.00 . A A . 47 SER HG 1 1 3 2154 1 1 47 SER N N -5.716 5.027 -4.341 1.00 . A A . 47 SER N 1 1 3 2155 1 1 47 SER O O -7.382 2.865 -6.633 1.00 . A A . 47 SER O 1 1 3 2156 1 1 47 SER OG O -9.069 5.754 -5.241 1.00 . A A . 47 SER OG 1 1 3 2157 1 1 48 GLU C C -4.074 1.674 -7.102 1.00 . A A . 48 GLU C 1 1 3 2158 1 1 48 GLU CA C -4.806 2.889 -7.676 1.00 . A A . 48 GLU CA 1 1 3 2159 1 1 48 GLU CB C -3.900 3.675 -8.626 1.00 . A A . 48 GLU CB 1 1 3 2160 1 1 48 GLU CD C -3.801 5.503 -10.361 1.00 . A A . 48 GLU CD 1 1 3 2161 1 1 48 GLU CG C -4.714 4.656 -9.473 1.00 . A A . 48 GLU CG 1 1 3 2162 1 1 48 GLU H H -4.622 4.374 -6.227 1.00 . A A . 48 GLU H 1 1 3 2163 1 1 48 GLU HA H -5.695 2.564 -8.217 1.00 . A A . 48 GLU HA 1 1 3 2164 1 1 48 GLU HB2 H -3.151 4.220 -8.052 1.00 . A A . 48 GLU HB2 1 1 3 2165 1 1 48 GLU HB3 H -3.364 2.986 -9.278 1.00 . A A . 48 GLU HB3 1 1 3 2166 1 1 48 GLU HE2 H -4.155 6.364 -11.998 1.00 . A A . 48 GLU HE2 1 1 3 2167 1 1 48 GLU HG2 H -5.423 4.107 -10.092 1.00 . A A . 48 GLU HG2 1 1 3 2168 1 1 48 GLU HG3 H -5.298 5.307 -8.821 1.00 . A A . 48 GLU HG3 1 1 3 2169 1 1 48 GLU N N -5.295 3.737 -6.602 1.00 . A A . 48 GLU N 1 1 3 2170 1 1 48 GLU O O -3.239 1.072 -7.775 1.00 . A A . 48 GLU O 1 1 3 2171 1 1 48 GLU OE1 O -2.583 5.270 -10.399 1.00 . A A . 48 GLU OE1 1 1 3 2172 1 1 48 GLU OE2 O -4.398 6.430 -11.030 1.00 . A A . 48 GLU OE2 1 1 3 2173 1 1 49 PHE C C -4.762 -0.969 -5.125 1.00 . A A . 49 PHE C 1 1 3 2174 1 1 49 PHE CA C -3.800 0.218 -5.190 1.00 . A A . 49 PHE CA 1 1 3 2175 1 1 49 PHE CB C -3.468 0.670 -3.766 1.00 . A A . 49 PHE CB 1 1 3 2176 1 1 49 PHE CD1 C -1.569 2.247 -4.183 1.00 . A A . 49 PHE CD1 1 1 3 2177 1 1 49 PHE CD2 C -1.175 0.380 -2.802 1.00 . A A . 49 PHE CD2 1 1 3 2178 1 1 49 PHE CE1 C -0.222 2.661 -4.007 1.00 . A A . 49 PHE CE1 1 1 3 2179 1 1 49 PHE CE2 C 0.171 0.793 -2.626 1.00 . A A . 49 PHE CE2 1 1 3 2180 1 1 49 PHE CG C -2.017 1.115 -3.577 1.00 . A A . 49 PHE CG 1 1 3 2181 1 1 49 PHE CZ C 0.620 1.925 -3.232 1.00 . A A . 49 PHE CZ 1 1 3 2182 1 1 49 PHE H H -5.094 1.845 -5.322 1.00 . A A . 49 PHE H 1 1 3 2183 1 1 49 PHE HA H -2.919 -0.062 -5.767 1.00 . A A . 49 PHE HA 1 1 3 2184 1 1 49 PHE HB2 H -4.129 1.493 -3.494 1.00 . A A . 49 PHE HB2 1 1 3 2185 1 1 49 PHE HB3 H -3.679 -0.149 -3.078 1.00 . A A . 49 PHE HB3 1 1 3 2186 1 1 49 PHE HD1 H -2.243 2.837 -4.803 1.00 . A A . 49 PHE HD1 1 1 3 2187 1 1 49 PHE HD2 H -1.535 -0.528 -2.316 1.00 . A A . 49 PHE HD2 1 1 3 2188 1 1 49 PHE HE1 H 0.138 3.568 -4.492 1.00 . A A . 49 PHE HE1 1 1 3 2189 1 1 49 PHE HE2 H 0.846 0.204 -2.005 1.00 . A A . 49 PHE HE2 1 1 3 2190 1 1 49 PHE HZ H 1.654 2.243 -3.097 1.00 . A A . 49 PHE HZ 1 1 3 2191 1 1 49 PHE N N -4.414 1.350 -5.863 1.00 . A A . 49 PHE N 1 1 3 2192 1 1 49 PHE O O -5.934 -0.805 -4.788 1.00 . A A . 49 PHE O 1 1 3 2193 1 1 50 GLU C C -4.375 -4.406 -4.539 1.00 . A A . 50 GLU C 1 1 3 2194 1 1 50 GLU CA C -5.030 -3.353 -5.435 1.00 . A A . 50 GLU CA 1 1 3 2195 1 1 50 GLU CB C -5.239 -3.892 -6.852 1.00 . A A . 50 GLU CB 1 1 3 2196 1 1 50 GLU CD C -6.640 -5.596 -8.075 1.00 . A A . 50 GLU CD 1 1 3 2197 1 1 50 GLU CG C -5.812 -5.310 -6.820 1.00 . A A . 50 GLU CG 1 1 3 2198 1 1 50 GLU H H -3.279 -2.264 -5.725 1.00 . A A . 50 GLU H 1 1 3 2199 1 1 50 GLU HA H -5.994 -3.061 -5.018 1.00 . A A . 50 GLU HA 1 1 3 2200 1 1 50 GLU HB2 H -5.916 -3.235 -7.398 1.00 . A A . 50 GLU HB2 1 1 3 2201 1 1 50 GLU HB3 H -4.291 -3.891 -7.389 1.00 . A A . 50 GLU HB3 1 1 3 2202 1 1 50 GLU HE2 H -7.961 -4.487 -7.318 1.00 . A A . 50 GLU HE2 1 1 3 2203 1 1 50 GLU HG2 H -5.000 -6.033 -6.743 1.00 . A A . 50 GLU HG2 1 1 3 2204 1 1 50 GLU HG3 H -6.434 -5.435 -5.934 1.00 . A A . 50 GLU HG3 1 1 3 2205 1 1 50 GLU N N -4.232 -2.139 -5.452 1.00 . A A . 50 GLU N 1 1 3 2206 1 1 50 GLU O O -3.150 -4.475 -4.450 1.00 . A A . 50 GLU O 1 1 3 2207 1 1 50 GLU OE1 O -6.123 -6.182 -9.037 1.00 . A A . 50 GLU OE1 1 1 3 2208 1 1 50 GLU OE2 O -7.862 -5.185 -8.027 1.00 . A A . 50 GLU OE2 1 1 3 2209 1 1 51 ALA C C -4.326 -7.462 -3.843 1.00 . A A . 51 ALA C 1 1 3 2210 1 1 51 ALA CA C -4.738 -6.246 -3.012 1.00 . A A . 51 ALA CA 1 1 3 2211 1 1 51 ALA CB C -5.820 -6.582 -1.983 1.00 . A A . 51 ALA CB 1 1 3 2212 1 1 51 ALA H H -6.215 -5.137 -3.975 1.00 . A A . 51 ALA H 1 1 3 2213 1 1 51 ALA HA H -3.863 -5.861 -2.488 1.00 . A A . 51 ALA HA 1 1 3 2214 1 1 51 ALA HB1 H -6.613 -7.155 -2.463 1.00 . A A . 51 ALA HB1 1 1 3 2215 1 1 51 ALA HB2 H -5.383 -7.171 -1.176 1.00 . A A . 51 ALA HB2 1 1 3 2216 1 1 51 ALA HB3 H -6.233 -5.659 -1.576 1.00 . A A . 51 ALA HB3 1 1 3 2217 1 1 51 ALA N N -5.220 -5.200 -3.898 1.00 . A A . 51 ALA N 1 1 3 2218 1 1 51 ALA O O -5.153 -8.055 -4.534 1.00 . A A . 51 ALA O 1 1 3 2219 1 1 52 ALA C C -2.987 -10.230 -3.821 1.00 . A A . 52 ALA C 1 1 3 2220 1 1 52 ALA CA C -2.517 -8.934 -4.483 1.00 . A A . 52 ALA CA 1 1 3 2221 1 1 52 ALA CB C -0.991 -8.832 -4.547 1.00 . A A . 52 ALA CB 1 1 3 2222 1 1 52 ALA H H -2.382 -7.311 -3.184 1.00 . A A . 52 ALA H 1 1 3 2223 1 1 52 ALA HA H -2.914 -8.889 -5.497 1.00 . A A . 52 ALA HA 1 1 3 2224 1 1 52 ALA HB1 H -0.559 -9.282 -3.653 1.00 . A A . 52 ALA HB1 1 1 3 2225 1 1 52 ALA HB2 H -0.629 -9.357 -5.430 1.00 . A A . 52 ALA HB2 1 1 3 2226 1 1 52 ALA HB3 H -0.699 -7.783 -4.603 1.00 . A A . 52 ALA HB3 1 1 3 2227 1 1 52 ALA N N -3.048 -7.798 -3.749 1.00 . A A . 52 ALA N 1 1 3 2228 1 1 52 ALA O O -4.163 -10.370 -3.488 1.00 . A A . 52 ALA O 1 1 3 2229 2 2 1 NI NI NI 4.096 3.302 -7.549 1.00 . B A . 53 NI NI 1 1 4 2230 1 1 1 MET C C -1.990 -11.633 3.725 1.00 . A A . 1 MET C 1 1 4 2231 1 1 1 MET CA C -1.966 -13.159 3.618 1.00 . A A . 1 MET CA 1 1 4 2232 1 1 1 MET CB C -1.117 -13.574 2.415 1.00 . A A . 1 MET CB 1 1 4 2233 1 1 1 MET CE C 1.556 -16.254 3.826 1.00 . A A . 1 MET CE 1 1 4 2234 1 1 1 MET CG C -0.535 -14.976 2.613 1.00 . A A . 1 MET CG 1 1 4 2235 1 1 1 MET H1 H -3.932 -13.123 2.930 1.00 . A A . 1 MET H1 1 1 4 2236 1 1 1 MET HA H -1.582 -13.590 4.543 1.00 . A A . 1 MET HA 1 1 4 2237 1 1 1 MET HB2 H -1.725 -13.554 1.511 1.00 . A A . 1 MET HB2 1 1 4 2238 1 1 1 MET HB3 H -0.308 -12.858 2.272 1.00 . A A . 1 MET HB3 1 1 4 2239 1 1 1 MET HE1 H 2.289 -15.955 4.576 1.00 . A A . 1 MET HE1 1 1 4 2240 1 1 1 MET HE2 H 0.628 -16.541 4.319 1.00 . A A . 1 MET HE2 1 1 4 2241 1 1 1 MET HE3 H 1.943 -17.101 3.258 1.00 . A A . 1 MET HE3 1 1 4 2242 1 1 1 MET HG2 H -0.940 -15.423 3.520 1.00 . A A . 1 MET HG2 1 1 4 2243 1 1 1 MET HG3 H -0.826 -15.620 1.783 1.00 . A A . 1 MET HG3 1 1 4 2244 1 1 1 MET N N -3.310 -13.691 3.469 1.00 . A A . 1 MET N 1 1 4 2245 1 1 1 MET O O -1.316 -11.057 4.577 1.00 . A A . 1 MET O 1 1 4 2246 1 1 1 MET SD S 1.245 -14.888 2.720 1.00 . A A . 1 MET SD 1 1 4 2247 1 1 2 LYS C C -1.788 -8.985 1.954 1.00 . A A . 2 LYS C 1 1 4 2248 1 1 2 LYS CA C -2.892 -9.575 2.833 1.00 . A A . 2 LYS CA 1 1 4 2249 1 1 2 LYS CB C -2.903 -9.023 4.260 1.00 . A A . 2 LYS CB 1 1 4 2250 1 1 2 LYS CD C -5.256 -8.144 4.483 1.00 . A A . 2 LYS CD 1 1 4 2251 1 1 2 LYS CE C -6.043 -7.694 3.251 1.00 . A A . 2 LYS CE 1 1 4 2252 1 1 2 LYS CG C -3.778 -7.771 4.357 1.00 . A A . 2 LYS CG 1 1 4 2253 1 1 2 LYS H H -3.318 -11.499 2.158 1.00 . A A . 2 LYS H 1 1 4 2254 1 1 2 LYS HA H -3.856 -9.331 2.386 1.00 . A A . 2 LYS HA 1 1 4 2255 1 1 2 LYS HB2 H -3.274 -9.784 4.945 1.00 . A A . 2 LYS HB2 1 1 4 2256 1 1 2 LYS HB3 H -1.886 -8.785 4.569 1.00 . A A . 2 LYS HB3 1 1 4 2257 1 1 2 LYS HD2 H -5.354 -9.223 4.607 1.00 . A A . 2 LYS HD2 1 1 4 2258 1 1 2 LYS HD3 H -5.677 -7.681 5.376 1.00 . A A . 2 LYS HD3 1 1 4 2259 1 1 2 LYS HE2 H -6.684 -6.851 3.509 1.00 . A A . 2 LYS HE2 1 1 4 2260 1 1 2 LYS HE3 H -5.355 -7.346 2.480 1.00 . A A . 2 LYS HE3 1 1 4 2261 1 1 2 LYS HG2 H -3.474 -7.177 5.219 1.00 . A A . 2 LYS HG2 1 1 4 2262 1 1 2 LYS HG3 H -3.630 -7.150 3.474 1.00 . A A . 2 LYS HG3 1 1 4 2263 1 1 2 LYS HZ1 H -6.935 -8.781 1.713 1.00 . A A . 2 LYS HZ1 1 1 4 2264 1 1 2 LYS HZ3 H -7.810 -8.786 3.087 1.00 . A A . 2 LYS HZ3 1 1 4 2265 1 1 2 LYS N N -2.773 -11.023 2.848 1.00 . A A . 2 LYS N 1 1 4 2266 1 1 2 LYS NZ N -6.863 -8.807 2.724 1.00 . A A . 2 LYS NZ 1 1 4 2267 1 1 2 LYS O O -1.357 -9.612 0.988 1.00 . A A . 2 LYS O 1 1 4 2268 1 1 3 LYS C C -0.805 -6.823 0.156 1.00 . A A . 3 LYS C 1 1 4 2269 1 1 3 LYS CA C -0.314 -7.104 1.577 1.00 . A A . 3 LYS CA 1 1 4 2270 1 1 3 LYS CB C 0.989 -7.903 1.632 1.00 . A A . 3 LYS CB 1 1 4 2271 1 1 3 LYS CD C 1.385 -8.177 4.107 1.00 . A A . 3 LYS CD 1 1 4 2272 1 1 3 LYS CE C 2.132 -9.497 4.309 1.00 . A A . 3 LYS CE 1 1 4 2273 1 1 3 LYS CG C 1.844 -7.477 2.827 1.00 . A A . 3 LYS CG 1 1 4 2274 1 1 3 LYS H H -1.716 -7.282 3.108 1.00 . A A . 3 LYS H 1 1 4 2275 1 1 3 LYS HA H -0.129 -6.151 2.073 1.00 . A A . 3 LYS HA 1 1 4 2276 1 1 3 LYS HB2 H 0.765 -8.968 1.702 1.00 . A A . 3 LYS HB2 1 1 4 2277 1 1 3 LYS HB3 H 1.549 -7.756 0.708 1.00 . A A . 3 LYS HB3 1 1 4 2278 1 1 3 LYS HD2 H 1.555 -7.524 4.964 1.00 . A A . 3 LYS HD2 1 1 4 2279 1 1 3 LYS HD3 H 0.313 -8.366 4.058 1.00 . A A . 3 LYS HD3 1 1 4 2280 1 1 3 LYS HE2 H 1.686 -10.273 3.687 1.00 . A A . 3 LYS HE2 1 1 4 2281 1 1 3 LYS HE3 H 3.168 -9.387 3.989 1.00 . A A . 3 LYS HE3 1 1 4 2282 1 1 3 LYS HG2 H 2.890 -7.715 2.633 1.00 . A A . 3 LYS HG2 1 1 4 2283 1 1 3 LYS HG3 H 1.782 -6.397 2.956 1.00 . A A . 3 LYS HG3 1 1 4 2284 1 1 3 LYS HZ1 H 3.011 -10.105 6.099 1.00 . A A . 3 LYS HZ1 1 1 4 2285 1 1 3 LYS HZ3 H 1.530 -10.742 5.868 1.00 . A A . 3 LYS HZ3 1 1 4 2286 1 1 3 LYS N N -1.361 -7.785 2.320 1.00 . A A . 3 LYS N 1 1 4 2287 1 1 3 LYS NZ N 2.087 -9.906 5.731 1.00 . A A . 3 LYS NZ 1 1 4 2288 1 1 3 LYS O O -1.096 -7.750 -0.599 1.00 . A A . 3 LYS O 1 1 4 2289 1 1 4 TYR C C -0.151 -4.687 -2.355 1.00 . A A . 4 TYR C 1 1 4 2290 1 1 4 TYR CA C -1.331 -5.126 -1.485 1.00 . A A . 4 TYR CA 1 1 4 2291 1 1 4 TYR CB C -2.255 -3.928 -1.258 1.00 . A A . 4 TYR CB 1 1 4 2292 1 1 4 TYR CD1 C -2.250 -3.270 1.176 1.00 . A A . 4 TYR CD1 1 1 4 2293 1 1 4 TYR CD2 C -4.128 -4.485 0.334 1.00 . A A . 4 TYR CD2 1 1 4 2294 1 1 4 TYR CE1 C -2.856 -3.237 2.482 1.00 . A A . 4 TYR CE1 1 1 4 2295 1 1 4 TYR CE2 C -4.734 -4.452 1.640 1.00 . A A . 4 TYR CE2 1 1 4 2296 1 1 4 TYR CG C -2.899 -3.893 0.129 1.00 . A A . 4 TYR CG 1 1 4 2297 1 1 4 TYR CZ C -4.068 -3.829 2.649 1.00 . A A . 4 TYR CZ 1 1 4 2298 1 1 4 TYR H H -0.642 -4.793 0.452 1.00 . A A . 4 TYR H 1 1 4 2299 1 1 4 TYR HA H -1.823 -5.977 -1.956 1.00 . A A . 4 TYR HA 1 1 4 2300 1 1 4 TYR HB2 H -1.686 -3.010 -1.407 1.00 . A A . 4 TYR HB2 1 1 4 2301 1 1 4 TYR HB3 H -3.042 -3.941 -2.012 1.00 . A A . 4 TYR HB3 1 1 4 2302 1 1 4 TYR HD1 H -1.278 -2.802 1.014 1.00 . A A . 4 TYR HD1 1 1 4 2303 1 1 4 TYR HD2 H -4.641 -4.977 -0.492 1.00 . A A . 4 TYR HD2 1 1 4 2304 1 1 4 TYR HE1 H -2.354 -2.748 3.317 1.00 . A A . 4 TYR HE1 1 1 4 2305 1 1 4 TYR HE2 H -5.705 -4.916 1.816 1.00 . A A . 4 TYR HE2 1 1 4 2306 1 1 4 TYR HH H -5.628 -3.662 3.798 1.00 . A A . 4 TYR HH 1 1 4 2307 1 1 4 TYR N N -0.881 -5.541 -0.167 1.00 . A A . 4 TYR N 1 1 4 2308 1 1 4 TYR O O 1.005 -4.846 -1.965 1.00 . A A . 4 TYR O 1 1 4 2309 1 1 4 TYR OH O -4.641 -3.798 3.883 1.00 . A A . 4 TYR OH 1 1 4 2310 1 1 5 VAL C C -0.006 -2.488 -5.235 1.00 . A A . 5 VAL C 1 1 4 2311 1 1 5 VAL CA C 0.535 -3.681 -4.444 1.00 . A A . 5 VAL CA 1 1 4 2312 1 1 5 VAL CB C 0.991 -4.835 -5.340 1.00 . A A . 5 VAL CB 1 1 4 2313 1 1 5 VAL CG1 C 0.015 -5.048 -6.499 1.00 . A A . 5 VAL CG1 1 1 4 2314 1 1 5 VAL CG2 C 2.412 -4.601 -5.855 1.00 . A A . 5 VAL CG2 1 1 4 2315 1 1 5 VAL H H -1.425 -4.018 -3.826 1.00 . A A . 5 VAL H 1 1 4 2316 1 1 5 VAL HA H 1.391 -3.352 -3.856 1.00 . A A . 5 VAL HA 1 1 4 2317 1 1 5 VAL HB H 0.998 -5.743 -4.738 1.00 . A A . 5 VAL HB 1 1 4 2318 1 1 5 VAL HG11 H -0.172 -4.095 -6.996 1.00 . A A . 5 VAL HG11 1 1 4 2319 1 1 5 VAL HG12 H 0.445 -5.751 -7.212 1.00 . A A . 5 VAL HG12 1 1 4 2320 1 1 5 VAL HG13 H -0.924 -5.447 -6.115 1.00 . A A . 5 VAL HG13 1 1 4 2321 1 1 5 VAL HG21 H 2.377 -4.348 -6.915 1.00 . A A . 5 VAL HG21 1 1 4 2322 1 1 5 VAL HG22 H 2.869 -3.781 -5.301 1.00 . A A . 5 VAL HG22 1 1 4 2323 1 1 5 VAL HG23 H 3.002 -5.506 -5.717 1.00 . A A . 5 VAL HG23 1 1 4 2324 1 1 5 VAL N N -0.483 -4.144 -3.517 1.00 . A A . 5 VAL N 1 1 4 2325 1 1 5 VAL O O -1.218 -2.328 -5.372 1.00 . A A . 5 VAL O 1 1 4 2326 1 1 6 CYS C C 0.311 -0.943 -7.956 1.00 . A A . 6 CYS C 1 1 4 2327 1 1 6 CYS CA C 0.549 -0.508 -6.509 1.00 . A A . 6 CYS CA 1 1 4 2328 1 1 6 CYS CB C 1.609 0.591 -6.410 1.00 . A A . 6 CYS CB 1 1 4 2329 1 1 6 CYS H H 1.902 -1.819 -5.619 1.00 . A A . 6 CYS H 1 1 4 2330 1 1 6 CYS HA H -0.367 -0.117 -6.066 1.00 . A A . 6 CYS HA 1 1 4 2331 1 1 6 CYS HB2 H 1.492 1.104 -5.455 1.00 . A A . 6 CYS HB2 1 1 4 2332 1 1 6 CYS HB3 H 2.595 0.126 -6.404 1.00 . A A . 6 CYS HB3 1 1 4 2333 1 1 6 CYS N N 0.918 -1.682 -5.735 1.00 . A A . 6 CYS N 1 1 4 2334 1 1 6 CYS O O 1.036 -1.786 -8.482 1.00 . A A . 6 CYS O 1 1 4 2335 1 1 6 CYS SG S 1.554 1.832 -7.753 1.00 . A A . 6 CYS SG 1 1 4 2336 1 1 7 THR C C -0.386 0.329 -10.891 1.00 . A A . 7 THR C 1 1 4 2337 1 1 7 THR CA C -1.052 -0.663 -9.935 1.00 . A A . 7 THR CA 1 1 4 2338 1 1 7 THR CB C -2.577 -0.686 -10.048 1.00 . A A . 7 THR CB 1 1 4 2339 1 1 7 THR CG2 C -3.230 -1.577 -8.989 1.00 . A A . 7 THR CG2 1 1 4 2340 1 1 7 THR H H -1.293 0.337 -8.123 1.00 . A A . 7 THR H 1 1 4 2341 1 1 7 THR HA H -0.654 -1.650 -10.171 1.00 . A A . 7 THR HA 1 1 4 2342 1 1 7 THR HB H -2.888 -0.981 -11.051 1.00 . A A . 7 THR HB 1 1 4 2343 1 1 7 THR HG1 H -3.954 0.656 -9.493 1.00 . A A . 7 THR HG1 1 1 4 2344 1 1 7 THR HG21 H -3.571 -0.961 -8.157 1.00 . A A . 7 THR HG21 1 1 4 2345 1 1 7 THR HG22 H -4.080 -2.099 -9.428 1.00 . A A . 7 THR HG22 1 1 4 2346 1 1 7 THR HG23 H -2.503 -2.304 -8.628 1.00 . A A . 7 THR HG23 1 1 4 2347 1 1 7 THR N N -0.708 -0.348 -8.559 1.00 . A A . 7 THR N 1 1 4 2348 1 1 7 THR O O -1.000 0.767 -11.863 1.00 . A A . 7 THR O 1 1 4 2349 1 1 7 THR OG1 O -2.973 0.633 -9.684 1.00 . A A . 7 THR OG1 1 1 4 2350 1 1 8 VAL C C 3.088 1.172 -11.413 1.00 . A A . 8 VAL C 1 1 4 2351 1 1 8 VAL CA C 1.616 1.587 -11.401 1.00 . A A . 8 VAL CA 1 1 4 2352 1 1 8 VAL CB C 1.402 3.017 -10.899 1.00 . A A . 8 VAL CB 1 1 4 2353 1 1 8 VAL CG1 C 1.689 4.035 -12.005 1.00 . A A . 8 VAL CG1 1 1 4 2354 1 1 8 VAL CG2 C -0.012 3.197 -10.343 1.00 . A A . 8 VAL CG2 1 1 4 2355 1 1 8 VAL H H 1.352 0.294 -9.789 1.00 . A A . 8 VAL H 1 1 4 2356 1 1 8 VAL HA H 1.225 1.524 -12.416 1.00 . A A . 8 VAL HA 1 1 4 2357 1 1 8 VAL HB H 2.106 3.196 -10.087 1.00 . A A . 8 VAL HB 1 1 4 2358 1 1 8 VAL HG11 H 2.413 4.766 -11.646 1.00 . A A . 8 VAL HG11 1 1 4 2359 1 1 8 VAL HG12 H 2.094 3.520 -12.876 1.00 . A A . 8 VAL HG12 1 1 4 2360 1 1 8 VAL HG13 H 0.765 4.543 -12.280 1.00 . A A . 8 VAL HG13 1 1 4 2361 1 1 8 VAL HG21 H -0.104 4.187 -9.897 1.00 . A A . 8 VAL HG21 1 1 4 2362 1 1 8 VAL HG22 H -0.737 3.093 -11.151 1.00 . A A . 8 VAL HG22 1 1 4 2363 1 1 8 VAL HG23 H -0.203 2.438 -9.584 1.00 . A A . 8 VAL HG23 1 1 4 2364 1 1 8 VAL N N 0.860 0.655 -10.581 1.00 . A A . 8 VAL N 1 1 4 2365 1 1 8 VAL O O 3.733 1.187 -12.460 1.00 . A A . 8 VAL O 1 1 4 2366 1 1 9 CYS C C 4.986 -0.956 -9.375 1.00 . A A . 9 CYS C 1 1 4 2367 1 1 9 CYS CA C 4.962 0.392 -10.097 1.00 . A A . 9 CYS CA 1 1 4 2368 1 1 9 CYS CB C 5.801 1.444 -9.370 1.00 . A A . 9 CYS CB 1 1 4 2369 1 1 9 CYS H H 3.046 0.801 -9.388 1.00 . A A . 9 CYS H 1 1 4 2370 1 1 9 CYS HA H 5.363 0.298 -11.106 1.00 . A A . 9 CYS HA 1 1 4 2371 1 1 9 CYS HB2 H 6.855 1.252 -9.572 1.00 . A A . 9 CYS HB2 1 1 4 2372 1 1 9 CYS HB3 H 5.570 2.425 -9.787 1.00 . A A . 9 CYS HB3 1 1 4 2373 1 1 9 CYS N N 3.577 0.811 -10.235 1.00 . A A . 9 CYS N 1 1 4 2374 1 1 9 CYS O O 5.625 -1.901 -9.836 1.00 . A A . 9 CYS O 1 1 4 2375 1 1 9 CYS SG S 5.553 1.505 -7.558 1.00 . A A . 9 CYS SG 1 1 4 2376 1 1 10 GLY C C 4.371 -1.916 -5.972 1.00 . A A . 10 GLY C 1 1 4 2377 1 1 10 GLY CA C 4.215 -2.221 -7.463 1.00 . A A . 10 GLY CA 1 1 4 2378 1 1 10 GLY H H 3.765 -0.231 -7.885 1.00 . A A . 10 GLY H 1 1 4 2379 1 1 10 GLY HA2 H 3.261 -2.720 -7.637 1.00 . A A . 10 GLY HA2 1 1 4 2380 1 1 10 GLY HA3 H 4.998 -2.909 -7.781 1.00 . A A . 10 GLY HA3 1 1 4 2381 1 1 10 GLY N N 4.282 -1.004 -8.253 1.00 . A A . 10 GLY N 1 1 4 2382 1 1 10 GLY O O 3.393 -1.612 -5.290 1.00 . A A . 10 GLY O 1 1 4 2383 1 1 11 TYR C C 4.766 -2.220 -3.209 1.00 . A A . 11 TYR C 1 1 4 2384 1 1 11 TYR CA C 5.907 -1.744 -4.111 1.00 . A A . 11 TYR CA 1 1 4 2385 1 1 11 TYR CB C 6.040 -0.225 -3.986 1.00 . A A . 11 TYR CB 1 1 4 2386 1 1 11 TYR CD1 C 7.197 0.177 -1.783 1.00 . A A . 11 TYR CD1 1 1 4 2387 1 1 11 TYR CD2 C 4.913 0.846 -2.002 1.00 . A A . 11 TYR CD2 1 1 4 2388 1 1 11 TYR CE1 C 7.206 0.655 -0.424 1.00 . A A . 11 TYR CE1 1 1 4 2389 1 1 11 TYR CE2 C 4.922 1.324 -0.644 1.00 . A A . 11 TYR CE2 1 1 4 2390 1 1 11 TYR CG C 6.050 0.282 -2.543 1.00 . A A . 11 TYR CG 1 1 4 2391 1 1 11 TYR CZ C 6.068 1.204 0.078 1.00 . A A . 11 TYR CZ 1 1 4 2392 1 1 11 TYR H H 6.399 -2.255 -6.070 1.00 . A A . 11 TYR H 1 1 4 2393 1 1 11 TYR HA H 6.815 -2.288 -3.852 1.00 . A A . 11 TYR HA 1 1 4 2394 1 1 11 TYR HB2 H 6.961 0.090 -4.478 1.00 . A A . 11 TYR HB2 1 1 4 2395 1 1 11 TYR HB3 H 5.216 0.247 -4.521 1.00 . A A . 11 TYR HB3 1 1 4 2396 1 1 11 TYR HD1 H 8.096 -0.268 -2.210 1.00 . A A . 11 TYR HD1 1 1 4 2397 1 1 11 TYR HD2 H 4.007 0.929 -2.603 1.00 . A A . 11 TYR HD2 1 1 4 2398 1 1 11 TYR HE1 H 8.105 0.578 0.188 1.00 . A A . 11 TYR HE1 1 1 4 2399 1 1 11 TYR HE2 H 4.030 1.770 -0.204 1.00 . A A . 11 TYR HE2 1 1 4 2400 1 1 11 TYR HH H 6.655 2.468 1.434 1.00 . A A . 11 TYR HH 1 1 4 2401 1 1 11 TYR N N 5.610 -2.007 -5.509 1.00 . A A . 11 TYR N 1 1 4 2402 1 1 11 TYR O O 3.820 -1.476 -2.955 1.00 . A A . 11 TYR O 1 1 4 2403 1 1 11 TYR OH O 6.077 1.656 1.361 1.00 . A A . 11 TYR OH 1 1 4 2404 1 1 12 GLU C C 3.907 -3.358 -0.511 1.00 . A A . 12 GLU C 1 1 4 2405 1 1 12 GLU CA C 3.886 -4.039 -1.881 1.00 . A A . 12 GLU CA 1 1 4 2406 1 1 12 GLU CB C 4.086 -5.550 -1.745 1.00 . A A . 12 GLU CB 1 1 4 2407 1 1 12 GLU CD C 4.064 -7.129 -3.711 1.00 . A A . 12 GLU CD 1 1 4 2408 1 1 12 GLU CG C 3.209 -6.311 -2.742 1.00 . A A . 12 GLU CG 1 1 4 2409 1 1 12 GLU H H 5.667 -4.054 -2.960 1.00 . A A . 12 GLU H 1 1 4 2410 1 1 12 GLU HA H 2.933 -3.848 -2.374 1.00 . A A . 12 GLU HA 1 1 4 2411 1 1 12 GLU HB2 H 5.134 -5.798 -1.914 1.00 . A A . 12 GLU HB2 1 1 4 2412 1 1 12 GLU HB3 H 3.844 -5.863 -0.729 1.00 . A A . 12 GLU HB3 1 1 4 2413 1 1 12 GLU HE2 H 2.530 -7.787 -4.583 1.00 . A A . 12 GLU HE2 1 1 4 2414 1 1 12 GLU HG2 H 2.530 -6.972 -2.203 1.00 . A A . 12 GLU HG2 1 1 4 2415 1 1 12 GLU HG3 H 2.593 -5.607 -3.300 1.00 . A A . 12 GLU HG3 1 1 4 2416 1 1 12 GLU N N 4.894 -3.456 -2.749 1.00 . A A . 12 GLU N 1 1 4 2417 1 1 12 GLU O O 4.960 -3.246 0.115 1.00 . A A . 12 GLU O 1 1 4 2418 1 1 12 GLU OE1 O 5.242 -7.394 -3.427 1.00 . A A . 12 GLU OE1 1 1 4 2419 1 1 12 GLU OE2 O 3.464 -7.495 -4.792 1.00 . A A . 12 GLU OE2 1 1 4 2420 1 1 13 TYR C C 2.399 -3.269 2.327 1.00 . A A . 13 TYR C 1 1 4 2421 1 1 13 TYR CA C 2.601 -2.254 1.200 1.00 . A A . 13 TYR CA 1 1 4 2422 1 1 13 TYR CB C 1.355 -1.373 1.093 1.00 . A A . 13 TYR CB 1 1 4 2423 1 1 13 TYR CD1 C 1.377 0.400 2.886 1.00 . A A . 13 TYR CD1 1 1 4 2424 1 1 13 TYR CD2 C -0.049 -1.495 3.184 1.00 . A A . 13 TYR CD2 1 1 4 2425 1 1 13 TYR CE1 C 0.929 0.935 4.146 1.00 . A A . 13 TYR CE1 1 1 4 2426 1 1 13 TYR CE2 C -0.497 -0.960 4.444 1.00 . A A . 13 TYR CE2 1 1 4 2427 1 1 13 TYR CG C 0.879 -0.804 2.432 1.00 . A A . 13 TYR CG 1 1 4 2428 1 1 13 TYR CZ C 0.014 0.229 4.862 1.00 . A A . 13 TYR CZ 1 1 4 2429 1 1 13 TYR H H 1.879 -3.016 -0.599 1.00 . A A . 13 TYR H 1 1 4 2430 1 1 13 TYR HA H 3.519 -1.696 1.384 1.00 . A A . 13 TYR HA 1 1 4 2431 1 1 13 TYR HB2 H 1.563 -0.547 0.413 1.00 . A A . 13 TYR HB2 1 1 4 2432 1 1 13 TYR HB3 H 0.547 -1.955 0.650 1.00 . A A . 13 TYR HB3 1 1 4 2433 1 1 13 TYR HD1 H 2.110 0.945 2.292 1.00 . A A . 13 TYR HD1 1 1 4 2434 1 1 13 TYR HD2 H -0.443 -2.446 2.825 1.00 . A A . 13 TYR HD2 1 1 4 2435 1 1 13 TYR HE1 H 1.314 1.885 4.516 1.00 . A A . 13 TYR HE1 1 1 4 2436 1 1 13 TYR HE2 H -1.230 -1.495 5.048 1.00 . A A . 13 TYR HE2 1 1 4 2437 1 1 13 TYR HH H -0.516 -0.004 6.718 1.00 . A A . 13 TYR HH 1 1 4 2438 1 1 13 TYR N N 2.731 -2.921 -0.085 1.00 . A A . 13 TYR N 1 1 4 2439 1 1 13 TYR O O 1.768 -4.306 2.127 1.00 . A A . 13 TYR O 1 1 4 2440 1 1 13 TYR OH O -0.409 0.734 6.052 1.00 . A A . 13 TYR OH 1 1 4 2441 1 1 14 ASP C C 1.950 -3.133 5.697 1.00 . A A . 14 ASP C 1 1 4 2442 1 1 14 ASP CA C 2.834 -3.804 4.645 1.00 . A A . 14 ASP CA 1 1 4 2443 1 1 14 ASP CB C 4.205 -4.062 5.274 1.00 . A A . 14 ASP CB 1 1 4 2444 1 1 14 ASP CG C 4.844 -5.402 4.905 1.00 . A A . 14 ASP CG 1 1 4 2445 1 1 14 ASP H H 3.458 -2.089 3.640 1.00 . A A . 14 ASP H 1 1 4 2446 1 1 14 ASP HA H 2.403 -4.731 4.267 1.00 . A A . 14 ASP HA 1 1 4 2447 1 1 14 ASP HB2 H 4.881 -3.260 4.979 1.00 . A A . 14 ASP HB2 1 1 4 2448 1 1 14 ASP HB3 H 4.105 -4.011 6.359 1.00 . A A . 14 ASP HB3 1 1 4 2449 1 1 14 ASP HD2 H 4.183 -6.121 6.515 1.00 . A A . 14 ASP HD2 1 1 4 2450 1 1 14 ASP N N 2.947 -2.935 3.486 1.00 . A A . 14 ASP N 1 1 4 2451 1 1 14 ASP O O 2.356 -2.155 6.323 1.00 . A A . 14 ASP O 1 1 4 2452 1 1 14 ASP OD1 O 5.696 -5.477 4.007 1.00 . A A . 14 ASP OD1 1 1 4 2453 1 1 14 ASP OD2 O 4.428 -6.413 5.590 1.00 . A A . 14 ASP OD2 1 1 4 2454 1 1 15 PRO C C 0.183 -3.538 8.257 1.00 . A A . 15 PRO C 1 1 4 2455 1 1 15 PRO CA C -0.222 -3.165 6.829 1.00 . A A . 15 PRO CA 1 1 4 2456 1 1 15 PRO CB C -1.567 -3.744 6.423 1.00 . A A . 15 PRO CB 1 1 4 2457 1 1 15 PRO CD C 0.208 -4.857 5.140 1.00 . A A . 15 PRO CD 1 1 4 2458 1 1 15 PRO CG C -1.257 -4.939 5.537 1.00 . A A . 15 PRO CG 1 1 4 2459 1 1 15 PRO HA H -0.223 -2.166 6.798 1.00 . A A . 15 PRO HA 1 1 4 2460 1 1 15 PRO HB2 H -2.143 -4.045 7.298 1.00 . A A . 15 PRO HB2 1 1 4 2461 1 1 15 PRO HB3 H -2.164 -3.005 5.887 1.00 . A A . 15 PRO HB3 1 1 4 2462 1 1 15 PRO HD2 H 0.744 -5.766 5.413 1.00 . A A . 15 PRO HD2 1 1 4 2463 1 1 15 PRO HD3 H 0.320 -4.733 4.063 1.00 . A A . 15 PRO HD3 1 1 4 2464 1 1 15 PRO HG2 H -1.457 -5.870 6.067 1.00 . A A . 15 PRO HG2 1 1 4 2465 1 1 15 PRO HG3 H -1.893 -4.934 4.652 1.00 . A A . 15 PRO HG3 1 1 4 2466 1 1 15 PRO N N 0.724 -3.699 5.864 1.00 . A A . 15 PRO N 1 1 4 2467 1 1 15 PRO O O -0.072 -2.785 9.195 1.00 . A A . 15 PRO O 1 1 4 2468 1 1 16 ALA C C 2.475 -4.383 10.119 1.00 . A A . 16 ALA C 1 1 4 2469 1 1 16 ALA CA C 1.250 -5.183 9.673 1.00 . A A . 16 ALA CA 1 1 4 2470 1 1 16 ALA CB C 1.532 -6.685 9.591 1.00 . A A . 16 ALA CB 1 1 4 2471 1 1 16 ALA H H 1.011 -5.308 7.607 1.00 . A A . 16 ALA H 1 1 4 2472 1 1 16 ALA HA H 0.440 -5.017 10.383 1.00 . A A . 16 ALA HA 1 1 4 2473 1 1 16 ALA HB1 H 1.436 -7.016 8.557 1.00 . A A . 16 ALA HB1 1 1 4 2474 1 1 16 ALA HB2 H 2.544 -6.884 9.944 1.00 . A A . 16 ALA HB2 1 1 4 2475 1 1 16 ALA HB3 H 0.818 -7.224 10.213 1.00 . A A . 16 ALA HB3 1 1 4 2476 1 1 16 ALA N N 0.808 -4.701 8.376 1.00 . A A . 16 ALA N 1 1 4 2477 1 1 16 ALA O O 2.941 -4.532 11.248 1.00 . A A . 16 ALA O 1 1 4 2478 1 1 17 GLU C C 3.719 -1.258 9.609 1.00 . A A . 17 GLU C 1 1 4 2479 1 1 17 GLU CA C 4.125 -2.728 9.495 1.00 . A A . 17 GLU CA 1 1 4 2480 1 1 17 GLU CB C 5.206 -2.917 8.429 1.00 . A A . 17 GLU CB 1 1 4 2481 1 1 17 GLU CD C 7.207 -3.500 9.849 1.00 . A A . 17 GLU CD 1 1 4 2482 1 1 17 GLU CG C 6.569 -2.447 8.941 1.00 . A A . 17 GLU CG 1 1 4 2483 1 1 17 GLU H H 2.578 -3.437 8.294 1.00 . A A . 17 GLU H 1 1 4 2484 1 1 17 GLU HA H 4.503 -3.083 10.454 1.00 . A A . 17 GLU HA 1 1 4 2485 1 1 17 GLU HB2 H 5.263 -3.968 8.146 1.00 . A A . 17 GLU HB2 1 1 4 2486 1 1 17 GLU HB3 H 4.938 -2.359 7.532 1.00 . A A . 17 GLU HB3 1 1 4 2487 1 1 17 GLU HE2 H 7.969 -2.097 10.847 1.00 . A A . 17 GLU HE2 1 1 4 2488 1 1 17 GLU HG2 H 7.228 -2.242 8.097 1.00 . A A . 17 GLU HG2 1 1 4 2489 1 1 17 GLU HG3 H 6.453 -1.511 9.488 1.00 . A A . 17 GLU HG3 1 1 4 2490 1 1 17 GLU N N 2.963 -3.552 9.210 1.00 . A A . 17 GLU N 1 1 4 2491 1 1 17 GLU O O 3.952 -0.623 10.637 1.00 . A A . 17 GLU O 1 1 4 2492 1 1 17 GLU OE1 O 6.822 -4.677 9.799 1.00 . A A . 17 GLU OE1 1 1 4 2493 1 1 17 GLU OE2 O 8.136 -3.058 10.627 1.00 . A A . 17 GLU OE2 1 1 4 2494 1 1 18 GLY C C 3.293 1.370 7.321 1.00 . A A . 18 GLY C 1 1 4 2495 1 1 18 GLY CA C 2.676 0.625 8.507 1.00 . A A . 18 GLY CA 1 1 4 2496 1 1 18 GLY H H 2.931 -1.281 7.708 1.00 . A A . 18 GLY H 1 1 4 2497 1 1 18 GLY HA2 H 1.588 0.663 8.438 1.00 . A A . 18 GLY HA2 1 1 4 2498 1 1 18 GLY HA3 H 2.953 1.121 9.437 1.00 . A A . 18 GLY HA3 1 1 4 2499 1 1 18 GLY N N 3.117 -0.759 8.539 1.00 . A A . 18 GLY N 1 1 4 2500 1 1 18 GLY O O 3.294 0.866 6.199 1.00 . A A . 18 GLY O 1 1 4 2501 1 1 19 ASP C C 5.003 4.639 7.222 1.00 . A A . 19 ASP C 1 1 4 2502 1 1 19 ASP CA C 4.422 3.377 6.582 1.00 . A A . 19 ASP CA 1 1 4 2503 1 1 19 ASP CB C 3.398 3.808 5.531 1.00 . A A . 19 ASP CB 1 1 4 2504 1 1 19 ASP CG C 3.930 3.874 4.098 1.00 . A A . 19 ASP CG 1 1 4 2505 1 1 19 ASP H H 3.798 2.961 8.525 1.00 . A A . 19 ASP H 1 1 4 2506 1 1 19 ASP HA H 5.190 2.745 6.136 1.00 . A A . 19 ASP HA 1 1 4 2507 1 1 19 ASP HB2 H 2.557 3.115 5.558 1.00 . A A . 19 ASP HB2 1 1 4 2508 1 1 19 ASP HB3 H 3.010 4.790 5.804 1.00 . A A . 19 ASP HB3 1 1 4 2509 1 1 19 ASP HD2 H 3.068 2.544 3.082 1.00 . A A . 19 ASP HD2 1 1 4 2510 1 1 19 ASP N N 3.803 2.558 7.610 1.00 . A A . 19 ASP N 1 1 4 2511 1 1 19 ASP O O 4.259 5.523 7.647 1.00 . A A . 19 ASP O 1 1 4 2512 1 1 19 ASP OD1 O 4.293 4.950 3.600 1.00 . A A . 19 ASP OD1 1 1 4 2513 1 1 19 ASP OD2 O 3.964 2.744 3.477 1.00 . A A . 19 ASP OD2 1 1 4 2514 1 1 20 PRO C C 7.010 7.029 6.911 1.00 . A A . 20 PRO C 1 1 4 2515 1 1 20 PRO CA C 7.050 5.825 7.854 1.00 . A A . 20 PRO CA 1 1 4 2516 1 1 20 PRO CB C 8.462 5.333 8.129 1.00 . A A . 20 PRO CB 1 1 4 2517 1 1 20 PRO CD C 7.273 3.658 6.780 1.00 . A A . 20 PRO CD 1 1 4 2518 1 1 20 PRO CG C 8.645 4.092 7.271 1.00 . A A . 20 PRO CG 1 1 4 2519 1 1 20 PRO HA H 6.590 6.118 8.692 1.00 . A A . 20 PRO HA 1 1 4 2520 1 1 20 PRO HB2 H 9.198 6.096 7.875 1.00 . A A . 20 PRO HB2 1 1 4 2521 1 1 20 PRO HB3 H 8.595 5.100 9.186 1.00 . A A . 20 PRO HB3 1 1 4 2522 1 1 20 PRO HD2 H 7.245 3.592 5.692 1.00 . A A . 20 PRO HD2 1 1 4 2523 1 1 20 PRO HD3 H 7.008 2.674 7.166 1.00 . A A . 20 PRO HD3 1 1 4 2524 1 1 20 PRO HG2 H 9.303 4.304 6.428 1.00 . A A . 20 PRO HG2 1 1 4 2525 1 1 20 PRO HG3 H 9.114 3.295 7.848 1.00 . A A . 20 PRO HG3 1 1 4 2526 1 1 20 PRO N N 6.361 4.685 7.273 1.00 . A A . 20 PRO N 1 1 4 2527 1 1 20 PRO O O 6.881 8.168 7.358 1.00 . A A . 20 PRO O 1 1 4 2528 1 1 21 ASP C C 6.071 8.843 5.008 1.00 . A A . 21 ASP C 1 1 4 2529 1 1 21 ASP CA C 7.101 7.782 4.615 1.00 . A A . 21 ASP CA 1 1 4 2530 1 1 21 ASP CB C 6.702 7.219 3.249 1.00 . A A . 21 ASP CB 1 1 4 2531 1 1 21 ASP CG C 7.231 8.005 2.047 1.00 . A A . 21 ASP CG 1 1 4 2532 1 1 21 ASP H H 7.227 5.808 5.269 1.00 . A A . 21 ASP H 1 1 4 2533 1 1 21 ASP HA H 8.117 8.175 4.588 1.00 . A A . 21 ASP HA 1 1 4 2534 1 1 21 ASP HB2 H 7.059 6.192 3.177 1.00 . A A . 21 ASP HB2 1 1 4 2535 1 1 21 ASP HB3 H 5.614 7.183 3.191 1.00 . A A . 21 ASP HB3 1 1 4 2536 1 1 21 ASP HD2 H 8.517 6.863 1.280 1.00 . A A . 21 ASP HD2 1 1 4 2537 1 1 21 ASP N N 7.123 6.737 5.624 1.00 . A A . 21 ASP N 1 1 4 2538 1 1 21 ASP O O 6.354 10.039 4.950 1.00 . A A . 21 ASP O 1 1 4 2539 1 1 21 ASP OD1 O 6.509 8.815 1.446 1.00 . A A . 21 ASP OD1 1 1 4 2540 1 1 21 ASP OD2 O 8.455 7.755 1.728 1.00 . A A . 21 ASP OD2 1 1 4 2541 1 1 22 ASN C C 3.698 9.243 7.326 1.00 . A A . 22 ASN C 1 1 4 2542 1 1 22 ASN CA C 3.825 9.261 5.801 1.00 . A A . 22 ASN CA 1 1 4 2543 1 1 22 ASN CB C 2.486 8.815 5.209 1.00 . A A . 22 ASN CB 1 1 4 2544 1 1 22 ASN CG C 2.384 9.202 3.733 1.00 . A A . 22 ASN CG 1 1 4 2545 1 1 22 ASN H H 4.676 7.394 5.443 1.00 . A A . 22 ASN H 1 1 4 2546 1 1 22 ASN HA H 4.109 10.241 5.418 1.00 . A A . 22 ASN HA 1 1 4 2547 1 1 22 ASN HB2 H 2.380 7.736 5.315 1.00 . A A . 22 ASN HB2 1 1 4 2548 1 1 22 ASN HB3 H 1.668 9.272 5.767 1.00 . A A . 22 ASN HB3 1 1 4 2549 1 1 22 ASN HD21 H 3.764 7.781 3.313 1.00 . A A . 22 ASN HD21 1 1 4 2550 1 1 22 ASN HD22 H 3.178 8.672 1.948 1.00 . A A . 22 ASN HD22 1 1 4 2551 1 1 22 ASN N N 4.898 8.368 5.399 1.00 . A A . 22 ASN N 1 1 4 2552 1 1 22 ASN ND2 N 3.174 8.493 2.932 1.00 . A A . 22 ASN ND2 1 1 4 2553 1 1 22 ASN O O 3.304 10.239 7.931 1.00 . A A . 22 ASN O 1 1 4 2554 1 1 22 ASN OD1 O 1.636 10.086 3.346 1.00 . A A . 22 ASN OD1 1 1 4 2555 1 1 23 GLY C C 2.748 7.106 9.744 1.00 . A A . 23 GLY C 1 1 4 2556 1 1 23 GLY CA C 3.967 7.940 9.345 1.00 . A A . 23 GLY CA 1 1 4 2557 1 1 23 GLY H H 4.358 7.295 7.404 1.00 . A A . 23 GLY H 1 1 4 2558 1 1 23 GLY HA2 H 4.875 7.459 9.707 1.00 . A A . 23 GLY HA2 1 1 4 2559 1 1 23 GLY HA3 H 3.913 8.919 9.821 1.00 . A A . 23 GLY HA3 1 1 4 2560 1 1 23 GLY N N 4.038 8.100 7.903 1.00 . A A . 23 GLY N 1 1 4 2561 1 1 23 GLY O O 1.673 7.650 9.994 1.00 . A A . 23 GLY O 1 1 4 2562 1 1 24 VAL C C 2.427 3.841 11.139 1.00 . A A . 24 VAL C 1 1 4 2563 1 1 24 VAL CA C 1.888 4.883 10.157 1.00 . A A . 24 VAL CA 1 1 4 2564 1 1 24 VAL CB C 1.280 4.260 8.899 1.00 . A A . 24 VAL CB 1 1 4 2565 1 1 24 VAL CG1 C 0.382 3.073 9.253 1.00 . A A . 24 VAL CG1 1 1 4 2566 1 1 24 VAL CG2 C 0.513 5.304 8.085 1.00 . A A . 24 VAL CG2 1 1 4 2567 1 1 24 VAL H H 3.833 5.363 9.588 1.00 . A A . 24 VAL H 1 1 4 2568 1 1 24 VAL HA H 1.111 5.465 10.654 1.00 . A A . 24 VAL HA 1 1 4 2569 1 1 24 VAL HB H 2.097 3.888 8.281 1.00 . A A . 24 VAL HB 1 1 4 2570 1 1 24 VAL HG11 H 0.976 2.301 9.743 1.00 . A A . 24 VAL HG11 1 1 4 2571 1 1 24 VAL HG12 H -0.409 3.405 9.927 1.00 . A A . 24 VAL HG12 1 1 4 2572 1 1 24 VAL HG13 H -0.062 2.669 8.344 1.00 . A A . 24 VAL HG13 1 1 4 2573 1 1 24 VAL HG21 H 0.117 6.067 8.755 1.00 . A A . 24 VAL HG21 1 1 4 2574 1 1 24 VAL HG22 H 1.186 5.768 7.363 1.00 . A A . 24 VAL HG22 1 1 4 2575 1 1 24 VAL HG23 H -0.309 4.821 7.557 1.00 . A A . 24 VAL HG23 1 1 4 2576 1 1 24 VAL N N 2.956 5.798 9.793 1.00 . A A . 24 VAL N 1 1 4 2577 1 1 24 VAL O O 3.634 3.617 11.211 1.00 . A A . 24 VAL O 1 1 4 2578 1 1 25 LYS C C 1.623 0.832 12.254 1.00 . A A . 25 LYS C 1 1 4 2579 1 1 25 LYS CA C 1.874 2.220 12.847 1.00 . A A . 25 LYS CA 1 1 4 2580 1 1 25 LYS CB C 1.148 2.464 14.172 1.00 . A A . 25 LYS CB 1 1 4 2581 1 1 25 LYS CD C -1.232 3.019 14.792 1.00 . A A . 25 LYS CD 1 1 4 2582 1 1 25 LYS CE C -1.382 2.672 16.275 1.00 . A A . 25 LYS CE 1 1 4 2583 1 1 25 LYS CG C -0.313 2.020 14.086 1.00 . A A . 25 LYS CG 1 1 4 2584 1 1 25 LYS H H 0.526 3.421 11.808 1.00 . A A . 25 LYS H 1 1 4 2585 1 1 25 LYS HA H 2.941 2.326 13.040 1.00 . A A . 25 LYS HA 1 1 4 2586 1 1 25 LYS HB2 H 1.651 1.919 14.972 1.00 . A A . 25 LYS HB2 1 1 4 2587 1 1 25 LYS HB3 H 1.197 3.522 14.428 1.00 . A A . 25 LYS HB3 1 1 4 2588 1 1 25 LYS HD2 H -0.828 4.026 14.690 1.00 . A A . 25 LYS HD2 1 1 4 2589 1 1 25 LYS HD3 H -2.212 3.018 14.315 1.00 . A A . 25 LYS HD3 1 1 4 2590 1 1 25 LYS HE2 H -2.425 2.449 16.499 1.00 . A A . 25 LYS HE2 1 1 4 2591 1 1 25 LYS HE3 H -0.807 1.775 16.505 1.00 . A A . 25 LYS HE3 1 1 4 2592 1 1 25 LYS HG2 H -0.608 1.926 13.041 1.00 . A A . 25 LYS HG2 1 1 4 2593 1 1 25 LYS HG3 H -0.425 1.035 14.538 1.00 . A A . 25 LYS HG3 1 1 4 2594 1 1 25 LYS HZ1 H -0.805 4.651 16.586 1.00 . A A . 25 LYS HZ1 1 1 4 2595 1 1 25 LYS HZ3 H -0.020 3.600 17.551 1.00 . A A . 25 LYS HZ3 1 1 4 2596 1 1 25 LYS N N 1.506 3.233 11.872 1.00 . A A . 25 LYS N 1 1 4 2597 1 1 25 LYS NZ N -0.916 3.796 17.119 1.00 . A A . 25 LYS NZ 1 1 4 2598 1 1 25 LYS O O 0.871 0.692 11.290 1.00 . A A . 25 LYS O 1 1 4 2599 1 1 26 PRO C C 0.786 -2.134 12.834 1.00 . A A . 26 PRO C 1 1 4 2600 1 1 26 PRO CA C 2.139 -1.556 12.414 1.00 . A A . 26 PRO CA 1 1 4 2601 1 1 26 PRO CB C 3.317 -2.299 13.022 1.00 . A A . 26 PRO CB 1 1 4 2602 1 1 26 PRO CD C 3.181 -0.055 14.014 1.00 . A A . 26 PRO CD 1 1 4 2603 1 1 26 PRO CG C 3.812 -1.429 14.166 1.00 . A A . 26 PRO CG 1 1 4 2604 1 1 26 PRO HA H 2.154 -1.593 11.415 1.00 . A A . 26 PRO HA 1 1 4 2605 1 1 26 PRO HB2 H 3.015 -3.283 13.382 1.00 . A A . 26 PRO HB2 1 1 4 2606 1 1 26 PRO HB3 H 4.103 -2.457 12.284 1.00 . A A . 26 PRO HB3 1 1 4 2607 1 1 26 PRO HD2 H 2.637 0.233 14.914 1.00 . A A . 26 PRO HD2 1 1 4 2608 1 1 26 PRO HD3 H 3.937 0.711 13.840 1.00 . A A . 26 PRO HD3 1 1 4 2609 1 1 26 PRO HG2 H 3.541 -1.870 15.126 1.00 . A A . 26 PRO HG2 1 1 4 2610 1 1 26 PRO HG3 H 4.900 -1.355 14.146 1.00 . A A . 26 PRO HG3 1 1 4 2611 1 1 26 PRO N N 2.283 -0.184 12.871 1.00 . A A . 26 PRO N 1 1 4 2612 1 1 26 PRO O O 0.273 -1.810 13.904 1.00 . A A . 26 PRO O 1 1 4 2613 1 1 27 GLY C C -2.186 -2.765 11.676 1.00 . A A . 27 GLY C 1 1 4 2614 1 1 27 GLY CA C -1.037 -3.607 12.236 1.00 . A A . 27 GLY CA 1 1 4 2615 1 1 27 GLY H H 0.669 -3.239 11.100 1.00 . A A . 27 GLY H 1 1 4 2616 1 1 27 GLY HA2 H -1.060 -4.602 11.792 1.00 . A A . 27 GLY HA2 1 1 4 2617 1 1 27 GLY HA3 H -1.166 -3.735 13.311 1.00 . A A . 27 GLY HA3 1 1 4 2618 1 1 27 GLY N N 0.246 -2.980 11.969 1.00 . A A . 27 GLY N 1 1 4 2619 1 1 27 GLY O O -3.353 -3.042 11.948 1.00 . A A . 27 GLY O 1 1 4 2620 1 1 28 THR C C -3.202 -1.383 8.920 1.00 . A A . 28 THR C 1 1 4 2621 1 1 28 THR CA C -2.799 -0.870 10.304 1.00 . A A . 28 THR CA 1 1 4 2622 1 1 28 THR CB C -2.213 0.543 10.281 1.00 . A A . 28 THR CB 1 1 4 2623 1 1 28 THR CG2 C -3.257 1.604 9.924 1.00 . A A . 28 THR CG2 1 1 4 2624 1 1 28 THR H H -0.863 -1.536 10.689 1.00 . A A . 28 THR H 1 1 4 2625 1 1 28 THR HA H -3.695 -0.883 10.923 1.00 . A A . 28 THR HA 1 1 4 2626 1 1 28 THR HB H -1.357 0.599 9.609 1.00 . A A . 28 THR HB 1 1 4 2627 1 1 28 THR HG1 H -2.739 0.928 12.173 1.00 . A A . 28 THR HG1 1 1 4 2628 1 1 28 THR HG21 H -4.240 1.274 10.261 1.00 . A A . 28 THR HG21 1 1 4 2629 1 1 28 THR HG22 H -3.002 2.544 10.414 1.00 . A A . 28 THR HG22 1 1 4 2630 1 1 28 THR HG23 H -3.273 1.749 8.844 1.00 . A A . 28 THR HG23 1 1 4 2631 1 1 28 THR N N -1.814 -1.754 10.904 1.00 . A A . 28 THR N 1 1 4 2632 1 1 28 THR O O -2.441 -2.103 8.275 1.00 . A A . 28 THR O 1 1 4 2633 1 1 28 THR OG1 O -1.899 0.811 11.645 1.00 . A A . 28 THR OG1 1 1 4 2634 1 1 29 SER C C -4.833 -0.239 6.221 1.00 . A A . 29 SER C 1 1 4 2635 1 1 29 SER CA C -4.912 -1.404 7.210 1.00 . A A . 29 SER CA 1 1 4 2636 1 1 29 SER CB C -6.352 -1.908 7.323 1.00 . A A . 29 SER CB 1 1 4 2637 1 1 29 SER H H -5.011 -0.407 9.036 1.00 . A A . 29 SER H 1 1 4 2638 1 1 29 SER HA H -4.266 -2.222 6.889 1.00 . A A . 29 SER HA 1 1 4 2639 1 1 29 SER HB2 H -6.351 -2.995 7.399 1.00 . A A . 29 SER HB2 1 1 4 2640 1 1 29 SER HB3 H -6.799 -1.525 8.240 1.00 . A A . 29 SER HB3 1 1 4 2641 1 1 29 SER HG H -6.612 -1.582 5.365 1.00 . A A . 29 SER HG 1 1 4 2642 1 1 29 SER N N -4.398 -0.993 8.505 1.00 . A A . 29 SER N 1 1 4 2643 1 1 29 SER O O -4.986 0.919 6.608 1.00 . A A . 29 SER O 1 1 4 2644 1 1 29 SER OG O -7.146 -1.511 6.208 1.00 . A A . 29 SER OG 1 1 4 2645 1 1 30 PHE C C -5.646 1.421 4.008 1.00 . A A . 30 PHE C 1 1 4 2646 1 1 30 PHE CA C -4.494 0.418 3.918 1.00 . A A . 30 PHE CA 1 1 4 2647 1 1 30 PHE CB C -4.581 -0.321 2.581 1.00 . A A . 30 PHE CB 1 1 4 2648 1 1 30 PHE CD1 C -4.966 1.285 0.698 1.00 . A A . 30 PHE CD1 1 1 4 2649 1 1 30 PHE CD2 C -2.788 0.442 1.008 1.00 . A A . 30 PHE CD2 1 1 4 2650 1 1 30 PHE CE1 C -4.513 2.046 -0.412 1.00 . A A . 30 PHE CE1 1 1 4 2651 1 1 30 PHE CE2 C -2.335 1.203 -0.102 1.00 . A A . 30 PHE CE2 1 1 4 2652 1 1 30 PHE CG C -4.093 0.499 1.385 1.00 . A A . 30 PHE CG 1 1 4 2653 1 1 30 PHE CZ C -3.208 1.989 -0.789 1.00 . A A . 30 PHE CZ 1 1 4 2654 1 1 30 PHE H H -4.472 -1.529 4.659 1.00 . A A . 30 PHE H 1 1 4 2655 1 1 30 PHE HA H -3.548 0.939 4.060 1.00 . A A . 30 PHE HA 1 1 4 2656 1 1 30 PHE HB2 H -3.993 -1.236 2.645 1.00 . A A . 30 PHE HB2 1 1 4 2657 1 1 30 PHE HB3 H -5.615 -0.618 2.408 1.00 . A A . 30 PHE HB3 1 1 4 2658 1 1 30 PHE HD1 H -6.012 1.330 1.000 1.00 . A A . 30 PHE HD1 1 1 4 2659 1 1 30 PHE HD2 H -2.089 -0.188 1.558 1.00 . A A . 30 PHE HD2 1 1 4 2660 1 1 30 PHE HE1 H -5.212 2.676 -0.962 1.00 . A A . 30 PHE HE1 1 1 4 2661 1 1 30 PHE HE2 H -1.289 1.157 -0.404 1.00 . A A . 30 PHE HE2 1 1 4 2662 1 1 30 PHE HZ H -2.861 2.573 -1.641 1.00 . A A . 30 PHE HZ 1 1 4 2663 1 1 30 PHE N N -4.595 -0.585 4.965 1.00 . A A . 30 PHE N 1 1 4 2664 1 1 30 PHE O O -5.418 2.629 4.059 1.00 . A A . 30 PHE O 1 1 4 2665 1 1 31 ASP C C -7.840 2.782 5.188 1.00 . A A . 31 ASP C 1 1 4 2666 1 1 31 ASP CA C -8.044 1.718 4.108 1.00 . A A . 31 ASP CA 1 1 4 2667 1 1 31 ASP CB C -9.273 0.890 4.486 1.00 . A A . 31 ASP CB 1 1 4 2668 1 1 31 ASP CG C -10.470 1.700 4.989 1.00 . A A . 31 ASP CG 1 1 4 2669 1 1 31 ASP H H -7.033 -0.099 3.983 1.00 . A A . 31 ASP H 1 1 4 2670 1 1 31 ASP HA H -8.161 2.150 3.114 1.00 . A A . 31 ASP HA 1 1 4 2671 1 1 31 ASP HB2 H -9.585 0.312 3.615 1.00 . A A . 31 ASP HB2 1 1 4 2672 1 1 31 ASP HB3 H -8.988 0.174 5.257 1.00 . A A . 31 ASP HB3 1 1 4 2673 1 1 31 ASP HD2 H -10.622 3.381 4.155 1.00 . A A . 31 ASP HD2 1 1 4 2674 1 1 31 ASP N N -6.857 0.884 4.025 1.00 . A A . 31 ASP N 1 1 4 2675 1 1 31 ASP O O -8.339 3.900 5.066 1.00 . A A . 31 ASP O 1 1 4 2676 1 1 31 ASP OD1 O -10.857 1.605 6.163 1.00 . A A . 31 ASP OD1 1 1 4 2677 1 1 31 ASP OD2 O -11.019 2.465 4.108 1.00 . A A . 31 ASP OD2 1 1 4 2678 1 1 32 ASP C C -5.968 4.462 6.821 1.00 . A A . 32 ASP C 1 1 4 2679 1 1 32 ASP CA C -6.832 3.303 7.324 1.00 . A A . 32 ASP CA 1 1 4 2680 1 1 32 ASP CB C -6.067 2.594 8.443 1.00 . A A . 32 ASP CB 1 1 4 2681 1 1 32 ASP CG C -6.108 3.298 9.801 1.00 . A A . 32 ASP CG 1 1 4 2682 1 1 32 ASP H H -6.706 1.485 6.315 1.00 . A A . 32 ASP H 1 1 4 2683 1 1 32 ASP HA H -7.809 3.634 7.674 1.00 . A A . 32 ASP HA 1 1 4 2684 1 1 32 ASP HB2 H -6.472 1.589 8.559 1.00 . A A . 32 ASP HB2 1 1 4 2685 1 1 32 ASP HB3 H -5.026 2.485 8.139 1.00 . A A . 32 ASP HB3 1 1 4 2686 1 1 32 ASP HD2 H -7.261 3.902 11.161 1.00 . A A . 32 ASP HD2 1 1 4 2687 1 1 32 ASP N N -7.107 2.397 6.222 1.00 . A A . 32 ASP N 1 1 4 2688 1 1 32 ASP O O -6.203 5.616 7.175 1.00 . A A . 32 ASP O 1 1 4 2689 1 1 32 ASP OD1 O -5.105 3.868 10.255 1.00 . A A . 32 ASP OD1 1 1 4 2690 1 1 32 ASP OD2 O -7.245 3.244 10.409 1.00 . A A . 32 ASP OD2 1 1 4 2691 1 1 33 LEU C C -4.883 6.361 5.076 1.00 . A A . 33 LEU C 1 1 4 2692 1 1 33 LEU CA C -4.085 5.110 5.448 1.00 . A A . 33 LEU CA 1 1 4 2693 1 1 33 LEU CB C -3.286 4.521 4.284 1.00 . A A . 33 LEU CB 1 1 4 2694 1 1 33 LEU CD1 C -1.659 2.821 3.377 1.00 . A A . 33 LEU CD1 1 1 4 2695 1 1 33 LEU CD2 C -1.351 3.764 5.712 1.00 . A A . 33 LEU CD2 1 1 4 2696 1 1 33 LEU CG C -2.353 3.359 4.630 1.00 . A A . 33 LEU CG 1 1 4 2697 1 1 33 LEU H H -4.800 3.172 5.720 1.00 . A A . 33 LEU H 1 1 4 2698 1 1 33 LEU HA H -3.371 5.375 6.228 1.00 . A A . 33 LEU HA 1 1 4 2699 1 1 33 LEU HB2 H -3.989 4.183 3.522 1.00 . A A . 33 LEU HB2 1 1 4 2700 1 1 33 LEU HB3 H -2.691 5.318 3.837 1.00 . A A . 33 LEU HB3 1 1 4 2701 1 1 33 LEU HD11 H -1.940 1.779 3.225 1.00 . A A . 33 LEU HD11 1 1 4 2702 1 1 33 LEU HD12 H -1.964 3.410 2.512 1.00 . A A . 33 LEU HD12 1 1 4 2703 1 1 33 LEU HD13 H -0.578 2.892 3.502 1.00 . A A . 33 LEU HD13 1 1 4 2704 1 1 33 LEU HD21 H -0.412 3.232 5.556 1.00 . A A . 33 LEU HD21 1 1 4 2705 1 1 33 LEU HD22 H -1.172 4.838 5.658 1.00 . A A . 33 LEU HD22 1 1 4 2706 1 1 33 LEU HD23 H -1.753 3.512 6.693 1.00 . A A . 33 LEU HD23 1 1 4 2707 1 1 33 LEU HG H -2.956 2.547 5.038 1.00 . A A . 33 LEU HG 1 1 4 2708 1 1 33 LEU N N -4.985 4.114 6.003 1.00 . A A . 33 LEU N 1 1 4 2709 1 1 33 LEU O O -6.062 6.272 4.737 1.00 . A A . 33 LEU O 1 1 4 2710 1 1 34 PRO C C -4.987 8.955 3.316 1.00 . A A . 34 PRO C 1 1 4 2711 1 1 34 PRO CA C -4.822 8.797 4.829 1.00 . A A . 34 PRO CA 1 1 4 2712 1 1 34 PRO CB C -3.919 9.854 5.442 1.00 . A A . 34 PRO CB 1 1 4 2713 1 1 34 PRO CD C -2.793 7.673 5.551 1.00 . A A . 34 PRO CD 1 1 4 2714 1 1 34 PRO CG C -2.582 9.172 5.683 1.00 . A A . 34 PRO CG 1 1 4 2715 1 1 34 PRO HA H -5.746 8.832 5.210 1.00 . A A . 34 PRO HA 1 1 4 2716 1 1 34 PRO HB2 H -3.807 10.708 4.773 1.00 . A A . 34 PRO HB2 1 1 4 2717 1 1 34 PRO HB3 H -4.337 10.233 6.375 1.00 . A A . 34 PRO HB3 1 1 4 2718 1 1 34 PRO HD2 H -2.123 7.242 4.807 1.00 . A A . 34 PRO HD2 1 1 4 2719 1 1 34 PRO HD3 H -2.594 7.161 6.493 1.00 . A A . 34 PRO HD3 1 1 4 2720 1 1 34 PRO HG2 H -1.841 9.518 4.961 1.00 . A A . 34 PRO HG2 1 1 4 2721 1 1 34 PRO HG3 H -2.200 9.419 6.673 1.00 . A A . 34 PRO HG3 1 1 4 2722 1 1 34 PRO N N -4.190 7.529 5.154 1.00 . A A . 34 PRO N 1 1 4 2723 1 1 34 PRO O O -4.568 8.091 2.549 1.00 . A A . 34 PRO O 1 1 4 2724 1 1 35 ALA C C -4.508 10.784 0.880 1.00 . A A . 35 ALA C 1 1 4 2725 1 1 35 ALA CA C -5.825 10.350 1.526 1.00 . A A . 35 ALA CA 1 1 4 2726 1 1 35 ALA CB C -6.920 11.409 1.388 1.00 . A A . 35 ALA CB 1 1 4 2727 1 1 35 ALA H H -5.937 10.765 3.565 1.00 . A A . 35 ALA H 1 1 4 2728 1 1 35 ALA HA H -6.165 9.429 1.053 1.00 . A A . 35 ALA HA 1 1 4 2729 1 1 35 ALA HB1 H -7.861 10.926 1.125 1.00 . A A . 35 ALA HB1 1 1 4 2730 1 1 35 ALA HB2 H -7.035 11.939 2.334 1.00 . A A . 35 ALA HB2 1 1 4 2731 1 1 35 ALA HB3 H -6.644 12.117 0.606 1.00 . A A . 35 ALA HB3 1 1 4 2732 1 1 35 ALA N N -5.599 10.067 2.934 1.00 . A A . 35 ALA N 1 1 4 2733 1 1 35 ALA O O -4.034 10.149 -0.060 1.00 . A A . 35 ALA O 1 1 4 2734 1 1 36 ASP C C -1.710 11.243 0.705 1.00 . A A . 36 ASP C 1 1 4 2735 1 1 36 ASP CA C -2.701 12.392 0.897 1.00 . A A . 36 ASP CA 1 1 4 2736 1 1 36 ASP CB C -2.082 13.392 1.876 1.00 . A A . 36 ASP CB 1 1 4 2737 1 1 36 ASP CG C -1.617 12.792 3.205 1.00 . A A . 36 ASP CG 1 1 4 2738 1 1 36 ASP H H -4.346 12.376 2.175 1.00 . A A . 36 ASP H 1 1 4 2739 1 1 36 ASP HA H -2.960 12.882 -0.042 1.00 . A A . 36 ASP HA 1 1 4 2740 1 1 36 ASP HB2 H -1.230 13.871 1.393 1.00 . A A . 36 ASP HB2 1 1 4 2741 1 1 36 ASP HB3 H -2.812 14.174 2.084 1.00 . A A . 36 ASP HB3 1 1 4 2742 1 1 36 ASP HD2 H -0.118 12.025 4.049 1.00 . A A . 36 ASP HD2 1 1 4 2743 1 1 36 ASP N N -3.954 11.865 1.411 1.00 . A A . 36 ASP N 1 1 4 2744 1 1 36 ASP O O -0.792 11.340 -0.109 1.00 . A A . 36 ASP O 1 1 4 2745 1 1 36 ASP OD1 O -2.435 12.433 4.065 1.00 . A A . 36 ASP OD1 1 1 4 2746 1 1 36 ASP OD2 O -0.338 12.698 3.342 1.00 . A A . 36 ASP OD2 1 1 4 2747 1 1 37 TRP C C -1.095 8.499 -0.050 1.00 . A A . 37 TRP C 1 1 4 2748 1 1 37 TRP CA C -1.066 9.015 1.390 1.00 . A A . 37 TRP CA 1 1 4 2749 1 1 37 TRP CB C -1.483 7.956 2.413 1.00 . A A . 37 TRP CB 1 1 4 2750 1 1 37 TRP CD1 C 0.347 6.458 3.448 1.00 . A A . 37 TRP CD1 1 1 4 2751 1 1 37 TRP CD2 C -0.419 5.694 1.514 1.00 . A A . 37 TRP CD2 1 1 4 2752 1 1 37 TRP CE2 C 0.544 4.810 1.955 1.00 . A A . 37 TRP CE2 1 1 4 2753 1 1 37 TRP CE3 C -1.103 5.489 0.303 1.00 . A A . 37 TRP CE3 1 1 4 2754 1 1 37 TRP CG C -0.538 6.755 2.486 1.00 . A A . 37 TRP CG 1 1 4 2755 1 1 37 TRP CH2 C 0.242 3.435 0.036 1.00 . A A . 37 TRP CH2 1 1 4 2756 1 1 37 TRP CZ2 C 0.910 3.659 1.246 1.00 . A A . 37 TRP CZ2 1 1 4 2757 1 1 37 TRP CZ3 C -0.725 4.335 -0.394 1.00 . A A . 37 TRP CZ3 1 1 4 2758 1 1 37 TRP H H -2.677 10.111 2.126 1.00 . A A . 37 TRP H 1 1 4 2759 1 1 37 TRP HA H -0.056 9.329 1.652 1.00 . A A . 37 TRP HA 1 1 4 2760 1 1 37 TRP HB2 H -1.540 8.420 3.398 1.00 . A A . 37 TRP HB2 1 1 4 2761 1 1 37 TRP HB3 H -2.484 7.603 2.168 1.00 . A A . 37 TRP HB3 1 1 4 2762 1 1 37 TRP HD1 H 0.511 7.064 4.339 1.00 . A A . 37 TRP HD1 1 1 4 2763 1 1 37 TRP HE1 H 1.795 4.826 3.785 1.00 . A A . 37 TRP HE1 1 1 4 2764 1 1 37 TRP HE3 H -1.867 6.173 -0.067 1.00 . A A . 37 TRP HE3 1 1 4 2765 1 1 37 TRP HH2 H 0.480 2.558 -0.565 1.00 . A A . 37 TRP HH2 1 1 4 2766 1 1 37 TRP HZ2 H 1.674 2.976 1.616 1.00 . A A . 37 TRP HZ2 1 1 4 2767 1 1 37 TRP HZ3 H -1.225 4.129 -1.340 1.00 . A A . 37 TRP HZ3 1 1 4 2768 1 1 37 TRP N N -1.928 10.181 1.467 1.00 . A A . 37 TRP N 1 1 4 2769 1 1 37 TRP NE1 N 1.024 5.289 3.168 1.00 . A A . 37 TRP NE1 1 1 4 2770 1 1 37 TRP O O -2.146 8.492 -0.689 1.00 . A A . 37 TRP O 1 1 4 2771 1 1 38 VAL C C 1.450 6.697 -1.971 1.00 . A A . 38 VAL C 1 1 4 2772 1 1 38 VAL CA C 0.192 7.562 -1.871 1.00 . A A . 38 VAL CA 1 1 4 2773 1 1 38 VAL CB C 0.178 8.716 -2.875 1.00 . A A . 38 VAL CB 1 1 4 2774 1 1 38 VAL CG1 C -1.224 9.316 -3.002 1.00 . A A . 38 VAL CG1 1 1 4 2775 1 1 38 VAL CG2 C 1.201 9.788 -2.493 1.00 . A A . 38 VAL CG2 1 1 4 2776 1 1 38 VAL H H 0.921 8.087 0.008 1.00 . A A . 38 VAL H 1 1 4 2777 1 1 38 VAL HA H -0.680 6.937 -2.063 1.00 . A A . 38 VAL HA 1 1 4 2778 1 1 38 VAL HB H 0.460 8.316 -3.849 1.00 . A A . 38 VAL HB 1 1 4 2779 1 1 38 VAL HG11 H -1.964 8.516 -2.979 1.00 . A A . 38 VAL HG11 1 1 4 2780 1 1 38 VAL HG12 H -1.402 10.000 -2.172 1.00 . A A . 38 VAL HG12 1 1 4 2781 1 1 38 VAL HG13 H -1.303 9.858 -3.944 1.00 . A A . 38 VAL HG13 1 1 4 2782 1 1 38 VAL HG21 H 1.115 10.632 -3.176 1.00 . A A . 38 VAL HG21 1 1 4 2783 1 1 38 VAL HG22 H 1.011 10.124 -1.473 1.00 . A A . 38 VAL HG22 1 1 4 2784 1 1 38 VAL HG23 H 2.206 9.370 -2.556 1.00 . A A . 38 VAL HG23 1 1 4 2785 1 1 38 VAL N N 0.071 8.078 -0.518 1.00 . A A . 38 VAL N 1 1 4 2786 1 1 38 VAL O O 2.384 6.861 -1.189 1.00 . A A . 38 VAL O 1 1 4 2787 1 1 39 CYS C C 3.849 5.709 -2.981 1.00 . A A . 39 CYS C 1 1 4 2788 1 1 39 CYS CA C 2.560 4.903 -3.154 1.00 . A A . 39 CYS CA 1 1 4 2789 1 1 39 CYS CB C 2.492 4.221 -4.522 1.00 . A A . 39 CYS CB 1 1 4 2790 1 1 39 CYS H H 0.668 5.666 -3.573 1.00 . A A . 39 CYS H 1 1 4 2791 1 1 39 CYS HA H 2.488 4.121 -2.398 1.00 . A A . 39 CYS HA 1 1 4 2792 1 1 39 CYS HB2 H 1.694 3.480 -4.504 1.00 . A A . 39 CYS HB2 1 1 4 2793 1 1 39 CYS HB3 H 2.220 4.966 -5.270 1.00 . A A . 39 CYS HB3 1 1 4 2794 1 1 39 CYS N N 1.432 5.794 -2.941 1.00 . A A . 39 CYS N 1 1 4 2795 1 1 39 CYS O O 4.226 6.479 -3.862 1.00 . A A . 39 CYS O 1 1 4 2796 1 1 39 CYS SG S 4.041 3.401 -5.048 1.00 . A A . 39 CYS SG 1 1 4 2797 1 1 40 PRO C C 6.911 5.612 -2.308 1.00 . A A . 40 PRO C 1 1 4 2798 1 1 40 PRO CA C 5.744 6.197 -1.509 1.00 . A A . 40 PRO CA 1 1 4 2799 1 1 40 PRO CB C 5.923 6.054 -0.006 1.00 . A A . 40 PRO CB 1 1 4 2800 1 1 40 PRO CD C 4.088 4.594 -0.742 1.00 . A A . 40 PRO CD 1 1 4 2801 1 1 40 PRO CG C 5.033 4.895 0.411 1.00 . A A . 40 PRO CG 1 1 4 2802 1 1 40 PRO HA H 5.678 7.156 -1.785 1.00 . A A . 40 PRO HA 1 1 4 2803 1 1 40 PRO HB2 H 6.964 5.857 0.247 1.00 . A A . 40 PRO HB2 1 1 4 2804 1 1 40 PRO HB3 H 5.637 6.971 0.510 1.00 . A A . 40 PRO HB3 1 1 4 2805 1 1 40 PRO HD2 H 4.164 3.552 -1.054 1.00 . A A . 40 PRO HD2 1 1 4 2806 1 1 40 PRO HD3 H 3.050 4.767 -0.459 1.00 . A A . 40 PRO HD3 1 1 4 2807 1 1 40 PRO HG2 H 5.635 4.018 0.650 1.00 . A A . 40 PRO HG2 1 1 4 2808 1 1 40 PRO HG3 H 4.470 5.149 1.309 1.00 . A A . 40 PRO HG3 1 1 4 2809 1 1 40 PRO N N 4.506 5.498 -1.809 1.00 . A A . 40 PRO N 1 1 4 2810 1 1 40 PRO O O 7.962 5.309 -1.746 1.00 . A A . 40 PRO O 1 1 4 2811 1 1 41 VAL C C 7.630 5.633 -5.842 1.00 . A A . 41 VAL C 1 1 4 2812 1 1 41 VAL CA C 7.705 4.927 -4.487 1.00 . A A . 41 VAL CA 1 1 4 2813 1 1 41 VAL CB C 7.548 3.409 -4.595 1.00 . A A . 41 VAL CB 1 1 4 2814 1 1 41 VAL CG1 C 8.585 2.817 -5.552 1.00 . A A . 41 VAL CG1 1 1 4 2815 1 1 41 VAL CG2 C 7.635 2.750 -3.217 1.00 . A A . 41 VAL CG2 1 1 4 2816 1 1 41 VAL H H 5.827 5.719 -4.055 1.00 . A A . 41 VAL H 1 1 4 2817 1 1 41 VAL HA H 8.675 5.135 -4.036 1.00 . A A . 41 VAL HA 1 1 4 2818 1 1 41 VAL HB H 6.559 3.202 -5.003 1.00 . A A . 41 VAL HB 1 1 4 2819 1 1 41 VAL HG11 H 8.259 2.971 -6.581 1.00 . A A . 41 VAL HG11 1 1 4 2820 1 1 41 VAL HG12 H 9.545 3.310 -5.397 1.00 . A A . 41 VAL HG12 1 1 4 2821 1 1 41 VAL HG13 H 8.690 1.750 -5.359 1.00 . A A . 41 VAL HG13 1 1 4 2822 1 1 41 VAL HG21 H 7.993 1.726 -3.325 1.00 . A A . 41 VAL HG21 1 1 4 2823 1 1 41 VAL HG22 H 8.325 3.312 -2.588 1.00 . A A . 41 VAL HG22 1 1 4 2824 1 1 41 VAL HG23 H 6.647 2.742 -2.755 1.00 . A A . 41 VAL HG23 1 1 4 2825 1 1 41 VAL N N 6.685 5.470 -3.606 1.00 . A A . 41 VAL N 1 1 4 2826 1 1 41 VAL O O 8.602 6.246 -6.282 1.00 . A A . 41 VAL O 1 1 4 2827 1 1 42 CYS C C 5.331 7.351 -7.572 1.00 . A A . 42 CYS C 1 1 4 2828 1 1 42 CYS CA C 6.252 6.145 -7.763 1.00 . A A . 42 CYS CA 1 1 4 2829 1 1 42 CYS CB C 5.687 5.151 -8.780 1.00 . A A . 42 CYS CB 1 1 4 2830 1 1 42 CYS H H 5.681 5.024 -6.103 1.00 . A A . 42 CYS H 1 1 4 2831 1 1 42 CYS HA H 7.231 6.459 -8.126 1.00 . A A . 42 CYS HA 1 1 4 2832 1 1 42 CYS HB2 H 5.975 5.473 -9.781 1.00 . A A . 42 CYS HB2 1 1 4 2833 1 1 42 CYS HB3 H 6.151 4.178 -8.613 1.00 . A A . 42 CYS HB3 1 1 4 2834 1 1 42 CYS N N 6.467 5.524 -6.467 1.00 . A A . 42 CYS N 1 1 4 2835 1 1 42 CYS O O 5.311 8.259 -8.401 1.00 . A A . 42 CYS O 1 1 4 2836 1 1 42 CYS SG S 3.869 4.949 -8.728 1.00 . A A . 42 CYS SG 1 1 4 2837 1 1 43 GLY C C 2.225 7.995 -6.471 1.00 . A A . 43 GLY C 1 1 4 2838 1 1 43 GLY CA C 3.668 8.401 -6.164 1.00 . A A . 43 GLY CA 1 1 4 2839 1 1 43 GLY H H 4.612 6.578 -5.805 1.00 . A A . 43 GLY H 1 1 4 2840 1 1 43 GLY HA2 H 3.758 8.668 -5.111 1.00 . A A . 43 GLY HA2 1 1 4 2841 1 1 43 GLY HA3 H 3.932 9.286 -6.741 1.00 . A A . 43 GLY HA3 1 1 4 2842 1 1 43 GLY N N 4.590 7.321 -6.474 1.00 . A A . 43 GLY N 1 1 4 2843 1 1 43 GLY O O 1.300 8.781 -6.271 1.00 . A A . 43 GLY O 1 1 4 2844 1 1 44 ALA C C -0.204 6.539 -6.141 1.00 . A A . 44 ALA C 1 1 4 2845 1 1 44 ALA CA C 0.764 6.251 -7.291 1.00 . A A . 44 ALA CA 1 1 4 2846 1 1 44 ALA CB C 0.869 4.757 -7.603 1.00 . A A . 44 ALA CB 1 1 4 2847 1 1 44 ALA H H 2.836 6.137 -7.113 1.00 . A A . 44 ALA H 1 1 4 2848 1 1 44 ALA HA H 0.420 6.773 -8.184 1.00 . A A . 44 ALA HA 1 1 4 2849 1 1 44 ALA HB1 H 1.313 4.623 -8.590 1.00 . A A . 44 ALA HB1 1 1 4 2850 1 1 44 ALA HB2 H 1.495 4.272 -6.854 1.00 . A A . 44 ALA HB2 1 1 4 2851 1 1 44 ALA HB3 H -0.126 4.312 -7.589 1.00 . A A . 44 ALA HB3 1 1 4 2852 1 1 44 ALA N N 2.078 6.770 -6.953 1.00 . A A . 44 ALA N 1 1 4 2853 1 1 44 ALA O O 0.175 6.466 -4.973 1.00 . A A . 44 ALA O 1 1 4 2854 1 1 45 PRO C C -2.993 5.891 -4.861 1.00 . A A . 45 PRO C 1 1 4 2855 1 1 45 PRO CA C -2.492 7.169 -5.537 1.00 . A A . 45 PRO CA 1 1 4 2856 1 1 45 PRO CB C -3.579 7.898 -6.309 1.00 . A A . 45 PRO CB 1 1 4 2857 1 1 45 PRO CD C -1.951 6.966 -7.896 1.00 . A A . 45 PRO CD 1 1 4 2858 1 1 45 PRO CG C -3.340 7.572 -7.774 1.00 . A A . 45 PRO CG 1 1 4 2859 1 1 45 PRO HA H -2.114 7.736 -4.804 1.00 . A A . 45 PRO HA 1 1 4 2860 1 1 45 PRO HB2 H -4.570 7.571 -5.993 1.00 . A A . 45 PRO HB2 1 1 4 2861 1 1 45 PRO HB3 H -3.528 8.973 -6.135 1.00 . A A . 45 PRO HB3 1 1 4 2862 1 1 45 PRO HD2 H -1.987 5.987 -8.373 1.00 . A A . 45 PRO HD2 1 1 4 2863 1 1 45 PRO HD3 H -1.298 7.593 -8.503 1.00 . A A . 45 PRO HD3 1 1 4 2864 1 1 45 PRO HG2 H -4.094 6.874 -8.138 1.00 . A A . 45 PRO HG2 1 1 4 2865 1 1 45 PRO HG3 H -3.419 8.472 -8.384 1.00 . A A . 45 PRO HG3 1 1 4 2866 1 1 45 PRO N N -1.467 6.870 -6.522 1.00 . A A . 45 PRO N 1 1 4 2867 1 1 45 PRO O O -3.019 4.828 -5.478 1.00 . A A . 45 PRO O 1 1 4 2868 1 1 46 LYS C C -5.002 4.225 -3.616 1.00 . A A . 46 LYS C 1 1 4 2869 1 1 46 LYS CA C -3.877 4.909 -2.836 1.00 . A A . 46 LYS CA 1 1 4 2870 1 1 46 LYS CB C -4.286 5.353 -1.430 1.00 . A A . 46 LYS CB 1 1 4 2871 1 1 46 LYS CD C -6.141 6.316 -0.019 1.00 . A A . 46 LYS CD 1 1 4 2872 1 1 46 LYS CE C -6.944 5.154 0.570 1.00 . A A . 46 LYS CE 1 1 4 2873 1 1 46 LYS CG C -5.675 5.996 -1.440 1.00 . A A . 46 LYS CG 1 1 4 2874 1 1 46 LYS H H -3.354 6.907 -3.107 1.00 . A A . 46 LYS H 1 1 4 2875 1 1 46 LYS HA H -3.056 4.201 -2.724 1.00 . A A . 46 LYS HA 1 1 4 2876 1 1 46 LYS HB2 H -4.283 4.496 -0.757 1.00 . A A . 46 LYS HB2 1 1 4 2877 1 1 46 LYS HB3 H -3.556 6.064 -1.043 1.00 . A A . 46 LYS HB3 1 1 4 2878 1 1 46 LYS HD2 H -5.278 6.523 0.613 1.00 . A A . 46 LYS HD2 1 1 4 2879 1 1 46 LYS HD3 H -6.754 7.218 -0.027 1.00 . A A . 46 LYS HD3 1 1 4 2880 1 1 46 LYS HE2 H -6.382 4.226 0.465 1.00 . A A . 46 LYS HE2 1 1 4 2881 1 1 46 LYS HE3 H -7.097 5.314 1.637 1.00 . A A . 46 LYS HE3 1 1 4 2882 1 1 46 LYS HG2 H -5.653 6.909 -2.034 1.00 . A A . 46 LYS HG2 1 1 4 2883 1 1 46 LYS HG3 H -6.387 5.322 -1.917 1.00 . A A . 46 LYS HG3 1 1 4 2884 1 1 46 LYS HZ1 H -8.277 4.233 -0.740 1.00 . A A . 46 LYS HZ1 1 1 4 2885 1 1 46 LYS HZ3 H -8.470 5.848 -0.668 1.00 . A A . 46 LYS HZ3 1 1 4 2886 1 1 46 LYS N N -3.379 6.038 -3.602 1.00 . A A . 46 LYS N 1 1 4 2887 1 1 46 LYS NZ N -8.251 5.029 -0.112 1.00 . A A . 46 LYS NZ 1 1 4 2888 1 1 46 LYS O O -5.319 3.064 -3.366 1.00 . A A . 46 LYS O 1 1 4 2889 1 1 47 SER C C -6.103 3.499 -6.420 1.00 . A A . 47 SER C 1 1 4 2890 1 1 47 SER CA C -6.658 4.457 -5.364 1.00 . A A . 47 SER CA 1 1 4 2891 1 1 47 SER CB C -7.434 5.593 -6.034 1.00 . A A . 47 SER CB 1 1 4 2892 1 1 47 SER H H -5.311 5.920 -4.743 1.00 . A A . 47 SER H 1 1 4 2893 1 1 47 SER HA H -7.313 3.927 -4.673 1.00 . A A . 47 SER HA 1 1 4 2894 1 1 47 SER HB2 H -8.342 5.193 -6.487 1.00 . A A . 47 SER HB2 1 1 4 2895 1 1 47 SER HB3 H -7.746 6.313 -5.278 1.00 . A A . 47 SER HB3 1 1 4 2896 1 1 47 SER HG H -6.477 7.197 -6.750 1.00 . A A . 47 SER HG 1 1 4 2897 1 1 47 SER N N -5.575 4.976 -4.546 1.00 . A A . 47 SER N 1 1 4 2898 1 1 47 SER O O -6.860 2.779 -7.069 1.00 . A A . 47 SER O 1 1 4 2899 1 1 47 SER OG O -6.659 6.255 -7.029 1.00 . A A . 47 SER OG 1 1 4 2900 1 1 48 GLU C C -3.497 1.454 -6.820 1.00 . A A . 48 GLU C 1 1 4 2901 1 1 48 GLU CA C -4.120 2.662 -7.524 1.00 . A A . 48 GLU CA 1 1 4 2902 1 1 48 GLU CB C -3.066 3.439 -8.314 1.00 . A A . 48 GLU CB 1 1 4 2903 1 1 48 GLU CD C -3.035 3.961 -10.782 1.00 . A A . 48 GLU CD 1 1 4 2904 1 1 48 GLU CG C -3.713 4.249 -9.440 1.00 . A A . 48 GLU CG 1 1 4 2905 1 1 48 GLU H H -4.176 4.108 -6.026 1.00 . A A . 48 GLU H 1 1 4 2906 1 1 48 GLU HA H -4.904 2.329 -8.204 1.00 . A A . 48 GLU HA 1 1 4 2907 1 1 48 GLU HB2 H -2.525 4.108 -7.645 1.00 . A A . 48 GLU HB2 1 1 4 2908 1 1 48 GLU HB3 H -2.336 2.747 -8.733 1.00 . A A . 48 GLU HB3 1 1 4 2909 1 1 48 GLU HE2 H -3.040 5.820 -11.083 1.00 . A A . 48 GLU HE2 1 1 4 2910 1 1 48 GLU HG2 H -4.773 4.006 -9.505 1.00 . A A . 48 GLU HG2 1 1 4 2911 1 1 48 GLU HG3 H -3.643 5.313 -9.215 1.00 . A A . 48 GLU HG3 1 1 4 2912 1 1 48 GLU N N -4.785 3.520 -6.558 1.00 . A A . 48 GLU N 1 1 4 2913 1 1 48 GLU O O -2.465 0.944 -7.252 1.00 . A A . 48 GLU O 1 1 4 2914 1 1 48 GLU OE1 O -2.976 2.798 -11.209 1.00 . A A . 48 GLU OE1 1 1 4 2915 1 1 48 GLU OE2 O -2.560 4.996 -11.386 1.00 . A A . 48 GLU OE2 1 1 4 2916 1 1 49 PHE C C -4.773 -1.158 -4.819 1.00 . A A . 49 PHE C 1 1 4 2917 1 1 49 PHE CA C -3.674 -0.106 -4.980 1.00 . A A . 49 PHE CA 1 1 4 2918 1 1 49 PHE CB C -3.281 0.420 -3.598 1.00 . A A . 49 PHE CB 1 1 4 2919 1 1 49 PHE CD1 C -1.047 -0.656 -3.251 1.00 . A A . 49 PHE CD1 1 1 4 2920 1 1 49 PHE CD2 C -1.152 1.697 -3.272 1.00 . A A . 49 PHE CD2 1 1 4 2921 1 1 49 PHE CE1 C 0.355 -0.591 -3.035 1.00 . A A . 49 PHE CE1 1 1 4 2922 1 1 49 PHE CE2 C 0.250 1.762 -3.056 1.00 . A A . 49 PHE CE2 1 1 4 2923 1 1 49 PHE CG C -1.771 0.490 -3.365 1.00 . A A . 49 PHE CG 1 1 4 2924 1 1 49 PHE CZ C 0.974 0.616 -2.941 1.00 . A A . 49 PHE CZ 1 1 4 2925 1 1 49 PHE H H -4.990 1.453 -5.403 1.00 . A A . 49 PHE H 1 1 4 2926 1 1 49 PHE HA H -2.837 -0.538 -5.529 1.00 . A A . 49 PHE HA 1 1 4 2927 1 1 49 PHE HB2 H -3.706 1.415 -3.465 1.00 . A A . 49 PHE HB2 1 1 4 2928 1 1 49 PHE HB3 H -3.727 -0.221 -2.837 1.00 . A A . 49 PHE HB3 1 1 4 2929 1 1 49 PHE HD1 H -1.543 -1.624 -3.325 1.00 . A A . 49 PHE HD1 1 1 4 2930 1 1 49 PHE HD2 H -1.733 2.615 -3.363 1.00 . A A . 49 PHE HD2 1 1 4 2931 1 1 49 PHE HE1 H 0.935 -1.509 -2.943 1.00 . A A . 49 PHE HE1 1 1 4 2932 1 1 49 PHE HE2 H 0.745 2.730 -2.981 1.00 . A A . 49 PHE HE2 1 1 4 2933 1 1 49 PHE HZ H 2.050 0.666 -2.775 1.00 . A A . 49 PHE HZ 1 1 4 2934 1 1 49 PHE N N -4.151 1.032 -5.748 1.00 . A A . 49 PHE N 1 1 4 2935 1 1 49 PHE O O -5.920 -0.823 -4.528 1.00 . A A . 49 PHE O 1 1 4 2936 1 1 50 GLU C C -4.605 -4.766 -4.392 1.00 . A A . 50 GLU C 1 1 4 2937 1 1 50 GLU CA C -5.322 -3.512 -4.897 1.00 . A A . 50 GLU CA 1 1 4 2938 1 1 50 GLU CB C -6.025 -3.781 -6.229 1.00 . A A . 50 GLU CB 1 1 4 2939 1 1 50 GLU CD C -7.869 -5.227 -7.160 1.00 . A A . 50 GLU CD 1 1 4 2940 1 1 50 GLU CG C -6.639 -5.182 -6.251 1.00 . A A . 50 GLU CG 1 1 4 2941 1 1 50 GLU H H -3.449 -2.673 -5.253 1.00 . A A . 50 GLU H 1 1 4 2942 1 1 50 GLU HA H -6.059 -3.187 -4.163 1.00 . A A . 50 GLU HA 1 1 4 2943 1 1 50 GLU HB2 H -6.803 -3.036 -6.390 1.00 . A A . 50 GLU HB2 1 1 4 2944 1 1 50 GLU HB3 H -5.312 -3.680 -7.047 1.00 . A A . 50 GLU HB3 1 1 4 2945 1 1 50 GLU HE2 H -8.325 -6.857 -6.336 1.00 . A A . 50 GLU HE2 1 1 4 2946 1 1 50 GLU HG2 H -5.899 -5.903 -6.600 1.00 . A A . 50 GLU HG2 1 1 4 2947 1 1 50 GLU HG3 H -6.919 -5.477 -5.240 1.00 . A A . 50 GLU HG3 1 1 4 2948 1 1 50 GLU N N -4.384 -2.409 -5.016 1.00 . A A . 50 GLU N 1 1 4 2949 1 1 50 GLU O O -3.460 -5.022 -4.761 1.00 . A A . 50 GLU O 1 1 4 2950 1 1 50 GLU OE1 O -8.204 -4.219 -7.800 1.00 . A A . 50 GLU OE1 1 1 4 2951 1 1 50 GLU OE2 O -8.486 -6.360 -7.188 1.00 . A A . 50 GLU OE2 1 1 4 2952 1 1 51 ALA C C -4.480 -7.731 -4.126 1.00 . A A . 51 ALA C 1 1 4 2953 1 1 51 ALA CA C -4.754 -6.736 -2.996 1.00 . A A . 51 ALA CA 1 1 4 2954 1 1 51 ALA CB C -5.712 -7.297 -1.944 1.00 . A A . 51 ALA CB 1 1 4 2955 1 1 51 ALA H H -6.239 -5.300 -3.260 1.00 . A A . 51 ALA H 1 1 4 2956 1 1 51 ALA HA H -3.811 -6.481 -2.512 1.00 . A A . 51 ALA HA 1 1 4 2957 1 1 51 ALA HB1 H -6.612 -7.669 -2.434 1.00 . A A . 51 ALA HB1 1 1 4 2958 1 1 51 ALA HB2 H -5.226 -8.113 -1.409 1.00 . A A . 51 ALA HB2 1 1 4 2959 1 1 51 ALA HB3 H -5.980 -6.510 -1.240 1.00 . A A . 51 ALA HB3 1 1 4 2960 1 1 51 ALA N N -5.308 -5.515 -3.555 1.00 . A A . 51 ALA N 1 1 4 2961 1 1 51 ALA O O -5.394 -8.117 -4.852 1.00 . A A . 51 ALA O 1 1 4 2962 1 1 52 ALA C C -1.494 -9.720 -4.858 1.00 . A A . 52 ALA C 1 1 4 2963 1 1 52 ALA CA C -2.812 -9.060 -5.267 1.00 . A A . 52 ALA CA 1 1 4 2964 1 1 52 ALA CB C -2.709 -8.336 -6.611 1.00 . A A . 52 ALA CB 1 1 4 2965 1 1 52 ALA H H -2.480 -7.798 -3.643 1.00 . A A . 52 ALA H 1 1 4 2966 1 1 52 ALA HA H -3.585 -9.825 -5.339 1.00 . A A . 52 ALA HA 1 1 4 2967 1 1 52 ALA HB1 H -1.955 -7.552 -6.545 1.00 . A A . 52 ALA HB1 1 1 4 2968 1 1 52 ALA HB2 H -2.426 -9.048 -7.387 1.00 . A A . 52 ALA HB2 1 1 4 2969 1 1 52 ALA HB3 H -3.673 -7.892 -6.860 1.00 . A A . 52 ALA HB3 1 1 4 2970 1 1 52 ALA N N -3.218 -8.117 -4.238 1.00 . A A . 52 ALA N 1 1 4 2971 1 1 52 ALA O O -0.772 -10.248 -5.702 1.00 . A A . 52 ALA O 1 1 4 2972 2 2 1 NI NI NI 3.646 2.967 -7.375 1.00 . B A . 53 NI NI 1 1 5 2973 1 1 1 MET C C -4.782 -10.658 1.661 1.00 . A A . 1 MET C 1 1 5 2974 1 1 1 MET CA C -5.297 -12.092 1.525 1.00 . A A . 1 MET CA 1 1 5 2975 1 1 1 MET CB C -4.126 -13.027 1.213 1.00 . A A . 1 MET CB 1 1 5 2976 1 1 1 MET CE C -3.244 -16.785 2.605 1.00 . A A . 1 MET CE 1 1 5 2977 1 1 1 MET CG C -4.355 -14.413 1.820 1.00 . A A . 1 MET CG 1 1 5 2978 1 1 1 MET H1 H -6.197 -11.518 -0.263 1.00 . A A . 1 MET H1 1 1 5 2979 1 1 1 MET HA H -5.809 -12.390 2.440 1.00 . A A . 1 MET HA 1 1 5 2980 1 1 1 MET HB2 H -4.005 -13.115 0.133 1.00 . A A . 1 MET HB2 1 1 5 2981 1 1 1 MET HB3 H -3.202 -12.602 1.604 1.00 . A A . 1 MET HB3 1 1 5 2982 1 1 1 MET HE1 H -4.264 -16.740 2.985 1.00 . A A . 1 MET HE1 1 1 5 2983 1 1 1 MET HE2 H -3.072 -17.757 2.141 1.00 . A A . 1 MET HE2 1 1 5 2984 1 1 1 MET HE3 H -2.542 -16.647 3.428 1.00 . A A . 1 MET HE3 1 1 5 2985 1 1 1 MET HG2 H -4.441 -14.335 2.904 1.00 . A A . 1 MET HG2 1 1 5 2986 1 1 1 MET HG3 H -5.294 -14.829 1.455 1.00 . A A . 1 MET HG3 1 1 5 2987 1 1 1 MET N N -6.291 -12.191 0.470 1.00 . A A . 1 MET N 1 1 5 2988 1 1 1 MET O O -5.109 -9.797 0.845 1.00 . A A . 1 MET O 1 1 5 2989 1 1 1 MET SD S -3.002 -15.497 1.394 1.00 . A A . 1 MET SD 1 1 5 2990 1 1 2 LYS C C -2.260 -8.883 1.988 1.00 . A A . 2 LYS C 1 1 5 2991 1 1 2 LYS CA C -3.423 -9.129 2.952 1.00 . A A . 2 LYS CA 1 1 5 2992 1 1 2 LYS CB C -3.041 -8.985 4.426 1.00 . A A . 2 LYS CB 1 1 5 2993 1 1 2 LYS CD C -4.468 -6.963 4.914 1.00 . A A . 2 LYS CD 1 1 5 2994 1 1 2 LYS CE C -5.900 -6.754 4.420 1.00 . A A . 2 LYS CE 1 1 5 2995 1 1 2 LYS CG C -4.211 -8.435 5.244 1.00 . A A . 2 LYS CG 1 1 5 2996 1 1 2 LYS H H -3.725 -11.150 3.357 1.00 . A A . 2 LYS H 1 1 5 2997 1 1 2 LYS HA H -4.202 -8.395 2.747 1.00 . A A . 2 LYS HA 1 1 5 2998 1 1 2 LYS HB2 H -2.738 -9.953 4.824 1.00 . A A . 2 LYS HB2 1 1 5 2999 1 1 2 LYS HB3 H -2.183 -8.319 4.520 1.00 . A A . 2 LYS HB3 1 1 5 3000 1 1 2 LYS HD2 H -4.291 -6.352 5.799 1.00 . A A . 2 LYS HD2 1 1 5 3001 1 1 2 LYS HD3 H -3.764 -6.630 4.151 1.00 . A A . 2 LYS HD3 1 1 5 3002 1 1 2 LYS HE2 H -6.525 -7.591 4.731 1.00 . A A . 2 LYS HE2 1 1 5 3003 1 1 2 LYS HE3 H -6.321 -5.857 4.875 1.00 . A A . 2 LYS HE3 1 1 5 3004 1 1 2 LYS HG2 H -5.109 -9.019 5.040 1.00 . A A . 2 LYS HG2 1 1 5 3005 1 1 2 LYS HG3 H -3.998 -8.541 6.308 1.00 . A A . 2 LYS HG3 1 1 5 3006 1 1 2 LYS HZ1 H -5.010 -6.425 2.565 1.00 . A A . 2 LYS HZ1 1 1 5 3007 1 1 2 LYS HZ3 H -6.544 -5.883 2.639 1.00 . A A . 2 LYS HZ3 1 1 5 3008 1 1 2 LYS N N -3.986 -10.445 2.698 1.00 . A A . 2 LYS N 1 1 5 3009 1 1 2 LYS NZ N -5.927 -6.628 2.946 1.00 . A A . 2 LYS NZ 1 1 5 3010 1 1 2 LYS O O -2.055 -9.649 1.048 1.00 . A A . 2 LYS O 1 1 5 3011 1 1 3 LYS C C -0.892 -6.999 0.052 1.00 . A A . 3 LYS C 1 1 5 3012 1 1 3 LYS CA C -0.392 -7.453 1.424 1.00 . A A . 3 LYS CA 1 1 5 3013 1 1 3 LYS CB C 0.610 -8.608 1.362 1.00 . A A . 3 LYS CB 1 1 5 3014 1 1 3 LYS CD C 2.467 -8.172 3.012 1.00 . A A . 3 LYS CD 1 1 5 3015 1 1 3 LYS CE C 3.621 -8.777 2.211 1.00 . A A . 3 LYS CE 1 1 5 3016 1 1 3 LYS CG C 1.163 -8.929 2.752 1.00 . A A . 3 LYS CG 1 1 5 3017 1 1 3 LYS H H -1.703 -7.192 3.023 1.00 . A A . 3 LYS H 1 1 5 3018 1 1 3 LYS HA H 0.112 -6.614 1.904 1.00 . A A . 3 LYS HA 1 1 5 3019 1 1 3 LYS HB2 H 0.127 -9.492 0.946 1.00 . A A . 3 LYS HB2 1 1 5 3020 1 1 3 LYS HB3 H 1.429 -8.348 0.692 1.00 . A A . 3 LYS HB3 1 1 5 3021 1 1 3 LYS HD2 H 2.342 -7.123 2.743 1.00 . A A . 3 LYS HD2 1 1 5 3022 1 1 3 LYS HD3 H 2.703 -8.202 4.076 1.00 . A A . 3 LYS HD3 1 1 5 3023 1 1 3 LYS HE2 H 3.968 -9.690 2.694 1.00 . A A . 3 LYS HE2 1 1 5 3024 1 1 3 LYS HE3 H 3.274 -9.055 1.216 1.00 . A A . 3 LYS HE3 1 1 5 3025 1 1 3 LYS HG2 H 0.427 -8.664 3.511 1.00 . A A . 3 LYS HG2 1 1 5 3026 1 1 3 LYS HG3 H 1.338 -10.002 2.839 1.00 . A A . 3 LYS HG3 1 1 5 3027 1 1 3 LYS HZ1 H 5.549 -8.108 2.633 1.00 . A A . 3 LYS HZ1 1 1 5 3028 1 1 3 LYS HZ3 H 4.481 -6.893 2.445 1.00 . A A . 3 LYS HZ3 1 1 5 3029 1 1 3 LYS N N -1.529 -7.811 2.256 1.00 . A A . 3 LYS N 1 1 5 3030 1 1 3 LYS NZ N 4.738 -7.812 2.102 1.00 . A A . 3 LYS NZ 1 1 5 3031 1 1 3 LYS O O -1.487 -7.782 -0.687 1.00 . A A . 3 LYS O 1 1 5 3032 1 1 4 TYR C C 0.162 -4.730 -2.347 1.00 . A A . 4 TYR C 1 1 5 3033 1 1 4 TYR CA C -1.049 -5.167 -1.519 1.00 . A A . 4 TYR CA 1 1 5 3034 1 1 4 TYR CB C -1.887 -3.934 -1.175 1.00 . A A . 4 TYR CB 1 1 5 3035 1 1 4 TYR CD1 C -1.595 -3.585 1.304 1.00 . A A . 4 TYR CD1 1 1 5 3036 1 1 4 TYR CD2 C -3.742 -4.264 0.501 1.00 . A A . 4 TYR CD2 1 1 5 3037 1 1 4 TYR CE1 C -2.101 -3.578 2.652 1.00 . A A . 4 TYR CE1 1 1 5 3038 1 1 4 TYR CE2 C -4.248 -4.257 1.849 1.00 . A A . 4 TYR CE2 1 1 5 3039 1 1 4 TYR CG C -2.425 -3.927 0.257 1.00 . A A . 4 TYR CG 1 1 5 3040 1 1 4 TYR CZ C -3.403 -3.915 2.858 1.00 . A A . 4 TYR CZ 1 1 5 3041 1 1 4 TYR H H -0.148 -5.104 0.358 1.00 . A A . 4 TYR H 1 1 5 3042 1 1 4 TYR HA H -1.597 -5.933 -2.067 1.00 . A A . 4 TYR HA 1 1 5 3043 1 1 4 TYR HB2 H -1.282 -3.041 -1.329 1.00 . A A . 4 TYR HB2 1 1 5 3044 1 1 4 TYR HB3 H -2.727 -3.874 -1.868 1.00 . A A . 4 TYR HB3 1 1 5 3045 1 1 4 TYR HD1 H -0.556 -3.319 1.111 1.00 . A A . 4 TYR HD1 1 1 5 3046 1 1 4 TYR HD2 H -4.398 -4.534 -0.326 1.00 . A A . 4 TYR HD2 1 1 5 3047 1 1 4 TYR HE1 H -1.456 -3.310 3.489 1.00 . A A . 4 TYR HE1 1 1 5 3048 1 1 4 TYR HE2 H -5.285 -4.521 2.056 1.00 . A A . 4 TYR HE2 1 1 5 3049 1 1 4 TYR HH H -3.533 -3.111 4.624 1.00 . A A . 4 TYR HH 1 1 5 3050 1 1 4 TYR N N -0.632 -5.735 -0.248 1.00 . A A . 4 TYR N 1 1 5 3051 1 1 4 TYR O O 1.302 -5.017 -1.986 1.00 . A A . 4 TYR O 1 1 5 3052 1 1 4 TYR OH O -3.881 -3.909 4.131 1.00 . A A . 4 TYR OH 1 1 5 3053 1 1 5 VAL C C 0.459 -2.279 -5.013 1.00 . A A . 5 VAL C 1 1 5 3054 1 1 5 VAL CA C 0.922 -3.565 -4.326 1.00 . A A . 5 VAL CA 1 1 5 3055 1 1 5 VAL CB C 1.315 -4.664 -5.316 1.00 . A A . 5 VAL CB 1 1 5 3056 1 1 5 VAL CG1 C 2.349 -4.152 -6.321 1.00 . A A . 5 VAL CG1 1 1 5 3057 1 1 5 VAL CG2 C 1.831 -5.904 -4.583 1.00 . A A . 5 VAL CG2 1 1 5 3058 1 1 5 VAL H H -1.058 -3.815 -3.730 1.00 . A A . 5 VAL H 1 1 5 3059 1 1 5 VAL HA H 1.793 -3.340 -3.709 1.00 . A A . 5 VAL HA 1 1 5 3060 1 1 5 VAL HB H 0.422 -4.950 -5.870 1.00 . A A . 5 VAL HB 1 1 5 3061 1 1 5 VAL HG11 H 1.969 -4.289 -7.334 1.00 . A A . 5 VAL HG11 1 1 5 3062 1 1 5 VAL HG12 H 2.535 -3.093 -6.143 1.00 . A A . 5 VAL HG12 1 1 5 3063 1 1 5 VAL HG13 H 3.278 -4.709 -6.203 1.00 . A A . 5 VAL HG13 1 1 5 3064 1 1 5 VAL HG21 H 0.991 -6.437 -4.136 1.00 . A A . 5 VAL HG21 1 1 5 3065 1 1 5 VAL HG22 H 2.342 -6.557 -5.289 1.00 . A A . 5 VAL HG22 1 1 5 3066 1 1 5 VAL HG23 H 2.526 -5.600 -3.800 1.00 . A A . 5 VAL HG23 1 1 5 3067 1 1 5 VAL N N -0.128 -4.044 -3.443 1.00 . A A . 5 VAL N 1 1 5 3068 1 1 5 VAL O O -0.719 -2.135 -5.338 1.00 . A A . 5 VAL O 1 1 5 3069 1 1 6 CYS C C 0.156 -0.372 -7.021 1.00 . A A . 6 CYS C 1 1 5 3070 1 1 6 CYS CA C 1.112 -0.109 -5.856 1.00 . A A . 6 CYS CA 1 1 5 3071 1 1 6 CYS CB C 2.386 0.605 -6.313 1.00 . A A . 6 CYS CB 1 1 5 3072 1 1 6 CYS H H 2.364 -1.503 -4.946 1.00 . A A . 6 CYS H 1 1 5 3073 1 1 6 CYS HA H 0.640 0.521 -5.102 1.00 . A A . 6 CYS HA 1 1 5 3074 1 1 6 CYS HB2 H 2.853 1.075 -5.447 1.00 . A A . 6 CYS HB2 1 1 5 3075 1 1 6 CYS HB3 H 3.088 -0.139 -6.689 1.00 . A A . 6 CYS HB3 1 1 5 3076 1 1 6 CYS N N 1.409 -1.378 -5.214 1.00 . A A . 6 CYS N 1 1 5 3077 1 1 6 CYS O O -0.824 0.349 -7.200 1.00 . A A . 6 CYS O 1 1 5 3078 1 1 6 CYS SG S 2.132 1.877 -7.604 1.00 . A A . 6 CYS SG 1 1 5 3079 1 1 7 THR C C -0.196 -0.738 -10.044 1.00 . A A . 7 THR C 1 1 5 3080 1 1 7 THR CA C -0.343 -1.775 -8.927 1.00 . A A . 7 THR CA 1 1 5 3081 1 1 7 THR CB C -1.784 -1.945 -8.442 1.00 . A A . 7 THR CB 1 1 5 3082 1 1 7 THR CG2 C -2.665 -2.666 -9.465 1.00 . A A . 7 THR CG2 1 1 5 3083 1 1 7 THR H H 1.274 -1.989 -7.632 1.00 . A A . 7 THR H 1 1 5 3084 1 1 7 THR HA H 0.023 -2.723 -9.321 1.00 . A A . 7 THR HA 1 1 5 3085 1 1 7 THR HB H -2.217 -0.984 -8.164 1.00 . A A . 7 THR HB 1 1 5 3086 1 1 7 THR HG1 H -1.487 -2.378 -6.511 1.00 . A A . 7 THR HG1 1 1 5 3087 1 1 7 THR HG21 H -3.310 -1.942 -9.963 1.00 . A A . 7 THR HG21 1 1 5 3088 1 1 7 THR HG22 H -2.034 -3.160 -10.204 1.00 . A A . 7 THR HG22 1 1 5 3089 1 1 7 THR HG23 H -3.279 -3.409 -8.955 1.00 . A A . 7 THR HG23 1 1 5 3090 1 1 7 THR N N 0.475 -1.407 -7.784 1.00 . A A . 7 THR N 1 1 5 3091 1 1 7 THR O O -1.107 -0.556 -10.850 1.00 . A A . 7 THR O 1 1 5 3092 1 1 7 THR OG1 O -1.680 -2.868 -7.362 1.00 . A A . 7 THR OG1 1 1 5 3093 1 1 8 VAL C C 2.711 0.854 -11.454 1.00 . A A . 8 VAL C 1 1 5 3094 1 1 8 VAL CA C 1.235 0.926 -11.058 1.00 . A A . 8 VAL CA 1 1 5 3095 1 1 8 VAL CB C 0.823 2.305 -10.538 1.00 . A A . 8 VAL CB 1 1 5 3096 1 1 8 VAL CG1 C 0.592 3.280 -11.694 1.00 . A A . 8 VAL CG1 1 1 5 3097 1 1 8 VAL CG2 C -0.417 2.207 -9.647 1.00 . A A . 8 VAL CG2 1 1 5 3098 1 1 8 VAL H H 1.693 -0.241 -9.394 1.00 . A A . 8 VAL H 1 1 5 3099 1 1 8 VAL HA H 0.626 0.699 -11.932 1.00 . A A . 8 VAL HA 1 1 5 3100 1 1 8 VAL HB H 1.641 2.693 -9.931 1.00 . A A . 8 VAL HB 1 1 5 3101 1 1 8 VAL HG11 H -0.470 3.514 -11.765 1.00 . A A . 8 VAL HG11 1 1 5 3102 1 1 8 VAL HG12 H 1.154 4.196 -11.515 1.00 . A A . 8 VAL HG12 1 1 5 3103 1 1 8 VAL HG13 H 0.926 2.825 -12.626 1.00 . A A . 8 VAL HG13 1 1 5 3104 1 1 8 VAL HG21 H -1.153 1.555 -10.119 1.00 . A A . 8 VAL HG21 1 1 5 3105 1 1 8 VAL HG22 H -0.136 1.795 -8.678 1.00 . A A . 8 VAL HG22 1 1 5 3106 1 1 8 VAL HG23 H -0.846 3.200 -9.510 1.00 . A A . 8 VAL HG23 1 1 5 3107 1 1 8 VAL N N 0.957 -0.087 -10.054 1.00 . A A . 8 VAL N 1 1 5 3108 1 1 8 VAL O O 3.042 0.889 -12.638 1.00 . A A . 8 VAL O 1 1 5 3109 1 1 9 CYS C C 5.514 -0.604 -10.012 1.00 . A A . 9 CYS C 1 1 5 3110 1 1 9 CYS CA C 4.992 0.676 -10.669 1.00 . A A . 9 CYS CA 1 1 5 3111 1 1 9 CYS CB C 5.716 1.920 -10.149 1.00 . A A . 9 CYS CB 1 1 5 3112 1 1 9 CYS H H 3.282 0.726 -9.480 1.00 . A A . 9 CYS H 1 1 5 3113 1 1 9 CYS HA H 5.136 0.644 -11.749 1.00 . A A . 9 CYS HA 1 1 5 3114 1 1 9 CYS HB2 H 6.657 2.027 -10.689 1.00 . A A . 9 CYS HB2 1 1 5 3115 1 1 9 CYS HB3 H 5.113 2.798 -10.382 1.00 . A A . 9 CYS HB3 1 1 5 3116 1 1 9 CYS N N 3.559 0.754 -10.441 1.00 . A A . 9 CYS N 1 1 5 3117 1 1 9 CYS O O 6.225 -1.384 -10.644 1.00 . A A . 9 CYS O 1 1 5 3118 1 1 9 CYS SG S 6.067 1.910 -8.353 1.00 . A A . 9 CYS SG 1 1 5 3119 1 1 10 GLY C C 6.061 -1.561 -6.611 1.00 . A A . 10 GLY C 1 1 5 3120 1 1 10 GLY CA C 5.563 -1.951 -8.004 1.00 . A A . 10 GLY CA 1 1 5 3121 1 1 10 GLY H H 4.563 -0.140 -8.247 1.00 . A A . 10 GLY H 1 1 5 3122 1 1 10 GLY HA2 H 4.731 -2.649 -7.915 1.00 . A A . 10 GLY HA2 1 1 5 3123 1 1 10 GLY HA3 H 6.355 -2.467 -8.546 1.00 . A A . 10 GLY HA3 1 1 5 3124 1 1 10 GLY N N 5.141 -0.779 -8.753 1.00 . A A . 10 GLY N 1 1 5 3125 1 1 10 GLY O O 7.152 -1.012 -6.469 1.00 . A A . 10 GLY O 1 1 5 3126 1 1 11 TYR C C 4.602 -2.213 -3.269 1.00 . A A . 11 TYR C 1 1 5 3127 1 1 11 TYR CA C 5.579 -1.549 -4.241 1.00 . A A . 11 TYR CA 1 1 5 3128 1 1 11 TYR CB C 5.457 -0.030 -4.110 1.00 . A A . 11 TYR CB 1 1 5 3129 1 1 11 TYR CD1 C 7.338 0.334 -2.470 1.00 . A A . 11 TYR CD1 1 1 5 3130 1 1 11 TYR CD2 C 5.184 1.226 -1.940 1.00 . A A . 11 TYR CD2 1 1 5 3131 1 1 11 TYR CE1 C 7.859 0.859 -1.235 1.00 . A A . 11 TYR CE1 1 1 5 3132 1 1 11 TYR CE2 C 5.705 1.751 -0.705 1.00 . A A . 11 TYR CE2 1 1 5 3133 1 1 11 TYR CG C 6.011 0.528 -2.797 1.00 . A A . 11 TYR CG 1 1 5 3134 1 1 11 TYR CZ C 7.017 1.541 -0.413 1.00 . A A . 11 TYR CZ 1 1 5 3135 1 1 11 TYR H H 4.351 -2.308 -5.742 1.00 . A A . 11 TYR H 1 1 5 3136 1 1 11 TYR HA H 6.583 -1.928 -4.050 1.00 . A A . 11 TYR HA 1 1 5 3137 1 1 11 TYR HB2 H 5.982 0.440 -4.942 1.00 . A A . 11 TYR HB2 1 1 5 3138 1 1 11 TYR HB3 H 4.407 0.249 -4.197 1.00 . A A . 11 TYR HB3 1 1 5 3139 1 1 11 TYR HD1 H 7.991 -0.217 -3.147 1.00 . A A . 11 TYR HD1 1 1 5 3140 1 1 11 TYR HD2 H 4.136 1.379 -2.199 1.00 . A A . 11 TYR HD2 1 1 5 3141 1 1 11 TYR HE1 H 8.905 0.713 -0.964 1.00 . A A . 11 TYR HE1 1 1 5 3142 1 1 11 TYR HE2 H 5.063 2.303 -0.019 1.00 . A A . 11 TYR HE2 1 1 5 3143 1 1 11 TYR HH H 7.275 3.005 0.840 1.00 . A A . 11 TYR HH 1 1 5 3144 1 1 11 TYR N N 5.236 -1.861 -5.618 1.00 . A A . 11 TYR N 1 1 5 3145 1 1 11 TYR O O 3.468 -1.761 -3.117 1.00 . A A . 11 TYR O 1 1 5 3146 1 1 11 TYR OH O 7.509 2.037 0.754 1.00 . A A . 11 TYR OH 1 1 5 3147 1 1 12 GLU C C 4.292 -3.315 -0.316 1.00 . A A . 12 GLU C 1 1 5 3148 1 1 12 GLU CA C 4.260 -4.005 -1.681 1.00 . A A . 12 GLU CA 1 1 5 3149 1 1 12 GLU CB C 4.716 -5.462 -1.570 1.00 . A A . 12 GLU CB 1 1 5 3150 1 1 12 GLU CD C 7.004 -6.490 -1.824 1.00 . A A . 12 GLU CD 1 1 5 3151 1 1 12 GLU CG C 6.129 -5.551 -0.991 1.00 . A A . 12 GLU CG 1 1 5 3152 1 1 12 GLU H H 6.001 -3.636 -2.763 1.00 . A A . 12 GLU H 1 1 5 3153 1 1 12 GLU HA H 3.248 -3.978 -2.086 1.00 . A A . 12 GLU HA 1 1 5 3154 1 1 12 GLU HB2 H 4.023 -6.016 -0.937 1.00 . A A . 12 GLU HB2 1 1 5 3155 1 1 12 GLU HB3 H 4.692 -5.930 -2.554 1.00 . A A . 12 GLU HB3 1 1 5 3156 1 1 12 GLU HE2 H 8.170 -7.798 -1.133 1.00 . A A . 12 GLU HE2 1 1 5 3157 1 1 12 GLU HG2 H 6.578 -4.558 -0.964 1.00 . A A . 12 GLU HG2 1 1 5 3158 1 1 12 GLU HG3 H 6.082 -5.908 0.038 1.00 . A A . 12 GLU HG3 1 1 5 3159 1 1 12 GLU N N 5.077 -3.275 -2.635 1.00 . A A . 12 GLU N 1 1 5 3160 1 1 12 GLU O O 5.349 -3.201 0.301 1.00 . A A . 12 GLU O 1 1 5 3161 1 1 12 GLU OE1 O 7.470 -6.106 -2.907 1.00 . A A . 12 GLU OE1 1 1 5 3162 1 1 12 GLU OE2 O 7.196 -7.657 -1.308 1.00 . A A . 12 GLU OE2 1 1 5 3163 1 1 13 TYR C C 2.604 -3.181 2.500 1.00 . A A . 13 TYR C 1 1 5 3164 1 1 13 TYR CA C 3.000 -2.198 1.396 1.00 . A A . 13 TYR CA 1 1 5 3165 1 1 13 TYR CB C 1.884 -1.165 1.226 1.00 . A A . 13 TYR CB 1 1 5 3166 1 1 13 TYR CD1 C 2.023 0.143 3.376 1.00 . A A . 13 TYR CD1 1 1 5 3167 1 1 13 TYR CD2 C 0.004 -1.046 2.902 1.00 . A A . 13 TYR CD2 1 1 5 3168 1 1 13 TYR CE1 C 1.458 0.606 4.618 1.00 . A A . 13 TYR CE1 1 1 5 3169 1 1 13 TYR CE2 C -0.560 -0.584 4.143 1.00 . A A . 13 TYR CE2 1 1 5 3170 1 1 13 TYR CG C 1.284 -0.673 2.544 1.00 . A A . 13 TYR CG 1 1 5 3171 1 1 13 TYR CZ C 0.195 0.220 4.940 1.00 . A A . 13 TYR CZ 1 1 5 3172 1 1 13 TYR H H 2.264 -2.970 -0.393 1.00 . A A . 13 TYR H 1 1 5 3173 1 1 13 TYR HA H 3.969 -1.762 1.638 1.00 . A A . 13 TYR HA 1 1 5 3174 1 1 13 TYR HB2 H 2.276 -0.309 0.675 1.00 . A A . 13 TYR HB2 1 1 5 3175 1 1 13 TYR HB3 H 1.091 -1.599 0.617 1.00 . A A . 13 TYR HB3 1 1 5 3176 1 1 13 TYR HD1 H 3.033 0.438 3.094 1.00 . A A . 13 TYR HD1 1 1 5 3177 1 1 13 TYR HD2 H -0.579 -1.691 2.245 1.00 . A A . 13 TYR HD2 1 1 5 3178 1 1 13 TYR HE1 H 2.031 1.252 5.284 1.00 . A A . 13 TYR HE1 1 1 5 3179 1 1 13 TYR HE2 H -1.569 -0.871 4.438 1.00 . A A . 13 TYR HE2 1 1 5 3180 1 1 13 TYR HH H -0.240 -0.047 6.816 1.00 . A A . 13 TYR HH 1 1 5 3181 1 1 13 TYR N N 3.119 -2.873 0.115 1.00 . A A . 13 TYR N 1 1 5 3182 1 1 13 TYR O O 1.687 -3.981 2.324 1.00 . A A . 13 TYR O 1 1 5 3183 1 1 13 TYR OH O -0.338 0.657 6.112 1.00 . A A . 13 TYR OH 1 1 5 3184 1 1 14 ASP C C 2.162 -3.225 5.752 1.00 . A A . 14 ASP C 1 1 5 3185 1 1 14 ASP CA C 3.051 -3.959 4.746 1.00 . A A . 14 ASP CA 1 1 5 3186 1 1 14 ASP CB C 4.348 -4.348 5.457 1.00 . A A . 14 ASP CB 1 1 5 3187 1 1 14 ASP CG C 4.868 -5.750 5.133 1.00 . A A . 14 ASP CG 1 1 5 3188 1 1 14 ASP H H 4.061 -2.434 3.749 1.00 . A A . 14 ASP H 1 1 5 3189 1 1 14 ASP HA H 2.564 -4.838 4.323 1.00 . A A . 14 ASP HA 1 1 5 3190 1 1 14 ASP HB2 H 5.119 -3.623 5.198 1.00 . A A . 14 ASP HB2 1 1 5 3191 1 1 14 ASP HB3 H 4.191 -4.275 6.533 1.00 . A A . 14 ASP HB3 1 1 5 3192 1 1 14 ASP HD2 H 5.331 -6.349 6.858 1.00 . A A . 14 ASP HD2 1 1 5 3193 1 1 14 ASP N N 3.316 -3.088 3.614 1.00 . A A . 14 ASP N 1 1 5 3194 1 1 14 ASP O O 2.589 -2.248 6.365 1.00 . A A . 14 ASP O 1 1 5 3195 1 1 14 ASP OD1 O 5.361 -6.009 4.025 1.00 . A A . 14 ASP OD1 1 1 5 3196 1 1 14 ASP OD2 O 4.749 -6.610 6.088 1.00 . A A . 14 ASP OD2 1 1 5 3197 1 1 15 PRO C C 0.302 -3.491 8.263 1.00 . A A . 15 PRO C 1 1 5 3198 1 1 15 PRO CA C -0.042 -3.140 6.814 1.00 . A A . 15 PRO CA 1 1 5 3199 1 1 15 PRO CB C -1.397 -3.674 6.380 1.00 . A A . 15 PRO CB 1 1 5 3200 1 1 15 PRO CD C 0.370 -4.892 5.183 1.00 . A A . 15 PRO CD 1 1 5 3201 1 1 15 PRO CG C -1.109 -4.905 5.535 1.00 . A A . 15 PRO CG 1 1 5 3202 1 1 15 PRO HA H -0.002 -2.142 6.758 1.00 . A A . 15 PRO HA 1 1 5 3203 1 1 15 PRO HB2 H -2.012 -3.929 7.244 1.00 . A A . 15 PRO HB2 1 1 5 3204 1 1 15 PRO HB3 H -1.947 -2.927 5.807 1.00 . A A . 15 PRO HB3 1 1 5 3205 1 1 15 PRO HD2 H 0.859 -5.814 5.497 1.00 . A A . 15 PRO HD2 1 1 5 3206 1 1 15 PRO HD3 H 0.520 -4.802 4.108 1.00 . A A . 15 PRO HD3 1 1 5 3207 1 1 15 PRO HG2 H -1.363 -5.812 6.083 1.00 . A A . 15 PRO HG2 1 1 5 3208 1 1 15 PRO HG3 H -1.717 -4.897 4.630 1.00 . A A . 15 PRO HG3 1 1 5 3209 1 1 15 PRO N N 0.910 -3.736 5.893 1.00 . A A . 15 PRO N 1 1 5 3210 1 1 15 PRO O O 0.065 -2.696 9.171 1.00 . A A . 15 PRO O 1 1 5 3211 1 1 16 ALA C C 2.480 -4.388 10.223 1.00 . A A . 16 ALA C 1 1 5 3212 1 1 16 ALA CA C 1.237 -5.147 9.757 1.00 . A A . 16 ALA CA 1 1 5 3213 1 1 16 ALA CB C 1.457 -6.661 9.722 1.00 . A A . 16 ALA CB 1 1 5 3214 1 1 16 ALA H H 1.047 -5.322 7.690 1.00 . A A . 16 ALA H 1 1 5 3215 1 1 16 ALA HA H 0.412 -4.928 10.435 1.00 . A A . 16 ALA HA 1 1 5 3216 1 1 16 ALA HB1 H 1.764 -7.007 10.709 1.00 . A A . 16 ALA HB1 1 1 5 3217 1 1 16 ALA HB2 H 0.530 -7.157 9.435 1.00 . A A . 16 ALA HB2 1 1 5 3218 1 1 16 ALA HB3 H 2.235 -6.898 8.996 1.00 . A A . 16 ALA HB3 1 1 5 3219 1 1 16 ALA N N 0.857 -4.682 8.434 1.00 . A A . 16 ALA N 1 1 5 3220 1 1 16 ALA O O 2.859 -4.466 11.391 1.00 . A A . 16 ALA O 1 1 5 3221 1 1 17 GLU C C 3.940 -1.404 9.641 1.00 . A A . 17 GLU C 1 1 5 3222 1 1 17 GLU CA C 4.275 -2.896 9.586 1.00 . A A . 17 GLU CA 1 1 5 3223 1 1 17 GLU CB C 5.379 -3.173 8.563 1.00 . A A . 17 GLU CB 1 1 5 3224 1 1 17 GLU CD C 7.332 -3.145 10.158 1.00 . A A . 17 GLU CD 1 1 5 3225 1 1 17 GLU CG C 6.678 -2.465 8.954 1.00 . A A . 17 GLU CG 1 1 5 3226 1 1 17 GLU H H 2.767 -3.611 8.338 1.00 . A A . 17 GLU H 1 1 5 3227 1 1 17 GLU HA H 4.602 -3.239 10.567 1.00 . A A . 17 GLU HA 1 1 5 3228 1 1 17 GLU HB2 H 5.553 -4.247 8.493 1.00 . A A . 17 GLU HB2 1 1 5 3229 1 1 17 GLU HB3 H 5.059 -2.836 7.577 1.00 . A A . 17 GLU HB3 1 1 5 3230 1 1 17 GLU HE2 H 7.981 -1.451 10.663 1.00 . A A . 17 GLU HE2 1 1 5 3231 1 1 17 GLU HG2 H 7.367 -2.471 8.110 1.00 . A A . 17 GLU HG2 1 1 5 3232 1 1 17 GLU HG3 H 6.470 -1.421 9.190 1.00 . A A . 17 GLU HG3 1 1 5 3233 1 1 17 GLU N N 3.081 -3.669 9.286 1.00 . A A . 17 GLU N 1 1 5 3234 1 1 17 GLU O O 4.176 -0.749 10.655 1.00 . A A . 17 GLU O 1 1 5 3235 1 1 17 GLU OE1 O 7.026 -4.310 10.455 1.00 . A A . 17 GLU OE1 1 1 5 3236 1 1 17 GLU OE2 O 8.188 -2.420 10.796 1.00 . A A . 17 GLU OE2 1 1 5 3237 1 1 18 GLY C C 3.794 1.189 7.323 1.00 . A A . 18 GLY C 1 1 5 3238 1 1 18 GLY CA C 3.027 0.491 8.448 1.00 . A A . 18 GLY CA 1 1 5 3239 1 1 18 GLY H H 3.207 -1.451 7.718 1.00 . A A . 18 GLY H 1 1 5 3240 1 1 18 GLY HA2 H 1.955 0.578 8.271 1.00 . A A . 18 GLY HA2 1 1 5 3241 1 1 18 GLY HA3 H 3.234 0.987 9.397 1.00 . A A . 18 GLY HA3 1 1 5 3242 1 1 18 GLY N N 3.396 -0.911 8.538 1.00 . A A . 18 GLY N 1 1 5 3243 1 1 18 GLY O O 3.927 0.646 6.228 1.00 . A A . 18 GLY O 1 1 5 3244 1 1 19 ASP C C 5.448 4.490 7.293 1.00 . A A . 19 ASP C 1 1 5 3245 1 1 19 ASP CA C 5.028 3.161 6.661 1.00 . A A . 19 ASP CA 1 1 5 3246 1 1 19 ASP CB C 4.177 3.471 5.429 1.00 . A A . 19 ASP CB 1 1 5 3247 1 1 19 ASP CG C 4.934 3.456 4.099 1.00 . A A . 19 ASP CG 1 1 5 3248 1 1 19 ASP H H 4.166 2.818 8.526 1.00 . A A . 19 ASP H 1 1 5 3249 1 1 19 ASP HA H 5.882 2.538 6.394 1.00 . A A . 19 ASP HA 1 1 5 3250 1 1 19 ASP HB2 H 3.364 2.747 5.375 1.00 . A A . 19 ASP HB2 1 1 5 3251 1 1 19 ASP HB3 H 3.721 4.453 5.559 1.00 . A A . 19 ASP HB3 1 1 5 3252 1 1 19 ASP HD2 H 4.134 3.871 2.446 1.00 . A A . 19 ASP HD2 1 1 5 3253 1 1 19 ASP N N 4.278 2.383 7.633 1.00 . A A . 19 ASP N 1 1 5 3254 1 1 19 ASP O O 4.602 5.270 7.727 1.00 . A A . 19 ASP O 1 1 5 3255 1 1 19 ASP OD1 O 6.134 3.767 4.044 1.00 . A A . 19 ASP OD1 1 1 5 3256 1 1 19 ASP OD2 O 4.233 3.101 3.076 1.00 . A A . 19 ASP OD2 1 1 5 3257 1 1 20 PRO C C 7.122 7.120 6.954 1.00 . A A . 20 PRO C 1 1 5 3258 1 1 20 PRO CA C 7.331 5.933 7.897 1.00 . A A . 20 PRO CA 1 1 5 3259 1 1 20 PRO CB C 8.799 5.630 8.154 1.00 . A A . 20 PRO CB 1 1 5 3260 1 1 20 PRO CD C 7.821 3.811 6.822 1.00 . A A . 20 PRO CD 1 1 5 3261 1 1 20 PRO CG C 9.131 4.421 7.294 1.00 . A A . 20 PRO CG 1 1 5 3262 1 1 20 PRO HA H 6.848 6.166 8.741 1.00 . A A . 20 PRO HA 1 1 5 3263 1 1 20 PRO HB2 H 9.425 6.482 7.890 1.00 . A A . 20 PRO HB2 1 1 5 3264 1 1 20 PRO HB3 H 8.975 5.420 9.209 1.00 . A A . 20 PRO HB3 1 1 5 3265 1 1 20 PRO HD2 H 7.788 3.739 5.735 1.00 . A A . 20 PRO HD2 1 1 5 3266 1 1 20 PRO HD3 H 7.691 2.802 7.212 1.00 . A A . 20 PRO HD3 1 1 5 3267 1 1 20 PRO HG2 H 9.744 4.716 6.443 1.00 . A A . 20 PRO HG2 1 1 5 3268 1 1 20 PRO HG3 H 9.707 3.693 7.866 1.00 . A A . 20 PRO HG3 1 1 5 3269 1 1 20 PRO N N 6.789 4.712 7.326 1.00 . A A . 20 PRO N 1 1 5 3270 1 1 20 PRO O O 6.866 8.236 7.403 1.00 . A A . 20 PRO O 1 1 5 3271 1 1 21 ASP C C 5.879 8.754 5.035 1.00 . A A . 21 ASP C 1 1 5 3272 1 1 21 ASP CA C 7.067 7.868 4.655 1.00 . A A . 21 ASP CA 1 1 5 3273 1 1 21 ASP CB C 6.779 7.253 3.284 1.00 . A A . 21 ASP CB 1 1 5 3274 1 1 21 ASP CG C 7.323 8.044 2.093 1.00 . A A . 21 ASP CG 1 1 5 3275 1 1 21 ASP H H 7.449 5.928 5.309 1.00 . A A . 21 ASP H 1 1 5 3276 1 1 21 ASP HA H 8.009 8.417 4.641 1.00 . A A . 21 ASP HA 1 1 5 3277 1 1 21 ASP HB2 H 7.202 6.249 3.258 1.00 . A A . 21 ASP HB2 1 1 5 3278 1 1 21 ASP HB3 H 5.700 7.148 3.169 1.00 . A A . 21 ASP HB3 1 1 5 3279 1 1 21 ASP HD2 H 5.638 8.863 1.904 1.00 . A A . 21 ASP HD2 1 1 5 3280 1 1 21 ASP N N 7.240 6.838 5.665 1.00 . A A . 21 ASP N 1 1 5 3281 1 1 21 ASP O O 5.997 9.978 5.064 1.00 . A A . 21 ASP O 1 1 5 3282 1 1 21 ASP OD1 O 8.380 7.713 1.535 1.00 . A A . 21 ASP OD1 1 1 5 3283 1 1 21 ASP OD2 O 6.605 9.054 1.736 1.00 . A A . 21 ASP OD2 1 1 5 3284 1 1 22 ASN C C 3.256 8.562 7.171 1.00 . A A . 22 ASN C 1 1 5 3285 1 1 22 ASN CA C 3.552 8.815 5.692 1.00 . A A . 22 ASN CA 1 1 5 3286 1 1 22 ASN CB C 2.350 8.329 4.879 1.00 . A A . 22 ASN CB 1 1 5 3287 1 1 22 ASN CG C 2.306 9.005 3.508 1.00 . A A . 22 ASN CG 1 1 5 3288 1 1 22 ASN H H 4.673 7.106 5.289 1.00 . A A . 22 ASN H 1 1 5 3289 1 1 22 ASN HA H 3.761 9.863 5.481 1.00 . A A . 22 ASN HA 1 1 5 3290 1 1 22 ASN HB2 H 2.405 7.247 4.754 1.00 . A A . 22 ASN HB2 1 1 5 3291 1 1 22 ASN HB3 H 1.430 8.540 5.423 1.00 . A A . 22 ASN HB3 1 1 5 3292 1 1 22 ASN HD21 H 3.882 7.865 2.947 1.00 . A A . 22 ASN HD21 1 1 5 3293 1 1 22 ASN HD22 H 3.288 8.954 1.738 1.00 . A A . 22 ASN HD22 1 1 5 3294 1 1 22 ASN N N 4.761 8.101 5.315 1.00 . A A . 22 ASN N 1 1 5 3295 1 1 22 ASN ND2 N 3.235 8.572 2.661 1.00 . A A . 22 ASN ND2 1 1 5 3296 1 1 22 ASN O O 2.096 8.498 7.574 1.00 . A A . 22 ASN O 1 1 5 3297 1 1 22 ASN OD1 O 1.482 9.863 3.236 1.00 . A A . 22 ASN OD1 1 1 5 3298 1 1 23 GLY C C 3.013 7.255 9.659 1.00 . A A . 23 GLY C 1 1 5 3299 1 1 23 GLY CA C 4.195 8.182 9.368 1.00 . A A . 23 GLY CA 1 1 5 3300 1 1 23 GLY H H 5.267 8.480 7.606 1.00 . A A . 23 GLY H 1 1 5 3301 1 1 23 GLY HA2 H 5.114 7.737 9.750 1.00 . A A . 23 GLY HA2 1 1 5 3302 1 1 23 GLY HA3 H 4.058 9.128 9.891 1.00 . A A . 23 GLY HA3 1 1 5 3303 1 1 23 GLY N N 4.326 8.426 7.941 1.00 . A A . 23 GLY N 1 1 5 3304 1 1 23 GLY O O 1.884 7.715 9.817 1.00 . A A . 23 GLY O 1 1 5 3305 1 1 24 VAL C C 2.812 3.980 11.035 1.00 . A A . 24 VAL C 1 1 5 3306 1 1 24 VAL CA C 2.292 4.971 9.992 1.00 . A A . 24 VAL CA 1 1 5 3307 1 1 24 VAL CB C 1.862 4.295 8.688 1.00 . A A . 24 VAL CB 1 1 5 3308 1 1 24 VAL CG1 C 1.152 2.968 8.966 1.00 . A A . 24 VAL CG1 1 1 5 3309 1 1 24 VAL CG2 C 0.979 5.225 7.853 1.00 . A A . 24 VAL CG2 1 1 5 3310 1 1 24 VAL H H 4.237 5.601 9.592 1.00 . A A . 24 VAL H 1 1 5 3311 1 1 24 VAL HA H 1.427 5.491 10.403 1.00 . A A . 24 VAL HA 1 1 5 3312 1 1 24 VAL HB H 2.761 4.079 8.111 1.00 . A A . 24 VAL HB 1 1 5 3313 1 1 24 VAL HG11 H 0.200 3.162 9.460 1.00 . A A . 24 VAL HG11 1 1 5 3314 1 1 24 VAL HG12 H 0.974 2.447 8.026 1.00 . A A . 24 VAL HG12 1 1 5 3315 1 1 24 VAL HG13 H 1.777 2.350 9.612 1.00 . A A . 24 VAL HG13 1 1 5 3316 1 1 24 VAL HG21 H 0.607 4.687 6.982 1.00 . A A . 24 VAL HG21 1 1 5 3317 1 1 24 VAL HG22 H 0.138 5.566 8.457 1.00 . A A . 24 VAL HG22 1 1 5 3318 1 1 24 VAL HG23 H 1.564 6.085 7.527 1.00 . A A . 24 VAL HG23 1 1 5 3319 1 1 24 VAL N N 3.315 5.966 9.722 1.00 . A A . 24 VAL N 1 1 5 3320 1 1 24 VAL O O 4.021 3.837 11.211 1.00 . A A . 24 VAL O 1 1 5 3321 1 1 25 LYS C C 1.903 0.944 12.212 1.00 . A A . 25 LYS C 1 1 5 3322 1 1 25 LYS CA C 2.223 2.350 12.722 1.00 . A A . 25 LYS CA 1 1 5 3323 1 1 25 LYS CB C 1.538 2.695 14.046 1.00 . A A . 25 LYS CB 1 1 5 3324 1 1 25 LYS CD C -0.700 3.337 15.014 1.00 . A A . 25 LYS CD 1 1 5 3325 1 1 25 LYS CE C -2.021 3.896 14.481 1.00 . A A . 25 LYS CE 1 1 5 3326 1 1 25 LYS CG C 0.022 2.519 13.941 1.00 . A A . 25 LYS CG 1 1 5 3327 1 1 25 LYS H H 0.893 3.446 11.552 1.00 . A A . 25 LYS H 1 1 5 3328 1 1 25 LYS HA H 3.298 2.421 12.887 1.00 . A A . 25 LYS HA 1 1 5 3329 1 1 25 LYS HB2 H 1.928 2.056 14.839 1.00 . A A . 25 LYS HB2 1 1 5 3330 1 1 25 LYS HB3 H 1.771 3.723 14.323 1.00 . A A . 25 LYS HB3 1 1 5 3331 1 1 25 LYS HD2 H -0.892 2.711 15.886 1.00 . A A . 25 LYS HD2 1 1 5 3332 1 1 25 LYS HD3 H -0.061 4.156 15.344 1.00 . A A . 25 LYS HD3 1 1 5 3333 1 1 25 LYS HE2 H -1.823 4.618 13.689 1.00 . A A . 25 LYS HE2 1 1 5 3334 1 1 25 LYS HE3 H -2.611 3.093 14.040 1.00 . A A . 25 LYS HE3 1 1 5 3335 1 1 25 LYS HG2 H -0.316 2.830 12.953 1.00 . A A . 25 LYS HG2 1 1 5 3336 1 1 25 LYS HG3 H -0.234 1.465 14.048 1.00 . A A . 25 LYS HG3 1 1 5 3337 1 1 25 LYS HZ1 H -3.192 5.425 15.277 1.00 . A A . 25 LYS HZ1 1 1 5 3338 1 1 25 LYS HZ3 H -2.207 4.738 16.378 1.00 . A A . 25 LYS HZ3 1 1 5 3339 1 1 25 LYS N N 1.874 3.323 11.701 1.00 . A A . 25 LYS N 1 1 5 3340 1 1 25 LYS NZ N -2.787 4.542 15.570 1.00 . A A . 25 LYS NZ 1 1 5 3341 1 1 25 LYS O O 1.110 0.781 11.285 1.00 . A A . 25 LYS O 1 1 5 3342 1 1 26 PRO C C 0.989 -1.958 12.975 1.00 . A A . 26 PRO C 1 1 5 3343 1 1 26 PRO CA C 2.344 -1.450 12.476 1.00 . A A . 26 PRO CA 1 1 5 3344 1 1 26 PRO CB C 3.519 -2.203 13.079 1.00 . A A . 26 PRO CB 1 1 5 3345 1 1 26 PRO CD C 3.497 0.092 13.957 1.00 . A A . 26 PRO CD 1 1 5 3346 1 1 26 PRO CG C 4.087 -1.295 14.157 1.00 . A A . 26 PRO CG 1 1 5 3347 1 1 26 PRO HA H 2.319 -1.538 11.480 1.00 . A A . 26 PRO HA 1 1 5 3348 1 1 26 PRO HB2 H 3.198 -3.156 13.500 1.00 . A A . 26 PRO HB2 1 1 5 3349 1 1 26 PRO HB3 H 4.270 -2.426 12.321 1.00 . A A . 26 PRO HB3 1 1 5 3350 1 1 26 PRO HD2 H 2.998 0.444 14.860 1.00 . A A . 26 PRO HD2 1 1 5 3351 1 1 26 PRO HD3 H 4.271 0.820 13.716 1.00 . A A . 26 PRO HD3 1 1 5 3352 1 1 26 PRO HG2 H 3.838 -1.676 15.148 1.00 . A A . 26 PRO HG2 1 1 5 3353 1 1 26 PRO HG3 H 5.174 -1.260 14.093 1.00 . A A . 26 PRO HG3 1 1 5 3354 1 1 26 PRO N N 2.552 -0.063 12.855 1.00 . A A . 26 PRO N 1 1 5 3355 1 1 26 PRO O O 0.512 -1.534 14.026 1.00 . A A . 26 PRO O 1 1 5 3356 1 1 27 GLY C C -2.025 -2.613 11.938 1.00 . A A . 27 GLY C 1 1 5 3357 1 1 27 GLY CA C -0.882 -3.429 12.546 1.00 . A A . 27 GLY CA 1 1 5 3358 1 1 27 GLY H H 0.803 -3.199 11.343 1.00 . A A . 27 GLY H 1 1 5 3359 1 1 27 GLY HA2 H -0.937 -4.458 12.192 1.00 . A A . 27 GLY HA2 1 1 5 3360 1 1 27 GLY HA3 H -0.988 -3.459 13.630 1.00 . A A . 27 GLY HA3 1 1 5 3361 1 1 27 GLY N N 0.408 -2.859 12.197 1.00 . A A . 27 GLY N 1 1 5 3362 1 1 27 GLY O O -3.194 -2.871 12.219 1.00 . A A . 27 GLY O 1 1 5 3363 1 1 28 THR C C -3.089 -1.417 9.150 1.00 . A A . 28 THR C 1 1 5 3364 1 1 28 THR CA C -2.625 -0.790 10.466 1.00 . A A . 28 THR CA 1 1 5 3365 1 1 28 THR CB C -2.000 0.596 10.293 1.00 . A A . 28 THR CB 1 1 5 3366 1 1 28 THR CG2 C -2.989 1.616 9.726 1.00 . A A . 28 THR CG2 1 1 5 3367 1 1 28 THR H H -0.693 -1.443 10.893 1.00 . A A . 28 THR H 1 1 5 3368 1 1 28 THR HA H -3.500 -0.717 11.112 1.00 . A A . 28 THR HA 1 1 5 3369 1 1 28 THR HB H -1.100 0.543 9.680 1.00 . A A . 28 THR HB 1 1 5 3370 1 1 28 THR HG1 H -1.540 2.015 11.627 1.00 . A A . 28 THR HG1 1 1 5 3371 1 1 28 THR HG21 H -3.038 1.512 8.642 1.00 . A A . 28 THR HG21 1 1 5 3372 1 1 28 THR HG22 H -3.976 1.442 10.153 1.00 . A A . 28 THR HG22 1 1 5 3373 1 1 28 THR HG23 H -2.657 2.623 9.979 1.00 . A A . 28 THR HG23 1 1 5 3374 1 1 28 THR N N -1.646 -1.646 11.116 1.00 . A A . 28 THR N 1 1 5 3375 1 1 28 THR O O -2.550 -2.434 8.718 1.00 . A A . 28 THR O 1 1 5 3376 1 1 28 THR OG1 O -1.767 1.041 11.626 1.00 . A A . 28 THR OG1 1 1 5 3377 1 1 29 SER C C -4.679 -0.124 6.271 1.00 . A A . 29 SER C 1 1 5 3378 1 1 29 SER CA C -4.628 -1.264 7.290 1.00 . A A . 29 SER CA 1 1 5 3379 1 1 29 SER CB C -6.022 -1.863 7.486 1.00 . A A . 29 SER CB 1 1 5 3380 1 1 29 SER H H -4.518 0.045 8.907 1.00 . A A . 29 SER H 1 1 5 3381 1 1 29 SER HA H -3.942 -2.043 6.959 1.00 . A A . 29 SER HA 1 1 5 3382 1 1 29 SER HB2 H -5.935 -2.937 7.655 1.00 . A A . 29 SER HB2 1 1 5 3383 1 1 29 SER HB3 H -6.479 -1.436 8.379 1.00 . A A . 29 SER HB3 1 1 5 3384 1 1 29 SER HG H -6.589 -2.209 5.598 1.00 . A A . 29 SER HG 1 1 5 3385 1 1 29 SER N N -4.085 -0.782 8.549 1.00 . A A . 29 SER N 1 1 5 3386 1 1 29 SER O O -4.798 1.042 6.644 1.00 . A A . 29 SER O 1 1 5 3387 1 1 29 SER OG O -6.867 -1.628 6.363 1.00 . A A . 29 SER OG 1 1 5 3388 1 1 30 PHE C C -5.997 1.136 3.831 1.00 . A A . 30 PHE C 1 1 5 3389 1 1 30 PHE CA C -4.621 0.476 3.929 1.00 . A A . 30 PHE CA 1 1 5 3390 1 1 30 PHE CB C -4.338 -0.281 2.629 1.00 . A A . 30 PHE CB 1 1 5 3391 1 1 30 PHE CD1 C -4.626 1.261 0.677 1.00 . A A . 30 PHE CD1 1 1 5 3392 1 1 30 PHE CD2 C -2.434 0.713 1.341 1.00 . A A . 30 PHE CD2 1 1 5 3393 1 1 30 PHE CE1 C -4.107 2.076 -0.364 1.00 . A A . 30 PHE CE1 1 1 5 3394 1 1 30 PHE CE2 C -1.914 1.527 0.301 1.00 . A A . 30 PHE CE2 1 1 5 3395 1 1 30 PHE CG C -3.779 0.597 1.508 1.00 . A A . 30 PHE CG 1 1 5 3396 1 1 30 PHE CZ C -2.762 2.191 -0.530 1.00 . A A . 30 PHE CZ 1 1 5 3397 1 1 30 PHE H H -4.490 -1.451 4.709 1.00 . A A . 30 PHE H 1 1 5 3398 1 1 30 PHE HA H -3.871 1.234 4.156 1.00 . A A . 30 PHE HA 1 1 5 3399 1 1 30 PHE HB2 H -3.631 -1.084 2.835 1.00 . A A . 30 PHE HB2 1 1 5 3400 1 1 30 PHE HB3 H -5.261 -0.748 2.285 1.00 . A A . 30 PHE HB3 1 1 5 3401 1 1 30 PHE HD1 H -5.704 1.169 0.810 1.00 . A A . 30 PHE HD1 1 1 5 3402 1 1 30 PHE HD2 H -1.755 0.180 2.007 1.00 . A A . 30 PHE HD2 1 1 5 3403 1 1 30 PHE HE1 H -4.786 2.608 -1.030 1.00 . A A . 30 PHE HE1 1 1 5 3404 1 1 30 PHE HE2 H -0.836 1.620 0.167 1.00 . A A . 30 PHE HE2 1 1 5 3405 1 1 30 PHE HZ H -2.363 2.817 -1.329 1.00 . A A . 30 PHE HZ 1 1 5 3406 1 1 30 PHE N N -4.587 -0.501 5.004 1.00 . A A . 30 PHE N 1 1 5 3407 1 1 30 PHE O O -6.123 2.244 3.312 1.00 . A A . 30 PHE O 1 1 5 3408 1 1 31 ASP C C -8.510 2.028 5.374 1.00 . A A . 31 ASP C 1 1 5 3409 1 1 31 ASP CA C -8.358 0.933 4.317 1.00 . A A . 31 ASP CA 1 1 5 3410 1 1 31 ASP CB C -9.361 -0.177 4.638 1.00 . A A . 31 ASP CB 1 1 5 3411 1 1 31 ASP CG C -10.799 0.104 4.197 1.00 . A A . 31 ASP CG 1 1 5 3412 1 1 31 ASP H H -6.885 -0.471 4.761 1.00 . A A . 31 ASP H 1 1 5 3413 1 1 31 ASP HA H -8.508 1.307 3.304 1.00 . A A . 31 ASP HA 1 1 5 3414 1 1 31 ASP HB2 H -9.025 -1.099 4.163 1.00 . A A . 31 ASP HB2 1 1 5 3415 1 1 31 ASP HB3 H -9.355 -0.352 5.714 1.00 . A A . 31 ASP HB3 1 1 5 3416 1 1 31 ASP HD2 H -12.296 -0.245 5.286 1.00 . A A . 31 ASP HD2 1 1 5 3417 1 1 31 ASP N N -6.995 0.429 4.340 1.00 . A A . 31 ASP N 1 1 5 3418 1 1 31 ASP O O -9.506 2.750 5.387 1.00 . A A . 31 ASP O 1 1 5 3419 1 1 31 ASP OD1 O -11.064 1.060 3.453 1.00 . A A . 31 ASP OD1 1 1 5 3420 1 1 31 ASP OD2 O -11.681 -0.719 4.656 1.00 . A A . 31 ASP OD2 1 1 5 3421 1 1 32 ASP C C -6.498 4.207 6.969 1.00 . A A . 32 ASP C 1 1 5 3422 1 1 32 ASP CA C -7.517 3.113 7.294 1.00 . A A . 32 ASP CA 1 1 5 3423 1 1 32 ASP CB C -7.131 2.491 8.638 1.00 . A A . 32 ASP CB 1 1 5 3424 1 1 32 ASP CG C -8.233 2.510 9.699 1.00 . A A . 32 ASP CG 1 1 5 3425 1 1 32 ASP H H -6.701 1.527 6.218 1.00 . A A . 32 ASP H 1 1 5 3426 1 1 32 ASP HA H -8.539 3.490 7.323 1.00 . A A . 32 ASP HA 1 1 5 3427 1 1 32 ASP HB2 H -6.827 1.458 8.470 1.00 . A A . 32 ASP HB2 1 1 5 3428 1 1 32 ASP HB3 H -6.262 3.019 9.029 1.00 . A A . 32 ASP HB3 1 1 5 3429 1 1 32 ASP HD2 H -8.873 4.082 10.515 1.00 . A A . 32 ASP HD2 1 1 5 3430 1 1 32 ASP N N -7.507 2.118 6.236 1.00 . A A . 32 ASP N 1 1 5 3431 1 1 32 ASP O O -6.399 5.201 7.687 1.00 . A A . 32 ASP O 1 1 5 3432 1 1 32 ASP OD1 O -9.157 1.684 9.675 1.00 . A A . 32 ASP OD1 1 1 5 3433 1 1 32 ASP OD2 O -8.115 3.434 10.591 1.00 . A A . 32 ASP OD2 1 1 5 3434 1 1 33 LEU C C -5.426 6.288 5.172 1.00 . A A . 33 LEU C 1 1 5 3435 1 1 33 LEU CA C -4.758 4.942 5.458 1.00 . A A . 33 LEU CA 1 1 5 3436 1 1 33 LEU CB C -3.963 4.386 4.275 1.00 . A A . 33 LEU CB 1 1 5 3437 1 1 33 LEU CD1 C -2.207 2.813 3.381 1.00 . A A . 33 LEU CD1 1 1 5 3438 1 1 33 LEU CD2 C -1.695 4.296 5.374 1.00 . A A . 33 LEU CD2 1 1 5 3439 1 1 33 LEU CG C -2.767 3.499 4.628 1.00 . A A . 33 LEU CG 1 1 5 3440 1 1 33 LEU H H -5.853 3.176 5.309 1.00 . A A . 33 LEU H 1 1 5 3441 1 1 33 LEU HA H -4.059 5.071 6.284 1.00 . A A . 33 LEU HA 1 1 5 3442 1 1 33 LEU HB2 H -4.642 3.812 3.644 1.00 . A A . 33 LEU HB2 1 1 5 3443 1 1 33 LEU HB3 H -3.605 5.225 3.678 1.00 . A A . 33 LEU HB3 1 1 5 3444 1 1 33 LEU HD11 H -2.990 2.734 2.627 1.00 . A A . 33 LEU HD11 1 1 5 3445 1 1 33 LEU HD12 H -1.378 3.399 2.985 1.00 . A A . 33 LEU HD12 1 1 5 3446 1 1 33 LEU HD13 H -1.853 1.815 3.643 1.00 . A A . 33 LEU HD13 1 1 5 3447 1 1 33 LEU HD21 H -1.445 5.191 4.805 1.00 . A A . 33 LEU HD21 1 1 5 3448 1 1 33 LEU HD22 H -2.073 4.583 6.355 1.00 . A A . 33 LEU HD22 1 1 5 3449 1 1 33 LEU HD23 H -0.803 3.681 5.494 1.00 . A A . 33 LEU HD23 1 1 5 3450 1 1 33 LEU HG H -3.111 2.714 5.301 1.00 . A A . 33 LEU HG 1 1 5 3451 1 1 33 LEU N N -5.766 3.987 5.887 1.00 . A A . 33 LEU N 1 1 5 3452 1 1 33 LEU O O -6.644 6.360 5.017 1.00 . A A . 33 LEU O 1 1 5 3453 1 1 34 PRO C C -5.444 8.855 3.371 1.00 . A A . 34 PRO C 1 1 5 3454 1 1 34 PRO CA C -5.073 8.689 4.846 1.00 . A A . 34 PRO CA 1 1 5 3455 1 1 34 PRO CB C -3.952 9.617 5.284 1.00 . A A . 34 PRO CB 1 1 5 3456 1 1 34 PRO CD C -3.130 7.301 5.289 1.00 . A A . 34 PRO CD 1 1 5 3457 1 1 34 PRO CG C -2.699 8.758 5.342 1.00 . A A . 34 PRO CG 1 1 5 3458 1 1 34 PRO HA H -5.915 8.856 5.360 1.00 . A A . 34 PRO HA 1 1 5 3459 1 1 34 PRO HB2 H -3.829 10.440 4.581 1.00 . A A . 34 PRO HB2 1 1 5 3460 1 1 34 PRO HB3 H -4.168 10.058 6.257 1.00 . A A . 34 PRO HB3 1 1 5 3461 1 1 34 PRO HD2 H -2.646 6.775 4.467 1.00 . A A . 34 PRO HD2 1 1 5 3462 1 1 34 PRO HD3 H -2.861 6.775 6.206 1.00 . A A . 34 PRO HD3 1 1 5 3463 1 1 34 PRO HG2 H -2.038 8.991 4.508 1.00 . A A . 34 PRO HG2 1 1 5 3464 1 1 34 PRO HG3 H -2.141 8.958 6.257 1.00 . A A . 34 PRO HG3 1 1 5 3465 1 1 34 PRO N N -4.578 7.349 5.110 1.00 . A A . 34 PRO N 1 1 5 3466 1 1 34 PRO O O -5.090 8.020 2.540 1.00 . A A . 34 PRO O 1 1 5 3467 1 1 35 ALA C C -5.483 11.025 1.018 1.00 . A A . 35 ALA C 1 1 5 3468 1 1 35 ALA CA C -6.576 10.225 1.730 1.00 . A A . 35 ALA CA 1 1 5 3469 1 1 35 ALA CB C -7.915 10.964 1.756 1.00 . A A . 35 ALA CB 1 1 5 3470 1 1 35 ALA H H -6.437 10.613 3.772 1.00 . A A . 35 ALA H 1 1 5 3471 1 1 35 ALA HA H -6.710 9.273 1.217 1.00 . A A . 35 ALA HA 1 1 5 3472 1 1 35 ALA HB1 H -8.726 10.251 1.607 1.00 . A A . 35 ALA HB1 1 1 5 3473 1 1 35 ALA HB2 H -8.039 11.458 2.720 1.00 . A A . 35 ALA HB2 1 1 5 3474 1 1 35 ALA HB3 H -7.935 11.709 0.961 1.00 . A A . 35 ALA HB3 1 1 5 3475 1 1 35 ALA N N -6.153 9.939 3.090 1.00 . A A . 35 ALA N 1 1 5 3476 1 1 35 ALA O O -5.723 11.608 -0.038 1.00 . A A . 35 ALA O 1 1 5 3477 1 1 36 ASP C C -1.986 10.794 0.928 1.00 . A A . 36 ASP C 1 1 5 3478 1 1 36 ASP CA C -3.175 11.747 1.064 1.00 . A A . 36 ASP CA 1 1 5 3479 1 1 36 ASP CB C -2.752 12.904 1.971 1.00 . A A . 36 ASP CB 1 1 5 3480 1 1 36 ASP CG C -2.582 14.251 1.264 1.00 . A A . 36 ASP CG 1 1 5 3481 1 1 36 ASP H H -4.118 10.552 2.485 1.00 . A A . 36 ASP H 1 1 5 3482 1 1 36 ASP HA H -3.523 12.119 0.100 1.00 . A A . 36 ASP HA 1 1 5 3483 1 1 36 ASP HB2 H -3.494 13.017 2.761 1.00 . A A . 36 ASP HB2 1 1 5 3484 1 1 36 ASP HB3 H -1.810 12.643 2.453 1.00 . A A . 36 ASP HB3 1 1 5 3485 1 1 36 ASP HD2 H -2.809 16.112 1.440 1.00 . A A . 36 ASP HD2 1 1 5 3486 1 1 36 ASP N N -4.305 11.028 1.626 1.00 . A A . 36 ASP N 1 1 5 3487 1 1 36 ASP O O -0.880 11.218 0.595 1.00 . A A . 36 ASP O 1 1 5 3488 1 1 36 ASP OD1 O -2.259 14.308 0.068 1.00 . A A . 36 ASP OD1 1 1 5 3489 1 1 36 ASP OD2 O -2.798 15.286 2.003 1.00 . A A . 36 ASP OD2 1 1 5 3490 1 1 37 TRP C C -1.134 8.044 -0.349 1.00 . A A . 37 TRP C 1 1 5 3491 1 1 37 TRP CA C -1.219 8.507 1.106 1.00 . A A . 37 TRP CA 1 1 5 3492 1 1 37 TRP CB C -1.493 7.361 2.083 1.00 . A A . 37 TRP CB 1 1 5 3493 1 1 37 TRP CD1 C 0.548 6.255 3.211 1.00 . A A . 37 TRP CD1 1 1 5 3494 1 1 37 TRP CD2 C 0.019 5.336 1.266 1.00 . A A . 37 TRP CD2 1 1 5 3495 1 1 37 TRP CE2 C 1.116 4.658 1.758 1.00 . A A . 37 TRP CE2 1 1 5 3496 1 1 37 TRP CE3 C -0.564 4.989 0.035 1.00 . A A . 37 TRP CE3 1 1 5 3497 1 1 37 TRP CG C -0.338 6.365 2.213 1.00 . A A . 37 TRP CG 1 1 5 3498 1 1 37 TRP CH2 C 1.160 3.229 -0.144 1.00 . A A . 37 TRP CH2 1 1 5 3499 1 1 37 TRP CZ2 C 1.724 3.592 1.084 1.00 . A A . 37 TRP CZ2 1 1 5 3500 1 1 37 TRP CZ3 C 0.055 3.922 -0.626 1.00 . A A . 37 TRP CZ3 1 1 5 3501 1 1 37 TRP H H -3.155 9.187 1.465 1.00 . A A . 37 TRP H 1 1 5 3502 1 1 37 TRP HA H -0.277 8.963 1.408 1.00 . A A . 37 TRP HA 1 1 5 3503 1 1 37 TRP HB2 H -1.710 7.779 3.066 1.00 . A A . 37 TRP HB2 1 1 5 3504 1 1 37 TRP HB3 H -2.386 6.827 1.759 1.00 . A A . 37 TRP HB3 1 1 5 3505 1 1 37 TRP HD1 H 0.558 6.892 4.096 1.00 . A A . 37 TRP HD1 1 1 5 3506 1 1 37 TRP HE1 H 2.268 4.937 3.631 1.00 . A A . 37 TRP HE1 1 1 5 3507 1 1 37 TRP HE3 H -1.431 5.509 -0.375 1.00 . A A . 37 TRP HE3 1 1 5 3508 1 1 37 TRP HH2 H 1.584 2.407 -0.721 1.00 . A A . 37 TRP HH2 1 1 5 3509 1 1 37 TRP HZ2 H 2.590 3.073 1.494 1.00 . A A . 37 TRP HZ2 1 1 5 3510 1 1 37 TRP HZ3 H -0.358 3.612 -1.586 1.00 . A A . 37 TRP HZ3 1 1 5 3511 1 1 37 TRP N N -2.253 9.524 1.194 1.00 . A A . 37 TRP N 1 1 5 3512 1 1 37 TRP NE1 N 1.448 5.235 2.978 1.00 . A A . 37 TRP NE1 1 1 5 3513 1 1 37 TRP O O -2.157 7.818 -0.993 1.00 . A A . 37 TRP O 1 1 5 3514 1 1 38 VAL C C 1.667 6.747 -2.270 1.00 . A A . 38 VAL C 1 1 5 3515 1 1 38 VAL CA C 0.328 7.484 -2.193 1.00 . A A . 38 VAL CA 1 1 5 3516 1 1 38 VAL CB C 0.251 8.683 -3.140 1.00 . A A . 38 VAL CB 1 1 5 3517 1 1 38 VAL CG1 C -1.112 9.371 -3.044 1.00 . A A . 38 VAL CG1 1 1 5 3518 1 1 38 VAL CG2 C 1.385 9.673 -2.866 1.00 . A A . 38 VAL CG2 1 1 5 3519 1 1 38 VAL H H 0.923 8.102 -0.294 1.00 . A A . 38 VAL H 1 1 5 3520 1 1 38 VAL HA H -0.470 6.792 -2.459 1.00 . A A . 38 VAL HA 1 1 5 3521 1 1 38 VAL HB H 0.368 8.313 -4.159 1.00 . A A . 38 VAL HB 1 1 5 3522 1 1 38 VAL HG11 H -1.898 8.656 -3.288 1.00 . A A . 38 VAL HG11 1 1 5 3523 1 1 38 VAL HG12 H -1.261 9.743 -2.031 1.00 . A A . 38 VAL HG12 1 1 5 3524 1 1 38 VAL HG13 H -1.149 10.204 -3.746 1.00 . A A . 38 VAL HG13 1 1 5 3525 1 1 38 VAL HG21 H 2.263 9.389 -3.446 1.00 . A A . 38 VAL HG21 1 1 5 3526 1 1 38 VAL HG22 H 1.069 10.676 -3.153 1.00 . A A . 38 VAL HG22 1 1 5 3527 1 1 38 VAL HG23 H 1.630 9.659 -1.804 1.00 . A A . 38 VAL HG23 1 1 5 3528 1 1 38 VAL N N 0.096 7.916 -0.825 1.00 . A A . 38 VAL N 1 1 5 3529 1 1 38 VAL O O 2.613 7.096 -1.566 1.00 . A A . 38 VAL O 1 1 5 3530 1 1 39 CYS C C 4.115 5.887 -3.210 1.00 . A A . 39 CYS C 1 1 5 3531 1 1 39 CYS CA C 2.909 4.951 -3.309 1.00 . A A . 39 CYS CA 1 1 5 3532 1 1 39 CYS CB C 2.891 4.181 -4.631 1.00 . A A . 39 CYS CB 1 1 5 3533 1 1 39 CYS H H 0.928 5.463 -3.700 1.00 . A A . 39 CYS H 1 1 5 3534 1 1 39 CYS HA H 2.923 4.215 -2.505 1.00 . A A . 39 CYS HA 1 1 5 3535 1 1 39 CYS HB2 H 2.196 3.347 -4.541 1.00 . A A . 39 CYS HB2 1 1 5 3536 1 1 39 CYS HB3 H 2.504 4.836 -5.412 1.00 . A A . 39 CYS HB3 1 1 5 3537 1 1 39 CYS N N 1.703 5.741 -3.131 1.00 . A A . 39 CYS N 1 1 5 3538 1 1 39 CYS O O 4.397 6.643 -4.139 1.00 . A A . 39 CYS O 1 1 5 3539 1 1 39 CYS SG S 4.518 3.533 -5.164 1.00 . A A . 39 CYS SG 1 1 5 3540 1 1 40 PRO C C 7.185 6.125 -2.611 1.00 . A A . 40 PRO C 1 1 5 3541 1 1 40 PRO CA C 5.982 6.635 -1.813 1.00 . A A . 40 PRO CA 1 1 5 3542 1 1 40 PRO CB C 6.204 6.590 -0.310 1.00 . A A . 40 PRO CB 1 1 5 3543 1 1 40 PRO CD C 4.509 4.921 -0.924 1.00 . A A . 40 PRO CD 1 1 5 3544 1 1 40 PRO CG C 5.442 5.373 0.188 1.00 . A A . 40 PRO CG 1 1 5 3545 1 1 40 PRO HA H 5.816 7.567 -2.136 1.00 . A A . 40 PRO HA 1 1 5 3546 1 1 40 PRO HB2 H 7.265 6.510 -0.074 1.00 . A A . 40 PRO HB2 1 1 5 3547 1 1 40 PRO HB3 H 5.840 7.501 0.166 1.00 . A A . 40 PRO HB3 1 1 5 3548 1 1 40 PRO HD2 H 4.680 3.876 -1.185 1.00 . A A . 40 PRO HD2 1 1 5 3549 1 1 40 PRO HD3 H 3.464 5.007 -0.624 1.00 . A A . 40 PRO HD3 1 1 5 3550 1 1 40 PRO HG2 H 6.132 4.573 0.456 1.00 . A A . 40 PRO HG2 1 1 5 3551 1 1 40 PRO HG3 H 4.874 5.619 1.085 1.00 . A A . 40 PRO HG3 1 1 5 3552 1 1 40 PRO N N 4.813 5.804 -2.046 1.00 . A A . 40 PRO N 1 1 5 3553 1 1 40 PRO O O 8.285 6.007 -2.074 1.00 . A A . 40 PRO O 1 1 5 3554 1 1 41 VAL C C 7.853 6.011 -6.125 1.00 . A A . 41 VAL C 1 1 5 3555 1 1 41 VAL CA C 7.981 5.341 -4.755 1.00 . A A . 41 VAL CA 1 1 5 3556 1 1 41 VAL CB C 7.924 3.814 -4.829 1.00 . A A . 41 VAL CB 1 1 5 3557 1 1 41 VAL CG1 C 9.189 3.249 -5.480 1.00 . A A . 41 VAL CG1 1 1 5 3558 1 1 41 VAL CG2 C 7.703 3.206 -3.443 1.00 . A A . 41 VAL CG2 1 1 5 3559 1 1 41 VAL H H 6.035 5.934 -4.308 1.00 . A A . 41 VAL H 1 1 5 3560 1 1 41 VAL HA H 8.938 5.622 -4.315 1.00 . A A . 41 VAL HA 1 1 5 3561 1 1 41 VAL HB H 7.075 3.540 -5.454 1.00 . A A . 41 VAL HB 1 1 5 3562 1 1 41 VAL HG11 H 9.162 3.443 -6.553 1.00 . A A . 41 VAL HG11 1 1 5 3563 1 1 41 VAL HG12 H 10.066 3.728 -5.046 1.00 . A A . 41 VAL HG12 1 1 5 3564 1 1 41 VAL HG13 H 9.238 2.174 -5.306 1.00 . A A . 41 VAL HG13 1 1 5 3565 1 1 41 VAL HG21 H 8.054 3.902 -2.681 1.00 . A A . 41 VAL HG21 1 1 5 3566 1 1 41 VAL HG22 H 6.640 3.012 -3.297 1.00 . A A . 41 VAL HG22 1 1 5 3567 1 1 41 VAL HG23 H 8.257 2.271 -3.364 1.00 . A A . 41 VAL HG23 1 1 5 3568 1 1 41 VAL N N 6.933 5.836 -3.879 1.00 . A A . 41 VAL N 1 1 5 3569 1 1 41 VAL O O 8.819 6.575 -6.637 1.00 . A A . 41 VAL O 1 1 5 3570 1 1 42 CYS C C 5.421 7.690 -7.786 1.00 . A A . 42 CYS C 1 1 5 3571 1 1 42 CYS CA C 6.386 6.518 -7.980 1.00 . A A . 42 CYS CA 1 1 5 3572 1 1 42 CYS CB C 5.839 5.486 -8.968 1.00 . A A . 42 CYS CB 1 1 5 3573 1 1 42 CYS H H 5.872 5.466 -6.256 1.00 . A A . 42 CYS H 1 1 5 3574 1 1 42 CYS HA H 7.343 6.865 -8.368 1.00 . A A . 42 CYS HA 1 1 5 3575 1 1 42 CYS HB2 H 6.040 5.833 -9.982 1.00 . A A . 42 CYS HB2 1 1 5 3576 1 1 42 CYS HB3 H 6.386 4.552 -8.837 1.00 . A A . 42 CYS HB3 1 1 5 3577 1 1 42 CYS N N 6.653 5.927 -6.679 1.00 . A A . 42 CYS N 1 1 5 3578 1 1 42 CYS O O 5.580 8.738 -8.408 1.00 . A A . 42 CYS O 1 1 5 3579 1 1 42 CYS SG S 4.048 5.145 -8.810 1.00 . A A . 42 CYS SG 1 1 5 3580 1 1 43 GLY C C 2.039 7.991 -6.934 1.00 . A A . 43 GLY C 1 1 5 3581 1 1 43 GLY CA C 3.452 8.496 -6.636 1.00 . A A . 43 GLY CA 1 1 5 3582 1 1 43 GLY H H 4.320 6.616 -6.417 1.00 . A A . 43 GLY H 1 1 5 3583 1 1 43 GLY HA2 H 3.522 8.795 -5.590 1.00 . A A . 43 GLY HA2 1 1 5 3584 1 1 43 GLY HA3 H 3.659 9.383 -7.236 1.00 . A A . 43 GLY HA3 1 1 5 3585 1 1 43 GLY N N 4.442 7.472 -6.920 1.00 . A A . 43 GLY N 1 1 5 3586 1 1 43 GLY O O 1.108 8.783 -7.068 1.00 . A A . 43 GLY O 1 1 5 3587 1 1 44 ALA C C -0.338 6.385 -6.180 1.00 . A A . 44 ALA C 1 1 5 3588 1 1 44 ALA CA C 0.640 6.054 -7.309 1.00 . A A . 44 ALA CA 1 1 5 3589 1 1 44 ALA CB C 0.831 4.547 -7.493 1.00 . A A . 44 ALA CB 1 1 5 3590 1 1 44 ALA H H 2.686 6.037 -6.919 1.00 . A A . 44 ALA H 1 1 5 3591 1 1 44 ALA HA H 0.263 6.476 -8.240 1.00 . A A . 44 ALA HA 1 1 5 3592 1 1 44 ALA HB1 H -0.082 4.113 -7.901 1.00 . A A . 44 ALA HB1 1 1 5 3593 1 1 44 ALA HB2 H 1.658 4.366 -8.179 1.00 . A A . 44 ALA HB2 1 1 5 3594 1 1 44 ALA HB3 H 1.051 4.089 -6.529 1.00 . A A . 44 ALA HB3 1 1 5 3595 1 1 44 ALA N N 1.924 6.674 -7.029 1.00 . A A . 44 ALA N 1 1 5 3596 1 1 44 ALA O O 0.039 6.390 -5.009 1.00 . A A . 44 ALA O 1 1 5 3597 1 1 45 PRO C C -3.113 5.742 -4.868 1.00 . A A . 45 PRO C 1 1 5 3598 1 1 45 PRO CA C -2.643 6.990 -5.617 1.00 . A A . 45 PRO CA 1 1 5 3599 1 1 45 PRO CB C -3.746 7.645 -6.433 1.00 . A A . 45 PRO CB 1 1 5 3600 1 1 45 PRO CD C -2.090 6.663 -7.960 1.00 . A A . 45 PRO CD 1 1 5 3601 1 1 45 PRO CG C -3.494 7.239 -7.876 1.00 . A A . 45 PRO CG 1 1 5 3602 1 1 45 PRO HA H -2.282 7.609 -4.919 1.00 . A A . 45 PRO HA 1 1 5 3603 1 1 45 PRO HB2 H -4.729 7.311 -6.099 1.00 . A A . 45 PRO HB2 1 1 5 3604 1 1 45 PRO HB3 H -3.723 8.729 -6.322 1.00 . A A . 45 PRO HB3 1 1 5 3605 1 1 45 PRO HD2 H -2.099 5.656 -8.378 1.00 . A A . 45 PRO HD2 1 1 5 3606 1 1 45 PRO HD3 H -1.451 7.269 -8.601 1.00 . A A . 45 PRO HD3 1 1 5 3607 1 1 45 PRO HG2 H -4.229 6.501 -8.199 1.00 . A A . 45 PRO HG2 1 1 5 3608 1 1 45 PRO HG3 H -3.594 8.099 -8.537 1.00 . A A . 45 PRO HG3 1 1 5 3609 1 1 45 PRO N N -1.608 6.660 -6.582 1.00 . A A . 45 PRO N 1 1 5 3610 1 1 45 PRO O O -3.214 4.664 -5.452 1.00 . A A . 45 PRO O 1 1 5 3611 1 1 46 LYS C C -5.070 4.180 -3.397 1.00 . A A . 46 LYS C 1 1 5 3612 1 1 46 LYS CA C -3.846 4.832 -2.750 1.00 . A A . 46 LYS CA 1 1 5 3613 1 1 46 LYS CB C -4.091 5.314 -1.319 1.00 . A A . 46 LYS CB 1 1 5 3614 1 1 46 LYS CD C -6.524 5.307 -0.655 1.00 . A A . 46 LYS CD 1 1 5 3615 1 1 46 LYS CE C -6.765 5.648 0.817 1.00 . A A . 46 LYS CE 1 1 5 3616 1 1 46 LYS CG C -5.376 6.139 -1.230 1.00 . A A . 46 LYS CG 1 1 5 3617 1 1 46 LYS H H -3.305 6.809 -3.118 1.00 . A A . 46 LYS H 1 1 5 3618 1 1 46 LYS HA H -3.044 4.096 -2.710 1.00 . A A . 46 LYS HA 1 1 5 3619 1 1 46 LYS HB2 H -4.158 4.457 -0.649 1.00 . A A . 46 LYS HB2 1 1 5 3620 1 1 46 LYS HB3 H -3.245 5.914 -0.984 1.00 . A A . 46 LYS HB3 1 1 5 3621 1 1 46 LYS HD2 H -7.433 5.489 -1.228 1.00 . A A . 46 LYS HD2 1 1 5 3622 1 1 46 LYS HD3 H -6.293 4.246 -0.753 1.00 . A A . 46 LYS HD3 1 1 5 3623 1 1 46 LYS HE2 H -6.287 6.597 1.059 1.00 . A A . 46 LYS HE2 1 1 5 3624 1 1 46 LYS HE3 H -7.833 5.775 0.996 1.00 . A A . 46 LYS HE3 1 1 5 3625 1 1 46 LYS HG2 H -5.207 7.015 -0.603 1.00 . A A . 46 LYS HG2 1 1 5 3626 1 1 46 LYS HG3 H -5.647 6.504 -2.220 1.00 . A A . 46 LYS HG3 1 1 5 3627 1 1 46 LYS HZ1 H -5.590 4.943 2.387 1.00 . A A . 46 LYS HZ1 1 1 5 3628 1 1 46 LYS HZ3 H -5.727 3.875 1.165 1.00 . A A . 46 LYS HZ3 1 1 5 3629 1 1 46 LYS N N -3.389 5.929 -3.585 1.00 . A A . 46 LYS N 1 1 5 3630 1 1 46 LYS NZ N -6.233 4.580 1.691 1.00 . A A . 46 LYS NZ 1 1 5 3631 1 1 46 LYS O O -5.423 3.049 -3.066 1.00 . A A . 46 LYS O 1 1 5 3632 1 1 47 SER C C -6.449 3.429 -6.085 1.00 . A A . 47 SER C 1 1 5 3633 1 1 47 SER CA C -6.861 4.430 -5.004 1.00 . A A . 47 SER CA 1 1 5 3634 1 1 47 SER CB C -7.656 5.582 -5.621 1.00 . A A . 47 SER CB 1 1 5 3635 1 1 47 SER H H -5.390 5.841 -4.571 1.00 . A A . 47 SER H 1 1 5 3636 1 1 47 SER HA H -7.465 3.941 -4.240 1.00 . A A . 47 SER HA 1 1 5 3637 1 1 47 SER HB2 H -7.016 6.459 -5.709 1.00 . A A . 47 SER HB2 1 1 5 3638 1 1 47 SER HB3 H -7.963 5.310 -6.631 1.00 . A A . 47 SER HB3 1 1 5 3639 1 1 47 SER HG H -8.575 6.606 -4.168 1.00 . A A . 47 SER HG 1 1 5 3640 1 1 47 SER N N -5.684 4.922 -4.308 1.00 . A A . 47 SER N 1 1 5 3641 1 1 47 SER O O -7.253 2.599 -6.506 1.00 . A A . 47 SER O 1 1 5 3642 1 1 47 SER OG O -8.807 5.911 -4.848 1.00 . A A . 47 SER OG 1 1 5 3643 1 1 48 GLU C C -3.931 1.481 -6.886 1.00 . A A . 48 GLU C 1 1 5 3644 1 1 48 GLU CA C -4.669 2.657 -7.529 1.00 . A A . 48 GLU CA 1 1 5 3645 1 1 48 GLU CB C -3.755 3.417 -8.492 1.00 . A A . 48 GLU CB 1 1 5 3646 1 1 48 GLU CD C -3.648 5.205 -10.267 1.00 . A A . 48 GLU CD 1 1 5 3647 1 1 48 GLU CG C -4.568 4.331 -9.412 1.00 . A A . 48 GLU CG 1 1 5 3648 1 1 48 GLU H H -4.550 4.220 -6.157 1.00 . A A . 48 GLU H 1 1 5 3649 1 1 48 GLU HA H -5.540 2.293 -8.075 1.00 . A A . 48 GLU HA 1 1 5 3650 1 1 48 GLU HB2 H -3.037 4.010 -7.926 1.00 . A A . 48 GLU HB2 1 1 5 3651 1 1 48 GLU HB3 H -3.183 2.709 -9.091 1.00 . A A . 48 GLU HB3 1 1 5 3652 1 1 48 GLU HE2 H -4.138 6.688 -11.320 1.00 . A A . 48 GLU HE2 1 1 5 3653 1 1 48 GLU HG2 H -5.207 3.729 -10.057 1.00 . A A . 48 GLU HG2 1 1 5 3654 1 1 48 GLU HG3 H -5.223 4.964 -8.814 1.00 . A A . 48 GLU HG3 1 1 5 3655 1 1 48 GLU N N -5.197 3.541 -6.504 1.00 . A A . 48 GLU N 1 1 5 3656 1 1 48 GLU O O -3.041 0.892 -7.498 1.00 . A A . 48 GLU O 1 1 5 3657 1 1 48 GLU OE1 O -2.650 4.708 -10.810 1.00 . A A . 48 GLU OE1 1 1 5 3658 1 1 48 GLU OE2 O -4.002 6.442 -10.360 1.00 . A A . 48 GLU OE2 1 1 5 3659 1 1 49 PHE C C -4.691 -1.087 -4.766 1.00 . A A . 49 PHE C 1 1 5 3660 1 1 49 PHE CA C -3.714 0.080 -4.926 1.00 . A A . 49 PHE CA 1 1 5 3661 1 1 49 PHE CB C -3.349 0.618 -3.542 1.00 . A A . 49 PHE CB 1 1 5 3662 1 1 49 PHE CD1 C -1.471 2.249 -3.834 1.00 . A A . 49 PHE CD1 1 1 5 3663 1 1 49 PHE CD2 C -0.987 0.168 -2.841 1.00 . A A . 49 PHE CD2 1 1 5 3664 1 1 49 PHE CE1 C -0.109 2.628 -3.703 1.00 . A A . 49 PHE CE1 1 1 5 3665 1 1 49 PHE CE2 C 0.375 0.548 -2.710 1.00 . A A . 49 PHE CE2 1 1 5 3666 1 1 49 PHE CG C -1.881 1.027 -3.400 1.00 . A A . 49 PHE CG 1 1 5 3667 1 1 49 PHE CZ C 0.785 1.770 -3.144 1.00 . A A . 49 PHE CZ 1 1 5 3668 1 1 49 PHE H H -5.052 1.658 -5.168 1.00 . A A . 49 PHE H 1 1 5 3669 1 1 49 PHE HA H -2.849 -0.250 -5.501 1.00 . A A . 49 PHE HA 1 1 5 3670 1 1 49 PHE HB2 H -3.978 1.479 -3.320 1.00 . A A . 49 PHE HB2 1 1 5 3671 1 1 49 PHE HB3 H -3.576 -0.144 -2.795 1.00 . A A . 49 PHE HB3 1 1 5 3672 1 1 49 PHE HD1 H -2.188 2.937 -4.282 1.00 . A A . 49 PHE HD1 1 1 5 3673 1 1 49 PHE HD2 H -1.315 -0.811 -2.493 1.00 . A A . 49 PHE HD2 1 1 5 3674 1 1 49 PHE HE1 H 0.219 3.608 -4.051 1.00 . A A . 49 PHE HE1 1 1 5 3675 1 1 49 PHE HE2 H 1.092 -0.140 -2.262 1.00 . A A . 49 PHE HE2 1 1 5 3676 1 1 49 PHE HZ H 1.831 2.061 -3.043 1.00 . A A . 49 PHE HZ 1 1 5 3677 1 1 49 PHE N N -4.327 1.174 -5.659 1.00 . A A . 49 PHE N 1 1 5 3678 1 1 49 PHE O O -5.857 -0.884 -4.433 1.00 . A A . 49 PHE O 1 1 5 3679 1 1 50 GLU C C -4.271 -4.533 -4.045 1.00 . A A . 50 GLU C 1 1 5 3680 1 1 50 GLU CA C -4.990 -3.484 -4.896 1.00 . A A . 50 GLU CA 1 1 5 3681 1 1 50 GLU CB C -5.339 -4.043 -6.277 1.00 . A A . 50 GLU CB 1 1 5 3682 1 1 50 GLU CD C -4.501 -5.366 -8.253 1.00 . A A . 50 GLU CD 1 1 5 3683 1 1 50 GLU CG C -4.184 -4.874 -6.839 1.00 . A A . 50 GLU CG 1 1 5 3684 1 1 50 GLU H H -3.228 -2.441 -5.279 1.00 . A A . 50 GLU H 1 1 5 3685 1 1 50 GLU HA H -5.906 -3.167 -4.397 1.00 . A A . 50 GLU HA 1 1 5 3686 1 1 50 GLU HB2 H -6.235 -4.659 -6.208 1.00 . A A . 50 GLU HB2 1 1 5 3687 1 1 50 GLU HB3 H -5.567 -3.223 -6.958 1.00 . A A . 50 GLU HB3 1 1 5 3688 1 1 50 GLU HE2 H -4.047 -7.169 -8.549 1.00 . A A . 50 GLU HE2 1 1 5 3689 1 1 50 GLU HG2 H -3.274 -4.275 -6.854 1.00 . A A . 50 GLU HG2 1 1 5 3690 1 1 50 GLU HG3 H -3.994 -5.727 -6.188 1.00 . A A . 50 GLU HG3 1 1 5 3691 1 1 50 GLU N N -4.178 -2.284 -5.009 1.00 . A A . 50 GLU N 1 1 5 3692 1 1 50 GLU O O -3.043 -4.590 -4.030 1.00 . A A . 50 GLU O 1 1 5 3693 1 1 50 GLU OE1 O -5.481 -4.912 -8.863 1.00 . A A . 50 GLU OE1 1 1 5 3694 1 1 50 GLU OE2 O -3.686 -6.252 -8.717 1.00 . A A . 50 GLU OE2 1 1 5 3695 1 1 51 ALA C C -4.270 -7.637 -3.345 1.00 . A A . 51 ALA C 1 1 5 3696 1 1 51 ALA CA C -4.523 -6.382 -2.507 1.00 . A A . 51 ALA CA 1 1 5 3697 1 1 51 ALA CB C -5.480 -6.643 -1.342 1.00 . A A . 51 ALA CB 1 1 5 3698 1 1 51 ALA H H -6.066 -5.286 -3.376 1.00 . A A . 51 ALA H 1 1 5 3699 1 1 51 ALA HA H -3.574 -6.024 -2.108 1.00 . A A . 51 ALA HA 1 1 5 3700 1 1 51 ALA HB1 H -5.822 -7.678 -1.377 1.00 . A A . 51 ALA HB1 1 1 5 3701 1 1 51 ALA HB2 H -4.963 -6.463 -0.400 1.00 . A A . 51 ALA HB2 1 1 5 3702 1 1 51 ALA HB3 H -6.338 -5.975 -1.420 1.00 . A A . 51 ALA HB3 1 1 5 3703 1 1 51 ALA N N -5.068 -5.338 -3.358 1.00 . A A . 51 ALA N 1 1 5 3704 1 1 51 ALA O O -5.211 -8.287 -3.796 1.00 . A A . 51 ALA O 1 1 5 3705 1 1 52 ALA C C -1.535 -9.887 -3.541 1.00 . A A . 52 ALA C 1 1 5 3706 1 1 52 ALA CA C -2.603 -9.104 -4.306 1.00 . A A . 52 ALA CA 1 1 5 3707 1 1 52 ALA CB C -2.123 -8.659 -5.688 1.00 . A A . 52 ALA CB 1 1 5 3708 1 1 52 ALA H H -2.233 -7.404 -3.159 1.00 . A A . 52 ALA H 1 1 5 3709 1 1 52 ALA HA H -3.486 -9.732 -4.426 1.00 . A A . 52 ALA HA 1 1 5 3710 1 1 52 ALA HB1 H -2.132 -9.511 -6.368 1.00 . A A . 52 ALA HB1 1 1 5 3711 1 1 52 ALA HB2 H -2.785 -7.882 -6.070 1.00 . A A . 52 ALA HB2 1 1 5 3712 1 1 52 ALA HB3 H -1.109 -8.266 -5.611 1.00 . A A . 52 ALA HB3 1 1 5 3713 1 1 52 ALA N N -2.993 -7.939 -3.529 1.00 . A A . 52 ALA N 1 1 5 3714 1 1 52 ALA O O -1.710 -11.071 -3.260 1.00 . A A . 52 ALA O 1 1 5 3715 2 2 1 NI NI NI 4.166 3.127 -7.498 1.00 . B A . 53 NI NI 1 1 6 3716 1 1 1 MET C C -5.164 -11.366 2.772 1.00 . A A . 1 MET C 1 1 6 3717 1 1 1 MET CA C -5.317 -12.861 2.487 1.00 . A A . 1 MET CA 1 1 6 3718 1 1 1 MET CB C -6.287 -13.062 1.322 1.00 . A A . 1 MET CB 1 1 6 3719 1 1 1 MET CE C -7.301 -15.852 -1.325 1.00 . A A . 1 MET CE 1 1 6 3720 1 1 1 MET CG C -6.081 -14.429 0.666 1.00 . A A . 1 MET CG 1 1 6 3721 1 1 1 MET H1 H -6.729 -13.953 3.561 1.00 . A A . 1 MET H1 1 1 6 3722 1 1 1 MET HA H -4.342 -13.299 2.272 1.00 . A A . 1 MET HA 1 1 6 3723 1 1 1 MET HB2 H -7.313 -12.978 1.679 1.00 . A A . 1 MET HB2 1 1 6 3724 1 1 1 MET HB3 H -6.142 -12.275 0.582 1.00 . A A . 1 MET HB3 1 1 6 3725 1 1 1 MET HE1 H -7.533 -16.294 -0.356 1.00 . A A . 1 MET HE1 1 1 6 3726 1 1 1 MET HE2 H -8.227 -15.653 -1.864 1.00 . A A . 1 MET HE2 1 1 6 3727 1 1 1 MET HE3 H -6.686 -16.543 -1.902 1.00 . A A . 1 MET HE3 1 1 6 3728 1 1 1 MET HG2 H -5.059 -14.770 0.831 1.00 . A A . 1 MET HG2 1 1 6 3729 1 1 1 MET HG3 H -6.740 -15.166 1.125 1.00 . A A . 1 MET HG3 1 1 6 3730 1 1 1 MET N N -5.812 -13.566 3.657 1.00 . A A . 1 MET N 1 1 6 3731 1 1 1 MET O O -6.111 -10.713 3.209 1.00 . A A . 1 MET O 1 1 6 3732 1 1 1 MET SD S -6.412 -14.323 -1.085 1.00 . A A . 1 MET SD 1 1 6 3733 1 1 2 LYS C C -2.467 -9.052 1.890 1.00 . A A . 2 LYS C 1 1 6 3734 1 1 2 LYS CA C -3.675 -9.460 2.735 1.00 . A A . 2 LYS CA 1 1 6 3735 1 1 2 LYS CB C -3.504 -9.178 4.229 1.00 . A A . 2 LYS CB 1 1 6 3736 1 1 2 LYS CD C -5.052 -7.190 4.110 1.00 . A A . 2 LYS CD 1 1 6 3737 1 1 2 LYS CE C -6.235 -7.327 3.149 1.00 . A A . 2 LYS CE 1 1 6 3738 1 1 2 LYS CG C -4.757 -8.518 4.810 1.00 . A A . 2 LYS CG 1 1 6 3739 1 1 2 LYS H H -3.200 -11.403 2.157 1.00 . A A . 2 LYS H 1 1 6 3740 1 1 2 LYS HA H -4.541 -8.890 2.397 1.00 . A A . 2 LYS HA 1 1 6 3741 1 1 2 LYS HB2 H -3.301 -10.109 4.758 1.00 . A A . 2 LYS HB2 1 1 6 3742 1 1 2 LYS HB3 H -2.642 -8.529 4.384 1.00 . A A . 2 LYS HB3 1 1 6 3743 1 1 2 LYS HD2 H -5.270 -6.423 4.853 1.00 . A A . 2 LYS HD2 1 1 6 3744 1 1 2 LYS HD3 H -4.170 -6.861 3.561 1.00 . A A . 2 LYS HD3 1 1 6 3745 1 1 2 LYS HE2 H -5.927 -7.050 2.141 1.00 . A A . 2 LYS HE2 1 1 6 3746 1 1 2 LYS HE3 H -6.559 -8.367 3.108 1.00 . A A . 2 LYS HE3 1 1 6 3747 1 1 2 LYS HG2 H -5.610 -9.189 4.699 1.00 . A A . 2 LYS HG2 1 1 6 3748 1 1 2 LYS HG3 H -4.621 -8.348 5.878 1.00 . A A . 2 LYS HG3 1 1 6 3749 1 1 2 LYS HZ1 H -7.087 -5.494 3.654 1.00 . A A . 2 LYS HZ1 1 1 6 3750 1 1 2 LYS HZ3 H -7.713 -6.739 4.495 1.00 . A A . 2 LYS HZ3 1 1 6 3751 1 1 2 LYS N N -3.964 -10.866 2.512 1.00 . A A . 2 LYS N 1 1 6 3752 1 1 2 LYS NZ N -7.359 -6.468 3.585 1.00 . A A . 2 LYS NZ 1 1 6 3753 1 1 2 LYS O O -2.063 -9.781 0.985 1.00 . A A . 2 LYS O 1 1 6 3754 1 1 3 LYS C C -1.189 -6.980 0.081 1.00 . A A . 3 LYS C 1 1 6 3755 1 1 3 LYS CA C -0.769 -7.375 1.498 1.00 . A A . 3 LYS CA 1 1 6 3756 1 1 3 LYS CB C 0.381 -8.384 1.540 1.00 . A A . 3 LYS CB 1 1 6 3757 1 1 3 LYS CD C 1.724 -7.597 3.524 1.00 . A A . 3 LYS CD 1 1 6 3758 1 1 3 LYS CE C 3.141 -8.138 3.725 1.00 . A A . 3 LYS CE 1 1 6 3759 1 1 3 LYS CG C 0.794 -8.684 2.982 1.00 . A A . 3 LYS CG 1 1 6 3760 1 1 3 LYS H H -2.258 -7.301 2.953 1.00 . A A . 3 LYS H 1 1 6 3761 1 1 3 LYS HA H -0.431 -6.480 2.020 1.00 . A A . 3 LYS HA 1 1 6 3762 1 1 3 LYS HB2 H 0.078 -9.306 1.045 1.00 . A A . 3 LYS HB2 1 1 6 3763 1 1 3 LYS HB3 H 1.234 -7.991 0.988 1.00 . A A . 3 LYS HB3 1 1 6 3764 1 1 3 LYS HD2 H 1.747 -6.755 2.832 1.00 . A A . 3 LYS HD2 1 1 6 3765 1 1 3 LYS HD3 H 1.337 -7.221 4.471 1.00 . A A . 3 LYS HD3 1 1 6 3766 1 1 3 LYS HE2 H 3.304 -8.366 4.778 1.00 . A A . 3 LYS HE2 1 1 6 3767 1 1 3 LYS HE3 H 3.262 -9.072 3.175 1.00 . A A . 3 LYS HE3 1 1 6 3768 1 1 3 LYS HG2 H -0.094 -8.755 3.611 1.00 . A A . 3 LYS HG2 1 1 6 3769 1 1 3 LYS HG3 H 1.294 -9.652 3.027 1.00 . A A . 3 LYS HG3 1 1 6 3770 1 1 3 LYS HZ1 H 5.057 -7.570 3.135 1.00 . A A . 3 LYS HZ1 1 1 6 3771 1 1 3 LYS HZ3 H 4.258 -6.390 3.924 1.00 . A A . 3 LYS HZ3 1 1 6 3772 1 1 3 LYS N N -1.923 -7.888 2.216 1.00 . A A . 3 LYS N 1 1 6 3773 1 1 3 LYS NZ N 4.143 -7.151 3.264 1.00 . A A . 3 LYS NZ 1 1 6 3774 1 1 3 LYS O O -1.680 -7.812 -0.679 1.00 . A A . 3 LYS O 1 1 6 3775 1 1 4 TYR C C -0.080 -4.791 -2.327 1.00 . A A . 4 TYR C 1 1 6 3776 1 1 4 TYR CA C -1.331 -5.194 -1.544 1.00 . A A . 4 TYR CA 1 1 6 3777 1 1 4 TYR CB C -2.185 -3.949 -1.293 1.00 . A A . 4 TYR CB 1 1 6 3778 1 1 4 TYR CD1 C -2.169 -3.587 1.202 1.00 . A A . 4 TYR CD1 1 1 6 3779 1 1 4 TYR CD2 C -4.214 -4.267 0.169 1.00 . A A . 4 TYR CD2 1 1 6 3780 1 1 4 TYR CE1 C -2.822 -3.573 2.485 1.00 . A A . 4 TYR CE1 1 1 6 3781 1 1 4 TYR CE2 C -4.867 -4.253 1.452 1.00 . A A . 4 TYR CE2 1 1 6 3782 1 1 4 TYR CG C -2.879 -3.934 0.070 1.00 . A A . 4 TYR CG 1 1 6 3783 1 1 4 TYR CZ C -4.139 -3.907 2.547 1.00 . A A . 4 TYR CZ 1 1 6 3784 1 1 4 TYR H H -0.580 -5.038 0.393 1.00 . A A . 4 TYR H 1 1 6 3785 1 1 4 TYR HA H -1.852 -5.982 -2.087 1.00 . A A . 4 TYR HA 1 1 6 3786 1 1 4 TYR HB2 H -1.553 -3.065 -1.378 1.00 . A A . 4 TYR HB2 1 1 6 3787 1 1 4 TYR HB3 H -2.941 -3.876 -2.075 1.00 . A A . 4 TYR HB3 1 1 6 3788 1 1 4 TYR HD1 H -1.114 -3.324 1.124 1.00 . A A . 4 TYR HD1 1 1 6 3789 1 1 4 TYR HD2 H -4.775 -4.541 -0.725 1.00 . A A . 4 TYR HD2 1 1 6 3790 1 1 4 TYR HE1 H -2.273 -3.301 3.387 1.00 . A A . 4 TYR HE1 1 1 6 3791 1 1 4 TYR HE2 H -5.921 -4.514 1.544 1.00 . A A . 4 TYR HE2 1 1 6 3792 1 1 4 TYR HH H -5.329 -4.706 3.859 1.00 . A A . 4 TYR HH 1 1 6 3793 1 1 4 TYR N N -0.980 -5.709 -0.231 1.00 . A A . 4 TYR N 1 1 6 3794 1 1 4 TYR O O 1.040 -5.070 -1.902 1.00 . A A . 4 TYR O 1 1 6 3795 1 1 4 TYR OH O -4.755 -3.894 3.759 1.00 . A A . 4 TYR OH 1 1 6 3796 1 1 5 VAL C C 0.302 -2.541 -5.186 1.00 . A A . 5 VAL C 1 1 6 3797 1 1 5 VAL CA C 0.781 -3.696 -4.304 1.00 . A A . 5 VAL CA 1 1 6 3798 1 1 5 VAL CB C 1.332 -4.874 -5.109 1.00 . A A . 5 VAL CB 1 1 6 3799 1 1 5 VAL CG1 C 2.283 -4.392 -6.207 1.00 . A A . 5 VAL CG1 1 1 6 3800 1 1 5 VAL CG2 C 2.020 -5.889 -4.195 1.00 . A A . 5 VAL CG2 1 1 6 3801 1 1 5 VAL H H -1.227 -3.916 -3.796 1.00 . A A . 5 VAL H 1 1 6 3802 1 1 5 VAL HA H 1.575 -3.332 -3.652 1.00 . A A . 5 VAL HA 1 1 6 3803 1 1 5 VAL HB H 0.491 -5.374 -5.590 1.00 . A A . 5 VAL HB 1 1 6 3804 1 1 5 VAL HG11 H 2.615 -5.244 -6.800 1.00 . A A . 5 VAL HG11 1 1 6 3805 1 1 5 VAL HG12 H 1.764 -3.681 -6.850 1.00 . A A . 5 VAL HG12 1 1 6 3806 1 1 5 VAL HG13 H 3.146 -3.907 -5.752 1.00 . A A . 5 VAL HG13 1 1 6 3807 1 1 5 VAL HG21 H 2.699 -5.368 -3.519 1.00 . A A . 5 VAL HG21 1 1 6 3808 1 1 5 VAL HG22 H 1.268 -6.423 -3.614 1.00 . A A . 5 VAL HG22 1 1 6 3809 1 1 5 VAL HG23 H 2.584 -6.600 -4.799 1.00 . A A . 5 VAL HG23 1 1 6 3810 1 1 5 VAL N N -0.313 -4.140 -3.458 1.00 . A A . 5 VAL N 1 1 6 3811 1 1 5 VAL O O -0.899 -2.373 -5.397 1.00 . A A . 5 VAL O 1 1 6 3812 1 1 6 CYS C C 0.864 -1.139 -7.977 1.00 . A A . 6 CYS C 1 1 6 3813 1 1 6 CYS CA C 0.955 -0.641 -6.533 1.00 . A A . 6 CYS CA 1 1 6 3814 1 1 6 CYS CB C 1.984 0.480 -6.379 1.00 . A A . 6 CYS CB 1 1 6 3815 1 1 6 CYS H H 2.238 -1.919 -5.502 1.00 . A A . 6 CYS H 1 1 6 3816 1 1 6 CYS HA H -0.005 -0.249 -6.198 1.00 . A A . 6 CYS HA 1 1 6 3817 1 1 6 CYS HB2 H 1.787 1.010 -5.447 1.00 . A A . 6 CYS HB2 1 1 6 3818 1 1 6 CYS HB3 H 2.975 0.035 -6.289 1.00 . A A . 6 CYS HB3 1 1 6 3819 1 1 6 CYS N N 1.264 -1.775 -5.678 1.00 . A A . 6 CYS N 1 1 6 3820 1 1 6 CYS O O 1.678 -1.954 -8.409 1.00 . A A . 6 CYS O 1 1 6 3821 1 1 6 CYS SG S 2.009 1.692 -7.750 1.00 . A A . 6 CYS SG 1 1 6 3822 1 1 7 THR C C 0.662 -0.291 -10.977 1.00 . A A . 7 THR C 1 1 6 3823 1 1 7 THR CA C -0.340 -1.009 -10.070 1.00 . A A . 7 THR CA 1 1 6 3824 1 1 7 THR CB C -1.799 -0.719 -10.427 1.00 . A A . 7 THR CB 1 1 6 3825 1 1 7 THR CG2 C -2.779 -1.304 -9.408 1.00 . A A . 7 THR CG2 1 1 6 3826 1 1 7 THR H H -0.790 0.036 -8.325 1.00 . A A . 7 THR H 1 1 6 3827 1 1 7 THR HA H -0.148 -2.078 -10.165 1.00 . A A . 7 THR HA 1 1 6 3828 1 1 7 THR HB H -2.030 -1.067 -11.434 1.00 . A A . 7 THR HB 1 1 6 3829 1 1 7 THR HG1 H -2.187 0.901 -9.317 1.00 . A A . 7 THR HG1 1 1 6 3830 1 1 7 THR HG21 H -3.660 -0.665 -9.343 1.00 . A A . 7 THR HG21 1 1 6 3831 1 1 7 THR HG22 H -3.078 -2.304 -9.724 1.00 . A A . 7 THR HG22 1 1 6 3832 1 1 7 THR HG23 H -2.298 -1.360 -8.432 1.00 . A A . 7 THR HG23 1 1 6 3833 1 1 7 THR N N -0.133 -0.627 -8.684 1.00 . A A . 7 THR N 1 1 6 3834 1 1 7 THR O O 1.113 -0.851 -11.975 1.00 . A A . 7 THR O 1 1 6 3835 1 1 7 THR OG1 O -1.924 0.691 -10.259 1.00 . A A . 7 THR OG1 1 1 6 3836 1 1 8 VAL C C 3.301 1.081 -11.314 1.00 . A A . 8 VAL C 1 1 6 3837 1 1 8 VAL CA C 1.920 1.738 -11.364 1.00 . A A . 8 VAL CA 1 1 6 3838 1 1 8 VAL CB C 1.924 3.178 -10.847 1.00 . A A . 8 VAL CB 1 1 6 3839 1 1 8 VAL CG1 C 2.758 4.084 -11.755 1.00 . A A . 8 VAL CG1 1 1 6 3840 1 1 8 VAL CG2 C 0.497 3.712 -10.701 1.00 . A A . 8 VAL CG2 1 1 6 3841 1 1 8 VAL H H 0.608 1.386 -9.784 1.00 . A A . 8 VAL H 1 1 6 3842 1 1 8 VAL HA H 1.574 1.751 -12.397 1.00 . A A . 8 VAL HA 1 1 6 3843 1 1 8 VAL HB H 2.384 3.179 -9.859 1.00 . A A . 8 VAL HB 1 1 6 3844 1 1 8 VAL HG11 H 2.668 5.117 -11.419 1.00 . A A . 8 VAL HG11 1 1 6 3845 1 1 8 VAL HG12 H 3.803 3.778 -11.712 1.00 . A A . 8 VAL HG12 1 1 6 3846 1 1 8 VAL HG13 H 2.397 4.003 -12.780 1.00 . A A . 8 VAL HG13 1 1 6 3847 1 1 8 VAL HG21 H -0.082 3.446 -11.585 1.00 . A A . 8 VAL HG21 1 1 6 3848 1 1 8 VAL HG22 H 0.034 3.274 -9.817 1.00 . A A . 8 VAL HG22 1 1 6 3849 1 1 8 VAL HG23 H 0.524 4.797 -10.597 1.00 . A A . 8 VAL HG23 1 1 6 3850 1 1 8 VAL N N 0.980 0.938 -10.597 1.00 . A A . 8 VAL N 1 1 6 3851 1 1 8 VAL O O 3.677 0.348 -12.227 1.00 . A A . 8 VAL O 1 1 6 3852 1 1 9 CYS C C 5.218 -0.533 -9.345 1.00 . A A . 9 CYS C 1 1 6 3853 1 1 9 CYS CA C 5.350 0.815 -10.057 1.00 . A A . 9 CYS CA 1 1 6 3854 1 1 9 CYS CB C 6.264 1.776 -9.295 1.00 . A A . 9 CYS CB 1 1 6 3855 1 1 9 CYS H H 3.706 1.966 -9.500 1.00 . A A . 9 CYS H 1 1 6 3856 1 1 9 CYS HA H 5.774 0.686 -11.053 1.00 . A A . 9 CYS HA 1 1 6 3857 1 1 9 CYS HB2 H 7.301 1.517 -9.509 1.00 . A A . 9 CYS HB2 1 1 6 3858 1 1 9 CYS HB3 H 6.103 2.786 -9.674 1.00 . A A . 9 CYS HB3 1 1 6 3859 1 1 9 CYS N N 4.019 1.368 -10.238 1.00 . A A . 9 CYS N 1 1 6 3860 1 1 9 CYS O O 5.731 -1.544 -9.821 1.00 . A A . 9 CYS O 1 1 6 3861 1 1 9 CYS SG S 6.024 1.786 -7.481 1.00 . A A . 9 CYS SG 1 1 6 3862 1 1 10 GLY C C 5.272 -1.756 -6.235 1.00 . A A . 10 GLY C 1 1 6 3863 1 1 10 GLY CA C 4.320 -1.709 -7.432 1.00 . A A . 10 GLY CA 1 1 6 3864 1 1 10 GLY H H 4.113 0.324 -7.834 1.00 . A A . 10 GLY H 1 1 6 3865 1 1 10 GLY HA2 H 3.289 -1.748 -7.082 1.00 . A A . 10 GLY HA2 1 1 6 3866 1 1 10 GLY HA3 H 4.477 -2.586 -8.060 1.00 . A A . 10 GLY HA3 1 1 6 3867 1 1 10 GLY N N 4.527 -0.503 -8.215 1.00 . A A . 10 GLY N 1 1 6 3868 1 1 10 GLY O O 6.435 -2.131 -6.376 1.00 . A A . 10 GLY O 1 1 6 3869 1 1 11 TYR C C 4.766 -2.016 -2.712 1.00 . A A . 11 TYR C 1 1 6 3870 1 1 11 TYR CA C 5.532 -1.361 -3.863 1.00 . A A . 11 TYR CA 1 1 6 3871 1 1 11 TYR CB C 5.773 0.112 -3.525 1.00 . A A . 11 TYR CB 1 1 6 3872 1 1 11 TYR CD1 C 7.410 -0.202 -1.634 1.00 . A A . 11 TYR CD1 1 1 6 3873 1 1 11 TYR CD2 C 5.463 1.127 -1.239 1.00 . A A . 11 TYR CD2 1 1 6 3874 1 1 11 TYR CE1 C 7.840 0.026 -0.278 1.00 . A A . 11 TYR CE1 1 1 6 3875 1 1 11 TYR CE2 C 5.893 1.355 0.117 1.00 . A A . 11 TYR CE2 1 1 6 3876 1 1 11 TYR CG C 6.231 0.353 -2.086 1.00 . A A . 11 TYR CG 1 1 6 3877 1 1 11 TYR CZ C 7.061 0.793 0.530 1.00 . A A . 11 TYR CZ 1 1 6 3878 1 1 11 TYR H H 3.797 -1.064 -4.977 1.00 . A A . 11 TYR H 1 1 6 3879 1 1 11 TYR HA H 6.445 -1.925 -4.049 1.00 . A A . 11 TYR HA 1 1 6 3880 1 1 11 TYR HB2 H 6.525 0.511 -4.206 1.00 . A A . 11 TYR HB2 1 1 6 3881 1 1 11 TYR HB3 H 4.854 0.670 -3.703 1.00 . A A . 11 TYR HB3 1 1 6 3882 1 1 11 TYR HD1 H 8.016 -0.813 -2.303 1.00 . A A . 11 TYR HD1 1 1 6 3883 1 1 11 TYR HD2 H 4.531 1.566 -1.596 1.00 . A A . 11 TYR HD2 1 1 6 3884 1 1 11 TYR HE1 H 8.770 -0.407 0.091 1.00 . A A . 11 TYR HE1 1 1 6 3885 1 1 11 TYR HE2 H 5.297 1.964 0.796 1.00 . A A . 11 TYR HE2 1 1 6 3886 1 1 11 TYR HH H 8.388 1.397 1.815 1.00 . A A . 11 TYR HH 1 1 6 3887 1 1 11 TYR N N 4.743 -1.368 -5.083 1.00 . A A . 11 TYR N 1 1 6 3888 1 1 11 TYR O O 4.137 -1.329 -1.909 1.00 . A A . 11 TYR O 1 1 6 3889 1 1 11 TYR OH O 7.467 1.008 1.810 1.00 . A A . 11 TYR OH 1 1 6 3890 1 1 12 GLU C C 4.190 -3.321 -0.308 1.00 . A A . 12 GLU C 1 1 6 3891 1 1 12 GLU CA C 4.166 -4.094 -1.628 1.00 . A A . 12 GLU CA 1 1 6 3892 1 1 12 GLU CB C 4.791 -5.481 -1.463 1.00 . A A . 12 GLU CB 1 1 6 3893 1 1 12 GLU CD C 4.644 -7.695 -0.264 1.00 . A A . 12 GLU CD 1 1 6 3894 1 1 12 GLU CG C 4.067 -6.282 -0.379 1.00 . A A . 12 GLU CG 1 1 6 3895 1 1 12 GLU H H 5.358 -3.890 -3.325 1.00 . A A . 12 GLU H 1 1 6 3896 1 1 12 GLU HA H 3.138 -4.204 -1.974 1.00 . A A . 12 GLU HA 1 1 6 3897 1 1 12 GLU HB2 H 4.745 -6.020 -2.410 1.00 . A A . 12 GLU HB2 1 1 6 3898 1 1 12 GLU HB3 H 5.845 -5.381 -1.204 1.00 . A A . 12 GLU HB3 1 1 6 3899 1 1 12 GLU HE2 H 6.407 -7.067 -0.055 1.00 . A A . 12 GLU HE2 1 1 6 3900 1 1 12 GLU HG2 H 4.158 -5.770 0.579 1.00 . A A . 12 GLU HG2 1 1 6 3901 1 1 12 GLU HG3 H 3.004 -6.338 -0.611 1.00 . A A . 12 GLU HG3 1 1 6 3902 1 1 12 GLU N N 4.844 -3.338 -2.668 1.00 . A A . 12 GLU N 1 1 6 3903 1 1 12 GLU O O 5.259 -3.041 0.231 1.00 . A A . 12 GLU O 1 1 6 3904 1 1 12 GLU OE1 O 4.009 -8.662 -0.710 1.00 . A A . 12 GLU OE1 1 1 6 3905 1 1 12 GLU OE2 O 5.796 -7.768 0.312 1.00 . A A . 12 GLU OE2 1 1 6 3906 1 1 13 TYR C C 2.781 -3.217 2.612 1.00 . A A . 13 TYR C 1 1 6 3907 1 1 13 TYR CA C 2.870 -2.263 1.420 1.00 . A A . 13 TYR CA 1 1 6 3908 1 1 13 TYR CB C 1.562 -1.477 1.312 1.00 . A A . 13 TYR CB 1 1 6 3909 1 1 13 TYR CD1 C 1.663 0.126 3.256 1.00 . A A . 13 TYR CD1 1 1 6 3910 1 1 13 TYR CD2 C -0.048 -1.543 3.252 1.00 . A A . 13 TYR CD2 1 1 6 3911 1 1 13 TYR CE1 C 1.174 0.624 4.515 1.00 . A A . 13 TYR CE1 1 1 6 3912 1 1 13 TYR CE2 C -0.537 -1.045 4.511 1.00 . A A . 13 TYR CE2 1 1 6 3913 1 1 13 TYR CG C 1.042 -0.947 2.650 1.00 . A A . 13 TYR CG 1 1 6 3914 1 1 13 TYR CZ C 0.098 0.014 5.081 1.00 . A A . 13 TYR CZ 1 1 6 3915 1 1 13 TYR H H 2.134 -3.230 -0.272 1.00 . A A . 13 TYR H 1 1 6 3916 1 1 13 TYR HA H 3.753 -1.634 1.532 1.00 . A A . 13 TYR HA 1 1 6 3917 1 1 13 TYR HB2 H 1.709 -0.636 0.633 1.00 . A A . 13 TYR HB2 1 1 6 3918 1 1 13 TYR HB3 H 0.801 -2.117 0.866 1.00 . A A . 13 TYR HB3 1 1 6 3919 1 1 13 TYR HD1 H 2.524 0.596 2.781 1.00 . A A . 13 TYR HD1 1 1 6 3920 1 1 13 TYR HD2 H -0.539 -2.391 2.773 1.00 . A A . 13 TYR HD2 1 1 6 3921 1 1 13 TYR HE1 H 1.655 1.471 5.005 1.00 . A A . 13 TYR HE1 1 1 6 3922 1 1 13 TYR HE2 H -1.397 -1.506 4.997 1.00 . A A . 13 TYR HE2 1 1 6 3923 1 1 13 TYR HH H -0.077 -0.121 7.012 1.00 . A A . 13 TYR HH 1 1 6 3924 1 1 13 TYR N N 2.999 -2.998 0.173 1.00 . A A . 13 TYR N 1 1 6 3925 1 1 13 TYR O O 2.210 -4.301 2.504 1.00 . A A . 13 TYR O 1 1 6 3926 1 1 13 TYR OH O -0.364 0.484 6.270 1.00 . A A . 13 TYR OH 1 1 6 3927 1 1 14 ASP C C 2.393 -2.951 5.953 1.00 . A A . 14 ASP C 1 1 6 3928 1 1 14 ASP CA C 3.347 -3.581 4.936 1.00 . A A . 14 ASP CA 1 1 6 3929 1 1 14 ASP CB C 4.740 -3.638 5.566 1.00 . A A . 14 ASP CB 1 1 6 3930 1 1 14 ASP CG C 5.727 -2.588 5.052 1.00 . A A . 14 ASP CG 1 1 6 3931 1 1 14 ASP H H 3.817 -1.896 3.804 1.00 . A A . 14 ASP H 1 1 6 3932 1 1 14 ASP HA H 3.025 -4.573 4.621 1.00 . A A . 14 ASP HA 1 1 6 3933 1 1 14 ASP HB2 H 4.639 -3.522 6.645 1.00 . A A . 14 ASP HB2 1 1 6 3934 1 1 14 ASP HB3 H 5.162 -4.628 5.390 1.00 . A A . 14 ASP HB3 1 1 6 3935 1 1 14 ASP HD2 H 7.406 -3.371 5.388 1.00 . A A . 14 ASP HD2 1 1 6 3936 1 1 14 ASP N N 3.355 -2.779 3.724 1.00 . A A . 14 ASP N 1 1 6 3937 1 1 14 ASP O O 2.710 -1.925 6.553 1.00 . A A . 14 ASP O 1 1 6 3938 1 1 14 ASP OD1 O 5.439 -1.382 5.063 1.00 . A A . 14 ASP OD1 1 1 6 3939 1 1 14 ASP OD2 O 6.848 -3.058 4.620 1.00 . A A . 14 ASP OD2 1 1 6 3940 1 1 15 PRO C C 0.621 -3.420 8.497 1.00 . A A . 15 PRO C 1 1 6 3941 1 1 15 PRO CA C 0.213 -3.124 7.053 1.00 . A A . 15 PRO CA 1 1 6 3942 1 1 15 PRO CB C -1.075 -3.821 6.645 1.00 . A A . 15 PRO CB 1 1 6 3943 1 1 15 PRO CD C 0.806 -4.826 5.424 1.00 . A A . 15 PRO CD 1 1 6 3944 1 1 15 PRO CG C -0.655 -5.014 5.802 1.00 . A A . 15 PRO CG 1 1 6 3945 1 1 15 PRO HA H 0.132 -2.129 6.990 1.00 . A A . 15 PRO HA 1 1 6 3946 1 1 15 PRO HB2 H -1.640 -4.141 7.520 1.00 . A A . 15 PRO HB2 1 1 6 3947 1 1 15 PRO HB3 H -1.720 -3.149 6.078 1.00 . A A . 15 PRO HB3 1 1 6 3948 1 1 15 PRO HD2 H 1.408 -5.680 5.735 1.00 . A A . 15 PRO HD2 1 1 6 3949 1 1 15 PRO HD3 H 0.926 -4.726 4.346 1.00 . A A . 15 PRO HD3 1 1 6 3950 1 1 15 PRO HG2 H -0.789 -5.941 6.359 1.00 . A A . 15 PRO HG2 1 1 6 3951 1 1 15 PRO HG3 H -1.274 -5.086 4.908 1.00 . A A . 15 PRO HG3 1 1 6 3952 1 1 15 PRO N N 1.215 -3.608 6.119 1.00 . A A . 15 PRO N 1 1 6 3953 1 1 15 PRO O O 0.314 -2.647 9.404 1.00 . A A . 15 PRO O 1 1 6 3954 1 1 16 ALA C C 2.946 -4.075 10.405 1.00 . A A . 16 ALA C 1 1 6 3955 1 1 16 ALA CA C 1.761 -4.948 9.986 1.00 . A A . 16 ALA CA 1 1 6 3956 1 1 16 ALA CB C 2.111 -6.437 9.968 1.00 . A A . 16 ALA CB 1 1 6 3957 1 1 16 ALA H H 1.553 -5.163 7.924 1.00 . A A . 16 ALA H 1 1 6 3958 1 1 16 ALA HA H 0.938 -4.789 10.683 1.00 . A A . 16 ALA HA 1 1 6 3959 1 1 16 ALA HB1 H 1.759 -6.882 9.037 1.00 . A A . 16 ALA HB1 1 1 6 3960 1 1 16 ALA HB2 H 3.192 -6.557 10.042 1.00 . A A . 16 ALA HB2 1 1 6 3961 1 1 16 ALA HB3 H 1.631 -6.933 10.812 1.00 . A A . 16 ALA HB3 1 1 6 3962 1 1 16 ALA N N 1.307 -4.540 8.667 1.00 . A A . 16 ALA N 1 1 6 3963 1 1 16 ALA O O 3.343 -4.080 11.569 1.00 . A A . 16 ALA O 1 1 6 3964 1 1 17 GLU C C 4.146 -1.015 9.759 1.00 . A A . 17 GLU C 1 1 6 3965 1 1 17 GLU CA C 4.608 -2.472 9.687 1.00 . A A . 17 GLU CA 1 1 6 3966 1 1 17 GLU CB C 5.691 -2.652 8.621 1.00 . A A . 17 GLU CB 1 1 6 3967 1 1 17 GLU CD C 7.943 -3.410 9.464 1.00 . A A . 17 GLU CD 1 1 6 3968 1 1 17 GLU CG C 7.056 -2.205 9.146 1.00 . A A . 17 GLU CG 1 1 6 3969 1 1 17 GLU H H 3.147 -3.350 8.489 1.00 . A A . 17 GLU H 1 1 6 3970 1 1 17 GLU HA H 5.004 -2.783 10.654 1.00 . A A . 17 GLU HA 1 1 6 3971 1 1 17 GLU HB2 H 5.738 -3.698 8.319 1.00 . A A . 17 GLU HB2 1 1 6 3972 1 1 17 GLU HB3 H 5.431 -2.075 7.733 1.00 . A A . 17 GLU HB3 1 1 6 3973 1 1 17 GLU HE2 H 8.600 -5.008 8.714 1.00 . A A . 17 GLU HE2 1 1 6 3974 1 1 17 GLU HG2 H 7.546 -1.574 8.404 1.00 . A A . 17 GLU HG2 1 1 6 3975 1 1 17 GLU HG3 H 6.925 -1.599 10.042 1.00 . A A . 17 GLU HG3 1 1 6 3976 1 1 17 GLU N N 3.477 -3.348 9.433 1.00 . A A . 17 GLU N 1 1 6 3977 1 1 17 GLU O O 4.376 -0.336 10.758 1.00 . A A . 17 GLU O 1 1 6 3978 1 1 17 GLU OE1 O 8.231 -3.675 10.641 1.00 . A A . 17 GLU OE1 1 1 6 3979 1 1 17 GLU OE2 O 8.336 -4.084 8.437 1.00 . A A . 17 GLU OE2 1 1 6 3980 1 1 18 GLY C C 3.612 1.527 7.421 1.00 . A A . 18 GLY C 1 1 6 3981 1 1 18 GLY CA C 3.007 0.785 8.614 1.00 . A A . 18 GLY CA 1 1 6 3982 1 1 18 GLY H H 3.320 -1.137 7.877 1.00 . A A . 18 GLY H 1 1 6 3983 1 1 18 GLY HA2 H 1.920 0.777 8.529 1.00 . A A . 18 GLY HA2 1 1 6 3984 1 1 18 GLY HA3 H 3.249 1.313 9.537 1.00 . A A . 18 GLY HA3 1 1 6 3985 1 1 18 GLY N N 3.503 -0.578 8.686 1.00 . A A . 18 GLY N 1 1 6 3986 1 1 18 GLY O O 3.652 0.998 6.312 1.00 . A A . 18 GLY O 1 1 6 3987 1 1 19 ASP C C 5.169 4.871 7.268 1.00 . A A . 19 ASP C 1 1 6 3988 1 1 19 ASP CA C 4.669 3.562 6.652 1.00 . A A . 19 ASP CA 1 1 6 3989 1 1 19 ASP CB C 3.650 3.910 5.566 1.00 . A A . 19 ASP CB 1 1 6 3990 1 1 19 ASP CG C 4.211 3.952 4.143 1.00 . A A . 19 ASP CG 1 1 6 3991 1 1 19 ASP H H 4.031 3.166 8.595 1.00 . A A . 19 ASP H 1 1 6 3992 1 1 19 ASP HA H 5.479 2.958 6.243 1.00 . A A . 19 ASP HA 1 1 6 3993 1 1 19 ASP HB2 H 2.841 3.181 5.600 1.00 . A A . 19 ASP HB2 1 1 6 3994 1 1 19 ASP HB3 H 3.213 4.882 5.796 1.00 . A A . 19 ASP HB3 1 1 6 3995 1 1 19 ASP HD2 H 5.387 5.423 4.154 1.00 . A A . 19 ASP HD2 1 1 6 3996 1 1 19 ASP N N 4.068 2.742 7.690 1.00 . A A . 19 ASP N 1 1 6 3997 1 1 19 ASP O O 4.372 5.727 7.647 1.00 . A A . 19 ASP O 1 1 6 3998 1 1 19 ASP OD1 O 4.331 2.916 3.473 1.00 . A A . 19 ASP OD1 1 1 6 3999 1 1 19 ASP OD2 O 4.537 5.127 3.719 1.00 . A A . 19 ASP OD2 1 1 6 4000 1 1 20 PRO C C 7.062 7.349 6.935 1.00 . A A . 20 PRO C 1 1 6 4001 1 1 20 PRO CA C 7.137 6.176 7.915 1.00 . A A . 20 PRO CA 1 1 6 4002 1 1 20 PRO CB C 8.564 5.765 8.240 1.00 . A A . 20 PRO CB 1 1 6 4003 1 1 20 PRO CD C 7.497 3.993 6.913 1.00 . A A . 20 PRO CD 1 1 6 4004 1 1 20 PRO CG C 8.832 4.510 7.424 1.00 . A A . 20 PRO CG 1 1 6 4005 1 1 20 PRO HA H 6.641 6.470 8.731 1.00 . A A . 20 PRO HA 1 1 6 4006 1 1 20 PRO HB2 H 9.268 6.556 7.981 1.00 . A A . 20 PRO HB2 1 1 6 4007 1 1 20 PRO HB3 H 8.681 5.570 9.306 1.00 . A A . 20 PRO HB3 1 1 6 4008 1 1 20 PRO HD2 H 7.501 3.894 5.827 1.00 . A A . 20 PRO HD2 1 1 6 4009 1 1 20 PRO HD3 H 7.270 3.009 7.322 1.00 . A A . 20 PRO HD3 1 1 6 4010 1 1 20 PRO HG2 H 9.500 4.731 6.592 1.00 . A A . 20 PRO HG2 1 1 6 4011 1 1 20 PRO HG3 H 9.324 3.755 8.037 1.00 . A A . 20 PRO HG3 1 1 6 4012 1 1 20 PRO N N 6.522 4.987 7.351 1.00 . A A . 20 PRO N 1 1 6 4013 1 1 20 PRO O O 6.878 8.494 7.345 1.00 . A A . 20 PRO O 1 1 6 4014 1 1 21 ASP C C 6.098 9.077 4.975 1.00 . A A . 21 ASP C 1 1 6 4015 1 1 21 ASP CA C 7.160 8.035 4.618 1.00 . A A . 21 ASP CA 1 1 6 4016 1 1 21 ASP CB C 6.783 7.420 3.268 1.00 . A A . 21 ASP CB 1 1 6 4017 1 1 21 ASP CG C 7.305 8.175 2.045 1.00 . A A . 21 ASP CG 1 1 6 4018 1 1 21 ASP H H 7.358 6.089 5.334 1.00 . A A . 21 ASP H 1 1 6 4019 1 1 21 ASP HA H 8.163 8.458 4.582 1.00 . A A . 21 ASP HA 1 1 6 4020 1 1 21 ASP HB2 H 7.161 6.398 3.234 1.00 . A A . 21 ASP HB2 1 1 6 4021 1 1 21 ASP HB3 H 5.697 7.360 3.204 1.00 . A A . 21 ASP HB3 1 1 6 4022 1 1 21 ASP HD2 H 8.912 8.687 1.207 1.00 . A A . 21 ASP HD2 1 1 6 4023 1 1 21 ASP N N 7.209 7.023 5.659 1.00 . A A . 21 ASP N 1 1 6 4024 1 1 21 ASP O O 6.335 10.278 4.851 1.00 . A A . 21 ASP O 1 1 6 4025 1 1 21 ASP OD1 O 6.577 8.962 1.421 1.00 . A A . 21 ASP OD1 1 1 6 4026 1 1 21 ASP OD2 O 8.531 7.926 1.732 1.00 . A A . 21 ASP OD2 1 1 6 4027 1 1 22 ASN C C 3.704 9.455 7.309 1.00 . A A . 22 ASN C 1 1 6 4028 1 1 22 ASN CA C 3.850 9.453 5.786 1.00 . A A . 22 ASN CA 1 1 6 4029 1 1 22 ASN CB C 2.530 8.966 5.186 1.00 . A A . 22 ASN CB 1 1 6 4030 1 1 22 ASN CG C 2.411 9.379 3.717 1.00 . A A . 22 ASN CG 1 1 6 4031 1 1 22 ASN H H 4.765 7.602 5.508 1.00 . A A . 22 ASN H 1 1 6 4032 1 1 22 ASN HA H 4.116 10.433 5.391 1.00 . A A . 22 ASN HA 1 1 6 4033 1 1 22 ASN HB2 H 2.467 7.881 5.268 1.00 . A A . 22 ASN HB2 1 1 6 4034 1 1 22 ASN HB3 H 1.695 9.378 5.752 1.00 . A A . 22 ASN HB3 1 1 6 4035 1 1 22 ASN HD21 H 3.887 8.065 3.277 1.00 . A A . 22 ASN HD21 1 1 6 4036 1 1 22 ASN HD22 H 3.251 8.945 1.927 1.00 . A A . 22 ASN HD22 1 1 6 4037 1 1 22 ASN N N 4.949 8.580 5.410 1.00 . A A . 22 ASN N 1 1 6 4038 1 1 22 ASN ND2 N 3.252 8.744 2.907 1.00 . A A . 22 ASN ND2 1 1 6 4039 1 1 22 ASN O O 3.402 10.487 7.906 1.00 . A A . 22 ASN O 1 1 6 4040 1 1 22 ASN OD1 O 1.607 10.218 3.345 1.00 . A A . 22 ASN OD1 1 1 6 4041 1 1 23 GLY C C 2.662 7.219 9.713 1.00 . A A . 23 GLY C 1 1 6 4042 1 1 23 GLY CA C 3.823 8.142 9.337 1.00 . A A . 23 GLY CA 1 1 6 4043 1 1 23 GLY H H 4.172 7.452 7.402 1.00 . A A . 23 GLY H 1 1 6 4044 1 1 23 GLY HA2 H 4.755 7.738 9.733 1.00 . A A . 23 GLY HA2 1 1 6 4045 1 1 23 GLY HA3 H 3.679 9.120 9.795 1.00 . A A . 23 GLY HA3 1 1 6 4046 1 1 23 GLY N N 3.926 8.287 7.895 1.00 . A A . 23 GLY N 1 1 6 4047 1 1 23 GLY O O 1.549 7.684 9.954 1.00 . A A . 23 GLY O 1 1 6 4048 1 1 24 VAL C C 2.564 3.910 11.050 1.00 . A A . 24 VAL C 1 1 6 4049 1 1 24 VAL CA C 1.955 4.938 10.094 1.00 . A A . 24 VAL CA 1 1 6 4050 1 1 24 VAL CB C 1.387 4.307 8.821 1.00 . A A . 24 VAL CB 1 1 6 4051 1 1 24 VAL CG1 C 0.508 3.100 9.153 1.00 . A A . 24 VAL CG1 1 1 6 4052 1 1 24 VAL CG2 C 0.614 5.338 7.997 1.00 . A A . 24 VAL CG2 1 1 6 4053 1 1 24 VAL H H 3.868 5.559 9.554 1.00 . A A . 24 VAL H 1 1 6 4054 1 1 24 VAL HA H 1.144 5.456 10.606 1.00 . A A . 24 VAL HA 1 1 6 4055 1 1 24 VAL HB H 2.224 3.956 8.219 1.00 . A A . 24 VAL HB 1 1 6 4056 1 1 24 VAL HG11 H 0.432 2.454 8.279 1.00 . A A . 24 VAL HG11 1 1 6 4057 1 1 24 VAL HG12 H 0.951 2.543 9.979 1.00 . A A . 24 VAL HG12 1 1 6 4058 1 1 24 VAL HG13 H -0.487 3.442 9.438 1.00 . A A . 24 VAL HG13 1 1 6 4059 1 1 24 VAL HG21 H -0.391 4.965 7.798 1.00 . A A . 24 VAL HG21 1 1 6 4060 1 1 24 VAL HG22 H 0.551 6.274 8.552 1.00 . A A . 24 VAL HG22 1 1 6 4061 1 1 24 VAL HG23 H 1.131 5.510 7.052 1.00 . A A . 24 VAL HG23 1 1 6 4062 1 1 24 VAL N N 2.961 5.929 9.751 1.00 . A A . 24 VAL N 1 1 6 4063 1 1 24 VAL O O 3.731 3.547 10.916 1.00 . A A . 24 VAL O 1 1 6 4064 1 1 25 LYS C C 1.982 1.084 12.409 1.00 . A A . 25 LYS C 1 1 6 4065 1 1 25 LYS CA C 2.188 2.492 12.973 1.00 . A A . 25 LYS CA 1 1 6 4066 1 1 25 LYS CB C 1.493 2.724 14.316 1.00 . A A . 25 LYS CB 1 1 6 4067 1 1 25 LYS CD C -0.943 3.370 14.416 1.00 . A A . 25 LYS CD 1 1 6 4068 1 1 25 LYS CE C -1.921 3.122 15.565 1.00 . A A . 25 LYS CE 1 1 6 4069 1 1 25 LYS CG C 0.051 2.214 14.283 1.00 . A A . 25 LYS CG 1 1 6 4070 1 1 25 LYS H H 0.797 3.771 12.097 1.00 . A A . 25 LYS H 1 1 6 4071 1 1 25 LYS HA H 3.255 2.648 13.131 1.00 . A A . 25 LYS HA 1 1 6 4072 1 1 25 LYS HB2 H 2.044 2.217 15.108 1.00 . A A . 25 LYS HB2 1 1 6 4073 1 1 25 LYS HB3 H 1.501 3.788 14.555 1.00 . A A . 25 LYS HB3 1 1 6 4074 1 1 25 LYS HD2 H -0.402 4.301 14.588 1.00 . A A . 25 LYS HD2 1 1 6 4075 1 1 25 LYS HD3 H -1.494 3.489 13.483 1.00 . A A . 25 LYS HD3 1 1 6 4076 1 1 25 LYS HE2 H -2.939 3.064 15.179 1.00 . A A . 25 LYS HE2 1 1 6 4077 1 1 25 LYS HE3 H -1.704 2.163 16.036 1.00 . A A . 25 LYS HE3 1 1 6 4078 1 1 25 LYS HG2 H -0.128 1.681 13.349 1.00 . A A . 25 LYS HG2 1 1 6 4079 1 1 25 LYS HG3 H -0.105 1.501 15.092 1.00 . A A . 25 LYS HG3 1 1 6 4080 1 1 25 LYS HZ1 H -1.100 4.028 17.253 1.00 . A A . 25 LYS HZ1 1 1 6 4081 1 1 25 LYS HZ3 H -2.693 4.323 17.084 1.00 . A A . 25 LYS HZ3 1 1 6 4082 1 1 25 LYS N N 1.745 3.471 11.995 1.00 . A A . 25 LYS N 1 1 6 4083 1 1 25 LYS NZ N -1.827 4.206 16.569 1.00 . A A . 25 LYS NZ 1 1 6 4084 1 1 25 LYS O O 1.224 0.897 11.459 1.00 . A A . 25 LYS O 1 1 6 4085 1 1 26 PRO C C 1.266 -1.900 13.055 1.00 . A A . 26 PRO C 1 1 6 4086 1 1 26 PRO CA C 2.590 -1.279 12.606 1.00 . A A . 26 PRO CA 1 1 6 4087 1 1 26 PRO CB C 3.804 -1.966 13.212 1.00 . A A . 26 PRO CB 1 1 6 4088 1 1 26 PRO CD C 3.596 0.290 14.164 1.00 . A A . 26 PRO CD 1 1 6 4089 1 1 26 PRO CG C 4.281 -1.056 14.333 1.00 . A A . 26 PRO CG 1 1 6 4090 1 1 26 PRO HA H 2.593 -1.334 11.608 1.00 . A A . 26 PRO HA 1 1 6 4091 1 1 26 PRO HB2 H 3.544 -2.953 13.594 1.00 . A A . 26 PRO HB2 1 1 6 4092 1 1 26 PRO HB3 H 4.585 -2.109 12.466 1.00 . A A . 26 PRO HB3 1 1 6 4093 1 1 26 PRO HD2 H 3.054 0.574 15.066 1.00 . A A . 26 PRO HD2 1 1 6 4094 1 1 26 PRO HD3 H 4.320 1.080 13.965 1.00 . A A . 26 PRO HD3 1 1 6 4095 1 1 26 PRO HG2 H 4.039 -1.489 15.304 1.00 . A A . 26 PRO HG2 1 1 6 4096 1 1 26 PRO HG3 H 5.364 -0.941 14.296 1.00 . A A . 26 PRO HG3 1 1 6 4097 1 1 26 PRO N N 2.689 0.105 13.035 1.00 . A A . 26 PRO N 1 1 6 4098 1 1 26 PRO O O 0.780 -1.612 14.148 1.00 . A A . 26 PRO O 1 1 6 4099 1 1 27 GLY C C -1.702 -2.716 11.767 1.00 . A A . 27 GLY C 1 1 6 4100 1 1 27 GLY CA C -0.539 -3.405 12.483 1.00 . A A . 27 GLY CA 1 1 6 4101 1 1 27 GLY H H 1.121 -2.970 11.303 1.00 . A A . 27 GLY H 1 1 6 4102 1 1 27 GLY HA2 H -0.484 -4.449 12.175 1.00 . A A . 27 GLY HA2 1 1 6 4103 1 1 27 GLY HA3 H -0.715 -3.399 13.559 1.00 . A A . 27 GLY HA3 1 1 6 4104 1 1 27 GLY N N 0.720 -2.741 12.189 1.00 . A A . 27 GLY N 1 1 6 4105 1 1 27 GLY O O -2.819 -3.232 11.750 1.00 . A A . 27 GLY O 1 1 6 4106 1 1 28 THR C C -2.707 -1.445 9.123 1.00 . A A . 28 THR C 1 1 6 4107 1 1 28 THR CA C -2.408 -0.797 10.476 1.00 . A A . 28 THR CA 1 1 6 4108 1 1 28 THR CB C -1.913 0.647 10.361 1.00 . A A . 28 THR CB 1 1 6 4109 1 1 28 THR CG2 C -2.982 1.590 9.805 1.00 . A A . 28 THR CG2 1 1 6 4110 1 1 28 THR H H -0.490 -1.148 11.210 1.00 . A A . 28 THR H 1 1 6 4111 1 1 28 THR HA H -3.332 -0.820 11.053 1.00 . A A . 28 THR HA 1 1 6 4112 1 1 28 THR HB H -1.000 0.699 9.768 1.00 . A A . 28 THR HB 1 1 6 4113 1 1 28 THR HG1 H -1.610 2.055 11.750 1.00 . A A . 28 THR HG1 1 1 6 4114 1 1 28 THR HG21 H -3.446 1.136 8.929 1.00 . A A . 28 THR HG21 1 1 6 4115 1 1 28 THR HG22 H -3.740 1.769 10.567 1.00 . A A . 28 THR HG22 1 1 6 4116 1 1 28 THR HG23 H -2.520 2.536 9.522 1.00 . A A . 28 THR HG23 1 1 6 4117 1 1 28 THR N N -1.401 -1.561 11.192 1.00 . A A . 28 THR N 1 1 6 4118 1 1 28 THR O O -1.900 -2.217 8.608 1.00 . A A . 28 THR O 1 1 6 4119 1 1 28 THR OG1 O -1.750 1.066 11.714 1.00 . A A . 28 THR OG1 1 1 6 4120 1 1 29 SER C C -4.351 -0.529 6.260 1.00 . A A . 29 SER C 1 1 6 4121 1 1 29 SER CA C -4.287 -1.647 7.302 1.00 . A A . 29 SER CA 1 1 6 4122 1 1 29 SER CB C -5.643 -2.347 7.413 1.00 . A A . 29 SER CB 1 1 6 4123 1 1 29 SER H H -4.522 -0.479 9.011 1.00 . A A . 29 SER H 1 1 6 4124 1 1 29 SER HA H -3.523 -2.377 7.034 1.00 . A A . 29 SER HA 1 1 6 4125 1 1 29 SER HB2 H -5.794 -2.984 6.541 1.00 . A A . 29 SER HB2 1 1 6 4126 1 1 29 SER HB3 H -5.644 -2.998 8.287 1.00 . A A . 29 SER HB3 1 1 6 4127 1 1 29 SER HG H -6.362 -0.483 7.513 1.00 . A A . 29 SER HG 1 1 6 4128 1 1 29 SER N N -3.871 -1.107 8.585 1.00 . A A . 29 SER N 1 1 6 4129 1 1 29 SER O O -4.776 0.584 6.564 1.00 . A A . 29 SER O 1 1 6 4130 1 1 29 SER OG O -6.717 -1.417 7.512 1.00 . A A . 29 SER OG 1 1 6 4131 1 1 30 PHE C C -5.328 0.658 3.730 1.00 . A A . 30 PHE C 1 1 6 4132 1 1 30 PHE CA C -3.924 0.098 3.963 1.00 . A A . 30 PHE CA 1 1 6 4133 1 1 30 PHE CB C -3.470 -0.647 2.707 1.00 . A A . 30 PHE CB 1 1 6 4134 1 1 30 PHE CD1 C -4.005 0.729 0.684 1.00 . A A . 30 PHE CD1 1 1 6 4135 1 1 30 PHE CD2 C -1.761 0.627 1.393 1.00 . A A . 30 PHE CD2 1 1 6 4136 1 1 30 PHE CE1 C -3.628 1.580 -0.388 1.00 . A A . 30 PHE CE1 1 1 6 4137 1 1 30 PHE CE2 C -1.384 1.479 0.321 1.00 . A A . 30 PHE CE2 1 1 6 4138 1 1 30 PHE CG C -3.063 0.270 1.552 1.00 . A A . 30 PHE CG 1 1 6 4139 1 1 30 PHE CZ C -2.325 1.937 -0.547 1.00 . A A . 30 PHE CZ 1 1 6 4140 1 1 30 PHE H H -3.576 -1.772 4.813 1.00 . A A . 30 PHE H 1 1 6 4141 1 1 30 PHE HA H -3.254 0.910 4.247 1.00 . A A . 30 PHE HA 1 1 6 4142 1 1 30 PHE HB2 H -2.626 -1.289 2.962 1.00 . A A . 30 PHE HB2 1 1 6 4143 1 1 30 PHE HB3 H -4.276 -1.300 2.372 1.00 . A A . 30 PHE HB3 1 1 6 4144 1 1 30 PHE HD1 H -5.049 0.443 0.811 1.00 . A A . 30 PHE HD1 1 1 6 4145 1 1 30 PHE HD2 H -1.006 0.260 2.088 1.00 . A A . 30 PHE HD2 1 1 6 4146 1 1 30 PHE HE1 H -4.382 1.948 -1.084 1.00 . A A . 30 PHE HE1 1 1 6 4147 1 1 30 PHE HE2 H -0.340 1.765 0.194 1.00 . A A . 30 PHE HE2 1 1 6 4148 1 1 30 PHE HZ H -2.036 2.591 -1.370 1.00 . A A . 30 PHE HZ 1 1 6 4149 1 1 30 PHE N N -3.921 -0.864 5.052 1.00 . A A . 30 PHE N 1 1 6 4150 1 1 30 PHE O O -5.491 1.679 3.064 1.00 . A A . 30 PHE O 1 1 6 4151 1 1 31 ASP C C -7.984 1.510 5.142 1.00 . A A . 31 ASP C 1 1 6 4152 1 1 31 ASP CA C -7.693 0.380 4.153 1.00 . A A . 31 ASP CA 1 1 6 4153 1 1 31 ASP CB C -8.648 -0.776 4.461 1.00 . A A . 31 ASP CB 1 1 6 4154 1 1 31 ASP CG C -10.041 -0.646 3.842 1.00 . A A . 31 ASP CG 1 1 6 4155 1 1 31 ASP H H -6.167 -0.865 4.831 1.00 . A A . 31 ASP H 1 1 6 4156 1 1 31 ASP HA H -7.795 0.697 3.115 1.00 . A A . 31 ASP HA 1 1 6 4157 1 1 31 ASP HB2 H -8.196 -1.704 4.111 1.00 . A A . 31 ASP HB2 1 1 6 4158 1 1 31 ASP HB3 H -8.754 -0.861 5.543 1.00 . A A . 31 ASP HB3 1 1 6 4159 1 1 31 ASP HD2 H -10.541 -2.005 5.046 1.00 . A A . 31 ASP HD2 1 1 6 4160 1 1 31 ASP N N -6.308 -0.036 4.291 1.00 . A A . 31 ASP N 1 1 6 4161 1 1 31 ASP O O -9.089 2.050 5.166 1.00 . A A . 31 ASP O 1 1 6 4162 1 1 31 ASP OD1 O -10.289 0.236 3.006 1.00 . A A . 31 ASP OD1 1 1 6 4163 1 1 31 ASP OD2 O -10.905 -1.510 4.257 1.00 . A A . 31 ASP OD2 1 1 6 4164 1 1 32 ASP C C -6.187 4.054 6.548 1.00 . A A . 32 ASP C 1 1 6 4165 1 1 32 ASP CA C -7.106 2.890 6.924 1.00 . A A . 32 ASP CA 1 1 6 4166 1 1 32 ASP CB C -6.699 2.397 8.314 1.00 . A A . 32 ASP CB 1 1 6 4167 1 1 32 ASP CG C -7.687 2.732 9.434 1.00 . A A . 32 ASP CG 1 1 6 4168 1 1 32 ASP H H -6.077 1.389 5.909 1.00 . A A . 32 ASP H 1 1 6 4169 1 1 32 ASP HA H -8.160 3.168 6.906 1.00 . A A . 32 ASP HA 1 1 6 4170 1 1 32 ASP HB2 H -6.569 1.315 8.276 1.00 . A A . 32 ASP HB2 1 1 6 4171 1 1 32 ASP HB3 H -5.729 2.826 8.566 1.00 . A A . 32 ASP HB3 1 1 6 4172 1 1 32 ASP HD2 H -7.721 4.032 10.796 1.00 . A A . 32 ASP HD2 1 1 6 4173 1 1 32 ASP N N -6.973 1.834 5.935 1.00 . A A . 32 ASP N 1 1 6 4174 1 1 32 ASP O O -6.316 5.151 7.088 1.00 . A A . 32 ASP O 1 1 6 4175 1 1 32 ASP OD1 O -8.898 2.497 9.308 1.00 . A A . 32 ASP OD1 1 1 6 4176 1 1 32 ASP OD2 O -7.161 3.264 10.484 1.00 . A A . 32 ASP OD2 1 1 6 4177 1 1 33 LEU C C -5.112 6.022 4.704 1.00 . A A . 33 LEU C 1 1 6 4178 1 1 33 LEU CA C -4.340 4.785 5.168 1.00 . A A . 33 LEU CA 1 1 6 4179 1 1 33 LEU CB C -3.406 4.207 4.102 1.00 . A A . 33 LEU CB 1 1 6 4180 1 1 33 LEU CD1 C -1.500 2.675 3.486 1.00 . A A . 33 LEU CD1 1 1 6 4181 1 1 33 LEU CD2 C -1.234 4.346 5.376 1.00 . A A . 33 LEU CD2 1 1 6 4182 1 1 33 LEU CG C -2.197 3.427 4.622 1.00 . A A . 33 LEU CG 1 1 6 4183 1 1 33 LEU H H -5.182 2.880 5.188 1.00 . A A . 33 LEU H 1 1 6 4184 1 1 33 LEU HA H -3.721 5.063 6.021 1.00 . A A . 33 LEU HA 1 1 6 4185 1 1 33 LEU HB2 H -3.988 3.549 3.457 1.00 . A A . 33 LEU HB2 1 1 6 4186 1 1 33 LEU HB3 H -3.045 5.026 3.481 1.00 . A A . 33 LEU HB3 1 1 6 4187 1 1 33 LEU HD11 H -2.229 2.428 2.713 1.00 . A A . 33 LEU HD11 1 1 6 4188 1 1 33 LEU HD12 H -0.718 3.304 3.060 1.00 . A A . 33 LEU HD12 1 1 6 4189 1 1 33 LEU HD13 H -1.057 1.758 3.875 1.00 . A A . 33 LEU HD13 1 1 6 4190 1 1 33 LEU HD21 H -0.424 4.647 4.712 1.00 . A A . 33 LEU HD21 1 1 6 4191 1 1 33 LEU HD22 H -1.771 5.231 5.720 1.00 . A A . 33 LEU HD22 1 1 6 4192 1 1 33 LEU HD23 H -0.822 3.815 6.234 1.00 . A A . 33 LEU HD23 1 1 6 4193 1 1 33 LEU HG H -2.552 2.680 5.332 1.00 . A A . 33 LEU HG 1 1 6 4194 1 1 33 LEU N N -5.280 3.775 5.623 1.00 . A A . 33 LEU N 1 1 6 4195 1 1 33 LEU O O -6.253 5.914 4.258 1.00 . A A . 33 LEU O 1 1 6 4196 1 1 34 PRO C C -5.076 8.589 2.904 1.00 . A A . 34 PRO C 1 1 6 4197 1 1 34 PRO CA C -5.052 8.454 4.427 1.00 . A A . 34 PRO CA 1 1 6 4198 1 1 34 PRO CB C -4.220 9.530 5.106 1.00 . A A . 34 PRO CB 1 1 6 4199 1 1 34 PRO CD C -3.088 7.363 5.353 1.00 . A A . 34 PRO CD 1 1 6 4200 1 1 34 PRO CG C -2.905 8.867 5.481 1.00 . A A . 34 PRO CG 1 1 6 4201 1 1 34 PRO HA H -6.007 8.484 4.720 1.00 . A A . 34 PRO HA 1 1 6 4202 1 1 34 PRO HB2 H -4.055 10.376 4.438 1.00 . A A . 34 PRO HB2 1 1 6 4203 1 1 34 PRO HB3 H -4.728 9.917 5.990 1.00 . A A . 34 PRO HB3 1 1 6 4204 1 1 34 PRO HD2 H -2.348 6.930 4.681 1.00 . A A . 34 PRO HD2 1 1 6 4205 1 1 34 PRO HD3 H -2.974 6.867 6.317 1.00 . A A . 34 PRO HD3 1 1 6 4206 1 1 34 PRO HG2 H -2.104 9.211 4.826 1.00 . A A . 34 PRO HG2 1 1 6 4207 1 1 34 PRO HG3 H -2.620 9.132 6.499 1.00 . A A . 34 PRO HG3 1 1 6 4208 1 1 34 PRO N N -4.441 7.198 4.829 1.00 . A A . 34 PRO N 1 1 6 4209 1 1 34 PRO O O -4.099 8.262 2.232 1.00 . A A . 34 PRO O 1 1 6 4210 1 1 35 ALA C C -5.129 9.952 0.404 1.00 . A A . 35 ALA C 1 1 6 4211 1 1 35 ALA CA C -6.368 9.256 0.970 1.00 . A A . 35 ALA CA 1 1 6 4212 1 1 35 ALA CB C -7.653 10.041 0.700 1.00 . A A . 35 ALA CB 1 1 6 4213 1 1 35 ALA H H -6.993 9.337 2.956 1.00 . A A . 35 ALA H 1 1 6 4214 1 1 35 ALA HA H -6.458 8.268 0.518 1.00 . A A . 35 ALA HA 1 1 6 4215 1 1 35 ALA HB1 H -8.474 9.598 1.263 1.00 . A A . 35 ALA HB1 1 1 6 4216 1 1 35 ALA HB2 H -7.517 11.077 1.009 1.00 . A A . 35 ALA HB2 1 1 6 4217 1 1 35 ALA HB3 H -7.882 10.006 -0.365 1.00 . A A . 35 ALA HB3 1 1 6 4218 1 1 35 ALA N N -6.203 9.073 2.402 1.00 . A A . 35 ALA N 1 1 6 4219 1 1 35 ALA O O -4.617 9.560 -0.644 1.00 . A A . 35 ALA O 1 1 6 4220 1 1 36 ASP C C -2.337 10.770 0.510 1.00 . A A . 36 ASP C 1 1 6 4221 1 1 36 ASP CA C -3.514 11.727 0.703 1.00 . A A . 36 ASP CA 1 1 6 4222 1 1 36 ASP CB C -3.116 12.758 1.762 1.00 . A A . 36 ASP CB 1 1 6 4223 1 1 36 ASP CG C -3.467 14.207 1.418 1.00 . A A . 36 ASP CG 1 1 6 4224 1 1 36 ASP H H -5.105 11.285 1.972 1.00 . A A . 36 ASP H 1 1 6 4225 1 1 36 ASP HA H -3.807 12.220 -0.224 1.00 . A A . 36 ASP HA 1 1 6 4226 1 1 36 ASP HB2 H -3.601 12.496 2.702 1.00 . A A . 36 ASP HB2 1 1 6 4227 1 1 36 ASP HB3 H -2.041 12.690 1.928 1.00 . A A . 36 ASP HB3 1 1 6 4228 1 1 36 ASP HD2 H -2.736 15.883 0.969 1.00 . A A . 36 ASP HD2 1 1 6 4229 1 1 36 ASP N N -4.683 10.973 1.121 1.00 . A A . 36 ASP N 1 1 6 4230 1 1 36 ASP O O -1.492 10.986 -0.358 1.00 . A A . 36 ASP O 1 1 6 4231 1 1 36 ASP OD1 O -4.638 14.543 1.187 1.00 . A A . 36 ASP OD1 1 1 6 4232 1 1 36 ASP OD2 O -2.465 15.019 1.391 1.00 . A A . 36 ASP OD2 1 1 6 4233 1 1 37 TRP C C -1.194 8.217 -0.174 1.00 . A A . 37 TRP C 1 1 6 4234 1 1 37 TRP CA C -1.259 8.739 1.262 1.00 . A A . 37 TRP CA 1 1 6 4235 1 1 37 TRP CB C -1.477 7.630 2.292 1.00 . A A . 37 TRP CB 1 1 6 4236 1 1 37 TRP CD1 C 0.593 6.589 3.430 1.00 . A A . 37 TRP CD1 1 1 6 4237 1 1 37 TRP CD2 C 0.090 5.641 1.492 1.00 . A A . 37 TRP CD2 1 1 6 4238 1 1 37 TRP CE2 C 1.205 4.997 1.989 1.00 . A A . 37 TRP CE2 1 1 6 4239 1 1 37 TRP CE3 C -0.483 5.268 0.263 1.00 . A A . 37 TRP CE3 1 1 6 4240 1 1 37 TRP CG C -0.297 6.667 2.430 1.00 . A A . 37 TRP CG 1 1 6 4241 1 1 37 TRP CH2 C 1.289 3.555 0.098 1.00 . A A . 37 TRP CH2 1 1 6 4242 1 1 37 TRP CZ2 C 1.842 3.943 1.324 1.00 . A A . 37 TRP CZ2 1 1 6 4243 1 1 37 TRP CZ3 C 0.166 4.213 -0.389 1.00 . A A . 37 TRP CZ3 1 1 6 4244 1 1 37 TRP H H -3.010 9.562 2.035 1.00 . A A . 37 TRP H 1 1 6 4245 1 1 37 TRP HA H -0.323 9.233 1.522 1.00 . A A . 37 TRP HA 1 1 6 4246 1 1 37 TRP HB2 H -1.678 8.083 3.263 1.00 . A A . 37 TRP HB2 1 1 6 4247 1 1 37 TRP HB3 H -2.366 7.062 2.016 1.00 . A A . 37 TRP HB3 1 1 6 4248 1 1 37 TRP HD1 H 0.584 7.232 4.309 1.00 . A A . 37 TRP HD1 1 1 6 4249 1 1 37 TRP HE1 H 2.348 5.321 3.861 1.00 . A A . 37 TRP HE1 1 1 6 4250 1 1 37 TRP HE3 H -1.363 5.761 -0.151 1.00 . A A . 37 TRP HE3 1 1 6 4251 1 1 37 TRP HH2 H 1.736 2.741 -0.471 1.00 . A A . 37 TRP HH2 1 1 6 4252 1 1 37 TRP HZ2 H 2.722 3.451 1.738 1.00 . A A . 37 TRP HZ2 1 1 6 4253 1 1 37 TRP HZ3 H -0.238 3.885 -1.347 1.00 . A A . 37 TRP HZ3 1 1 6 4254 1 1 37 TRP N N -2.319 9.731 1.332 1.00 . A A . 37 TRP N 1 1 6 4255 1 1 37 TRP NE1 N 1.520 5.592 3.205 1.00 . A A . 37 TRP NE1 1 1 6 4256 1 1 37 TRP O O -2.226 8.002 -0.807 1.00 . A A . 37 TRP O 1 1 6 4257 1 1 38 VAL C C 1.526 6.705 -2.035 1.00 . A A . 38 VAL C 1 1 6 4258 1 1 38 VAL CA C 0.243 7.536 -1.997 1.00 . A A . 38 VAL CA 1 1 6 4259 1 1 38 VAL CB C 0.258 8.705 -2.984 1.00 . A A . 38 VAL CB 1 1 6 4260 1 1 38 VAL CG1 C -1.123 9.356 -3.084 1.00 . A A . 38 VAL CG1 1 1 6 4261 1 1 38 VAL CG2 C 1.323 9.734 -2.600 1.00 . A A . 38 VAL CG2 1 1 6 4262 1 1 38 VAL H H 0.864 8.207 -0.125 1.00 . A A . 38 VAL H 1 1 6 4263 1 1 38 VAL HA H -0.600 6.892 -2.249 1.00 . A A . 38 VAL HA 1 1 6 4264 1 1 38 VAL HB H 0.514 8.310 -3.967 1.00 . A A . 38 VAL HB 1 1 6 4265 1 1 38 VAL HG11 H -1.891 8.615 -2.865 1.00 . A A . 38 VAL HG11 1 1 6 4266 1 1 38 VAL HG12 H -1.192 10.174 -2.367 1.00 . A A . 38 VAL HG12 1 1 6 4267 1 1 38 VAL HG13 H -1.270 9.744 -4.092 1.00 . A A . 38 VAL HG13 1 1 6 4268 1 1 38 VAL HG21 H 2.203 9.598 -3.228 1.00 . A A . 38 VAL HG21 1 1 6 4269 1 1 38 VAL HG22 H 0.926 10.739 -2.743 1.00 . A A . 38 VAL HG22 1 1 6 4270 1 1 38 VAL HG23 H 1.599 9.598 -1.554 1.00 . A A . 38 VAL HG23 1 1 6 4271 1 1 38 VAL N N 0.030 8.029 -0.647 1.00 . A A . 38 VAL N 1 1 6 4272 1 1 38 VAL O O 2.451 6.948 -1.262 1.00 . A A . 38 VAL O 1 1 6 4273 1 1 39 CYS C C 3.960 5.720 -2.942 1.00 . A A . 39 CYS C 1 1 6 4274 1 1 39 CYS CA C 2.697 4.871 -3.092 1.00 . A A . 39 CYS CA 1 1 6 4275 1 1 39 CYS CB C 2.670 4.118 -4.424 1.00 . A A . 39 CYS CB 1 1 6 4276 1 1 39 CYS H H 0.785 5.548 -3.568 1.00 . A A . 39 CYS H 1 1 6 4277 1 1 39 CYS HA H 2.634 4.127 -2.297 1.00 . A A . 39 CYS HA 1 1 6 4278 1 1 39 CYS HB2 H 1.888 3.359 -4.381 1.00 . A A . 39 CYS HB2 1 1 6 4279 1 1 39 CYS HB3 H 2.394 4.816 -5.214 1.00 . A A . 39 CYS HB3 1 1 6 4280 1 1 39 CYS N N 1.542 5.740 -2.943 1.00 . A A . 39 CYS N 1 1 6 4281 1 1 39 CYS O O 4.325 6.462 -3.853 1.00 . A A . 39 CYS O 1 1 6 4282 1 1 39 CYS SG S 4.247 3.309 -4.880 1.00 . A A . 39 CYS SG 1 1 6 4283 1 1 40 PRO C C 7.016 5.741 -2.236 1.00 . A A . 40 PRO C 1 1 6 4284 1 1 40 PRO CA C 5.824 6.326 -1.475 1.00 . A A . 40 PRO CA 1 1 6 4285 1 1 40 PRO CB C 5.990 6.255 0.034 1.00 . A A . 40 PRO CB 1 1 6 4286 1 1 40 PRO CD C 4.207 4.711 -0.654 1.00 . A A . 40 PRO CD 1 1 6 4287 1 1 40 PRO CG C 5.129 5.089 0.493 1.00 . A A . 40 PRO CG 1 1 6 4288 1 1 40 PRO HA H 5.734 7.270 -1.793 1.00 . A A . 40 PRO HA 1 1 6 4289 1 1 40 PRO HB2 H 7.034 6.099 0.306 1.00 . A A . 40 PRO HB2 1 1 6 4290 1 1 40 PRO HB3 H 5.673 7.184 0.507 1.00 . A A . 40 PRO HB3 1 1 6 4291 1 1 40 PRO HD2 H 4.315 3.659 -0.919 1.00 . A A . 40 PRO HD2 1 1 6 4292 1 1 40 PRO HD3 H 3.161 4.867 -0.389 1.00 . A A . 40 PRO HD3 1 1 6 4293 1 1 40 PRO HG2 H 5.753 4.242 0.777 1.00 . A A . 40 PRO HG2 1 1 6 4294 1 1 40 PRO HG3 H 4.549 5.366 1.374 1.00 . A A . 40 PRO HG3 1 1 6 4295 1 1 40 PRO N N 4.610 5.580 -1.756 1.00 . A A . 40 PRO N 1 1 6 4296 1 1 40 PRO O O 8.041 5.419 -1.638 1.00 . A A . 40 PRO O 1 1 6 4297 1 1 41 VAL C C 7.826 5.754 -5.765 1.00 . A A . 41 VAL C 1 1 6 4298 1 1 41 VAL CA C 7.888 5.080 -4.393 1.00 . A A . 41 VAL CA 1 1 6 4299 1 1 41 VAL CB C 7.766 3.557 -4.468 1.00 . A A . 41 VAL CB 1 1 6 4300 1 1 41 VAL CG1 C 8.909 2.956 -5.289 1.00 . A A . 41 VAL CG1 1 1 6 4301 1 1 41 VAL CG2 C 7.712 2.941 -3.069 1.00 . A A . 41 VAL CG2 1 1 6 4302 1 1 41 VAL H H 6.003 5.886 -4.022 1.00 . A A . 41 VAL H 1 1 6 4303 1 1 41 VAL HA H 8.845 5.320 -3.927 1.00 . A A . 41 VAL HA 1 1 6 4304 1 1 41 VAL HB H 6.830 3.321 -4.974 1.00 . A A . 41 VAL HB 1 1 6 4305 1 1 41 VAL HG11 H 8.671 1.922 -5.539 1.00 . A A . 41 VAL HG11 1 1 6 4306 1 1 41 VAL HG12 H 9.041 3.531 -6.205 1.00 . A A . 41 VAL HG12 1 1 6 4307 1 1 41 VAL HG13 H 9.830 2.985 -4.705 1.00 . A A . 41 VAL HG13 1 1 6 4308 1 1 41 VAL HG21 H 7.842 1.861 -3.142 1.00 . A A . 41 VAL HG21 1 1 6 4309 1 1 41 VAL HG22 H 8.509 3.362 -2.456 1.00 . A A . 41 VAL HG22 1 1 6 4310 1 1 41 VAL HG23 H 6.747 3.161 -2.612 1.00 . A A . 41 VAL HG23 1 1 6 4311 1 1 41 VAL N N 6.840 5.621 -3.544 1.00 . A A . 41 VAL N 1 1 6 4312 1 1 41 VAL O O 8.830 6.269 -6.254 1.00 . A A . 41 VAL O 1 1 6 4313 1 1 42 CYS C C 5.550 7.571 -7.477 1.00 . A A . 42 CYS C 1 1 6 4314 1 1 42 CYS CA C 6.429 6.331 -7.653 1.00 . A A . 42 CYS CA 1 1 6 4315 1 1 42 CYS CB C 5.821 5.337 -8.644 1.00 . A A . 42 CYS CB 1 1 6 4316 1 1 42 CYS H H 5.824 5.308 -5.942 1.00 . A A . 42 CYS H 1 1 6 4317 1 1 42 CYS HA H 7.414 6.605 -8.031 1.00 . A A . 42 CYS HA 1 1 6 4318 1 1 42 CYS HB2 H 6.025 5.684 -9.657 1.00 . A A . 42 CYS HB2 1 1 6 4319 1 1 42 CYS HB3 H 6.324 4.376 -8.529 1.00 . A A . 42 CYS HB3 1 1 6 4320 1 1 42 CYS N N 6.636 5.729 -6.347 1.00 . A A . 42 CYS N 1 1 6 4321 1 1 42 CYS O O 5.750 8.579 -8.154 1.00 . A A . 42 CYS O 1 1 6 4322 1 1 42 CYS SG S 4.018 5.079 -8.465 1.00 . A A . 42 CYS SG 1 1 6 4323 1 1 43 GLY C C 2.258 8.201 -6.705 1.00 . A A . 43 GLY C 1 1 6 4324 1 1 43 GLY CA C 3.687 8.556 -6.290 1.00 . A A . 43 GLY CA 1 1 6 4325 1 1 43 GLY H H 4.441 6.633 -6.018 1.00 . A A . 43 GLY H 1 1 6 4326 1 1 43 GLY HA2 H 3.712 8.797 -5.228 1.00 . A A . 43 GLY HA2 1 1 6 4327 1 1 43 GLY HA3 H 4.015 9.446 -6.827 1.00 . A A . 43 GLY HA3 1 1 6 4328 1 1 43 GLY N N 4.597 7.456 -6.564 1.00 . A A . 43 GLY N 1 1 6 4329 1 1 43 GLY O O 1.429 9.086 -6.911 1.00 . A A . 43 GLY O 1 1 6 4330 1 1 44 ALA C C -0.271 6.598 -6.030 1.00 . A A . 44 ALA C 1 1 6 4331 1 1 44 ALA CA C 0.698 6.420 -7.201 1.00 . A A . 44 ALA CA 1 1 6 4332 1 1 44 ALA CB C 0.802 4.963 -7.655 1.00 . A A . 44 ALA CB 1 1 6 4333 1 1 44 ALA H H 2.692 6.189 -6.645 1.00 . A A . 44 ALA H 1 1 6 4334 1 1 44 ALA HA H 0.355 7.026 -8.040 1.00 . A A . 44 ALA HA 1 1 6 4335 1 1 44 ALA HB1 H -0.198 4.538 -7.746 1.00 . A A . 44 ALA HB1 1 1 6 4336 1 1 44 ALA HB2 H 1.305 4.919 -8.621 1.00 . A A . 44 ALA HB2 1 1 6 4337 1 1 44 ALA HB3 H 1.373 4.394 -6.922 1.00 . A A . 44 ALA HB3 1 1 6 4338 1 1 44 ALA N N 2.012 6.903 -6.815 1.00 . A A . 44 ALA N 1 1 6 4339 1 1 44 ALA O O 0.099 6.382 -4.876 1.00 . A A . 44 ALA O 1 1 6 4340 1 1 45 PRO C C -3.082 5.874 -4.842 1.00 . A A . 45 PRO C 1 1 6 4341 1 1 45 PRO CA C -2.547 7.208 -5.365 1.00 . A A . 45 PRO CA 1 1 6 4342 1 1 45 PRO CB C -3.612 8.046 -6.053 1.00 . A A . 45 PRO CB 1 1 6 4343 1 1 45 PRO CD C -1.996 7.264 -7.731 1.00 . A A . 45 PRO CD 1 1 6 4344 1 1 45 PRO CG C -3.372 7.884 -7.545 1.00 . A A . 45 PRO CG 1 1 6 4345 1 1 45 PRO HA H -2.161 7.678 -4.572 1.00 . A A . 45 PRO HA 1 1 6 4346 1 1 45 PRO HB2 H -4.612 7.708 -5.780 1.00 . A A . 45 PRO HB2 1 1 6 4347 1 1 45 PRO HB3 H -3.538 9.093 -5.757 1.00 . A A . 45 PRO HB3 1 1 6 4348 1 1 45 PRO HD2 H -2.051 6.347 -8.317 1.00 . A A . 45 PRO HD2 1 1 6 4349 1 1 45 PRO HD3 H -1.325 7.941 -8.259 1.00 . A A . 45 PRO HD3 1 1 6 4350 1 1 45 PRO HG2 H -4.139 7.250 -7.989 1.00 . A A . 45 PRO HG2 1 1 6 4351 1 1 45 PRO HG3 H -3.426 8.850 -8.048 1.00 . A A . 45 PRO HG3 1 1 6 4352 1 1 45 PRO N N -1.523 6.999 -6.375 1.00 . A A . 45 PRO N 1 1 6 4353 1 1 45 PRO O O -3.337 4.956 -5.620 1.00 . A A . 45 PRO O 1 1 6 4354 1 1 46 LYS C C -4.978 4.114 -3.638 1.00 . A A . 46 LYS C 1 1 6 4355 1 1 46 LYS CA C -3.735 4.602 -2.892 1.00 . A A . 46 LYS CA 1 1 6 4356 1 1 46 LYS CB C -3.968 4.840 -1.399 1.00 . A A . 46 LYS CB 1 1 6 4357 1 1 46 LYS CD C -6.351 4.764 -0.574 1.00 . A A . 46 LYS CD 1 1 6 4358 1 1 46 LYS CE C -6.324 4.805 0.955 1.00 . A A . 46 LYS CE 1 1 6 4359 1 1 46 LYS CG C -5.248 5.646 -1.166 1.00 . A A . 46 LYS CG 1 1 6 4360 1 1 46 LYS H H -3.025 6.560 -2.902 1.00 . A A . 46 LYS H 1 1 6 4361 1 1 46 LYS HA H -2.959 3.841 -2.979 1.00 . A A . 46 LYS HA 1 1 6 4362 1 1 46 LYS HB2 H -4.037 3.884 -0.880 1.00 . A A . 46 LYS HB2 1 1 6 4363 1 1 46 LYS HB3 H -3.117 5.372 -0.974 1.00 . A A . 46 LYS HB3 1 1 6 4364 1 1 46 LYS HD2 H -7.323 5.102 -0.934 1.00 . A A . 46 LYS HD2 1 1 6 4365 1 1 46 LYS HD3 H -6.223 3.737 -0.917 1.00 . A A . 46 LYS HD3 1 1 6 4366 1 1 46 LYS HE2 H -7.011 4.061 1.356 1.00 . A A . 46 LYS HE2 1 1 6 4367 1 1 46 LYS HE3 H -5.328 4.546 1.314 1.00 . A A . 46 LYS HE3 1 1 6 4368 1 1 46 LYS HG2 H -5.041 6.477 -0.492 1.00 . A A . 46 LYS HG2 1 1 6 4369 1 1 46 LYS HG3 H -5.588 6.076 -2.108 1.00 . A A . 46 LYS HG3 1 1 6 4370 1 1 46 LYS HZ1 H -6.329 6.335 2.370 1.00 . A A . 46 LYS HZ1 1 1 6 4371 1 1 46 LYS HZ3 H -7.705 6.267 1.502 1.00 . A A . 46 LYS HZ3 1 1 6 4372 1 1 46 LYS N N -3.235 5.809 -3.528 1.00 . A A . 46 LYS N 1 1 6 4373 1 1 46 LYS NZ N -6.699 6.151 1.444 1.00 . A A . 46 LYS NZ 1 1 6 4374 1 1 46 LYS O O -5.312 2.931 -3.590 1.00 . A A . 46 LYS O 1 1 6 4375 1 1 47 SER C C -6.513 3.675 -6.129 1.00 . A A . 47 SER C 1 1 6 4376 1 1 47 SER CA C -6.829 4.731 -5.068 1.00 . A A . 47 SER CA 1 1 6 4377 1 1 47 SER CB C -7.417 5.982 -5.723 1.00 . A A . 47 SER CB 1 1 6 4378 1 1 47 SER H H -5.352 6.010 -4.346 1.00 . A A . 47 SER H 1 1 6 4379 1 1 47 SER HA H -7.535 4.338 -4.336 1.00 . A A . 47 SER HA 1 1 6 4380 1 1 47 SER HB2 H -7.123 6.863 -5.152 1.00 . A A . 47 SER HB2 1 1 6 4381 1 1 47 SER HB3 H -7.000 6.097 -6.723 1.00 . A A . 47 SER HB3 1 1 6 4382 1 1 47 SER HG H -9.151 4.985 -5.662 1.00 . A A . 47 SER HG 1 1 6 4383 1 1 47 SER N N -5.630 5.050 -4.312 1.00 . A A . 47 SER N 1 1 6 4384 1 1 47 SER O O -7.409 2.978 -6.602 1.00 . A A . 47 SER O 1 1 6 4385 1 1 47 SER OG O -8.838 5.924 -5.805 1.00 . A A . 47 SER OG 1 1 6 4386 1 1 48 GLU C C -4.424 1.303 -6.800 1.00 . A A . 48 GLU C 1 1 6 4387 1 1 48 GLU CA C -4.790 2.631 -7.467 1.00 . A A . 48 GLU CA 1 1 6 4388 1 1 48 GLU CB C -3.613 3.183 -8.273 1.00 . A A . 48 GLU CB 1 1 6 4389 1 1 48 GLU CD C -2.971 4.918 -9.987 1.00 . A A . 48 GLU CD 1 1 6 4390 1 1 48 GLU CG C -3.951 4.550 -8.871 1.00 . A A . 48 GLU CG 1 1 6 4391 1 1 48 GLU H H -4.513 4.160 -6.081 1.00 . A A . 48 GLU H 1 1 6 4392 1 1 48 GLU HA H -5.642 2.487 -8.133 1.00 . A A . 48 GLU HA 1 1 6 4393 1 1 48 GLU HB2 H -2.737 3.270 -7.629 1.00 . A A . 48 GLU HB2 1 1 6 4394 1 1 48 GLU HB3 H -3.354 2.487 -9.070 1.00 . A A . 48 GLU HB3 1 1 6 4395 1 1 48 GLU HE2 H -3.421 6.736 -9.792 1.00 . A A . 48 GLU HE2 1 1 6 4396 1 1 48 GLU HG2 H -4.967 4.537 -9.265 1.00 . A A . 48 GLU HG2 1 1 6 4397 1 1 48 GLU HG3 H -3.921 5.310 -8.091 1.00 . A A . 48 GLU HG3 1 1 6 4398 1 1 48 GLU N N -5.236 3.590 -6.471 1.00 . A A . 48 GLU N 1 1 6 4399 1 1 48 GLU O O -4.876 0.243 -7.229 1.00 . A A . 48 GLU O 1 1 6 4400 1 1 48 GLU OE1 O -2.094 4.112 -10.333 1.00 . A A . 48 GLU OE1 1 1 6 4401 1 1 48 GLU OE2 O -3.144 6.088 -10.502 1.00 . A A . 48 GLU OE2 1 1 6 4402 1 1 49 PHE C C -4.291 -0.818 -4.965 1.00 . A A . 49 PHE C 1 1 6 4403 1 1 49 PHE CA C -3.175 0.227 -5.030 1.00 . A A . 49 PHE CA 1 1 6 4404 1 1 49 PHE CB C -2.836 0.681 -3.609 1.00 . A A . 49 PHE CB 1 1 6 4405 1 1 49 PHE CD1 C -0.684 -0.534 -3.205 1.00 . A A . 49 PHE CD1 1 1 6 4406 1 1 49 PHE CD2 C -0.667 1.818 -3.085 1.00 . A A . 49 PHE CD2 1 1 6 4407 1 1 49 PHE CE1 C 0.704 -0.559 -2.907 1.00 . A A . 49 PHE CE1 1 1 6 4408 1 1 49 PHE CE2 C 0.721 1.793 -2.787 1.00 . A A . 49 PHE CE2 1 1 6 4409 1 1 49 PHE CG C -1.340 0.654 -3.288 1.00 . A A . 49 PHE CG 1 1 6 4410 1 1 49 PHE CZ C 1.378 0.605 -2.704 1.00 . A A . 49 PHE CZ 1 1 6 4411 1 1 49 PHE H H -3.245 2.272 -5.418 1.00 . A A . 49 PHE H 1 1 6 4412 1 1 49 PHE HA H -2.321 -0.189 -5.563 1.00 . A A . 49 PHE HA 1 1 6 4413 1 1 49 PHE HB2 H -3.210 1.695 -3.463 1.00 . A A . 49 PHE HB2 1 1 6 4414 1 1 49 PHE HB3 H -3.361 0.043 -2.899 1.00 . A A . 49 PHE HB3 1 1 6 4415 1 1 49 PHE HD1 H -1.223 -1.467 -3.368 1.00 . A A . 49 PHE HD1 1 1 6 4416 1 1 49 PHE HD2 H -1.193 2.771 -3.151 1.00 . A A . 49 PHE HD2 1 1 6 4417 1 1 49 PHE HE1 H 1.230 -1.512 -2.841 1.00 . A A . 49 PHE HE1 1 1 6 4418 1 1 49 PHE HE2 H 1.261 2.726 -2.624 1.00 . A A . 49 PHE HE2 1 1 6 4419 1 1 49 PHE HZ H 2.443 0.585 -2.475 1.00 . A A . 49 PHE HZ 1 1 6 4420 1 1 49 PHE N N -3.608 1.406 -5.761 1.00 . A A . 49 PHE N 1 1 6 4421 1 1 49 PHE O O -5.448 -0.481 -4.720 1.00 . A A . 49 PHE O 1 1 6 4422 1 1 50 GLU C C -4.292 -4.334 -4.356 1.00 . A A . 50 GLU C 1 1 6 4423 1 1 50 GLU CA C -4.857 -3.162 -5.160 1.00 . A A . 50 GLU CA 1 1 6 4424 1 1 50 GLU CB C -5.233 -3.599 -6.577 1.00 . A A . 50 GLU CB 1 1 6 4425 1 1 50 GLU CD C -4.492 -4.881 -8.619 1.00 . A A . 50 GLU CD 1 1 6 4426 1 1 50 GLU CG C -4.083 -4.361 -7.239 1.00 . A A . 50 GLU CG 1 1 6 4427 1 1 50 GLU H H -2.960 -2.330 -5.388 1.00 . A A . 50 GLU H 1 1 6 4428 1 1 50 GLU HA H -5.741 -2.763 -4.663 1.00 . A A . 50 GLU HA 1 1 6 4429 1 1 50 GLU HB2 H -6.120 -4.231 -6.543 1.00 . A A . 50 GLU HB2 1 1 6 4430 1 1 50 GLU HB3 H -5.487 -2.725 -7.176 1.00 . A A . 50 GLU HB3 1 1 6 4431 1 1 50 GLU HE2 H -5.958 -6.011 -8.964 1.00 . A A . 50 GLU HE2 1 1 6 4432 1 1 50 GLU HG2 H -3.216 -3.707 -7.335 1.00 . A A . 50 GLU HG2 1 1 6 4433 1 1 50 GLU HG3 H -3.783 -5.196 -6.606 1.00 . A A . 50 GLU HG3 1 1 6 4434 1 1 50 GLU N N -3.904 -2.065 -5.190 1.00 . A A . 50 GLU N 1 1 6 4435 1 1 50 GLU O O -3.078 -4.456 -4.198 1.00 . A A . 50 GLU O 1 1 6 4436 1 1 50 GLU OE1 O -4.307 -4.180 -9.625 1.00 . A A . 50 GLU OE1 1 1 6 4437 1 1 50 GLU OE2 O -5.019 -6.058 -8.624 1.00 . A A . 50 GLU OE2 1 1 6 4438 1 1 51 ALA C C -4.656 -7.535 -4.010 1.00 . A A . 51 ALA C 1 1 6 4439 1 1 51 ALA CA C -4.807 -6.326 -3.085 1.00 . A A . 51 ALA CA 1 1 6 4440 1 1 51 ALA CB C -5.835 -6.565 -1.977 1.00 . A A . 51 ALA CB 1 1 6 4441 1 1 51 ALA H H -6.185 -5.062 -4.002 1.00 . A A . 51 ALA H 1 1 6 4442 1 1 51 ALA HA H -3.843 -6.106 -2.627 1.00 . A A . 51 ALA HA 1 1 6 4443 1 1 51 ALA HB1 H -5.349 -6.475 -1.005 1.00 . A A . 51 ALA HB1 1 1 6 4444 1 1 51 ALA HB2 H -6.632 -5.826 -2.055 1.00 . A A . 51 ALA HB2 1 1 6 4445 1 1 51 ALA HB3 H -6.256 -7.565 -2.081 1.00 . A A . 51 ALA HB3 1 1 6 4446 1 1 51 ALA N N -5.199 -5.168 -3.869 1.00 . A A . 51 ALA N 1 1 6 4447 1 1 51 ALA O O -5.643 -8.048 -4.534 1.00 . A A . 51 ALA O 1 1 6 4448 1 1 52 ALA C C -3.781 -10.345 -4.455 1.00 . A A . 52 ALA C 1 1 6 4449 1 1 52 ALA CA C -3.118 -9.095 -5.036 1.00 . A A . 52 ALA CA 1 1 6 4450 1 1 52 ALA CB C -1.602 -9.250 -5.176 1.00 . A A . 52 ALA CB 1 1 6 4451 1 1 52 ALA H H -2.613 -7.533 -3.753 1.00 . A A . 52 ALA H 1 1 6 4452 1 1 52 ALA HA H -3.542 -8.891 -6.019 1.00 . A A . 52 ALA HA 1 1 6 4453 1 1 52 ALA HB1 H -1.382 -9.951 -5.982 1.00 . A A . 52 ALA HB1 1 1 6 4454 1 1 52 ALA HB2 H -1.157 -8.282 -5.406 1.00 . A A . 52 ALA HB2 1 1 6 4455 1 1 52 ALA HB3 H -1.188 -9.629 -4.242 1.00 . A A . 52 ALA HB3 1 1 6 4456 1 1 52 ALA N N -3.411 -7.956 -4.183 1.00 . A A . 52 ALA N 1 1 6 4457 1 1 52 ALA O O -3.178 -11.057 -3.653 1.00 . A A . 52 ALA O 1 1 6 4458 2 2 1 NI NI NI 3.961 2.993 -7.250 1.00 . B A . 53 NI NI 1 1 7 4459 1 1 1 MET C C -3.837 -11.171 4.877 1.00 . A A . 1 MET C 1 1 7 4460 1 1 1 MET CA C -4.160 -11.076 6.369 1.00 . A A . 1 MET CA 1 1 7 4461 1 1 1 MET CB C -5.592 -10.568 6.551 1.00 . A A . 1 MET CB 1 1 7 4462 1 1 1 MET CE C -7.863 -9.132 8.030 1.00 . A A . 1 MET CE 1 1 7 4463 1 1 1 MET CG C -5.654 -9.045 6.420 1.00 . A A . 1 MET CG 1 1 7 4464 1 1 1 MET H1 H -2.838 -9.469 6.466 1.00 . A A . 1 MET H1 1 1 7 4465 1 1 1 MET HA H -4.021 -12.048 6.841 1.00 . A A . 1 MET HA 1 1 7 4466 1 1 1 MET HB2 H -6.242 -11.028 5.807 1.00 . A A . 1 MET HB2 1 1 7 4467 1 1 1 MET HB3 H -5.966 -10.868 7.530 1.00 . A A . 1 MET HB3 1 1 7 4468 1 1 1 MET HE1 H -7.876 -9.807 8.886 1.00 . A A . 1 MET HE1 1 1 7 4469 1 1 1 MET HE2 H -8.644 -8.381 8.148 1.00 . A A . 1 MET HE2 1 1 7 4470 1 1 1 MET HE3 H -8.039 -9.700 7.117 1.00 . A A . 1 MET HE3 1 1 7 4471 1 1 1 MET HG2 H -4.663 -8.650 6.198 1.00 . A A . 1 MET HG2 1 1 7 4472 1 1 1 MET HG3 H -6.300 -8.770 5.586 1.00 . A A . 1 MET HG3 1 1 7 4473 1 1 1 MET N N -3.238 -10.179 7.045 1.00 . A A . 1 MET N 1 1 7 4474 1 1 1 MET O O -3.850 -12.259 4.303 1.00 . A A . 1 MET O 1 1 7 4475 1 1 1 MET SD S -6.273 -8.326 7.932 1.00 . A A . 1 MET SD 1 1 7 4476 1 1 2 LYS C C -2.519 -8.634 2.576 1.00 . A A . 2 LYS C 1 1 7 4477 1 1 2 LYS CA C -3.230 -9.956 2.876 1.00 . A A . 2 LYS CA 1 1 7 4478 1 1 2 LYS CB C -4.482 -10.187 2.027 1.00 . A A . 2 LYS CB 1 1 7 4479 1 1 2 LYS CD C -6.845 -9.382 1.667 1.00 . A A . 2 LYS CD 1 1 7 4480 1 1 2 LYS CE C -7.411 -8.343 0.697 1.00 . A A . 2 LYS CE 1 1 7 4481 1 1 2 LYS CG C -5.437 -8.995 2.123 1.00 . A A . 2 LYS CG 1 1 7 4482 1 1 2 LYS H H -3.547 -9.136 4.764 1.00 . A A . 2 LYS H 1 1 7 4483 1 1 2 LYS HA H -2.541 -10.774 2.663 1.00 . A A . 2 LYS HA 1 1 7 4484 1 1 2 LYS HB2 H -4.197 -10.346 0.987 1.00 . A A . 2 LYS HB2 1 1 7 4485 1 1 2 LYS HB3 H -4.990 -11.092 2.361 1.00 . A A . 2 LYS HB3 1 1 7 4486 1 1 2 LYS HD2 H -6.819 -10.359 1.184 1.00 . A A . 2 LYS HD2 1 1 7 4487 1 1 2 LYS HD3 H -7.500 -9.472 2.533 1.00 . A A . 2 LYS HD3 1 1 7 4488 1 1 2 LYS HE2 H -6.599 -7.758 0.266 1.00 . A A . 2 LYS HE2 1 1 7 4489 1 1 2 LYS HE3 H -7.915 -8.845 -0.129 1.00 . A A . 2 LYS HE3 1 1 7 4490 1 1 2 LYS HG2 H -5.470 -8.633 3.151 1.00 . A A . 2 LYS HG2 1 1 7 4491 1 1 2 LYS HG3 H -5.064 -8.175 1.509 1.00 . A A . 2 LYS HG3 1 1 7 4492 1 1 2 LYS HZ1 H -9.310 -7.561 1.054 1.00 . A A . 2 LYS HZ1 1 1 7 4493 1 1 2 LYS HZ3 H -8.121 -6.470 1.270 1.00 . A A . 2 LYS HZ3 1 1 7 4494 1 1 2 LYS N N -3.555 -10.016 4.290 1.00 . A A . 2 LYS N 1 1 7 4495 1 1 2 LYS NZ N -8.361 -7.447 1.393 1.00 . A A . 2 LYS NZ 1 1 7 4496 1 1 2 LYS O O -2.781 -7.624 3.226 1.00 . A A . 2 LYS O 1 1 7 4497 1 1 3 LYS C C -1.265 -7.116 -0.231 1.00 . A A . 3 LYS C 1 1 7 4498 1 1 3 LYS CA C -0.884 -7.504 1.198 1.00 . A A . 3 LYS CA 1 1 7 4499 1 1 3 LYS CB C 0.616 -7.733 1.394 1.00 . A A . 3 LYS CB 1 1 7 4500 1 1 3 LYS CD C 1.407 -8.165 3.749 1.00 . A A . 3 LYS CD 1 1 7 4501 1 1 3 LYS CE C 0.198 -8.402 4.656 1.00 . A A . 3 LYS CE 1 1 7 4502 1 1 3 LYS CG C 1.103 -7.096 2.698 1.00 . A A . 3 LYS CG 1 1 7 4503 1 1 3 LYS H H -1.427 -9.511 1.068 1.00 . A A . 3 LYS H 1 1 7 4504 1 1 3 LYS HA H -1.176 -6.694 1.866 1.00 . A A . 3 LYS HA 1 1 7 4505 1 1 3 LYS HB2 H 0.827 -8.802 1.407 1.00 . A A . 3 LYS HB2 1 1 7 4506 1 1 3 LYS HB3 H 1.165 -7.311 0.552 1.00 . A A . 3 LYS HB3 1 1 7 4507 1 1 3 LYS HD2 H 1.685 -9.097 3.256 1.00 . A A . 3 LYS HD2 1 1 7 4508 1 1 3 LYS HD3 H 2.262 -7.855 4.351 1.00 . A A . 3 LYS HD3 1 1 7 4509 1 1 3 LYS HE2 H -0.073 -7.475 5.161 1.00 . A A . 3 LYS HE2 1 1 7 4510 1 1 3 LYS HE3 H -0.661 -8.701 4.056 1.00 . A A . 3 LYS HE3 1 1 7 4511 1 1 3 LYS HG2 H 1.997 -6.504 2.506 1.00 . A A . 3 LYS HG2 1 1 7 4512 1 1 3 LYS HG3 H 0.344 -6.413 3.078 1.00 . A A . 3 LYS HG3 1 1 7 4513 1 1 3 LYS HZ1 H 1.341 -9.965 5.427 1.00 . A A . 3 LYS HZ1 1 1 7 4514 1 1 3 LYS HZ3 H -0.250 -10.130 5.733 1.00 . A A . 3 LYS HZ3 1 1 7 4515 1 1 3 LYS N N -1.634 -8.685 1.592 1.00 . A A . 3 LYS N 1 1 7 4516 1 1 3 LYS NZ N 0.499 -9.450 5.657 1.00 . A A . 3 LYS NZ 1 1 7 4517 1 1 3 LYS O O -1.717 -7.957 -1.007 1.00 . A A . 3 LYS O 1 1 7 4518 1 1 4 TYR C C -0.143 -4.755 -2.539 1.00 . A A . 4 TYR C 1 1 7 4519 1 1 4 TYR CA C -1.387 -5.332 -1.860 1.00 . A A . 4 TYR CA 1 1 7 4520 1 1 4 TYR CB C -2.403 -4.208 -1.645 1.00 . A A . 4 TYR CB 1 1 7 4521 1 1 4 TYR CD1 C -2.409 -3.801 0.843 1.00 . A A . 4 TYR CD1 1 1 7 4522 1 1 4 TYR CD2 C -4.380 -4.707 -0.161 1.00 . A A . 4 TYR CD2 1 1 7 4523 1 1 4 TYR CE1 C -3.052 -3.830 2.131 1.00 . A A . 4 TYR CE1 1 1 7 4524 1 1 4 TYR CE2 C -5.023 -4.736 1.127 1.00 . A A . 4 TYR CE2 1 1 7 4525 1 1 4 TYR CG C -3.086 -4.239 -0.277 1.00 . A A . 4 TYR CG 1 1 7 4526 1 1 4 TYR CZ C -4.327 -4.296 2.209 1.00 . A A . 4 TYR CZ 1 1 7 4527 1 1 4 TYR H H -0.701 -5.164 0.100 1.00 . A A . 4 TYR H 1 1 7 4528 1 1 4 TYR HA H -1.767 -6.160 -2.457 1.00 . A A . 4 TYR HA 1 1 7 4529 1 1 4 TYR HB2 H -1.900 -3.249 -1.767 1.00 . A A . 4 TYR HB2 1 1 7 4530 1 1 4 TYR HB3 H -3.166 -4.269 -2.422 1.00 . A A . 4 TYR HB3 1 1 7 4531 1 1 4 TYR HD1 H -1.387 -3.432 0.752 1.00 . A A . 4 TYR HD1 1 1 7 4532 1 1 4 TYR HD2 H -4.915 -5.053 -1.046 1.00 . A A . 4 TYR HD2 1 1 7 4533 1 1 4 TYR HE1 H -2.528 -3.486 3.023 1.00 . A A . 4 TYR HE1 1 1 7 4534 1 1 4 TYR HE2 H -6.044 -5.103 1.232 1.00 . A A . 4 TYR HE2 1 1 7 4535 1 1 4 TYR HH H -4.246 -4.345 4.151 1.00 . A A . 4 TYR HH 1 1 7 4536 1 1 4 TYR N N -1.069 -5.842 -0.537 1.00 . A A . 4 TYR N 1 1 7 4537 1 1 4 TYR O O 0.956 -4.828 -1.992 1.00 . A A . 4 TYR O 1 1 7 4538 1 1 4 TYR OH O -4.934 -4.324 3.426 1.00 . A A . 4 TYR OH 1 1 7 4539 1 1 5 VAL C C 0.180 -2.503 -5.384 1.00 . A A . 5 VAL C 1 1 7 4540 1 1 5 VAL CA C 0.731 -3.607 -4.479 1.00 . A A . 5 VAL CA 1 1 7 4541 1 1 5 VAL CB C 1.478 -4.696 -5.252 1.00 . A A . 5 VAL CB 1 1 7 4542 1 1 5 VAL CG1 C 2.479 -4.083 -6.234 1.00 . A A . 5 VAL CG1 1 1 7 4543 1 1 5 VAL CG2 C 2.173 -5.668 -4.296 1.00 . A A . 5 VAL CG2 1 1 7 4544 1 1 5 VAL H H -1.256 -4.140 -4.157 1.00 . A A . 5 VAL H 1 1 7 4545 1 1 5 VAL HA H 1.426 -3.162 -3.767 1.00 . A A . 5 VAL HA 1 1 7 4546 1 1 5 VAL HB H 0.746 -5.260 -5.829 1.00 . A A . 5 VAL HB 1 1 7 4547 1 1 5 VAL HG11 H 1.977 -3.331 -6.842 1.00 . A A . 5 VAL HG11 1 1 7 4548 1 1 5 VAL HG12 H 3.294 -3.617 -5.679 1.00 . A A . 5 VAL HG12 1 1 7 4549 1 1 5 VAL HG13 H 2.880 -4.864 -6.879 1.00 . A A . 5 VAL HG13 1 1 7 4550 1 1 5 VAL HG21 H 2.702 -6.427 -4.872 1.00 . A A . 5 VAL HG21 1 1 7 4551 1 1 5 VAL HG22 H 2.883 -5.122 -3.675 1.00 . A A . 5 VAL HG22 1 1 7 4552 1 1 5 VAL HG23 H 1.428 -6.147 -3.661 1.00 . A A . 5 VAL HG23 1 1 7 4553 1 1 5 VAL N N -0.359 -4.195 -3.720 1.00 . A A . 5 VAL N 1 1 7 4554 1 1 5 VAL O O -0.991 -2.531 -5.759 1.00 . A A . 5 VAL O 1 1 7 4555 1 1 6 CYS C C 0.469 -0.978 -7.983 1.00 . A A . 6 CYS C 1 1 7 4556 1 1 6 CYS CA C 0.664 -0.447 -6.561 1.00 . A A . 6 CYS CA 1 1 7 4557 1 1 6 CYS CB C 1.690 0.687 -6.512 1.00 . A A . 6 CYS CB 1 1 7 4558 1 1 6 CYS H H 2.000 -1.543 -5.398 1.00 . A A . 6 CYS H 1 1 7 4559 1 1 6 CYS HA H -0.272 -0.056 -6.163 1.00 . A A . 6 CYS HA 1 1 7 4560 1 1 6 CYS HB2 H 1.633 1.167 -5.535 1.00 . A A . 6 CYS HB2 1 1 7 4561 1 1 6 CYS HB3 H 2.688 0.259 -6.600 1.00 . A A . 6 CYS HB3 1 1 7 4562 1 1 6 CYS N N 1.049 -1.558 -5.708 1.00 . A A . 6 CYS N 1 1 7 4563 1 1 6 CYS O O 0.941 -2.065 -8.313 1.00 . A A . 6 CYS O 1 1 7 4564 1 1 6 CYS SG S 1.484 1.965 -7.806 1.00 . A A . 6 CYS SG 1 1 7 4565 1 1 7 THR C C 0.660 -0.120 -11.068 1.00 . A A . 7 THR C 1 1 7 4566 1 1 7 THR CA C -0.491 -0.565 -10.164 1.00 . A A . 7 THR CA 1 1 7 4567 1 1 7 THR CB C -1.843 0.028 -10.566 1.00 . A A . 7 THR CB 1 1 7 4568 1 1 7 THR CG2 C -3.022 -0.771 -10.008 1.00 . A A . 7 THR CG2 1 1 7 4569 1 1 7 THR H H -0.608 0.695 -8.509 1.00 . A A . 7 THR H 1 1 7 4570 1 1 7 THR HA H -0.539 -1.652 -10.219 1.00 . A A . 7 THR HA 1 1 7 4571 1 1 7 THR HB H -1.918 0.126 -11.649 1.00 . A A . 7 THR HB 1 1 7 4572 1 1 7 THR HG1 H -1.846 2.028 -10.513 1.00 . A A . 7 THR HG1 1 1 7 4573 1 1 7 THR HG21 H -3.384 -1.465 -10.767 1.00 . A A . 7 THR HG21 1 1 7 4574 1 1 7 THR HG22 H -2.699 -1.331 -9.130 1.00 . A A . 7 THR HG22 1 1 7 4575 1 1 7 THR HG23 H -3.824 -0.088 -9.728 1.00 . A A . 7 THR HG23 1 1 7 4576 1 1 7 THR N N -0.228 -0.187 -8.786 1.00 . A A . 7 THR N 1 1 7 4577 1 1 7 THR O O 1.486 -0.936 -11.475 1.00 . A A . 7 THR O 1 1 7 4578 1 1 7 THR OG1 O -1.901 1.267 -9.866 1.00 . A A . 7 THR OG1 1 1 7 4579 1 1 8 VAL C C 3.054 1.069 -11.878 1.00 . A A . 8 VAL C 1 1 7 4580 1 1 8 VAL CA C 1.716 1.736 -12.203 1.00 . A A . 8 VAL CA 1 1 7 4581 1 1 8 VAL CB C 1.752 3.258 -12.045 1.00 . A A . 8 VAL CB 1 1 7 4582 1 1 8 VAL CG1 C 0.476 3.897 -12.596 1.00 . A A . 8 VAL CG1 1 1 7 4583 1 1 8 VAL CG2 C 1.977 3.652 -10.584 1.00 . A A . 8 VAL CG2 1 1 7 4584 1 1 8 VAL H H 0.004 1.831 -11.020 1.00 . A A . 8 VAL H 1 1 7 4585 1 1 8 VAL HA H 1.454 1.511 -13.237 1.00 . A A . 8 VAL HA 1 1 7 4586 1 1 8 VAL HB H 2.593 3.635 -12.627 1.00 . A A . 8 VAL HB 1 1 7 4587 1 1 8 VAL HG11 H -0.285 3.918 -11.815 1.00 . A A . 8 VAL HG11 1 1 7 4588 1 1 8 VAL HG12 H 0.690 4.914 -12.922 1.00 . A A . 8 VAL HG12 1 1 7 4589 1 1 8 VAL HG13 H 0.112 3.313 -13.441 1.00 . A A . 8 VAL HG13 1 1 7 4590 1 1 8 VAL HG21 H 2.016 4.738 -10.503 1.00 . A A . 8 VAL HG21 1 1 7 4591 1 1 8 VAL HG22 H 1.157 3.271 -9.975 1.00 . A A . 8 VAL HG22 1 1 7 4592 1 1 8 VAL HG23 H 2.918 3.227 -10.234 1.00 . A A . 8 VAL HG23 1 1 7 4593 1 1 8 VAL N N 0.679 1.173 -11.355 1.00 . A A . 8 VAL N 1 1 7 4594 1 1 8 VAL O O 3.776 0.646 -12.779 1.00 . A A . 8 VAL O 1 1 7 4595 1 1 9 CYS C C 4.233 -0.752 -9.173 1.00 . A A . 9 CYS C 1 1 7 4596 1 1 9 CYS CA C 4.582 0.389 -10.131 1.00 . A A . 9 CYS CA 1 1 7 4597 1 1 9 CYS CB C 5.510 1.416 -9.479 1.00 . A A . 9 CYS CB 1 1 7 4598 1 1 9 CYS H H 2.751 1.344 -9.860 1.00 . A A . 9 CYS H 1 1 7 4599 1 1 9 CYS HA H 5.089 0.009 -11.017 1.00 . A A . 9 CYS HA 1 1 7 4600 1 1 9 CYS HB2 H 6.539 1.177 -9.748 1.00 . A A . 9 CYS HB2 1 1 7 4601 1 1 9 CYS HB3 H 5.292 2.399 -9.897 1.00 . A A . 9 CYS HB3 1 1 7 4602 1 1 9 CYS N N 3.344 0.997 -10.587 1.00 . A A . 9 CYS N 1 1 7 4603 1 1 9 CYS O O 3.060 -0.998 -8.896 1.00 . A A . 9 CYS O 1 1 7 4604 1 1 9 CYS SG S 5.388 1.514 -7.656 1.00 . A A . 9 CYS SG 1 1 7 4605 1 1 10 GLY C C 4.975 -2.032 -6.332 1.00 . A A . 10 GLY C 1 1 7 4606 1 1 10 GLY CA C 5.090 -2.529 -7.774 1.00 . A A . 10 GLY CA 1 1 7 4607 1 1 10 GLY H H 6.223 -1.214 -8.925 1.00 . A A . 10 GLY H 1 1 7 4608 1 1 10 GLY HA2 H 4.192 -3.086 -8.044 1.00 . A A . 10 GLY HA2 1 1 7 4609 1 1 10 GLY HA3 H 5.930 -3.218 -7.859 1.00 . A A . 10 GLY HA3 1 1 7 4610 1 1 10 GLY N N 5.272 -1.420 -8.695 1.00 . A A . 10 GLY N 1 1 7 4611 1 1 10 GLY O O 3.970 -1.429 -5.958 1.00 . A A . 10 GLY O 1 1 7 4612 1 1 11 TYR C C 4.826 -2.425 -3.413 1.00 . A A . 11 TYR C 1 1 7 4613 1 1 11 TYR CA C 6.046 -1.891 -4.168 1.00 . A A . 11 TYR CA 1 1 7 4614 1 1 11 TYR CB C 5.995 -0.362 -4.180 1.00 . A A . 11 TYR CB 1 1 7 4615 1 1 11 TYR CD1 C 6.682 0.343 -1.859 1.00 . A A . 11 TYR CD1 1 1 7 4616 1 1 11 TYR CD2 C 4.426 0.740 -2.542 1.00 . A A . 11 TYR CD2 1 1 7 4617 1 1 11 TYR CE1 C 6.396 0.930 -0.575 1.00 . A A . 11 TYR CE1 1 1 7 4618 1 1 11 TYR CE2 C 4.140 1.326 -1.258 1.00 . A A . 11 TYR CE2 1 1 7 4619 1 1 11 TYR CG C 5.691 0.261 -2.816 1.00 . A A . 11 TYR CG 1 1 7 4620 1 1 11 TYR CZ C 5.139 1.392 -0.338 1.00 . A A . 11 TYR CZ 1 1 7 4621 1 1 11 TYR H H 6.831 -2.795 -5.873 1.00 . A A . 11 TYR H 1 1 7 4622 1 1 11 TYR HA H 6.950 -2.297 -3.715 1.00 . A A . 11 TYR HA 1 1 7 4623 1 1 11 TYR HB2 H 6.950 0.021 -4.538 1.00 . A A . 11 TYR HB2 1 1 7 4624 1 1 11 TYR HB3 H 5.235 -0.040 -4.892 1.00 . A A . 11 TYR HB3 1 1 7 4625 1 1 11 TYR HD1 H 7.681 -0.035 -2.075 1.00 . A A . 11 TYR HD1 1 1 7 4626 1 1 11 TYR HD2 H 3.643 0.674 -3.298 1.00 . A A . 11 TYR HD2 1 1 7 4627 1 1 11 TYR HE1 H 7.169 1.001 0.190 1.00 . A A . 11 TYR HE1 1 1 7 4628 1 1 11 TYR HE2 H 3.145 1.708 -1.030 1.00 . A A . 11 TYR HE2 1 1 7 4629 1 1 11 TYR HH H 5.721 2.200 1.332 1.00 . A A . 11 TYR HH 1 1 7 4630 1 1 11 TYR N N 6.017 -2.304 -5.561 1.00 . A A . 11 TYR N 1 1 7 4631 1 1 11 TYR O O 3.695 -2.043 -3.706 1.00 . A A . 11 TYR O 1 1 7 4632 1 1 11 TYR OH O 4.868 1.946 0.874 1.00 . A A . 11 TYR OH 1 1 7 4633 1 1 12 GLU C C 3.917 -3.163 -0.316 1.00 . A A . 12 GLU C 1 1 7 4634 1 1 12 GLU CA C 4.038 -3.889 -1.657 1.00 . A A . 12 GLU CA 1 1 7 4635 1 1 12 GLU CB C 4.275 -5.387 -1.451 1.00 . A A . 12 GLU CB 1 1 7 4636 1 1 12 GLU CD C 5.872 -7.117 -0.548 1.00 . A A . 12 GLU CD 1 1 7 4637 1 1 12 GLU CG C 5.507 -5.631 -0.578 1.00 . A A . 12 GLU CG 1 1 7 4638 1 1 12 GLU H H 6.022 -3.605 -2.224 1.00 . A A . 12 GLU H 1 1 7 4639 1 1 12 GLU HA H 3.126 -3.749 -2.238 1.00 . A A . 12 GLU HA 1 1 7 4640 1 1 12 GLU HB2 H 3.399 -5.836 -0.984 1.00 . A A . 12 GLU HB2 1 1 7 4641 1 1 12 GLU HB3 H 4.407 -5.874 -2.417 1.00 . A A . 12 GLU HB3 1 1 7 4642 1 1 12 GLU HE2 H 6.170 -6.966 1.306 1.00 . A A . 12 GLU HE2 1 1 7 4643 1 1 12 GLU HG2 H 6.349 -5.055 -0.961 1.00 . A A . 12 GLU HG2 1 1 7 4644 1 1 12 GLU HG3 H 5.315 -5.280 0.436 1.00 . A A . 12 GLU HG3 1 1 7 4645 1 1 12 GLU N N 5.099 -3.300 -2.456 1.00 . A A . 12 GLU N 1 1 7 4646 1 1 12 GLU O O 4.924 -2.858 0.321 1.00 . A A . 12 GLU O 1 1 7 4647 1 1 12 GLU OE1 O 5.585 -7.845 -1.509 1.00 . A A . 12 GLU OE1 1 1 7 4648 1 1 12 GLU OE2 O 6.475 -7.509 0.523 1.00 . A A . 12 GLU OE2 1 1 7 4649 1 1 13 TYR C C 2.259 -3.222 2.475 1.00 . A A . 13 TYR C 1 1 7 4650 1 1 13 TYR CA C 2.412 -2.223 1.326 1.00 . A A . 13 TYR CA 1 1 7 4651 1 1 13 TYR CB C 1.087 -1.483 1.131 1.00 . A A . 13 TYR CB 1 1 7 4652 1 1 13 TYR CD1 C 0.958 0.370 2.836 1.00 . A A . 13 TYR CD1 1 1 7 4653 1 1 13 TYR CD2 C -0.425 -1.555 3.147 1.00 . A A . 13 TYR CD2 1 1 7 4654 1 1 13 TYR CE1 C 0.426 0.948 4.043 1.00 . A A . 13 TYR CE1 1 1 7 4655 1 1 13 TYR CE2 C -0.957 -0.977 4.354 1.00 . A A . 13 TYR CE2 1 1 7 4656 1 1 13 TYR CG C 0.522 -0.869 2.413 1.00 . A A . 13 TYR CG 1 1 7 4657 1 1 13 TYR CZ C -0.505 0.246 4.742 1.00 . A A . 13 TYR CZ 1 1 7 4658 1 1 13 TYR H H 1.863 -3.159 -0.452 1.00 . A A . 13 TYR H 1 1 7 4659 1 1 13 TYR HA H 3.255 -1.566 1.536 1.00 . A A . 13 TYR HA 1 1 7 4660 1 1 13 TYR HB2 H 1.229 -0.693 0.394 1.00 . A A . 13 TYR HB2 1 1 7 4661 1 1 13 TYR HB3 H 0.353 -2.175 0.718 1.00 . A A . 13 TYR HB3 1 1 7 4662 1 1 13 TYR HD1 H 1.706 0.911 2.256 1.00 . A A . 13 TYR HD1 1 1 7 4663 1 1 13 TYR HD2 H -0.770 -2.533 2.813 1.00 . A A . 13 TYR HD2 1 1 7 4664 1 1 13 TYR HE1 H 0.762 1.925 4.388 1.00 . A A . 13 TYR HE1 1 1 7 4665 1 1 13 TYR HE2 H -1.705 -1.507 4.944 1.00 . A A . 13 TYR HE2 1 1 7 4666 1 1 13 TYR HH H -0.867 0.167 6.651 1.00 . A A . 13 TYR HH 1 1 7 4667 1 1 13 TYR N N 2.677 -2.908 0.072 1.00 . A A . 13 TYR N 1 1 7 4668 1 1 13 TYR O O 1.569 -4.231 2.337 1.00 . A A . 13 TYR O 1 1 7 4669 1 1 13 TYR OH O -1.007 0.791 5.882 1.00 . A A . 13 TYR OH 1 1 7 4670 1 1 14 ASP C C 1.984 -3.107 5.821 1.00 . A A . 14 ASP C 1 1 7 4671 1 1 14 ASP CA C 2.861 -3.764 4.754 1.00 . A A . 14 ASP CA 1 1 7 4672 1 1 14 ASP CB C 4.255 -3.972 5.349 1.00 . A A . 14 ASP CB 1 1 7 4673 1 1 14 ASP CG C 4.808 -5.393 5.221 1.00 . A A . 14 ASP CG 1 1 7 4674 1 1 14 ASP H H 3.474 -2.084 3.686 1.00 . A A . 14 ASP H 1 1 7 4675 1 1 14 ASP HA H 2.449 -4.709 4.399 1.00 . A A . 14 ASP HA 1 1 7 4676 1 1 14 ASP HB2 H 4.947 -3.284 4.864 1.00 . A A . 14 ASP HB2 1 1 7 4677 1 1 14 ASP HB3 H 4.227 -3.703 6.405 1.00 . A A . 14 ASP HB3 1 1 7 4678 1 1 14 ASP HD2 H 4.672 -6.925 4.134 1.00 . A A . 14 ASP HD2 1 1 7 4679 1 1 14 ASP N N 2.915 -2.907 3.582 1.00 . A A . 14 ASP N 1 1 7 4680 1 1 14 ASP O O 2.383 -2.119 6.435 1.00 . A A . 14 ASP O 1 1 7 4681 1 1 14 ASP OD1 O 5.342 -5.960 6.186 1.00 . A A . 14 ASP OD1 1 1 7 4682 1 1 14 ASP OD2 O 4.672 -5.928 4.055 1.00 . A A . 14 ASP OD2 1 1 7 4683 1 1 15 PRO C C 0.280 -3.539 8.419 1.00 . A A . 15 PRO C 1 1 7 4684 1 1 15 PRO CA C -0.162 -3.181 6.998 1.00 . A A . 15 PRO CA 1 1 7 4685 1 1 15 PRO CB C -1.503 -3.789 6.622 1.00 . A A . 15 PRO CB 1 1 7 4686 1 1 15 PRO CD C 0.269 -4.870 5.307 1.00 . A A . 15 PRO CD 1 1 7 4687 1 1 15 PRO CG C -1.186 -4.981 5.734 1.00 . A A . 15 PRO CG 1 1 7 4688 1 1 15 PRO HA H -0.185 -2.182 6.963 1.00 . A A . 15 PRO HA 1 1 7 4689 1 1 15 PRO HB2 H -2.055 -4.099 7.510 1.00 . A A . 15 PRO HB2 1 1 7 4690 1 1 15 PRO HB3 H -2.127 -3.066 6.096 1.00 . A A . 15 PRO HB3 1 1 7 4691 1 1 15 PRO HD2 H 0.829 -5.766 5.573 1.00 . A A . 15 PRO HD2 1 1 7 4692 1 1 15 PRO HD3 H 0.356 -4.748 4.227 1.00 . A A . 15 PRO HD3 1 1 7 4693 1 1 15 PRO HG2 H -1.355 -5.914 6.272 1.00 . A A . 15 PRO HG2 1 1 7 4694 1 1 15 PRO HG3 H -1.840 -4.993 4.862 1.00 . A A . 15 PRO HG3 1 1 7 4695 1 1 15 PRO N N 0.775 -3.698 6.015 1.00 . A A . 15 PRO N 1 1 7 4696 1 1 15 PRO O O 0.061 -2.770 9.353 1.00 . A A . 15 PRO O 1 1 7 4697 1 1 16 ALA C C 2.616 -4.388 10.225 1.00 . A A . 16 ALA C 1 1 7 4698 1 1 16 ALA CA C 1.367 -5.178 9.827 1.00 . A A . 16 ALA CA 1 1 7 4699 1 1 16 ALA CB C 1.627 -6.684 9.758 1.00 . A A . 16 ALA CB 1 1 7 4700 1 1 16 ALA H H 1.066 -5.328 7.771 1.00 . A A . 16 ALA H 1 1 7 4701 1 1 16 ALA HA H 0.580 -4.991 10.557 1.00 . A A . 16 ALA HA 1 1 7 4702 1 1 16 ALA HB1 H 1.404 -7.046 8.754 1.00 . A A . 16 ALA HB1 1 1 7 4703 1 1 16 ALA HB2 H 2.673 -6.883 9.991 1.00 . A A . 16 ALA HB2 1 1 7 4704 1 1 16 ALA HB3 H 0.990 -7.196 10.478 1.00 . A A . 16 ALA HB3 1 1 7 4705 1 1 16 ALA N N 0.893 -4.708 8.536 1.00 . A A . 16 ALA N 1 1 7 4706 1 1 16 ALA O O 3.084 -4.490 11.357 1.00 . A A . 16 ALA O 1 1 7 4707 1 1 17 GLU C C 3.934 -1.330 9.567 1.00 . A A . 17 GLU C 1 1 7 4708 1 1 17 GLU CA C 4.305 -2.813 9.507 1.00 . A A . 17 GLU CA 1 1 7 4709 1 1 17 GLU CB C 5.366 -3.071 8.436 1.00 . A A . 17 GLU CB 1 1 7 4710 1 1 17 GLU CD C 7.021 -3.662 10.245 1.00 . A A . 17 GLU CD 1 1 7 4711 1 1 17 GLU CG C 6.772 -2.826 8.987 1.00 . A A . 17 GLU CG 1 1 7 4712 1 1 17 GLU H H 2.733 -3.543 8.352 1.00 . A A . 17 GLU H 1 1 7 4713 1 1 17 GLU HA H 4.688 -3.138 10.475 1.00 . A A . 17 GLU HA 1 1 7 4714 1 1 17 GLU HB2 H 5.285 -4.097 8.078 1.00 . A A . 17 GLU HB2 1 1 7 4715 1 1 17 GLU HB3 H 5.189 -2.420 7.580 1.00 . A A . 17 GLU HB3 1 1 7 4716 1 1 17 GLU HE2 H 7.612 -3.237 11.982 1.00 . A A . 17 GLU HE2 1 1 7 4717 1 1 17 GLU HG2 H 7.513 -3.076 8.228 1.00 . A A . 17 GLU HG2 1 1 7 4718 1 1 17 GLU HG3 H 6.897 -1.769 9.219 1.00 . A A . 17 GLU HG3 1 1 7 4719 1 1 17 GLU N N 3.120 -3.619 9.270 1.00 . A A . 17 GLU N 1 1 7 4720 1 1 17 GLU O O 4.211 -0.656 10.558 1.00 . A A . 17 GLU O 1 1 7 4721 1 1 17 GLU OE1 O 7.354 -4.852 10.143 1.00 . A A . 17 GLU OE1 1 1 7 4722 1 1 17 GLU OE2 O 6.857 -3.032 11.359 1.00 . A A . 17 GLU OE2 1 1 7 4723 1 1 18 GLY C C 3.639 1.250 7.280 1.00 . A A . 18 GLY C 1 1 7 4724 1 1 18 GLY CA C 2.903 0.527 8.410 1.00 . A A . 18 GLY CA 1 1 7 4725 1 1 18 GLY H H 3.093 -1.419 7.690 1.00 . A A . 18 GLY H 1 1 7 4726 1 1 18 GLY HA2 H 1.827 0.583 8.242 1.00 . A A . 18 GLY HA2 1 1 7 4727 1 1 18 GLY HA3 H 3.104 1.026 9.358 1.00 . A A . 18 GLY HA3 1 1 7 4728 1 1 18 GLY N N 3.314 -0.864 8.492 1.00 . A A . 18 GLY N 1 1 7 4729 1 1 18 GLY O O 3.705 0.751 6.158 1.00 . A A . 18 GLY O 1 1 7 4730 1 1 19 ASP C C 5.412 4.489 7.316 1.00 . A A . 19 ASP C 1 1 7 4731 1 1 19 ASP CA C 4.903 3.212 6.644 1.00 . A A . 19 ASP CA 1 1 7 4732 1 1 19 ASP CB C 4.000 3.619 5.478 1.00 . A A . 19 ASP CB 1 1 7 4733 1 1 19 ASP CG C 4.698 3.704 4.119 1.00 . A A . 19 ASP CG 1 1 7 4734 1 1 19 ASP H H 4.116 2.814 8.531 1.00 . A A . 19 ASP H 1 1 7 4735 1 1 19 ASP HA H 5.714 2.571 6.299 1.00 . A A . 19 ASP HA 1 1 7 4736 1 1 19 ASP HB2 H 3.181 2.903 5.405 1.00 . A A . 19 ASP HB2 1 1 7 4737 1 1 19 ASP HB3 H 3.557 4.589 5.703 1.00 . A A . 19 ASP HB3 1 1 7 4738 1 1 19 ASP HD2 H 3.816 5.277 3.579 1.00 . A A . 19 ASP HD2 1 1 7 4739 1 1 19 ASP N N 4.174 2.415 7.616 1.00 . A A . 19 ASP N 1 1 7 4740 1 1 19 ASP O O 4.627 5.262 7.862 1.00 . A A . 19 ASP O 1 1 7 4741 1 1 19 ASP OD1 O 5.183 2.695 3.586 1.00 . A A . 19 ASP OD1 1 1 7 4742 1 1 19 ASP OD2 O 4.735 4.883 3.597 1.00 . A A . 19 ASP OD2 1 1 7 4743 1 1 20 PRO C C 7.133 7.091 6.997 1.00 . A A . 20 PRO C 1 1 7 4744 1 1 20 PRO CA C 7.380 5.844 7.849 1.00 . A A . 20 PRO CA 1 1 7 4745 1 1 20 PRO CB C 8.853 5.488 7.968 1.00 . A A . 20 PRO CB 1 1 7 4746 1 1 20 PRO CD C 7.718 3.779 6.615 1.00 . A A . 20 PRO CD 1 1 7 4747 1 1 20 PRO CG C 9.079 4.326 7.014 1.00 . A A . 20 PRO CG 1 1 7 4748 1 1 20 PRO HA H 6.973 6.038 8.741 1.00 . A A . 20 PRO HA 1 1 7 4749 1 1 20 PRO HB2 H 9.483 6.338 7.704 1.00 . A A . 20 PRO HB2 1 1 7 4750 1 1 20 PRO HB3 H 9.107 5.209 8.990 1.00 . A A . 20 PRO HB3 1 1 7 4751 1 1 20 PRO HD2 H 7.596 3.774 5.532 1.00 . A A . 20 PRO HD2 1 1 7 4752 1 1 20 PRO HD3 H 7.589 2.752 6.955 1.00 . A A . 20 PRO HD3 1 1 7 4753 1 1 20 PRO HG2 H 9.632 4.655 6.135 1.00 . A A . 20 PRO HG2 1 1 7 4754 1 1 20 PRO HG3 H 9.676 3.550 7.493 1.00 . A A . 20 PRO HG3 1 1 7 4755 1 1 20 PRO N N 6.757 4.674 7.253 1.00 . A A . 20 PRO N 1 1 7 4756 1 1 20 PRO O O 6.927 8.180 7.530 1.00 . A A . 20 PRO O 1 1 7 4757 1 1 21 ASP C C 5.762 8.828 5.238 1.00 . A A . 21 ASP C 1 1 7 4758 1 1 21 ASP CA C 6.944 7.983 4.757 1.00 . A A . 21 ASP CA 1 1 7 4759 1 1 21 ASP CB C 6.612 7.459 3.359 1.00 . A A . 21 ASP CB 1 1 7 4760 1 1 21 ASP CG C 7.054 8.364 2.207 1.00 . A A . 21 ASP CG 1 1 7 4761 1 1 21 ASP H H 7.330 6.000 5.263 1.00 . A A . 21 ASP H 1 1 7 4762 1 1 21 ASP HA H 7.879 8.542 4.748 1.00 . A A . 21 ASP HA 1 1 7 4763 1 1 21 ASP HB2 H 7.079 6.482 3.233 1.00 . A A . 21 ASP HB2 1 1 7 4764 1 1 21 ASP HB3 H 5.535 7.308 3.289 1.00 . A A . 21 ASP HB3 1 1 7 4765 1 1 21 ASP HD2 H 6.321 9.885 1.374 1.00 . A A . 21 ASP HD2 1 1 7 4766 1 1 21 ASP N N 7.162 6.889 5.688 1.00 . A A . 21 ASP N 1 1 7 4767 1 1 21 ASP O O 5.882 10.043 5.386 1.00 . A A . 21 ASP O 1 1 7 4768 1 1 21 ASP OD1 O 8.256 8.522 1.944 1.00 . A A . 21 ASP OD1 1 1 7 4769 1 1 21 ASP OD2 O 6.093 8.929 1.558 1.00 . A A . 21 ASP OD2 1 1 7 4770 1 1 22 ASN C C 3.228 8.514 7.412 1.00 . A A . 22 ASN C 1 1 7 4771 1 1 22 ASN CA C 3.444 8.824 5.929 1.00 . A A . 22 ASN CA 1 1 7 4772 1 1 22 ASN CB C 2.213 8.339 5.161 1.00 . A A . 22 ASN CB 1 1 7 4773 1 1 22 ASN CG C 2.148 8.978 3.772 1.00 . A A . 22 ASN CG 1 1 7 4774 1 1 22 ASN H H 4.557 7.162 5.346 1.00 . A A . 22 ASN H 1 1 7 4775 1 1 22 ASN HA H 3.621 9.883 5.746 1.00 . A A . 22 ASN HA 1 1 7 4776 1 1 22 ASN HB2 H 2.244 7.254 5.065 1.00 . A A . 22 ASN HB2 1 1 7 4777 1 1 22 ASN HB3 H 1.311 8.585 5.721 1.00 . A A . 22 ASN HB3 1 1 7 4778 1 1 22 ASN HD21 H 3.577 7.681 3.160 1.00 . A A . 22 ASN HD21 1 1 7 4779 1 1 22 ASN HD22 H 3.013 8.786 1.952 1.00 . A A . 22 ASN HD22 1 1 7 4780 1 1 22 ASN N N 4.647 8.151 5.468 1.00 . A A . 22 ASN N 1 1 7 4781 1 1 22 ASN ND2 N 2.981 8.437 2.888 1.00 . A A . 22 ASN ND2 1 1 7 4782 1 1 22 ASN O O 2.092 8.455 7.878 1.00 . A A . 22 ASN O 1 1 7 4783 1 1 22 ASN OD1 O 1.390 9.900 3.520 1.00 . A A . 22 ASN OD1 1 1 7 4784 1 1 23 GLY C C 3.070 7.151 9.862 1.00 . A A . 23 GLY C 1 1 7 4785 1 1 23 GLY CA C 4.284 8.022 9.532 1.00 . A A . 23 GLY CA 1 1 7 4786 1 1 23 GLY H H 5.258 8.374 7.725 1.00 . A A . 23 GLY H 1 1 7 4787 1 1 23 GLY HA2 H 5.197 7.509 9.833 1.00 . A A . 23 GLY HA2 1 1 7 4788 1 1 23 GLY HA3 H 4.236 8.949 10.103 1.00 . A A . 23 GLY HA3 1 1 7 4789 1 1 23 GLY N N 4.337 8.324 8.112 1.00 . A A . 23 GLY N 1 1 7 4790 1 1 23 GLY O O 1.988 7.667 10.139 1.00 . A A . 23 GLY O 1 1 7 4791 1 1 24 VAL C C 2.752 3.830 11.074 1.00 . A A . 24 VAL C 1 1 7 4792 1 1 24 VAL CA C 2.228 4.897 10.112 1.00 . A A . 24 VAL CA 1 1 7 4793 1 1 24 VAL CB C 1.679 4.311 8.810 1.00 . A A . 24 VAL CB 1 1 7 4794 1 1 24 VAL CG1 C 0.650 3.215 9.093 1.00 . A A . 24 VAL CG1 1 1 7 4795 1 1 24 VAL CG2 C 1.083 5.406 7.923 1.00 . A A . 24 VAL CG2 1 1 7 4796 1 1 24 VAL H H 4.173 5.434 9.595 1.00 . A A . 24 VAL H 1 1 7 4797 1 1 24 VAL HA H 1.422 5.446 10.601 1.00 . A A . 24 VAL HA 1 1 7 4798 1 1 24 VAL HB H 2.510 3.858 8.269 1.00 . A A . 24 VAL HB 1 1 7 4799 1 1 24 VAL HG11 H 0.312 3.292 10.127 1.00 . A A . 24 VAL HG11 1 1 7 4800 1 1 24 VAL HG12 H -0.202 3.334 8.423 1.00 . A A . 24 VAL HG12 1 1 7 4801 1 1 24 VAL HG13 H 1.106 2.238 8.932 1.00 . A A . 24 VAL HG13 1 1 7 4802 1 1 24 VAL HG21 H 0.068 5.130 7.636 1.00 . A A . 24 VAL HG21 1 1 7 4803 1 1 24 VAL HG22 H 1.061 6.347 8.473 1.00 . A A . 24 VAL HG22 1 1 7 4804 1 1 24 VAL HG23 H 1.695 5.522 7.028 1.00 . A A . 24 VAL HG23 1 1 7 4805 1 1 24 VAL N N 3.290 5.845 9.821 1.00 . A A . 24 VAL N 1 1 7 4806 1 1 24 VAL O O 3.927 3.471 11.029 1.00 . A A . 24 VAL O 1 1 7 4807 1 1 25 LYS C C 1.924 0.950 12.306 1.00 . A A . 25 LYS C 1 1 7 4808 1 1 25 LYS CA C 2.211 2.332 12.895 1.00 . A A . 25 LYS CA 1 1 7 4809 1 1 25 LYS CB C 1.505 2.592 14.227 1.00 . A A . 25 LYS CB 1 1 7 4810 1 1 25 LYS CD C -0.539 1.970 15.567 1.00 . A A . 25 LYS CD 1 1 7 4811 1 1 25 LYS CE C -2.057 1.787 15.516 1.00 . A A . 25 LYS CE 1 1 7 4812 1 1 25 LYS CG C 0.038 2.163 14.163 1.00 . A A . 25 LYS CG 1 1 7 4813 1 1 25 LYS H H 0.899 3.649 11.954 1.00 . A A . 25 LYS H 1 1 7 4814 1 1 25 LYS HA H 3.282 2.415 13.076 1.00 . A A . 25 LYS HA 1 1 7 4815 1 1 25 LYS HB2 H 2.012 2.048 15.024 1.00 . A A . 25 LYS HB2 1 1 7 4816 1 1 25 LYS HB3 H 1.568 3.651 14.476 1.00 . A A . 25 LYS HB3 1 1 7 4817 1 1 25 LYS HD2 H -0.080 1.100 16.036 1.00 . A A . 25 LYS HD2 1 1 7 4818 1 1 25 LYS HD3 H -0.294 2.833 16.187 1.00 . A A . 25 LYS HD3 1 1 7 4819 1 1 25 LYS HE2 H -2.377 1.644 14.484 1.00 . A A . 25 LYS HE2 1 1 7 4820 1 1 25 LYS HE3 H -2.340 0.889 16.065 1.00 . A A . 25 LYS HE3 1 1 7 4821 1 1 25 LYS HG2 H -0.542 2.916 13.628 1.00 . A A . 25 LYS HG2 1 1 7 4822 1 1 25 LYS HG3 H -0.049 1.234 13.600 1.00 . A A . 25 LYS HG3 1 1 7 4823 1 1 25 LYS HZ1 H -3.607 2.712 16.558 1.00 . A A . 25 LYS HZ1 1 1 7 4824 1 1 25 LYS HZ3 H -2.976 3.653 15.389 1.00 . A A . 25 LYS HZ3 1 1 7 4825 1 1 25 LYS N N 1.854 3.352 11.923 1.00 . A A . 25 LYS N 1 1 7 4826 1 1 25 LYS NZ N -2.741 2.965 16.095 1.00 . A A . 25 LYS NZ 1 1 7 4827 1 1 25 LYS O O 1.150 0.823 11.359 1.00 . A A . 25 LYS O 1 1 7 4828 1 1 26 PRO C C 1.051 -2.004 12.900 1.00 . A A . 26 PRO C 1 1 7 4829 1 1 26 PRO CA C 2.404 -1.447 12.452 1.00 . A A . 26 PRO CA 1 1 7 4830 1 1 26 PRO CB C 3.583 -2.210 13.034 1.00 . A A . 26 PRO CB 1 1 7 4831 1 1 26 PRO CD C 3.505 0.034 14.031 1.00 . A A . 26 PRO CD 1 1 7 4832 1 1 26 PRO CG C 4.117 -1.350 14.168 1.00 . A A . 26 PRO CG 1 1 7 4833 1 1 26 PRO HA H 2.397 -1.482 11.453 1.00 . A A . 26 PRO HA 1 1 7 4834 1 1 26 PRO HB2 H 3.272 -3.189 13.399 1.00 . A A . 26 PRO HB2 1 1 7 4835 1 1 26 PRO HB3 H 4.350 -2.381 12.279 1.00 . A A . 26 PRO HB3 1 1 7 4836 1 1 26 PRO HD2 H 2.986 0.330 14.943 1.00 . A A . 26 PRO HD2 1 1 7 4837 1 1 26 PRO HD3 H 4.270 0.788 13.841 1.00 . A A . 26 PRO HD3 1 1 7 4838 1 1 26 PRO HG2 H 3.860 -1.788 15.133 1.00 . A A . 26 PRO HG2 1 1 7 4839 1 1 26 PRO HG3 H 5.205 -1.293 14.124 1.00 . A A . 26 PRO HG3 1 1 7 4840 1 1 26 PRO N N 2.581 -0.078 12.907 1.00 . A A . 26 PRO N 1 1 7 4841 1 1 26 PRO O O 0.549 -1.642 13.964 1.00 . A A . 26 PRO O 1 1 7 4842 1 1 27 GLY C C -1.932 -2.658 11.780 1.00 . A A . 27 GLY C 1 1 7 4843 1 1 27 GLY CA C -0.785 -3.484 12.364 1.00 . A A . 27 GLY CA 1 1 7 4844 1 1 27 GLY H H 0.915 -3.162 11.204 1.00 . A A . 27 GLY H 1 1 7 4845 1 1 27 GLY HA2 H -0.815 -4.494 11.957 1.00 . A A . 27 GLY HA2 1 1 7 4846 1 1 27 GLY HA3 H -0.909 -3.572 13.444 1.00 . A A . 27 GLY HA3 1 1 7 4847 1 1 27 GLY N N 0.500 -2.874 12.067 1.00 . A A . 27 GLY N 1 1 7 4848 1 1 27 GLY O O -3.102 -2.971 11.997 1.00 . A A . 27 GLY O 1 1 7 4849 1 1 28 THR C C -3.041 -1.349 9.118 1.00 . A A . 28 THR C 1 1 7 4850 1 1 28 THR CA C -2.541 -0.744 10.431 1.00 . A A . 28 THR CA 1 1 7 4851 1 1 28 THR CB C -1.906 0.637 10.261 1.00 . A A . 28 THR CB 1 1 7 4852 1 1 28 THR CG2 C -2.898 1.677 9.737 1.00 . A A . 28 THR CG2 1 1 7 4853 1 1 28 THR H H -0.605 -1.369 10.877 1.00 . A A . 28 THR H 1 1 7 4854 1 1 28 THR HA H -3.401 -0.670 11.097 1.00 . A A . 28 THR HA 1 1 7 4855 1 1 28 THR HB H -1.024 0.584 9.623 1.00 . A A . 28 THR HB 1 1 7 4856 1 1 28 THR HG1 H -0.719 1.467 11.643 1.00 . A A . 28 THR HG1 1 1 7 4857 1 1 28 THR HG21 H -2.525 2.678 9.957 1.00 . A A . 28 THR HG21 1 1 7 4858 1 1 28 THR HG22 H -3.011 1.561 8.659 1.00 . A A . 28 THR HG22 1 1 7 4859 1 1 28 THR HG23 H -3.864 1.535 10.221 1.00 . A A . 28 THR HG23 1 1 7 4860 1 1 28 THR N N -1.558 -1.618 11.049 1.00 . A A . 28 THR N 1 1 7 4861 1 1 28 THR O O -2.374 -2.196 8.526 1.00 . A A . 28 THR O 1 1 7 4862 1 1 28 THR OG1 O -1.631 1.060 11.594 1.00 . A A . 28 THR OG1 1 1 7 4863 1 1 29 SER C C -4.802 -0.270 6.412 1.00 . A A . 29 SER C 1 1 7 4864 1 1 29 SER CA C -4.810 -1.376 7.468 1.00 . A A . 29 SER CA 1 1 7 4865 1 1 29 SER CB C -6.238 -1.872 7.706 1.00 . A A . 29 SER CB 1 1 7 4866 1 1 29 SER H H -4.749 -0.202 9.188 1.00 . A A . 29 SER H 1 1 7 4867 1 1 29 SER HA H -4.184 -2.211 7.153 1.00 . A A . 29 SER HA 1 1 7 4868 1 1 29 SER HB2 H -6.484 -2.635 6.968 1.00 . A A . 29 SER HB2 1 1 7 4869 1 1 29 SER HB3 H -6.299 -2.344 8.687 1.00 . A A . 29 SER HB3 1 1 7 4870 1 1 29 SER HG H -8.065 -1.165 7.298 1.00 . A A . 29 SER HG 1 1 7 4871 1 1 29 SER N N -4.213 -0.891 8.701 1.00 . A A . 29 SER N 1 1 7 4872 1 1 29 SER O O -5.107 0.883 6.712 1.00 . A A . 29 SER O 1 1 7 4873 1 1 29 SER OG O -7.190 -0.814 7.630 1.00 . A A . 29 SER OG 1 1 7 4874 1 1 30 PHE C C -5.742 0.990 3.910 1.00 . A A . 30 PHE C 1 1 7 4875 1 1 30 PHE CA C -4.396 0.285 4.093 1.00 . A A . 30 PHE CA 1 1 7 4876 1 1 30 PHE CB C -4.080 -0.519 2.830 1.00 . A A . 30 PHE CB 1 1 7 4877 1 1 30 PHE CD1 C -4.828 1.002 0.986 1.00 . A A . 30 PHE CD1 1 1 7 4878 1 1 30 PHE CD2 C -2.541 0.450 1.108 1.00 . A A . 30 PHE CD2 1 1 7 4879 1 1 30 PHE CE1 C -4.574 1.802 -0.159 1.00 . A A . 30 PHE CE1 1 1 7 4880 1 1 30 PHE CE2 C -2.287 1.250 -0.037 1.00 . A A . 30 PHE CE2 1 1 7 4881 1 1 30 PHE CG C -3.806 0.343 1.596 1.00 . A A . 30 PHE CG 1 1 7 4882 1 1 30 PHE CZ C -3.309 1.909 -0.647 1.00 . A A . 30 PHE CZ 1 1 7 4883 1 1 30 PHE H H -4.201 -1.599 4.959 1.00 . A A . 30 PHE H 1 1 7 4884 1 1 30 PHE HA H -3.631 1.023 4.334 1.00 . A A . 30 PHE HA 1 1 7 4885 1 1 30 PHE HB2 H -3.211 -1.149 3.020 1.00 . A A . 30 PHE HB2 1 1 7 4886 1 1 30 PHE HB3 H -4.916 -1.185 2.617 1.00 . A A . 30 PHE HB3 1 1 7 4887 1 1 30 PHE HD1 H -5.842 0.917 1.377 1.00 . A A . 30 PHE HD1 1 1 7 4888 1 1 30 PHE HD2 H -1.722 -0.078 1.596 1.00 . A A . 30 PHE HD2 1 1 7 4889 1 1 30 PHE HE1 H -5.392 2.331 -0.647 1.00 . A A . 30 PHE HE1 1 1 7 4890 1 1 30 PHE HE2 H -1.273 1.336 -0.428 1.00 . A A . 30 PHE HE2 1 1 7 4891 1 1 30 PHE HZ H -3.114 2.523 -1.526 1.00 . A A . 30 PHE HZ 1 1 7 4892 1 1 30 PHE N N -4.448 -0.659 5.195 1.00 . A A . 30 PHE N 1 1 7 4893 1 1 30 PHE O O -5.797 2.108 3.400 1.00 . A A . 30 PHE O 1 1 7 4894 1 1 31 ASP C C -8.321 1.953 5.277 1.00 . A A . 31 ASP C 1 1 7 4895 1 1 31 ASP CA C -8.136 0.855 4.228 1.00 . A A . 31 ASP CA 1 1 7 4896 1 1 31 ASP CB C -9.192 -0.223 4.479 1.00 . A A . 31 ASP CB 1 1 7 4897 1 1 31 ASP CG C -10.524 -0.003 3.759 1.00 . A A . 31 ASP CG 1 1 7 4898 1 1 31 ASP H H -6.741 -0.601 4.751 1.00 . A A . 31 ASP H 1 1 7 4899 1 1 31 ASP HA H -8.207 1.235 3.209 1.00 . A A . 31 ASP HA 1 1 7 4900 1 1 31 ASP HB2 H -8.786 -1.187 4.174 1.00 . A A . 31 ASP HB2 1 1 7 4901 1 1 31 ASP HB3 H -9.381 -0.282 5.551 1.00 . A A . 31 ASP HB3 1 1 7 4902 1 1 31 ASP HD2 H -11.478 -0.392 5.335 1.00 . A A . 31 ASP HD2 1 1 7 4903 1 1 31 ASP N N -6.794 0.308 4.337 1.00 . A A . 31 ASP N 1 1 7 4904 1 1 31 ASP O O -9.365 2.602 5.323 1.00 . A A . 31 ASP O 1 1 7 4905 1 1 31 ASP OD1 O -10.577 0.625 2.691 1.00 . A A . 31 ASP OD1 1 1 7 4906 1 1 31 ASP OD2 O -11.552 -0.515 4.346 1.00 . A A . 31 ASP OD2 1 1 7 4907 1 1 32 ASP C C -6.281 4.208 6.844 1.00 . A A . 32 ASP C 1 1 7 4908 1 1 32 ASP CA C -7.330 3.134 7.140 1.00 . A A . 32 ASP CA 1 1 7 4909 1 1 32 ASP CB C -7.008 2.523 8.505 1.00 . A A . 32 ASP CB 1 1 7 4910 1 1 32 ASP CG C -8.161 2.543 9.511 1.00 . A A . 32 ASP CG 1 1 7 4911 1 1 32 ASP H H -6.448 1.593 6.050 1.00 . A A . 32 ASP H 1 1 7 4912 1 1 32 ASP HA H -8.346 3.527 7.123 1.00 . A A . 32 ASP HA 1 1 7 4913 1 1 32 ASP HB2 H -6.691 1.490 8.359 1.00 . A A . 32 ASP HB2 1 1 7 4914 1 1 32 ASP HB3 H -6.161 3.058 8.935 1.00 . A A . 32 ASP HB3 1 1 7 4915 1 1 32 ASP HD2 H -8.906 0.816 9.579 1.00 . A A . 32 ASP HD2 1 1 7 4916 1 1 32 ASP N N -7.293 2.126 6.094 1.00 . A A . 32 ASP N 1 1 7 4917 1 1 32 ASP O O -6.040 5.089 7.668 1.00 . A A . 32 ASP O 1 1 7 4918 1 1 32 ASP OD1 O -8.135 3.296 10.496 1.00 . A A . 32 ASP OD1 1 1 7 4919 1 1 32 ASP OD2 O -9.128 1.732 9.247 1.00 . A A . 32 ASP OD2 1 1 7 4920 1 1 33 LEU C C -5.331 6.398 4.946 1.00 . A A . 33 LEU C 1 1 7 4921 1 1 33 LEU CA C -4.670 5.052 5.249 1.00 . A A . 33 LEU CA 1 1 7 4922 1 1 33 LEU CB C -3.856 4.490 4.082 1.00 . A A . 33 LEU CB 1 1 7 4923 1 1 33 LEU CD1 C -2.048 2.961 3.215 1.00 . A A . 33 LEU CD1 1 1 7 4924 1 1 33 LEU CD2 C -1.645 4.365 5.289 1.00 . A A . 33 LEU CD2 1 1 7 4925 1 1 33 LEU CG C -2.674 3.595 4.459 1.00 . A A . 33 LEU CG 1 1 7 4926 1 1 33 LEU H H -5.889 3.381 5.000 1.00 . A A . 33 LEU H 1 1 7 4927 1 1 33 LEU HA H -3.985 5.184 6.086 1.00 . A A . 33 LEU HA 1 1 7 4928 1 1 33 LEU HB2 H -4.526 3.922 3.437 1.00 . A A . 33 LEU HB2 1 1 7 4929 1 1 33 LEU HB3 H -3.479 5.326 3.493 1.00 . A A . 33 LEU HB3 1 1 7 4930 1 1 33 LEU HD11 H -0.962 3.021 3.284 1.00 . A A . 33 LEU HD11 1 1 7 4931 1 1 33 LEU HD12 H -2.350 1.916 3.148 1.00 . A A . 33 LEU HD12 1 1 7 4932 1 1 33 LEU HD13 H -2.385 3.494 2.327 1.00 . A A . 33 LEU HD13 1 1 7 4933 1 1 33 LEU HD21 H -1.310 3.744 6.120 1.00 . A A . 33 LEU HD21 1 1 7 4934 1 1 33 LEU HD22 H -0.792 4.623 4.662 1.00 . A A . 33 LEU HD22 1 1 7 4935 1 1 33 LEU HD23 H -2.100 5.276 5.677 1.00 . A A . 33 LEU HD23 1 1 7 4936 1 1 33 LEU HG H -3.046 2.781 5.082 1.00 . A A . 33 LEU HG 1 1 7 4937 1 1 33 LEU N N -5.687 4.101 5.664 1.00 . A A . 33 LEU N 1 1 7 4938 1 1 33 LEU O O -6.512 6.451 4.606 1.00 . A A . 33 LEU O 1 1 7 4939 1 1 34 PRO C C -5.156 9.079 3.328 1.00 . A A . 34 PRO C 1 1 7 4940 1 1 34 PRO CA C -5.014 8.823 4.829 1.00 . A A . 34 PRO CA 1 1 7 4941 1 1 34 PRO CB C -4.006 9.746 5.496 1.00 . A A . 34 PRO CB 1 1 7 4942 1 1 34 PRO CD C -3.117 7.456 5.486 1.00 . A A . 34 PRO CD 1 1 7 4943 1 1 34 PRO CG C -2.749 8.916 5.696 1.00 . A A . 34 PRO CG 1 1 7 4944 1 1 34 PRO HA H -5.930 8.935 5.214 1.00 . A A . 34 PRO HA 1 1 7 4945 1 1 34 PRO HB2 H -3.804 10.618 4.873 1.00 . A A . 34 PRO HB2 1 1 7 4946 1 1 34 PRO HB3 H -4.386 10.116 6.448 1.00 . A A . 34 PRO HB3 1 1 7 4947 1 1 34 PRO HD2 H -2.493 6.997 4.718 1.00 . A A . 34 PRO HD2 1 1 7 4948 1 1 34 PRO HD3 H -2.976 6.877 6.399 1.00 . A A . 34 PRO HD3 1 1 7 4949 1 1 34 PRO HG2 H -1.974 9.220 4.993 1.00 . A A . 34 PRO HG2 1 1 7 4950 1 1 34 PRO HG3 H -2.347 9.068 6.698 1.00 . A A . 34 PRO HG3 1 1 7 4951 1 1 34 PRO N N -4.520 7.481 5.084 1.00 . A A . 34 PRO N 1 1 7 4952 1 1 34 PRO O O -4.495 8.430 2.518 1.00 . A A . 34 PRO O 1 1 7 4953 1 1 35 ALA C C -5.010 11.041 1.035 1.00 . A A . 35 ALA C 1 1 7 4954 1 1 35 ALA CA C -6.261 10.375 1.610 1.00 . A A . 35 ALA CA 1 1 7 4955 1 1 35 ALA CB C -7.497 11.273 1.513 1.00 . A A . 35 ALA CB 1 1 7 4956 1 1 35 ALA H H -6.557 10.549 3.665 1.00 . A A . 35 ALA H 1 1 7 4957 1 1 35 ALA HA H -6.455 9.452 1.065 1.00 . A A . 35 ALA HA 1 1 7 4958 1 1 35 ALA HB1 H -7.229 12.291 1.796 1.00 . A A . 35 ALA HB1 1 1 7 4959 1 1 35 ALA HB2 H -7.871 11.267 0.490 1.00 . A A . 35 ALA HB2 1 1 7 4960 1 1 35 ALA HB3 H -8.270 10.900 2.185 1.00 . A A . 35 ALA HB3 1 1 7 4961 1 1 35 ALA N N -6.024 10.026 3.001 1.00 . A A . 35 ALA N 1 1 7 4962 1 1 35 ALA O O -4.794 11.024 -0.176 1.00 . A A . 35 ALA O 1 1 7 4963 1 1 36 ASP C C -1.877 11.249 1.375 1.00 . A A . 36 ASP C 1 1 7 4964 1 1 36 ASP CA C -2.994 12.283 1.527 1.00 . A A . 36 ASP CA 1 1 7 4965 1 1 36 ASP CB C -2.553 13.304 2.578 1.00 . A A . 36 ASP CB 1 1 7 4966 1 1 36 ASP CG C -2.059 14.639 2.016 1.00 . A A . 36 ASP CG 1 1 7 4967 1 1 36 ASP H H -4.401 11.622 2.914 1.00 . A A . 36 ASP H 1 1 7 4968 1 1 36 ASP HA H -3.235 12.778 0.586 1.00 . A A . 36 ASP HA 1 1 7 4969 1 1 36 ASP HB2 H -3.390 13.497 3.249 1.00 . A A . 36 ASP HB2 1 1 7 4970 1 1 36 ASP HB3 H -1.758 12.864 3.180 1.00 . A A . 36 ASP HB3 1 1 7 4971 1 1 36 ASP HD2 H -2.558 16.446 1.840 1.00 . A A . 36 ASP HD2 1 1 7 4972 1 1 36 ASP N N -4.218 11.613 1.931 1.00 . A A . 36 ASP N 1 1 7 4973 1 1 36 ASP O O -0.723 11.605 1.140 1.00 . A A . 36 ASP O 1 1 7 4974 1 1 36 ASP OD1 O -0.862 14.812 1.742 1.00 . A A . 36 ASP OD1 1 1 7 4975 1 1 36 ASP OD2 O -2.972 15.536 1.858 1.00 . A A . 36 ASP OD2 1 1 7 4976 1 1 37 TRP C C -1.288 8.441 -0.063 1.00 . A A . 37 TRP C 1 1 7 4977 1 1 37 TRP CA C -1.304 8.899 1.397 1.00 . A A . 37 TRP CA 1 1 7 4978 1 1 37 TRP CB C -1.635 7.770 2.375 1.00 . A A . 37 TRP CB 1 1 7 4979 1 1 37 TRP CD1 C 0.327 6.424 3.373 1.00 . A A . 37 TRP CD1 1 1 7 4980 1 1 37 TRP CD2 C -0.377 5.631 1.427 1.00 . A A . 37 TRP CD2 1 1 7 4981 1 1 37 TRP CE2 C 0.664 4.829 1.847 1.00 . A A . 37 TRP CE2 1 1 7 4982 1 1 37 TRP CE3 C -1.046 5.389 0.215 1.00 . A A . 37 TRP CE3 1 1 7 4983 1 1 37 TRP CG C -0.586 6.658 2.420 1.00 . A A . 37 TRP CG 1 1 7 4984 1 1 37 TRP CH2 C 0.478 3.470 -0.098 1.00 . A A . 37 TRP CH2 1 1 7 4985 1 1 37 TRP CZ2 C 1.129 3.731 1.114 1.00 . A A . 37 TRP CZ2 1 1 7 4986 1 1 37 TRP CZ3 C -0.569 4.288 -0.506 1.00 . A A . 37 TRP CZ3 1 1 7 4987 1 1 37 TRP H H -3.199 9.706 1.707 1.00 . A A . 37 TRP H 1 1 7 4988 1 1 37 TRP HA H -0.323 9.284 1.677 1.00 . A A . 37 TRP HA 1 1 7 4989 1 1 37 TRP HB2 H -1.748 8.190 3.374 1.00 . A A . 37 TRP HB2 1 1 7 4990 1 1 37 TRP HB3 H -2.597 7.337 2.101 1.00 . A A . 37 TRP HB3 1 1 7 4991 1 1 37 TRP HD1 H 0.441 7.025 4.275 1.00 . A A . 37 TRP HD1 1 1 7 4992 1 1 37 TRP HE1 H 1.919 4.923 3.673 1.00 . A A . 37 TRP HE1 1 1 7 4993 1 1 37 TRP HE3 H -1.871 6.008 -0.139 1.00 . A A . 37 TRP HE3 1 1 7 4994 1 1 37 TRP HH2 H 0.791 2.630 -0.718 1.00 . A A . 37 TRP HH2 1 1 7 4995 1 1 37 TRP HZ2 H 1.954 3.112 1.467 1.00 . A A . 37 TRP HZ2 1 1 7 4996 1 1 37 TRP HZ3 H -1.053 4.055 -1.455 1.00 . A A . 37 TRP HZ3 1 1 7 4997 1 1 37 TRP N N -2.259 9.988 1.516 1.00 . A A . 37 TRP N 1 1 7 4998 1 1 37 TRP NE1 N 1.106 5.326 3.068 1.00 . A A . 37 TRP NE1 1 1 7 4999 1 1 37 TRP O O -2.316 8.472 -0.737 1.00 . A A . 37 TRP O 1 1 7 5000 1 1 38 VAL C C 1.321 6.713 -1.972 1.00 . A A . 38 VAL C 1 1 7 5001 1 1 38 VAL CA C 0.052 7.562 -1.874 1.00 . A A . 38 VAL CA 1 1 7 5002 1 1 38 VAL CB C 0.053 8.753 -2.834 1.00 . A A . 38 VAL CB 1 1 7 5003 1 1 38 VAL CG1 C -1.362 9.303 -3.027 1.00 . A A . 38 VAL CG1 1 1 7 5004 1 1 38 VAL CG2 C 1.005 9.847 -2.349 1.00 . A A . 38 VAL CG2 1 1 7 5005 1 1 38 VAL H H 0.720 8.004 0.049 1.00 . A A . 38 VAL H 1 1 7 5006 1 1 38 VAL HA H -0.808 6.936 -2.113 1.00 . A A . 38 VAL HA 1 1 7 5007 1 1 38 VAL HB H 0.411 8.402 -3.802 1.00 . A A . 38 VAL HB 1 1 7 5008 1 1 38 VAL HG11 H -2.086 8.500 -2.888 1.00 . A A . 38 VAL HG11 1 1 7 5009 1 1 38 VAL HG12 H -1.548 10.091 -2.297 1.00 . A A . 38 VAL HG12 1 1 7 5010 1 1 38 VAL HG13 H -1.460 9.709 -4.034 1.00 . A A . 38 VAL HG13 1 1 7 5011 1 1 38 VAL HG21 H 1.998 9.677 -2.767 1.00 . A A . 38 VAL HG21 1 1 7 5012 1 1 38 VAL HG22 H 0.637 10.820 -2.675 1.00 . A A . 38 VAL HG22 1 1 7 5013 1 1 38 VAL HG23 H 1.060 9.825 -1.261 1.00 . A A . 38 VAL HG23 1 1 7 5014 1 1 38 VAL N N -0.111 8.026 -0.507 1.00 . A A . 38 VAL N 1 1 7 5015 1 1 38 VAL O O 2.259 6.901 -1.199 1.00 . A A . 38 VAL O 1 1 7 5016 1 1 39 CYS C C 3.728 5.743 -2.967 1.00 . A A . 39 CYS C 1 1 7 5017 1 1 39 CYS CA C 2.449 4.920 -3.139 1.00 . A A . 39 CYS CA 1 1 7 5018 1 1 39 CYS CB C 2.391 4.234 -4.506 1.00 . A A . 39 CYS CB 1 1 7 5019 1 1 39 CYS H H 0.543 5.651 -3.554 1.00 . A A . 39 CYS H 1 1 7 5020 1 1 39 CYS HA H 2.386 4.139 -2.381 1.00 . A A . 39 CYS HA 1 1 7 5021 1 1 39 CYS HB2 H 1.609 3.475 -4.483 1.00 . A A . 39 CYS HB2 1 1 7 5022 1 1 39 CYS HB3 H 2.099 4.971 -5.254 1.00 . A A . 39 CYS HB3 1 1 7 5023 1 1 39 CYS N N 1.310 5.798 -2.930 1.00 . A A . 39 CYS N 1 1 7 5024 1 1 39 CYS O O 4.111 6.495 -3.862 1.00 . A A . 39 CYS O 1 1 7 5025 1 1 39 CYS SG S 3.956 3.448 -5.037 1.00 . A A . 39 CYS SG 1 1 7 5026 1 1 40 PRO C C 6.780 5.691 -2.248 1.00 . A A . 40 PRO C 1 1 7 5027 1 1 40 PRO CA C 5.596 6.284 -1.481 1.00 . A A . 40 PRO CA 1 1 7 5028 1 1 40 PRO CB C 5.754 6.180 0.027 1.00 . A A . 40 PRO CB 1 1 7 5029 1 1 40 PRO CD C 3.945 4.684 -0.699 1.00 . A A . 40 PRO CD 1 1 7 5030 1 1 40 PRO CG C 4.869 5.022 0.460 1.00 . A A . 40 PRO CG 1 1 7 5031 1 1 40 PRO HA H 5.525 7.235 -1.781 1.00 . A A . 40 PRO HA 1 1 7 5032 1 1 40 PRO HB2 H 6.794 5.999 0.300 1.00 . A A . 40 PRO HB2 1 1 7 5033 1 1 40 PRO HB3 H 5.453 7.106 0.517 1.00 . A A . 40 PRO HB3 1 1 7 5034 1 1 40 PRO HD2 H 4.034 3.636 -0.984 1.00 . A A . 40 PRO HD2 1 1 7 5035 1 1 40 PRO HD3 H 2.901 4.854 -0.435 1.00 . A A . 40 PRO HD3 1 1 7 5036 1 1 40 PRO HG2 H 5.476 4.157 0.729 1.00 . A A . 40 PRO HG2 1 1 7 5037 1 1 40 PRO HG3 H 4.291 5.293 1.343 1.00 . A A . 40 PRO HG3 1 1 7 5038 1 1 40 PRO N N 4.369 5.567 -1.781 1.00 . A A . 40 PRO N 1 1 7 5039 1 1 40 PRO O O 7.819 5.394 -1.661 1.00 . A A . 40 PRO O 1 1 7 5040 1 1 41 VAL C C 7.575 5.677 -5.767 1.00 . A A . 41 VAL C 1 1 7 5041 1 1 41 VAL CA C 7.621 4.985 -4.403 1.00 . A A . 41 VAL CA 1 1 7 5042 1 1 41 VAL CB C 7.467 3.466 -4.498 1.00 . A A . 41 VAL CB 1 1 7 5043 1 1 41 VAL CG1 C 8.464 2.875 -5.498 1.00 . A A . 41 VAL CG1 1 1 7 5044 1 1 41 VAL CG2 C 7.617 2.812 -3.123 1.00 . A A . 41 VAL CG2 1 1 7 5045 1 1 41 VAL H H 5.735 5.782 -4.019 1.00 . A A . 41 VAL H 1 1 7 5046 1 1 41 VAL HA H 8.581 5.198 -3.933 1.00 . A A . 41 VAL HA 1 1 7 5047 1 1 41 VAL HB H 6.462 3.253 -4.862 1.00 . A A . 41 VAL HB 1 1 7 5048 1 1 41 VAL HG11 H 8.153 3.127 -6.512 1.00 . A A . 41 VAL HG11 1 1 7 5049 1 1 41 VAL HG12 H 9.455 3.287 -5.308 1.00 . A A . 41 VAL HG12 1 1 7 5050 1 1 41 VAL HG13 H 8.493 1.792 -5.385 1.00 . A A . 41 VAL HG13 1 1 7 5051 1 1 41 VAL HG21 H 6.665 2.853 -2.595 1.00 . A A . 41 VAL HG21 1 1 7 5052 1 1 41 VAL HG22 H 7.920 1.772 -3.246 1.00 . A A . 41 VAL HG22 1 1 7 5053 1 1 41 VAL HG23 H 8.375 3.346 -2.548 1.00 . A A . 41 VAL HG23 1 1 7 5054 1 1 41 VAL N N 6.583 5.537 -3.549 1.00 . A A . 41 VAL N 1 1 7 5055 1 1 41 VAL O O 8.584 6.203 -6.234 1.00 . A A . 41 VAL O 1 1 7 5056 1 1 42 CYS C C 5.260 7.466 -7.499 1.00 . A A . 42 CYS C 1 1 7 5057 1 1 42 CYS CA C 6.204 6.274 -7.667 1.00 . A A . 42 CYS CA 1 1 7 5058 1 1 42 CYS CB C 5.680 5.273 -8.699 1.00 . A A . 42 CYS CB 1 1 7 5059 1 1 42 CYS H H 5.578 5.225 -5.979 1.00 . A A . 42 CYS H 1 1 7 5060 1 1 42 CYS HA H 7.186 6.603 -8.004 1.00 . A A . 42 CYS HA 1 1 7 5061 1 1 42 CYS HB2 H 5.999 5.593 -9.690 1.00 . A A . 42 CYS HB2 1 1 7 5062 1 1 42 CYS HB3 H 6.143 4.304 -8.512 1.00 . A A . 42 CYS HB3 1 1 7 5063 1 1 42 CYS N N 6.394 5.655 -6.367 1.00 . A A . 42 CYS N 1 1 7 5064 1 1 42 CYS O O 5.178 8.327 -8.374 1.00 . A A . 42 CYS O 1 1 7 5065 1 1 42 CYS SG S 3.862 5.060 -8.708 1.00 . A A . 42 CYS SG 1 1 7 5066 1 1 43 GLY C C 2.196 8.117 -6.356 1.00 . A A . 43 GLY C 1 1 7 5067 1 1 43 GLY CA C 3.635 8.551 -6.073 1.00 . A A . 43 GLY CA 1 1 7 5068 1 1 43 GLY H H 4.642 6.775 -5.661 1.00 . A A . 43 GLY H 1 1 7 5069 1 1 43 GLY HA2 H 3.731 8.845 -5.027 1.00 . A A . 43 GLY HA2 1 1 7 5070 1 1 43 GLY HA3 H 3.880 9.427 -6.673 1.00 . A A . 43 GLY HA3 1 1 7 5071 1 1 43 GLY N N 4.570 7.479 -6.367 1.00 . A A . 43 GLY N 1 1 7 5072 1 1 43 GLY O O 1.252 8.839 -6.039 1.00 . A A . 43 GLY O 1 1 7 5073 1 1 44 ALA C C -0.194 6.651 -6.116 1.00 . A A . 44 ALA C 1 1 7 5074 1 1 44 ALA CA C 0.765 6.401 -7.282 1.00 . A A . 44 ALA CA 1 1 7 5075 1 1 44 ALA CB C 0.895 4.914 -7.620 1.00 . A A . 44 ALA CB 1 1 7 5076 1 1 44 ALA H H 2.846 6.359 -7.207 1.00 . A A . 44 ALA H 1 1 7 5077 1 1 44 ALA HA H 0.400 6.930 -8.162 1.00 . A A . 44 ALA HA 1 1 7 5078 1 1 44 ALA HB1 H 0.047 4.371 -7.204 1.00 . A A . 44 ALA HB1 1 1 7 5079 1 1 44 ALA HB2 H 0.911 4.788 -8.703 1.00 . A A . 44 ALA HB2 1 1 7 5080 1 1 44 ALA HB3 H 1.820 4.525 -7.195 1.00 . A A . 44 ALA HB3 1 1 7 5081 1 1 44 ALA N N 2.073 6.939 -6.952 1.00 . A A . 44 ALA N 1 1 7 5082 1 1 44 ALA O O 0.197 6.557 -4.954 1.00 . A A . 44 ALA O 1 1 7 5083 1 1 45 PRO C C -2.962 5.941 -4.823 1.00 . A A . 45 PRO C 1 1 7 5084 1 1 45 PRO CA C -2.483 7.239 -5.475 1.00 . A A . 45 PRO CA 1 1 7 5085 1 1 45 PRO CB C -3.587 7.972 -6.220 1.00 . A A . 45 PRO CB 1 1 7 5086 1 1 45 PRO CD C -1.965 7.096 -7.844 1.00 . A A . 45 PRO CD 1 1 7 5087 1 1 45 PRO CG C -3.360 7.681 -7.694 1.00 . A A . 45 PRO CG 1 1 7 5088 1 1 45 PRO HA H -2.105 7.794 -4.734 1.00 . A A . 45 PRO HA 1 1 7 5089 1 1 45 PRO HB2 H -4.570 7.625 -5.900 1.00 . A A . 45 PRO HB2 1 1 7 5090 1 1 45 PRO HB3 H -3.548 9.043 -6.022 1.00 . A A . 45 PRO HB3 1 1 7 5091 1 1 45 PRO HD2 H -1.993 6.127 -8.342 1.00 . A A . 45 PRO HD2 1 1 7 5092 1 1 45 PRO HD3 H -1.326 7.744 -8.443 1.00 . A A . 45 PRO HD3 1 1 7 5093 1 1 45 PRO HG2 H -4.109 6.982 -8.066 1.00 . A A . 45 PRO HG2 1 1 7 5094 1 1 45 PRO HG3 H -3.456 8.594 -8.282 1.00 . A A . 45 PRO HG3 1 1 7 5095 1 1 45 PRO N N -1.465 6.974 -6.477 1.00 . A A . 45 PRO N 1 1 7 5096 1 1 45 PRO O O -2.889 4.874 -5.430 1.00 . A A . 45 PRO O 1 1 7 5097 1 1 46 LYS C C -4.992 4.202 -3.685 1.00 . A A . 46 LYS C 1 1 7 5098 1 1 46 LYS CA C -3.930 4.925 -2.853 1.00 . A A . 46 LYS CA 1 1 7 5099 1 1 46 LYS CB C -4.419 5.350 -1.467 1.00 . A A . 46 LYS CB 1 1 7 5100 1 1 46 LYS CD C -6.075 6.812 -0.250 1.00 . A A . 46 LYS CD 1 1 7 5101 1 1 46 LYS CE C -6.610 5.836 0.800 1.00 . A A . 46 LYS CE 1 1 7 5102 1 1 46 LYS CG C -5.757 6.087 -1.560 1.00 . A A . 46 LYS CG 1 1 7 5103 1 1 46 LYS H H -3.496 6.946 -3.107 1.00 . A A . 46 LYS H 1 1 7 5104 1 1 46 LYS HA H -3.088 4.249 -2.704 1.00 . A A . 46 LYS HA 1 1 7 5105 1 1 46 LYS HB2 H -4.527 4.472 -0.830 1.00 . A A . 46 LYS HB2 1 1 7 5106 1 1 46 LYS HB3 H -3.676 5.994 -0.997 1.00 . A A . 46 LYS HB3 1 1 7 5107 1 1 46 LYS HD2 H -5.177 7.301 0.126 1.00 . A A . 46 LYS HD2 1 1 7 5108 1 1 46 LYS HD3 H -6.811 7.594 -0.434 1.00 . A A . 46 LYS HD3 1 1 7 5109 1 1 46 LYS HE2 H -7.172 6.382 1.559 1.00 . A A . 46 LYS HE2 1 1 7 5110 1 1 46 LYS HE3 H -7.302 5.135 0.334 1.00 . A A . 46 LYS HE3 1 1 7 5111 1 1 46 LYS HG2 H -5.724 6.806 -2.379 1.00 . A A . 46 LYS HG2 1 1 7 5112 1 1 46 LYS HG3 H -6.552 5.378 -1.790 1.00 . A A . 46 LYS HG3 1 1 7 5113 1 1 46 LYS HZ1 H -5.821 4.271 1.926 1.00 . A A . 46 LYS HZ1 1 1 7 5114 1 1 46 LYS HZ3 H -5.000 5.665 2.111 1.00 . A A . 46 LYS HZ3 1 1 7 5115 1 1 46 LYS N N -3.440 6.074 -3.594 1.00 . A A . 46 LYS N 1 1 7 5116 1 1 46 LYS NZ N -5.497 5.096 1.435 1.00 . A A . 46 LYS NZ 1 1 7 5117 1 1 46 LYS O O -5.237 3.013 -3.487 1.00 . A A . 46 LYS O 1 1 7 5118 1 1 47 SER C C -5.981 3.552 -6.565 1.00 . A A . 47 SER C 1 1 7 5119 1 1 47 SER CA C -6.622 4.396 -5.461 1.00 . A A . 47 SER CA 1 1 7 5120 1 1 47 SER CB C -7.484 5.502 -6.071 1.00 . A A . 47 SER CB 1 1 7 5121 1 1 47 SER H H -5.387 5.917 -4.753 1.00 . A A . 47 SER H 1 1 7 5122 1 1 47 SER HA H -7.238 3.773 -4.812 1.00 . A A . 47 SER HA 1 1 7 5123 1 1 47 SER HB2 H -7.029 6.471 -5.866 1.00 . A A . 47 SER HB2 1 1 7 5124 1 1 47 SER HB3 H -7.510 5.386 -7.154 1.00 . A A . 47 SER HB3 1 1 7 5125 1 1 47 SER HG H -9.164 6.420 -5.485 1.00 . A A . 47 SER HG 1 1 7 5126 1 1 47 SER N N -5.593 4.950 -4.598 1.00 . A A . 47 SER N 1 1 7 5127 1 1 47 SER O O -6.682 2.914 -7.349 1.00 . A A . 47 SER O 1 1 7 5128 1 1 47 SER OG O -8.815 5.486 -5.560 1.00 . A A . 47 SER OG 1 1 7 5129 1 1 48 GLU C C -3.295 1.575 -6.953 1.00 . A A . 48 GLU C 1 1 7 5130 1 1 48 GLU CA C -3.914 2.823 -7.586 1.00 . A A . 48 GLU CA 1 1 7 5131 1 1 48 GLU CB C -2.841 3.692 -8.245 1.00 . A A . 48 GLU CB 1 1 7 5132 1 1 48 GLU CD C -2.414 4.546 -10.579 1.00 . A A . 48 GLU CD 1 1 7 5133 1 1 48 GLU CG C -3.418 4.473 -9.427 1.00 . A A . 48 GLU CG 1 1 7 5134 1 1 48 GLU H H -4.095 4.099 -5.950 1.00 . A A . 48 GLU H 1 1 7 5135 1 1 48 GLU HA H -4.648 2.531 -8.337 1.00 . A A . 48 GLU HA 1 1 7 5136 1 1 48 GLU HB2 H -2.430 4.386 -7.512 1.00 . A A . 48 GLU HB2 1 1 7 5137 1 1 48 GLU HB3 H -2.018 3.064 -8.586 1.00 . A A . 48 GLU HB3 1 1 7 5138 1 1 48 GLU HE2 H -0.948 5.627 -11.057 1.00 . A A . 48 GLU HE2 1 1 7 5139 1 1 48 GLU HG2 H -4.336 3.996 -9.770 1.00 . A A . 48 GLU HG2 1 1 7 5140 1 1 48 GLU HG3 H -3.684 5.481 -9.107 1.00 . A A . 48 GLU HG3 1 1 7 5141 1 1 48 GLU N N -4.657 3.577 -6.591 1.00 . A A . 48 GLU N 1 1 7 5142 1 1 48 GLU O O -2.251 1.101 -7.397 1.00 . A A . 48 GLU O 1 1 7 5143 1 1 48 GLU OE1 O -2.718 4.101 -11.695 1.00 . A A . 48 GLU OE1 1 1 7 5144 1 1 48 GLU OE2 O -1.283 5.091 -10.282 1.00 . A A . 48 GLU OE2 1 1 7 5145 1 1 49 PHE C C -4.533 -1.231 -5.292 1.00 . A A . 49 PHE C 1 1 7 5146 1 1 49 PHE CA C -3.496 -0.107 -5.226 1.00 . A A . 49 PHE CA 1 1 7 5147 1 1 49 PHE CB C -3.285 0.291 -3.764 1.00 . A A . 49 PHE CB 1 1 7 5148 1 1 49 PHE CD1 C -1.008 -0.590 -3.208 1.00 . A A . 49 PHE CD1 1 1 7 5149 1 1 49 PHE CD2 C -1.323 1.745 -3.208 1.00 . A A . 49 PHE CD2 1 1 7 5150 1 1 49 PHE CE1 C 0.354 -0.406 -2.850 1.00 . A A . 49 PHE CE1 1 1 7 5151 1 1 49 PHE CE2 C 0.039 1.929 -2.850 1.00 . A A . 49 PHE CE2 1 1 7 5152 1 1 49 PHE CG C -1.817 0.489 -3.379 1.00 . A A . 49 PHE CG 1 1 7 5153 1 1 49 PHE CZ C 0.849 0.850 -2.679 1.00 . A A . 49 PHE CZ 1 1 7 5154 1 1 49 PHE H H -4.816 1.468 -5.569 1.00 . A A . 49 PHE H 1 1 7 5155 1 1 49 PHE HA H -2.580 -0.431 -5.719 1.00 . A A . 49 PHE HA 1 1 7 5156 1 1 49 PHE HB2 H -3.830 1.214 -3.567 1.00 . A A . 49 PHE HB2 1 1 7 5157 1 1 49 PHE HB3 H -3.717 -0.477 -3.123 1.00 . A A . 49 PHE HB3 1 1 7 5158 1 1 49 PHE HD1 H -1.404 -1.596 -3.345 1.00 . A A . 49 PHE HD1 1 1 7 5159 1 1 49 PHE HD2 H -1.972 2.609 -3.345 1.00 . A A . 49 PHE HD2 1 1 7 5160 1 1 49 PHE HE1 H 1.003 -1.271 -2.713 1.00 . A A . 49 PHE HE1 1 1 7 5161 1 1 49 PHE HE2 H 0.435 2.935 -2.713 1.00 . A A . 49 PHE HE2 1 1 7 5162 1 1 49 PHE HZ H 1.894 0.991 -2.405 1.00 . A A . 49 PHE HZ 1 1 7 5163 1 1 49 PHE N N -3.967 1.077 -5.925 1.00 . A A . 49 PHE N 1 1 7 5164 1 1 49 PHE O O -5.719 -1.000 -5.064 1.00 . A A . 49 PHE O 1 1 7 5165 1 1 50 GLU C C -4.242 -4.806 -5.079 1.00 . A A . 50 GLU C 1 1 7 5166 1 1 50 GLU CA C -4.916 -3.583 -5.702 1.00 . A A . 50 GLU CA 1 1 7 5167 1 1 50 GLU CB C -5.306 -3.854 -7.157 1.00 . A A . 50 GLU CB 1 1 7 5168 1 1 50 GLU CD C -6.816 -5.354 -8.509 1.00 . A A . 50 GLU CD 1 1 7 5169 1 1 50 GLU CG C -5.854 -5.273 -7.322 1.00 . A A . 50 GLU CG 1 1 7 5170 1 1 50 GLU H H -3.080 -2.602 -5.788 1.00 . A A . 50 GLU H 1 1 7 5171 1 1 50 GLU HA H -5.810 -3.324 -5.135 1.00 . A A . 50 GLU HA 1 1 7 5172 1 1 50 GLU HB2 H -6.057 -3.131 -7.477 1.00 . A A . 50 GLU HB2 1 1 7 5173 1 1 50 GLU HB3 H -4.438 -3.718 -7.801 1.00 . A A . 50 GLU HB3 1 1 7 5174 1 1 50 GLU HE2 H -8.253 -6.199 -7.633 1.00 . A A . 50 GLU HE2 1 1 7 5175 1 1 50 GLU HG2 H -5.029 -5.970 -7.470 1.00 . A A . 50 GLU HG2 1 1 7 5176 1 1 50 GLU HG3 H -6.369 -5.576 -6.411 1.00 . A A . 50 GLU HG3 1 1 7 5177 1 1 50 GLU N N -4.047 -2.423 -5.604 1.00 . A A . 50 GLU N 1 1 7 5178 1 1 50 GLU O O -3.019 -4.937 -5.126 1.00 . A A . 50 GLU O 1 1 7 5179 1 1 50 GLU OE1 O -6.372 -5.378 -9.667 1.00 . A A . 50 GLU OE1 1 1 7 5180 1 1 50 GLU OE2 O -8.067 -5.394 -8.196 1.00 . A A . 50 GLU OE2 1 1 7 5181 1 1 51 ALA C C -4.286 -7.933 -4.949 1.00 . A A . 51 ALA C 1 1 7 5182 1 1 51 ALA CA C -4.566 -6.880 -3.876 1.00 . A A . 51 ALA CA 1 1 7 5183 1 1 51 ALA CB C -5.573 -7.365 -2.832 1.00 . A A . 51 ALA CB 1 1 7 5184 1 1 51 ALA H H -6.060 -5.557 -4.475 1.00 . A A . 51 ALA H 1 1 7 5185 1 1 51 ALA HA H -3.633 -6.628 -3.373 1.00 . A A . 51 ALA HA 1 1 7 5186 1 1 51 ALA HB1 H -6.571 -7.384 -3.270 1.00 . A A . 51 ALA HB1 1 1 7 5187 1 1 51 ALA HB2 H -5.302 -8.368 -2.504 1.00 . A A . 51 ALA HB2 1 1 7 5188 1 1 51 ALA HB3 H -5.565 -6.689 -1.977 1.00 . A A . 51 ALA HB3 1 1 7 5189 1 1 51 ALA N N -5.068 -5.671 -4.508 1.00 . A A . 51 ALA N 1 1 7 5190 1 1 51 ALA O O -5.209 -8.427 -5.596 1.00 . A A . 51 ALA O 1 1 7 5191 1 1 52 ALA C C -1.968 -10.430 -5.373 1.00 . A A . 52 ALA C 1 1 7 5192 1 1 52 ALA CA C -2.595 -9.233 -6.090 1.00 . A A . 52 ALA CA 1 1 7 5193 1 1 52 ALA CB C -1.636 -8.585 -7.091 1.00 . A A . 52 ALA CB 1 1 7 5194 1 1 52 ALA H H -2.264 -7.840 -4.576 1.00 . A A . 52 ALA H 1 1 7 5195 1 1 52 ALA HA H -3.486 -9.564 -6.622 1.00 . A A . 52 ALA HA 1 1 7 5196 1 1 52 ALA HB1 H -1.951 -8.828 -8.106 1.00 . A A . 52 ALA HB1 1 1 7 5197 1 1 52 ALA HB2 H -1.647 -7.503 -6.957 1.00 . A A . 52 ALA HB2 1 1 7 5198 1 1 52 ALA HB3 H -0.627 -8.961 -6.923 1.00 . A A . 52 ALA HB3 1 1 7 5199 1 1 52 ALA N N -3.008 -8.247 -5.106 1.00 . A A . 52 ALA N 1 1 7 5200 1 1 52 ALA O O -2.395 -10.798 -4.280 1.00 . A A . 52 ALA O 1 1 7 5201 2 2 1 NI NI NI 3.578 3.080 -7.378 1.00 . B A . 53 NI NI 1 1 8 5202 1 1 1 MET C C -6.021 -8.240 1.243 1.00 . A A . 1 MET C 1 1 8 5203 1 1 1 MET CA C -7.410 -7.632 1.032 1.00 . A A . 1 MET CA 1 1 8 5204 1 1 1 MET CB C -8.157 -8.426 -0.042 1.00 . A A . 1 MET CB 1 1 8 5205 1 1 1 MET CE C -8.970 -9.882 -3.046 1.00 . A A . 1 MET CE 1 1 8 5206 1 1 1 MET CG C -7.387 -8.419 -1.364 1.00 . A A . 1 MET CG 1 1 8 5207 1 1 1 MET H1 H -8.072 -5.660 0.922 1.00 . A A . 1 MET H1 1 1 8 5208 1 1 1 MET HA H -7.958 -7.625 1.974 1.00 . A A . 1 MET HA 1 1 8 5209 1 1 1 MET HB2 H -8.300 -9.453 0.294 1.00 . A A . 1 MET HB2 1 1 8 5210 1 1 1 MET HB3 H -9.148 -7.998 -0.192 1.00 . A A . 1 MET HB3 1 1 8 5211 1 1 1 MET HE1 H -8.849 -10.468 -2.135 1.00 . A A . 1 MET HE1 1 1 8 5212 1 1 1 MET HE2 H -10.010 -9.924 -3.370 1.00 . A A . 1 MET HE2 1 1 8 5213 1 1 1 MET HE3 H -8.330 -10.289 -3.828 1.00 . A A . 1 MET HE3 1 1 8 5214 1 1 1 MET HG2 H -6.643 -7.622 -1.357 1.00 . A A . 1 MET HG2 1 1 8 5215 1 1 1 MET HG3 H -6.847 -9.358 -1.485 1.00 . A A . 1 MET HG3 1 1 8 5216 1 1 1 MET N N -7.313 -6.240 0.627 1.00 . A A . 1 MET N 1 1 8 5217 1 1 1 MET O O -5.443 -8.810 0.320 1.00 . A A . 1 MET O 1 1 8 5218 1 1 1 MET SD S -8.515 -8.186 -2.727 1.00 . A A . 1 MET SD 1 1 8 5219 1 1 2 LYS C C -3.144 -7.850 2.042 1.00 . A A . 2 LYS C 1 1 8 5220 1 1 2 LYS CA C -4.218 -8.624 2.808 1.00 . A A . 2 LYS CA 1 1 8 5221 1 1 2 LYS CB C -4.171 -10.135 2.575 1.00 . A A . 2 LYS CB 1 1 8 5222 1 1 2 LYS CD C -5.561 -12.163 3.136 1.00 . A A . 2 LYS CD 1 1 8 5223 1 1 2 LYS CE C -7.088 -12.059 3.144 1.00 . A A . 2 LYS CE 1 1 8 5224 1 1 2 LYS CG C -4.922 -10.884 3.678 1.00 . A A . 2 LYS CG 1 1 8 5225 1 1 2 LYS H H -6.005 -7.631 3.209 1.00 . A A . 2 LYS H 1 1 8 5226 1 1 2 LYS HA H -4.069 -8.458 3.875 1.00 . A A . 2 LYS HA 1 1 8 5227 1 1 2 LYS HB2 H -4.611 -10.372 1.606 1.00 . A A . 2 LYS HB2 1 1 8 5228 1 1 2 LYS HB3 H -3.134 -10.470 2.544 1.00 . A A . 2 LYS HB3 1 1 8 5229 1 1 2 LYS HD2 H -5.211 -12.346 2.120 1.00 . A A . 2 LYS HD2 1 1 8 5230 1 1 2 LYS HD3 H -5.248 -13.015 3.739 1.00 . A A . 2 LYS HD3 1 1 8 5231 1 1 2 LYS HE2 H -7.392 -11.133 3.631 1.00 . A A . 2 LYS HE2 1 1 8 5232 1 1 2 LYS HE3 H -7.461 -12.019 2.121 1.00 . A A . 2 LYS HE3 1 1 8 5233 1 1 2 LYS HG2 H -4.234 -11.132 4.487 1.00 . A A . 2 LYS HG2 1 1 8 5234 1 1 2 LYS HG3 H -5.692 -10.239 4.101 1.00 . A A . 2 LYS HG3 1 1 8 5235 1 1 2 LYS HZ1 H -7.379 -13.268 4.816 1.00 . A A . 2 LYS HZ1 1 1 8 5236 1 1 2 LYS HZ3 H -7.430 -14.097 3.415 1.00 . A A . 2 LYS HZ3 1 1 8 5237 1 1 2 LYS N N -5.527 -8.096 2.464 1.00 . A A . 2 LYS N 1 1 8 5238 1 1 2 LYS NZ N -7.682 -13.216 3.850 1.00 . A A . 2 LYS NZ 1 1 8 5239 1 1 2 LYS O O -3.457 -6.940 1.276 1.00 . A A . 2 LYS O 1 1 8 5240 1 1 3 LYS C C -1.198 -7.156 0.212 1.00 . A A . 3 LYS C 1 1 8 5241 1 1 3 LYS CA C -0.776 -7.594 1.616 1.00 . A A . 3 LYS CA 1 1 8 5242 1 1 3 LYS CB C 0.452 -8.506 1.633 1.00 . A A . 3 LYS CB 1 1 8 5243 1 1 3 LYS CD C 1.648 -7.467 3.595 1.00 . A A . 3 LYS CD 1 1 8 5244 1 1 3 LYS CE C 3.037 -7.799 4.145 1.00 . A A . 3 LYS CE 1 1 8 5245 1 1 3 LYS CG C 0.954 -8.722 3.062 1.00 . A A . 3 LYS CG 1 1 8 5246 1 1 3 LYS H H -1.653 -8.981 2.899 1.00 . A A . 3 LYS H 1 1 8 5247 1 1 3 LYS HA H -0.526 -6.705 2.194 1.00 . A A . 3 LYS HA 1 1 8 5248 1 1 3 LYS HB2 H 0.203 -9.466 1.182 1.00 . A A . 3 LYS HB2 1 1 8 5249 1 1 3 LYS HB3 H 1.244 -8.066 1.028 1.00 . A A . 3 LYS HB3 1 1 8 5250 1 1 3 LYS HD2 H 1.736 -6.729 2.797 1.00 . A A . 3 LYS HD2 1 1 8 5251 1 1 3 LYS HD3 H 1.041 -7.016 4.380 1.00 . A A . 3 LYS HD3 1 1 8 5252 1 1 3 LYS HE2 H 3.227 -8.868 4.047 1.00 . A A . 3 LYS HE2 1 1 8 5253 1 1 3 LYS HE3 H 3.799 -7.286 3.559 1.00 . A A . 3 LYS HE3 1 1 8 5254 1 1 3 LYS HG2 H 0.118 -8.982 3.710 1.00 . A A . 3 LYS HG2 1 1 8 5255 1 1 3 LYS HG3 H 1.648 -9.562 3.084 1.00 . A A . 3 LYS HG3 1 1 8 5256 1 1 3 LYS HZ1 H 3.123 -6.391 5.678 1.00 . A A . 3 LYS HZ1 1 1 8 5257 1 1 3 LYS HZ3 H 4.003 -7.725 5.990 1.00 . A A . 3 LYS HZ3 1 1 8 5258 1 1 3 LYS N N -1.899 -8.240 2.275 1.00 . A A . 3 LYS N 1 1 8 5259 1 1 3 LYS NZ N 3.142 -7.398 5.565 1.00 . A A . 3 LYS NZ 1 1 8 5260 1 1 3 LYS O O -1.717 -7.959 -0.563 1.00 . A A . 3 LYS O 1 1 8 5261 1 1 4 TYR C C -0.060 -4.848 -2.114 1.00 . A A . 4 TYR C 1 1 8 5262 1 1 4 TYR CA C -1.307 -5.331 -1.371 1.00 . A A . 4 TYR CA 1 1 8 5263 1 1 4 TYR CB C -2.214 -4.132 -1.088 1.00 . A A . 4 TYR CB 1 1 8 5264 1 1 4 TYR CD1 C -2.172 -3.833 1.415 1.00 . A A . 4 TYR CD1 1 1 8 5265 1 1 4 TYR CD2 C -4.212 -4.546 0.393 1.00 . A A . 4 TYR CD2 1 1 8 5266 1 1 4 TYR CE1 C -2.806 -3.871 2.707 1.00 . A A . 4 TYR CE1 1 1 8 5267 1 1 4 TYR CE2 C -4.846 -4.583 1.685 1.00 . A A . 4 TYR CE2 1 1 8 5268 1 1 4 TYR CG C -2.888 -4.172 0.285 1.00 . A A . 4 TYR CG 1 1 8 5269 1 1 4 TYR CZ C -4.112 -4.244 2.778 1.00 . A A . 4 TYR CZ 1 1 8 5270 1 1 4 TYR H H -0.536 -5.239 0.562 1.00 . A A . 4 TYR H 1 1 8 5271 1 1 4 TYR HA H -1.787 -6.117 -1.955 1.00 . A A . 4 TYR HA 1 1 8 5272 1 1 4 TYR HB2 H -1.625 -3.218 -1.166 1.00 . A A . 4 TYR HB2 1 1 8 5273 1 1 4 TYR HB3 H -2.984 -4.082 -1.858 1.00 . A A . 4 TYR HB3 1 1 8 5274 1 1 4 TYR HD1 H -1.126 -3.538 1.329 1.00 . A A . 4 TYR HD1 1 1 8 5275 1 1 4 TYR HD2 H -4.777 -4.813 -0.500 1.00 . A A . 4 TYR HD2 1 1 8 5276 1 1 4 TYR HE1 H -2.252 -3.606 3.608 1.00 . A A . 4 TYR HE1 1 1 8 5277 1 1 4 TYR HE2 H -5.891 -4.877 1.785 1.00 . A A . 4 TYR HE2 1 1 8 5278 1 1 4 TYR HH H -5.140 -3.397 4.195 1.00 . A A . 4 TYR HH 1 1 8 5279 1 1 4 TYR N N -0.959 -5.885 -0.074 1.00 . A A . 4 TYR N 1 1 8 5280 1 1 4 TYR O O 1.061 -5.057 -1.653 1.00 . A A . 4 TYR O 1 1 8 5281 1 1 4 TYR OH O -4.711 -4.279 3.999 1.00 . A A . 4 TYR OH 1 1 8 5282 1 1 5 VAL C C 0.294 -2.509 -4.886 1.00 . A A . 5 VAL C 1 1 8 5283 1 1 5 VAL CA C 0.794 -3.698 -4.063 1.00 . A A . 5 VAL CA 1 1 8 5284 1 1 5 VAL CB C 1.378 -4.818 -4.925 1.00 . A A . 5 VAL CB 1 1 8 5285 1 1 5 VAL CG1 C 0.611 -4.955 -6.241 1.00 . A A . 5 VAL CG1 1 1 8 5286 1 1 5 VAL CG2 C 2.870 -4.592 -5.180 1.00 . A A . 5 VAL CG2 1 1 8 5287 1 1 5 VAL H H -1.212 -4.046 -3.620 1.00 . A A . 5 VAL H 1 1 8 5288 1 1 5 VAL HA H 1.573 -3.352 -3.384 1.00 . A A . 5 VAL HA 1 1 8 5289 1 1 5 VAL HB H 1.271 -5.754 -4.376 1.00 . A A . 5 VAL HB 1 1 8 5290 1 1 5 VAL HG11 H 0.632 -5.994 -6.568 1.00 . A A . 5 VAL HG11 1 1 8 5291 1 1 5 VAL HG12 H -0.422 -4.641 -6.094 1.00 . A A . 5 VAL HG12 1 1 8 5292 1 1 5 VAL HG13 H 1.077 -4.326 -7.000 1.00 . A A . 5 VAL HG13 1 1 8 5293 1 1 5 VAL HG21 H 3.134 -3.571 -4.907 1.00 . A A . 5 VAL HG21 1 1 8 5294 1 1 5 VAL HG22 H 3.451 -5.291 -4.580 1.00 . A A . 5 VAL HG22 1 1 8 5295 1 1 5 VAL HG23 H 3.086 -4.753 -6.237 1.00 . A A . 5 VAL HG23 1 1 8 5296 1 1 5 VAL N N -0.297 -4.212 -3.252 1.00 . A A . 5 VAL N 1 1 8 5297 1 1 5 VAL O O -0.867 -2.472 -5.289 1.00 . A A . 5 VAL O 1 1 8 5298 1 1 6 CYS C C 0.054 -0.811 -7.105 1.00 . A A . 6 CYS C 1 1 8 5299 1 1 6 CYS CA C 0.863 -0.378 -5.880 1.00 . A A . 6 CYS CA 1 1 8 5300 1 1 6 CYS CB C 2.112 0.413 -6.272 1.00 . A A . 6 CYS CB 1 1 8 5301 1 1 6 CYS H H 2.140 -1.603 -4.781 1.00 . A A . 6 CYS H 1 1 8 5302 1 1 6 CYS HA H 0.266 0.259 -5.228 1.00 . A A . 6 CYS HA 1 1 8 5303 1 1 6 CYS HB2 H 2.506 0.906 -5.384 1.00 . A A . 6 CYS HB2 1 1 8 5304 1 1 6 CYS HB3 H 2.876 -0.287 -6.613 1.00 . A A . 6 CYS HB3 1 1 8 5305 1 1 6 CYS N N 1.197 -1.565 -5.112 1.00 . A A . 6 CYS N 1 1 8 5306 1 1 6 CYS O O -1.046 -0.310 -7.336 1.00 . A A . 6 CYS O 1 1 8 5307 1 1 6 CYS SG S 1.847 1.671 -7.574 1.00 . A A . 6 CYS SG 1 1 8 5308 1 1 7 THR C C 0.171 -1.270 -10.219 1.00 . A A . 7 THR C 1 1 8 5309 1 1 7 THR CA C -0.024 -2.241 -9.053 1.00 . A A . 7 THR CA 1 1 8 5310 1 1 7 THR CB C -1.494 -2.498 -8.716 1.00 . A A . 7 THR CB 1 1 8 5311 1 1 7 THR CG2 C -2.422 -1.423 -9.286 1.00 . A A . 7 THR CG2 1 1 8 5312 1 1 7 THR H H 1.524 -2.138 -7.664 1.00 . A A . 7 THR H 1 1 8 5313 1 1 7 THR HA H 0.453 -3.180 -9.336 1.00 . A A . 7 THR HA 1 1 8 5314 1 1 7 THR HB H -1.634 -2.602 -7.640 1.00 . A A . 7 THR HB 1 1 8 5315 1 1 7 THR HG1 H -1.581 -4.485 -8.933 1.00 . A A . 7 THR HG1 1 1 8 5316 1 1 7 THR HG21 H -2.749 -1.718 -10.283 1.00 . A A . 7 THR HG21 1 1 8 5317 1 1 7 THR HG22 H -3.291 -1.311 -8.637 1.00 . A A . 7 THR HG22 1 1 8 5318 1 1 7 THR HG23 H -1.887 -0.475 -9.344 1.00 . A A . 7 THR HG23 1 1 8 5319 1 1 7 THR N N 0.630 -1.736 -7.858 1.00 . A A . 7 THR N 1 1 8 5320 1 1 7 THR O O -0.516 -1.368 -11.235 1.00 . A A . 7 THR O 1 1 8 5321 1 1 7 THR OG1 O -1.822 -3.669 -9.458 1.00 . A A . 7 THR OG1 1 1 8 5322 1 1 8 VAL C C 2.914 0.669 -11.308 1.00 . A A . 8 VAL C 1 1 8 5323 1 1 8 VAL CA C 1.405 0.634 -11.057 1.00 . A A . 8 VAL CA 1 1 8 5324 1 1 8 VAL CB C 0.835 1.994 -10.651 1.00 . A A . 8 VAL CB 1 1 8 5325 1 1 8 VAL CG1 C 0.571 2.867 -11.879 1.00 . A A . 8 VAL CG1 1 1 8 5326 1 1 8 VAL CG2 C -0.434 1.828 -9.812 1.00 . A A . 8 VAL CG2 1 1 8 5327 1 1 8 VAL H H 1.665 -0.282 -9.205 1.00 . A A . 8 VAL H 1 1 8 5328 1 1 8 VAL HA H 0.905 0.318 -11.973 1.00 . A A . 8 VAL HA 1 1 8 5329 1 1 8 VAL HB H 1.580 2.499 -10.035 1.00 . A A . 8 VAL HB 1 1 8 5330 1 1 8 VAL HG11 H 0.575 3.917 -11.586 1.00 . A A . 8 VAL HG11 1 1 8 5331 1 1 8 VAL HG12 H 1.350 2.695 -12.622 1.00 . A A . 8 VAL HG12 1 1 8 5332 1 1 8 VAL HG13 H -0.400 2.612 -12.304 1.00 . A A . 8 VAL HG13 1 1 8 5333 1 1 8 VAL HG21 H -1.236 1.441 -10.440 1.00 . A A . 8 VAL HG21 1 1 8 5334 1 1 8 VAL HG22 H -0.242 1.131 -8.997 1.00 . A A . 8 VAL HG22 1 1 8 5335 1 1 8 VAL HG23 H -0.727 2.795 -9.402 1.00 . A A . 8 VAL HG23 1 1 8 5336 1 1 8 VAL N N 1.111 -0.355 -10.034 1.00 . A A . 8 VAL N 1 1 8 5337 1 1 8 VAL O O 3.356 0.715 -12.455 1.00 . A A . 8 VAL O 1 1 8 5338 1 1 9 CYS C C 5.662 -0.565 -9.589 1.00 . A A . 9 CYS C 1 1 8 5339 1 1 9 CYS CA C 5.114 0.672 -10.302 1.00 . A A . 9 CYS CA 1 1 8 5340 1 1 9 CYS CB C 5.690 1.967 -9.724 1.00 . A A . 9 CYS CB 1 1 8 5341 1 1 9 CYS H H 3.297 0.606 -9.286 1.00 . A A . 9 CYS H 1 1 8 5342 1 1 9 CYS HA H 5.365 0.651 -11.363 1.00 . A A . 9 CYS HA 1 1 8 5343 1 1 9 CYS HB2 H 6.678 2.131 -10.154 1.00 . A A . 9 CYS HB2 1 1 8 5344 1 1 9 CYS HB3 H 5.062 2.800 -10.040 1.00 . A A . 9 CYS HB3 1 1 8 5345 1 1 9 CYS N N 3.664 0.644 -10.216 1.00 . A A . 9 CYS N 1 1 8 5346 1 1 9 CYS O O 6.490 -1.289 -10.141 1.00 . A A . 9 CYS O 1 1 8 5347 1 1 9 CYS SG S 5.831 1.996 -7.900 1.00 . A A . 9 CYS SG 1 1 8 5348 1 1 10 GLY C C 6.090 -1.460 -6.196 1.00 . A A . 10 GLY C 1 1 8 5349 1 1 10 GLY CA C 5.610 -1.908 -7.578 1.00 . A A . 10 GLY CA 1 1 8 5350 1 1 10 GLY H H 4.505 -0.177 -7.931 1.00 . A A . 10 GLY H 1 1 8 5351 1 1 10 GLY HA2 H 4.786 -2.613 -7.470 1.00 . A A . 10 GLY HA2 1 1 8 5352 1 1 10 GLY HA3 H 6.413 -2.433 -8.094 1.00 . A A . 10 GLY HA3 1 1 8 5353 1 1 10 GLY N N 5.178 -0.770 -8.373 1.00 . A A . 10 GLY N 1 1 8 5354 1 1 10 GLY O O 7.225 -1.012 -6.044 1.00 . A A . 10 GLY O 1 1 8 5355 1 1 11 TYR C C 4.537 -1.841 -2.868 1.00 . A A . 11 TYR C 1 1 8 5356 1 1 11 TYR CA C 5.520 -1.214 -3.858 1.00 . A A . 11 TYR CA 1 1 8 5357 1 1 11 TYR CB C 5.379 0.309 -3.805 1.00 . A A . 11 TYR CB 1 1 8 5358 1 1 11 TYR CD1 C 6.861 0.885 -1.848 1.00 . A A . 11 TYR CD1 1 1 8 5359 1 1 11 TYR CD2 C 4.545 1.466 -1.726 1.00 . A A . 11 TYR CD2 1 1 8 5360 1 1 11 TYR CE1 C 7.071 1.447 -0.539 1.00 . A A . 11 TYR CE1 1 1 8 5361 1 1 11 TYR CE2 C 4.756 2.028 -0.417 1.00 . A A . 11 TYR CE2 1 1 8 5362 1 1 11 TYR CG C 5.602 0.906 -2.414 1.00 . A A . 11 TYR CG 1 1 8 5363 1 1 11 TYR CZ C 6.008 1.991 0.112 1.00 . A A . 11 TYR CZ 1 1 8 5364 1 1 11 TYR H H 4.280 -1.964 -5.354 1.00 . A A . 11 TYR H 1 1 8 5365 1 1 11 TYR HA H 6.526 -1.570 -3.635 1.00 . A A . 11 TYR HA 1 1 8 5366 1 1 11 TYR HB2 H 6.091 0.754 -4.499 1.00 . A A . 11 TYR HB2 1 1 8 5367 1 1 11 TYR HB3 H 4.382 0.583 -4.151 1.00 . A A . 11 TYR HB3 1 1 8 5368 1 1 11 TYR HD1 H 7.696 0.443 -2.392 1.00 . A A . 11 TYR HD1 1 1 8 5369 1 1 11 TYR HD2 H 3.551 1.483 -2.173 1.00 . A A . 11 TYR HD2 1 1 8 5370 1 1 11 TYR HE1 H 8.060 1.437 -0.081 1.00 . A A . 11 TYR HE1 1 1 8 5371 1 1 11 TYR HE2 H 3.930 2.474 0.138 1.00 . A A . 11 TYR HE2 1 1 8 5372 1 1 11 TYR HH H 6.812 1.931 1.881 1.00 . A A . 11 TYR HH 1 1 8 5373 1 1 11 TYR N N 5.201 -1.598 -5.223 1.00 . A A . 11 TYR N 1 1 8 5374 1 1 11 TYR O O 3.521 -1.235 -2.529 1.00 . A A . 11 TYR O 1 1 8 5375 1 1 11 TYR OH O 6.207 2.522 1.348 1.00 . A A . 11 TYR OH 1 1 8 5376 1 1 12 GLU C C 4.011 -3.036 -0.140 1.00 . A A . 12 GLU C 1 1 8 5377 1 1 12 GLU CA C 4.032 -3.761 -1.487 1.00 . A A . 12 GLU CA 1 1 8 5378 1 1 12 GLU CB C 4.500 -5.208 -1.323 1.00 . A A . 12 GLU CB 1 1 8 5379 1 1 12 GLU CD C 4.491 -6.932 0.518 1.00 . A A . 12 GLU CD 1 1 8 5380 1 1 12 GLU CG C 3.644 -5.948 -0.292 1.00 . A A . 12 GLU CG 1 1 8 5381 1 1 12 GLU H H 5.701 -3.531 -2.712 1.00 . A A . 12 GLU H 1 1 8 5382 1 1 12 GLU HA H 3.034 -3.755 -1.925 1.00 . A A . 12 GLU HA 1 1 8 5383 1 1 12 GLU HB2 H 4.445 -5.723 -2.283 1.00 . A A . 12 GLU HB2 1 1 8 5384 1 1 12 GLU HB3 H 5.544 -5.224 -1.013 1.00 . A A . 12 GLU HB3 1 1 8 5385 1 1 12 GLU HE2 H 4.833 -8.452 -0.539 1.00 . A A . 12 GLU HE2 1 1 8 5386 1 1 12 GLU HG2 H 3.174 -5.229 0.378 1.00 . A A . 12 GLU HG2 1 1 8 5387 1 1 12 GLU HG3 H 2.841 -6.484 -0.798 1.00 . A A . 12 GLU HG3 1 1 8 5388 1 1 12 GLU N N 4.873 -3.046 -2.431 1.00 . A A . 12 GLU N 1 1 8 5389 1 1 12 GLU O O 5.061 -2.682 0.395 1.00 . A A . 12 GLU O 1 1 8 5390 1 1 12 GLU OE1 O 5.299 -6.509 1.358 1.00 . A A . 12 GLU OE1 1 1 8 5391 1 1 12 GLU OE2 O 4.285 -8.177 0.250 1.00 . A A . 12 GLU OE2 1 1 8 5392 1 1 13 TYR C C 2.571 -3.166 2.796 1.00 . A A . 13 TYR C 1 1 8 5393 1 1 13 TYR CA C 2.634 -2.160 1.645 1.00 . A A . 13 TYR CA 1 1 8 5394 1 1 13 TYR CB C 1.296 -1.422 1.555 1.00 . A A . 13 TYR CB 1 1 8 5395 1 1 13 TYR CD1 C 1.412 0.091 3.568 1.00 . A A . 13 TYR CD1 1 1 8 5396 1 1 13 TYR CD2 C -0.361 -1.508 3.452 1.00 . A A . 13 TYR CD2 1 1 8 5397 1 1 13 TYR CE1 C 0.912 0.554 4.837 1.00 . A A . 13 TYR CE1 1 1 8 5398 1 1 13 TYR CE2 C -0.862 -1.045 4.721 1.00 . A A . 13 TYR CE2 1 1 8 5399 1 1 13 TYR CG C 0.765 -0.930 2.902 1.00 . A A . 13 TYR CG 1 1 8 5400 1 1 13 TYR CZ C -0.201 -0.037 5.350 1.00 . A A . 13 TYR CZ 1 1 8 5401 1 1 13 TYR H H 1.956 -3.128 -0.071 1.00 . A A . 13 TYR H 1 1 8 5402 1 1 13 TYR HA H 3.490 -1.502 1.794 1.00 . A A . 13 TYR HA 1 1 8 5403 1 1 13 TYR HB2 H 1.409 -0.569 0.886 1.00 . A A . 13 TYR HB2 1 1 8 5404 1 1 13 TYR HB3 H 0.557 -2.085 1.104 1.00 . A A . 13 TYR HB3 1 1 8 5405 1 1 13 TYR HD1 H 2.302 0.547 3.134 1.00 . A A . 13 TYR HD1 1 1 8 5406 1 1 13 TYR HD2 H -0.872 -2.314 2.926 1.00 . A A . 13 TYR HD2 1 1 8 5407 1 1 13 TYR HE1 H 1.413 1.359 5.373 1.00 . A A . 13 TYR HE1 1 1 8 5408 1 1 13 TYR HE2 H -1.750 -1.492 5.166 1.00 . A A . 13 TYR HE2 1 1 8 5409 1 1 13 TYR HH H -0.250 -0.117 7.292 1.00 . A A . 13 TYR HH 1 1 8 5410 1 1 13 TYR N N 2.805 -2.837 0.371 1.00 . A A . 13 TYR N 1 1 8 5411 1 1 13 TYR O O 2.045 -4.267 2.635 1.00 . A A . 13 TYR O 1 1 8 5412 1 1 13 TYR OH O -0.673 0.400 6.548 1.00 . A A . 13 TYR OH 1 1 8 5413 1 1 14 ASP C C 2.214 -3.002 6.178 1.00 . A A . 14 ASP C 1 1 8 5414 1 1 14 ASP CA C 3.127 -3.605 5.108 1.00 . A A . 14 ASP CA 1 1 8 5415 1 1 14 ASP CB C 4.536 -3.713 5.696 1.00 . A A . 14 ASP CB 1 1 8 5416 1 1 14 ASP CG C 5.347 -4.916 5.213 1.00 . A A . 14 ASP CG 1 1 8 5417 1 1 14 ASP H H 3.540 -1.857 4.054 1.00 . A A . 14 ASP H 1 1 8 5418 1 1 14 ASP HA H 2.778 -4.578 4.762 1.00 . A A . 14 ASP HA 1 1 8 5419 1 1 14 ASP HB2 H 5.084 -2.803 5.454 1.00 . A A . 14 ASP HB2 1 1 8 5420 1 1 14 ASP HB3 H 4.458 -3.758 6.782 1.00 . A A . 14 ASP HB3 1 1 8 5421 1 1 14 ASP HD2 H 7.039 -5.696 5.485 1.00 . A A . 14 ASP HD2 1 1 8 5422 1 1 14 ASP N N 3.115 -2.753 3.931 1.00 . A A . 14 ASP N 1 1 8 5423 1 1 14 ASP O O 2.574 -2.020 6.825 1.00 . A A . 14 ASP O 1 1 8 5424 1 1 14 ASP OD1 O 5.092 -5.466 4.131 1.00 . A A . 14 ASP OD1 1 1 8 5425 1 1 14 ASP OD2 O 6.289 -5.294 6.009 1.00 . A A . 14 ASP OD2 1 1 8 5426 1 1 15 PRO C C 0.479 -3.554 8.732 1.00 . A A . 15 PRO C 1 1 8 5427 1 1 15 PRO CA C 0.051 -3.169 7.315 1.00 . A A . 15 PRO CA 1 1 8 5428 1 1 15 PRO CB C -1.266 -3.804 6.899 1.00 . A A . 15 PRO CB 1 1 8 5429 1 1 15 PRO CD C 0.558 -4.798 5.586 1.00 . A A . 15 PRO CD 1 1 8 5430 1 1 15 PRO CG C -0.899 -4.962 5.985 1.00 . A A . 15 PRO CG 1 1 8 5431 1 1 15 PRO HA H 0.000 -2.170 7.306 1.00 . A A . 15 PRO HA 1 1 8 5432 1 1 15 PRO HB2 H -1.822 -4.154 7.768 1.00 . A A . 15 PRO HB2 1 1 8 5433 1 1 15 PRO HB3 H -1.900 -3.085 6.382 1.00 . A A . 15 PRO HB3 1 1 8 5434 1 1 15 PRO HD2 H 1.140 -5.685 5.838 1.00 . A A . 15 PRO HD2 1 1 8 5435 1 1 15 PRO HD3 H 0.660 -4.644 4.512 1.00 . A A . 15 PRO HD3 1 1 8 5436 1 1 15 PRO HG2 H -1.051 -5.914 6.495 1.00 . A A . 15 PRO HG2 1 1 8 5437 1 1 15 PRO HG3 H -1.538 -4.969 5.102 1.00 . A A . 15 PRO HG3 1 1 8 5438 1 1 15 PRO N N 1.019 -3.632 6.335 1.00 . A A . 15 PRO N 1 1 8 5439 1 1 15 PRO O O 0.216 -2.821 9.684 1.00 . A A . 15 PRO O 1 1 8 5440 1 1 16 ALA C C 2.816 -4.378 10.554 1.00 . A A . 16 ALA C 1 1 8 5441 1 1 16 ALA CA C 1.599 -5.194 10.113 1.00 . A A . 16 ALA CA 1 1 8 5442 1 1 16 ALA CB C 1.906 -6.689 10.008 1.00 . A A . 16 ALA CB 1 1 8 5443 1 1 16 ALA H H 1.342 -5.293 8.048 1.00 . A A . 16 ALA H 1 1 8 5444 1 1 16 ALA HA H 0.795 -5.050 10.835 1.00 . A A . 16 ALA HA 1 1 8 5445 1 1 16 ALA HB1 H 2.983 -6.843 10.059 1.00 . A A . 16 ALA HB1 1 1 8 5446 1 1 16 ALA HB2 H 1.423 -7.218 10.830 1.00 . A A . 16 ALA HB2 1 1 8 5447 1 1 16 ALA HB3 H 1.529 -7.071 9.059 1.00 . A A . 16 ALA HB3 1 1 8 5448 1 1 16 ALA N N 1.132 -4.703 8.828 1.00 . A A . 16 ALA N 1 1 8 5449 1 1 16 ALA O O 3.264 -4.492 11.694 1.00 . A A . 16 ALA O 1 1 8 5450 1 1 17 GLU C C 4.071 -1.265 9.930 1.00 . A A . 17 GLU C 1 1 8 5451 1 1 17 GLU CA C 4.474 -2.741 9.906 1.00 . A A . 17 GLU CA 1 1 8 5452 1 1 17 GLU CB C 5.587 -2.988 8.885 1.00 . A A . 17 GLU CB 1 1 8 5453 1 1 17 GLU CD C 7.526 -3.488 10.418 1.00 . A A . 17 GLU CD 1 1 8 5454 1 1 17 GLU CG C 6.935 -2.496 9.414 1.00 . A A . 17 GLU CG 1 1 8 5455 1 1 17 GLU H H 2.947 -3.489 8.702 1.00 . A A . 17 GLU H 1 1 8 5456 1 1 17 GLU HA H 4.820 -3.047 10.893 1.00 . A A . 17 GLU HA 1 1 8 5457 1 1 17 GLU HB2 H 5.648 -4.053 8.659 1.00 . A A . 17 GLU HB2 1 1 8 5458 1 1 17 GLU HB3 H 5.350 -2.478 7.952 1.00 . A A . 17 GLU HB3 1 1 8 5459 1 1 17 GLU HE2 H 9.321 -3.123 9.981 1.00 . A A . 17 GLU HE2 1 1 8 5460 1 1 17 GLU HG2 H 7.627 -2.358 8.584 1.00 . A A . 17 GLU HG2 1 1 8 5461 1 1 17 GLU HG3 H 6.810 -1.523 9.890 1.00 . A A . 17 GLU HG3 1 1 8 5462 1 1 17 GLU N N 3.317 -3.575 9.627 1.00 . A A . 17 GLU N 1 1 8 5463 1 1 17 GLU O O 4.296 -0.573 10.922 1.00 . A A . 17 GLU O 1 1 8 5464 1 1 17 GLU OE1 O 6.867 -3.835 11.409 1.00 . A A . 17 GLU OE1 1 1 8 5465 1 1 17 GLU OE2 O 8.715 -3.903 10.139 1.00 . A A . 17 GLU OE2 1 1 8 5466 1 1 18 GLY C C 3.741 1.251 7.539 1.00 . A A . 18 GLY C 1 1 8 5467 1 1 18 GLY CA C 3.046 0.554 8.710 1.00 . A A . 18 GLY CA 1 1 8 5468 1 1 18 GLY H H 3.303 -1.397 8.025 1.00 . A A . 18 GLY H 1 1 8 5469 1 1 18 GLY HA2 H 1.966 0.587 8.568 1.00 . A A . 18 GLY HA2 1 1 8 5470 1 1 18 GLY HA3 H 3.262 1.087 9.636 1.00 . A A . 18 GLY HA3 1 1 8 5471 1 1 18 GLY N N 3.482 -0.827 8.827 1.00 . A A . 18 GLY N 1 1 8 5472 1 1 18 GLY O O 3.894 0.668 6.467 1.00 . A A . 18 GLY O 1 1 8 5473 1 1 19 ASP C C 5.325 4.578 7.380 1.00 . A A . 19 ASP C 1 1 8 5474 1 1 19 ASP CA C 4.820 3.272 6.764 1.00 . A A . 19 ASP CA 1 1 8 5475 1 1 19 ASP CB C 3.867 3.627 5.621 1.00 . A A . 19 ASP CB 1 1 8 5476 1 1 19 ASP CG C 4.494 3.603 4.225 1.00 . A A . 19 ASP CG 1 1 8 5477 1 1 19 ASP H H 4.016 2.956 8.659 1.00 . A A . 19 ASP H 1 1 8 5478 1 1 19 ASP HA H 5.631 2.638 6.407 1.00 . A A . 19 ASP HA 1 1 8 5479 1 1 19 ASP HB2 H 3.028 2.931 5.638 1.00 . A A . 19 ASP HB2 1 1 8 5480 1 1 19 ASP HB3 H 3.460 4.621 5.802 1.00 . A A . 19 ASP HB3 1 1 8 5481 1 1 19 ASP HD2 H 3.379 2.141 3.816 1.00 . A A . 19 ASP HD2 1 1 8 5482 1 1 19 ASP N N 4.144 2.489 7.784 1.00 . A A . 19 ASP N 1 1 8 5483 1 1 19 ASP O O 4.534 5.457 7.717 1.00 . A A . 19 ASP O 1 1 8 5484 1 1 19 ASP OD1 O 5.176 4.553 3.815 1.00 . A A . 19 ASP OD1 1 1 8 5485 1 1 19 ASP OD2 O 4.254 2.537 3.539 1.00 . A A . 19 ASP OD2 1 1 8 5486 1 1 20 PRO C C 7.284 7.010 7.085 1.00 . A A . 20 PRO C 1 1 8 5487 1 1 20 PRO CA C 7.296 5.850 8.083 1.00 . A A . 20 PRO CA 1 1 8 5488 1 1 20 PRO CB C 8.700 5.412 8.467 1.00 . A A . 20 PRO CB 1 1 8 5489 1 1 20 PRO CD C 7.645 3.645 7.125 1.00 . A A . 20 PRO CD 1 1 8 5490 1 1 20 PRO CG C 8.971 4.141 7.679 1.00 . A A . 20 PRO CG 1 1 8 5491 1 1 20 PRO HA H 6.777 6.167 8.876 1.00 . A A . 20 PRO HA 1 1 8 5492 1 1 20 PRO HB2 H 9.430 6.184 8.224 1.00 . A A . 20 PRO HB2 1 1 8 5493 1 1 20 PRO HB3 H 8.773 5.231 9.539 1.00 . A A . 20 PRO HB3 1 1 8 5494 1 1 20 PRO HD2 H 7.687 3.530 6.042 1.00 . A A . 20 PRO HD2 1 1 8 5495 1 1 20 PRO HD3 H 7.381 2.672 7.539 1.00 . A A . 20 PRO HD3 1 1 8 5496 1 1 20 PRO HG2 H 9.674 4.335 6.870 1.00 . A A . 20 PRO HG2 1 1 8 5497 1 1 20 PRO HG3 H 9.423 3.384 8.320 1.00 . A A . 20 PRO HG3 1 1 8 5498 1 1 20 PRO N N 6.676 4.666 7.513 1.00 . A A . 20 PRO N 1 1 8 5499 1 1 20 PRO O O 7.110 8.165 7.472 1.00 . A A . 20 PRO O 1 1 8 5500 1 1 21 ASP C C 6.444 8.740 5.076 1.00 . A A . 21 ASP C 1 1 8 5501 1 1 21 ASP CA C 7.483 7.661 4.764 1.00 . A A . 21 ASP CA 1 1 8 5502 1 1 21 ASP CB C 7.126 7.037 3.413 1.00 . A A . 21 ASP CB 1 1 8 5503 1 1 21 ASP CG C 7.753 7.725 2.198 1.00 . A A . 21 ASP CG 1 1 8 5504 1 1 21 ASP H H 7.611 5.721 5.514 1.00 . A A . 21 ASP H 1 1 8 5505 1 1 21 ASP HA H 8.500 8.052 4.752 1.00 . A A . 21 ASP HA 1 1 8 5506 1 1 21 ASP HB2 H 7.435 5.992 3.419 1.00 . A A . 21 ASP HB2 1 1 8 5507 1 1 21 ASP HB3 H 6.042 7.049 3.299 1.00 . A A . 21 ASP HB3 1 1 8 5508 1 1 21 ASP HD2 H 8.731 7.360 0.630 1.00 . A A . 21 ASP HD2 1 1 8 5509 1 1 21 ASP N N 7.471 6.663 5.820 1.00 . A A . 21 ASP N 1 1 8 5510 1 1 21 ASP O O 6.731 9.931 4.971 1.00 . A A . 21 ASP O 1 1 8 5511 1 1 21 ASP OD1 O 7.421 8.874 1.873 1.00 . A A . 21 ASP OD1 1 1 8 5512 1 1 21 ASP OD2 O 8.629 7.021 1.565 1.00 . A A . 21 ASP OD2 1 1 8 5513 1 1 22 ASN C C 4.007 9.254 7.300 1.00 . A A . 22 ASN C 1 1 8 5514 1 1 22 ASN CA C 4.175 9.195 5.780 1.00 . A A . 22 ASN CA 1 1 8 5515 1 1 22 ASN CB C 2.853 8.719 5.176 1.00 . A A . 22 ASN CB 1 1 8 5516 1 1 22 ASN CG C 2.604 9.373 3.816 1.00 . A A . 22 ASN CG 1 1 8 5517 1 1 22 ASN H H 5.033 7.313 5.535 1.00 . A A . 22 ASN H 1 1 8 5518 1 1 22 ASN HA H 4.470 10.154 5.355 1.00 . A A . 22 ASN HA 1 1 8 5519 1 1 22 ASN HB2 H 2.870 7.634 5.064 1.00 . A A . 22 ASN HB2 1 1 8 5520 1 1 22 ASN HB3 H 2.033 8.956 5.854 1.00 . A A . 22 ASN HB3 1 1 8 5521 1 1 22 ASN HD21 H 4.188 8.346 3.085 1.00 . A A . 22 ASN HD21 1 1 8 5522 1 1 22 ASN HD22 H 3.382 9.374 1.947 1.00 . A A . 22 ASN HD22 1 1 8 5523 1 1 22 ASN N N 5.259 8.283 5.452 1.00 . A A . 22 ASN N 1 1 8 5524 1 1 22 ASN ND2 N 3.463 9.000 2.871 1.00 . A A . 22 ASN ND2 1 1 8 5525 1 1 22 ASN O O 3.887 10.336 7.872 1.00 . A A . 22 ASN O 1 1 8 5526 1 1 22 ASN OD1 O 1.693 10.164 3.636 1.00 . A A . 22 ASN OD1 1 1 8 5527 1 1 23 GLY C C 2.691 7.056 9.720 1.00 . A A . 23 GLY C 1 1 8 5528 1 1 23 GLY CA C 3.852 7.983 9.351 1.00 . A A . 23 GLY CA 1 1 8 5529 1 1 23 GLY H H 4.102 7.203 7.436 1.00 . A A . 23 GLY H 1 1 8 5530 1 1 23 GLY HA2 H 4.775 7.609 9.794 1.00 . A A . 23 GLY HA2 1 1 8 5531 1 1 23 GLY HA3 H 3.676 8.975 9.768 1.00 . A A . 23 GLY HA3 1 1 8 5532 1 1 23 GLY N N 4.003 8.078 7.909 1.00 . A A . 23 GLY N 1 1 8 5533 1 1 23 GLY O O 1.592 7.520 10.018 1.00 . A A . 23 GLY O 1 1 8 5534 1 1 24 VAL C C 2.557 3.763 11.011 1.00 . A A . 24 VAL C 1 1 8 5535 1 1 24 VAL CA C 1.970 4.767 10.017 1.00 . A A . 24 VAL CA 1 1 8 5536 1 1 24 VAL CB C 1.451 4.107 8.737 1.00 . A A . 24 VAL CB 1 1 8 5537 1 1 24 VAL CG1 C 0.656 2.840 9.058 1.00 . A A . 24 VAL CG1 1 1 8 5538 1 1 24 VAL CG2 C 0.612 5.088 7.916 1.00 . A A . 24 VAL CG2 1 1 8 5539 1 1 24 VAL H H 3.873 5.393 9.446 1.00 . A A . 24 VAL H 1 1 8 5540 1 1 24 VAL HA H 1.137 5.285 10.491 1.00 . A A . 24 VAL HA 1 1 8 5541 1 1 24 VAL HB H 2.313 3.818 8.136 1.00 . A A . 24 VAL HB 1 1 8 5542 1 1 24 VAL HG11 H 1.225 2.218 9.749 1.00 . A A . 24 VAL HG11 1 1 8 5543 1 1 24 VAL HG12 H -0.295 3.114 9.515 1.00 . A A . 24 VAL HG12 1 1 8 5544 1 1 24 VAL HG13 H 0.471 2.284 8.139 1.00 . A A . 24 VAL HG13 1 1 8 5545 1 1 24 VAL HG21 H 1.103 5.275 6.961 1.00 . A A . 24 VAL HG21 1 1 8 5546 1 1 24 VAL HG22 H -0.375 4.662 7.739 1.00 . A A . 24 VAL HG22 1 1 8 5547 1 1 24 VAL HG23 H 0.511 6.025 8.463 1.00 . A A . 24 VAL HG23 1 1 8 5548 1 1 24 VAL N N 2.976 5.763 9.689 1.00 . A A . 24 VAL N 1 1 8 5549 1 1 24 VAL O O 3.741 3.436 10.943 1.00 . A A . 24 VAL O 1 1 8 5550 1 1 25 LYS C C 1.895 0.924 12.392 1.00 . A A . 25 LYS C 1 1 8 5551 1 1 25 LYS CA C 2.121 2.343 12.919 1.00 . A A . 25 LYS CA 1 1 8 5552 1 1 25 LYS CB C 1.420 2.622 14.250 1.00 . A A . 25 LYS CB 1 1 8 5553 1 1 25 LYS CD C -0.959 2.732 15.079 1.00 . A A . 25 LYS CD 1 1 8 5554 1 1 25 LYS CE C -2.365 2.153 14.903 1.00 . A A . 25 LYS CE 1 1 8 5555 1 1 25 LYS CG C 0.076 1.894 14.326 1.00 . A A . 25 LYS CG 1 1 8 5556 1 1 25 LYS H H 0.741 3.573 11.961 1.00 . A A . 25 LYS H 1 1 8 5557 1 1 25 LYS HA H 3.189 2.485 13.082 1.00 . A A . 25 LYS HA 1 1 8 5558 1 1 25 LYS HB2 H 2.057 2.304 15.075 1.00 . A A . 25 LYS HB2 1 1 8 5559 1 1 25 LYS HB3 H 1.264 3.695 14.365 1.00 . A A . 25 LYS HB3 1 1 8 5560 1 1 25 LYS HD2 H -0.705 2.765 16.138 1.00 . A A . 25 LYS HD2 1 1 8 5561 1 1 25 LYS HD3 H -0.937 3.759 14.714 1.00 . A A . 25 LYS HD3 1 1 8 5562 1 1 25 LYS HE2 H -2.299 1.114 14.581 1.00 . A A . 25 LYS HE2 1 1 8 5563 1 1 25 LYS HE3 H -2.888 2.158 15.859 1.00 . A A . 25 LYS HE3 1 1 8 5564 1 1 25 LYS HG2 H -0.284 1.683 13.319 1.00 . A A . 25 LYS HG2 1 1 8 5565 1 1 25 LYS HG3 H 0.206 0.935 14.826 1.00 . A A . 25 LYS HG3 1 1 8 5566 1 1 25 LYS HZ1 H -3.305 2.411 13.062 1.00 . A A . 25 LYS HZ1 1 1 8 5567 1 1 25 LYS HZ3 H -2.637 3.782 13.632 1.00 . A A . 25 LYS HZ3 1 1 8 5568 1 1 25 LYS N N 1.702 3.302 11.912 1.00 . A A . 25 LYS N 1 1 8 5569 1 1 25 LYS NZ N -3.128 2.940 13.909 1.00 . A A . 25 LYS NZ 1 1 8 5570 1 1 25 LYS O O 1.188 0.731 11.404 1.00 . A A . 25 LYS O 1 1 8 5571 1 1 26 PRO C C 1.029 -2.008 13.092 1.00 . A A . 26 PRO C 1 1 8 5572 1 1 26 PRO CA C 2.401 -1.451 12.704 1.00 . A A . 26 PRO CA 1 1 8 5573 1 1 26 PRO CB C 3.549 -2.159 13.404 1.00 . A A . 26 PRO CB 1 1 8 5574 1 1 26 PRO CD C 3.371 0.135 14.266 1.00 . A A . 26 PRO CD 1 1 8 5575 1 1 26 PRO CG C 3.993 -1.228 14.521 1.00 . A A . 26 PRO CG 1 1 8 5576 1 1 26 PRO HA H 2.461 -1.542 11.710 1.00 . A A . 26 PRO HA 1 1 8 5577 1 1 26 PRO HB2 H 3.230 -3.122 13.802 1.00 . A A . 26 PRO HB2 1 1 8 5578 1 1 26 PRO HB3 H 4.367 -2.356 12.712 1.00 . A A . 26 PRO HB3 1 1 8 5579 1 1 26 PRO HD2 H 2.788 0.471 15.123 1.00 . A A . 26 PRO HD2 1 1 8 5580 1 1 26 PRO HD3 H 4.135 0.891 14.085 1.00 . A A . 26 PRO HD3 1 1 8 5581 1 1 26 PRO HG2 H 3.678 -1.616 15.489 1.00 . A A . 26 PRO HG2 1 1 8 5582 1 1 26 PRO HG3 H 5.080 -1.153 14.546 1.00 . A A . 26 PRO HG3 1 1 8 5583 1 1 26 PRO N N 2.526 -0.057 13.091 1.00 . A A . 26 PRO N 1 1 8 5584 1 1 26 PRO O O 0.474 -1.635 14.124 1.00 . A A . 26 PRO O 1 1 8 5585 1 1 27 GLY C C -1.884 -2.736 11.765 1.00 . A A . 27 GLY C 1 1 8 5586 1 1 27 GLY CA C -0.773 -3.502 12.486 1.00 . A A . 27 GLY CA 1 1 8 5587 1 1 27 GLY H H 0.981 -3.189 11.407 1.00 . A A . 27 GLY H 1 1 8 5588 1 1 27 GLY HA2 H -0.760 -4.538 12.146 1.00 . A A . 27 GLY HA2 1 1 8 5589 1 1 27 GLY HA3 H -0.976 -3.522 13.557 1.00 . A A . 27 GLY HA3 1 1 8 5590 1 1 27 GLY N N 0.523 -2.891 12.245 1.00 . A A . 27 GLY N 1 1 8 5591 1 1 27 GLY O O -3.002 -3.232 11.638 1.00 . A A . 27 GLY O 1 1 8 5592 1 1 28 THR C C -2.944 -1.381 9.313 1.00 . A A . 28 THR C 1 1 8 5593 1 1 28 THR CA C -2.490 -0.702 10.607 1.00 . A A . 28 THR CA 1 1 8 5594 1 1 28 THR CB C -1.840 0.665 10.379 1.00 . A A . 28 THR CB 1 1 8 5595 1 1 28 THR CG2 C -2.752 1.627 9.615 1.00 . A A . 28 THR CG2 1 1 8 5596 1 1 28 THR H H -0.624 -1.146 11.419 1.00 . A A . 28 THR H 1 1 8 5597 1 1 28 THR HA H -3.374 -0.585 11.233 1.00 . A A . 28 THR HA 1 1 8 5598 1 1 28 THR HB H -0.878 0.559 9.878 1.00 . A A . 28 THR HB 1 1 8 5599 1 1 28 THR HG1 H -1.583 2.213 11.621 1.00 . A A . 28 THR HG1 1 1 8 5600 1 1 28 THR HG21 H -2.197 2.531 9.364 1.00 . A A . 28 THR HG21 1 1 8 5601 1 1 28 THR HG22 H -3.100 1.148 8.700 1.00 . A A . 28 THR HG22 1 1 8 5602 1 1 28 THR HG23 H -3.608 1.887 10.237 1.00 . A A . 28 THR HG23 1 1 8 5603 1 1 28 THR N N -1.536 -1.541 11.312 1.00 . A A . 28 THR N 1 1 8 5604 1 1 28 THR O O -2.276 -2.286 8.815 1.00 . A A . 28 THR O 1 1 8 5605 1 1 28 THR OG1 O -1.755 1.230 11.684 1.00 . A A . 28 THR OG1 1 1 8 5606 1 1 29 SER C C -4.613 -0.412 6.476 1.00 . A A . 29 SER C 1 1 8 5607 1 1 29 SER CA C -4.629 -1.471 7.580 1.00 . A A . 29 SER CA 1 1 8 5608 1 1 29 SER CB C -6.053 -1.987 7.800 1.00 . A A . 29 SER CB 1 1 8 5609 1 1 29 SER H H -4.615 -0.183 9.217 1.00 . A A . 29 SER H 1 1 8 5610 1 1 29 SER HA H -3.977 -2.305 7.321 1.00 . A A . 29 SER HA 1 1 8 5611 1 1 29 SER HB2 H -6.240 -2.829 7.133 1.00 . A A . 29 SER HB2 1 1 8 5612 1 1 29 SER HB3 H -6.150 -2.360 8.819 1.00 . A A . 29 SER HB3 1 1 8 5613 1 1 29 SER HG H -7.785 -1.345 7.032 1.00 . A A . 29 SER HG 1 1 8 5614 1 1 29 SER N N -4.078 -0.919 8.806 1.00 . A A . 29 SER N 1 1 8 5615 1 1 29 SER O O -4.791 0.774 6.746 1.00 . A A . 29 SER O 1 1 8 5616 1 1 29 SER OG O -7.029 -0.974 7.570 1.00 . A A . 29 SER OG 1 1 8 5617 1 1 30 PHE C C -5.684 0.749 3.939 1.00 . A A . 30 PHE C 1 1 8 5618 1 1 30 PHE CA C -4.355 0.012 4.109 1.00 . A A . 30 PHE CA 1 1 8 5619 1 1 30 PHE CB C -4.106 -0.857 2.875 1.00 . A A . 30 PHE CB 1 1 8 5620 1 1 30 PHE CD1 C -4.667 0.619 0.931 1.00 . A A . 30 PHE CD1 1 1 8 5621 1 1 30 PHE CD2 C -2.424 -0.047 1.205 1.00 . A A . 30 PHE CD2 1 1 8 5622 1 1 30 PHE CE1 C -4.307 1.354 -0.229 1.00 . A A . 30 PHE CE1 1 1 8 5623 1 1 30 PHE CE2 C -2.064 0.687 0.044 1.00 . A A . 30 PHE CE2 1 1 8 5624 1 1 30 PHE CG C -3.718 -0.066 1.624 1.00 . A A . 30 PHE CG 1 1 8 5625 1 1 30 PHE CZ C -3.013 1.372 -0.648 1.00 . A A . 30 PHE CZ 1 1 8 5626 1 1 30 PHE H H -4.252 -1.847 5.044 1.00 . A A . 30 PHE H 1 1 8 5627 1 1 30 PHE HA H -3.561 0.736 4.291 1.00 . A A . 30 PHE HA 1 1 8 5628 1 1 30 PHE HB2 H -3.314 -1.572 3.100 1.00 . A A . 30 PHE HB2 1 1 8 5629 1 1 30 PHE HB3 H -5.006 -1.435 2.662 1.00 . A A . 30 PHE HB3 1 1 8 5630 1 1 30 PHE HD1 H -5.704 0.604 1.267 1.00 . A A . 30 PHE HD1 1 1 8 5631 1 1 30 PHE HD2 H -1.664 -0.596 1.760 1.00 . A A . 30 PHE HD2 1 1 8 5632 1 1 30 PHE HE1 H -5.067 1.903 -0.785 1.00 . A A . 30 PHE HE1 1 1 8 5633 1 1 30 PHE HE2 H -1.027 0.702 -0.291 1.00 . A A . 30 PHE HE2 1 1 8 5634 1 1 30 PHE HZ H -2.737 1.936 -1.539 1.00 . A A . 30 PHE HZ 1 1 8 5635 1 1 30 PHE N N -4.397 -0.880 5.255 1.00 . A A . 30 PHE N 1 1 8 5636 1 1 30 PHE O O -5.747 1.776 3.265 1.00 . A A . 30 PHE O 1 1 8 5637 1 1 31 ASP C C -8.117 1.977 5.449 1.00 . A A . 31 ASP C 1 1 8 5638 1 1 31 ASP CA C -8.040 0.789 4.488 1.00 . A A . 31 ASP CA 1 1 8 5639 1 1 31 ASP CB C -9.117 -0.219 4.894 1.00 . A A . 31 ASP CB 1 1 8 5640 1 1 31 ASP CG C -10.482 -0.007 4.236 1.00 . A A . 31 ASP CG 1 1 8 5641 1 1 31 ASP H H -6.656 -0.639 5.108 1.00 . A A . 31 ASP H 1 1 8 5642 1 1 31 ASP HA H -8.163 1.086 3.446 1.00 . A A . 31 ASP HA 1 1 8 5643 1 1 31 ASP HB2 H -8.765 -1.222 4.651 1.00 . A A . 31 ASP HB2 1 1 8 5644 1 1 31 ASP HB3 H -9.242 -0.178 5.976 1.00 . A A . 31 ASP HB3 1 1 8 5645 1 1 31 ASP HD2 H -10.711 -1.480 3.085 1.00 . A A . 31 ASP HD2 1 1 8 5646 1 1 31 ASP N N -6.715 0.196 4.562 1.00 . A A . 31 ASP N 1 1 8 5647 1 1 31 ASP O O -8.959 2.858 5.286 1.00 . A A . 31 ASP O 1 1 8 5648 1 1 31 ASP OD1 O -11.392 0.588 4.831 1.00 . A A . 31 ASP OD1 1 1 8 5649 1 1 31 ASP OD2 O -10.593 -0.488 3.044 1.00 . A A . 31 ASP OD2 1 1 8 5650 1 1 32 ASP C C -6.076 4.016 7.046 1.00 . A A . 32 ASP C 1 1 8 5651 1 1 32 ASP CA C -7.183 3.027 7.417 1.00 . A A . 32 ASP CA 1 1 8 5652 1 1 32 ASP CB C -6.875 2.474 8.810 1.00 . A A . 32 ASP CB 1 1 8 5653 1 1 32 ASP CG C -7.968 2.706 9.854 1.00 . A A . 32 ASP CG 1 1 8 5654 1 1 32 ASP H H -6.544 1.241 6.555 1.00 . A A . 32 ASP H 1 1 8 5655 1 1 32 ASP HA H -8.173 3.481 7.393 1.00 . A A . 32 ASP HA 1 1 8 5656 1 1 32 ASP HB2 H -6.693 1.403 8.728 1.00 . A A . 32 ASP HB2 1 1 8 5657 1 1 32 ASP HB3 H -5.950 2.927 9.168 1.00 . A A . 32 ASP HB3 1 1 8 5658 1 1 32 ASP HD2 H -9.289 1.941 8.751 1.00 . A A . 32 ASP HD2 1 1 8 5659 1 1 32 ASP N N -7.226 1.962 6.430 1.00 . A A . 32 ASP N 1 1 8 5660 1 1 32 ASP O O -5.798 4.951 7.795 1.00 . A A . 32 ASP O 1 1 8 5661 1 1 32 ASP OD1 O -7.823 3.545 10.757 1.00 . A A . 32 ASP OD1 1 1 8 5662 1 1 32 ASP OD2 O -9.021 1.973 9.714 1.00 . A A . 32 ASP OD2 1 1 8 5663 1 1 33 LEU C C -5.001 5.953 4.910 1.00 . A A . 33 LEU C 1 1 8 5664 1 1 33 LEU CA C -4.406 4.634 5.409 1.00 . A A . 33 LEU CA 1 1 8 5665 1 1 33 LEU CB C -3.563 3.905 4.362 1.00 . A A . 33 LEU CB 1 1 8 5666 1 1 33 LEU CD1 C -1.685 2.331 3.764 1.00 . A A . 33 LEU CD1 1 1 8 5667 1 1 33 LEU CD2 C -1.533 3.764 5.852 1.00 . A A . 33 LEU CD2 1 1 8 5668 1 1 33 LEU CG C -2.458 2.996 4.905 1.00 . A A . 33 LEU CG 1 1 8 5669 1 1 33 LEU H H -5.708 3.013 5.286 1.00 . A A . 33 LEU H 1 1 8 5670 1 1 33 LEU HA H -3.754 4.848 6.256 1.00 . A A . 33 LEU HA 1 1 8 5671 1 1 33 LEU HB2 H -4.229 3.303 3.743 1.00 . A A . 33 LEU HB2 1 1 8 5672 1 1 33 LEU HB3 H -3.106 4.649 3.709 1.00 . A A . 33 LEU HB3 1 1 8 5673 1 1 33 LEU HD11 H -0.661 2.705 3.752 1.00 . A A . 33 LEU HD11 1 1 8 5674 1 1 33 LEU HD12 H -1.676 1.251 3.913 1.00 . A A . 33 LEU HD12 1 1 8 5675 1 1 33 LEU HD13 H -2.168 2.563 2.815 1.00 . A A . 33 LEU HD13 1 1 8 5676 1 1 33 LEU HD21 H -0.613 3.198 5.999 1.00 . A A . 33 LEU HD21 1 1 8 5677 1 1 33 LEU HD22 H -1.296 4.736 5.419 1.00 . A A . 33 LEU HD22 1 1 8 5678 1 1 33 LEU HD23 H -2.031 3.905 6.811 1.00 . A A . 33 LEU HD23 1 1 8 5679 1 1 33 LEU HG H -2.924 2.200 5.485 1.00 . A A . 33 LEU HG 1 1 8 5680 1 1 33 LEU N N -5.476 3.776 5.889 1.00 . A A . 33 LEU N 1 1 8 5681 1 1 33 LEU O O -6.160 6.000 4.501 1.00 . A A . 33 LEU O 1 1 8 5682 1 1 34 PRO C C -4.645 8.409 2.993 1.00 . A A . 34 PRO C 1 1 8 5683 1 1 34 PRO CA C -4.589 8.335 4.520 1.00 . A A . 34 PRO CA 1 1 8 5684 1 1 34 PRO CB C -3.584 9.301 5.125 1.00 . A A . 34 PRO CB 1 1 8 5685 1 1 34 PRO CD C -2.779 7.001 5.440 1.00 . A A . 34 PRO CD 1 1 8 5686 1 1 34 PRO CG C -2.370 8.464 5.493 1.00 . A A . 34 PRO CG 1 1 8 5687 1 1 34 PRO HA H -5.519 8.520 4.837 1.00 . A A . 34 PRO HA 1 1 8 5688 1 1 34 PRO HB2 H -3.318 10.084 4.414 1.00 . A A . 34 PRO HB2 1 1 8 5689 1 1 34 PRO HB3 H -3.998 9.797 6.003 1.00 . A A . 34 PRO HB3 1 1 8 5690 1 1 34 PRO HD2 H -2.135 6.434 4.769 1.00 . A A . 34 PRO HD2 1 1 8 5691 1 1 34 PRO HD3 H -2.707 6.534 6.422 1.00 . A A . 34 PRO HD3 1 1 8 5692 1 1 34 PRO HG2 H -1.549 8.656 4.802 1.00 . A A . 34 PRO HG2 1 1 8 5693 1 1 34 PRO HG3 H -2.014 8.725 6.490 1.00 . A A . 34 PRO HG3 1 1 8 5694 1 1 34 PRO N N -4.158 7.019 4.962 1.00 . A A . 34 PRO N 1 1 8 5695 1 1 34 PRO O O -4.021 7.603 2.305 1.00 . A A . 34 PRO O 1 1 8 5696 1 1 35 ALA C C -4.261 10.186 0.511 1.00 . A A . 35 ALA C 1 1 8 5697 1 1 35 ALA CA C -5.545 9.574 1.074 1.00 . A A . 35 ALA CA 1 1 8 5698 1 1 35 ALA CB C -6.775 10.441 0.796 1.00 . A A . 35 ALA CB 1 1 8 5699 1 1 35 ALA H H -5.904 10.036 3.073 1.00 . A A . 35 ALA H 1 1 8 5700 1 1 35 ALA HA H -5.698 8.593 0.623 1.00 . A A . 35 ALA HA 1 1 8 5701 1 1 35 ALA HB1 H -6.916 10.538 -0.281 1.00 . A A . 35 ALA HB1 1 1 8 5702 1 1 35 ALA HB2 H -7.655 9.975 1.237 1.00 . A A . 35 ALA HB2 1 1 8 5703 1 1 35 ALA HB3 H -6.629 11.429 1.233 1.00 . A A . 35 ALA HB3 1 1 8 5704 1 1 35 ALA N N -5.399 9.384 2.507 1.00 . A A . 35 ALA N 1 1 8 5705 1 1 35 ALA O O -3.919 9.963 -0.649 1.00 . A A . 35 ALA O 1 1 8 5706 1 1 36 ASP C C -1.185 10.610 1.134 1.00 . A A . 36 ASP C 1 1 8 5707 1 1 36 ASP CA C -2.345 11.592 0.962 1.00 . A A . 36 ASP CA 1 1 8 5708 1 1 36 ASP CB C -2.059 12.818 1.832 1.00 . A A . 36 ASP CB 1 1 8 5709 1 1 36 ASP CG C -3.217 13.812 1.949 1.00 . A A . 36 ASP CG 1 1 8 5710 1 1 36 ASP H H -3.870 11.123 2.302 1.00 . A A . 36 ASP H 1 1 8 5711 1 1 36 ASP HA H -2.495 11.883 -0.078 1.00 . A A . 36 ASP HA 1 1 8 5712 1 1 36 ASP HB2 H -1.787 12.480 2.832 1.00 . A A . 36 ASP HB2 1 1 8 5713 1 1 36 ASP HB3 H -1.193 13.339 1.425 1.00 . A A . 36 ASP HB3 1 1 8 5714 1 1 36 ASP HD2 H -3.276 14.851 0.380 1.00 . A A . 36 ASP HD2 1 1 8 5715 1 1 36 ASP N N -3.584 10.946 1.360 1.00 . A A . 36 ASP N 1 1 8 5716 1 1 36 ASP O O -0.021 11.000 1.064 1.00 . A A . 36 ASP O 1 1 8 5717 1 1 36 ASP OD1 O -4.242 13.525 2.585 1.00 . A A . 36 ASP OD1 1 1 8 5718 1 1 36 ASP OD2 O -3.033 14.937 1.346 1.00 . A A . 36 ASP OD2 1 1 8 5719 1 1 37 TRP C C -0.001 7.933 0.160 1.00 . A A . 37 TRP C 1 1 8 5720 1 1 37 TRP CA C -0.546 8.312 1.538 1.00 . A A . 37 TRP CA 1 1 8 5721 1 1 37 TRP CB C -1.132 7.120 2.298 1.00 . A A . 37 TRP CB 1 1 8 5722 1 1 37 TRP CD1 C 0.773 5.790 3.423 1.00 . A A . 37 TRP CD1 1 1 8 5723 1 1 37 TRP CD2 C -0.053 4.787 1.629 1.00 . A A . 37 TRP CD2 1 1 8 5724 1 1 37 TRP CE2 C 0.947 3.979 2.130 1.00 . A A . 37 TRP CE2 1 1 8 5725 1 1 37 TRP CE3 C -0.781 4.426 0.481 1.00 . A A . 37 TRP CE3 1 1 8 5726 1 1 37 TRP CG C -0.157 5.954 2.472 1.00 . A A . 37 TRP CG 1 1 8 5727 1 1 37 TRP CH2 C 0.600 2.379 0.402 1.00 . A A . 37 TRP CH2 1 1 8 5728 1 1 37 TRP CZ2 C 1.311 2.759 1.547 1.00 . A A . 37 TRP CZ2 1 1 8 5729 1 1 37 TRP CZ3 C -0.405 3.204 -0.089 1.00 . A A . 37 TRP CZ3 1 1 8 5730 1 1 37 TRP H H -2.493 9.044 1.411 1.00 . A A . 37 TRP H 1 1 8 5731 1 1 37 TRP HA H 0.253 8.721 2.156 1.00 . A A . 37 TRP HA 1 1 8 5732 1 1 37 TRP HB2 H -1.460 7.456 3.282 1.00 . A A . 37 TRP HB2 1 1 8 5733 1 1 37 TRP HB3 H -2.017 6.765 1.771 1.00 . A A . 37 TRP HB3 1 1 8 5734 1 1 37 TRP HD1 H 0.959 6.502 4.228 1.00 . A A . 37 TRP HD1 1 1 8 5735 1 1 37 TRP HE1 H 2.271 4.237 3.889 1.00 . A A . 37 TRP HE1 1 1 8 5736 1 1 37 TRP HE3 H -1.575 5.047 0.067 1.00 . A A . 37 TRP HE3 1 1 8 5737 1 1 37 TRP HH2 H 0.833 1.441 -0.101 1.00 . A A . 37 TRP HH2 1 1 8 5738 1 1 37 TRP HZ2 H 2.106 2.139 1.962 1.00 . A A . 37 TRP HZ2 1 1 8 5739 1 1 37 TRP HZ3 H -0.938 2.877 -0.982 1.00 . A A . 37 TRP HZ3 1 1 8 5740 1 1 37 TRP N N -1.543 9.353 1.356 1.00 . A A . 37 TRP N 1 1 8 5741 1 1 37 TRP NE1 N 1.466 4.609 3.255 1.00 . A A . 37 TRP NE1 1 1 8 5742 1 1 37 TRP O O 1.206 7.982 -0.069 1.00 . A A . 37 TRP O 1 1 8 5743 1 1 38 VAL C C 0.700 6.286 -2.017 1.00 . A A . 38 VAL C 1 1 8 5744 1 1 38 VAL CA C -0.544 7.175 -2.072 1.00 . A A . 38 VAL CA 1 1 8 5745 1 1 38 VAL CB C -0.350 8.421 -2.939 1.00 . A A . 38 VAL CB 1 1 8 5746 1 1 38 VAL CG1 C -1.652 9.216 -3.056 1.00 . A A . 38 VAL CG1 1 1 8 5747 1 1 38 VAL CG2 C 0.781 9.297 -2.396 1.00 . A A . 38 VAL CG2 1 1 8 5748 1 1 38 VAL H H -1.898 7.526 -0.528 1.00 . A A . 38 VAL H 1 1 8 5749 1 1 38 VAL HA H -1.370 6.599 -2.489 1.00 . A A . 38 VAL HA 1 1 8 5750 1 1 38 VAL HB H -0.067 8.092 -3.939 1.00 . A A . 38 VAL HB 1 1 8 5751 1 1 38 VAL HG11 H -1.692 9.705 -4.029 1.00 . A A . 38 VAL HG11 1 1 8 5752 1 1 38 VAL HG12 H -2.501 8.540 -2.953 1.00 . A A . 38 VAL HG12 1 1 8 5753 1 1 38 VAL HG13 H -1.689 9.969 -2.269 1.00 . A A . 38 VAL HG13 1 1 8 5754 1 1 38 VAL HG21 H 1.674 8.688 -2.250 1.00 . A A . 38 VAL HG21 1 1 8 5755 1 1 38 VAL HG22 H 0.997 10.094 -3.107 1.00 . A A . 38 VAL HG22 1 1 8 5756 1 1 38 VAL HG23 H 0.478 9.731 -1.443 1.00 . A A . 38 VAL HG23 1 1 8 5757 1 1 38 VAL N N -0.918 7.563 -0.722 1.00 . A A . 38 VAL N 1 1 8 5758 1 1 38 VAL O O 1.067 5.792 -0.952 1.00 . A A . 38 VAL O 1 1 8 5759 1 1 39 CYS C C 3.729 6.208 -3.236 1.00 . A A . 39 CYS C 1 1 8 5760 1 1 39 CYS CA C 2.508 5.287 -3.274 1.00 . A A . 39 CYS CA 1 1 8 5761 1 1 39 CYS CB C 2.492 4.412 -4.529 1.00 . A A . 39 CYS CB 1 1 8 5762 1 1 39 CYS H H 1.008 6.514 -4.039 1.00 . A A . 39 CYS H 1 1 8 5763 1 1 39 CYS HA H 2.500 4.619 -2.413 1.00 . A A . 39 CYS HA 1 1 8 5764 1 1 39 CYS HB2 H 1.763 3.614 -4.390 1.00 . A A . 39 CYS HB2 1 1 8 5765 1 1 39 CYS HB3 H 2.149 5.014 -5.371 1.00 . A A . 39 CYS HB3 1 1 8 5766 1 1 39 CYS N N 1.313 6.108 -3.177 1.00 . A A . 39 CYS N 1 1 8 5767 1 1 39 CYS O O 3.974 6.960 -4.178 1.00 . A A . 39 CYS O 1 1 8 5768 1 1 39 CYS SG S 4.105 3.664 -4.963 1.00 . A A . 39 CYS SG 1 1 8 5769 1 1 40 PRO C C 6.827 6.408 -2.789 1.00 . A A . 40 PRO C 1 1 8 5770 1 1 40 PRO CA C 5.672 6.933 -1.934 1.00 . A A . 40 PRO CA 1 1 8 5771 1 1 40 PRO CB C 5.967 6.887 -0.443 1.00 . A A . 40 PRO CB 1 1 8 5772 1 1 40 PRO CD C 4.223 5.238 -0.971 1.00 . A A . 40 PRO CD 1 1 8 5773 1 1 40 PRO CG C 5.215 5.680 0.093 1.00 . A A . 40 PRO CG 1 1 8 5774 1 1 40 PRO HA H 5.501 7.867 -2.249 1.00 . A A . 40 PRO HA 1 1 8 5775 1 1 40 PRO HB2 H 7.037 6.793 -0.260 1.00 . A A . 40 PRO HB2 1 1 8 5776 1 1 40 PRO HB3 H 5.638 7.802 0.049 1.00 . A A . 40 PRO HB3 1 1 8 5777 1 1 40 PRO HD2 H 4.368 4.192 -1.238 1.00 . A A . 40 PRO HD2 1 1 8 5778 1 1 40 PRO HD3 H 3.196 5.338 -0.620 1.00 . A A . 40 PRO HD3 1 1 8 5779 1 1 40 PRO HG2 H 5.908 4.872 0.328 1.00 . A A . 40 PRO HG2 1 1 8 5780 1 1 40 PRO HG3 H 4.696 5.933 1.017 1.00 . A A . 40 PRO HG3 1 1 8 5781 1 1 40 PRO N N 4.482 6.117 -2.107 1.00 . A A . 40 PRO N 1 1 8 5782 1 1 40 PRO O O 7.942 6.240 -2.297 1.00 . A A . 40 PRO O 1 1 8 5783 1 1 41 VAL C C 7.283 6.276 -6.362 1.00 . A A . 41 VAL C 1 1 8 5784 1 1 41 VAL CA C 7.519 5.660 -4.982 1.00 . A A . 41 VAL CA 1 1 8 5785 1 1 41 VAL CB C 7.495 4.130 -4.998 1.00 . A A . 41 VAL CB 1 1 8 5786 1 1 41 VAL CG1 C 8.786 3.567 -5.596 1.00 . A A . 41 VAL CG1 1 1 8 5787 1 1 41 VAL CG2 C 7.251 3.570 -3.595 1.00 . A A . 41 VAL CG2 1 1 8 5788 1 1 41 VAL H H 5.611 6.302 -4.446 1.00 . A A . 41 VAL H 1 1 8 5789 1 1 41 VAL HA H 8.496 5.978 -4.618 1.00 . A A . 41 VAL HA 1 1 8 5790 1 1 41 VAL HB H 6.666 3.815 -5.633 1.00 . A A . 41 VAL HB 1 1 8 5791 1 1 41 VAL HG11 H 8.591 2.581 -6.017 1.00 . A A . 41 VAL HG11 1 1 8 5792 1 1 41 VAL HG12 H 9.143 4.234 -6.382 1.00 . A A . 41 VAL HG12 1 1 8 5793 1 1 41 VAL HG13 H 9.543 3.487 -4.816 1.00 . A A . 41 VAL HG13 1 1 8 5794 1 1 41 VAL HG21 H 8.110 3.790 -2.962 1.00 . A A . 41 VAL HG21 1 1 8 5795 1 1 41 VAL HG22 H 6.359 4.031 -3.171 1.00 . A A . 41 VAL HG22 1 1 8 5796 1 1 41 VAL HG23 H 7.110 2.491 -3.654 1.00 . A A . 41 VAL HG23 1 1 8 5797 1 1 41 VAL N N 6.520 6.163 -4.054 1.00 . A A . 41 VAL N 1 1 8 5798 1 1 41 VAL O O 8.170 6.923 -6.917 1.00 . A A . 41 VAL O 1 1 8 5799 1 1 42 CYS C C 4.751 7.747 -7.977 1.00 . A A . 42 CYS C 1 1 8 5800 1 1 42 CYS CA C 5.719 6.579 -8.182 1.00 . A A . 42 CYS CA 1 1 8 5801 1 1 42 CYS CB C 5.122 5.495 -9.082 1.00 . A A . 42 CYS CB 1 1 8 5802 1 1 42 CYS H H 5.367 5.526 -6.419 1.00 . A A . 42 CYS H 1 1 8 5803 1 1 42 CYS HA H 6.642 6.919 -8.651 1.00 . A A . 42 CYS HA 1 1 8 5804 1 1 42 CYS HB2 H 5.147 5.845 -10.114 1.00 . A A . 42 CYS HB2 1 1 8 5805 1 1 42 CYS HB3 H 5.756 4.610 -9.030 1.00 . A A . 42 CYS HB3 1 1 8 5806 1 1 42 CYS N N 6.083 6.053 -6.877 1.00 . A A . 42 CYS N 1 1 8 5807 1 1 42 CYS O O 4.946 8.825 -8.536 1.00 . A A . 42 CYS O 1 1 8 5808 1 1 42 CYS SG S 3.406 5.013 -8.668 1.00 . A A . 42 CYS SG 1 1 8 5809 1 1 43 GLY C C 1.331 7.897 -6.814 1.00 . A A . 43 GLY C 1 1 8 5810 1 1 43 GLY CA C 2.731 8.509 -6.887 1.00 . A A . 43 GLY CA 1 1 8 5811 1 1 43 GLY H H 3.578 6.613 -6.722 1.00 . A A . 43 GLY H 1 1 8 5812 1 1 43 GLY HA2 H 2.967 9.000 -5.943 1.00 . A A . 43 GLY HA2 1 1 8 5813 1 1 43 GLY HA3 H 2.757 9.276 -7.661 1.00 . A A . 43 GLY HA3 1 1 8 5814 1 1 43 GLY N N 3.729 7.492 -7.173 1.00 . A A . 43 GLY N 1 1 8 5815 1 1 43 GLY O O 0.519 8.295 -5.980 1.00 . A A . 43 GLY O 1 1 8 5816 1 1 44 ALA C C -0.868 6.369 -6.373 1.00 . A A . 44 ALA C 1 1 8 5817 1 1 44 ALA CA C -0.197 6.270 -7.744 1.00 . A A . 44 ALA CA 1 1 8 5818 1 1 44 ALA CB C -0.003 4.820 -8.194 1.00 . A A . 44 ALA CB 1 1 8 5819 1 1 44 ALA H H 1.757 6.623 -8.373 1.00 . A A . 44 ALA H 1 1 8 5820 1 1 44 ALA HA H -0.814 6.786 -8.480 1.00 . A A . 44 ALA HA 1 1 8 5821 1 1 44 ALA HB1 H -0.944 4.280 -8.097 1.00 . A A . 44 ALA HB1 1 1 8 5822 1 1 44 ALA HB2 H 0.320 4.803 -9.235 1.00 . A A . 44 ALA HB2 1 1 8 5823 1 1 44 ALA HB3 H 0.755 4.345 -7.571 1.00 . A A . 44 ALA HB3 1 1 8 5824 1 1 44 ALA N N 1.091 6.940 -7.698 1.00 . A A . 44 ALA N 1 1 8 5825 1 1 44 ALA O O -0.221 6.174 -5.345 1.00 . A A . 44 ALA O 1 1 8 5826 1 1 45 PRO C C -3.259 5.435 -4.570 1.00 . A A . 45 PRO C 1 1 8 5827 1 1 45 PRO CA C -2.958 6.808 -5.174 1.00 . A A . 45 PRO CA 1 1 8 5828 1 1 45 PRO CB C -4.212 7.571 -5.570 1.00 . A A . 45 PRO CB 1 1 8 5829 1 1 45 PRO CD C -2.991 6.919 -7.600 1.00 . A A . 45 PRO CD 1 1 8 5830 1 1 45 PRO CG C -4.322 7.436 -7.080 1.00 . A A . 45 PRO CG 1 1 8 5831 1 1 45 PRO HA H -2.427 7.300 -4.484 1.00 . A A . 45 PRO HA 1 1 8 5832 1 1 45 PRO HB2 H -5.092 7.160 -5.076 1.00 . A A . 45 PRO HB2 1 1 8 5833 1 1 45 PRO HB3 H -4.141 8.618 -5.276 1.00 . A A . 45 PRO HB3 1 1 8 5834 1 1 45 PRO HD2 H -3.121 6.004 -8.178 1.00 . A A . 45 PRO HD2 1 1 8 5835 1 1 45 PRO HD3 H -2.513 7.645 -8.257 1.00 . A A . 45 PRO HD3 1 1 8 5836 1 1 45 PRO HG2 H -5.128 6.751 -7.344 1.00 . A A . 45 PRO HG2 1 1 8 5837 1 1 45 PRO HG3 H -4.561 8.398 -7.533 1.00 . A A . 45 PRO HG3 1 1 8 5838 1 1 45 PRO N N -2.192 6.681 -6.402 1.00 . A A . 45 PRO N 1 1 8 5839 1 1 45 PRO O O -3.237 4.426 -5.273 1.00 . A A . 45 PRO O 1 1 8 5840 1 1 46 LYS C C -5.064 3.550 -3.207 1.00 . A A . 46 LYS C 1 1 8 5841 1 1 46 LYS CA C -3.840 4.209 -2.568 1.00 . A A . 46 LYS CA 1 1 8 5842 1 1 46 LYS CB C -3.996 4.475 -1.069 1.00 . A A . 46 LYS CB 1 1 8 5843 1 1 46 LYS CD C -5.540 5.523 0.627 1.00 . A A . 46 LYS CD 1 1 8 5844 1 1 46 LYS CE C -5.483 4.526 1.787 1.00 . A A . 46 LYS CE 1 1 8 5845 1 1 46 LYS CG C -5.449 4.803 -0.720 1.00 . A A . 46 LYS CG 1 1 8 5846 1 1 46 LYS H H -3.551 6.267 -2.710 1.00 . A A . 46 LYS H 1 1 8 5847 1 1 46 LYS HA H -2.986 3.543 -2.690 1.00 . A A . 46 LYS HA 1 1 8 5848 1 1 46 LYS HB2 H -3.671 3.601 -0.505 1.00 . A A . 46 LYS HB2 1 1 8 5849 1 1 46 LYS HB3 H -3.352 5.302 -0.774 1.00 . A A . 46 LYS HB3 1 1 8 5850 1 1 46 LYS HD2 H -4.722 6.238 0.717 1.00 . A A . 46 LYS HD2 1 1 8 5851 1 1 46 LYS HD3 H -6.468 6.092 0.678 1.00 . A A . 46 LYS HD3 1 1 8 5852 1 1 46 LYS HE2 H -4.831 3.693 1.525 1.00 . A A . 46 LYS HE2 1 1 8 5853 1 1 46 LYS HE3 H -5.051 5.006 2.665 1.00 . A A . 46 LYS HE3 1 1 8 5854 1 1 46 LYS HG2 H -5.883 5.428 -1.500 1.00 . A A . 46 LYS HG2 1 1 8 5855 1 1 46 LYS HG3 H -6.035 3.884 -0.685 1.00 . A A . 46 LYS HG3 1 1 8 5856 1 1 46 LYS HZ1 H -6.809 3.120 2.564 1.00 . A A . 46 LYS HZ1 1 1 8 5857 1 1 46 LYS HZ3 H -7.407 3.912 1.273 1.00 . A A . 46 LYS HZ3 1 1 8 5858 1 1 46 LYS N N -3.534 5.442 -3.274 1.00 . A A . 46 LYS N 1 1 8 5859 1 1 46 LYS NZ N -6.837 4.023 2.105 1.00 . A A . 46 LYS NZ 1 1 8 5860 1 1 46 LYS O O -5.302 2.358 -3.017 1.00 . A A . 46 LYS O 1 1 8 5861 1 1 47 SER C C -6.612 3.022 -5.836 1.00 . A A . 47 SER C 1 1 8 5862 1 1 47 SER CA C -7.001 3.864 -4.620 1.00 . A A . 47 SER CA 1 1 8 5863 1 1 47 SER CB C -7.909 5.020 -5.044 1.00 . A A . 47 SER CB 1 1 8 5864 1 1 47 SER H H -5.607 5.323 -4.101 1.00 . A A . 47 SER H 1 1 8 5865 1 1 47 SER HA H -7.516 3.252 -3.879 1.00 . A A . 47 SER HA 1 1 8 5866 1 1 47 SER HB2 H -7.346 5.953 -5.015 1.00 . A A . 47 SER HB2 1 1 8 5867 1 1 47 SER HB3 H -8.227 4.872 -6.076 1.00 . A A . 47 SER HB3 1 1 8 5868 1 1 47 SER HG H -8.938 4.573 -3.387 1.00 . A A . 47 SER HG 1 1 8 5869 1 1 47 SER N N -5.808 4.354 -3.952 1.00 . A A . 47 SER N 1 1 8 5870 1 1 47 SER O O -7.438 2.291 -6.380 1.00 . A A . 47 SER O 1 1 8 5871 1 1 47 SER OG O -9.057 5.133 -4.207 1.00 . A A . 47 SER OG 1 1 8 5872 1 1 48 GLU C C -4.043 1.194 -6.898 1.00 . A A . 48 GLU C 1 1 8 5873 1 1 48 GLU CA C -4.843 2.411 -7.368 1.00 . A A . 48 GLU CA 1 1 8 5874 1 1 48 GLU CB C -3.995 3.309 -8.271 1.00 . A A . 48 GLU CB 1 1 8 5875 1 1 48 GLU CD C -4.368 4.457 -10.485 1.00 . A A . 48 GLU CD 1 1 8 5876 1 1 48 GLU CG C -4.874 4.289 -9.050 1.00 . A A . 48 GLU CG 1 1 8 5877 1 1 48 GLU H H -4.686 3.747 -5.778 1.00 . A A . 48 GLU H 1 1 8 5878 1 1 48 GLU HA H -5.725 2.083 -7.918 1.00 . A A . 48 GLU HA 1 1 8 5879 1 1 48 GLU HB2 H -3.275 3.862 -7.666 1.00 . A A . 48 GLU HB2 1 1 8 5880 1 1 48 GLU HB3 H -3.422 2.696 -8.966 1.00 . A A . 48 GLU HB3 1 1 8 5881 1 1 48 GLU HE2 H -2.640 3.830 -10.892 1.00 . A A . 48 GLU HE2 1 1 8 5882 1 1 48 GLU HG2 H -5.902 3.930 -9.063 1.00 . A A . 48 GLU HG2 1 1 8 5883 1 1 48 GLU HG3 H -4.880 5.256 -8.548 1.00 . A A . 48 GLU HG3 1 1 8 5884 1 1 48 GLU N N -5.352 3.151 -6.227 1.00 . A A . 48 GLU N 1 1 8 5885 1 1 48 GLU O O -3.096 0.775 -7.562 1.00 . A A . 48 GLU O 1 1 8 5886 1 1 48 GLU OE1 O -5.163 4.389 -11.434 1.00 . A A . 48 GLU OE1 1 1 8 5887 1 1 48 GLU OE2 O -3.100 4.667 -10.595 1.00 . A A . 48 GLU OE2 1 1 8 5888 1 1 49 PHE C C -4.710 -1.717 -5.190 1.00 . A A . 49 PHE C 1 1 8 5889 1 1 49 PHE CA C -3.786 -0.498 -5.189 1.00 . A A . 49 PHE CA 1 1 8 5890 1 1 49 PHE CB C -3.427 -0.146 -3.744 1.00 . A A . 49 PHE CB 1 1 8 5891 1 1 49 PHE CD1 C -1.712 1.632 -4.154 1.00 . A A . 49 PHE CD1 1 1 8 5892 1 1 49 PHE CD2 C -1.090 -0.227 -2.848 1.00 . A A . 49 PHE CD2 1 1 8 5893 1 1 49 PHE CE1 C -0.410 2.178 -3.998 1.00 . A A . 49 PHE CE1 1 1 8 5894 1 1 49 PHE CE2 C 0.212 0.318 -2.692 1.00 . A A . 49 PHE CE2 1 1 8 5895 1 1 49 PHE CG C -2.025 0.442 -3.576 1.00 . A A . 49 PHE CG 1 1 8 5896 1 1 49 PHE CZ C 0.524 1.509 -3.270 1.00 . A A . 49 PHE CZ 1 1 8 5897 1 1 49 PHE H H -5.223 1.009 -5.222 1.00 . A A . 49 PHE H 1 1 8 5898 1 1 49 PHE HA H -2.914 -0.705 -5.809 1.00 . A A . 49 PHE HA 1 1 8 5899 1 1 49 PHE HB2 H -4.157 0.568 -3.363 1.00 . A A . 49 PHE HB2 1 1 8 5900 1 1 49 PHE HB3 H -3.510 -1.043 -3.131 1.00 . A A . 49 PHE HB3 1 1 8 5901 1 1 49 PHE HD1 H -2.461 2.168 -4.737 1.00 . A A . 49 PHE HD1 1 1 8 5902 1 1 49 PHE HD2 H -1.340 -1.181 -2.385 1.00 . A A . 49 PHE HD2 1 1 8 5903 1 1 49 PHE HE1 H -0.160 3.132 -4.461 1.00 . A A . 49 PHE HE1 1 1 8 5904 1 1 49 PHE HE2 H 0.961 -0.218 -2.109 1.00 . A A . 49 PHE HE2 1 1 8 5905 1 1 49 PHE HZ H 1.523 1.928 -3.151 1.00 . A A . 49 PHE HZ 1 1 8 5906 1 1 49 PHE N N -4.452 0.662 -5.756 1.00 . A A . 49 PHE N 1 1 8 5907 1 1 49 PHE O O -5.921 -1.582 -5.024 1.00 . A A . 49 PHE O 1 1 8 5908 1 1 50 GLU C C -3.967 -5.291 -4.980 1.00 . A A . 50 GLU C 1 1 8 5909 1 1 50 GLU CA C -4.857 -4.121 -5.404 1.00 . A A . 50 GLU CA 1 1 8 5910 1 1 50 GLU CB C -5.463 -4.367 -6.788 1.00 . A A . 50 GLU CB 1 1 8 5911 1 1 50 GLU CD C -6.953 -6.006 -7.994 1.00 . A A . 50 GLU CD 1 1 8 5912 1 1 50 GLU CG C -5.825 -5.842 -6.974 1.00 . A A . 50 GLU CG 1 1 8 5913 1 1 50 GLU H H -3.118 -2.981 -5.514 1.00 . A A . 50 GLU H 1 1 8 5914 1 1 50 GLU HA H -5.662 -3.987 -4.681 1.00 . A A . 50 GLU HA 1 1 8 5915 1 1 50 GLU HB2 H -6.354 -3.752 -6.913 1.00 . A A . 50 GLU HB2 1 1 8 5916 1 1 50 GLU HB3 H -4.755 -4.063 -7.558 1.00 . A A . 50 GLU HB3 1 1 8 5917 1 1 50 GLU HE2 H -8.781 -5.555 -7.955 1.00 . A A . 50 GLU HE2 1 1 8 5918 1 1 50 GLU HG2 H -4.947 -6.397 -7.306 1.00 . A A . 50 GLU HG2 1 1 8 5919 1 1 50 GLU HG3 H -6.128 -6.269 -6.018 1.00 . A A . 50 GLU HG3 1 1 8 5920 1 1 50 GLU N N -4.104 -2.880 -5.379 1.00 . A A . 50 GLU N 1 1 8 5921 1 1 50 GLU O O -2.777 -5.314 -5.289 1.00 . A A . 50 GLU O 1 1 8 5922 1 1 50 GLU OE1 O -6.699 -5.993 -9.207 1.00 . A A . 50 GLU OE1 1 1 8 5923 1 1 50 GLU OE2 O -8.130 -6.152 -7.486 1.00 . A A . 50 GLU OE2 1 1 8 5924 1 1 51 ALA C C -3.222 -8.120 -5.002 1.00 . A A . 51 ALA C 1 1 8 5925 1 1 51 ALA CA C -3.856 -7.404 -3.808 1.00 . A A . 51 ALA CA 1 1 8 5926 1 1 51 ALA CB C -4.807 -8.310 -3.023 1.00 . A A . 51 ALA CB 1 1 8 5927 1 1 51 ALA H H -5.547 -6.208 -4.031 1.00 . A A . 51 ALA H 1 1 8 5928 1 1 51 ALA HA H -3.067 -7.060 -3.139 1.00 . A A . 51 ALA HA 1 1 8 5929 1 1 51 ALA HB1 H -4.572 -8.250 -1.960 1.00 . A A . 51 ALA HB1 1 1 8 5930 1 1 51 ALA HB2 H -5.835 -7.986 -3.186 1.00 . A A . 51 ALA HB2 1 1 8 5931 1 1 51 ALA HB3 H -4.693 -9.339 -3.363 1.00 . A A . 51 ALA HB3 1 1 8 5932 1 1 51 ALA N N -4.579 -6.234 -4.278 1.00 . A A . 51 ALA N 1 1 8 5933 1 1 51 ALA O O -3.919 -8.519 -5.933 1.00 . A A . 51 ALA O 1 1 8 5934 1 1 52 ALA C C 0.201 -9.355 -5.472 1.00 . A A . 52 ALA C 1 1 8 5935 1 1 52 ALA CA C -1.169 -8.922 -5.999 1.00 . A A . 52 ALA CA 1 1 8 5936 1 1 52 ALA CB C -1.061 -7.985 -7.204 1.00 . A A . 52 ALA CB 1 1 8 5937 1 1 52 ALA H H -1.346 -7.933 -4.174 1.00 . A A . 52 ALA H 1 1 8 5938 1 1 52 ALA HA H -1.733 -9.807 -6.292 1.00 . A A . 52 ALA HA 1 1 8 5939 1 1 52 ALA HB1 H -1.220 -6.956 -6.879 1.00 . A A . 52 ALA HB1 1 1 8 5940 1 1 52 ALA HB2 H -0.070 -8.077 -7.647 1.00 . A A . 52 ALA HB2 1 1 8 5941 1 1 52 ALA HB3 H -1.816 -8.254 -7.942 1.00 . A A . 52 ALA HB3 1 1 8 5942 1 1 52 ALA N N -1.906 -8.261 -4.935 1.00 . A A . 52 ALA N 1 1 8 5943 1 1 52 ALA O O 0.412 -10.529 -5.174 1.00 . A A . 52 ALA O 1 1 8 5944 2 2 1 NI NI NI 3.774 3.080 -7.274 1.00 . B A . 53 NI NI 1 1 9 5945 1 1 1 MET C C -3.602 -10.166 5.112 1.00 . A A . 1 MET C 1 1 9 5946 1 1 1 MET CA C -3.475 -10.046 6.632 1.00 . A A . 1 MET CA 1 1 9 5947 1 1 1 MET CB C -4.483 -9.018 7.150 1.00 . A A . 1 MET CB 1 1 9 5948 1 1 1 MET CE C -4.558 -7.509 10.687 1.00 . A A . 1 MET CE 1 1 9 5949 1 1 1 MET CG C -4.826 -9.277 8.618 1.00 . A A . 1 MET CG 1 1 9 5950 1 1 1 MET H1 H -1.710 -10.196 7.729 1.00 . A A . 1 MET H1 1 1 9 5951 1 1 1 MET HA H -3.628 -11.020 7.095 1.00 . A A . 1 MET HA 1 1 9 5952 1 1 1 MET HB2 H -4.073 -8.014 7.040 1.00 . A A . 1 MET HB2 1 1 9 5953 1 1 1 MET HB3 H -5.391 -9.059 6.548 1.00 . A A . 1 MET HB3 1 1 9 5954 1 1 1 MET HE1 H -3.757 -8.247 10.709 1.00 . A A . 1 MET HE1 1 1 9 5955 1 1 1 MET HE2 H -4.132 -6.513 10.571 1.00 . A A . 1 MET HE2 1 1 9 5956 1 1 1 MET HE3 H -5.122 -7.557 11.618 1.00 . A A . 1 MET HE3 1 1 9 5957 1 1 1 MET HG2 H -5.468 -10.154 8.701 1.00 . A A . 1 MET HG2 1 1 9 5958 1 1 1 MET HG3 H -3.917 -9.494 9.179 1.00 . A A . 1 MET HG3 1 1 9 5959 1 1 1 MET N N -2.132 -9.641 7.012 1.00 . A A . 1 MET N 1 1 9 5960 1 1 1 MET O O -3.865 -11.249 4.591 1.00 . A A . 1 MET O 1 1 9 5961 1 1 1 MET SD S -5.646 -7.853 9.314 1.00 . A A . 1 MET SD 1 1 9 5962 1 1 2 LYS C C -2.476 -8.007 2.447 1.00 . A A . 2 LYS C 1 1 9 5963 1 1 2 LYS CA C -3.501 -9.004 2.993 1.00 . A A . 2 LYS CA 1 1 9 5964 1 1 2 LYS CB C -4.937 -8.713 2.553 1.00 . A A . 2 LYS CB 1 1 9 5965 1 1 2 LYS CD C -7.035 -7.563 3.349 1.00 . A A . 2 LYS CD 1 1 9 5966 1 1 2 LYS CE C -7.635 -6.156 3.375 1.00 . A A . 2 LYS CE 1 1 9 5967 1 1 2 LYS CG C -5.507 -7.507 3.302 1.00 . A A . 2 LYS CG 1 1 9 5968 1 1 2 LYS H H -3.197 -8.162 4.874 1.00 . A A . 2 LYS H 1 1 9 5969 1 1 2 LYS HA H -3.246 -9.998 2.626 1.00 . A A . 2 LYS HA 1 1 9 5970 1 1 2 LYS HB2 H -4.961 -8.524 1.480 1.00 . A A . 2 LYS HB2 1 1 9 5971 1 1 2 LYS HB3 H -5.561 -9.588 2.736 1.00 . A A . 2 LYS HB3 1 1 9 5972 1 1 2 LYS HD2 H -7.410 -8.107 2.482 1.00 . A A . 2 LYS HD2 1 1 9 5973 1 1 2 LYS HD3 H -7.355 -8.115 4.233 1.00 . A A . 2 LYS HD3 1 1 9 5974 1 1 2 LYS HE2 H -6.837 -5.414 3.348 1.00 . A A . 2 LYS HE2 1 1 9 5975 1 1 2 LYS HE3 H -8.247 -5.999 2.487 1.00 . A A . 2 LYS HE3 1 1 9 5976 1 1 2 LYS HG2 H -5.108 -7.483 4.316 1.00 . A A . 2 LYS HG2 1 1 9 5977 1 1 2 LYS HG3 H -5.188 -6.587 2.812 1.00 . A A . 2 LYS HG3 1 1 9 5978 1 1 2 LYS HZ1 H -7.988 -6.304 5.424 1.00 . A A . 2 LYS HZ1 1 1 9 5979 1 1 2 LYS HZ3 H -9.342 -6.457 4.532 1.00 . A A . 2 LYS HZ3 1 1 9 5980 1 1 2 LYS N N -3.410 -9.038 4.443 1.00 . A A . 2 LYS N 1 1 9 5981 1 1 2 LYS NZ N -8.457 -5.965 4.591 1.00 . A A . 2 LYS NZ 1 1 9 5982 1 1 2 LYS O O -2.563 -6.811 2.718 1.00 . A A . 2 LYS O 1 1 9 5983 1 1 3 LYS C C -0.935 -7.248 -0.289 1.00 . A A . 3 LYS C 1 1 9 5984 1 1 3 LYS CA C -0.490 -7.710 1.099 1.00 . A A . 3 LYS CA 1 1 9 5985 1 1 3 LYS CB C 0.849 -8.451 1.101 1.00 . A A . 3 LYS CB 1 1 9 5986 1 1 3 LYS CD C 1.785 -7.547 3.261 1.00 . A A . 3 LYS CD 1 1 9 5987 1 1 3 LYS CE C 3.176 -7.142 2.769 1.00 . A A . 3 LYS CE 1 1 9 5988 1 1 3 LYS CG C 1.285 -8.793 2.527 1.00 . A A . 3 LYS CG 1 1 9 5989 1 1 3 LYS H H -1.466 -9.513 1.471 1.00 . A A . 3 LYS H 1 1 9 5990 1 1 3 LYS HA H -0.373 -6.833 1.735 1.00 . A A . 3 LYS HA 1 1 9 5991 1 1 3 LYS HB2 H 0.764 -9.365 0.513 1.00 . A A . 3 LYS HB2 1 1 9 5992 1 1 3 LYS HB3 H 1.610 -7.835 0.622 1.00 . A A . 3 LYS HB3 1 1 9 5993 1 1 3 LYS HD2 H 1.087 -6.725 3.107 1.00 . A A . 3 LYS HD2 1 1 9 5994 1 1 3 LYS HD3 H 1.817 -7.741 4.333 1.00 . A A . 3 LYS HD3 1 1 9 5995 1 1 3 LYS HE2 H 3.702 -6.599 3.554 1.00 . A A . 3 LYS HE2 1 1 9 5996 1 1 3 LYS HE3 H 3.764 -8.033 2.547 1.00 . A A . 3 LYS HE3 1 1 9 5997 1 1 3 LYS HG2 H 0.448 -9.229 3.072 1.00 . A A . 3 LYS HG2 1 1 9 5998 1 1 3 LYS HG3 H 2.074 -9.545 2.499 1.00 . A A . 3 LYS HG3 1 1 9 5999 1 1 3 LYS HZ1 H 2.107 -6.086 1.324 1.00 . A A . 3 LYS HZ1 1 1 9 6000 1 1 3 LYS HZ3 H 3.479 -6.745 0.745 1.00 . A A . 3 LYS HZ3 1 1 9 6001 1 1 3 LYS N N -1.530 -8.538 1.687 1.00 . A A . 3 LYS N 1 1 9 6002 1 1 3 LYS NZ N 3.071 -6.297 1.558 1.00 . A A . 3 LYS NZ 1 1 9 6003 1 1 3 LYS O O -1.265 -8.069 -1.145 1.00 . A A . 3 LYS O 1 1 9 6004 1 1 4 TYR C C -0.110 -4.905 -2.547 1.00 . A A . 4 TYR C 1 1 9 6005 1 1 4 TYR CA C -1.331 -5.355 -1.741 1.00 . A A . 4 TYR CA 1 1 9 6006 1 1 4 TYR CB C -2.179 -4.129 -1.396 1.00 . A A . 4 TYR CB 1 1 9 6007 1 1 4 TYR CD1 C -2.255 -3.789 1.101 1.00 . A A . 4 TYR CD1 1 1 9 6008 1 1 4 TYR CD2 C -4.165 -4.747 0.030 1.00 . A A . 4 TYR CD2 1 1 9 6009 1 1 4 TYR CE1 C -2.924 -3.879 2.374 1.00 . A A . 4 TYR CE1 1 1 9 6010 1 1 4 TYR CE2 C -4.833 -4.837 1.302 1.00 . A A . 4 TYR CE2 1 1 9 6011 1 1 4 TYR CG C -2.890 -4.225 -0.044 1.00 . A A . 4 TYR CG 1 1 9 6012 1 1 4 TYR CZ C -4.180 -4.398 2.411 1.00 . A A . 4 TYR CZ 1 1 9 6013 1 1 4 TYR H H -0.662 -5.275 0.230 1.00 . A A . 4 TYR H 1 1 9 6014 1 1 4 TYR HA H -1.869 -6.117 -2.305 1.00 . A A . 4 TYR HA 1 1 9 6015 1 1 4 TYR HB2 H -1.541 -3.246 -1.397 1.00 . A A . 4 TYR HB2 1 1 9 6016 1 1 4 TYR HB3 H -2.925 -3.984 -2.177 1.00 . A A . 4 TYR HB3 1 1 9 6017 1 1 4 TYR HD1 H -1.248 -3.376 1.043 1.00 . A A . 4 TYR HD1 1 1 9 6018 1 1 4 TYR HD2 H -4.666 -5.092 -0.875 1.00 . A A . 4 TYR HD2 1 1 9 6019 1 1 4 TYR HE1 H -2.434 -3.538 3.286 1.00 . A A . 4 TYR HE1 1 1 9 6020 1 1 4 TYR HE2 H -5.841 -5.248 1.375 1.00 . A A . 4 TYR HE2 1 1 9 6021 1 1 4 TYR HH H -4.469 -5.272 4.124 1.00 . A A . 4 TYR HH 1 1 9 6022 1 1 4 TYR N N -0.931 -5.936 -0.471 1.00 . A A . 4 TYR N 1 1 9 6023 1 1 4 TYR O O 1.023 -5.231 -2.197 1.00 . A A . 4 TYR O 1 1 9 6024 1 1 4 TYR OH O -4.811 -4.483 3.613 1.00 . A A . 4 TYR OH 1 1 9 6025 1 1 5 VAL C C 0.149 -2.494 -5.299 1.00 . A A . 5 VAL C 1 1 9 6026 1 1 5 VAL CA C 0.678 -3.664 -4.467 1.00 . A A . 5 VAL CA 1 1 9 6027 1 1 5 VAL CB C 1.236 -4.802 -5.324 1.00 . A A . 5 VAL CB 1 1 9 6028 1 1 5 VAL CG1 C 1.239 -4.422 -6.806 1.00 . A A . 5 VAL CG1 1 1 9 6029 1 1 5 VAL CG2 C 2.637 -5.203 -4.858 1.00 . A A . 5 VAL CG2 1 1 9 6030 1 1 5 VAL H H -1.308 -3.901 -3.886 1.00 . A A . 5 VAL H 1 1 9 6031 1 1 5 VAL HA H 1.479 -3.302 -3.823 1.00 . A A . 5 VAL HA 1 1 9 6032 1 1 5 VAL HB H 0.583 -5.666 -5.201 1.00 . A A . 5 VAL HB 1 1 9 6033 1 1 5 VAL HG11 H 1.786 -3.489 -6.940 1.00 . A A . 5 VAL HG11 1 1 9 6034 1 1 5 VAL HG12 H 1.721 -5.212 -7.382 1.00 . A A . 5 VAL HG12 1 1 9 6035 1 1 5 VAL HG13 H 0.213 -4.295 -7.150 1.00 . A A . 5 VAL HG13 1 1 9 6036 1 1 5 VAL HG21 H 2.567 -5.731 -3.907 1.00 . A A . 5 VAL HG21 1 1 9 6037 1 1 5 VAL HG22 H 3.095 -5.854 -5.602 1.00 . A A . 5 VAL HG22 1 1 9 6038 1 1 5 VAL HG23 H 3.248 -4.309 -4.732 1.00 . A A . 5 VAL HG23 1 1 9 6039 1 1 5 VAL N N -0.384 -4.162 -3.609 1.00 . A A . 5 VAL N 1 1 9 6040 1 1 5 VAL O O -1.056 -2.376 -5.515 1.00 . A A . 5 VAL O 1 1 9 6041 1 1 6 CYS C C 0.573 -0.953 -8.000 1.00 . A A . 6 CYS C 1 1 9 6042 1 1 6 CYS CA C 0.719 -0.501 -6.546 1.00 . A A . 6 CYS CA 1 1 9 6043 1 1 6 CYS CB C 1.741 0.628 -6.398 1.00 . A A . 6 CYS CB 1 1 9 6044 1 1 6 CYS H H 2.055 -1.761 -5.562 1.00 . A A . 6 CYS H 1 1 9 6045 1 1 6 CYS HA H -0.231 -0.132 -6.158 1.00 . A A . 6 CYS HA 1 1 9 6046 1 1 6 CYS HB2 H 1.608 1.094 -5.422 1.00 . A A . 6 CYS HB2 1 1 9 6047 1 1 6 CYS HB3 H 2.742 0.197 -6.412 1.00 . A A . 6 CYS HB3 1 1 9 6048 1 1 6 CYS N N 1.077 -1.658 -5.742 1.00 . A A . 6 CYS N 1 1 9 6049 1 1 6 CYS O O 1.265 -1.869 -8.441 1.00 . A A . 6 CYS O 1 1 9 6050 1 1 6 CYS SG S 1.643 1.925 -7.686 1.00 . A A . 6 CYS SG 1 1 9 6051 1 1 7 THR C C 0.509 0.005 -10.988 1.00 . A A . 7 THR C 1 1 9 6052 1 1 7 THR CA C -0.576 -0.609 -10.100 1.00 . A A . 7 THR CA 1 1 9 6053 1 1 7 THR CB C -1.988 -0.138 -10.453 1.00 . A A . 7 THR CB 1 1 9 6054 1 1 7 THR CG2 C -3.060 -0.795 -9.580 1.00 . A A . 7 THR CG2 1 1 9 6055 1 1 7 THR H H -0.889 0.456 -8.338 1.00 . A A . 7 THR H 1 1 9 6056 1 1 7 THR HA H -0.512 -1.691 -10.220 1.00 . A A . 7 THR HA 1 1 9 6057 1 1 7 THR HB H -2.198 -0.295 -11.511 1.00 . A A . 7 THR HB 1 1 9 6058 1 1 7 THR HG1 H -2.460 1.783 -10.754 1.00 . A A . 7 THR HG1 1 1 9 6059 1 1 7 THR HG21 H -3.956 -0.175 -9.576 1.00 . A A . 7 THR HG21 1 1 9 6060 1 1 7 THR HG22 H -3.301 -1.780 -9.981 1.00 . A A . 7 THR HG22 1 1 9 6061 1 1 7 THR HG23 H -2.685 -0.900 -8.562 1.00 . A A . 7 THR HG23 1 1 9 6062 1 1 7 THR N N -0.331 -0.288 -8.705 1.00 . A A . 7 THR N 1 1 9 6063 1 1 7 THR O O 1.182 -0.705 -11.733 1.00 . A A . 7 THR O 1 1 9 6064 1 1 7 THR OG1 O -2.007 1.230 -10.055 1.00 . A A . 7 THR OG1 1 1 9 6065 1 1 8 VAL C C 2.984 1.323 -11.546 1.00 . A A . 8 VAL C 1 1 9 6066 1 1 8 VAL CA C 1.635 2.036 -11.662 1.00 . A A . 8 VAL CA 1 1 9 6067 1 1 8 VAL CB C 1.693 3.499 -11.218 1.00 . A A . 8 VAL CB 1 1 9 6068 1 1 8 VAL CG1 C 2.666 4.298 -12.088 1.00 . A A . 8 VAL CG1 1 1 9 6069 1 1 8 VAL CG2 C 0.300 4.132 -11.232 1.00 . A A . 8 VAL CG2 1 1 9 6070 1 1 8 VAL H H 0.092 1.889 -10.270 1.00 . A A . 8 VAL H 1 1 9 6071 1 1 8 VAL HA H 1.313 2.011 -12.703 1.00 . A A . 8 VAL HA 1 1 9 6072 1 1 8 VAL HB H 2.062 3.524 -10.193 1.00 . A A . 8 VAL HB 1 1 9 6073 1 1 8 VAL HG11 H 3.117 3.637 -12.829 1.00 . A A . 8 VAL HG11 1 1 9 6074 1 1 8 VAL HG12 H 2.128 5.099 -12.595 1.00 . A A . 8 VAL HG12 1 1 9 6075 1 1 8 VAL HG13 H 3.448 4.726 -11.460 1.00 . A A . 8 VAL HG13 1 1 9 6076 1 1 8 VAL HG21 H 0.393 5.218 -11.213 1.00 . A A . 8 VAL HG21 1 1 9 6077 1 1 8 VAL HG22 H -0.228 3.828 -12.136 1.00 . A A . 8 VAL HG22 1 1 9 6078 1 1 8 VAL HG23 H -0.259 3.799 -10.357 1.00 . A A . 8 VAL HG23 1 1 9 6079 1 1 8 VAL N N 0.644 1.318 -10.879 1.00 . A A . 8 VAL N 1 1 9 6080 1 1 8 VAL O O 3.428 0.671 -12.490 1.00 . A A . 8 VAL O 1 1 9 6081 1 1 9 CYS C C 4.651 -0.456 -9.368 1.00 . A A . 9 CYS C 1 1 9 6082 1 1 9 CYS CA C 4.887 0.849 -10.131 1.00 . A A . 9 CYS CA 1 1 9 6083 1 1 9 CYS CB C 5.831 1.788 -9.377 1.00 . A A . 9 CYS CB 1 1 9 6084 1 1 9 CYS H H 3.230 2.003 -9.619 1.00 . A A . 9 CYS H 1 1 9 6085 1 1 9 CYS HA H 5.335 0.653 -11.105 1.00 . A A . 9 CYS HA 1 1 9 6086 1 1 9 CYS HB2 H 6.858 1.526 -9.628 1.00 . A A . 9 CYS HB2 1 1 9 6087 1 1 9 CYS HB3 H 5.666 2.806 -9.729 1.00 . A A . 9 CYS HB3 1 1 9 6088 1 1 9 CYS N N 3.598 1.471 -10.382 1.00 . A A . 9 CYS N 1 1 9 6089 1 1 9 CYS O O 3.519 -0.931 -9.279 1.00 . A A . 9 CYS O 1 1 9 6090 1 1 9 CYS SG S 5.647 1.761 -7.556 1.00 . A A . 9 CYS SG 1 1 9 6091 1 1 10 GLY C C 6.109 -2.031 -6.637 1.00 . A A . 10 GLY C 1 1 9 6092 1 1 10 GLY CA C 5.661 -2.240 -8.085 1.00 . A A . 10 GLY CA 1 1 9 6093 1 1 10 GLY H H 6.653 -0.606 -8.915 1.00 . A A . 10 GLY H 1 1 9 6094 1 1 10 GLY HA2 H 4.639 -2.619 -8.103 1.00 . A A . 10 GLY HA2 1 1 9 6095 1 1 10 GLY HA3 H 6.289 -2.995 -8.559 1.00 . A A . 10 GLY HA3 1 1 9 6096 1 1 10 GLY N N 5.736 -0.999 -8.837 1.00 . A A . 10 GLY N 1 1 9 6097 1 1 10 GLY O O 7.294 -2.140 -6.328 1.00 . A A . 10 GLY O 1 1 9 6098 1 1 11 TYR C C 4.335 -2.141 -3.499 1.00 . A A . 11 TYR C 1 1 9 6099 1 1 11 TYR CA C 5.415 -1.510 -4.380 1.00 . A A . 11 TYR CA 1 1 9 6100 1 1 11 TYR CB C 5.394 0.007 -4.183 1.00 . A A . 11 TYR CB 1 1 9 6101 1 1 11 TYR CD1 C 6.114 0.042 -1.766 1.00 . A A . 11 TYR CD1 1 1 9 6102 1 1 11 TYR CD2 C 4.136 1.238 -2.377 1.00 . A A . 11 TYR CD2 1 1 9 6103 1 1 11 TYR CE1 C 5.939 0.453 -0.397 1.00 . A A . 11 TYR CE1 1 1 9 6104 1 1 11 TYR CE2 C 3.961 1.648 -1.008 1.00 . A A . 11 TYR CE2 1 1 9 6105 1 1 11 TYR CG C 5.209 0.443 -2.728 1.00 . A A . 11 TYR CG 1 1 9 6106 1 1 11 TYR CZ C 4.871 1.236 -0.086 1.00 . A A . 11 TYR CZ 1 1 9 6107 1 1 11 TYR H H 4.174 -1.648 -6.047 1.00 . A A . 11 TYR H 1 1 9 6108 1 1 11 TYR HA H 6.376 -1.970 -4.149 1.00 . A A . 11 TYR HA 1 1 9 6109 1 1 11 TYR HB2 H 6.328 0.425 -4.560 1.00 . A A . 11 TYR HB2 1 1 9 6110 1 1 11 TYR HB3 H 4.590 0.430 -4.784 1.00 . A A . 11 TYR HB3 1 1 9 6111 1 1 11 TYR HD1 H 6.961 -0.585 -2.043 1.00 . A A . 11 TYR HD1 1 1 9 6112 1 1 11 TYR HD2 H 3.421 1.555 -3.137 1.00 . A A . 11 TYR HD2 1 1 9 6113 1 1 11 TYR HE1 H 6.646 0.143 0.372 1.00 . A A . 11 TYR HE1 1 1 9 6114 1 1 11 TYR HE2 H 3.118 2.276 -0.718 1.00 . A A . 11 TYR HE2 1 1 9 6115 1 1 11 TYR HH H 3.884 1.200 1.589 1.00 . A A . 11 TYR HH 1 1 9 6116 1 1 11 TYR N N 5.136 -1.735 -5.788 1.00 . A A . 11 TYR N 1 1 9 6117 1 1 11 TYR O O 3.174 -1.738 -3.549 1.00 . A A . 11 TYR O 1 1 9 6118 1 1 11 TYR OH O 4.706 1.623 1.207 1.00 . A A . 11 TYR OH 1 1 9 6119 1 1 12 GLU C C 3.830 -3.143 -0.446 1.00 . A A . 12 GLU C 1 1 9 6120 1 1 12 GLU CA C 3.839 -3.812 -1.822 1.00 . A A . 12 GLU CA 1 1 9 6121 1 1 12 GLU CB C 4.199 -5.295 -1.708 1.00 . A A . 12 GLU CB 1 1 9 6122 1 1 12 GLU CD C 5.861 -6.965 -0.809 1.00 . A A . 12 GLU CD 1 1 9 6123 1 1 12 GLU CG C 5.540 -5.481 -0.995 1.00 . A A . 12 GLU CG 1 1 9 6124 1 1 12 GLU H H 5.702 -3.443 -2.678 1.00 . A A . 12 GLU H 1 1 9 6125 1 1 12 GLU HA H 2.858 -3.718 -2.286 1.00 . A A . 12 GLU HA 1 1 9 6126 1 1 12 GLU HB2 H 3.417 -5.822 -1.162 1.00 . A A . 12 GLU HB2 1 1 9 6127 1 1 12 GLU HB3 H 4.247 -5.739 -2.702 1.00 . A A . 12 GLU HB3 1 1 9 6128 1 1 12 GLU HE2 H 6.370 -7.040 -2.620 1.00 . A A . 12 GLU HE2 1 1 9 6129 1 1 12 GLU HG2 H 6.332 -5.003 -1.572 1.00 . A A . 12 GLU HG2 1 1 9 6130 1 1 12 GLU HG3 H 5.511 -4.987 -0.024 1.00 . A A . 12 GLU HG3 1 1 9 6131 1 1 12 GLU N N 4.756 -3.121 -2.713 1.00 . A A . 12 GLU N 1 1 9 6132 1 1 12 GLU O O 4.886 -2.882 0.128 1.00 . A A . 12 GLU O 1 1 9 6133 1 1 12 GLU OE1 O 5.964 -7.439 0.332 1.00 . A A . 12 GLU OE1 1 1 9 6134 1 1 12 GLU OE2 O 6.004 -7.633 -1.903 1.00 . A A . 12 GLU OE2 1 1 9 6135 1 1 13 TYR C C 2.300 -3.296 2.444 1.00 . A A . 13 TYR C 1 1 9 6136 1 1 13 TYR CA C 2.465 -2.250 1.340 1.00 . A A . 13 TYR CA 1 1 9 6137 1 1 13 TYR CB C 1.185 -1.418 1.247 1.00 . A A . 13 TYR CB 1 1 9 6138 1 1 13 TYR CD1 C 1.451 -0.113 3.387 1.00 . A A . 13 TYR CD1 1 1 9 6139 1 1 13 TYR CD2 C -0.596 -1.294 3.027 1.00 . A A . 13 TYR CD2 1 1 9 6140 1 1 13 TYR CE1 C 0.959 0.350 4.659 1.00 . A A . 13 TYR CE1 1 1 9 6141 1 1 13 TYR CE2 C -1.087 -0.831 4.299 1.00 . A A . 13 TYR CE2 1 1 9 6142 1 1 13 TYR CG C 0.663 -0.926 2.598 1.00 . A A . 13 TYR CG 1 1 9 6143 1 1 13 TYR CZ C -0.285 -0.031 5.052 1.00 . A A . 13 TYR CZ 1 1 9 6144 1 1 13 TYR H H 1.772 -3.100 -0.432 1.00 . A A . 13 TYR H 1 1 9 6145 1 1 13 TYR HA H 3.359 -1.660 1.539 1.00 . A A . 13 TYR HA 1 1 9 6146 1 1 13 TYR HB2 H 1.369 -0.557 0.604 1.00 . A A . 13 TYR HB2 1 1 9 6147 1 1 13 TYR HB3 H 0.410 -2.014 0.765 1.00 . A A . 13 TYR HB3 1 1 9 6148 1 1 13 TYR HD1 H 2.445 0.178 3.048 1.00 . A A . 13 TYR HD1 1 1 9 6149 1 1 13 TYR HD2 H -1.218 -1.936 2.404 1.00 . A A . 13 TYR HD2 1 1 9 6150 1 1 13 TYR HE1 H 1.571 0.993 5.293 1.00 . A A . 13 TYR HE1 1 1 9 6151 1 1 13 TYR HE2 H -2.079 -1.115 4.650 1.00 . A A . 13 TYR HE2 1 1 9 6152 1 1 13 TYR HH H -0.326 -0.116 6.994 1.00 . A A . 13 TYR HH 1 1 9 6153 1 1 13 TYR N N 2.626 -2.884 0.042 1.00 . A A . 13 TYR N 1 1 9 6154 1 1 13 TYR O O 1.667 -4.330 2.236 1.00 . A A . 13 TYR O 1 1 9 6155 1 1 13 TYR OH O -0.749 0.406 6.254 1.00 . A A . 13 TYR OH 1 1 9 6156 1 1 14 ASP C C 1.959 -3.249 5.833 1.00 . A A . 14 ASP C 1 1 9 6157 1 1 14 ASP CA C 2.806 -3.892 4.733 1.00 . A A . 14 ASP CA 1 1 9 6158 1 1 14 ASP CB C 4.196 -4.169 5.308 1.00 . A A . 14 ASP CB 1 1 9 6159 1 1 14 ASP CG C 4.499 -5.643 5.586 1.00 . A A . 14 ASP CG 1 1 9 6160 1 1 14 ASP H H 3.394 -2.148 3.757 1.00 . A A . 14 ASP H 1 1 9 6161 1 1 14 ASP HA H 2.359 -4.807 4.345 1.00 . A A . 14 ASP HA 1 1 9 6162 1 1 14 ASP HB2 H 4.943 -3.785 4.614 1.00 . A A . 14 ASP HB2 1 1 9 6163 1 1 14 ASP HB3 H 4.306 -3.610 6.238 1.00 . A A . 14 ASP HB3 1 1 9 6164 1 1 14 ASP HD2 H 4.192 -6.586 7.187 1.00 . A A . 14 ASP HD2 1 1 9 6165 1 1 14 ASP N N 2.880 -2.991 3.595 1.00 . A A . 14 ASP N 1 1 9 6166 1 1 14 ASP O O 2.409 -2.324 6.508 1.00 . A A . 14 ASP O 1 1 9 6167 1 1 14 ASP OD1 O 5.462 -6.209 5.047 1.00 . A A . 14 ASP OD1 1 1 9 6168 1 1 14 ASP OD2 O 3.687 -6.222 6.405 1.00 . A A . 14 ASP OD2 1 1 9 6169 1 1 15 PRO C C 0.205 -3.732 8.388 1.00 . A A . 15 PRO C 1 1 9 6170 1 1 15 PRO CA C -0.200 -3.263 6.989 1.00 . A A . 15 PRO CA 1 1 9 6171 1 1 15 PRO CB C -1.571 -3.766 6.567 1.00 . A A . 15 PRO CB 1 1 9 6172 1 1 15 PRO CD C 0.146 -4.871 5.201 1.00 . A A . 15 PRO CD 1 1 9 6173 1 1 15 PRO CG C -1.316 -4.920 5.611 1.00 . A A . 15 PRO CG 1 1 9 6174 1 1 15 PRO HA H -0.163 -2.264 7.014 1.00 . A A . 15 PRO HA 1 1 9 6175 1 1 15 PRO HB2 H -2.149 -4.095 7.431 1.00 . A A . 15 PRO HB2 1 1 9 6176 1 1 15 PRO HB3 H -2.145 -2.976 6.082 1.00 . A A . 15 PRO HB3 1 1 9 6177 1 1 15 PRO HD2 H 0.650 -5.813 5.416 1.00 . A A . 15 PRO HD2 1 1 9 6178 1 1 15 PRO HD3 H 0.252 -4.690 4.131 1.00 . A A . 15 PRO HD3 1 1 9 6179 1 1 15 PRO HG2 H -1.547 -5.871 6.091 1.00 . A A . 15 PRO HG2 1 1 9 6180 1 1 15 PRO HG3 H -1.961 -4.840 4.736 1.00 . A A . 15 PRO HG3 1 1 9 6181 1 1 15 PRO N N 0.714 -3.776 5.983 1.00 . A A . 15 PRO N 1 1 9 6182 1 1 15 PRO O O -0.064 -3.052 9.376 1.00 . A A . 15 PRO O 1 1 9 6183 1 1 16 ALA C C 2.514 -4.691 10.184 1.00 . A A . 16 ALA C 1 1 9 6184 1 1 16 ALA CA C 1.289 -5.460 9.687 1.00 . A A . 16 ALA CA 1 1 9 6185 1 1 16 ALA CB C 1.573 -6.952 9.504 1.00 . A A . 16 ALA CB 1 1 9 6186 1 1 16 ALA H H 1.059 -5.440 7.617 1.00 . A A . 16 ALA H 1 1 9 6187 1 1 16 ALA HA H 0.479 -5.343 10.408 1.00 . A A . 16 ALA HA 1 1 9 6188 1 1 16 ALA HB1 H 0.649 -7.516 9.631 1.00 . A A . 16 ALA HB1 1 1 9 6189 1 1 16 ALA HB2 H 1.969 -7.126 8.503 1.00 . A A . 16 ALA HB2 1 1 9 6190 1 1 16 ALA HB3 H 2.302 -7.278 10.245 1.00 . A A . 16 ALA HB3 1 1 9 6191 1 1 16 ALA N N 0.844 -4.892 8.426 1.00 . A A . 16 ALA N 1 1 9 6192 1 1 16 ALA O O 2.994 -4.929 11.292 1.00 . A A . 16 ALA O 1 1 9 6193 1 1 17 GLU C C 3.774 -1.494 9.701 1.00 . A A . 17 GLU C 1 1 9 6194 1 1 17 GLU CA C 4.146 -2.978 9.681 1.00 . A A . 17 GLU CA 1 1 9 6195 1 1 17 GLU CB C 5.300 -3.241 8.712 1.00 . A A . 17 GLU CB 1 1 9 6196 1 1 17 GLU CD C 6.958 -3.570 10.582 1.00 . A A . 17 GLU CD 1 1 9 6197 1 1 17 GLU CG C 6.633 -2.787 9.309 1.00 . A A . 17 GLU CG 1 1 9 6198 1 1 17 GLU H H 2.590 -3.596 8.443 1.00 . A A . 17 GLU H 1 1 9 6199 1 1 17 GLU HA H 4.439 -3.299 10.681 1.00 . A A . 17 GLU HA 1 1 9 6200 1 1 17 GLU HB2 H 5.346 -4.304 8.476 1.00 . A A . 17 GLU HB2 1 1 9 6201 1 1 17 GLU HB3 H 5.119 -2.715 7.774 1.00 . A A . 17 GLU HB3 1 1 9 6202 1 1 17 GLU HE2 H 8.200 -4.529 9.540 1.00 . A A . 17 GLU HE2 1 1 9 6203 1 1 17 GLU HG2 H 7.429 -2.926 8.578 1.00 . A A . 17 GLU HG2 1 1 9 6204 1 1 17 GLU HG3 H 6.590 -1.721 9.534 1.00 . A A . 17 GLU HG3 1 1 9 6205 1 1 17 GLU N N 2.986 -3.784 9.342 1.00 . A A . 17 GLU N 1 1 9 6206 1 1 17 GLU O O 4.072 -0.788 10.664 1.00 . A A . 17 GLU O 1 1 9 6207 1 1 17 GLU OE1 O 6.505 -3.195 11.674 1.00 . A A . 17 GLU OE1 1 1 9 6208 1 1 17 GLU OE2 O 7.711 -4.603 10.409 1.00 . A A . 17 GLU OE2 1 1 9 6209 1 1 18 GLY C C 3.443 1.019 7.358 1.00 . A A . 18 GLY C 1 1 9 6210 1 1 18 GLY CA C 2.713 0.323 8.509 1.00 . A A . 18 GLY CA 1 1 9 6211 1 1 18 GLY H H 2.890 -1.644 7.849 1.00 . A A . 18 GLY H 1 1 9 6212 1 1 18 GLY HA2 H 1.636 0.371 8.344 1.00 . A A . 18 GLY HA2 1 1 9 6213 1 1 18 GLY HA3 H 2.915 0.848 9.443 1.00 . A A . 18 GLY HA3 1 1 9 6214 1 1 18 GLY N N 3.128 -1.064 8.627 1.00 . A A . 18 GLY N 1 1 9 6215 1 1 18 GLY O O 3.661 0.421 6.306 1.00 . A A . 18 GLY O 1 1 9 6216 1 1 19 ASP C C 5.043 4.333 7.238 1.00 . A A . 19 ASP C 1 1 9 6217 1 1 19 ASP CA C 4.502 3.054 6.595 1.00 . A A . 19 ASP CA 1 1 9 6218 1 1 19 ASP CB C 3.563 3.459 5.457 1.00 . A A . 19 ASP CB 1 1 9 6219 1 1 19 ASP CG C 4.261 3.919 4.175 1.00 . A A . 19 ASP CG 1 1 9 6220 1 1 19 ASP H H 3.620 2.750 8.457 1.00 . A A . 19 ASP H 1 1 9 6221 1 1 19 ASP HA H 5.296 2.404 6.227 1.00 . A A . 19 ASP HA 1 1 9 6222 1 1 19 ASP HB2 H 2.919 2.612 5.218 1.00 . A A . 19 ASP HB2 1 1 9 6223 1 1 19 ASP HB3 H 2.916 4.263 5.808 1.00 . A A . 19 ASP HB3 1 1 9 6224 1 1 19 ASP HD2 H 5.232 2.306 4.241 1.00 . A A . 19 ASP HD2 1 1 9 6225 1 1 19 ASP N N 3.801 2.272 7.598 1.00 . A A . 19 ASP N 1 1 9 6226 1 1 19 ASP O O 4.278 5.234 7.575 1.00 . A A . 19 ASP O 1 1 9 6227 1 1 19 ASP OD1 O 4.133 5.080 3.760 1.00 . A A . 19 ASP OD1 1 1 9 6228 1 1 19 ASP OD2 O 4.970 3.016 3.586 1.00 . A A . 19 ASP OD2 1 1 9 6229 1 1 20 PRO C C 7.091 6.697 7.009 1.00 . A A . 20 PRO C 1 1 9 6230 1 1 20 PRO CA C 7.047 5.524 7.989 1.00 . A A . 20 PRO CA 1 1 9 6231 1 1 20 PRO CB C 8.428 5.031 8.389 1.00 . A A . 20 PRO CB 1 1 9 6232 1 1 20 PRO CD C 7.332 3.321 7.005 1.00 . A A . 20 PRO CD 1 1 9 6233 1 1 20 PRO CG C 8.666 3.761 7.587 1.00 . A A . 20 PRO CG 1 1 9 6234 1 1 20 PRO HA H 6.526 5.847 8.779 1.00 . A A . 20 PRO HA 1 1 9 6235 1 1 20 PRO HB2 H 9.189 5.780 8.169 1.00 . A A . 20 PRO HB2 1 1 9 6236 1 1 20 PRO HB3 H 8.477 4.831 9.459 1.00 . A A . 20 PRO HB3 1 1 9 6237 1 1 20 PRO HD2 H 7.387 3.220 5.921 1.00 . A A . 20 PRO HD2 1 1 9 6238 1 1 20 PRO HD3 H 7.028 2.352 7.400 1.00 . A A . 20 PRO HD3 1 1 9 6239 1 1 20 PRO HG2 H 9.389 3.942 6.791 1.00 . A A . 20 PRO HG2 1 1 9 6240 1 1 20 PRO HG3 H 9.081 2.980 8.223 1.00 . A A . 20 PRO HG3 1 1 9 6241 1 1 20 PRO N N 6.394 4.371 7.393 1.00 . A A . 20 PRO N 1 1 9 6242 1 1 20 PRO O O 6.958 7.852 7.411 1.00 . A A . 20 PRO O 1 1 9 6243 1 1 21 ASP C C 6.347 8.490 5.019 1.00 . A A . 21 ASP C 1 1 9 6244 1 1 21 ASP CA C 7.342 7.372 4.700 1.00 . A A . 21 ASP CA 1 1 9 6245 1 1 21 ASP CB C 6.971 6.784 3.337 1.00 . A A . 21 ASP CB 1 1 9 6246 1 1 21 ASP CG C 7.588 7.501 2.134 1.00 . A A . 21 ASP CG 1 1 9 6247 1 1 21 ASP H H 7.386 5.419 5.422 1.00 . A A . 21 ASP H 1 1 9 6248 1 1 21 ASP HA H 8.375 7.721 4.702 1.00 . A A . 21 ASP HA 1 1 9 6249 1 1 21 ASP HB2 H 7.277 5.738 3.314 1.00 . A A . 21 ASP HB2 1 1 9 6250 1 1 21 ASP HB3 H 5.886 6.801 3.234 1.00 . A A . 21 ASP HB3 1 1 9 6251 1 1 21 ASP HD2 H 7.241 9.285 2.625 1.00 . A A . 21 ASP HD2 1 1 9 6252 1 1 21 ASP N N 7.279 6.361 5.741 1.00 . A A . 21 ASP N 1 1 9 6253 1 1 21 ASP O O 6.669 9.670 4.886 1.00 . A A . 21 ASP O 1 1 9 6254 1 1 21 ASP OD1 O 8.510 6.983 1.486 1.00 . A A . 21 ASP OD1 1 1 9 6255 1 1 21 ASP OD2 O 7.078 8.655 1.866 1.00 . A A . 21 ASP OD2 1 1 9 6256 1 1 22 ASN C C 3.923 9.052 7.292 1.00 . A A . 22 ASN C 1 1 9 6257 1 1 22 ASN CA C 4.114 9.030 5.774 1.00 . A A . 22 ASN CA 1 1 9 6258 1 1 22 ASN CB C 2.780 8.636 5.135 1.00 . A A . 22 ASN CB 1 1 9 6259 1 1 22 ASN CG C 2.582 9.348 3.795 1.00 . A A . 22 ASN CG 1 1 9 6260 1 1 22 ASN H H 4.904 7.117 5.540 1.00 . A A . 22 ASN H 1 1 9 6261 1 1 22 ASN HA H 4.460 9.987 5.383 1.00 . A A . 22 ASN HA 1 1 9 6262 1 1 22 ASN HB2 H 2.750 7.557 4.985 1.00 . A A . 22 ASN HB2 1 1 9 6263 1 1 22 ASN HB3 H 1.961 8.888 5.809 1.00 . A A . 22 ASN HB3 1 1 9 6264 1 1 22 ASN HD21 H 4.072 8.214 3.026 1.00 . A A . 22 ASN HD21 1 1 9 6265 1 1 22 ASN HD22 H 3.350 9.337 1.922 1.00 . A A . 22 ASN HD22 1 1 9 6266 1 1 22 ASN N N 5.158 8.079 5.434 1.00 . A A . 22 ASN N 1 1 9 6267 1 1 22 ASN ND2 N 3.403 8.932 2.835 1.00 . A A . 22 ASN ND2 1 1 9 6268 1 1 22 ASN O O 3.883 10.120 7.901 1.00 . A A . 22 ASN O 1 1 9 6269 1 1 22 ASN OD1 O 1.740 10.218 3.644 1.00 . A A . 22 ASN OD1 1 1 9 6270 1 1 23 GLY C C 2.436 6.817 9.612 1.00 . A A . 23 GLY C 1 1 9 6271 1 1 23 GLY CA C 3.623 7.728 9.294 1.00 . A A . 23 GLY CA 1 1 9 6272 1 1 23 GLY H H 3.843 6.996 7.356 1.00 . A A . 23 GLY H 1 1 9 6273 1 1 23 GLY HA2 H 4.529 7.323 9.746 1.00 . A A . 23 GLY HA2 1 1 9 6274 1 1 23 GLY HA3 H 3.460 8.712 9.734 1.00 . A A . 23 GLY HA3 1 1 9 6275 1 1 23 GLY N N 3.809 7.860 7.859 1.00 . A A . 23 GLY N 1 1 9 6276 1 1 23 GLY O O 1.339 7.297 9.893 1.00 . A A . 23 GLY O 1 1 9 6277 1 1 24 VAL C C 2.203 3.499 10.819 1.00 . A A . 24 VAL C 1 1 9 6278 1 1 24 VAL CA C 1.662 4.537 9.834 1.00 . A A . 24 VAL CA 1 1 9 6279 1 1 24 VAL CB C 1.163 3.917 8.527 1.00 . A A . 24 VAL CB 1 1 9 6280 1 1 24 VAL CG1 C 0.411 2.611 8.791 1.00 . A A . 24 VAL CG1 1 1 9 6281 1 1 24 VAL CG2 C 0.290 4.905 7.750 1.00 . A A . 24 VAL CG2 1 1 9 6282 1 1 24 VAL H H 3.591 5.137 9.326 1.00 . A A . 24 VAL H 1 1 9 6283 1 1 24 VAL HA H 0.827 5.061 10.299 1.00 . A A . 24 VAL HA 1 1 9 6284 1 1 24 VAL HB H 2.033 3.684 7.913 1.00 . A A . 24 VAL HB 1 1 9 6285 1 1 24 VAL HG11 H 0.221 2.104 7.846 1.00 . A A . 24 VAL HG11 1 1 9 6286 1 1 24 VAL HG12 H 1.014 1.969 9.434 1.00 . A A . 24 VAL HG12 1 1 9 6287 1 1 24 VAL HG13 H -0.536 2.830 9.283 1.00 . A A . 24 VAL HG13 1 1 9 6288 1 1 24 VAL HG21 H -0.718 4.904 8.165 1.00 . A A . 24 VAL HG21 1 1 9 6289 1 1 24 VAL HG22 H 0.715 5.905 7.830 1.00 . A A . 24 VAL HG22 1 1 9 6290 1 1 24 VAL HG23 H 0.252 4.609 6.702 1.00 . A A . 24 VAL HG23 1 1 9 6291 1 1 24 VAL N N 2.696 5.519 9.556 1.00 . A A . 24 VAL N 1 1 9 6292 1 1 24 VAL O O 3.350 3.068 10.705 1.00 . A A . 24 VAL O 1 1 9 6293 1 1 25 LYS C C 1.540 0.741 12.200 1.00 . A A . 25 LYS C 1 1 9 6294 1 1 25 LYS CA C 1.731 2.148 12.769 1.00 . A A . 25 LYS CA 1 1 9 6295 1 1 25 LYS CB C 0.966 2.393 14.071 1.00 . A A . 25 LYS CB 1 1 9 6296 1 1 25 LYS CD C 0.768 3.884 16.096 1.00 . A A . 25 LYS CD 1 1 9 6297 1 1 25 LYS CE C 0.250 5.314 15.929 1.00 . A A . 25 LYS CE 1 1 9 6298 1 1 25 LYS CG C 1.646 3.477 14.911 1.00 . A A . 25 LYS CG 1 1 9 6299 1 1 25 LYS H H 0.421 3.483 11.850 1.00 . A A . 25 LYS H 1 1 9 6300 1 1 25 LYS HA H 2.789 2.293 12.985 1.00 . A A . 25 LYS HA 1 1 9 6301 1 1 25 LYS HB2 H -0.058 2.692 13.846 1.00 . A A . 25 LYS HB2 1 1 9 6302 1 1 25 LYS HB3 H 0.909 1.468 14.644 1.00 . A A . 25 LYS HB3 1 1 9 6303 1 1 25 LYS HD2 H -0.074 3.197 16.183 1.00 . A A . 25 LYS HD2 1 1 9 6304 1 1 25 LYS HD3 H 1.340 3.806 17.020 1.00 . A A . 25 LYS HD3 1 1 9 6305 1 1 25 LYS HE2 H 0.511 5.689 14.939 1.00 . A A . 25 LYS HE2 1 1 9 6306 1 1 25 LYS HE3 H -0.838 5.324 15.997 1.00 . A A . 25 LYS HE3 1 1 9 6307 1 1 25 LYS HG2 H 2.606 3.112 15.274 1.00 . A A . 25 LYS HG2 1 1 9 6308 1 1 25 LYS HG3 H 1.851 4.349 14.289 1.00 . A A . 25 LYS HG3 1 1 9 6309 1 1 25 LYS HZ1 H 1.788 5.960 17.179 1.00 . A A . 25 LYS HZ1 1 1 9 6310 1 1 25 LYS HZ3 H 0.311 6.143 17.840 1.00 . A A . 25 LYS HZ3 1 1 9 6311 1 1 25 LYS N N 1.352 3.127 11.765 1.00 . A A . 25 LYS N 1 1 9 6312 1 1 25 LYS NZ N 0.825 6.198 16.968 1.00 . A A . 25 LYS NZ 1 1 9 6313 1 1 25 LYS O O 0.850 0.560 11.198 1.00 . A A . 25 LYS O 1 1 9 6314 1 1 26 PRO C C 0.725 -2.226 12.810 1.00 . A A . 26 PRO C 1 1 9 6315 1 1 26 PRO CA C 2.090 -1.632 12.455 1.00 . A A . 26 PRO CA 1 1 9 6316 1 1 26 PRO CB C 3.243 -2.336 13.151 1.00 . A A . 26 PRO CB 1 1 9 6317 1 1 26 PRO CD C 3.008 -0.070 14.073 1.00 . A A . 26 PRO CD 1 1 9 6318 1 1 26 PRO CG C 3.654 -1.427 14.299 1.00 . A A . 26 PRO CG 1 1 9 6319 1 1 26 PRO HA H 2.164 -1.694 11.460 1.00 . A A . 26 PRO HA 1 1 9 6320 1 1 26 PRO HB2 H 2.938 -3.315 13.519 1.00 . A A . 26 PRO HB2 1 1 9 6321 1 1 26 PRO HB3 H 4.074 -2.498 12.465 1.00 . A A . 26 PRO HB3 1 1 9 6322 1 1 26 PRO HD2 H 2.406 0.230 14.931 1.00 . A A . 26 PRO HD2 1 1 9 6323 1 1 26 PRO HD3 H 3.758 0.706 13.922 1.00 . A A . 26 PRO HD3 1 1 9 6324 1 1 26 PRO HG2 H 3.334 -1.848 15.252 1.00 . A A . 26 PRO HG2 1 1 9 6325 1 1 26 PRO HG3 H 4.739 -1.331 14.340 1.00 . A A . 26 PRO HG3 1 1 9 6326 1 1 26 PRO N N 2.182 -0.246 12.882 1.00 . A A . 26 PRO N 1 1 9 6327 1 1 26 PRO O O 0.135 -1.869 13.828 1.00 . A A . 26 PRO O 1 1 9 6328 1 1 27 GLY C C -2.151 -2.966 11.514 1.00 . A A . 27 GLY C 1 1 9 6329 1 1 27 GLY CA C -1.020 -3.769 12.160 1.00 . A A . 27 GLY CA 1 1 9 6330 1 1 27 GLY H H 0.750 -3.407 11.124 1.00 . A A . 27 GLY H 1 1 9 6331 1 1 27 GLY HA2 H -0.998 -4.775 11.741 1.00 . A A . 27 GLY HA2 1 1 9 6332 1 1 27 GLY HA3 H -1.209 -3.873 13.229 1.00 . A A . 27 GLY HA3 1 1 9 6333 1 1 27 GLY N N 0.264 -3.122 11.950 1.00 . A A . 27 GLY N 1 1 9 6334 1 1 27 GLY O O -3.276 -3.451 11.402 1.00 . A A . 27 GLY O 1 1 9 6335 1 1 28 THR C C -3.198 -1.436 9.109 1.00 . A A . 28 THR C 1 1 9 6336 1 1 28 THR CA C -2.786 -0.877 10.472 1.00 . A A . 28 THR CA 1 1 9 6337 1 1 28 THR CB C -2.181 0.526 10.396 1.00 . A A . 28 THR CB 1 1 9 6338 1 1 28 THR CG2 C -3.177 1.566 9.882 1.00 . A A . 28 THR CG2 1 1 9 6339 1 1 28 THR H H -0.895 -1.365 11.199 1.00 . A A . 28 THR H 1 1 9 6340 1 1 28 THR HA H -3.681 -0.854 11.093 1.00 . A A . 28 THR HA 1 1 9 6341 1 1 28 THR HB H -1.272 0.526 9.794 1.00 . A A . 28 THR HB 1 1 9 6342 1 1 28 THR HG1 H -2.850 1.080 12.199 1.00 . A A . 28 THR HG1 1 1 9 6343 1 1 28 THR HG21 H -4.188 1.272 10.165 1.00 . A A . 28 THR HG21 1 1 9 6344 1 1 28 THR HG22 H -2.946 2.538 10.318 1.00 . A A . 28 THR HG22 1 1 9 6345 1 1 28 THR HG23 H -3.108 1.630 8.796 1.00 . A A . 28 THR HG23 1 1 9 6346 1 1 28 THR N N -1.813 -1.752 11.105 1.00 . A A . 28 THR N 1 1 9 6347 1 1 28 THR O O -2.461 -2.213 8.504 1.00 . A A . 28 THR O 1 1 9 6348 1 1 28 THR OG1 O -1.973 0.889 11.759 1.00 . A A . 28 THR OG1 1 1 9 6349 1 1 29 SER C C -4.801 -0.337 6.357 1.00 . A A . 29 SER C 1 1 9 6350 1 1 29 SER CA C -4.894 -1.467 7.385 1.00 . A A . 29 SER CA 1 1 9 6351 1 1 29 SER CB C -6.340 -1.947 7.515 1.00 . A A . 29 SER CB 1 1 9 6352 1 1 29 SER H H -4.968 -0.386 9.164 1.00 . A A . 29 SER H 1 1 9 6353 1 1 29 SER HA H -4.259 -2.303 7.093 1.00 . A A . 29 SER HA 1 1 9 6354 1 1 29 SER HB2 H -6.541 -2.703 6.755 1.00 . A A . 29 SER HB2 1 1 9 6355 1 1 29 SER HB3 H -6.478 -2.426 8.485 1.00 . A A . 29 SER HB3 1 1 9 6356 1 1 29 SER HG H -8.180 -1.175 7.676 1.00 . A A . 29 SER HG 1 1 9 6357 1 1 29 SER N N -4.375 -1.018 8.665 1.00 . A A . 29 SER N 1 1 9 6358 1 1 29 SER O O -4.708 0.834 6.724 1.00 . A A . 29 SER O 1 1 9 6359 1 1 29 SER OG O -7.273 -0.879 7.378 1.00 . A A . 29 SER OG 1 1 9 6360 1 1 30 PHE C C -6.025 1.076 3.925 1.00 . A A . 30 PHE C 1 1 9 6361 1 1 30 PHE CA C -4.747 0.238 4.009 1.00 . A A . 30 PHE CA 1 1 9 6362 1 1 30 PHE CB C -4.587 -0.557 2.711 1.00 . A A . 30 PHE CB 1 1 9 6363 1 1 30 PHE CD1 C -5.078 1.125 0.921 1.00 . A A . 30 PHE CD1 1 1 9 6364 1 1 30 PHE CD2 C -2.907 0.216 1.023 1.00 . A A . 30 PHE CD2 1 1 9 6365 1 1 30 PHE CE1 C -4.695 1.913 -0.196 1.00 . A A . 30 PHE CE1 1 1 9 6366 1 1 30 PHE CE2 C -2.524 1.005 -0.094 1.00 . A A . 30 PHE CE2 1 1 9 6367 1 1 30 PHE CG C -4.175 0.293 1.508 1.00 . A A . 30 PHE CG 1 1 9 6368 1 1 30 PHE CZ C -3.427 1.837 -0.680 1.00 . A A . 30 PHE CZ 1 1 9 6369 1 1 30 PHE H H -4.903 -1.681 4.802 1.00 . A A . 30 PHE H 1 1 9 6370 1 1 30 PHE HA H -3.900 0.891 4.219 1.00 . A A . 30 PHE HA 1 1 9 6371 1 1 30 PHE HB2 H -3.842 -1.337 2.865 1.00 . A A . 30 PHE HB2 1 1 9 6372 1 1 30 PHE HB3 H -5.529 -1.057 2.485 1.00 . A A . 30 PHE HB3 1 1 9 6373 1 1 30 PHE HD1 H -6.095 1.186 1.310 1.00 . A A . 30 PHE HD1 1 1 9 6374 1 1 30 PHE HD2 H -2.183 -0.450 1.493 1.00 . A A . 30 PHE HD2 1 1 9 6375 1 1 30 PHE HE1 H -5.419 2.580 -0.666 1.00 . A A . 30 PHE HE1 1 1 9 6376 1 1 30 PHE HE2 H -1.508 0.943 -0.482 1.00 . A A . 30 PHE HE2 1 1 9 6377 1 1 30 PHE HZ H -3.133 2.442 -1.538 1.00 . A A . 30 PHE HZ 1 1 9 6378 1 1 30 PHE N N -4.828 -0.727 5.092 1.00 . A A . 30 PHE N 1 1 9 6379 1 1 30 PHE O O -6.039 2.131 3.293 1.00 . A A . 30 PHE O 1 1 9 6380 1 1 31 ASP C C -8.288 2.427 5.570 1.00 . A A . 31 ASP C 1 1 9 6381 1 1 31 ASP CA C -8.346 1.263 4.579 1.00 . A A . 31 ASP CA 1 1 9 6382 1 1 31 ASP CB C -9.474 0.326 5.015 1.00 . A A . 31 ASP CB 1 1 9 6383 1 1 31 ASP CG C -10.552 0.076 3.959 1.00 . A A . 31 ASP CG 1 1 9 6384 1 1 31 ASP H H -7.047 -0.285 5.083 1.00 . A A . 31 ASP H 1 1 9 6385 1 1 31 ASP HA H -8.497 1.597 3.552 1.00 . A A . 31 ASP HA 1 1 9 6386 1 1 31 ASP HB2 H -9.040 -0.631 5.303 1.00 . A A . 31 ASP HB2 1 1 9 6387 1 1 31 ASP HB3 H -9.948 0.742 5.904 1.00 . A A . 31 ASP HB3 1 1 9 6388 1 1 31 ASP HD2 H -11.855 1.435 3.898 1.00 . A A . 31 ASP HD2 1 1 9 6389 1 1 31 ASP N N -7.067 0.574 4.572 1.00 . A A . 31 ASP N 1 1 9 6390 1 1 31 ASP O O -9.061 3.378 5.462 1.00 . A A . 31 ASP O 1 1 9 6391 1 1 31 ASP OD1 O -10.913 -1.075 3.675 1.00 . A A . 31 ASP OD1 1 1 9 6392 1 1 31 ASP OD2 O -11.034 1.140 3.409 1.00 . A A . 31 ASP OD2 1 1 9 6393 1 1 32 ASP C C -6.046 4.268 7.116 1.00 . A A . 32 ASP C 1 1 9 6394 1 1 32 ASP CA C -7.196 3.345 7.523 1.00 . A A . 32 ASP CA 1 1 9 6395 1 1 32 ASP CB C -6.853 2.733 8.883 1.00 . A A . 32 ASP CB 1 1 9 6396 1 1 32 ASP CG C -7.537 3.395 10.081 1.00 . A A . 32 ASP CG 1 1 9 6397 1 1 32 ASP H H -6.741 1.537 6.594 1.00 . A A . 32 ASP H 1 1 9 6398 1 1 32 ASP HA H -8.154 3.865 7.565 1.00 . A A . 32 ASP HA 1 1 9 6399 1 1 32 ASP HB2 H -7.122 1.677 8.868 1.00 . A A . 32 ASP HB2 1 1 9 6400 1 1 32 ASP HB3 H -5.774 2.785 9.026 1.00 . A A . 32 ASP HB3 1 1 9 6401 1 1 32 ASP HD2 H -8.824 2.230 10.810 1.00 . A A . 32 ASP HD2 1 1 9 6402 1 1 32 ASP N N -7.365 2.314 6.514 1.00 . A A . 32 ASP N 1 1 9 6403 1 1 32 ASP O O -5.566 5.061 7.925 1.00 . A A . 32 ASP O 1 1 9 6404 1 1 32 ASP OD1 O -6.923 4.189 10.809 1.00 . A A . 32 ASP OD1 1 1 9 6405 1 1 32 ASP OD2 O -8.771 3.061 10.257 1.00 . A A . 32 ASP OD2 1 1 9 6406 1 1 33 LEU C C -5.106 6.302 4.892 1.00 . A A . 33 LEU C 1 1 9 6407 1 1 33 LEU CA C -4.553 4.947 5.339 1.00 . A A . 33 LEU CA 1 1 9 6408 1 1 33 LEU CB C -3.805 4.195 4.236 1.00 . A A . 33 LEU CB 1 1 9 6409 1 1 33 LEU CD1 C -2.185 2.400 3.520 1.00 . A A . 33 LEU CD1 1 1 9 6410 1 1 33 LEU CD2 C -1.703 3.808 5.574 1.00 . A A . 33 LEU CD2 1 1 9 6411 1 1 33 LEU CG C -2.783 3.158 4.706 1.00 . A A . 33 LEU CG 1 1 9 6412 1 1 33 LEU H H -6.034 3.487 5.212 1.00 . A A . 33 LEU H 1 1 9 6413 1 1 33 LEU HA H -3.847 5.113 6.152 1.00 . A A . 33 LEU HA 1 1 9 6414 1 1 33 LEU HB2 H -4.538 3.692 3.605 1.00 . A A . 33 LEU HB2 1 1 9 6415 1 1 33 LEU HB3 H -3.291 4.924 3.610 1.00 . A A . 33 LEU HB3 1 1 9 6416 1 1 33 LEU HD11 H -1.639 1.529 3.883 1.00 . A A . 33 LEU HD11 1 1 9 6417 1 1 33 LEU HD12 H -2.986 2.076 2.855 1.00 . A A . 33 LEU HD12 1 1 9 6418 1 1 33 LEU HD13 H -1.504 3.055 2.975 1.00 . A A . 33 LEU HD13 1 1 9 6419 1 1 33 LEU HD21 H -1.681 3.324 6.550 1.00 . A A . 33 LEU HD21 1 1 9 6420 1 1 33 LEU HD22 H -0.732 3.695 5.091 1.00 . A A . 33 LEU HD22 1 1 9 6421 1 1 33 LEU HD23 H -1.925 4.867 5.699 1.00 . A A . 33 LEU HD23 1 1 9 6422 1 1 33 LEU HG H -3.299 2.427 5.329 1.00 . A A . 33 LEU HG 1 1 9 6423 1 1 33 LEU N N -5.638 4.135 5.863 1.00 . A A . 33 LEU N 1 1 9 6424 1 1 33 LEU O O -6.277 6.410 4.531 1.00 . A A . 33 LEU O 1 1 9 6425 1 1 34 PRO C C -4.714 8.784 3.015 1.00 . A A . 34 PRO C 1 1 9 6426 1 1 34 PRO CA C -4.601 8.672 4.537 1.00 . A A . 34 PRO CA 1 1 9 6427 1 1 34 PRO CB C -3.530 9.578 5.122 1.00 . A A . 34 PRO CB 1 1 9 6428 1 1 34 PRO CD C -2.820 7.237 5.355 1.00 . A A . 34 PRO CD 1 1 9 6429 1 1 34 PRO CG C -2.342 8.678 5.423 1.00 . A A . 34 PRO CG 1 1 9 6430 1 1 34 PRO HA H -5.509 8.891 4.895 1.00 . A A . 34 PRO HA 1 1 9 6431 1 1 34 PRO HB2 H -3.257 10.364 4.418 1.00 . A A . 34 PRO HB2 1 1 9 6432 1 1 34 PRO HB3 H -3.887 10.070 6.026 1.00 . A A . 34 PRO HB3 1 1 9 6433 1 1 34 PRO HD2 H -2.229 6.657 4.646 1.00 . A A . 34 PRO HD2 1 1 9 6434 1 1 34 PRO HD3 H -2.731 6.744 6.323 1.00 . A A . 34 PRO HD3 1 1 9 6435 1 1 34 PRO HG2 H -1.542 8.850 4.704 1.00 . A A . 34 PRO HG2 1 1 9 6436 1 1 34 PRO HG3 H -1.937 8.900 6.410 1.00 . A A . 34 PRO HG3 1 1 9 6437 1 1 34 PRO N N -4.215 7.328 4.933 1.00 . A A . 34 PRO N 1 1 9 6438 1 1 34 PRO O O -4.308 7.877 2.291 1.00 . A A . 34 PRO O 1 1 9 6439 1 1 35 ALA C C -4.115 10.638 0.561 1.00 . A A . 35 ALA C 1 1 9 6440 1 1 35 ALA CA C -5.438 10.147 1.153 1.00 . A A . 35 ALA CA 1 1 9 6441 1 1 35 ALA CB C -6.578 11.145 0.939 1.00 . A A . 35 ALA CB 1 1 9 6442 1 1 35 ALA H H -5.595 10.638 3.172 1.00 . A A . 35 ALA H 1 1 9 6443 1 1 35 ALA HA H -5.707 9.200 0.685 1.00 . A A . 35 ALA HA 1 1 9 6444 1 1 35 ALA HB1 H -6.594 11.860 1.761 1.00 . A A . 35 ALA HB1 1 1 9 6445 1 1 35 ALA HB2 H -6.425 11.675 -0.001 1.00 . A A . 35 ALA HB2 1 1 9 6446 1 1 35 ALA HB3 H -7.527 10.610 0.904 1.00 . A A . 35 ALA HB3 1 1 9 6447 1 1 35 ALA N N -5.267 9.905 2.576 1.00 . A A . 35 ALA N 1 1 9 6448 1 1 35 ALA O O -3.817 10.375 -0.603 1.00 . A A . 35 ALA O 1 1 9 6449 1 1 36 ASP C C -0.997 10.800 1.154 1.00 . A A . 36 ASP C 1 1 9 6450 1 1 36 ASP CA C -2.073 11.870 0.963 1.00 . A A . 36 ASP CA 1 1 9 6451 1 1 36 ASP CB C -1.678 13.093 1.794 1.00 . A A . 36 ASP CB 1 1 9 6452 1 1 36 ASP CG C -1.492 12.826 3.289 1.00 . A A . 36 ASP CG 1 1 9 6453 1 1 36 ASP H H -3.607 11.550 2.336 1.00 . A A . 36 ASP H 1 1 9 6454 1 1 36 ASP HA H -2.210 12.143 -0.083 1.00 . A A . 36 ASP HA 1 1 9 6455 1 1 36 ASP HB2 H -0.749 13.500 1.394 1.00 . A A . 36 ASP HB2 1 1 9 6456 1 1 36 ASP HB3 H -2.442 13.860 1.670 1.00 . A A . 36 ASP HB3 1 1 9 6457 1 1 36 ASP HD2 H -0.409 14.331 3.621 1.00 . A A . 36 ASP HD2 1 1 9 6458 1 1 36 ASP N N -3.357 11.341 1.390 1.00 . A A . 36 ASP N 1 1 9 6459 1 1 36 ASP O O 0.195 11.105 1.144 1.00 . A A . 36 ASP O 1 1 9 6460 1 1 36 ASP OD1 O -1.609 11.682 3.753 1.00 . A A . 36 ASP OD1 1 1 9 6461 1 1 36 ASP OD2 O -1.211 13.866 3.998 1.00 . A A . 36 ASP OD2 1 1 9 6462 1 1 37 TRP C C 0.030 8.070 0.151 1.00 . A A . 37 TRP C 1 1 9 6463 1 1 37 TRP CA C -0.546 8.452 1.516 1.00 . A A . 37 TRP CA 1 1 9 6464 1 1 37 TRP CB C -1.248 7.287 2.216 1.00 . A A . 37 TRP CB 1 1 9 6465 1 1 37 TRP CD1 C 0.560 5.889 3.414 1.00 . A A . 37 TRP CD1 1 1 9 6466 1 1 37 TRP CD2 C -0.321 4.861 1.660 1.00 . A A . 37 TRP CD2 1 1 9 6467 1 1 37 TRP CE2 C 0.623 4.014 2.204 1.00 . A A . 37 TRP CE2 1 1 9 6468 1 1 37 TRP CE3 C -1.065 4.497 0.524 1.00 . A A . 37 TRP CE3 1 1 9 6469 1 1 37 TRP CG C -0.352 6.069 2.449 1.00 . A A . 37 TRP CG 1 1 9 6470 1 1 37 TRP CH2 C 0.181 2.364 0.547 1.00 . A A . 37 TRP CH2 1 1 9 6471 1 1 37 TRP CZ2 C 0.910 2.748 1.679 1.00 . A A . 37 TRP CZ2 1 1 9 6472 1 1 37 TRP CZ3 C -0.766 3.229 0.011 1.00 . A A . 37 TRP CZ3 1 1 9 6473 1 1 37 TRP H H -2.426 9.329 1.330 1.00 . A A . 37 TRP H 1 1 9 6474 1 1 37 TRP HA H 0.254 8.784 2.178 1.00 . A A . 37 TRP HA 1 1 9 6475 1 1 37 TRP HB2 H -1.632 7.632 3.176 1.00 . A A . 37 TRP HB2 1 1 9 6476 1 1 37 TRP HB3 H -2.109 6.984 1.619 1.00 . A A . 37 TRP HB3 1 1 9 6477 1 1 37 TRP HD1 H 0.788 6.622 4.187 1.00 . A A . 37 TRP HD1 1 1 9 6478 1 1 37 TRP HE1 H 1.952 4.265 3.960 1.00 . A A . 37 TRP HE1 1 1 9 6479 1 1 37 TRP HE3 H -1.815 5.148 0.076 1.00 . A A . 37 TRP HE3 1 1 9 6480 1 1 37 TRP HH2 H 0.355 1.391 0.088 1.00 . A A . 37 TRP HH2 1 1 9 6481 1 1 37 TRP HZ2 H 1.660 2.097 2.127 1.00 . A A . 37 TRP HZ2 1 1 9 6482 1 1 37 TRP HZ3 H -1.315 2.897 -0.870 1.00 . A A . 37 TRP HZ3 1 1 9 6483 1 1 37 TRP N N -1.455 9.569 1.323 1.00 . A A . 37 TRP N 1 1 9 6484 1 1 37 TRP NE1 N 1.176 4.658 3.304 1.00 . A A . 37 TRP NE1 1 1 9 6485 1 1 37 TRP O O 1.246 7.991 -0.014 1.00 . A A . 37 TRP O 1 1 9 6486 1 1 38 VAL C C 0.653 6.432 -2.062 1.00 . A A . 38 VAL C 1 1 9 6487 1 1 38 VAL CA C -0.469 7.470 -2.138 1.00 . A A . 38 VAL CA 1 1 9 6488 1 1 38 VAL CB C -0.075 8.718 -2.931 1.00 . A A . 38 VAL CB 1 1 9 6489 1 1 38 VAL CG1 C -1.268 9.662 -3.095 1.00 . A A . 38 VAL CG1 1 1 9 6490 1 1 38 VAL CG2 C 1.106 9.435 -2.273 1.00 . A A . 38 VAL CG2 1 1 9 6491 1 1 38 VAL H H -1.859 7.909 -0.650 1.00 . A A . 38 VAL H 1 1 9 6492 1 1 38 VAL HA H -1.332 7.019 -2.627 1.00 . A A . 38 VAL HA 1 1 9 6493 1 1 38 VAL HB H 0.239 8.399 -3.925 1.00 . A A . 38 VAL HB 1 1 9 6494 1 1 38 VAL HG11 H -2.066 9.360 -2.418 1.00 . A A . 38 VAL HG11 1 1 9 6495 1 1 38 VAL HG12 H -0.959 10.681 -2.861 1.00 . A A . 38 VAL HG12 1 1 9 6496 1 1 38 VAL HG13 H -1.627 9.619 -4.123 1.00 . A A . 38 VAL HG13 1 1 9 6497 1 1 38 VAL HG21 H 1.874 8.707 -2.014 1.00 . A A . 38 VAL HG21 1 1 9 6498 1 1 38 VAL HG22 H 1.518 10.168 -2.967 1.00 . A A . 38 VAL HG22 1 1 9 6499 1 1 38 VAL HG23 H 0.766 9.942 -1.370 1.00 . A A . 38 VAL HG23 1 1 9 6500 1 1 38 VAL N N -0.872 7.842 -0.793 1.00 . A A . 38 VAL N 1 1 9 6501 1 1 38 VAL O O 0.852 5.804 -1.023 1.00 . A A . 38 VAL O 1 1 9 6502 1 1 39 CYS C C 3.766 6.104 -3.115 1.00 . A A . 39 CYS C 1 1 9 6503 1 1 39 CYS CA C 2.451 5.333 -3.247 1.00 . A A . 39 CYS CA 1 1 9 6504 1 1 39 CYS CB C 2.400 4.507 -4.534 1.00 . A A . 39 CYS CB 1 1 9 6505 1 1 39 CYS H H 1.187 6.798 -4.015 1.00 . A A . 39 CYS H 1 1 9 6506 1 1 39 CYS HA H 2.323 4.643 -2.413 1.00 . A A . 39 CYS HA 1 1 9 6507 1 1 39 CYS HB2 H 1.561 3.815 -4.472 1.00 . A A . 39 CYS HB2 1 1 9 6508 1 1 39 CYS HB3 H 2.201 5.176 -5.371 1.00 . A A . 39 CYS HB3 1 1 9 6509 1 1 39 CYS N N 1.355 6.284 -3.175 1.00 . A A . 39 CYS N 1 1 9 6510 1 1 39 CYS O O 4.170 6.811 -4.038 1.00 . A A . 39 CYS O 1 1 9 6511 1 1 39 CYS SG S 3.920 3.554 -4.895 1.00 . A A . 39 CYS SG 1 1 9 6512 1 1 40 PRO C C 6.822 5.943 -2.428 1.00 . A A . 40 PRO C 1 1 9 6513 1 1 40 PRO CA C 5.675 6.610 -1.668 1.00 . A A . 40 PRO CA 1 1 9 6514 1 1 40 PRO CB C 5.847 6.547 -0.159 1.00 . A A . 40 PRO CB 1 1 9 6515 1 1 40 PRO CD C 3.966 5.109 -0.816 1.00 . A A . 40 PRO CD 1 1 9 6516 1 1 40 PRO CG C 4.918 5.443 0.320 1.00 . A A . 40 PRO CG 1 1 9 6517 1 1 40 PRO HA H 5.641 7.554 -1.997 1.00 . A A . 40 PRO HA 1 1 9 6518 1 1 40 PRO HB2 H 6.881 6.330 0.108 1.00 . A A . 40 PRO HB2 1 1 9 6519 1 1 40 PRO HB3 H 5.591 7.500 0.304 1.00 . A A . 40 PRO HB3 1 1 9 6520 1 1 40 PRO HD2 H 4.006 4.050 -1.069 1.00 . A A . 40 PRO HD2 1 1 9 6521 1 1 40 PRO HD3 H 2.933 5.333 -0.547 1.00 . A A . 40 PRO HD3 1 1 9 6522 1 1 40 PRO HG2 H 5.490 4.562 0.610 1.00 . A A . 40 PRO HG2 1 1 9 6523 1 1 40 PRO HG3 H 4.363 5.766 1.201 1.00 . A A . 40 PRO HG3 1 1 9 6524 1 1 40 PRO N N 4.414 5.938 -1.931 1.00 . A A . 40 PRO N 1 1 9 6525 1 1 40 PRO O O 7.885 5.692 -1.862 1.00 . A A . 40 PRO O 1 1 9 6526 1 1 41 VAL C C 7.536 5.682 -5.934 1.00 . A A . 41 VAL C 1 1 9 6527 1 1 41 VAL CA C 7.567 5.040 -4.545 1.00 . A A . 41 VAL CA 1 1 9 6528 1 1 41 VAL CB C 7.339 3.527 -4.580 1.00 . A A . 41 VAL CB 1 1 9 6529 1 1 41 VAL CG1 C 8.526 2.809 -5.225 1.00 . A A . 41 VAL CG1 1 1 9 6530 1 1 41 VAL CG2 C 7.063 2.982 -3.178 1.00 . A A . 41 VAL CG2 1 1 9 6531 1 1 41 VAL H H 5.702 5.881 -4.154 1.00 . A A . 41 VAL H 1 1 9 6532 1 1 41 VAL HA H 8.543 5.224 -4.096 1.00 . A A . 41 VAL HA 1 1 9 6533 1 1 41 VAL HB H 6.458 3.336 -5.193 1.00 . A A . 41 VAL HB 1 1 9 6534 1 1 41 VAL HG11 H 9.431 3.018 -4.655 1.00 . A A . 41 VAL HG11 1 1 9 6535 1 1 41 VAL HG12 H 8.340 1.735 -5.231 1.00 . A A . 41 VAL HG12 1 1 9 6536 1 1 41 VAL HG13 H 8.652 3.162 -6.249 1.00 . A A . 41 VAL HG13 1 1 9 6537 1 1 41 VAL HG21 H 5.988 2.954 -3.003 1.00 . A A . 41 VAL HG21 1 1 9 6538 1 1 41 VAL HG22 H 7.471 1.975 -3.093 1.00 . A A . 41 VAL HG22 1 1 9 6539 1 1 41 VAL HG23 H 7.535 3.628 -2.437 1.00 . A A . 41 VAL HG23 1 1 9 6540 1 1 41 VAL N N 6.569 5.674 -3.701 1.00 . A A . 41 VAL N 1 1 9 6541 1 1 41 VAL O O 8.579 6.027 -6.486 1.00 . A A . 41 VAL O 1 1 9 6542 1 1 42 CYS C C 5.277 7.666 -7.619 1.00 . A A . 42 CYS C 1 1 9 6543 1 1 42 CYS CA C 6.146 6.416 -7.772 1.00 . A A . 42 CYS CA 1 1 9 6544 1 1 42 CYS CB C 5.544 5.420 -8.765 1.00 . A A . 42 CYS CB 1 1 9 6545 1 1 42 CYS H H 5.483 5.539 -6.003 1.00 . A A . 42 CYS H 1 1 9 6546 1 1 42 CYS HA H 7.140 6.678 -8.137 1.00 . A A . 42 CYS HA 1 1 9 6547 1 1 42 CYS HB2 H 5.733 5.778 -9.777 1.00 . A A . 42 CYS HB2 1 1 9 6548 1 1 42 CYS HB3 H 6.062 4.467 -8.662 1.00 . A A . 42 CYS HB3 1 1 9 6549 1 1 42 CYS N N 6.327 5.822 -6.459 1.00 . A A . 42 CYS N 1 1 9 6550 1 1 42 CYS O O 5.589 8.716 -8.180 1.00 . A A . 42 CYS O 1 1 9 6551 1 1 42 CYS SG S 3.746 5.135 -8.571 1.00 . A A . 42 CYS SG 1 1 9 6552 1 1 43 GLY C C 1.835 8.137 -6.651 1.00 . A A . 43 GLY C 1 1 9 6553 1 1 43 GLY CA C 3.288 8.615 -6.622 1.00 . A A . 43 GLY CA 1 1 9 6554 1 1 43 GLY H H 3.959 6.655 -6.404 1.00 . A A . 43 GLY H 1 1 9 6555 1 1 43 GLY HA2 H 3.505 9.074 -5.657 1.00 . A A . 43 GLY HA2 1 1 9 6556 1 1 43 GLY HA3 H 3.437 9.383 -7.381 1.00 . A A . 43 GLY HA3 1 1 9 6557 1 1 43 GLY N N 4.205 7.512 -6.856 1.00 . A A . 43 GLY N 1 1 9 6558 1 1 43 GLY O O 1.004 8.618 -5.883 1.00 . A A . 43 GLY O 1 1 9 6559 1 1 44 ALA C C -0.503 6.769 -6.350 1.00 . A A . 44 ALA C 1 1 9 6560 1 1 44 ALA CA C 0.236 6.646 -7.684 1.00 . A A . 44 ALA CA 1 1 9 6561 1 1 44 ALA CB C 0.326 5.198 -8.169 1.00 . A A . 44 ALA CB 1 1 9 6562 1 1 44 ALA H H 2.256 6.809 -8.167 1.00 . A A . 44 ALA H 1 1 9 6563 1 1 44 ALA HA H -0.289 7.236 -8.436 1.00 . A A . 44 ALA HA 1 1 9 6564 1 1 44 ALA HB1 H 1.028 5.136 -9.001 1.00 . A A . 44 ALA HB1 1 1 9 6565 1 1 44 ALA HB2 H 0.671 4.562 -7.354 1.00 . A A . 44 ALA HB2 1 1 9 6566 1 1 44 ALA HB3 H -0.658 4.863 -8.499 1.00 . A A . 44 ALA HB3 1 1 9 6567 1 1 44 ALA N N 1.574 7.195 -7.545 1.00 . A A . 44 ALA N 1 1 9 6568 1 1 44 ALA O O 0.083 6.552 -5.290 1.00 . A A . 44 ALA O 1 1 9 6569 1 1 45 PRO C C -3.015 5.919 -4.676 1.00 . A A . 45 PRO C 1 1 9 6570 1 1 45 PRO CA C -2.636 7.281 -5.262 1.00 . A A . 45 PRO CA 1 1 9 6571 1 1 45 PRO CB C -3.840 8.086 -5.721 1.00 . A A . 45 PRO CB 1 1 9 6572 1 1 45 PRO CD C -2.538 7.391 -7.686 1.00 . A A . 45 PRO CD 1 1 9 6573 1 1 45 PRO CG C -3.876 7.954 -7.235 1.00 . A A . 45 PRO CG 1 1 9 6574 1 1 45 PRO HA H -2.125 7.754 -4.544 1.00 . A A . 45 PRO HA 1 1 9 6575 1 1 45 PRO HB2 H -4.758 7.705 -5.274 1.00 . A A . 45 PRO HB2 1 1 9 6576 1 1 45 PRO HB3 H -3.749 9.130 -5.422 1.00 . A A . 45 PRO HB3 1 1 9 6577 1 1 45 PRO HD2 H -2.669 6.481 -8.271 1.00 . A A . 45 PRO HD2 1 1 9 6578 1 1 45 PRO HD3 H -2.002 8.100 -8.316 1.00 . A A . 45 PRO HD3 1 1 9 6579 1 1 45 PRO HG2 H -4.690 7.297 -7.542 1.00 . A A . 45 PRO HG2 1 1 9 6580 1 1 45 PRO HG3 H -4.058 8.924 -7.699 1.00 . A A . 45 PRO HG3 1 1 9 6581 1 1 45 PRO N N -1.811 7.126 -6.448 1.00 . A A . 45 PRO N 1 1 9 6582 1 1 45 PRO O O -2.895 4.895 -5.348 1.00 . A A . 45 PRO O 1 1 9 6583 1 1 46 LYS C C -5.032 4.090 -3.497 1.00 . A A . 46 LYS C 1 1 9 6584 1 1 46 LYS CA C -3.863 4.732 -2.747 1.00 . A A . 46 LYS CA 1 1 9 6585 1 1 46 LYS CB C -4.160 5.016 -1.273 1.00 . A A . 46 LYS CB 1 1 9 6586 1 1 46 LYS CD C -5.841 5.976 0.343 1.00 . A A . 46 LYS CD 1 1 9 6587 1 1 46 LYS CE C -6.662 4.968 1.149 1.00 . A A . 46 LYS CE 1 1 9 6588 1 1 46 LYS CG C -5.607 5.476 -1.084 1.00 . A A . 46 LYS CG 1 1 9 6589 1 1 46 LYS H H -3.560 6.788 -2.891 1.00 . A A . 46 LYS H 1 1 9 6590 1 1 46 LYS HA H -3.015 4.048 -2.779 1.00 . A A . 46 LYS HA 1 1 9 6591 1 1 46 LYS HB2 H -3.980 4.118 -0.682 1.00 . A A . 46 LYS HB2 1 1 9 6592 1 1 46 LYS HB3 H -3.479 5.782 -0.903 1.00 . A A . 46 LYS HB3 1 1 9 6593 1 1 46 LYS HD2 H -4.883 6.146 0.834 1.00 . A A . 46 LYS HD2 1 1 9 6594 1 1 46 LYS HD3 H -6.360 6.935 0.316 1.00 . A A . 46 LYS HD3 1 1 9 6595 1 1 46 LYS HE2 H -7.713 5.256 1.140 1.00 . A A . 46 LYS HE2 1 1 9 6596 1 1 46 LYS HE3 H -6.597 3.984 0.686 1.00 . A A . 46 LYS HE3 1 1 9 6597 1 1 46 LYS HG2 H -5.835 6.271 -1.794 1.00 . A A . 46 LYS HG2 1 1 9 6598 1 1 46 LYS HG3 H -6.286 4.652 -1.300 1.00 . A A . 46 LYS HG3 1 1 9 6599 1 1 46 LYS HZ1 H -6.538 4.091 3.036 1.00 . A A . 46 LYS HZ1 1 1 9 6600 1 1 46 LYS HZ3 H -6.441 5.716 3.082 1.00 . A A . 46 LYS HZ3 1 1 9 6601 1 1 46 LYS N N -3.465 5.951 -3.430 1.00 . A A . 46 LYS N 1 1 9 6602 1 1 46 LYS NZ N -6.173 4.899 2.544 1.00 . A A . 46 LYS NZ 1 1 9 6603 1 1 46 LYS O O -5.312 2.906 -3.320 1.00 . A A . 46 LYS O 1 1 9 6604 1 1 47 SER C C -6.328 3.532 -6.238 1.00 . A A . 47 SER C 1 1 9 6605 1 1 47 SER CA C -6.815 4.427 -5.096 1.00 . A A . 47 SER CA 1 1 9 6606 1 1 47 SER CB C -7.631 5.597 -5.650 1.00 . A A . 47 SER CB 1 1 9 6607 1 1 47 SER H H -5.448 5.863 -4.457 1.00 . A A . 47 SER H 1 1 9 6608 1 1 47 SER HA H -7.427 3.857 -4.397 1.00 . A A . 47 SER HA 1 1 9 6609 1 1 47 SER HB2 H -7.191 6.536 -5.315 1.00 . A A . 47 SER HB2 1 1 9 6610 1 1 47 SER HB3 H -7.581 5.591 -6.738 1.00 . A A . 47 SER HB3 1 1 9 6611 1 1 47 SER HG H -9.267 4.588 -5.091 1.00 . A A . 47 SER HG 1 1 9 6612 1 1 47 SER N N -5.683 4.901 -4.319 1.00 . A A . 47 SER N 1 1 9 6613 1 1 47 SER O O -7.132 2.897 -6.919 1.00 . A A . 47 SER O 1 1 9 6614 1 1 47 SER OG O -8.994 5.539 -5.238 1.00 . A A . 47 SER OG 1 1 9 6615 1 1 48 GLU C C -3.692 1.498 -6.853 1.00 . A A . 48 GLU C 1 1 9 6616 1 1 48 GLU CA C -4.412 2.705 -7.459 1.00 . A A . 48 GLU CA 1 1 9 6617 1 1 48 GLU CB C -3.456 3.541 -8.313 1.00 . A A . 48 GLU CB 1 1 9 6618 1 1 48 GLU CD C -3.404 5.258 -10.159 1.00 . A A . 48 GLU CD 1 1 9 6619 1 1 48 GLU CG C -4.187 4.718 -8.961 1.00 . A A . 48 GLU CG 1 1 9 6620 1 1 48 GLU H H -4.369 4.031 -5.853 1.00 . A A . 48 GLU H 1 1 9 6621 1 1 48 GLU HA H -5.242 2.367 -8.079 1.00 . A A . 48 GLU HA 1 1 9 6622 1 1 48 GLU HB2 H -2.639 3.911 -7.694 1.00 . A A . 48 GLU HB2 1 1 9 6623 1 1 48 GLU HB3 H -3.011 2.915 -9.086 1.00 . A A . 48 GLU HB3 1 1 9 6624 1 1 48 GLU HE2 H -2.676 6.993 -10.230 1.00 . A A . 48 GLU HE2 1 1 9 6625 1 1 48 GLU HG2 H -5.179 4.402 -9.283 1.00 . A A . 48 GLU HG2 1 1 9 6626 1 1 48 GLU HG3 H -4.328 5.512 -8.227 1.00 . A A . 48 GLU HG3 1 1 9 6627 1 1 48 GLU N N -5.015 3.511 -6.412 1.00 . A A . 48 GLU N 1 1 9 6628 1 1 48 GLU O O -2.650 1.077 -7.352 1.00 . A A . 48 GLU O 1 1 9 6629 1 1 48 GLU OE1 O -2.701 4.492 -10.836 1.00 . A A . 48 GLU OE1 1 1 9 6630 1 1 48 GLU OE2 O -3.545 6.521 -10.379 1.00 . A A . 48 GLU OE2 1 1 9 6631 1 1 49 PHE C C -4.649 -1.375 -5.172 1.00 . A A . 49 PHE C 1 1 9 6632 1 1 49 PHE CA C -3.705 -0.173 -5.104 1.00 . A A . 49 PHE CA 1 1 9 6633 1 1 49 PHE CB C -3.510 0.225 -3.640 1.00 . A A . 49 PHE CB 1 1 9 6634 1 1 49 PHE CD1 C -1.583 1.816 -3.463 1.00 . A A . 49 PHE CD1 1 1 9 6635 1 1 49 PHE CD2 C -1.253 -0.407 -2.757 1.00 . A A . 49 PHE CD2 1 1 9 6636 1 1 49 PHE CE1 C -0.239 2.123 -3.122 1.00 . A A . 49 PHE CE1 1 1 9 6637 1 1 49 PHE CE2 C 0.091 -0.100 -2.417 1.00 . A A . 49 PHE CE2 1 1 9 6638 1 1 49 PHE CG C -2.062 0.557 -3.273 1.00 . A A . 49 PHE CG 1 1 9 6639 1 1 49 PHE CZ C 0.569 1.159 -2.607 1.00 . A A . 49 PHE CZ 1 1 9 6640 1 1 49 PHE H H -5.125 1.326 -5.384 1.00 . A A . 49 PHE H 1 1 9 6641 1 1 49 PHE HA H -2.771 -0.417 -5.611 1.00 . A A . 49 PHE HA 1 1 9 6642 1 1 49 PHE HB2 H -4.136 1.091 -3.423 1.00 . A A . 49 PHE HB2 1 1 9 6643 1 1 49 PHE HB3 H -3.858 -0.588 -3.003 1.00 . A A . 49 PHE HB3 1 1 9 6644 1 1 49 PHE HD1 H -2.231 2.589 -3.876 1.00 . A A . 49 PHE HD1 1 1 9 6645 1 1 49 PHE HD2 H -1.637 -1.416 -2.606 1.00 . A A . 49 PHE HD2 1 1 9 6646 1 1 49 PHE HE1 H 0.144 3.132 -3.274 1.00 . A A . 49 PHE HE1 1 1 9 6647 1 1 49 PHE HE2 H 0.739 -0.873 -2.004 1.00 . A A . 49 PHE HE2 1 1 9 6648 1 1 49 PHE HZ H 1.601 1.395 -2.345 1.00 . A A . 49 PHE HZ 1 1 9 6649 1 1 49 PHE N N -4.277 0.977 -5.784 1.00 . A A . 49 PHE N 1 1 9 6650 1 1 49 PHE O O -5.856 -1.233 -4.987 1.00 . A A . 49 PHE O 1 1 9 6651 1 1 50 GLU C C -4.180 -4.865 -4.700 1.00 . A A . 50 GLU C 1 1 9 6652 1 1 50 GLU CA C -4.835 -3.760 -5.531 1.00 . A A . 50 GLU CA 1 1 9 6653 1 1 50 GLU CB C -4.999 -4.194 -6.989 1.00 . A A . 50 GLU CB 1 1 9 6654 1 1 50 GLU CD C -3.749 -4.936 -9.050 1.00 . A A . 50 GLU CD 1 1 9 6655 1 1 50 GLU CG C -3.707 -4.814 -7.525 1.00 . A A . 50 GLU CG 1 1 9 6656 1 1 50 GLU H H -3.079 -2.641 -5.586 1.00 . A A . 50 GLU H 1 1 9 6657 1 1 50 GLU HA H -5.814 -3.518 -5.118 1.00 . A A . 50 GLU HA 1 1 9 6658 1 1 50 GLU HB2 H -5.813 -4.915 -7.068 1.00 . A A . 50 GLU HB2 1 1 9 6659 1 1 50 GLU HB3 H -5.274 -3.334 -7.599 1.00 . A A . 50 GLU HB3 1 1 9 6660 1 1 50 GLU HE2 H -4.949 -5.737 -10.260 1.00 . A A . 50 GLU HE2 1 1 9 6661 1 1 50 GLU HG2 H -2.855 -4.201 -7.230 1.00 . A A . 50 GLU HG2 1 1 9 6662 1 1 50 GLU HG3 H -3.561 -5.799 -7.082 1.00 . A A . 50 GLU HG3 1 1 9 6663 1 1 50 GLU N N -4.062 -2.533 -5.437 1.00 . A A . 50 GLU N 1 1 9 6664 1 1 50 GLU O O -2.968 -4.854 -4.491 1.00 . A A . 50 GLU O 1 1 9 6665 1 1 50 GLU OE1 O -3.224 -4.063 -9.757 1.00 . A A . 50 GLU OE1 1 1 9 6666 1 1 50 GLU OE2 O -4.353 -5.985 -9.496 1.00 . A A . 50 GLU OE2 1 1 9 6667 1 1 51 ALA C C -3.972 -7.991 -4.368 1.00 . A A . 51 ALA C 1 1 9 6668 1 1 51 ALA CA C -4.527 -6.904 -3.446 1.00 . A A . 51 ALA CA 1 1 9 6669 1 1 51 ALA CB C -5.658 -7.418 -2.553 1.00 . A A . 51 ALA CB 1 1 9 6670 1 1 51 ALA H H -5.995 -5.795 -4.424 1.00 . A A . 51 ALA H 1 1 9 6671 1 1 51 ALA HA H -3.723 -6.530 -2.813 1.00 . A A . 51 ALA HA 1 1 9 6672 1 1 51 ALA HB1 H -6.617 -7.232 -3.037 1.00 . A A . 51 ALA HB1 1 1 9 6673 1 1 51 ALA HB2 H -5.535 -8.489 -2.392 1.00 . A A . 51 ALA HB2 1 1 9 6674 1 1 51 ALA HB3 H -5.629 -6.901 -1.594 1.00 . A A . 51 ALA HB3 1 1 9 6675 1 1 51 ALA N N -5.011 -5.793 -4.249 1.00 . A A . 51 ALA N 1 1 9 6676 1 1 51 ALA O O -4.717 -8.603 -5.131 1.00 . A A . 51 ALA O 1 1 9 6677 1 1 52 ALA C C -0.804 -9.762 -4.316 1.00 . A A . 52 ALA C 1 1 9 6678 1 1 52 ALA CA C -2.003 -9.200 -5.082 1.00 . A A . 52 ALA CA 1 1 9 6679 1 1 52 ALA CB C -1.601 -8.583 -6.423 1.00 . A A . 52 ALA CB 1 1 9 6680 1 1 52 ALA H H -2.068 -7.696 -3.644 1.00 . A A . 52 ALA H 1 1 9 6681 1 1 52 ALA HA H -2.716 -10.004 -5.266 1.00 . A A . 52 ALA HA 1 1 9 6682 1 1 52 ALA HB1 H -2.494 -8.253 -6.954 1.00 . A A . 52 ALA HB1 1 1 9 6683 1 1 52 ALA HB2 H -0.946 -7.730 -6.249 1.00 . A A . 52 ALA HB2 1 1 9 6684 1 1 52 ALA HB3 H -1.076 -9.327 -7.023 1.00 . A A . 52 ALA HB3 1 1 9 6685 1 1 52 ALA N N -2.667 -8.198 -4.267 1.00 . A A . 52 ALA N 1 1 9 6686 1 1 52 ALA O O -0.865 -9.933 -3.099 1.00 . A A . 52 ALA O 1 1 9 6687 2 2 1 NI NI NI 3.689 3.130 -7.252 1.00 . B A . 53 NI NI 1 1 10 6688 1 1 1 MET C C -2.980 -10.689 5.651 1.00 . A A . 1 MET C 1 1 10 6689 1 1 1 MET CA C -2.847 -10.679 7.176 1.00 . A A . 1 MET CA 1 1 10 6690 1 1 1 MET CB C -3.144 -9.274 7.705 1.00 . A A . 1 MET CB 1 1 10 6691 1 1 1 MET CE C -3.907 -6.656 9.454 1.00 . A A . 1 MET CE 1 1 10 6692 1 1 1 MET CG C -4.083 -9.331 8.912 1.00 . A A . 1 MET CG 1 1 10 6693 1 1 1 MET H1 H -1.162 -10.616 8.399 1.00 . A A . 1 MET H1 1 1 10 6694 1 1 1 MET HA H -3.519 -11.418 7.611 1.00 . A A . 1 MET HA 1 1 10 6695 1 1 1 MET HB2 H -2.213 -8.784 7.987 1.00 . A A . 1 MET HB2 1 1 10 6696 1 1 1 MET HB3 H -3.596 -8.673 6.916 1.00 . A A . 1 MET HB3 1 1 10 6697 1 1 1 MET HE1 H -4.991 -6.540 9.420 1.00 . A A . 1 MET HE1 1 1 10 6698 1 1 1 MET HE2 H -3.474 -5.853 10.050 1.00 . A A . 1 MET HE2 1 1 10 6699 1 1 1 MET HE3 H -3.506 -6.614 8.441 1.00 . A A . 1 MET HE3 1 1 10 6700 1 1 1 MET HG2 H -5.093 -9.050 8.611 1.00 . A A . 1 MET HG2 1 1 10 6701 1 1 1 MET HG3 H -4.136 -10.350 9.294 1.00 . A A . 1 MET HG3 1 1 10 6702 1 1 1 MET N N -1.511 -11.078 7.584 1.00 . A A . 1 MET N 1 1 10 6703 1 1 1 MET O O -3.437 -11.672 5.071 1.00 . A A . 1 MET O 1 1 10 6704 1 1 1 MET SD S -3.501 -8.230 10.191 1.00 . A A . 1 MET SD 1 1 10 6705 1 1 2 LYS C C -2.023 -8.116 3.184 1.00 . A A . 2 LYS C 1 1 10 6706 1 1 2 LYS CA C -2.641 -9.452 3.601 1.00 . A A . 2 LYS CA 1 1 10 6707 1 1 2 LYS CB C -4.078 -9.643 3.113 1.00 . A A . 2 LYS CB 1 1 10 6708 1 1 2 LYS CD C -4.993 -7.356 2.572 1.00 . A A . 2 LYS CD 1 1 10 6709 1 1 2 LYS CE C -6.416 -7.075 2.087 1.00 . A A . 2 LYS CE 1 1 10 6710 1 1 2 LYS CG C -4.976 -8.499 3.589 1.00 . A A . 2 LYS CG 1 1 10 6711 1 1 2 LYS H H -2.202 -8.787 5.526 1.00 . A A . 2 LYS H 1 1 10 6712 1 1 2 LYS HA H -2.045 -10.257 3.171 1.00 . A A . 2 LYS HA 1 1 10 6713 1 1 2 LYS HB2 H -4.094 -9.693 2.024 1.00 . A A . 2 LYS HB2 1 1 10 6714 1 1 2 LYS HB3 H -4.468 -10.593 3.480 1.00 . A A . 2 LYS HB3 1 1 10 6715 1 1 2 LYS HD2 H -4.574 -6.457 3.023 1.00 . A A . 2 LYS HD2 1 1 10 6716 1 1 2 LYS HD3 H -4.359 -7.611 1.722 1.00 . A A . 2 LYS HD3 1 1 10 6717 1 1 2 LYS HE2 H -6.384 -6.552 1.130 1.00 . A A . 2 LYS HE2 1 1 10 6718 1 1 2 LYS HE3 H -6.942 -8.015 1.919 1.00 . A A . 2 LYS HE3 1 1 10 6719 1 1 2 LYS HG2 H -5.990 -8.868 3.743 1.00 . A A . 2 LYS HG2 1 1 10 6720 1 1 2 LYS HG3 H -4.621 -8.130 4.551 1.00 . A A . 2 LYS HG3 1 1 10 6721 1 1 2 LYS HZ1 H -6.876 -6.481 4.030 1.00 . A A . 2 LYS HZ1 1 1 10 6722 1 1 2 LYS HZ3 H -8.153 -6.402 3.022 1.00 . A A . 2 LYS HZ3 1 1 10 6723 1 1 2 LYS N N -2.573 -9.583 5.046 1.00 . A A . 2 LYS N 1 1 10 6724 1 1 2 LYS NZ N -7.150 -6.259 3.079 1.00 . A A . 2 LYS NZ 1 1 10 6725 1 1 2 LYS O O -2.246 -7.095 3.834 1.00 . A A . 2 LYS O 1 1 10 6726 1 1 3 LYS C C -0.995 -6.772 0.126 1.00 . A A . 3 LYS C 1 1 10 6727 1 1 3 LYS CA C -0.607 -6.971 1.592 1.00 . A A . 3 LYS CA 1 1 10 6728 1 1 3 LYS CB C 0.903 -7.044 1.825 1.00 . A A . 3 LYS CB 1 1 10 6729 1 1 3 LYS CD C 1.914 -9.232 2.567 1.00 . A A . 3 LYS CD 1 1 10 6730 1 1 3 LYS CE C 0.885 -10.316 2.894 1.00 . A A . 3 LYS CE 1 1 10 6731 1 1 3 LYS CG C 1.464 -8.393 1.369 1.00 . A A . 3 LYS CG 1 1 10 6732 1 1 3 LYS H H -1.083 -8.999 1.580 1.00 . A A . 3 LYS H 1 1 10 6733 1 1 3 LYS HA H -0.981 -6.124 2.167 1.00 . A A . 3 LYS HA 1 1 10 6734 1 1 3 LYS HB2 H 1.398 -6.239 1.282 1.00 . A A . 3 LYS HB2 1 1 10 6735 1 1 3 LYS HB3 H 1.120 -6.895 2.883 1.00 . A A . 3 LYS HB3 1 1 10 6736 1 1 3 LYS HD2 H 2.877 -9.693 2.351 1.00 . A A . 3 LYS HD2 1 1 10 6737 1 1 3 LYS HD3 H 2.056 -8.588 3.434 1.00 . A A . 3 LYS HD3 1 1 10 6738 1 1 3 LYS HE2 H 1.194 -10.862 3.786 1.00 . A A . 3 LYS HE2 1 1 10 6739 1 1 3 LYS HE3 H -0.077 -9.857 3.119 1.00 . A A . 3 LYS HE3 1 1 10 6740 1 1 3 LYS HG2 H 0.704 -8.935 0.806 1.00 . A A . 3 LYS HG2 1 1 10 6741 1 1 3 LYS HG3 H 2.306 -8.232 0.696 1.00 . A A . 3 LYS HG3 1 1 10 6742 1 1 3 LYS HZ1 H 1.240 -12.122 1.915 1.00 . A A . 3 LYS HZ1 1 1 10 6743 1 1 3 LYS HZ3 H 1.099 -10.861 0.894 1.00 . A A . 3 LYS HZ3 1 1 10 6744 1 1 3 LYS N N -1.259 -8.165 2.103 1.00 . A A . 3 LYS N 1 1 10 6745 1 1 3 LYS NZ N 0.741 -11.253 1.758 1.00 . A A . 3 LYS NZ 1 1 10 6746 1 1 3 LYS O O -1.321 -7.732 -0.570 1.00 . A A . 3 LYS O 1 1 10 6747 1 1 4 TYR C C -0.043 -4.766 -2.461 1.00 . A A . 4 TYR C 1 1 10 6748 1 1 4 TYR CA C -1.287 -5.181 -1.673 1.00 . A A . 4 TYR CA 1 1 10 6749 1 1 4 TYR CB C -2.243 -3.990 -1.588 1.00 . A A . 4 TYR CB 1 1 10 6750 1 1 4 TYR CD1 C -2.366 -3.337 0.845 1.00 . A A . 4 TYR CD1 1 1 10 6751 1 1 4 TYR CD2 C -4.291 -4.339 -0.158 1.00 . A A . 4 TYR CD2 1 1 10 6752 1 1 4 TYR CE1 C -3.069 -3.239 2.097 1.00 . A A . 4 TYR CE1 1 1 10 6753 1 1 4 TYR CE2 C -4.994 -4.241 1.094 1.00 . A A . 4 TYR CE2 1 1 10 6754 1 1 4 TYR CG C -2.991 -3.885 -0.257 1.00 . A A . 4 TYR CG 1 1 10 6755 1 1 4 TYR CZ C -4.349 -3.696 2.160 1.00 . A A . 4 TYR CZ 1 1 10 6756 1 1 4 TYR H H -0.679 -4.743 0.271 1.00 . A A . 4 TYR H 1 1 10 6757 1 1 4 TYR HA H -1.725 -6.064 -2.137 1.00 . A A . 4 TYR HA 1 1 10 6758 1 1 4 TYR HB2 H -1.679 -3.071 -1.749 1.00 . A A . 4 TYR HB2 1 1 10 6759 1 1 4 TYR HB3 H -2.971 -4.062 -2.396 1.00 . A A . 4 TYR HB3 1 1 10 6760 1 1 4 TYR HD1 H -1.339 -2.979 0.767 1.00 . A A . 4 TYR HD1 1 1 10 6761 1 1 4 TYR HD2 H -4.785 -4.771 -1.028 1.00 . A A . 4 TYR HD2 1 1 10 6762 1 1 4 TYR HE1 H -2.587 -2.809 2.975 1.00 . A A . 4 TYR HE1 1 1 10 6763 1 1 4 TYR HE2 H -6.021 -4.595 1.186 1.00 . A A . 4 TYR HE2 1 1 10 6764 1 1 4 TYR HH H -4.376 -3.723 4.104 1.00 . A A . 4 TYR HH 1 1 10 6765 1 1 4 TYR N N -0.945 -5.518 -0.301 1.00 . A A . 4 TYR N 1 1 10 6766 1 1 4 TYR O O 1.080 -4.925 -1.986 1.00 . A A . 4 TYR O 1 1 10 6767 1 1 4 TYR OH O -5.014 -3.603 3.343 1.00 . A A . 4 TYR OH 1 1 10 6768 1 1 5 VAL C C 0.300 -2.686 -5.431 1.00 . A A . 5 VAL C 1 1 10 6769 1 1 5 VAL CA C 0.801 -3.803 -4.513 1.00 . A A . 5 VAL CA 1 1 10 6770 1 1 5 VAL CB C 1.375 -4.995 -5.281 1.00 . A A . 5 VAL CB 1 1 10 6771 1 1 5 VAL CG1 C 2.328 -4.529 -6.383 1.00 . A A . 5 VAL CG1 1 1 10 6772 1 1 5 VAL CG2 C 2.069 -5.975 -4.333 1.00 . A A . 5 VAL CG2 1 1 10 6773 1 1 5 VAL H H -1.202 -4.115 -4.033 1.00 . A A . 5 VAL H 1 1 10 6774 1 1 5 VAL HA H 1.587 -3.404 -3.872 1.00 . A A . 5 VAL HA 1 1 10 6775 1 1 5 VAL HB H 0.545 -5.519 -5.755 1.00 . A A . 5 VAL HB 1 1 10 6776 1 1 5 VAL HG11 H 2.487 -5.341 -7.093 1.00 . A A . 5 VAL HG11 1 1 10 6777 1 1 5 VAL HG12 H 1.895 -3.673 -6.901 1.00 . A A . 5 VAL HG12 1 1 10 6778 1 1 5 VAL HG13 H 3.282 -4.242 -5.941 1.00 . A A . 5 VAL HG13 1 1 10 6779 1 1 5 VAL HG21 H 2.524 -6.779 -4.911 1.00 . A A . 5 VAL HG21 1 1 10 6780 1 1 5 VAL HG22 H 2.841 -5.450 -3.770 1.00 . A A . 5 VAL HG22 1 1 10 6781 1 1 5 VAL HG23 H 1.337 -6.393 -3.643 1.00 . A A . 5 VAL HG23 1 1 10 6782 1 1 5 VAL N N -0.286 -4.242 -3.654 1.00 . A A . 5 VAL N 1 1 10 6783 1 1 5 VAL O O -0.791 -2.780 -5.991 1.00 . A A . 5 VAL O 1 1 10 6784 1 1 6 CYS C C 0.723 -0.996 -7.849 1.00 . A A . 6 CYS C 1 1 10 6785 1 1 6 CYS CA C 0.775 -0.519 -6.396 1.00 . A A . 6 CYS CA 1 1 10 6786 1 1 6 CYS CB C 1.754 0.642 -6.210 1.00 . A A . 6 CYS CB 1 1 10 6787 1 1 6 CYS H H 2.007 -1.584 -5.096 1.00 . A A . 6 CYS H 1 1 10 6788 1 1 6 CYS HA H -0.205 -0.173 -6.067 1.00 . A A . 6 CYS HA 1 1 10 6789 1 1 6 CYS HB2 H 1.577 1.096 -5.236 1.00 . A A . 6 CYS HB2 1 1 10 6790 1 1 6 CYS HB3 H 2.769 0.244 -6.197 1.00 . A A . 6 CYS HB3 1 1 10 6791 1 1 6 CYS N N 1.121 -1.653 -5.556 1.00 . A A . 6 CYS N 1 1 10 6792 1 1 6 CYS O O 1.571 -1.776 -8.280 1.00 . A A . 6 CYS O 1 1 10 6793 1 1 6 CYS SG S 1.652 1.944 -7.492 1.00 . A A . 6 CYS SG 1 1 10 6794 1 1 7 THR C C 0.521 -0.088 -10.841 1.00 . A A . 7 THR C 1 1 10 6795 1 1 7 THR CA C -0.453 -0.873 -9.959 1.00 . A A . 7 THR CA 1 1 10 6796 1 1 7 THR CB C -1.921 -0.651 -10.327 1.00 . A A . 7 THR CB 1 1 10 6797 1 1 7 THR CG2 C -2.878 -1.396 -9.394 1.00 . A A . 7 THR CG2 1 1 10 6798 1 1 7 THR H H -0.964 0.128 -8.205 1.00 . A A . 7 THR H 1 1 10 6799 1 1 7 THR HA H -0.205 -1.928 -10.070 1.00 . A A . 7 THR HA 1 1 10 6800 1 1 7 THR HB H -2.106 -0.917 -11.368 1.00 . A A . 7 THR HB 1 1 10 6801 1 1 7 THR HG1 H -2.075 1.270 -10.867 1.00 . A A . 7 THR HG1 1 1 10 6802 1 1 7 THR HG21 H -2.466 -1.406 -8.385 1.00 . A A . 7 THR HG21 1 1 10 6803 1 1 7 THR HG22 H -3.844 -0.892 -9.387 1.00 . A A . 7 THR HG22 1 1 10 6804 1 1 7 THR HG23 H -3.005 -2.419 -9.746 1.00 . A A . 7 THR HG23 1 1 10 6805 1 1 7 THR N N -0.279 -0.507 -8.563 1.00 . A A . 7 THR N 1 1 10 6806 1 1 7 THR O O 1.296 -0.677 -11.592 1.00 . A A . 7 THR O 1 1 10 6807 1 1 7 THR OG1 O -2.149 0.725 -10.032 1.00 . A A . 7 THR OG1 1 1 10 6808 1 1 8 VAL C C 2.713 1.489 -11.570 1.00 . A A . 8 VAL C 1 1 10 6809 1 1 8 VAL CA C 1.313 2.101 -11.497 1.00 . A A . 8 VAL CA 1 1 10 6810 1 1 8 VAL CB C 1.306 3.510 -10.902 1.00 . A A . 8 VAL CB 1 1 10 6811 1 1 8 VAL CG1 C 2.324 4.408 -11.607 1.00 . A A . 8 VAL CG1 1 1 10 6812 1 1 8 VAL CG2 C -0.095 4.122 -10.956 1.00 . A A . 8 VAL CG2 1 1 10 6813 1 1 8 VAL H H -0.186 1.701 -10.106 1.00 . A A . 8 VAL H 1 1 10 6814 1 1 8 VAL HA H 0.902 2.158 -12.505 1.00 . A A . 8 VAL HA 1 1 10 6815 1 1 8 VAL HB H 1.597 3.433 -9.854 1.00 . A A . 8 VAL HB 1 1 10 6816 1 1 8 VAL HG11 H 2.325 4.187 -12.675 1.00 . A A . 8 VAL HG11 1 1 10 6817 1 1 8 VAL HG12 H 2.056 5.453 -11.453 1.00 . A A . 8 VAL HG12 1 1 10 6818 1 1 8 VAL HG13 H 3.317 4.224 -11.198 1.00 . A A . 8 VAL HG13 1 1 10 6819 1 1 8 VAL HG21 H -0.760 3.567 -10.294 1.00 . A A . 8 VAL HG21 1 1 10 6820 1 1 8 VAL HG22 H -0.050 5.163 -10.636 1.00 . A A . 8 VAL HG22 1 1 10 6821 1 1 8 VAL HG23 H -0.474 4.072 -11.977 1.00 . A A . 8 VAL HG23 1 1 10 6822 1 1 8 VAL N N 0.448 1.229 -10.720 1.00 . A A . 8 VAL N 1 1 10 6823 1 1 8 VAL O O 3.123 0.991 -12.617 1.00 . A A . 8 VAL O 1 1 10 6824 1 1 9 CYS C C 4.673 -0.399 -9.762 1.00 . A A . 9 CYS C 1 1 10 6825 1 1 9 CYS CA C 4.755 1.004 -10.367 1.00 . A A . 9 CYS CA 1 1 10 6826 1 1 9 CYS CB C 5.687 1.917 -9.567 1.00 . A A . 9 CYS CB 1 1 10 6827 1 1 9 CYS H H 3.068 1.953 -9.596 1.00 . A A . 9 CYS H 1 1 10 6828 1 1 9 CYS HA H 5.135 0.965 -11.387 1.00 . A A . 9 CYS HA 1 1 10 6829 1 1 9 CYS HB2 H 6.709 1.764 -9.916 1.00 . A A . 9 CYS HB2 1 1 10 6830 1 1 9 CYS HB3 H 5.429 2.954 -9.782 1.00 . A A . 9 CYS HB3 1 1 10 6831 1 1 9 CYS N N 3.409 1.547 -10.443 1.00 . A A . 9 CYS N 1 1 10 6832 1 1 9 CYS O O 3.637 -1.055 -9.846 1.00 . A A . 9 CYS O 1 1 10 6833 1 1 9 CYS SG S 5.641 1.664 -7.756 1.00 . A A . 9 CYS SG 1 1 10 6834 1 1 10 GLY C C 6.200 -2.020 -7.064 1.00 . A A . 10 GLY C 1 1 10 6835 1 1 10 GLY CA C 5.848 -2.130 -8.549 1.00 . A A . 10 GLY CA 1 1 10 6836 1 1 10 GLY H H 6.620 -0.277 -9.104 1.00 . A A . 10 GLY H 1 1 10 6837 1 1 10 GLY HA2 H 4.891 -2.639 -8.663 1.00 . A A . 10 GLY HA2 1 1 10 6838 1 1 10 GLY HA3 H 6.595 -2.738 -9.059 1.00 . A A . 10 GLY HA3 1 1 10 6839 1 1 10 GLY N N 5.781 -0.817 -9.167 1.00 . A A . 10 GLY N 1 1 10 6840 1 1 10 GLY O O 7.266 -2.463 -6.641 1.00 . A A . 10 GLY O 1 1 10 6841 1 1 11 TYR C C 4.517 -2.132 -4.086 1.00 . A A . 11 TYR C 1 1 10 6842 1 1 11 TYR CA C 5.482 -1.253 -4.885 1.00 . A A . 11 TYR CA 1 1 10 6843 1 1 11 TYR CB C 5.176 0.217 -4.593 1.00 . A A . 11 TYR CB 1 1 10 6844 1 1 11 TYR CD1 C 6.709 0.428 -2.602 1.00 . A A . 11 TYR CD1 1 1 10 6845 1 1 11 TYR CD2 C 4.464 1.223 -2.393 1.00 . A A . 11 TYR CD2 1 1 10 6846 1 1 11 TYR CE1 C 6.975 0.822 -1.243 1.00 . A A . 11 TYR CE1 1 1 10 6847 1 1 11 TYR CE2 C 4.731 1.617 -1.034 1.00 . A A . 11 TYR CE2 1 1 10 6848 1 1 11 TYR CG C 5.459 0.636 -3.149 1.00 . A A . 11 TYR CG 1 1 10 6849 1 1 11 TYR CZ C 5.973 1.397 -0.526 1.00 . A A . 11 TYR CZ 1 1 10 6850 1 1 11 TYR H H 4.417 -1.070 -6.667 1.00 . A A . 11 TYR H 1 1 10 6851 1 1 11 TYR HA H 6.506 -1.544 -4.651 1.00 . A A . 11 TYR HA 1 1 10 6852 1 1 11 TYR HB2 H 5.766 0.841 -5.264 1.00 . A A . 11 TYR HB2 1 1 10 6853 1 1 11 TYR HB3 H 4.127 0.411 -4.818 1.00 . A A . 11 TYR HB3 1 1 10 6854 1 1 11 TYR HD1 H 7.494 -0.035 -3.200 1.00 . A A . 11 TYR HD1 1 1 10 6855 1 1 11 TYR HD2 H 3.477 1.387 -2.825 1.00 . A A . 11 TYR HD2 1 1 10 6856 1 1 11 TYR HE1 H 7.958 0.664 -0.800 1.00 . A A . 11 TYR HE1 1 1 10 6857 1 1 11 TYR HE2 H 3.954 2.081 -0.426 1.00 . A A . 11 TYR HE2 1 1 10 6858 1 1 11 TYR HH H 6.470 2.739 0.790 1.00 . A A . 11 TYR HH 1 1 10 6859 1 1 11 TYR N N 5.282 -1.427 -6.314 1.00 . A A . 11 TYR N 1 1 10 6860 1 1 11 TYR O O 3.465 -2.521 -4.589 1.00 . A A . 11 TYR O 1 1 10 6861 1 1 11 TYR OH O 6.225 1.770 0.757 1.00 . A A . 11 TYR OH 1 1 10 6862 1 1 12 GLU C C 4.048 -2.642 -0.574 1.00 . A A . 12 GLU C 1 1 10 6863 1 1 12 GLU CA C 4.095 -3.243 -1.980 1.00 . A A . 12 GLU CA 1 1 10 6864 1 1 12 GLU CB C 4.613 -4.683 -1.944 1.00 . A A . 12 GLU CB 1 1 10 6865 1 1 12 GLU CD C 6.581 -6.162 -1.399 1.00 . A A . 12 GLU CD 1 1 10 6866 1 1 12 GLU CG C 6.001 -4.750 -1.303 1.00 . A A . 12 GLU CG 1 1 10 6867 1 1 12 GLU H H 5.769 -2.098 -2.452 1.00 . A A . 12 GLU H 1 1 10 6868 1 1 12 GLU HA H 3.098 -3.234 -2.421 1.00 . A A . 12 GLU HA 1 1 10 6869 1 1 12 GLU HB2 H 3.919 -5.309 -1.383 1.00 . A A . 12 GLU HB2 1 1 10 6870 1 1 12 GLU HB3 H 4.656 -5.083 -2.956 1.00 . A A . 12 GLU HB3 1 1 10 6871 1 1 12 GLU HE2 H 8.443 -6.443 -1.358 1.00 . A A . 12 GLU HE2 1 1 10 6872 1 1 12 GLU HG2 H 6.668 -4.044 -1.798 1.00 . A A . 12 GLU HG2 1 1 10 6873 1 1 12 GLU HG3 H 5.938 -4.449 -0.258 1.00 . A A . 12 GLU HG3 1 1 10 6874 1 1 12 GLU N N 4.912 -2.418 -2.854 1.00 . A A . 12 GLU N 1 1 10 6875 1 1 12 GLU O O 5.077 -2.248 -0.029 1.00 . A A . 12 GLU O 1 1 10 6876 1 1 12 GLU OE1 O 6.008 -7.023 -2.084 1.00 . A A . 12 GLU OE1 1 1 10 6877 1 1 12 GLU OE2 O 7.669 -6.352 -0.732 1.00 . A A . 12 GLU OE2 1 1 10 6878 1 1 13 TYR C C 2.314 -3.150 2.308 1.00 . A A . 13 TYR C 1 1 10 6879 1 1 13 TYR CA C 2.646 -2.044 1.305 1.00 . A A . 13 TYR CA 1 1 10 6880 1 1 13 TYR CB C 1.453 -1.092 1.199 1.00 . A A . 13 TYR CB 1 1 10 6881 1 1 13 TYR CD1 C 1.546 0.211 3.356 1.00 . A A . 13 TYR CD1 1 1 10 6882 1 1 13 TYR CD2 C -0.346 -1.197 2.963 1.00 . A A . 13 TYR CD2 1 1 10 6883 1 1 13 TYR CE1 C 0.993 0.599 4.627 1.00 . A A . 13 TYR CE1 1 1 10 6884 1 1 13 TYR CE2 C -0.899 -0.808 4.234 1.00 . A A . 13 TYR CE2 1 1 10 6885 1 1 13 TYR CG C 0.865 -0.679 2.550 1.00 . A A . 13 TYR CG 1 1 10 6886 1 1 13 TYR CZ C -0.202 0.071 5.004 1.00 . A A . 13 TYR CZ 1 1 10 6887 1 1 13 TYR H H 2.009 -2.914 -0.478 1.00 . A A . 13 TYR H 1 1 10 6888 1 1 13 TYR HA H 3.573 -1.556 1.607 1.00 . A A . 13 TYR HA 1 1 10 6889 1 1 13 TYR HB2 H 1.762 -0.197 0.660 1.00 . A A . 13 TYR HB2 1 1 10 6890 1 1 13 TYR HB3 H 0.673 -1.568 0.605 1.00 . A A . 13 TYR HB3 1 1 10 6891 1 1 13 TYR HD1 H 2.502 0.619 3.030 1.00 . A A . 13 TYR HD1 1 1 10 6892 1 1 13 TYR HD2 H -0.883 -1.900 2.326 1.00 . A A . 13 TYR HD2 1 1 10 6893 1 1 13 TYR HE1 H 1.520 1.301 5.273 1.00 . A A . 13 TYR HE1 1 1 10 6894 1 1 13 TYR HE2 H -1.854 -1.210 4.572 1.00 . A A . 13 TYR HE2 1 1 10 6895 1 1 13 TYR HH H -0.386 -0.168 6.924 1.00 . A A . 13 TYR HH 1 1 10 6896 1 1 13 TYR N N 2.842 -2.591 -0.027 1.00 . A A . 13 TYR N 1 1 10 6897 1 1 13 TYR O O 1.726 -4.168 1.944 1.00 . A A . 13 TYR O 1 1 10 6898 1 1 13 TYR OH O -0.725 0.438 6.204 1.00 . A A . 13 TYR OH 1 1 10 6899 1 1 14 ASP C C 1.604 -3.223 5.700 1.00 . A A . 14 ASP C 1 1 10 6900 1 1 14 ASP CA C 2.456 -3.878 4.610 1.00 . A A . 14 ASP CA 1 1 10 6901 1 1 14 ASP CB C 3.765 -4.344 5.250 1.00 . A A . 14 ASP CB 1 1 10 6902 1 1 14 ASP CG C 3.981 -5.859 5.249 1.00 . A A . 14 ASP CG 1 1 10 6903 1 1 14 ASP H H 3.182 -2.084 3.840 1.00 . A A . 14 ASP H 1 1 10 6904 1 1 14 ASP HA H 1.945 -4.710 4.126 1.00 . A A . 14 ASP HA 1 1 10 6905 1 1 14 ASP HB2 H 4.596 -3.873 4.725 1.00 . A A . 14 ASP HB2 1 1 10 6906 1 1 14 ASP HB3 H 3.795 -3.989 6.280 1.00 . A A . 14 ASP HB3 1 1 10 6907 1 1 14 ASP HD2 H 3.841 -5.721 3.376 1.00 . A A . 14 ASP HD2 1 1 10 6908 1 1 14 ASP N N 2.705 -2.914 3.552 1.00 . A A . 14 ASP N 1 1 10 6909 1 1 14 ASP O O 2.054 -2.295 6.371 1.00 . A A . 14 ASP O 1 1 10 6910 1 1 14 ASP OD1 O 4.202 -6.473 6.303 1.00 . A A . 14 ASP OD1 1 1 10 6911 1 1 14 ASP OD2 O 3.915 -6.418 4.088 1.00 . A A . 14 ASP OD2 1 1 10 6912 1 1 15 PRO C C -0.166 -3.682 8.248 1.00 . A A . 15 PRO C 1 1 10 6913 1 1 15 PRO CA C -0.562 -3.222 6.843 1.00 . A A . 15 PRO CA 1 1 10 6914 1 1 15 PRO CB C -1.932 -3.724 6.418 1.00 . A A . 15 PRO CB 1 1 10 6915 1 1 15 PRO CD C -0.209 -4.845 5.070 1.00 . A A . 15 PRO CD 1 1 10 6916 1 1 15 PRO CG C -1.675 -4.886 5.472 1.00 . A A . 15 PRO CG 1 1 10 6917 1 1 15 PRO HA H -0.522 -2.223 6.861 1.00 . A A . 15 PRO HA 1 1 10 6918 1 1 15 PRO HB2 H -2.516 -4.045 7.280 1.00 . A A . 15 PRO HB2 1 1 10 6919 1 1 15 PRO HB3 H -2.500 -2.936 5.923 1.00 . A A . 15 PRO HB3 1 1 10 6920 1 1 15 PRO HD2 H 0.290 -5.787 5.295 1.00 . A A . 15 PRO HD2 1 1 10 6921 1 1 15 PRO HD3 H -0.097 -4.673 4.000 1.00 . A A . 15 PRO HD3 1 1 10 6922 1 1 15 PRO HG2 H -1.911 -5.833 5.958 1.00 . A A . 15 PRO HG2 1 1 10 6923 1 1 15 PRO HG3 H -2.314 -4.811 4.592 1.00 . A A . 15 PRO HG3 1 1 10 6924 1 1 15 PRO N N 0.357 -3.746 5.846 1.00 . A A . 15 PRO N 1 1 10 6925 1 1 15 PRO O O -0.374 -2.961 9.222 1.00 . A A . 15 PRO O 1 1 10 6926 1 1 16 ALA C C 2.106 -4.749 10.034 1.00 . A A . 16 ALA C 1 1 10 6927 1 1 16 ALA CA C 0.822 -5.444 9.577 1.00 . A A . 16 ALA CA 1 1 10 6928 1 1 16 ALA CB C 0.999 -6.957 9.430 1.00 . A A . 16 ALA CB 1 1 10 6929 1 1 16 ALA H H 0.562 -5.461 7.510 1.00 . A A . 16 ALA H 1 1 10 6930 1 1 16 ALA HA H 0.036 -5.252 10.306 1.00 . A A . 16 ALA HA 1 1 10 6931 1 1 16 ALA HB1 H 0.647 -7.454 10.334 1.00 . A A . 16 ALA HB1 1 1 10 6932 1 1 16 ALA HB2 H 0.423 -7.308 8.574 1.00 . A A . 16 ALA HB2 1 1 10 6933 1 1 16 ALA HB3 H 2.054 -7.186 9.277 1.00 . A A . 16 ALA HB3 1 1 10 6934 1 1 16 ALA N N 0.396 -4.880 8.308 1.00 . A A . 16 ALA N 1 1 10 6935 1 1 16 ALA O O 2.598 -5.005 11.132 1.00 . A A . 16 ALA O 1 1 10 6936 1 1 17 GLU C C 3.530 -1.654 9.598 1.00 . A A . 17 GLU C 1 1 10 6937 1 1 17 GLU CA C 3.830 -3.149 9.469 1.00 . A A . 17 GLU CA 1 1 10 6938 1 1 17 GLU CB C 4.901 -3.404 8.407 1.00 . A A . 17 GLU CB 1 1 10 6939 1 1 17 GLU CD C 6.661 -4.501 9.842 1.00 . A A . 17 GLU CD 1 1 10 6940 1 1 17 GLU CG C 6.305 -3.273 9.001 1.00 . A A . 17 GLU CG 1 1 10 6941 1 1 17 GLU H H 2.207 -3.681 8.277 1.00 . A A . 17 GLU H 1 1 10 6942 1 1 17 GLU HA H 4.175 -3.541 10.426 1.00 . A A . 17 GLU HA 1 1 10 6943 1 1 17 GLU HB2 H 4.771 -4.401 7.987 1.00 . A A . 17 GLU HB2 1 1 10 6944 1 1 17 GLU HB3 H 4.782 -2.695 7.587 1.00 . A A . 17 GLU HB3 1 1 10 6945 1 1 17 GLU HE2 H 6.590 -6.356 9.523 1.00 . A A . 17 GLU HE2 1 1 10 6946 1 1 17 GLU HG2 H 7.033 -3.154 8.199 1.00 . A A . 17 GLU HG2 1 1 10 6947 1 1 17 GLU HG3 H 6.360 -2.377 9.618 1.00 . A A . 17 GLU HG3 1 1 10 6948 1 1 17 GLU N N 2.613 -3.883 9.168 1.00 . A A . 17 GLU N 1 1 10 6949 1 1 17 GLU O O 3.821 -1.045 10.626 1.00 . A A . 17 GLU O 1 1 10 6950 1 1 17 GLU OE1 O 6.576 -4.451 11.078 1.00 . A A . 17 GLU OE1 1 1 10 6951 1 1 17 GLU OE2 O 7.036 -5.534 9.167 1.00 . A A . 17 GLU OE2 1 1 10 6952 1 1 18 GLY C C 3.312 1.025 7.367 1.00 . A A . 18 GLY C 1 1 10 6953 1 1 18 GLY CA C 2.610 0.306 8.521 1.00 . A A . 18 GLY CA 1 1 10 6954 1 1 18 GLY H H 2.719 -1.608 7.707 1.00 . A A . 18 GLY H 1 1 10 6955 1 1 18 GLY HA2 H 1.530 0.421 8.422 1.00 . A A . 18 GLY HA2 1 1 10 6956 1 1 18 GLY HA3 H 2.894 0.765 9.467 1.00 . A A . 18 GLY HA3 1 1 10 6957 1 1 18 GLY N N 2.952 -1.106 8.539 1.00 . A A . 18 GLY N 1 1 10 6958 1 1 18 GLY O O 3.327 0.532 6.241 1.00 . A A . 18 GLY O 1 1 10 6959 1 1 19 ASP C C 5.200 4.197 7.367 1.00 . A A . 19 ASP C 1 1 10 6960 1 1 19 ASP CA C 4.578 2.973 6.693 1.00 . A A . 19 ASP CA 1 1 10 6961 1 1 19 ASP CB C 3.620 3.468 5.607 1.00 . A A . 19 ASP CB 1 1 10 6962 1 1 19 ASP CG C 4.201 3.489 4.192 1.00 . A A . 19 ASP CG 1 1 10 6963 1 1 19 ASP H H 3.859 2.575 8.607 1.00 . A A . 19 ASP H 1 1 10 6964 1 1 19 ASP HA H 5.327 2.303 6.270 1.00 . A A . 19 ASP HA 1 1 10 6965 1 1 19 ASP HB2 H 2.733 2.834 5.610 1.00 . A A . 19 ASP HB2 1 1 10 6966 1 1 19 ASP HB3 H 3.292 4.475 5.864 1.00 . A A . 19 ASP HB3 1 1 10 6967 1 1 19 ASP HD2 H 4.999 2.293 2.976 1.00 . A A . 19 ASP HD2 1 1 10 6968 1 1 19 ASP N N 3.876 2.181 7.688 1.00 . A A . 19 ASP N 1 1 10 6969 1 1 19 ASP O O 4.490 5.119 7.764 1.00 . A A . 19 ASP O 1 1 10 6970 1 1 19 ASP OD1 O 4.624 4.542 3.691 1.00 . A A . 19 ASP OD1 1 1 10 6971 1 1 19 ASP OD2 O 4.211 2.349 3.589 1.00 . A A . 19 ASP OD2 1 1 10 6972 1 1 20 PRO C C 7.353 6.468 7.164 1.00 . A A . 20 PRO C 1 1 10 6973 1 1 20 PRO CA C 7.282 5.259 8.099 1.00 . A A . 20 PRO CA 1 1 10 6974 1 1 20 PRO CB C 8.649 4.685 8.434 1.00 . A A . 20 PRO CB 1 1 10 6975 1 1 20 PRO CD C 7.429 3.088 7.020 1.00 . A A . 20 PRO CD 1 1 10 6976 1 1 20 PRO CG C 8.799 3.440 7.576 1.00 . A A . 20 PRO CG 1 1 10 6977 1 1 20 PRO HA H 6.801 5.575 8.918 1.00 . A A . 20 PRO HA 1 1 10 6978 1 1 20 PRO HB2 H 9.438 5.406 8.219 1.00 . A A . 20 PRO HB2 1 1 10 6979 1 1 20 PRO HB3 H 8.721 4.441 9.494 1.00 . A A . 20 PRO HB3 1 1 10 6980 1 1 20 PRO HD2 H 7.446 3.029 5.932 1.00 . A A . 20 PRO HD2 1 1 10 6981 1 1 20 PRO HD3 H 7.090 2.119 7.387 1.00 . A A . 20 PRO HD3 1 1 10 6982 1 1 20 PRO HG2 H 9.505 3.618 6.765 1.00 . A A . 20 PRO HG2 1 1 10 6983 1 1 20 PRO HG3 H 9.195 2.614 8.167 1.00 . A A . 20 PRO HG3 1 1 10 6984 1 1 20 PRO N N 6.555 4.164 7.479 1.00 . A A . 20 PRO N 1 1 10 6985 1 1 20 PRO O O 7.342 7.611 7.620 1.00 . A A . 20 PRO O 1 1 10 6986 1 1 21 ASP C C 6.607 8.393 5.296 1.00 . A A . 21 ASP C 1 1 10 6987 1 1 21 ASP CA C 7.498 7.224 4.871 1.00 . A A . 21 ASP CA 1 1 10 6988 1 1 21 ASP CB C 7.005 6.723 3.513 1.00 . A A . 21 ASP CB 1 1 10 6989 1 1 21 ASP CG C 7.796 7.236 2.308 1.00 . A A . 21 ASP CG 1 1 10 6990 1 1 21 ASP H H 7.433 5.243 5.512 1.00 . A A . 21 ASP H 1 1 10 6991 1 1 21 ASP HA H 8.552 7.499 4.822 1.00 . A A . 21 ASP HA 1 1 10 6992 1 1 21 ASP HB2 H 7.035 5.633 3.511 1.00 . A A . 21 ASP HB2 1 1 10 6993 1 1 21 ASP HB3 H 5.961 7.012 3.393 1.00 . A A . 21 ASP HB3 1 1 10 6994 1 1 21 ASP HD2 H 9.353 6.493 1.552 1.00 . A A . 21 ASP HD2 1 1 10 6995 1 1 21 ASP N N 7.425 6.175 5.874 1.00 . A A . 21 ASP N 1 1 10 6996 1 1 21 ASP O O 7.033 9.546 5.264 1.00 . A A . 21 ASP O 1 1 10 6997 1 1 21 ASP OD1 O 7.861 8.448 2.056 1.00 . A A . 21 ASP OD1 1 1 10 6998 1 1 21 ASP OD2 O 8.369 6.320 1.602 1.00 . A A . 21 ASP OD2 1 1 10 6999 1 1 22 ASN C C 4.289 9.005 7.637 1.00 . A A . 22 ASN C 1 1 10 7000 1 1 22 ASN CA C 4.431 9.061 6.115 1.00 . A A . 22 ASN CA 1 1 10 7001 1 1 22 ASN CB C 3.052 8.810 5.502 1.00 . A A . 22 ASN CB 1 1 10 7002 1 1 22 ASN CG C 2.864 9.628 4.222 1.00 . A A . 22 ASN CG 1 1 10 7003 1 1 22 ASN H H 5.048 7.114 5.707 1.00 . A A . 22 ASN H 1 1 10 7004 1 1 22 ASN HA H 4.841 10.010 5.769 1.00 . A A . 22 ASN HA 1 1 10 7005 1 1 22 ASN HB2 H 2.936 7.749 5.280 1.00 . A A . 22 ASN HB2 1 1 10 7006 1 1 22 ASN HB3 H 2.277 9.072 6.222 1.00 . A A . 22 ASN HB3 1 1 10 7007 1 1 22 ASN HD21 H 4.310 8.511 3.351 1.00 . A A . 22 ASN HD21 1 1 10 7008 1 1 22 ASN HD22 H 3.614 9.736 2.345 1.00 . A A . 22 ASN HD22 1 1 10 7009 1 1 22 ASN N N 5.386 8.054 5.684 1.00 . A A . 22 ASN N 1 1 10 7010 1 1 22 ASN ND2 N 3.662 9.261 3.224 1.00 . A A . 22 ASN ND2 1 1 10 7011 1 1 22 ASN O O 4.137 10.038 8.288 1.00 . A A . 22 ASN O 1 1 10 7012 1 1 22 ASN OD1 O 2.048 10.532 4.147 1.00 . A A . 22 ASN OD1 1 1 10 7013 1 1 23 GLY C C 2.963 6.785 9.930 1.00 . A A . 23 GLY C 1 1 10 7014 1 1 23 GLY CA C 4.224 7.585 9.594 1.00 . A A . 23 GLY CA 1 1 10 7015 1 1 23 GLY H H 4.469 6.955 7.624 1.00 . A A . 23 GLY H 1 1 10 7016 1 1 23 GLY HA2 H 5.103 7.059 9.965 1.00 . A A . 23 GLY HA2 1 1 10 7017 1 1 23 GLY HA3 H 4.192 8.550 10.101 1.00 . A A . 23 GLY HA3 1 1 10 7018 1 1 23 GLY N N 4.344 7.789 8.160 1.00 . A A . 23 GLY N 1 1 10 7019 1 1 23 GLY O O 1.908 7.362 10.185 1.00 . A A . 23 GLY O 1 1 10 7020 1 1 24 VAL C C 2.468 3.500 11.193 1.00 . A A . 24 VAL C 1 1 10 7021 1 1 24 VAL CA C 2.003 4.584 10.218 1.00 . A A . 24 VAL CA 1 1 10 7022 1 1 24 VAL CB C 1.424 4.014 8.922 1.00 . A A . 24 VAL CB 1 1 10 7023 1 1 24 VAL CG1 C 0.497 2.831 9.210 1.00 . A A . 24 VAL CG1 1 1 10 7024 1 1 24 VAL CG2 C 0.698 5.098 8.123 1.00 . A A . 24 VAL CG2 1 1 10 7025 1 1 24 VAL H H 3.978 5.008 9.709 1.00 . A A . 24 VAL H 1 1 10 7026 1 1 24 VAL HA H 1.229 5.181 10.700 1.00 . A A . 24 VAL HA 1 1 10 7027 1 1 24 VAL HB H 2.253 3.650 8.316 1.00 . A A . 24 VAL HB 1 1 10 7028 1 1 24 VAL HG11 H 1.086 1.988 9.571 1.00 . A A . 24 VAL HG11 1 1 10 7029 1 1 24 VAL HG12 H -0.232 3.117 9.968 1.00 . A A . 24 VAL HG12 1 1 10 7030 1 1 24 VAL HG13 H -0.023 2.546 8.295 1.00 . A A . 24 VAL HG13 1 1 10 7031 1 1 24 VAL HG21 H 0.071 5.686 8.794 1.00 . A A . 24 VAL HG21 1 1 10 7032 1 1 24 VAL HG22 H 1.430 5.749 7.645 1.00 . A A . 24 VAL HG22 1 1 10 7033 1 1 24 VAL HG23 H 0.074 4.631 7.360 1.00 . A A . 24 VAL HG23 1 1 10 7034 1 1 24 VAL N N 3.116 5.469 9.918 1.00 . A A . 24 VAL N 1 1 10 7035 1 1 24 VAL O O 3.658 3.197 11.268 1.00 . A A . 24 VAL O 1 1 10 7036 1 1 25 LYS C C 1.502 0.537 12.259 1.00 . A A . 25 LYS C 1 1 10 7037 1 1 25 LYS CA C 1.800 1.903 12.881 1.00 . A A . 25 LYS CA 1 1 10 7038 1 1 25 LYS CB C 1.052 2.158 14.191 1.00 . A A . 25 LYS CB 1 1 10 7039 1 1 25 LYS CD C 1.007 3.520 16.313 1.00 . A A . 25 LYS CD 1 1 10 7040 1 1 25 LYS CE C -0.123 4.550 16.318 1.00 . A A . 25 LYS CE 1 1 10 7041 1 1 25 LYS CG C 1.617 3.381 14.917 1.00 . A A . 25 LYS CG 1 1 10 7042 1 1 25 LYS H H 0.540 3.199 11.847 1.00 . A A . 25 LYS H 1 1 10 7043 1 1 25 LYS HA H 2.866 1.956 13.104 1.00 . A A . 25 LYS HA 1 1 10 7044 1 1 25 LYS HB2 H -0.008 2.310 13.985 1.00 . A A . 25 LYS HB2 1 1 10 7045 1 1 25 LYS HB3 H 1.128 1.281 14.834 1.00 . A A . 25 LYS HB3 1 1 10 7046 1 1 25 LYS HD2 H 0.625 2.554 16.645 1.00 . A A . 25 LYS HD2 1 1 10 7047 1 1 25 LYS HD3 H 1.779 3.818 17.022 1.00 . A A . 25 LYS HD3 1 1 10 7048 1 1 25 LYS HE2 H -0.562 4.622 15.322 1.00 . A A . 25 LYS HE2 1 1 10 7049 1 1 25 LYS HE3 H -0.916 4.226 16.992 1.00 . A A . 25 LYS HE3 1 1 10 7050 1 1 25 LYS HG2 H 2.700 3.292 14.996 1.00 . A A . 25 LYS HG2 1 1 10 7051 1 1 25 LYS HG3 H 1.412 4.280 14.335 1.00 . A A . 25 LYS HG3 1 1 10 7052 1 1 25 LYS HZ1 H 1.390 5.873 16.867 1.00 . A A . 25 LYS HZ1 1 1 10 7053 1 1 25 LYS HZ3 H -0.023 6.176 17.618 1.00 . A A . 25 LYS HZ3 1 1 10 7054 1 1 25 LYS N N 1.505 2.946 11.915 1.00 . A A . 25 LYS N 1 1 10 7055 1 1 25 LYS NZ N 0.384 5.875 16.739 1.00 . A A . 25 LYS NZ 1 1 10 7056 1 1 25 LYS O O 0.763 0.446 11.280 1.00 . A A . 25 LYS O 1 1 10 7057 1 1 26 PRO C C 0.533 -2.402 12.769 1.00 . A A . 26 PRO C 1 1 10 7058 1 1 26 PRO CA C 1.916 -1.873 12.382 1.00 . A A . 26 PRO CA 1 1 10 7059 1 1 26 PRO CB C 3.052 -2.675 12.997 1.00 . A A . 26 PRO CB 1 1 10 7060 1 1 26 PRO CD C 2.992 -0.446 14.028 1.00 . A A . 26 PRO CD 1 1 10 7061 1 1 26 PRO CG C 3.563 -1.848 14.165 1.00 . A A . 26 PRO CG 1 1 10 7062 1 1 26 PRO HA H 1.947 -1.892 11.383 1.00 . A A . 26 PRO HA 1 1 10 7063 1 1 26 PRO HB2 H 2.703 -3.652 13.333 1.00 . A A . 26 PRO HB2 1 1 10 7064 1 1 26 PRO HB3 H 3.843 -2.853 12.268 1.00 . A A . 26 PRO HB3 1 1 10 7065 1 1 26 PRO HD2 H 2.445 -0.152 14.924 1.00 . A A . 26 PRO HD2 1 1 10 7066 1 1 26 PRO HD3 H 3.781 0.291 13.880 1.00 . A A . 26 PRO HD3 1 1 10 7067 1 1 26 PRO HG2 H 3.257 -2.294 15.111 1.00 . A A . 26 PRO HG2 1 1 10 7068 1 1 26 PRO HG3 H 4.652 -1.818 14.164 1.00 . A A . 26 PRO HG3 1 1 10 7069 1 1 26 PRO N N 2.109 -0.517 12.867 1.00 . A A . 26 PRO N 1 1 10 7070 1 1 26 PRO O O 0.012 -2.068 13.831 1.00 . A A . 26 PRO O 1 1 10 7071 1 1 27 GLY C C -2.431 -2.941 11.485 1.00 . A A . 27 GLY C 1 1 10 7072 1 1 27 GLY CA C -1.333 -3.796 12.119 1.00 . A A . 27 GLY CA 1 1 10 7073 1 1 27 GLY H H 0.410 -3.485 11.023 1.00 . A A . 27 GLY H 1 1 10 7074 1 1 27 GLY HA2 H -1.369 -4.805 11.707 1.00 . A A . 27 GLY HA2 1 1 10 7075 1 1 27 GLY HA3 H -1.509 -3.884 13.192 1.00 . A A . 27 GLY HA3 1 1 10 7076 1 1 27 GLY N N -0.021 -3.218 11.884 1.00 . A A . 27 GLY N 1 1 10 7077 1 1 27 GLY O O -3.582 -3.366 11.397 1.00 . A A . 27 GLY O 1 1 10 7078 1 1 28 THR C C -3.469 -1.397 9.102 1.00 . A A . 28 THR C 1 1 10 7079 1 1 28 THR CA C -2.972 -0.831 10.434 1.00 . A A . 28 THR CA 1 1 10 7080 1 1 28 THR CB C -2.281 0.527 10.296 1.00 . A A . 28 THR CB 1 1 10 7081 1 1 28 THR CG2 C -3.202 1.596 9.705 1.00 . A A . 28 THR CG2 1 1 10 7082 1 1 28 THR H H -1.098 -1.412 11.133 1.00 . A A . 28 THR H 1 1 10 7083 1 1 28 THR HA H -3.842 -0.732 11.083 1.00 . A A . 28 THR HA 1 1 10 7084 1 1 28 THR HB H -1.363 0.440 9.715 1.00 . A A . 28 THR HB 1 1 10 7085 1 1 28 THR HG1 H -1.604 1.832 11.655 1.00 . A A . 28 THR HG1 1 1 10 7086 1 1 28 THR HG21 H -3.092 1.612 8.621 1.00 . A A . 28 THR HG21 1 1 10 7087 1 1 28 THR HG22 H -4.237 1.367 9.962 1.00 . A A . 28 THR HG22 1 1 10 7088 1 1 28 THR HG23 H -2.935 2.572 10.112 1.00 . A A . 28 THR HG23 1 1 10 7089 1 1 28 THR N N -2.036 -1.750 11.058 1.00 . A A . 28 THR N 1 1 10 7090 1 1 28 THR O O -2.825 -2.265 8.514 1.00 . A A . 28 THR O 1 1 10 7091 1 1 28 THR OG1 O -2.077 0.951 11.642 1.00 . A A . 28 THR OG1 1 1 10 7092 1 1 29 SER C C -5.137 -0.203 6.378 1.00 . A A . 29 SER C 1 1 10 7093 1 1 29 SER CA C -5.200 -1.328 7.414 1.00 . A A . 29 SER CA 1 1 10 7094 1 1 29 SER CB C -6.646 -1.782 7.618 1.00 . A A . 29 SER CB 1 1 10 7095 1 1 29 SER H H -5.127 -0.178 9.150 1.00 . A A . 29 SER H 1 1 10 7096 1 1 29 SER HA H -4.595 -2.176 7.095 1.00 . A A . 29 SER HA 1 1 10 7097 1 1 29 SER HB2 H -6.880 -2.577 6.910 1.00 . A A . 29 SER HB2 1 1 10 7098 1 1 29 SER HB3 H -6.757 -2.202 8.618 1.00 . A A . 29 SER HB3 1 1 10 7099 1 1 29 SER HG H -7.491 -0.067 8.211 1.00 . A A . 29 SER HG 1 1 10 7100 1 1 29 SER N N -4.610 -0.884 8.666 1.00 . A A . 29 SER N 1 1 10 7101 1 1 29 SER O O -5.236 0.972 6.726 1.00 . A A . 29 SER O 1 1 10 7102 1 1 29 SER OG O -7.571 -0.711 7.450 1.00 . A A . 29 SER OG 1 1 10 7103 1 1 30 PHE C C -6.176 1.190 3.951 1.00 . A A . 30 PHE C 1 1 10 7104 1 1 30 PHE CA C -4.897 0.355 4.037 1.00 . A A . 30 PHE CA 1 1 10 7105 1 1 30 PHE CB C -4.738 -0.448 2.745 1.00 . A A . 30 PHE CB 1 1 10 7106 1 1 30 PHE CD1 C -5.049 1.060 0.769 1.00 . A A . 30 PHE CD1 1 1 10 7107 1 1 30 PHE CD2 C -2.857 0.398 1.324 1.00 . A A . 30 PHE CD2 1 1 10 7108 1 1 30 PHE CE1 C -4.545 1.816 -0.322 1.00 . A A . 30 PHE CE1 1 1 10 7109 1 1 30 PHE CE2 C -2.353 1.154 0.233 1.00 . A A . 30 PHE CE2 1 1 10 7110 1 1 30 PHE CG C -4.195 0.367 1.569 1.00 . A A . 30 PHE CG 1 1 10 7111 1 1 30 PHE CZ C -3.208 1.847 -0.567 1.00 . A A . 30 PHE CZ 1 1 10 7112 1 1 30 PHE H H -4.894 -1.563 4.852 1.00 . A A . 30 PHE H 1 1 10 7113 1 1 30 PHE HA H -4.050 1.010 4.243 1.00 . A A . 30 PHE HA 1 1 10 7114 1 1 30 PHE HB2 H -4.070 -1.288 2.931 1.00 . A A . 30 PHE HB2 1 1 10 7115 1 1 30 PHE HB3 H -5.706 -0.866 2.467 1.00 . A A . 30 PHE HB3 1 1 10 7116 1 1 30 PHE HD1 H -6.121 1.035 0.966 1.00 . A A . 30 PHE HD1 1 1 10 7117 1 1 30 PHE HD2 H -2.173 -0.157 1.965 1.00 . A A . 30 PHE HD2 1 1 10 7118 1 1 30 PHE HE1 H -5.230 2.371 -0.963 1.00 . A A . 30 PHE HE1 1 1 10 7119 1 1 30 PHE HE2 H -1.281 1.180 0.036 1.00 . A A . 30 PHE HE2 1 1 10 7120 1 1 30 PHE HZ H -2.821 2.428 -1.404 1.00 . A A . 30 PHE HZ 1 1 10 7121 1 1 30 PHE N N -4.974 -0.604 5.126 1.00 . A A . 30 PHE N 1 1 10 7122 1 1 30 PHE O O -6.135 2.357 3.564 1.00 . A A . 30 PHE O 1 1 10 7123 1 1 31 ASP C C -8.550 2.411 5.259 1.00 . A A . 31 ASP C 1 1 10 7124 1 1 31 ASP CA C -8.571 1.230 4.287 1.00 . A A . 31 ASP CA 1 1 10 7125 1 1 31 ASP CB C -9.694 0.284 4.717 1.00 . A A . 31 ASP CB 1 1 10 7126 1 1 31 ASP CG C -10.966 0.975 5.214 1.00 . A A . 31 ASP CG 1 1 10 7127 1 1 31 ASP H H -7.307 -0.390 4.632 1.00 . A A . 31 ASP H 1 1 10 7128 1 1 31 ASP HA H -8.706 1.544 3.252 1.00 . A A . 31 ASP HA 1 1 10 7129 1 1 31 ASP HB2 H -9.952 -0.356 3.873 1.00 . A A . 31 ASP HB2 1 1 10 7130 1 1 31 ASP HB3 H -9.319 -0.366 5.507 1.00 . A A . 31 ASP HB3 1 1 10 7131 1 1 31 ASP HD2 H -11.734 1.133 3.502 1.00 . A A . 31 ASP HD2 1 1 10 7132 1 1 31 ASP N N -7.282 0.560 4.318 1.00 . A A . 31 ASP N 1 1 10 7133 1 1 31 ASP O O -9.427 3.272 5.215 1.00 . A A . 31 ASP O 1 1 10 7134 1 1 31 ASP OD1 O -11.344 0.848 6.389 1.00 . A A . 31 ASP OD1 1 1 10 7135 1 1 31 ASP OD2 O -11.587 1.677 4.329 1.00 . A A . 31 ASP OD2 1 1 10 7136 1 1 32 ASP C C -6.359 4.488 6.596 1.00 . A A . 32 ASP C 1 1 10 7137 1 1 32 ASP CA C -7.392 3.476 7.097 1.00 . A A . 32 ASP CA 1 1 10 7138 1 1 32 ASP CB C -6.901 2.923 8.436 1.00 . A A . 32 ASP CB 1 1 10 7139 1 1 32 ASP CG C -7.733 3.340 9.651 1.00 . A A . 32 ASP CG 1 1 10 7140 1 1 32 ASP H H -6.829 1.710 6.145 1.00 . A A . 32 ASP H 1 1 10 7141 1 1 32 ASP HA H -8.386 3.910 7.199 1.00 . A A . 32 ASP HA 1 1 10 7142 1 1 32 ASP HB2 H -6.888 1.835 8.380 1.00 . A A . 32 ASP HB2 1 1 10 7143 1 1 32 ASP HB3 H -5.872 3.247 8.591 1.00 . A A . 32 ASP HB3 1 1 10 7144 1 1 32 ASP HD2 H -7.696 5.121 9.041 1.00 . A A . 32 ASP HD2 1 1 10 7145 1 1 32 ASP N N -7.538 2.414 6.115 1.00 . A A . 32 ASP N 1 1 10 7146 1 1 32 ASP O O -6.428 5.669 6.933 1.00 . A A . 32 ASP O 1 1 10 7147 1 1 32 ASP OD1 O -8.341 2.498 10.328 1.00 . A A . 32 ASP OD1 1 1 10 7148 1 1 32 ASP OD2 O -7.743 4.606 9.897 1.00 . A A . 32 ASP OD2 1 1 10 7149 1 1 33 LEU C C -5.006 6.113 4.691 1.00 . A A . 33 LEU C 1 1 10 7150 1 1 33 LEU CA C -4.380 4.833 5.250 1.00 . A A . 33 LEU CA 1 1 10 7151 1 1 33 LEU CB C -3.547 4.059 4.227 1.00 . A A . 33 LEU CB 1 1 10 7152 1 1 33 LEU CD1 C -1.732 2.393 3.685 1.00 . A A . 33 LEU CD1 1 1 10 7153 1 1 33 LEU CD2 C -1.485 3.947 5.675 1.00 . A A . 33 LEU CD2 1 1 10 7154 1 1 33 LEU CG C -2.455 3.152 4.799 1.00 . A A . 33 LEU CG 1 1 10 7155 1 1 33 LEU H H -5.376 3.026 5.531 1.00 . A A . 33 LEU H 1 1 10 7156 1 1 33 LEU HA H -3.713 5.104 6.069 1.00 . A A . 33 LEU HA 1 1 10 7157 1 1 33 LEU HB2 H -4.221 3.448 3.627 1.00 . A A . 33 LEU HB2 1 1 10 7158 1 1 33 LEU HB3 H -3.079 4.775 3.552 1.00 . A A . 33 LEU HB3 1 1 10 7159 1 1 33 LEU HD11 H -0.709 2.181 3.994 1.00 . A A . 33 LEU HD11 1 1 10 7160 1 1 33 LEU HD12 H -2.253 1.457 3.485 1.00 . A A . 33 LEU HD12 1 1 10 7161 1 1 33 LEU HD13 H -1.719 3.002 2.780 1.00 . A A . 33 LEU HD13 1 1 10 7162 1 1 33 LEU HD21 H -0.595 3.347 5.869 1.00 . A A . 33 LEU HD21 1 1 10 7163 1 1 33 LEU HD22 H -1.199 4.864 5.160 1.00 . A A . 33 LEU HD22 1 1 10 7164 1 1 33 LEU HD23 H -1.968 4.196 6.619 1.00 . A A . 33 LEU HD23 1 1 10 7165 1 1 33 LEU HG H -2.930 2.408 5.439 1.00 . A A . 33 LEU HG 1 1 10 7166 1 1 33 LEU N N -5.425 3.988 5.800 1.00 . A A . 33 LEU N 1 1 10 7167 1 1 33 LEU O O -6.145 6.100 4.229 1.00 . A A . 33 LEU O 1 1 10 7168 1 1 34 PRO C C -4.665 8.536 2.730 1.00 . A A . 34 PRO C 1 1 10 7169 1 1 34 PRO CA C -4.677 8.501 4.259 1.00 . A A . 34 PRO CA 1 1 10 7170 1 1 34 PRO CB C -3.743 9.524 4.884 1.00 . A A . 34 PRO CB 1 1 10 7171 1 1 34 PRO CD C -2.857 7.269 5.294 1.00 . A A . 34 PRO CD 1 1 10 7172 1 1 34 PRO CG C -2.513 8.749 5.329 1.00 . A A . 34 PRO CG 1 1 10 7173 1 1 34 PRO HA H -5.628 8.653 4.529 1.00 . A A . 34 PRO HA 1 1 10 7174 1 1 34 PRO HB2 H -3.477 10.300 4.167 1.00 . A A . 34 PRO HB2 1 1 10 7175 1 1 34 PRO HB3 H -4.218 10.021 5.730 1.00 . A A . 34 PRO HB3 1 1 10 7176 1 1 34 PRO HD2 H -2.159 6.714 4.668 1.00 . A A . 34 PRO HD2 1 1 10 7177 1 1 34 PRO HD3 H -2.811 6.828 6.290 1.00 . A A . 34 PRO HD3 1 1 10 7178 1 1 34 PRO HG2 H -1.670 8.960 4.671 1.00 . A A . 34 PRO HG2 1 1 10 7179 1 1 34 PRO HG3 H -2.215 9.048 6.334 1.00 . A A . 34 PRO HG3 1 1 10 7180 1 1 34 PRO N N -4.212 7.216 4.754 1.00 . A A . 34 PRO N 1 1 10 7181 1 1 34 PRO O O -4.140 7.628 2.088 1.00 . A A . 34 PRO O 1 1 10 7182 1 1 35 ALA C C -3.969 10.284 0.239 1.00 . A A . 35 ALA C 1 1 10 7183 1 1 35 ALA CA C -5.314 9.761 0.748 1.00 . A A . 35 ALA CA 1 1 10 7184 1 1 35 ALA CB C -6.474 10.694 0.392 1.00 . A A . 35 ALA CB 1 1 10 7185 1 1 35 ALA H H -5.676 10.330 2.719 1.00 . A A . 35 ALA H 1 1 10 7186 1 1 35 ALA HA H -5.504 8.782 0.309 1.00 . A A . 35 ALA HA 1 1 10 7187 1 1 35 ALA HB1 H -7.187 10.718 1.216 1.00 . A A . 35 ALA HB1 1 1 10 7188 1 1 35 ALA HB2 H -6.091 11.698 0.213 1.00 . A A . 35 ALA HB2 1 1 10 7189 1 1 35 ALA HB3 H -6.970 10.329 -0.507 1.00 . A A . 35 ALA HB3 1 1 10 7190 1 1 35 ALA N N -5.251 9.595 2.190 1.00 . A A . 35 ALA N 1 1 10 7191 1 1 35 ALA O O -3.469 9.825 -0.787 1.00 . A A . 35 ALA O 1 1 10 7192 1 1 36 ASP C C -1.041 10.779 0.776 1.00 . A A . 36 ASP C 1 1 10 7193 1 1 36 ASP CA C -2.145 11.826 0.617 1.00 . A A . 36 ASP CA 1 1 10 7194 1 1 36 ASP CB C -1.807 13.011 1.524 1.00 . A A . 36 ASP CB 1 1 10 7195 1 1 36 ASP CG C -2.467 14.334 1.131 1.00 . A A . 36 ASP CG 1 1 10 7196 1 1 36 ASP H H -3.836 11.604 1.813 1.00 . A A . 36 ASP H 1 1 10 7197 1 1 36 ASP HA H -2.263 12.152 -0.416 1.00 . A A . 36 ASP HA 1 1 10 7198 1 1 36 ASP HB2 H -2.102 12.764 2.544 1.00 . A A . 36 ASP HB2 1 1 10 7199 1 1 36 ASP HB3 H -0.726 13.148 1.529 1.00 . A A . 36 ASP HB3 1 1 10 7200 1 1 36 ASP HD2 H -2.159 15.929 2.084 1.00 . A A . 36 ASP HD2 1 1 10 7201 1 1 36 ASP N N -3.422 11.236 0.980 1.00 . A A . 36 ASP N 1 1 10 7202 1 1 36 ASP O O 0.116 11.035 0.444 1.00 . A A . 36 ASP O 1 1 10 7203 1 1 36 ASP OD1 O -3.605 14.360 0.641 1.00 . A A . 36 ASP OD1 1 1 10 7204 1 1 36 ASP OD2 O -1.752 15.386 1.350 1.00 . A A . 36 ASP OD2 1 1 10 7205 1 1 37 TRP C C 0.071 8.132 0.130 1.00 . A A . 37 TRP C 1 1 10 7206 1 1 37 TRP CA C -0.495 8.534 1.494 1.00 . A A . 37 TRP CA 1 1 10 7207 1 1 37 TRP CB C -1.156 7.370 2.234 1.00 . A A . 37 TRP CB 1 1 10 7208 1 1 37 TRP CD1 C 0.626 5.958 3.455 1.00 . A A . 37 TRP CD1 1 1 10 7209 1 1 37 TRP CD2 C -0.119 5.009 1.597 1.00 . A A . 37 TRP CD2 1 1 10 7210 1 1 37 TRP CE2 C 0.819 4.159 2.147 1.00 . A A . 37 TRP CE2 1 1 10 7211 1 1 37 TRP CE3 C -0.785 4.689 0.401 1.00 . A A . 37 TRP CE3 1 1 10 7212 1 1 37 TRP CG C -0.236 6.167 2.450 1.00 . A A . 37 TRP CG 1 1 10 7213 1 1 37 TRP CH2 C 0.526 2.596 0.377 1.00 . A A . 37 TRP CH2 1 1 10 7214 1 1 37 TRP CZ2 C 1.176 2.935 1.570 1.00 . A A . 37 TRP CZ2 1 1 10 7215 1 1 37 TRP CZ3 C -0.416 3.463 -0.164 1.00 . A A . 37 TRP CZ3 1 1 10 7216 1 1 37 TRP H H -2.379 9.421 1.554 1.00 . A A . 37 TRP H 1 1 10 7217 1 1 37 TRP HA H 0.305 8.904 2.135 1.00 . A A . 37 TRP HA 1 1 10 7218 1 1 37 TRP HB2 H -1.510 7.723 3.202 1.00 . A A . 37 TRP HB2 1 1 10 7219 1 1 37 TRP HB3 H -2.033 7.047 1.672 1.00 . A A . 37 TRP HB3 1 1 10 7220 1 1 37 TRP HD1 H 0.785 6.651 4.281 1.00 . A A . 37 TRP HD1 1 1 10 7221 1 1 37 TRP HE1 H 2.036 4.346 3.990 1.00 . A A . 37 TRP HE1 1 1 10 7222 1 1 37 TRP HE3 H -1.529 5.343 -0.054 1.00 . A A . 37 TRP HE3 1 1 10 7223 1 1 37 TRP HH2 H 0.758 1.657 -0.125 1.00 . A A . 37 TRP HH2 1 1 10 7224 1 1 37 TRP HZ2 H 1.921 2.281 2.024 1.00 . A A . 37 TRP HZ2 1 1 10 7225 1 1 37 TRP HZ3 H -0.902 3.166 -1.094 1.00 . A A . 37 TRP HZ3 1 1 10 7226 1 1 37 TRP N N -1.436 9.621 1.286 1.00 . A A . 37 TRP N 1 1 10 7227 1 1 37 TRP NE1 N 1.286 4.755 3.313 1.00 . A A . 37 TRP NE1 1 1 10 7228 1 1 37 TRP O O 1.287 8.079 -0.050 1.00 . A A . 37 TRP O 1 1 10 7229 1 1 38 VAL C C 0.729 6.484 -2.051 1.00 . A A . 38 VAL C 1 1 10 7230 1 1 38 VAL CA C -0.444 7.462 -2.136 1.00 . A A . 38 VAL CA 1 1 10 7231 1 1 38 VAL CB C -0.129 8.702 -2.976 1.00 . A A . 38 VAL CB 1 1 10 7232 1 1 38 VAL CG1 C -1.374 9.572 -3.157 1.00 . A A . 38 VAL CG1 1 1 10 7233 1 1 38 VAL CG2 C 1.018 9.505 -2.359 1.00 . A A . 38 VAL CG2 1 1 10 7234 1 1 38 VAL H H -1.824 7.904 -0.640 1.00 . A A . 38 VAL H 1 1 10 7235 1 1 38 VAL HA H -1.293 6.953 -2.591 1.00 . A A . 38 VAL HA 1 1 10 7236 1 1 38 VAL HB H 0.191 8.365 -3.963 1.00 . A A . 38 VAL HB 1 1 10 7237 1 1 38 VAL HG11 H -1.242 10.511 -2.618 1.00 . A A . 38 VAL HG11 1 1 10 7238 1 1 38 VAL HG12 H -1.521 9.780 -4.217 1.00 . A A . 38 VAL HG12 1 1 10 7239 1 1 38 VAL HG13 H -2.244 9.047 -2.765 1.00 . A A . 38 VAL HG13 1 1 10 7240 1 1 38 VAL HG21 H 0.669 9.997 -1.451 1.00 . A A . 38 VAL HG21 1 1 10 7241 1 1 38 VAL HG22 H 1.842 8.834 -2.116 1.00 . A A . 38 VAL HG22 1 1 10 7242 1 1 38 VAL HG23 H 1.359 10.256 -3.072 1.00 . A A . 38 VAL HG23 1 1 10 7243 1 1 38 VAL N N -0.837 7.858 -0.795 1.00 . A A . 38 VAL N 1 1 10 7244 1 1 38 VAL O O 0.962 5.877 -1.006 1.00 . A A . 38 VAL O 1 1 10 7245 1 1 39 CYS C C 3.856 6.310 -3.158 1.00 . A A . 39 CYS C 1 1 10 7246 1 1 39 CYS CA C 2.581 5.466 -3.228 1.00 . A A . 39 CYS CA 1 1 10 7247 1 1 39 CYS CB C 2.545 4.590 -4.482 1.00 . A A . 39 CYS CB 1 1 10 7248 1 1 39 CYS H H 1.242 6.858 -4.009 1.00 . A A . 39 CYS H 1 1 10 7249 1 1 39 CYS HA H 2.509 4.803 -2.366 1.00 . A A . 39 CYS HA 1 1 10 7250 1 1 39 CYS HB2 H 1.723 3.880 -4.388 1.00 . A A . 39 CYS HB2 1 1 10 7251 1 1 39 CYS HB3 H 2.323 5.222 -5.342 1.00 . A A . 39 CYS HB3 1 1 10 7252 1 1 39 CYS N N 1.438 6.361 -3.164 1.00 . A A . 39 CYS N 1 1 10 7253 1 1 39 CYS O O 4.215 6.980 -4.125 1.00 . A A . 39 CYS O 1 1 10 7254 1 1 39 CYS SG S 4.087 3.663 -4.816 1.00 . A A . 39 CYS SG 1 1 10 7255 1 1 40 PRO C C 6.922 6.346 -2.499 1.00 . A A . 40 PRO C 1 1 10 7256 1 1 40 PRO CA C 5.749 6.998 -1.765 1.00 . A A . 40 PRO CA 1 1 10 7257 1 1 40 PRO CB C 5.937 7.034 -0.257 1.00 . A A . 40 PRO CB 1 1 10 7258 1 1 40 PRO CD C 4.126 5.466 -0.807 1.00 . A A . 40 PRO CD 1 1 10 7259 1 1 40 PRO CG C 5.070 5.915 0.297 1.00 . A A . 40 PRO CG 1 1 10 7260 1 1 40 PRO HA H 5.663 7.917 -2.150 1.00 . A A . 40 PRO HA 1 1 10 7261 1 1 40 PRO HB2 H 6.983 6.886 0.009 1.00 . A A . 40 PRO HB2 1 1 10 7262 1 1 40 PRO HB3 H 5.637 7.999 0.151 1.00 . A A . 40 PRO HB3 1 1 10 7263 1 1 40 PRO HD2 H 4.219 4.396 -0.997 1.00 . A A . 40 PRO HD2 1 1 10 7264 1 1 40 PRO HD3 H 3.086 5.652 -0.539 1.00 . A A . 40 PRO HD3 1 1 10 7265 1 1 40 PRO HG2 H 5.689 5.082 0.632 1.00 . A A . 40 PRO HG2 1 1 10 7266 1 1 40 PRO HG3 H 4.507 6.261 1.163 1.00 . A A . 40 PRO HG3 1 1 10 7267 1 1 40 PRO N N 4.522 6.248 -1.974 1.00 . A A . 40 PRO N 1 1 10 7268 1 1 40 PRO O O 7.901 5.940 -1.874 1.00 . A A . 40 PRO O 1 1 10 7269 1 1 41 VAL C C 7.637 6.122 -6.089 1.00 . A A . 41 VAL C 1 1 10 7270 1 1 41 VAL CA C 7.821 5.668 -4.640 1.00 . A A . 41 VAL CA 1 1 10 7271 1 1 41 VAL CB C 7.803 4.146 -4.483 1.00 . A A . 41 VAL CB 1 1 10 7272 1 1 41 VAL CG1 C 6.902 3.725 -3.320 1.00 . A A . 41 VAL CG1 1 1 10 7273 1 1 41 VAL CG2 C 7.373 3.466 -5.784 1.00 . A A . 41 VAL CG2 1 1 10 7274 1 1 41 VAL H H 5.985 6.597 -4.315 1.00 . A A . 41 VAL H 1 1 10 7275 1 1 41 VAL HA H 8.781 6.033 -4.277 1.00 . A A . 41 VAL HA 1 1 10 7276 1 1 41 VAL HB H 8.818 3.821 -4.255 1.00 . A A . 41 VAL HB 1 1 10 7277 1 1 41 VAL HG11 H 6.647 2.670 -3.422 1.00 . A A . 41 VAL HG11 1 1 10 7278 1 1 41 VAL HG12 H 7.428 3.882 -2.378 1.00 . A A . 41 VAL HG12 1 1 10 7279 1 1 41 VAL HG13 H 5.991 4.323 -3.332 1.00 . A A . 41 VAL HG13 1 1 10 7280 1 1 41 VAL HG21 H 8.001 3.818 -6.603 1.00 . A A . 41 VAL HG21 1 1 10 7281 1 1 41 VAL HG22 H 7.481 2.386 -5.682 1.00 . A A . 41 VAL HG22 1 1 10 7282 1 1 41 VAL HG23 H 6.332 3.709 -5.994 1.00 . A A . 41 VAL HG23 1 1 10 7283 1 1 41 VAL N N 6.785 6.264 -3.814 1.00 . A A . 41 VAL N 1 1 10 7284 1 1 41 VAL O O 8.610 6.428 -6.776 1.00 . A A . 41 VAL O 1 1 10 7285 1 1 42 CYS C C 5.133 7.779 -7.792 1.00 . A A . 42 CYS C 1 1 10 7286 1 1 42 CYS CA C 6.057 6.562 -7.867 1.00 . A A . 42 CYS CA 1 1 10 7287 1 1 42 CYS CB C 5.433 5.420 -8.671 1.00 . A A . 42 CYS CB 1 1 10 7288 1 1 42 CYS H H 5.595 5.900 -5.946 1.00 . A A . 42 CYS H 1 1 10 7289 1 1 42 CYS HA H 7.000 6.822 -8.349 1.00 . A A . 42 CYS HA 1 1 10 7290 1 1 42 CYS HB2 H 5.540 5.641 -9.733 1.00 . A A . 42 CYS HB2 1 1 10 7291 1 1 42 CYS HB3 H 5.997 4.507 -8.477 1.00 . A A . 42 CYS HB3 1 1 10 7292 1 1 42 CYS N N 6.381 6.151 -6.512 1.00 . A A . 42 CYS N 1 1 10 7293 1 1 42 CYS O O 5.341 8.766 -8.496 1.00 . A A . 42 CYS O 1 1 10 7294 1 1 42 CYS SG S 3.667 5.104 -8.312 1.00 . A A . 42 CYS SG 1 1 10 7295 1 1 43 GLY C C 1.741 8.210 -6.733 1.00 . A A . 43 GLY C 1 1 10 7296 1 1 43 GLY CA C 3.174 8.747 -6.755 1.00 . A A . 43 GLY CA 1 1 10 7297 1 1 43 GLY H H 3.969 6.862 -6.363 1.00 . A A . 43 GLY H 1 1 10 7298 1 1 43 GLY HA2 H 3.382 9.275 -5.825 1.00 . A A . 43 GLY HA2 1 1 10 7299 1 1 43 GLY HA3 H 3.282 9.470 -7.563 1.00 . A A . 43 GLY HA3 1 1 10 7300 1 1 43 GLY N N 4.131 7.668 -6.932 1.00 . A A . 43 GLY N 1 1 10 7301 1 1 43 GLY O O 0.921 8.653 -5.930 1.00 . A A . 43 GLY O 1 1 10 7302 1 1 44 ALA C C -0.540 6.776 -6.364 1.00 . A A . 44 ALA C 1 1 10 7303 1 1 44 ALA CA C 0.164 6.663 -7.718 1.00 . A A . 44 ALA CA 1 1 10 7304 1 1 44 ALA CB C 0.296 5.213 -8.188 1.00 . A A . 44 ALA CB 1 1 10 7305 1 1 44 ALA H H 2.156 6.911 -8.274 1.00 . A A . 44 ALA H 1 1 10 7306 1 1 44 ALA HA H -0.404 7.223 -8.461 1.00 . A A . 44 ALA HA 1 1 10 7307 1 1 44 ALA HB1 H 0.577 4.582 -7.345 1.00 . A A . 44 ALA HB1 1 1 10 7308 1 1 44 ALA HB2 H -0.658 4.875 -8.593 1.00 . A A . 44 ALA HB2 1 1 10 7309 1 1 44 ALA HB3 H 1.062 5.150 -8.960 1.00 . A A . 44 ALA HB3 1 1 10 7310 1 1 44 ALA N N 1.483 7.265 -7.625 1.00 . A A . 44 ALA N 1 1 10 7311 1 1 44 ALA O O 0.077 6.568 -5.320 1.00 . A A . 44 ALA O 1 1 10 7312 1 1 45 PRO C C -2.993 5.889 -4.623 1.00 . A A . 45 PRO C 1 1 10 7313 1 1 45 PRO CA C -2.650 7.256 -5.218 1.00 . A A . 45 PRO CA 1 1 10 7314 1 1 45 PRO CB C -3.878 8.043 -5.645 1.00 . A A . 45 PRO CB 1 1 10 7315 1 1 45 PRO CD C -2.620 7.367 -7.644 1.00 . A A . 45 PRO CD 1 1 10 7316 1 1 45 PRO CG C -3.953 7.910 -7.158 1.00 . A A . 45 PRO CG 1 1 10 7317 1 1 45 PRO HA H -2.128 7.737 -4.514 1.00 . A A . 45 PRO HA 1 1 10 7318 1 1 45 PRO HB2 H -4.778 7.649 -5.173 1.00 . A A . 45 PRO HB2 1 1 10 7319 1 1 45 PRO HB3 H -3.795 9.089 -5.349 1.00 . A A . 45 PRO HB3 1 1 10 7320 1 1 45 PRO HD2 H -2.752 6.455 -8.226 1.00 . A A . 45 PRO HD2 1 1 10 7321 1 1 45 PRO HD3 H -2.111 8.084 -8.289 1.00 . A A . 45 PRO HD3 1 1 10 7322 1 1 45 PRO HG2 H -4.765 7.241 -7.442 1.00 . A A . 45 PRO HG2 1 1 10 7323 1 1 45 PRO HG3 H -4.162 8.877 -7.616 1.00 . A A . 45 PRO HG3 1 1 10 7324 1 1 45 PRO N N -1.856 7.113 -6.426 1.00 . A A . 45 PRO N 1 1 10 7325 1 1 45 PRO O O -2.860 4.865 -5.292 1.00 . A A . 45 PRO O 1 1 10 7326 1 1 46 LYS C C -4.964 4.028 -3.406 1.00 . A A . 46 LYS C 1 1 10 7327 1 1 46 LYS CA C -3.792 4.692 -2.679 1.00 . A A . 46 LYS CA 1 1 10 7328 1 1 46 LYS CB C -4.066 4.974 -1.200 1.00 . A A . 46 LYS CB 1 1 10 7329 1 1 46 LYS CD C -5.915 5.404 0.459 1.00 . A A . 46 LYS CD 1 1 10 7330 1 1 46 LYS CE C -7.431 5.564 0.592 1.00 . A A . 46 LYS CE 1 1 10 7331 1 1 46 LYS CG C -5.476 5.533 -1.001 1.00 . A A . 46 LYS CG 1 1 10 7332 1 1 46 LYS H H -3.534 6.753 -2.835 1.00 . A A . 46 LYS H 1 1 10 7333 1 1 46 LYS HA H -2.933 4.023 -2.726 1.00 . A A . 46 LYS HA 1 1 10 7334 1 1 46 LYS HB2 H -3.949 4.056 -0.623 1.00 . A A . 46 LYS HB2 1 1 10 7335 1 1 46 LYS HB3 H -3.332 5.684 -0.820 1.00 . A A . 46 LYS HB3 1 1 10 7336 1 1 46 LYS HD2 H -5.612 4.433 0.850 1.00 . A A . 46 LYS HD2 1 1 10 7337 1 1 46 LYS HD3 H -5.412 6.161 1.062 1.00 . A A . 46 LYS HD3 1 1 10 7338 1 1 46 LYS HE2 H -7.923 5.165 -0.295 1.00 . A A . 46 LYS HE2 1 1 10 7339 1 1 46 LYS HE3 H -7.790 4.985 1.443 1.00 . A A . 46 LYS HE3 1 1 10 7340 1 1 46 LYS HG2 H -5.502 6.580 -1.301 1.00 . A A . 46 LYS HG2 1 1 10 7341 1 1 46 LYS HG3 H -6.177 5.000 -1.643 1.00 . A A . 46 LYS HG3 1 1 10 7342 1 1 46 LYS HZ1 H -7.632 7.526 -0.079 1.00 . A A . 46 LYS HZ1 1 1 10 7343 1 1 46 LYS HZ3 H -7.245 7.430 1.500 1.00 . A A . 46 LYS HZ3 1 1 10 7344 1 1 46 LYS N N -3.429 5.916 -3.372 1.00 . A A . 46 LYS N 1 1 10 7345 1 1 46 LYS NZ N -7.789 6.989 0.767 1.00 . A A . 46 LYS NZ 1 1 10 7346 1 1 46 LYS O O -5.204 2.833 -3.241 1.00 . A A . 46 LYS O 1 1 10 7347 1 1 47 SER C C -6.324 3.463 -6.107 1.00 . A A . 47 SER C 1 1 10 7348 1 1 47 SER CA C -6.802 4.338 -4.947 1.00 . A A . 47 SER CA 1 1 10 7349 1 1 47 SER CB C -7.658 5.493 -5.471 1.00 . A A . 47 SER CB 1 1 10 7350 1 1 47 SER H H -5.459 5.803 -4.323 1.00 . A A . 47 SER H 1 1 10 7351 1 1 47 SER HA H -7.382 3.749 -4.237 1.00 . A A . 47 SER HA 1 1 10 7352 1 1 47 SER HB2 H -8.046 6.067 -4.629 1.00 . A A . 47 SER HB2 1 1 10 7353 1 1 47 SER HB3 H -7.036 6.168 -6.057 1.00 . A A . 47 SER HB3 1 1 10 7354 1 1 47 SER HG H -8.608 4.070 -6.510 1.00 . A A . 47 SER HG 1 1 10 7355 1 1 47 SER N N -5.661 4.832 -4.194 1.00 . A A . 47 SER N 1 1 10 7356 1 1 47 SER O O -7.129 2.810 -6.770 1.00 . A A . 47 SER O 1 1 10 7357 1 1 47 SER OG O -8.743 5.032 -6.271 1.00 . A A . 47 SER OG 1 1 10 7358 1 1 48 GLU C C -3.670 1.491 -6.808 1.00 . A A . 48 GLU C 1 1 10 7359 1 1 48 GLU CA C -4.421 2.692 -7.386 1.00 . A A . 48 GLU CA 1 1 10 7360 1 1 48 GLU CB C -3.496 3.553 -8.249 1.00 . A A . 48 GLU CB 1 1 10 7361 1 1 48 GLU CD C -3.515 5.241 -10.122 1.00 . A A . 48 GLU CD 1 1 10 7362 1 1 48 GLU CG C -4.269 4.698 -8.907 1.00 . A A . 48 GLU CG 1 1 10 7363 1 1 48 GLU H H -4.368 4.010 -5.773 1.00 . A A . 48 GLU H 1 1 10 7364 1 1 48 GLU HA H -5.258 2.348 -7.993 1.00 . A A . 48 GLU HA 1 1 10 7365 1 1 48 GLU HB2 H -2.693 3.959 -7.634 1.00 . A A . 48 GLU HB2 1 1 10 7366 1 1 48 GLU HB3 H -3.030 2.936 -9.016 1.00 . A A . 48 GLU HB3 1 1 10 7367 1 1 48 GLU HE2 H -3.789 6.614 -11.383 1.00 . A A . 48 GLU HE2 1 1 10 7368 1 1 48 GLU HG2 H -5.255 4.347 -9.214 1.00 . A A . 48 GLU HG2 1 1 10 7369 1 1 48 GLU HG3 H -4.427 5.498 -8.184 1.00 . A A . 48 GLU HG3 1 1 10 7370 1 1 48 GLU N N -5.016 3.477 -6.317 1.00 . A A . 48 GLU N 1 1 10 7371 1 1 48 GLU O O -2.634 1.089 -7.336 1.00 . A A . 48 GLU O 1 1 10 7372 1 1 48 GLU OE1 O -2.757 4.499 -10.765 1.00 . A A . 48 GLU OE1 1 1 10 7373 1 1 48 GLU OE2 O -3.739 6.483 -10.392 1.00 . A A . 48 GLU OE2 1 1 10 7374 1 1 49 PHE C C -4.567 -1.395 -5.081 1.00 . A A . 49 PHE C 1 1 10 7375 1 1 49 PHE CA C -3.617 -0.196 -5.075 1.00 . A A . 49 PHE CA 1 1 10 7376 1 1 49 PHE CB C -3.338 0.212 -3.627 1.00 . A A . 49 PHE CB 1 1 10 7377 1 1 49 PHE CD1 C -1.664 2.072 -3.715 1.00 . A A . 49 PHE CD1 1 1 10 7378 1 1 49 PHE CD2 C -0.959 -0.015 -2.880 1.00 . A A . 49 PHE CD2 1 1 10 7379 1 1 49 PHE CE1 C -0.362 2.597 -3.503 1.00 . A A . 49 PHE CE1 1 1 10 7380 1 1 49 PHE CE2 C 0.343 0.510 -2.668 1.00 . A A . 49 PHE CE2 1 1 10 7381 1 1 49 PHE CG C -1.935 0.777 -3.399 1.00 . A A . 49 PHE CG 1 1 10 7382 1 1 49 PHE CZ C 0.614 1.805 -2.984 1.00 . A A . 49 PHE CZ 1 1 10 7383 1 1 49 PHE H H -5.064 1.284 -5.307 1.00 . A A . 49 PHE H 1 1 10 7384 1 1 49 PHE HA H -2.714 -0.448 -5.632 1.00 . A A . 49 PHE HA 1 1 10 7385 1 1 49 PHE HB2 H -4.073 0.957 -3.322 1.00 . A A . 49 PHE HB2 1 1 10 7386 1 1 49 PHE HB3 H -3.478 -0.656 -2.983 1.00 . A A . 49 PHE HB3 1 1 10 7387 1 1 49 PHE HD1 H -2.446 2.707 -4.131 1.00 . A A . 49 PHE HD1 1 1 10 7388 1 1 49 PHE HD2 H -1.176 -1.053 -2.627 1.00 . A A . 49 PHE HD2 1 1 10 7389 1 1 49 PHE HE1 H -0.145 3.635 -3.756 1.00 . A A . 49 PHE HE1 1 1 10 7390 1 1 49 PHE HE2 H 1.126 -0.125 -2.252 1.00 . A A . 49 PHE HE2 1 1 10 7391 1 1 49 PHE HZ H 1.614 2.208 -2.821 1.00 . A A . 49 PHE HZ 1 1 10 7392 1 1 49 PHE N N -4.222 0.951 -5.731 1.00 . A A . 49 PHE N 1 1 10 7393 1 1 49 PHE O O -5.748 -1.257 -4.765 1.00 . A A . 49 PHE O 1 1 10 7394 1 1 50 GLU C C -4.094 -4.883 -4.726 1.00 . A A . 50 GLU C 1 1 10 7395 1 1 50 GLU CA C -4.801 -3.766 -5.496 1.00 . A A . 50 GLU CA 1 1 10 7396 1 1 50 GLU CB C -5.071 -4.184 -6.943 1.00 . A A . 50 GLU CB 1 1 10 7397 1 1 50 GLU CD C -6.503 -5.818 -8.223 1.00 . A A . 50 GLU CD 1 1 10 7398 1 1 50 GLU CG C -5.590 -5.621 -7.011 1.00 . A A . 50 GLU CG 1 1 10 7399 1 1 50 GLU H H -3.056 -2.647 -5.701 1.00 . A A . 50 GLU H 1 1 10 7400 1 1 50 GLU HA H -5.747 -3.524 -5.012 1.00 . A A . 50 GLU HA 1 1 10 7401 1 1 50 GLU HB2 H -5.800 -3.509 -7.391 1.00 . A A . 50 GLU HB2 1 1 10 7402 1 1 50 GLU HB3 H -4.155 -4.096 -7.528 1.00 . A A . 50 GLU HB3 1 1 10 7403 1 1 50 GLU HE2 H -6.003 -6.877 -9.698 1.00 . A A . 50 GLU HE2 1 1 10 7404 1 1 50 GLU HG2 H -4.750 -6.313 -7.068 1.00 . A A . 50 GLU HG2 1 1 10 7405 1 1 50 GLU HG3 H -6.137 -5.858 -6.098 1.00 . A A . 50 GLU HG3 1 1 10 7406 1 1 50 GLU N N -4.017 -2.544 -5.445 1.00 . A A . 50 GLU N 1 1 10 7407 1 1 50 GLU O O -2.870 -4.989 -4.764 1.00 . A A . 50 GLU O 1 1 10 7408 1 1 50 GLU OE1 O -7.253 -4.901 -8.590 1.00 . A A . 50 GLU OE1 1 1 10 7409 1 1 50 GLU OE2 O -6.414 -6.973 -8.791 1.00 . A A . 50 GLU OE2 1 1 10 7410 1 1 51 ALA C C -3.642 -7.767 -4.199 1.00 . A A . 51 ALA C 1 1 10 7411 1 1 51 ALA CA C -4.364 -6.792 -3.266 1.00 . A A . 51 ALA CA 1 1 10 7412 1 1 51 ALA CB C -5.497 -7.463 -2.487 1.00 . A A . 51 ALA CB 1 1 10 7413 1 1 51 ALA H H -5.892 -5.594 -4.018 1.00 . A A . 51 ALA H 1 1 10 7414 1 1 51 ALA HA H -3.645 -6.382 -2.556 1.00 . A A . 51 ALA HA 1 1 10 7415 1 1 51 ALA HB1 H -5.583 -8.505 -2.794 1.00 . A A . 51 ALA HB1 1 1 10 7416 1 1 51 ALA HB2 H -5.283 -7.415 -1.419 1.00 . A A . 51 ALA HB2 1 1 10 7417 1 1 51 ALA HB3 H -6.435 -6.945 -2.693 1.00 . A A . 51 ALA HB3 1 1 10 7418 1 1 51 ALA N N -4.897 -5.687 -4.044 1.00 . A A . 51 ALA N 1 1 10 7419 1 1 51 ALA O O -4.181 -8.155 -5.234 1.00 . A A . 51 ALA O 1 1 10 7420 1 1 52 ALA C C -2.204 -10.467 -4.449 1.00 . A A . 52 ALA C 1 1 10 7421 1 1 52 ALA CA C -1.632 -9.055 -4.587 1.00 . A A . 52 ALA CA 1 1 10 7422 1 1 52 ALA CB C -0.171 -8.971 -4.141 1.00 . A A . 52 ALA CB 1 1 10 7423 1 1 52 ALA H H -2.002 -7.813 -2.956 1.00 . A A . 52 ALA H 1 1 10 7424 1 1 52 ALA HA H -1.699 -8.745 -5.630 1.00 . A A . 52 ALA HA 1 1 10 7425 1 1 52 ALA HB1 H -0.053 -9.482 -3.185 1.00 . A A . 52 ALA HB1 1 1 10 7426 1 1 52 ALA HB2 H 0.465 -9.447 -4.888 1.00 . A A . 52 ALA HB2 1 1 10 7427 1 1 52 ALA HB3 H 0.116 -7.925 -4.033 1.00 . A A . 52 ALA HB3 1 1 10 7428 1 1 52 ALA N N -2.433 -8.134 -3.799 1.00 . A A . 52 ALA N 1 1 10 7429 1 1 52 ALA O O -1.824 -11.209 -3.544 1.00 . A A . 52 ALA O 1 1 10 7430 2 2 1 NI NI NI 3.770 3.023 -7.115 1.00 . B A . 53 NI NI 1 1 11 7431 1 1 1 MET C C -4.436 -9.758 5.420 1.00 . A A . 1 MET C 1 1 11 7432 1 1 1 MET CA C -5.159 -9.236 6.664 1.00 . A A . 1 MET CA 1 1 11 7433 1 1 1 MET CB C -6.605 -8.888 6.305 1.00 . A A . 1 MET CB 1 1 11 7434 1 1 1 MET CE C -8.673 -10.697 8.785 1.00 . A A . 1 MET CE 1 1 11 7435 1 1 1 MET CG C -7.425 -8.593 7.563 1.00 . A A . 1 MET CG 1 1 11 7436 1 1 1 MET H1 H -3.510 -8.014 7.022 1.00 . A A . 1 MET H1 1 1 11 7437 1 1 1 MET HA H -5.115 -9.982 7.458 1.00 . A A . 1 MET HA 1 1 11 7438 1 1 1 MET HB2 H -6.621 -8.021 5.645 1.00 . A A . 1 MET HB2 1 1 11 7439 1 1 1 MET HB3 H -7.057 -9.714 5.757 1.00 . A A . 1 MET HB3 1 1 11 7440 1 1 1 MET HE1 H -8.742 -10.219 9.762 1.00 . A A . 1 MET HE1 1 1 11 7441 1 1 1 MET HE2 H -9.418 -11.489 8.715 1.00 . A A . 1 MET HE2 1 1 11 7442 1 1 1 MET HE3 H -7.677 -11.123 8.658 1.00 . A A . 1 MET HE3 1 1 11 7443 1 1 1 MET HG2 H -6.862 -8.879 8.450 1.00 . A A . 1 MET HG2 1 1 11 7444 1 1 1 MET HG3 H -7.618 -7.523 7.639 1.00 . A A . 1 MET HG3 1 1 11 7445 1 1 1 MET N N -4.494 -8.059 7.197 1.00 . A A . 1 MET N 1 1 11 7446 1 1 1 MET O O -4.088 -10.936 5.349 1.00 . A A . 1 MET O 1 1 11 7447 1 1 1 MET SD S -8.969 -9.487 7.507 1.00 . A A . 1 MET SD 1 1 11 7448 1 1 2 LYS C C -2.624 -8.071 2.822 1.00 . A A . 2 LYS C 1 1 11 7449 1 1 2 LYS CA C -3.557 -9.211 3.234 1.00 . A A . 2 LYS CA 1 1 11 7450 1 1 2 LYS CB C -4.576 -9.592 2.158 1.00 . A A . 2 LYS CB 1 1 11 7451 1 1 2 LYS CD C -4.796 -11.844 1.045 1.00 . A A . 2 LYS CD 1 1 11 7452 1 1 2 LYS CE C -5.628 -11.860 -0.239 1.00 . A A . 2 LYS CE 1 1 11 7453 1 1 2 LYS CG C -3.966 -10.562 1.144 1.00 . A A . 2 LYS CG 1 1 11 7454 1 1 2 LYS H H -4.519 -7.901 4.537 1.00 . A A . 2 LYS H 1 1 11 7455 1 1 2 LYS HA H -2.954 -10.097 3.434 1.00 . A A . 2 LYS HA 1 1 11 7456 1 1 2 LYS HB2 H -5.450 -10.048 2.623 1.00 . A A . 2 LYS HB2 1 1 11 7457 1 1 2 LYS HB3 H -4.921 -8.694 1.645 1.00 . A A . 2 LYS HB3 1 1 11 7458 1 1 2 LYS HD2 H -4.135 -12.711 1.066 1.00 . A A . 2 LYS HD2 1 1 11 7459 1 1 2 LYS HD3 H -5.454 -11.923 1.910 1.00 . A A . 2 LYS HD3 1 1 11 7460 1 1 2 LYS HE2 H -5.320 -11.042 -0.890 1.00 . A A . 2 LYS HE2 1 1 11 7461 1 1 2 LYS HE3 H -5.447 -12.786 -0.785 1.00 . A A . 2 LYS HE3 1 1 11 7462 1 1 2 LYS HG2 H -3.910 -10.084 0.166 1.00 . A A . 2 LYS HG2 1 1 11 7463 1 1 2 LYS HG3 H -2.946 -10.807 1.438 1.00 . A A . 2 LYS HG3 1 1 11 7464 1 1 2 LYS HZ1 H -7.647 -11.831 -0.752 1.00 . A A . 2 LYS HZ1 1 1 11 7465 1 1 2 LYS HZ3 H -7.291 -10.838 0.489 1.00 . A A . 2 LYS HZ3 1 1 11 7466 1 1 2 LYS N N -4.232 -8.857 4.471 1.00 . A A . 2 LYS N 1 1 11 7467 1 1 2 LYS NZ N -7.068 -11.737 0.076 1.00 . A A . 2 LYS NZ 1 1 11 7468 1 1 2 LYS O O -2.596 -7.024 3.466 1.00 . A A . 2 LYS O 1 1 11 7469 1 1 3 LYS C C -1.317 -6.971 -0.197 1.00 . A A . 3 LYS C 1 1 11 7470 1 1 3 LYS CA C -0.950 -7.320 1.246 1.00 . A A . 3 LYS CA 1 1 11 7471 1 1 3 LYS CB C 0.492 -7.804 1.414 1.00 . A A . 3 LYS CB 1 1 11 7472 1 1 3 LYS CD C 0.769 -8.490 3.825 1.00 . A A . 3 LYS CD 1 1 11 7473 1 1 3 LYS CE C -0.311 -8.039 4.810 1.00 . A A . 3 LYS CE 1 1 11 7474 1 1 3 LYS CG C 1.048 -7.405 2.783 1.00 . A A . 3 LYS CG 1 1 11 7475 1 1 3 LYS H H -1.911 -9.169 1.233 1.00 . A A . 3 LYS H 1 1 11 7476 1 1 3 LYS HA H -1.063 -6.425 1.858 1.00 . A A . 3 LYS HA 1 1 11 7477 1 1 3 LYS HB2 H 0.531 -8.888 1.303 1.00 . A A . 3 LYS HB2 1 1 11 7478 1 1 3 LYS HB3 H 1.115 -7.381 0.627 1.00 . A A . 3 LYS HB3 1 1 11 7479 1 1 3 LYS HD2 H 0.452 -9.406 3.326 1.00 . A A . 3 LYS HD2 1 1 11 7480 1 1 3 LYS HD3 H 1.686 -8.723 4.367 1.00 . A A . 3 LYS HD3 1 1 11 7481 1 1 3 LYS HE2 H -0.578 -7.000 4.616 1.00 . A A . 3 LYS HE2 1 1 11 7482 1 1 3 LYS HE3 H -1.215 -8.632 4.665 1.00 . A A . 3 LYS HE3 1 1 11 7483 1 1 3 LYS HG2 H 2.122 -7.236 2.707 1.00 . A A . 3 LYS HG2 1 1 11 7484 1 1 3 LYS HG3 H 0.599 -6.465 3.102 1.00 . A A . 3 LYS HG3 1 1 11 7485 1 1 3 LYS HZ1 H -0.567 -8.513 6.823 1.00 . A A . 3 LYS HZ1 1 1 11 7486 1 1 3 LYS HZ3 H 0.497 -7.304 6.585 1.00 . A A . 3 LYS HZ3 1 1 11 7487 1 1 3 LYS N N -1.882 -8.314 1.752 1.00 . A A . 3 LYS N 1 1 11 7488 1 1 3 LYS NZ N 0.165 -8.183 6.204 1.00 . A A . 3 LYS NZ 1 1 11 7489 1 1 3 LYS O O -1.776 -7.828 -0.950 1.00 . A A . 3 LYS O 1 1 11 7490 1 1 4 TYR C C -0.128 -4.823 -2.617 1.00 . A A . 4 TYR C 1 1 11 7491 1 1 4 TYR CA C -1.403 -5.236 -1.880 1.00 . A A . 4 TYR CA 1 1 11 7492 1 1 4 TYR CB C -2.295 -4.005 -1.701 1.00 . A A . 4 TYR CB 1 1 11 7493 1 1 4 TYR CD1 C -2.564 -3.704 0.788 1.00 . A A . 4 TYR CD1 1 1 11 7494 1 1 4 TYR CD2 C -4.473 -4.373 -0.486 1.00 . A A . 4 TYR CD2 1 1 11 7495 1 1 4 TYR CE1 C -3.358 -3.726 1.989 1.00 . A A . 4 TYR CE1 1 1 11 7496 1 1 4 TYR CE2 C -5.267 -4.395 0.715 1.00 . A A . 4 TYR CE2 1 1 11 7497 1 1 4 TYR CG C -3.139 -4.028 -0.425 1.00 . A A . 4 TYR CG 1 1 11 7498 1 1 4 TYR CZ C -4.670 -4.070 1.893 1.00 . A A . 4 TYR CZ 1 1 11 7499 1 1 4 TYR H H -0.727 -5.018 0.078 1.00 . A A . 4 TYR H 1 1 11 7500 1 1 4 TYR HA H -1.882 -6.050 -2.425 1.00 . A A . 4 TYR HA 1 1 11 7501 1 1 4 TYR HB2 H -1.669 -3.113 -1.695 1.00 . A A . 4 TYR HB2 1 1 11 7502 1 1 4 TYR HB3 H -2.959 -3.922 -2.562 1.00 . A A . 4 TYR HB3 1 1 11 7503 1 1 4 TYR HD1 H -1.510 -3.432 0.836 1.00 . A A . 4 TYR HD1 1 1 11 7504 1 1 4 TYR HD2 H -4.927 -4.629 -1.444 1.00 . A A . 4 TYR HD2 1 1 11 7505 1 1 4 TYR HE1 H -2.917 -3.472 2.953 1.00 . A A . 4 TYR HE1 1 1 11 7506 1 1 4 TYR HE2 H -6.323 -4.665 0.681 1.00 . A A . 4 TYR HE2 1 1 11 7507 1 1 4 TYR HH H -6.287 -3.617 2.873 1.00 . A A . 4 TYR HH 1 1 11 7508 1 1 4 TYR N N -1.101 -5.709 -0.540 1.00 . A A . 4 TYR N 1 1 11 7509 1 1 4 TYR O O 0.978 -5.070 -2.137 1.00 . A A . 4 TYR O 1 1 11 7510 1 1 4 TYR OH O -5.420 -4.090 3.028 1.00 . A A . 4 TYR OH 1 1 11 7511 1 1 5 VAL C C 0.330 -2.642 -5.521 1.00 . A A . 5 VAL C 1 1 11 7512 1 1 5 VAL CA C 0.798 -3.752 -4.578 1.00 . A A . 5 VAL CA 1 1 11 7513 1 1 5 VAL CB C 1.421 -4.940 -5.315 1.00 . A A . 5 VAL CB 1 1 11 7514 1 1 5 VAL CG1 C 2.469 -4.469 -6.325 1.00 . A A . 5 VAL CG1 1 1 11 7515 1 1 5 VAL CG2 C 2.021 -5.943 -4.329 1.00 . A A . 5 VAL CG2 1 1 11 7516 1 1 5 VAL H H -1.226 -4.004 -4.154 1.00 . A A . 5 VAL H 1 1 11 7517 1 1 5 VAL HA H 1.548 -3.344 -3.901 1.00 . A A . 5 VAL HA 1 1 11 7518 1 1 5 VAL HB H 0.628 -5.445 -5.866 1.00 . A A . 5 VAL HB 1 1 11 7519 1 1 5 VAL HG11 H 2.748 -3.438 -6.106 1.00 . A A . 5 VAL HG11 1 1 11 7520 1 1 5 VAL HG12 H 3.351 -5.106 -6.257 1.00 . A A . 5 VAL HG12 1 1 11 7521 1 1 5 VAL HG13 H 2.056 -4.527 -7.332 1.00 . A A . 5 VAL HG13 1 1 11 7522 1 1 5 VAL HG21 H 2.639 -6.660 -4.870 1.00 . A A . 5 VAL HG21 1 1 11 7523 1 1 5 VAL HG22 H 2.634 -5.414 -3.599 1.00 . A A . 5 VAL HG22 1 1 11 7524 1 1 5 VAL HG23 H 1.219 -6.472 -3.814 1.00 . A A . 5 VAL HG23 1 1 11 7525 1 1 5 VAL N N -0.323 -4.201 -3.771 1.00 . A A . 5 VAL N 1 1 11 7526 1 1 5 VAL O O -0.743 -2.740 -6.116 1.00 . A A . 5 VAL O 1 1 11 7527 1 1 6 CYS C C 0.721 -0.997 -7.926 1.00 . A A . 6 CYS C 1 1 11 7528 1 1 6 CYS CA C 0.840 -0.486 -6.489 1.00 . A A . 6 CYS CA 1 1 11 7529 1 1 6 CYS CB C 1.880 0.630 -6.365 1.00 . A A . 6 CYS CB 1 1 11 7530 1 1 6 CYS H H 2.027 -1.541 -5.142 1.00 . A A . 6 CYS H 1 1 11 7531 1 1 6 CYS HA H -0.111 -0.083 -6.142 1.00 . A A . 6 CYS HA 1 1 11 7532 1 1 6 CYS HB2 H 1.757 1.116 -5.397 1.00 . A A . 6 CYS HB2 1 1 11 7533 1 1 6 CYS HB3 H 2.874 0.184 -6.374 1.00 . A A . 6 CYS HB3 1 1 11 7534 1 1 6 CYS N N 1.157 -1.613 -5.629 1.00 . A A . 6 CYS N 1 1 11 7535 1 1 6 CYS O O 1.550 -1.785 -8.379 1.00 . A A . 6 CYS O 1 1 11 7536 1 1 6 CYS SG S 1.797 1.905 -7.675 1.00 . A A . 6 CYS SG 1 1 11 7537 1 1 7 THR C C -0.081 0.164 -10.942 1.00 . A A . 7 THR C 1 1 11 7538 1 1 7 THR CA C -0.555 -0.928 -9.980 1.00 . A A . 7 THR CA 1 1 11 7539 1 1 7 THR CB C -2.041 -1.262 -10.125 1.00 . A A . 7 THR CB 1 1 11 7540 1 1 7 THR CG2 C -2.539 -2.203 -9.026 1.00 . A A . 7 THR CG2 1 1 11 7541 1 1 7 THR H H -0.986 0.113 -8.228 1.00 . A A . 7 THR H 1 1 11 7542 1 1 7 THR HA H 0.040 -1.817 -10.187 1.00 . A A . 7 THR HA 1 1 11 7543 1 1 7 THR HB H -2.253 -1.671 -11.113 1.00 . A A . 7 THR HB 1 1 11 7544 1 1 7 THR HG1 H -3.148 0.309 -10.681 1.00 . A A . 7 THR HG1 1 1 11 7545 1 1 7 THR HG21 H -3.467 -1.814 -8.607 1.00 . A A . 7 THR HG21 1 1 11 7546 1 1 7 THR HG22 H -2.717 -3.192 -9.447 1.00 . A A . 7 THR HG22 1 1 11 7547 1 1 7 THR HG23 H -1.787 -2.273 -8.239 1.00 . A A . 7 THR HG23 1 1 11 7548 1 1 7 THR N N -0.316 -0.528 -8.604 1.00 . A A . 7 THR N 1 1 11 7549 1 1 7 THR O O -0.755 0.464 -11.926 1.00 . A A . 7 THR O 1 1 11 7550 1 1 7 THR OG1 O -2.702 -0.030 -9.853 1.00 . A A . 7 THR OG1 1 1 11 7551 1 1 8 VAL C C 3.161 1.582 -11.540 1.00 . A A . 8 VAL C 1 1 11 7552 1 1 8 VAL CA C 1.647 1.779 -11.448 1.00 . A A . 8 VAL CA 1 1 11 7553 1 1 8 VAL CB C 1.254 3.150 -10.893 1.00 . A A . 8 VAL CB 1 1 11 7554 1 1 8 VAL CG1 C 1.708 4.271 -11.831 1.00 . A A . 8 VAL CG1 1 1 11 7555 1 1 8 VAL CG2 C -0.252 3.226 -10.636 1.00 . A A . 8 VAL CG2 1 1 11 7556 1 1 8 VAL H H 1.617 0.477 -9.822 1.00 . A A . 8 VAL H 1 1 11 7557 1 1 8 VAL HA H 1.219 1.684 -12.446 1.00 . A A . 8 VAL HA 1 1 11 7558 1 1 8 VAL HB H 1.764 3.284 -9.939 1.00 . A A . 8 VAL HB 1 1 11 7559 1 1 8 VAL HG11 H 2.725 4.568 -11.575 1.00 . A A . 8 VAL HG11 1 1 11 7560 1 1 8 VAL HG12 H 1.682 3.916 -12.861 1.00 . A A . 8 VAL HG12 1 1 11 7561 1 1 8 VAL HG13 H 1.041 5.126 -11.724 1.00 . A A . 8 VAL HG13 1 1 11 7562 1 1 8 VAL HG21 H -0.560 2.377 -10.026 1.00 . A A . 8 VAL HG21 1 1 11 7563 1 1 8 VAL HG22 H -0.484 4.154 -10.112 1.00 . A A . 8 VAL HG22 1 1 11 7564 1 1 8 VAL HG23 H -0.785 3.203 -11.587 1.00 . A A . 8 VAL HG23 1 1 11 7565 1 1 8 VAL N N 1.075 0.727 -10.624 1.00 . A A . 8 VAL N 1 1 11 7566 1 1 8 VAL O O 3.739 1.683 -12.621 1.00 . A A . 8 VAL O 1 1 11 7567 1 1 9 CYS C C 5.452 -0.289 -9.725 1.00 . A A . 9 CYS C 1 1 11 7568 1 1 9 CYS CA C 5.197 1.094 -10.328 1.00 . A A . 9 CYS CA 1 1 11 7569 1 1 9 CYS CB C 5.897 2.200 -9.537 1.00 . A A . 9 CYS CB 1 1 11 7570 1 1 9 CYS H H 3.283 1.225 -9.516 1.00 . A A . 9 CYS H 1 1 11 7571 1 1 9 CYS HA H 5.565 1.143 -11.352 1.00 . A A . 9 CYS HA 1 1 11 7572 1 1 9 CYS HB2 H 6.946 2.231 -9.833 1.00 . A A . 9 CYS HB2 1 1 11 7573 1 1 9 CYS HB3 H 5.459 3.159 -9.814 1.00 . A A . 9 CYS HB3 1 1 11 7574 1 1 9 CYS N N 3.760 1.305 -10.391 1.00 . A A . 9 CYS N 1 1 11 7575 1 1 9 CYS O O 6.210 -1.082 -10.282 1.00 . A A . 9 CYS O 1 1 11 7576 1 1 9 CYS SG S 5.808 2.018 -7.718 1.00 . A A . 9 CYS SG 1 1 11 7577 1 1 10 GLY C C 5.645 -1.626 -6.557 1.00 . A A . 10 GLY C 1 1 11 7578 1 1 10 GLY CA C 4.955 -1.808 -7.910 1.00 . A A . 10 GLY CA 1 1 11 7579 1 1 10 GLY H H 4.192 0.116 -8.148 1.00 . A A . 10 GLY H 1 1 11 7580 1 1 10 GLY HA2 H 3.975 -2.263 -7.764 1.00 . A A . 10 GLY HA2 1 1 11 7581 1 1 10 GLY HA3 H 5.535 -2.492 -8.529 1.00 . A A . 10 GLY HA3 1 1 11 7582 1 1 10 GLY N N 4.807 -0.535 -8.595 1.00 . A A . 10 GLY N 1 1 11 7583 1 1 10 GLY O O 6.872 -1.598 -6.480 1.00 . A A . 10 GLY O 1 1 11 7584 1 1 11 TYR C C 4.446 -2.022 -3.148 1.00 . A A . 11 TYR C 1 1 11 7585 1 1 11 TYR CA C 5.342 -1.327 -4.176 1.00 . A A . 11 TYR CA 1 1 11 7586 1 1 11 TYR CB C 5.323 0.181 -3.914 1.00 . A A . 11 TYR CB 1 1 11 7587 1 1 11 TYR CD1 C 6.371 0.087 -1.623 1.00 . A A . 11 TYR CD1 1 1 11 7588 1 1 11 TYR CD2 C 4.367 1.361 -1.901 1.00 . A A . 11 TYR CD2 1 1 11 7589 1 1 11 TYR CE1 C 6.401 0.439 -0.227 1.00 . A A . 11 TYR CE1 1 1 11 7590 1 1 11 TYR CE2 C 4.397 1.713 -0.505 1.00 . A A . 11 TYR CE2 1 1 11 7591 1 1 11 TYR CG C 5.355 0.555 -2.431 1.00 . A A . 11 TYR CG 1 1 11 7592 1 1 11 TYR CZ C 5.412 1.235 0.263 1.00 . A A . 11 TYR CZ 1 1 11 7593 1 1 11 TYR H H 3.828 -1.529 -5.593 1.00 . A A . 11 TYR H 1 1 11 7594 1 1 11 TYR HA H 6.338 -1.767 -4.136 1.00 . A A . 11 TYR HA 1 1 11 7595 1 1 11 TYR HB2 H 6.179 0.636 -4.411 1.00 . A A . 11 TYR HB2 1 1 11 7596 1 1 11 TYR HB3 H 4.427 0.607 -4.366 1.00 . A A . 11 TYR HB3 1 1 11 7597 1 1 11 TYR HD1 H 7.150 -0.550 -2.041 1.00 . A A . 11 TYR HD1 1 1 11 7598 1 1 11 TYR HD2 H 3.565 1.731 -2.539 1.00 . A A . 11 TYR HD2 1 1 11 7599 1 1 11 TYR HE1 H 7.197 0.076 0.423 1.00 . A A . 11 TYR HE1 1 1 11 7600 1 1 11 TYR HE2 H 3.624 2.349 -0.074 1.00 . A A . 11 TYR HE2 1 1 11 7601 1 1 11 TYR HH H 6.262 2.102 1.782 1.00 . A A . 11 TYR HH 1 1 11 7602 1 1 11 TYR N N 4.825 -1.506 -5.522 1.00 . A A . 11 TYR N 1 1 11 7603 1 1 11 TYR O O 3.439 -1.462 -2.718 1.00 . A A . 11 TYR O 1 1 11 7604 1 1 11 TYR OH O 5.441 1.568 1.582 1.00 . A A . 11 TYR OH 1 1 11 7605 1 1 12 GLU C C 4.060 -3.289 -0.467 1.00 . A A . 12 GLU C 1 1 11 7606 1 1 12 GLU CA C 4.092 -4.009 -1.816 1.00 . A A . 12 GLU CA 1 1 11 7607 1 1 12 GLU CB C 4.672 -5.418 -1.672 1.00 . A A . 12 GLU CB 1 1 11 7608 1 1 12 GLU CD C 3.760 -7.765 -1.544 1.00 . A A . 12 GLU CD 1 1 11 7609 1 1 12 GLU CG C 3.683 -6.349 -0.969 1.00 . A A . 12 GLU CG 1 1 11 7610 1 1 12 GLU H H 5.666 -3.680 -3.140 1.00 . A A . 12 GLU H 1 1 11 7611 1 1 12 GLU HA H 3.083 -4.079 -2.223 1.00 . A A . 12 GLU HA 1 1 11 7612 1 1 12 GLU HB2 H 4.916 -5.817 -2.657 1.00 . A A . 12 GLU HB2 1 1 11 7613 1 1 12 GLU HB3 H 5.603 -5.375 -1.106 1.00 . A A . 12 GLU HB3 1 1 11 7614 1 1 12 GLU HE2 H 5.221 -8.177 -0.430 1.00 . A A . 12 GLU HE2 1 1 11 7615 1 1 12 GLU HG2 H 3.899 -6.375 0.099 1.00 . A A . 12 GLU HG2 1 1 11 7616 1 1 12 GLU HG3 H 2.671 -5.962 -1.081 1.00 . A A . 12 GLU HG3 1 1 11 7617 1 1 12 GLU N N 4.846 -3.232 -2.785 1.00 . A A . 12 GLU N 1 1 11 7618 1 1 12 GLU O O 5.105 -3.020 0.122 1.00 . A A . 12 GLU O 1 1 11 7619 1 1 12 GLU OE1 O 3.219 -8.023 -2.630 1.00 . A A . 12 GLU OE1 1 1 11 7620 1 1 12 GLU OE2 O 4.410 -8.613 -0.821 1.00 . A A . 12 GLU OE2 1 1 11 7621 1 1 13 TYR C C 2.484 -3.315 2.394 1.00 . A A . 13 TYR C 1 1 11 7622 1 1 13 TYR CA C 2.666 -2.313 1.252 1.00 . A A . 13 TYR CA 1 1 11 7623 1 1 13 TYR CB C 1.387 -1.486 1.106 1.00 . A A . 13 TYR CB 1 1 11 7624 1 1 13 TYR CD1 C 1.522 -0.076 3.191 1.00 . A A . 13 TYR CD1 1 1 11 7625 1 1 13 TYR CD2 C -0.410 -1.446 2.874 1.00 . A A . 13 TYR CD2 1 1 11 7626 1 1 13 TYR CE1 C 0.983 0.395 4.441 1.00 . A A . 13 TYR CE1 1 1 11 7627 1 1 13 TYR CE2 C -0.950 -0.975 4.123 1.00 . A A . 13 TYR CE2 1 1 11 7628 1 1 13 TYR CG C 0.814 -0.986 2.434 1.00 . A A . 13 TYR CG 1 1 11 7629 1 1 13 TYR CZ C -0.226 -0.078 4.845 1.00 . A A . 13 TYR CZ 1 1 11 7630 1 1 13 TYR H H 2.003 -3.219 -0.502 1.00 . A A . 13 TYR H 1 1 11 7631 1 1 13 TYR HA H 3.557 -1.714 1.443 1.00 . A A . 13 TYR HA 1 1 11 7632 1 1 13 TYR HB2 H 1.592 -0.629 0.465 1.00 . A A . 13 TYR HB2 1 1 11 7633 1 1 13 TYR HB3 H 0.633 -2.089 0.601 1.00 . A A . 13 TYR HB3 1 1 11 7634 1 1 13 TYR HD1 H 2.490 0.287 2.844 1.00 . A A . 13 TYR HD1 1 1 11 7635 1 1 13 TYR HD2 H -0.970 -2.165 2.275 1.00 . A A . 13 TYR HD2 1 1 11 7636 1 1 13 TYR HE1 H 1.532 1.114 5.049 1.00 . A A . 13 TYR HE1 1 1 11 7637 1 1 13 TYR HE2 H -1.916 -1.330 4.482 1.00 . A A . 13 TYR HE2 1 1 11 7638 1 1 13 TYR HH H -0.131 0.106 6.778 1.00 . A A . 13 TYR HH 1 1 11 7639 1 1 13 TYR N N 2.848 -2.997 -0.017 1.00 . A A . 13 TYR N 1 1 11 7640 1 1 13 TYR O O 1.933 -4.396 2.194 1.00 . A A . 13 TYR O 1 1 11 7641 1 1 13 TYR OH O -0.736 0.366 6.025 1.00 . A A . 13 TYR OH 1 1 11 7642 1 1 14 ASP C C 1.979 -3.080 5.789 1.00 . A A . 14 ASP C 1 1 11 7643 1 1 14 ASP CA C 2.854 -3.770 4.741 1.00 . A A . 14 ASP CA 1 1 11 7644 1 1 14 ASP CB C 4.229 -4.020 5.363 1.00 . A A . 14 ASP CB 1 1 11 7645 1 1 14 ASP CG C 4.853 -5.376 5.029 1.00 . A A . 14 ASP CG 1 1 11 7646 1 1 14 ASP H H 3.405 -2.039 3.721 1.00 . A A . 14 ASP H 1 1 11 7647 1 1 14 ASP HA H 2.418 -4.702 4.381 1.00 . A A . 14 ASP HA 1 1 11 7648 1 1 14 ASP HB2 H 4.909 -3.234 5.034 1.00 . A A . 14 ASP HB2 1 1 11 7649 1 1 14 ASP HB3 H 4.142 -3.934 6.446 1.00 . A A . 14 ASP HB3 1 1 11 7650 1 1 14 ASP HD2 H 5.263 -4.602 3.362 1.00 . A A . 14 ASP HD2 1 1 11 7651 1 1 14 ASP N N 2.958 -2.920 3.567 1.00 . A A . 14 ASP N 1 1 11 7652 1 1 14 ASP O O 2.422 -2.145 6.454 1.00 . A A . 14 ASP O 1 1 11 7653 1 1 14 ASP OD1 O 4.902 -6.282 5.874 1.00 . A A . 14 ASP OD1 1 1 11 7654 1 1 14 ASP OD2 O 5.308 -5.486 3.826 1.00 . A A . 14 ASP OD2 1 1 11 7655 1 1 15 PRO C C 0.123 -3.457 8.289 1.00 . A A . 15 PRO C 1 1 11 7656 1 1 15 PRO CA C -0.221 -3.022 6.863 1.00 . A A . 15 PRO CA 1 1 11 7657 1 1 15 PRO CB C -1.584 -3.512 6.405 1.00 . A A . 15 PRO CB 1 1 11 7658 1 1 15 PRO CD C 0.161 -4.687 5.136 1.00 . A A . 15 PRO CD 1 1 11 7659 1 1 15 PRO CG C -1.316 -4.698 5.492 1.00 . A A . 15 PRO CG 1 1 11 7660 1 1 15 PRO HA H -0.166 -2.023 6.862 1.00 . A A . 15 PRO HA 1 1 11 7661 1 1 15 PRO HB2 H -2.200 -3.805 7.256 1.00 . A A . 15 PRO HB2 1 1 11 7662 1 1 15 PRO HB3 H -2.125 -2.727 5.877 1.00 . A A . 15 PRO HB3 1 1 11 7663 1 1 15 PRO HD2 H 0.638 -5.632 5.396 1.00 . A A . 15 PRO HD2 1 1 11 7664 1 1 15 PRO HD3 H 0.310 -4.539 4.066 1.00 . A A . 15 PRO HD3 1 1 11 7665 1 1 15 PRO HG2 H -1.582 -5.630 5.990 1.00 . A A . 15 PRO HG2 1 1 11 7666 1 1 15 PRO HG3 H -1.927 -4.632 4.592 1.00 . A A . 15 PRO HG3 1 1 11 7667 1 1 15 PRO N N 0.720 -3.580 5.907 1.00 . A A . 15 PRO N 1 1 11 7668 1 1 15 PRO O O -0.108 -2.714 9.241 1.00 . A A . 15 PRO O 1 1 11 7669 1 1 16 ALA C C 2.328 -4.517 10.166 1.00 . A A . 16 ALA C 1 1 11 7670 1 1 16 ALA CA C 1.048 -5.203 9.684 1.00 . A A . 16 ALA CA 1 1 11 7671 1 1 16 ALA CB C 1.207 -6.721 9.574 1.00 . A A . 16 ALA CB 1 1 11 7672 1 1 16 ALA H H 0.855 -5.258 7.611 1.00 . A A . 16 ALA H 1 1 11 7673 1 1 16 ALA HA H 0.242 -4.985 10.384 1.00 . A A . 16 ALA HA 1 1 11 7674 1 1 16 ALA HB1 H 1.270 -7.153 10.573 1.00 . A A . 16 ALA HB1 1 1 11 7675 1 1 16 ALA HB2 H 0.346 -7.139 9.051 1.00 . A A . 16 ALA HB2 1 1 11 7676 1 1 16 ALA HB3 H 2.116 -6.952 9.019 1.00 . A A . 16 ALA HB3 1 1 11 7677 1 1 16 ALA N N 0.670 -4.660 8.391 1.00 . A A . 16 ALA N 1 1 11 7678 1 1 16 ALA O O 2.783 -4.759 11.283 1.00 . A A . 16 ALA O 1 1 11 7679 1 1 17 GLU C C 3.819 -1.445 9.662 1.00 . A A . 17 GLU C 1 1 11 7680 1 1 17 GLU CA C 4.089 -2.951 9.625 1.00 . A A . 17 GLU CA 1 1 11 7681 1 1 17 GLU CB C 5.205 -3.283 8.631 1.00 . A A . 17 GLU CB 1 1 11 7682 1 1 17 GLU CD C 6.928 -3.967 10.341 1.00 . A A . 17 GLU CD 1 1 11 7683 1 1 17 GLU CG C 6.580 -2.976 9.228 1.00 . A A . 17 GLU CG 1 1 11 7684 1 1 17 GLU H H 2.494 -3.483 8.394 1.00 . A A . 17 GLU H 1 1 11 7685 1 1 17 GLU HA H 4.378 -3.300 10.616 1.00 . A A . 17 GLU HA 1 1 11 7686 1 1 17 GLU HB2 H 5.150 -4.336 8.357 1.00 . A A . 17 GLU HB2 1 1 11 7687 1 1 17 GLU HB3 H 5.065 -2.708 7.716 1.00 . A A . 17 GLU HB3 1 1 11 7688 1 1 17 GLU HE2 H 6.953 -2.576 11.609 1.00 . A A . 17 GLU HE2 1 1 11 7689 1 1 17 GLU HG2 H 7.338 -3.021 8.446 1.00 . A A . 17 GLU HG2 1 1 11 7690 1 1 17 GLU HG3 H 6.590 -1.961 9.624 1.00 . A A . 17 GLU HG3 1 1 11 7691 1 1 17 GLU N N 2.871 -3.674 9.301 1.00 . A A . 17 GLU N 1 1 11 7692 1 1 17 GLU O O 4.064 -0.792 10.675 1.00 . A A . 17 GLU O 1 1 11 7693 1 1 17 GLU OE1 O 6.732 -5.180 10.174 1.00 . A A . 17 GLU OE1 1 1 11 7694 1 1 17 GLU OE2 O 7.420 -3.437 11.409 1.00 . A A . 17 GLU OE2 1 1 11 7695 1 1 18 GLY C C 3.873 1.145 7.365 1.00 . A A . 18 GLY C 1 1 11 7696 1 1 18 GLY CA C 3.010 0.477 8.437 1.00 . A A . 18 GLY CA 1 1 11 7697 1 1 18 GLY H H 3.120 -1.477 7.726 1.00 . A A . 18 GLY H 1 1 11 7698 1 1 18 GLY HA2 H 1.955 0.607 8.194 1.00 . A A . 18 GLY HA2 1 1 11 7699 1 1 18 GLY HA3 H 3.177 0.963 9.399 1.00 . A A . 18 GLY HA3 1 1 11 7700 1 1 18 GLY N N 3.316 -0.939 8.545 1.00 . A A . 18 GLY N 1 1 11 7701 1 1 18 GLY O O 4.045 0.602 6.275 1.00 . A A . 18 GLY O 1 1 11 7702 1 1 19 ASP C C 5.649 4.381 7.446 1.00 . A A . 19 ASP C 1 1 11 7703 1 1 19 ASP CA C 5.233 3.061 6.792 1.00 . A A . 19 ASP CA 1 1 11 7704 1 1 19 ASP CB C 4.480 3.390 5.501 1.00 . A A . 19 ASP CB 1 1 11 7705 1 1 19 ASP CG C 5.318 3.302 4.224 1.00 . A A . 19 ASP CG 1 1 11 7706 1 1 19 ASP H H 4.246 2.749 8.600 1.00 . A A . 19 ASP H 1 1 11 7707 1 1 19 ASP HA H 6.083 2.411 6.588 1.00 . A A . 19 ASP HA 1 1 11 7708 1 1 19 ASP HB2 H 3.632 2.711 5.409 1.00 . A A . 19 ASP HB2 1 1 11 7709 1 1 19 ASP HB3 H 4.073 4.398 5.582 1.00 . A A . 19 ASP HB3 1 1 11 7710 1 1 19 ASP HD2 H 5.746 1.532 4.704 1.00 . A A . 19 ASP HD2 1 1 11 7711 1 1 19 ASP N N 4.392 2.314 7.711 1.00 . A A . 19 ASP N 1 1 11 7712 1 1 19 ASP O O 4.799 5.182 7.829 1.00 . A A . 19 ASP O 1 1 11 7713 1 1 19 ASP OD1 O 5.611 4.321 3.580 1.00 . A A . 19 ASP OD1 1 1 11 7714 1 1 19 ASP OD2 O 5.679 2.109 3.890 1.00 . A A . 19 ASP OD2 1 1 11 7715 1 1 20 PRO C C 7.405 6.967 7.202 1.00 . A A . 20 PRO C 1 1 11 7716 1 1 20 PRO CA C 7.530 5.778 8.156 1.00 . A A . 20 PRO CA 1 1 11 7717 1 1 20 PRO CB C 8.972 5.438 8.497 1.00 . A A . 20 PRO CB 1 1 11 7718 1 1 20 PRO CD C 8.027 3.642 7.112 1.00 . A A . 20 PRO CD 1 1 11 7719 1 1 20 PRO CG C 9.322 4.220 7.658 1.00 . A A . 20 PRO CG 1 1 11 7720 1 1 20 PRO HA H 7.005 6.025 8.970 1.00 . A A . 20 PRO HA 1 1 11 7721 1 1 20 PRO HB2 H 9.634 6.273 8.268 1.00 . A A . 20 PRO HB2 1 1 11 7722 1 1 20 PRO HB3 H 9.082 5.226 9.560 1.00 . A A . 20 PRO HB3 1 1 11 7723 1 1 20 PRO HD2 H 8.054 3.568 6.024 1.00 . A A . 20 PRO HD2 1 1 11 7724 1 1 20 PRO HD3 H 7.849 2.637 7.495 1.00 . A A . 20 PRO HD3 1 1 11 7725 1 1 20 PRO HG2 H 9.991 4.497 6.843 1.00 . A A . 20 PRO HG2 1 1 11 7726 1 1 20 PRO HG3 H 9.846 3.479 8.262 1.00 . A A . 20 PRO HG3 1 1 11 7727 1 1 20 PRO N N 6.991 4.570 7.555 1.00 . A A . 20 PRO N 1 1 11 7728 1 1 20 PRO O O 7.186 8.096 7.637 1.00 . A A . 20 PRO O 1 1 11 7729 1 1 21 ASP C C 6.352 8.692 5.278 1.00 . A A . 21 ASP C 1 1 11 7730 1 1 21 ASP CA C 7.458 7.704 4.898 1.00 . A A . 21 ASP CA 1 1 11 7731 1 1 21 ASP CB C 7.106 7.102 3.537 1.00 . A A . 21 ASP CB 1 1 11 7732 1 1 21 ASP CG C 7.538 7.937 2.329 1.00 . A A . 21 ASP CG 1 1 11 7733 1 1 21 ASP H H 7.729 5.752 5.572 1.00 . A A . 21 ASP H 1 1 11 7734 1 1 21 ASP HA H 8.442 8.170 4.872 1.00 . A A . 21 ASP HA 1 1 11 7735 1 1 21 ASP HB2 H 7.568 6.117 3.462 1.00 . A A . 21 ASP HB2 1 1 11 7736 1 1 21 ASP HB3 H 6.028 6.953 3.489 1.00 . A A . 21 ASP HB3 1 1 11 7737 1 1 21 ASP HD2 H 9.331 7.539 2.743 1.00 . A A . 21 ASP HD2 1 1 11 7738 1 1 21 ASP N N 7.551 6.673 5.918 1.00 . A A . 21 ASP N 1 1 11 7739 1 1 21 ASP O O 6.574 9.901 5.291 1.00 . A A . 21 ASP O 1 1 11 7740 1 1 21 ASP OD1 O 6.747 8.716 1.776 1.00 . A A . 21 ASP OD1 1 1 11 7741 1 1 21 ASP OD2 O 8.759 7.762 1.954 1.00 . A A . 21 ASP OD2 1 1 11 7742 1 1 22 ASN C C 3.628 8.609 7.386 1.00 . A A . 22 ASN C 1 1 11 7743 1 1 22 ASN CA C 4.046 8.956 5.956 1.00 . A A . 22 ASN CA 1 1 11 7744 1 1 22 ASN CB C 2.850 8.693 5.038 1.00 . A A . 22 ASN CB 1 1 11 7745 1 1 22 ASN CG C 2.949 7.309 4.392 1.00 . A A . 22 ASN CG 1 1 11 7746 1 1 22 ASN H H 5.014 7.154 5.564 1.00 . A A . 22 ASN H 1 1 11 7747 1 1 22 ASN HA H 4.387 9.986 5.859 1.00 . A A . 22 ASN HA 1 1 11 7748 1 1 22 ASN HB2 H 1.925 8.766 5.609 1.00 . A A . 22 ASN HB2 1 1 11 7749 1 1 22 ASN HB3 H 2.808 9.457 4.262 1.00 . A A . 22 ASN HB3 1 1 11 7750 1 1 22 ASN HD21 H 2.697 8.186 2.585 1.00 . A A . 22 ASN HD21 1 1 11 7751 1 1 22 ASN HD22 H 2.886 6.465 2.553 1.00 . A A . 22 ASN HD22 1 1 11 7752 1 1 22 ASN N N 5.186 8.139 5.577 1.00 . A A . 22 ASN N 1 1 11 7753 1 1 22 ASN ND2 N 2.835 7.321 3.067 1.00 . A A . 22 ASN ND2 1 1 11 7754 1 1 22 ASN O O 2.438 8.557 7.694 1.00 . A A . 22 ASN O 1 1 11 7755 1 1 22 ASN OD1 O 3.118 6.298 5.053 1.00 . A A . 22 ASN OD1 1 1 11 7756 1 1 23 GLY C C 3.145 7.153 9.748 1.00 . A A . 23 GLY C 1 1 11 7757 1 1 23 GLY CA C 4.382 8.043 9.613 1.00 . A A . 23 GLY CA 1 1 11 7758 1 1 23 GLY H H 5.595 8.428 7.964 1.00 . A A . 23 GLY H 1 1 11 7759 1 1 23 GLY HA2 H 5.250 7.529 10.027 1.00 . A A . 23 GLY HA2 1 1 11 7760 1 1 23 GLY HA3 H 4.244 8.954 10.195 1.00 . A A . 23 GLY HA3 1 1 11 7761 1 1 23 GLY N N 4.630 8.383 8.223 1.00 . A A . 23 GLY N 1 1 11 7762 1 1 23 GLY O O 2.023 7.652 9.830 1.00 . A A . 23 GLY O 1 1 11 7763 1 1 24 VAL C C 2.684 3.841 10.943 1.00 . A A . 24 VAL C 1 1 11 7764 1 1 24 VAL CA C 2.310 4.888 9.891 1.00 . A A . 24 VAL CA 1 1 11 7765 1 1 24 VAL CB C 1.996 4.276 8.524 1.00 . A A . 24 VAL CB 1 1 11 7766 1 1 24 VAL CG1 C 1.214 2.969 8.675 1.00 . A A . 24 VAL CG1 1 1 11 7767 1 1 24 VAL CG2 C 1.240 5.269 7.639 1.00 . A A . 24 VAL CG2 1 1 11 7768 1 1 24 VAL H H 4.306 5.454 9.700 1.00 . A A . 24 VAL H 1 1 11 7769 1 1 24 VAL HA H 1.426 5.427 10.230 1.00 . A A . 24 VAL HA 1 1 11 7770 1 1 24 VAL HB H 2.943 4.045 8.035 1.00 . A A . 24 VAL HB 1 1 11 7771 1 1 24 VAL HG11 H 0.208 3.188 9.033 1.00 . A A . 24 VAL HG11 1 1 11 7772 1 1 24 VAL HG12 H 1.154 2.468 7.709 1.00 . A A . 24 VAL HG12 1 1 11 7773 1 1 24 VAL HG13 H 1.722 2.322 9.390 1.00 . A A . 24 VAL HG13 1 1 11 7774 1 1 24 VAL HG21 H 1.907 5.644 6.863 1.00 . A A . 24 VAL HG21 1 1 11 7775 1 1 24 VAL HG22 H 0.389 4.768 7.177 1.00 . A A . 24 VAL HG22 1 1 11 7776 1 1 24 VAL HG23 H 0.886 6.101 8.248 1.00 . A A . 24 VAL HG23 1 1 11 7777 1 1 24 VAL N N 3.391 5.851 9.767 1.00 . A A . 24 VAL N 1 1 11 7778 1 1 24 VAL O O 3.855 3.498 11.093 1.00 . A A . 24 VAL O 1 1 11 7779 1 1 25 LYS C C 1.600 0.974 12.098 1.00 . A A . 25 LYS C 1 1 11 7780 1 1 25 LYS CA C 1.872 2.364 12.677 1.00 . A A . 25 LYS CA 1 1 11 7781 1 1 25 LYS CB C 1.033 2.690 13.914 1.00 . A A . 25 LYS CB 1 1 11 7782 1 1 25 LYS CD C -1.320 3.114 14.718 1.00 . A A . 25 LYS CD 1 1 11 7783 1 1 25 LYS CE C -2.089 4.303 14.140 1.00 . A A . 25 LYS CE 1 1 11 7784 1 1 25 LYS CG C -0.454 2.447 13.647 1.00 . A A . 25 LYS CG 1 1 11 7785 1 1 25 LYS H H 0.716 3.649 11.515 1.00 . A A . 25 LYS H 1 1 11 7786 1 1 25 LYS HA H 2.919 2.415 12.976 1.00 . A A . 25 LYS HA 1 1 11 7787 1 1 25 LYS HB2 H 1.360 2.076 14.753 1.00 . A A . 25 LYS HB2 1 1 11 7788 1 1 25 LYS HB3 H 1.189 3.730 14.200 1.00 . A A . 25 LYS HB3 1 1 11 7789 1 1 25 LYS HD2 H -2.021 2.387 15.128 1.00 . A A . 25 LYS HD2 1 1 11 7790 1 1 25 LYS HD3 H -0.690 3.450 15.542 1.00 . A A . 25 LYS HD3 1 1 11 7791 1 1 25 LYS HE2 H -2.367 4.988 14.940 1.00 . A A . 25 LYS HE2 1 1 11 7792 1 1 25 LYS HE3 H -1.451 4.857 13.452 1.00 . A A . 25 LYS HE3 1 1 11 7793 1 1 25 LYS HG2 H -0.719 2.838 12.665 1.00 . A A . 25 LYS HG2 1 1 11 7794 1 1 25 LYS HG3 H -0.654 1.376 13.628 1.00 . A A . 25 LYS HG3 1 1 11 7795 1 1 25 LYS HZ1 H -3.917 4.608 13.186 1.00 . A A . 25 LYS HZ1 1 1 11 7796 1 1 25 LYS HZ3 H -3.850 3.197 13.995 1.00 . A A . 25 LYS HZ3 1 1 11 7797 1 1 25 LYS N N 1.666 3.364 11.644 1.00 . A A . 25 LYS N 1 1 11 7798 1 1 25 LYS NZ N -3.304 3.839 13.432 1.00 . A A . 25 LYS NZ 1 1 11 7799 1 1 25 LYS O O 0.898 0.842 11.097 1.00 . A A . 25 LYS O 1 1 11 7800 1 1 26 PRO C C 0.617 -1.945 12.687 1.00 . A A . 26 PRO C 1 1 11 7801 1 1 26 PRO CA C 2.012 -1.428 12.332 1.00 . A A . 26 PRO CA 1 1 11 7802 1 1 26 PRO CB C 3.125 -2.202 13.020 1.00 . A A . 26 PRO CB 1 1 11 7803 1 1 26 PRO CD C 3.023 0.066 13.959 1.00 . A A . 26 PRO CD 1 1 11 7804 1 1 26 PRO CG C 3.591 -1.328 14.173 1.00 . A A . 26 PRO CG 1 1 11 7805 1 1 26 PRO HA H 2.080 -1.487 11.336 1.00 . A A . 26 PRO HA 1 1 11 7806 1 1 26 PRO HB2 H 2.765 -3.166 13.381 1.00 . A A . 26 PRO HB2 1 1 11 7807 1 1 26 PRO HB3 H 3.943 -2.406 12.329 1.00 . A A . 26 PRO HB3 1 1 11 7808 1 1 26 PRO HD2 H 2.443 0.393 14.822 1.00 . A A . 26 PRO HD2 1 1 11 7809 1 1 26 PRO HD3 H 3.817 0.798 13.812 1.00 . A A . 26 PRO HD3 1 1 11 7810 1 1 26 PRO HG2 H 3.250 -1.737 15.124 1.00 . A A . 26 PRO HG2 1 1 11 7811 1 1 26 PRO HG3 H 4.679 -1.295 14.211 1.00 . A A . 26 PRO HG3 1 1 11 7812 1 1 26 PRO N N 2.185 -0.053 12.770 1.00 . A A . 26 PRO N 1 1 11 7813 1 1 26 PRO O O 0.022 -1.512 13.673 1.00 . A A . 26 PRO O 1 1 11 7814 1 1 27 GLY C C -2.261 -2.639 11.353 1.00 . A A . 27 GLY C 1 1 11 7815 1 1 27 GLY CA C -1.180 -3.445 12.078 1.00 . A A . 27 GLY CA 1 1 11 7816 1 1 27 GLY H H 0.624 -3.211 11.064 1.00 . A A . 27 GLY H 1 1 11 7817 1 1 27 GLY HA2 H -1.189 -4.475 11.722 1.00 . A A . 27 GLY HA2 1 1 11 7818 1 1 27 GLY HA3 H -1.399 -3.475 13.145 1.00 . A A . 27 GLY HA3 1 1 11 7819 1 1 27 GLY N N 0.134 -2.864 11.864 1.00 . A A . 27 GLY N 1 1 11 7820 1 1 27 GLY O O -3.400 -3.087 11.237 1.00 . A A . 27 GLY O 1 1 11 7821 1 1 28 THR C C -3.125 -1.182 8.803 1.00 . A A . 28 THR C 1 1 11 7822 1 1 28 THR CA C -2.784 -0.593 10.174 1.00 . A A . 28 THR CA 1 1 11 7823 1 1 28 THR CB C -2.153 0.798 10.098 1.00 . A A . 28 THR CB 1 1 11 7824 1 1 28 THR CG2 C -3.138 1.862 9.611 1.00 . A A . 28 THR CG2 1 1 11 7825 1 1 28 THR H H -0.935 -1.109 10.983 1.00 . A A . 28 THR H 1 1 11 7826 1 1 28 THR HA H -3.714 -0.541 10.740 1.00 . A A . 28 THR HA 1 1 11 7827 1 1 28 THR HB H -1.256 0.786 9.479 1.00 . A A . 28 THR HB 1 1 11 7828 1 1 28 THR HG1 H -0.930 1.135 11.646 1.00 . A A . 28 THR HG1 1 1 11 7829 1 1 28 THR HG21 H -3.505 1.592 8.621 1.00 . A A . 28 THR HG21 1 1 11 7830 1 1 28 THR HG22 H -3.977 1.925 10.304 1.00 . A A . 28 THR HG22 1 1 11 7831 1 1 28 THR HG23 H -2.635 2.828 9.561 1.00 . A A . 28 THR HG23 1 1 11 7832 1 1 28 THR N N -1.864 -1.465 10.884 1.00 . A A . 28 THR N 1 1 11 7833 1 1 28 THR O O -2.245 -1.672 8.098 1.00 . A A . 28 THR O 1 1 11 7834 1 1 28 THR OG1 O -1.912 1.145 11.459 1.00 . A A . 28 THR OG1 1 1 11 7835 1 1 29 SER C C -4.820 -0.536 6.130 1.00 . A A . 29 SER C 1 1 11 7836 1 1 29 SER CA C -4.873 -1.633 7.194 1.00 . A A . 29 SER CA 1 1 11 7837 1 1 29 SER CB C -6.295 -2.187 7.315 1.00 . A A . 29 SER CB 1 1 11 7838 1 1 29 SER H H -5.114 -0.713 9.048 1.00 . A A . 29 SER H 1 1 11 7839 1 1 29 SER HA H -4.189 -2.443 6.944 1.00 . A A . 29 SER HA 1 1 11 7840 1 1 29 SER HB2 H -6.523 -2.792 6.437 1.00 . A A . 29 SER HB2 1 1 11 7841 1 1 29 SER HB3 H -6.355 -2.846 8.181 1.00 . A A . 29 SER HB3 1 1 11 7842 1 1 29 SER HG H -7.392 -0.694 6.560 1.00 . A A . 29 SER HG 1 1 11 7843 1 1 29 SER N N -4.405 -1.114 8.468 1.00 . A A . 29 SER N 1 1 11 7844 1 1 29 SER O O -4.992 0.642 6.439 1.00 . A A . 29 SER O 1 1 11 7845 1 1 29 SER OG O -7.263 -1.149 7.440 1.00 . A A . 29 SER OG 1 1 11 7846 1 1 30 PHE C C -5.826 0.713 3.599 1.00 . A A . 30 PHE C 1 1 11 7847 1 1 30 PHE CA C -4.502 -0.030 3.786 1.00 . A A . 30 PHE CA 1 1 11 7848 1 1 30 PHE CB C -4.211 -0.855 2.531 1.00 . A A . 30 PHE CB 1 1 11 7849 1 1 30 PHE CD1 C -4.903 0.665 0.665 1.00 . A A . 30 PHE CD1 1 1 11 7850 1 1 30 PHE CD2 C -2.632 0.056 0.814 1.00 . A A . 30 PHE CD2 1 1 11 7851 1 1 30 PHE CE1 C -4.618 1.446 -0.487 1.00 . A A . 30 PHE CE1 1 1 11 7852 1 1 30 PHE CE2 C -2.347 0.837 -0.337 1.00 . A A . 30 PHE CE2 1 1 11 7853 1 1 30 PHE CG C -3.904 -0.013 1.291 1.00 . A A . 30 PHE CG 1 1 11 7854 1 1 30 PHE CZ C -3.346 1.516 -0.963 1.00 . A A . 30 PHE CZ 1 1 11 7855 1 1 30 PHE H H -4.441 -1.922 4.656 1.00 . A A . 30 PHE H 1 1 11 7856 1 1 30 PHE HA H -3.715 0.688 4.020 1.00 . A A . 30 PHE HA 1 1 11 7857 1 1 30 PHE HB2 H -3.365 -1.513 2.729 1.00 . A A . 30 PHE HB2 1 1 11 7858 1 1 30 PHE HB3 H -5.069 -1.493 2.321 1.00 . A A . 30 PHE HB3 1 1 11 7859 1 1 30 PHE HD1 H -5.922 0.609 1.047 1.00 . A A . 30 PHE HD1 1 1 11 7860 1 1 30 PHE HD2 H -1.832 -0.487 1.315 1.00 . A A . 30 PHE HD2 1 1 11 7861 1 1 30 PHE HE1 H -5.418 1.990 -0.988 1.00 . A A . 30 PHE HE1 1 1 11 7862 1 1 30 PHE HE2 H -1.328 0.893 -0.719 1.00 . A A . 30 PHE HE2 1 1 11 7863 1 1 30 PHE HZ H -3.127 2.115 -1.847 1.00 . A A . 30 PHE HZ 1 1 11 7864 1 1 30 PHE N N -4.580 -0.962 4.898 1.00 . A A . 30 PHE N 1 1 11 7865 1 1 30 PHE O O -5.851 1.820 3.063 1.00 . A A . 30 PHE O 1 1 11 7866 1 1 31 ASP C C -8.378 1.757 4.994 1.00 . A A . 31 ASP C 1 1 11 7867 1 1 31 ASP CA C -8.220 0.660 3.939 1.00 . A A . 31 ASP CA 1 1 11 7868 1 1 31 ASP CB C -9.308 -0.388 4.181 1.00 . A A . 31 ASP CB 1 1 11 7869 1 1 31 ASP CG C -9.913 -0.996 2.914 1.00 . A A . 31 ASP CG 1 1 11 7870 1 1 31 ASP H H -6.867 -0.826 4.485 1.00 . A A . 31 ASP H 1 1 11 7871 1 1 31 ASP HA H -8.277 1.048 2.922 1.00 . A A . 31 ASP HA 1 1 11 7872 1 1 31 ASP HB2 H -8.890 -1.191 4.787 1.00 . A A . 31 ASP HB2 1 1 11 7873 1 1 31 ASP HB3 H -10.108 0.068 4.765 1.00 . A A . 31 ASP HB3 1 1 11 7874 1 1 31 ASP HD2 H -10.997 -0.172 1.613 1.00 . A A . 31 ASP HD2 1 1 11 7875 1 1 31 ASP N N -6.895 0.074 4.051 1.00 . A A . 31 ASP N 1 1 11 7876 1 1 31 ASP O O -9.346 2.515 4.966 1.00 . A A . 31 ASP O 1 1 11 7877 1 1 31 ASP OD1 O -9.331 -1.902 2.299 1.00 . A A . 31 ASP OD1 1 1 11 7878 1 1 31 ASP OD2 O -11.048 -0.496 2.557 1.00 . A A . 31 ASP OD2 1 1 11 7879 1 1 32 ASP C C -6.383 3.873 6.668 1.00 . A A . 32 ASP C 1 1 11 7880 1 1 32 ASP CA C -7.431 2.799 6.961 1.00 . A A . 32 ASP CA 1 1 11 7881 1 1 32 ASP CB C -7.095 2.165 8.312 1.00 . A A . 32 ASP CB 1 1 11 7882 1 1 32 ASP CG C -8.208 2.246 9.359 1.00 . A A . 32 ASP CG 1 1 11 7883 1 1 32 ASP H H -6.628 1.186 5.915 1.00 . A A . 32 ASP H 1 1 11 7884 1 1 32 ASP HA H -8.446 3.196 6.963 1.00 . A A . 32 ASP HA 1 1 11 7885 1 1 32 ASP HB2 H -6.843 1.117 8.153 1.00 . A A . 32 ASP HB2 1 1 11 7886 1 1 32 ASP HB3 H -6.205 2.650 8.712 1.00 . A A . 32 ASP HB3 1 1 11 7887 1 1 32 ASP HD2 H -9.143 3.390 10.527 1.00 . A A . 32 ASP HD2 1 1 11 7888 1 1 32 ASP N N -7.412 1.807 5.899 1.00 . A A . 32 ASP N 1 1 11 7889 1 1 32 ASP O O -6.423 4.958 7.246 1.00 . A A . 32 ASP O 1 1 11 7890 1 1 32 ASP OD1 O -8.811 1.228 9.730 1.00 . A A . 32 ASP OD1 1 1 11 7891 1 1 32 ASP OD2 O -8.453 3.432 9.804 1.00 . A A . 32 ASP OD2 1 1 11 7892 1 1 33 LEU C C -5.031 5.775 4.931 1.00 . A A . 33 LEU C 1 1 11 7893 1 1 33 LEU CA C -4.410 4.456 5.396 1.00 . A A . 33 LEU CA 1 1 11 7894 1 1 33 LEU CB C -3.483 3.815 4.361 1.00 . A A . 33 LEU CB 1 1 11 7895 1 1 33 LEU CD1 C -1.444 2.443 3.797 1.00 . A A . 33 LEU CD1 1 1 11 7896 1 1 33 LEU CD2 C -1.577 3.682 6.007 1.00 . A A . 33 LEU CD2 1 1 11 7897 1 1 33 LEU CG C -2.357 2.942 4.919 1.00 . A A . 33 LEU CG 1 1 11 7898 1 1 33 LEU H H -5.442 2.649 5.306 1.00 . A A . 33 LEU H 1 1 11 7899 1 1 33 LEU HA H -3.813 4.650 6.287 1.00 . A A . 33 LEU HA 1 1 11 7900 1 1 33 LEU HB2 H -4.088 3.207 3.688 1.00 . A A . 33 LEU HB2 1 1 11 7901 1 1 33 LEU HB3 H -3.038 4.608 3.761 1.00 . A A . 33 LEU HB3 1 1 11 7902 1 1 33 LEU HD11 H -1.848 1.519 3.383 1.00 . A A . 33 LEU HD11 1 1 11 7903 1 1 33 LEU HD12 H -1.385 3.198 3.013 1.00 . A A . 33 LEU HD12 1 1 11 7904 1 1 33 LEU HD13 H -0.447 2.256 4.197 1.00 . A A . 33 LEU HD13 1 1 11 7905 1 1 33 LEU HD21 H -1.353 4.694 5.669 1.00 . A A . 33 LEU HD21 1 1 11 7906 1 1 33 LEU HD22 H -2.176 3.727 6.916 1.00 . A A . 33 LEU HD22 1 1 11 7907 1 1 33 LEU HD23 H -0.646 3.153 6.210 1.00 . A A . 33 LEU HD23 1 1 11 7908 1 1 33 LEU HG H -2.805 2.064 5.384 1.00 . A A . 33 LEU HG 1 1 11 7909 1 1 33 LEU N N -5.468 3.534 5.772 1.00 . A A . 33 LEU N 1 1 11 7910 1 1 33 LEU O O -6.189 5.809 4.519 1.00 . A A . 33 LEU O 1 1 11 7911 1 1 34 PRO C C -4.720 8.292 3.085 1.00 . A A . 34 PRO C 1 1 11 7912 1 1 34 PRO CA C -4.668 8.176 4.610 1.00 . A A . 34 PRO CA 1 1 11 7913 1 1 34 PRO CB C -3.685 9.145 5.246 1.00 . A A . 34 PRO CB 1 1 11 7914 1 1 34 PRO CD C -2.834 6.854 5.500 1.00 . A A . 34 PRO CD 1 1 11 7915 1 1 34 PRO CG C -2.455 8.323 5.596 1.00 . A A . 34 PRO CG 1 1 11 7916 1 1 34 PRO HA H -5.603 8.333 4.928 1.00 . A A . 34 PRO HA 1 1 11 7917 1 1 34 PRO HB2 H -3.433 9.953 4.559 1.00 . A A . 34 PRO HB2 1 1 11 7918 1 1 34 PRO HB3 H -4.113 9.607 6.136 1.00 . A A . 34 PRO HB3 1 1 11 7919 1 1 34 PRO HD2 H -2.175 6.320 4.815 1.00 . A A . 34 PRO HD2 1 1 11 7920 1 1 34 PRO HD3 H -2.755 6.361 6.468 1.00 . A A . 34 PRO HD3 1 1 11 7921 1 1 34 PRO HG2 H -1.637 8.552 4.913 1.00 . A A . 34 PRO HG2 1 1 11 7922 1 1 34 PRO HG3 H -2.109 8.564 6.601 1.00 . A A . 34 PRO HG3 1 1 11 7923 1 1 34 PRO N N -4.211 6.857 5.016 1.00 . A A . 34 PRO N 1 1 11 7924 1 1 34 PRO O O -4.132 7.476 2.376 1.00 . A A . 34 PRO O 1 1 11 7925 1 1 35 ALA C C -4.272 10.155 0.659 1.00 . A A . 35 ALA C 1 1 11 7926 1 1 35 ALA CA C -5.567 9.545 1.198 1.00 . A A . 35 ALA CA 1 1 11 7927 1 1 35 ALA CB C -6.783 10.438 0.941 1.00 . A A . 35 ALA CB 1 1 11 7928 1 1 35 ALA H H -5.905 9.970 3.209 1.00 . A A . 35 ALA H 1 1 11 7929 1 1 35 ALA HA H -5.732 8.580 0.718 1.00 . A A . 35 ALA HA 1 1 11 7930 1 1 35 ALA HB1 H -6.453 11.464 0.780 1.00 . A A . 35 ALA HB1 1 1 11 7931 1 1 35 ALA HB2 H -7.313 10.083 0.057 1.00 . A A . 35 ALA HB2 1 1 11 7932 1 1 35 ALA HB3 H -7.449 10.401 1.803 1.00 . A A . 35 ALA HB3 1 1 11 7933 1 1 35 ALA N N -5.430 9.312 2.626 1.00 . A A . 35 ALA N 1 1 11 7934 1 1 35 ALA O O -3.915 9.940 -0.499 1.00 . A A . 35 ALA O 1 1 11 7935 1 1 36 ASP C C -1.203 10.552 1.320 1.00 . A A . 36 ASP C 1 1 11 7936 1 1 36 ASP CA C -2.354 11.545 1.148 1.00 . A A . 36 ASP CA 1 1 11 7937 1 1 36 ASP CB C -2.070 12.758 2.037 1.00 . A A . 36 ASP CB 1 1 11 7938 1 1 36 ASP CG C -3.088 13.894 1.926 1.00 . A A . 36 ASP CG 1 1 11 7939 1 1 36 ASP H H -3.899 11.073 2.463 1.00 . A A . 36 ASP H 1 1 11 7940 1 1 36 ASP HA H -2.490 11.851 0.111 1.00 . A A . 36 ASP HA 1 1 11 7941 1 1 36 ASP HB2 H -2.029 12.427 3.075 1.00 . A A . 36 ASP HB2 1 1 11 7942 1 1 36 ASP HB3 H -1.083 13.148 1.789 1.00 . A A . 36 ASP HB3 1 1 11 7943 1 1 36 ASP HD2 H -3.403 15.553 2.761 1.00 . A A . 36 ASP HD2 1 1 11 7944 1 1 36 ASP N N -3.602 10.903 1.523 1.00 . A A . 36 ASP N 1 1 11 7945 1 1 36 ASP O O -0.035 10.938 1.287 1.00 . A A . 36 ASP O 1 1 11 7946 1 1 36 ASP OD1 O -4.229 13.689 1.487 1.00 . A A . 36 ASP OD1 1 1 11 7947 1 1 36 ASP OD2 O -2.663 15.047 2.318 1.00 . A A . 36 ASP OD2 1 1 11 7948 1 1 37 TRP C C -0.010 7.896 0.302 1.00 . A A . 37 TRP C 1 1 11 7949 1 1 37 TRP CA C -0.585 8.242 1.678 1.00 . A A . 37 TRP CA 1 1 11 7950 1 1 37 TRP CB C -1.193 7.033 2.392 1.00 . A A . 37 TRP CB 1 1 11 7951 1 1 37 TRP CD1 C 0.665 5.623 3.497 1.00 . A A . 37 TRP CD1 1 1 11 7952 1 1 37 TRP CD2 C -0.124 4.723 1.633 1.00 . A A . 37 TRP CD2 1 1 11 7953 1 1 37 TRP CE2 C 0.854 3.878 2.118 1.00 . A A . 37 TRP CE2 1 1 11 7954 1 1 37 TRP CE3 C -0.824 4.430 0.450 1.00 . A A . 37 TRP CE3 1 1 11 7955 1 1 37 TRP CG C -0.237 5.847 2.532 1.00 . A A . 37 TRP CG 1 1 11 7956 1 1 37 TRP CH2 C 0.535 2.373 0.303 1.00 . A A . 37 TRP CH2 1 1 11 7957 1 1 37 TRP CZ2 C 1.219 2.685 1.483 1.00 . A A . 37 TRP CZ2 1 1 11 7958 1 1 37 TRP CZ3 C -0.447 3.234 -0.173 1.00 . A A . 37 TRP CZ3 1 1 11 7959 1 1 37 TRP H H -2.524 8.987 1.526 1.00 . A A . 37 TRP H 1 1 11 7960 1 1 37 TRP HA H 0.202 8.629 2.324 1.00 . A A . 37 TRP HA 1 1 11 7961 1 1 37 TRP HB2 H -1.523 7.339 3.385 1.00 . A A . 37 TRP HB2 1 1 11 7962 1 1 37 TRP HB3 H -2.079 6.710 1.847 1.00 . A A . 37 TRP HB3 1 1 11 7963 1 1 37 TRP HD1 H 0.838 6.290 4.342 1.00 . A A . 37 TRP HD1 1 1 11 7964 1 1 37 TRP HE1 H 2.132 4.029 3.922 1.00 . A A . 37 TRP HE1 1 1 11 7965 1 1 37 TRP HE3 H -1.600 5.081 0.046 1.00 . A A . 37 TRP HE3 1 1 11 7966 1 1 37 TRP HH2 H 0.770 1.458 -0.241 1.00 . A A . 37 TRP HH2 1 1 11 7967 1 1 37 TRP HZ2 H 1.995 2.034 1.887 1.00 . A A . 37 TRP HZ2 1 1 11 7968 1 1 37 TRP HZ3 H -0.959 2.959 -1.095 1.00 . A A . 37 TRP HZ3 1 1 11 7969 1 1 37 TRP N N -1.572 9.293 1.500 1.00 . A A . 37 TRP N 1 1 11 7970 1 1 37 TRP NE1 N 1.349 4.443 3.288 1.00 . A A . 37 TRP NE1 1 1 11 7971 1 1 37 TRP O O 1.206 7.879 0.121 1.00 . A A . 37 TRP O 1 1 11 7972 1 1 38 VAL C C 0.668 6.310 -1.929 1.00 . A A . 38 VAL C 1 1 11 7973 1 1 38 VAL CA C -0.510 7.285 -1.984 1.00 . A A . 38 VAL CA 1 1 11 7974 1 1 38 VAL CB C -0.197 8.556 -2.776 1.00 . A A . 38 VAL CB 1 1 11 7975 1 1 38 VAL CG1 C -1.451 9.415 -2.953 1.00 . A A . 38 VAL CG1 1 1 11 7976 1 1 38 VAL CG2 C 0.925 9.355 -2.109 1.00 . A A . 38 VAL CG2 1 1 11 7977 1 1 38 VAL H H -1.900 7.645 -0.475 1.00 . A A . 38 VAL H 1 1 11 7978 1 1 38 VAL HA H -1.354 6.789 -2.462 1.00 . A A . 38 VAL HA 1 1 11 7979 1 1 38 VAL HB H 0.147 8.258 -3.766 1.00 . A A . 38 VAL HB 1 1 11 7980 1 1 38 VAL HG11 H -2.335 8.813 -2.744 1.00 . A A . 38 VAL HG11 1 1 11 7981 1 1 38 VAL HG12 H -1.414 10.258 -2.263 1.00 . A A . 38 VAL HG12 1 1 11 7982 1 1 38 VAL HG13 H -1.496 9.785 -3.977 1.00 . A A . 38 VAL HG13 1 1 11 7983 1 1 38 VAL HG21 H 0.573 9.751 -1.157 1.00 . A A . 38 VAL HG21 1 1 11 7984 1 1 38 VAL HG22 H 1.782 8.704 -1.938 1.00 . A A . 38 VAL HG22 1 1 11 7985 1 1 38 VAL HG23 H 1.220 10.179 -2.759 1.00 . A A . 38 VAL HG23 1 1 11 7986 1 1 38 VAL N N -0.912 7.629 -0.631 1.00 . A A . 38 VAL N 1 1 11 7987 1 1 38 VAL O O 0.952 5.733 -0.880 1.00 . A A . 38 VAL O 1 1 11 7988 1 1 39 CYS C C 3.738 6.094 -3.046 1.00 . A A . 39 CYS C 1 1 11 7989 1 1 39 CYS CA C 2.461 5.260 -3.166 1.00 . A A . 39 CYS CA 1 1 11 7990 1 1 39 CYS CB C 2.433 4.444 -4.460 1.00 . A A . 39 CYS CB 1 1 11 7991 1 1 39 CYS H H 1.083 6.629 -3.920 1.00 . A A . 39 CYS H 1 1 11 7992 1 1 39 CYS HA H 2.378 4.558 -2.337 1.00 . A A . 39 CYS HA 1 1 11 7993 1 1 39 CYS HB2 H 1.617 3.723 -4.401 1.00 . A A . 39 CYS HB2 1 1 11 7994 1 1 39 CYS HB3 H 2.208 5.113 -5.290 1.00 . A A . 39 CYS HB3 1 1 11 7995 1 1 39 CYS N N 1.321 6.156 -3.071 1.00 . A A . 39 CYS N 1 1 11 7996 1 1 39 CYS O O 4.088 6.837 -3.962 1.00 . A A . 39 CYS O 1 1 11 7997 1 1 39 CYS SG S 3.982 3.545 -4.834 1.00 . A A . 39 CYS SG 1 1 11 7998 1 1 40 PRO C C 6.812 6.074 -2.421 1.00 . A A . 40 PRO C 1 1 11 7999 1 1 40 PRO CA C 5.649 6.669 -1.626 1.00 . A A . 40 PRO CA 1 1 11 8000 1 1 40 PRO CB C 5.854 6.587 -0.122 1.00 . A A . 40 PRO CB 1 1 11 8001 1 1 40 PRO CD C 4.034 5.069 -0.771 1.00 . A A . 40 PRO CD 1 1 11 8002 1 1 40 PRO CG C 4.991 5.429 0.354 1.00 . A A . 40 PRO CG 1 1 11 8003 1 1 40 PRO HA H 5.561 7.616 -1.936 1.00 . A A . 40 PRO HA 1 1 11 8004 1 1 40 PRO HB2 H 6.903 6.417 0.121 1.00 . A A . 40 PRO HB2 1 1 11 8005 1 1 40 PRO HB3 H 5.561 7.517 0.364 1.00 . A A . 40 PRO HB3 1 1 11 8006 1 1 40 PRO HD2 H 4.122 4.017 -1.044 1.00 . A A . 40 PRO HD2 1 1 11 8007 1 1 40 PRO HD3 H 2.997 5.235 -0.477 1.00 . A A . 40 PRO HD3 1 1 11 8008 1 1 40 PRO HG2 H 5.612 4.572 0.616 1.00 . A A . 40 PRO HG2 1 1 11 8009 1 1 40 PRO HG3 H 4.438 5.708 1.251 1.00 . A A . 40 PRO HG3 1 1 11 8010 1 1 40 PRO N N 4.418 5.939 -1.878 1.00 . A A . 40 PRO N 1 1 11 8011 1 1 40 PRO O O 7.892 5.852 -1.876 1.00 . A A . 40 PRO O 1 1 11 8012 1 1 41 VAL C C 7.471 5.931 -5.948 1.00 . A A . 41 VAL C 1 1 11 8013 1 1 41 VAL CA C 7.563 5.266 -4.574 1.00 . A A . 41 VAL CA 1 1 11 8014 1 1 41 VAL CB C 7.412 3.745 -4.634 1.00 . A A . 41 VAL CB 1 1 11 8015 1 1 41 VAL CG1 C 8.492 3.122 -5.521 1.00 . A A . 41 VAL CG1 1 1 11 8016 1 1 41 VAL CG2 C 7.436 3.135 -3.231 1.00 . A A . 41 VAL CG2 1 1 11 8017 1 1 41 VAL H H 5.670 6.015 -4.133 1.00 . A A . 41 VAL H 1 1 11 8018 1 1 41 VAL HA H 8.537 5.492 -4.140 1.00 . A A . 41 VAL HA 1 1 11 8019 1 1 41 VAL HB H 6.443 3.522 -5.080 1.00 . A A . 41 VAL HB 1 1 11 8020 1 1 41 VAL HG11 H 9.413 3.011 -4.948 1.00 . A A . 41 VAL HG11 1 1 11 8021 1 1 41 VAL HG12 H 8.159 2.143 -5.866 1.00 . A A . 41 VAL HG12 1 1 11 8022 1 1 41 VAL HG13 H 8.674 3.767 -6.380 1.00 . A A . 41 VAL HG13 1 1 11 8023 1 1 41 VAL HG21 H 8.469 3.005 -2.909 1.00 . A A . 41 VAL HG21 1 1 11 8024 1 1 41 VAL HG22 H 6.920 3.800 -2.538 1.00 . A A . 41 VAL HG22 1 1 11 8025 1 1 41 VAL HG23 H 6.935 2.167 -3.247 1.00 . A A . 41 VAL HG23 1 1 11 8026 1 1 41 VAL N N 6.551 5.832 -3.698 1.00 . A A . 41 VAL N 1 1 11 8027 1 1 41 VAL O O 8.486 6.319 -6.524 1.00 . A A . 41 VAL O 1 1 11 8028 1 1 42 CYS C C 5.123 7.888 -7.526 1.00 . A A . 42 CYS C 1 1 11 8029 1 1 42 CYS CA C 6.005 6.654 -7.731 1.00 . A A . 42 CYS CA 1 1 11 8030 1 1 42 CYS CB C 5.382 5.665 -8.718 1.00 . A A . 42 CYS CB 1 1 11 8031 1 1 42 CYS H H 5.423 5.725 -5.960 1.00 . A A . 42 CYS H 1 1 11 8032 1 1 42 CYS HA H 6.980 6.938 -8.128 1.00 . A A . 42 CYS HA 1 1 11 8033 1 1 42 CYS HB2 H 5.487 6.064 -9.726 1.00 . A A . 42 CYS HB2 1 1 11 8034 1 1 42 CYS HB3 H 5.947 4.734 -8.683 1.00 . A A . 42 CYS HB3 1 1 11 8035 1 1 42 CYS N N 6.243 6.043 -6.435 1.00 . A A . 42 CYS N 1 1 11 8036 1 1 42 CYS O O 5.423 8.963 -8.043 1.00 . A A . 42 CYS O 1 1 11 8037 1 1 42 CYS SG S 3.616 5.290 -8.416 1.00 . A A . 42 CYS SG 1 1 11 8038 1 1 43 GLY C C 1.678 8.278 -6.525 1.00 . A A . 43 GLY C 1 1 11 8039 1 1 43 GLY CA C 3.125 8.774 -6.490 1.00 . A A . 43 GLY CA 1 1 11 8040 1 1 43 GLY H H 3.816 6.813 -6.354 1.00 . A A . 43 GLY H 1 1 11 8041 1 1 43 GLY HA2 H 3.344 9.201 -5.512 1.00 . A A . 43 GLY HA2 1 1 11 8042 1 1 43 GLY HA3 H 3.258 9.570 -7.223 1.00 . A A . 43 GLY HA3 1 1 11 8043 1 1 43 GLY N N 4.053 7.691 -6.770 1.00 . A A . 43 GLY N 1 1 11 8044 1 1 43 GLY O O 0.847 8.723 -5.734 1.00 . A A . 43 GLY O 1 1 11 8045 1 1 44 ALA C C -0.629 6.840 -6.245 1.00 . A A . 44 ALA C 1 1 11 8046 1 1 44 ALA CA C 0.088 6.804 -7.597 1.00 . A A . 44 ALA CA 1 1 11 8047 1 1 44 ALA CB C 0.190 5.387 -8.165 1.00 . A A . 44 ALA CB 1 1 11 8048 1 1 44 ALA H H 2.102 7.008 -8.088 1.00 . A A . 44 ALA H 1 1 11 8049 1 1 44 ALA HA H -0.458 7.428 -8.305 1.00 . A A . 44 ALA HA 1 1 11 8050 1 1 44 ALA HB1 H -0.811 4.989 -8.330 1.00 . A A . 44 ALA HB1 1 1 11 8051 1 1 44 ALA HB2 H 0.732 5.413 -9.110 1.00 . A A . 44 ALA HB2 1 1 11 8052 1 1 44 ALA HB3 H 0.722 4.750 -7.458 1.00 . A A . 44 ALA HB3 1 1 11 8053 1 1 44 ALA N N 1.420 7.364 -7.449 1.00 . A A . 44 ALA N 1 1 11 8054 1 1 44 ALA O O -0.011 6.617 -5.205 1.00 . A A . 44 ALA O 1 1 11 8055 1 1 45 PRO C C -3.059 5.799 -4.558 1.00 . A A . 45 PRO C 1 1 11 8056 1 1 45 PRO CA C -2.763 7.199 -5.100 1.00 . A A . 45 PRO CA 1 1 11 8057 1 1 45 PRO CB C -4.017 7.955 -5.508 1.00 . A A . 45 PRO CB 1 1 11 8058 1 1 45 PRO CD C -2.720 7.401 -7.520 1.00 . A A . 45 PRO CD 1 1 11 8059 1 1 45 PRO CG C -4.077 7.876 -7.025 1.00 . A A . 45 PRO CG 1 1 11 8060 1 1 45 PRO HA H -2.264 7.673 -4.375 1.00 . A A . 45 PRO HA 1 1 11 8061 1 1 45 PRO HB2 H -4.905 7.511 -5.058 1.00 . A A . 45 PRO HB2 1 1 11 8062 1 1 45 PRO HB3 H -3.975 8.992 -5.172 1.00 . A A . 45 PRO HB3 1 1 11 8063 1 1 45 PRO HD2 H -2.815 6.506 -8.136 1.00 . A A . 45 PRO HD2 1 1 11 8064 1 1 45 PRO HD3 H -2.235 8.160 -8.133 1.00 . A A . 45 PRO HD3 1 1 11 8065 1 1 45 PRO HG2 H -4.861 7.188 -7.340 1.00 . A A . 45 PRO HG2 1 1 11 8066 1 1 45 PRO HG3 H -4.318 8.850 -7.449 1.00 . A A . 45 PRO HG3 1 1 11 8067 1 1 45 PRO N N -1.956 7.131 -6.306 1.00 . A A . 45 PRO N 1 1 11 8068 1 1 45 PRO O O -2.904 4.809 -5.270 1.00 . A A . 45 PRO O 1 1 11 8069 1 1 46 LYS C C -4.960 3.834 -3.395 1.00 . A A . 46 LYS C 1 1 11 8070 1 1 46 LYS CA C -3.798 4.500 -2.656 1.00 . A A . 46 LYS CA 1 1 11 8071 1 1 46 LYS CB C -4.058 4.713 -1.164 1.00 . A A . 46 LYS CB 1 1 11 8072 1 1 46 LYS CD C -5.773 5.336 0.578 1.00 . A A . 46 LYS CD 1 1 11 8073 1 1 46 LYS CE C -7.110 4.698 0.960 1.00 . A A . 46 LYS CE 1 1 11 8074 1 1 46 LYS CG C -5.496 5.175 -0.918 1.00 . A A . 46 LYS CG 1 1 11 8075 1 1 46 LYS H H -3.602 6.573 -2.729 1.00 . A A . 46 LYS H 1 1 11 8076 1 1 46 LYS HA H -2.921 3.859 -2.742 1.00 . A A . 46 LYS HA 1 1 11 8077 1 1 46 LYS HB2 H -3.874 3.785 -0.622 1.00 . A A . 46 LYS HB2 1 1 11 8078 1 1 46 LYS HB3 H -3.362 5.454 -0.771 1.00 . A A . 46 LYS HB3 1 1 11 8079 1 1 46 LYS HD2 H -4.969 4.874 1.151 1.00 . A A . 46 LYS HD2 1 1 11 8080 1 1 46 LYS HD3 H -5.783 6.394 0.838 1.00 . A A . 46 LYS HD3 1 1 11 8081 1 1 46 LYS HE2 H -7.490 5.155 1.874 1.00 . A A . 46 LYS HE2 1 1 11 8082 1 1 46 LYS HE3 H -7.847 4.888 0.179 1.00 . A A . 46 LYS HE3 1 1 11 8083 1 1 46 LYS HG2 H -5.669 6.123 -1.428 1.00 . A A . 46 LYS HG2 1 1 11 8084 1 1 46 LYS HG3 H -6.192 4.453 -1.345 1.00 . A A . 46 LYS HG3 1 1 11 8085 1 1 46 LYS HZ1 H -6.628 2.776 0.314 1.00 . A A . 46 LYS HZ1 1 1 11 8086 1 1 46 LYS HZ3 H -7.824 2.795 1.418 1.00 . A A . 46 LYS HZ3 1 1 11 8087 1 1 46 LYS N N -3.479 5.762 -3.302 1.00 . A A . 46 LYS N 1 1 11 8088 1 1 46 LYS NZ N -6.952 3.240 1.155 1.00 . A A . 46 LYS NZ 1 1 11 8089 1 1 46 LYS O O -5.190 2.635 -3.245 1.00 . A A . 46 LYS O 1 1 11 8090 1 1 47 SER C C -6.305 3.325 -6.133 1.00 . A A . 47 SER C 1 1 11 8091 1 1 47 SER CA C -6.796 4.144 -4.938 1.00 . A A . 47 SER CA 1 1 11 8092 1 1 47 SER CB C -7.687 5.294 -5.414 1.00 . A A . 47 SER CB 1 1 11 8093 1 1 47 SER H H -5.470 5.615 -4.293 1.00 . A A . 47 SER H 1 1 11 8094 1 1 47 SER HA H -7.356 3.515 -4.247 1.00 . A A . 47 SER HA 1 1 11 8095 1 1 47 SER HB2 H -7.549 6.154 -4.758 1.00 . A A . 47 SER HB2 1 1 11 8096 1 1 47 SER HB3 H -7.378 5.602 -6.413 1.00 . A A . 47 SER HB3 1 1 11 8097 1 1 47 SER HG H -9.591 5.614 -5.938 1.00 . A A . 47 SER HG 1 1 11 8098 1 1 47 SER N N -5.663 4.641 -4.176 1.00 . A A . 47 SER N 1 1 11 8099 1 1 47 SER O O -7.098 2.677 -6.814 1.00 . A A . 47 SER O 1 1 11 8100 1 1 47 SER OG O -9.064 4.930 -5.434 1.00 . A A . 47 SER OG 1 1 11 8101 1 1 48 GLU C C -3.608 1.448 -6.923 1.00 . A A . 48 GLU C 1 1 11 8102 1 1 48 GLU CA C -4.392 2.651 -7.451 1.00 . A A . 48 GLU CA 1 1 11 8103 1 1 48 GLU CB C -3.495 3.566 -8.287 1.00 . A A . 48 GLU CB 1 1 11 8104 1 1 48 GLU CD C -3.575 5.312 -10.104 1.00 . A A . 48 GLU CD 1 1 11 8105 1 1 48 GLU CG C -4.300 4.716 -8.896 1.00 . A A . 48 GLU CG 1 1 11 8106 1 1 48 GLU H H -4.361 3.909 -5.792 1.00 . A A . 48 GLU H 1 1 11 8107 1 1 48 GLU HA H -5.225 2.309 -8.066 1.00 . A A . 48 GLU HA 1 1 11 8108 1 1 48 GLU HB2 H -2.696 3.966 -7.663 1.00 . A A . 48 GLU HB2 1 1 11 8109 1 1 48 GLU HB3 H -3.020 2.989 -9.081 1.00 . A A . 48 GLU HB3 1 1 11 8110 1 1 48 GLU HE2 H -3.627 4.488 -11.797 1.00 . A A . 48 GLU HE2 1 1 11 8111 1 1 48 GLU HG2 H -5.283 4.356 -9.198 1.00 . A A . 48 GLU HG2 1 1 11 8112 1 1 48 GLU HG3 H -4.460 5.490 -8.145 1.00 . A A . 48 GLU HG3 1 1 11 8113 1 1 48 GLU N N -4.999 3.380 -6.351 1.00 . A A . 48 GLU N 1 1 11 8114 1 1 48 GLU O O -2.573 1.084 -7.479 1.00 . A A . 48 GLU O 1 1 11 8115 1 1 48 GLU OE1 O -3.472 6.542 -10.220 1.00 . A A . 48 GLU OE1 1 1 11 8116 1 1 48 GLU OE2 O -3.110 4.448 -10.942 1.00 . A A . 48 GLU OE2 1 1 11 8117 1 1 49 PHE C C -4.400 -1.522 -5.323 1.00 . A A . 49 PHE C 1 1 11 8118 1 1 49 PHE CA C -3.494 -0.291 -5.246 1.00 . A A . 49 PHE CA 1 1 11 8119 1 1 49 PHE CB C -3.250 0.056 -3.776 1.00 . A A . 49 PHE CB 1 1 11 8120 1 1 49 PHE CD1 C -1.697 2.021 -3.807 1.00 . A A . 49 PHE CD1 1 1 11 8121 1 1 49 PHE CD2 C -0.881 -0.025 -2.970 1.00 . A A . 49 PHE CD2 1 1 11 8122 1 1 49 PHE CE1 C -0.437 2.626 -3.558 1.00 . A A . 49 PHE CE1 1 1 11 8123 1 1 49 PHE CE2 C 0.380 0.580 -2.721 1.00 . A A . 49 PHE CE2 1 1 11 8124 1 1 49 PHE CG C -1.893 0.708 -3.508 1.00 . A A . 49 PHE CG 1 1 11 8125 1 1 49 PHE CZ C 0.575 1.893 -3.020 1.00 . A A . 49 PHE CZ 1 1 11 8126 1 1 49 PHE H H -4.975 1.165 -5.409 1.00 . A A . 49 PHE H 1 1 11 8127 1 1 49 PHE HA H -2.575 -0.483 -5.800 1.00 . A A . 49 PHE HA 1 1 11 8128 1 1 49 PHE HB2 H -4.038 0.729 -3.437 1.00 . A A . 49 PHE HB2 1 1 11 8129 1 1 49 PHE HB3 H -3.329 -0.853 -3.180 1.00 . A A . 49 PHE HB3 1 1 11 8130 1 1 49 PHE HD1 H -2.508 2.608 -4.237 1.00 . A A . 49 PHE HD1 1 1 11 8131 1 1 49 PHE HD2 H -1.037 -1.076 -2.731 1.00 . A A . 49 PHE HD2 1 1 11 8132 1 1 49 PHE HE1 H -0.281 3.677 -3.797 1.00 . A A . 49 PHE HE1 1 1 11 8133 1 1 49 PHE HE2 H 1.191 -0.007 -2.291 1.00 . A A . 49 PHE HE2 1 1 11 8134 1 1 49 PHE HZ H 1.542 2.357 -2.829 1.00 . A A . 49 PHE HZ 1 1 11 8135 1 1 49 PHE N N -4.132 0.863 -5.856 1.00 . A A . 49 PHE N 1 1 11 8136 1 1 49 PHE O O -5.570 -1.460 -4.952 1.00 . A A . 49 PHE O 1 1 11 8137 1 1 50 GLU C C -4.018 -4.902 -4.964 1.00 . A A . 50 GLU C 1 1 11 8138 1 1 50 GLU CA C -4.563 -3.856 -5.938 1.00 . A A . 50 GLU CA 1 1 11 8139 1 1 50 GLU CB C -4.519 -4.372 -7.378 1.00 . A A . 50 GLU CB 1 1 11 8140 1 1 50 GLU CD C -5.646 -6.378 -8.409 1.00 . A A . 50 GLU CD 1 1 11 8141 1 1 50 GLU CG C -5.855 -5.001 -7.776 1.00 . A A . 50 GLU CG 1 1 11 8142 1 1 50 GLU H H -2.870 -2.654 -6.107 1.00 . A A . 50 GLU H 1 1 11 8143 1 1 50 GLU HA H -5.592 -3.609 -5.678 1.00 . A A . 50 GLU HA 1 1 11 8144 1 1 50 GLU HB2 H -4.283 -3.551 -8.055 1.00 . A A . 50 GLU HB2 1 1 11 8145 1 1 50 GLU HB3 H -3.722 -5.108 -7.480 1.00 . A A . 50 GLU HB3 1 1 11 8146 1 1 50 GLU HE2 H -5.490 -8.193 -7.931 1.00 . A A . 50 GLU HE2 1 1 11 8147 1 1 50 GLU HG2 H -6.494 -5.093 -6.897 1.00 . A A . 50 GLU HG2 1 1 11 8148 1 1 50 GLU HG3 H -6.373 -4.348 -8.479 1.00 . A A . 50 GLU HG3 1 1 11 8149 1 1 50 GLU N N -3.823 -2.612 -5.808 1.00 . A A . 50 GLU N 1 1 11 8150 1 1 50 GLU O O -2.865 -4.823 -4.542 1.00 . A A . 50 GLU O 1 1 11 8151 1 1 50 GLU OE1 O -5.887 -6.550 -9.613 1.00 . A A . 50 GLU OE1 1 1 11 8152 1 1 50 GLU OE2 O -5.216 -7.289 -7.603 1.00 . A A . 50 GLU OE2 1 1 11 8153 1 1 51 ALA C C -3.965 -8.114 -4.516 1.00 . A A . 51 ALA C 1 1 11 8154 1 1 51 ALA CA C -4.493 -6.920 -3.718 1.00 . A A . 51 ALA CA 1 1 11 8155 1 1 51 ALA CB C -5.690 -7.290 -2.839 1.00 . A A . 51 ALA CB 1 1 11 8156 1 1 51 ALA H H -5.810 -5.917 -4.982 1.00 . A A . 51 ALA H 1 1 11 8157 1 1 51 ALA HA H -3.695 -6.538 -3.081 1.00 . A A . 51 ALA HA 1 1 11 8158 1 1 51 ALA HB1 H -6.497 -6.578 -3.006 1.00 . A A . 51 ALA HB1 1 1 11 8159 1 1 51 ALA HB2 H -6.031 -8.293 -3.095 1.00 . A A . 51 ALA HB2 1 1 11 8160 1 1 51 ALA HB3 H -5.393 -7.264 -1.791 1.00 . A A . 51 ALA HB3 1 1 11 8161 1 1 51 ALA N N -4.874 -5.859 -4.634 1.00 . A A . 51 ALA N 1 1 11 8162 1 1 51 ALA O O -4.736 -8.827 -5.156 1.00 . A A . 51 ALA O 1 1 11 8163 1 1 52 ALA C C -0.647 -9.668 -4.535 1.00 . A A . 52 ALA C 1 1 11 8164 1 1 52 ALA CA C -2.014 -9.388 -5.163 1.00 . A A . 52 ALA CA 1 1 11 8165 1 1 52 ALA CB C -1.912 -9.043 -6.650 1.00 . A A . 52 ALA CB 1 1 11 8166 1 1 52 ALA H H -2.033 -7.709 -3.931 1.00 . A A . 52 ALA H 1 1 11 8167 1 1 52 ALA HA H -2.643 -10.270 -5.050 1.00 . A A . 52 ALA HA 1 1 11 8168 1 1 52 ALA HB1 H -1.508 -8.037 -6.762 1.00 . A A . 52 ALA HB1 1 1 11 8169 1 1 52 ALA HB2 H -1.253 -9.756 -7.145 1.00 . A A . 52 ALA HB2 1 1 11 8170 1 1 52 ALA HB3 H -2.903 -9.089 -7.102 1.00 . A A . 52 ALA HB3 1 1 11 8171 1 1 52 ALA N N -2.654 -8.294 -4.453 1.00 . A A . 52 ALA N 1 1 11 8172 1 1 52 ALA O O -0.035 -8.775 -3.949 1.00 . A A . 52 ALA O 1 1 11 8173 2 2 1 NI NI NI 3.772 3.204 -7.213 1.00 . B A . 53 NI NI 1 1 12 8174 1 1 1 MET C C -4.146 -8.036 5.735 1.00 . A A . 1 MET C 1 1 12 8175 1 1 1 MET CA C -4.855 -7.166 6.775 1.00 . A A . 1 MET CA 1 1 12 8176 1 1 1 MET CB C -3.816 -6.386 7.582 1.00 . A A . 1 MET CB 1 1 12 8177 1 1 1 MET CE C -3.562 -6.399 10.698 1.00 . A A . 1 MET CE 1 1 12 8178 1 1 1 MET CG C -4.475 -5.263 8.385 1.00 . A A . 1 MET CG 1 1 12 8179 1 1 1 MET H1 H -5.669 -8.956 7.462 1.00 . A A . 1 MET H1 1 1 12 8180 1 1 1 MET HA H -5.558 -6.496 6.280 1.00 . A A . 1 MET HA 1 1 12 8181 1 1 1 MET HB2 H -3.293 -7.062 8.258 1.00 . A A . 1 MET HB2 1 1 12 8182 1 1 1 MET HB3 H -3.068 -5.967 6.909 1.00 . A A . 1 MET HB3 1 1 12 8183 1 1 1 MET HE1 H -3.393 -7.461 10.516 1.00 . A A . 1 MET HE1 1 1 12 8184 1 1 1 MET HE2 H -2.740 -5.823 10.274 1.00 . A A . 1 MET HE2 1 1 12 8185 1 1 1 MET HE3 H -3.617 -6.219 11.772 1.00 . A A . 1 MET HE3 1 1 12 8186 1 1 1 MET HG2 H -3.754 -4.467 8.572 1.00 . A A . 1 MET HG2 1 1 12 8187 1 1 1 MET HG3 H -5.291 -4.824 7.810 1.00 . A A . 1 MET HG3 1 1 12 8188 1 1 1 MET N N -5.657 -7.979 7.674 1.00 . A A . 1 MET N 1 1 12 8189 1 1 1 MET O O -3.789 -9.179 6.015 1.00 . A A . 1 MET O 1 1 12 8190 1 1 1 MET SD S -5.095 -5.900 9.932 1.00 . A A . 1 MET SD 1 1 12 8191 1 1 2 LYS C C -2.318 -7.228 2.778 1.00 . A A . 2 LYS C 1 1 12 8192 1 1 2 LYS CA C -3.305 -8.170 3.471 1.00 . A A . 2 LYS CA 1 1 12 8193 1 1 2 LYS CB C -4.339 -8.782 2.524 1.00 . A A . 2 LYS CB 1 1 12 8194 1 1 2 LYS CD C -2.970 -10.621 1.472 1.00 . A A . 2 LYS CD 1 1 12 8195 1 1 2 LYS CE C -3.628 -11.737 0.658 1.00 . A A . 2 LYS CE 1 1 12 8196 1 1 2 LYS CG C -3.676 -9.283 1.239 1.00 . A A . 2 LYS CG 1 1 12 8197 1 1 2 LYS H H -4.259 -6.531 4.334 1.00 . A A . 2 LYS H 1 1 12 8198 1 1 2 LYS HA H -2.745 -8.994 3.913 1.00 . A A . 2 LYS HA 1 1 12 8199 1 1 2 LYS HB2 H -4.849 -9.608 3.020 1.00 . A A . 2 LYS HB2 1 1 12 8200 1 1 2 LYS HB3 H -5.098 -8.040 2.280 1.00 . A A . 2 LYS HB3 1 1 12 8201 1 1 2 LYS HD2 H -1.920 -10.535 1.195 1.00 . A A . 2 LYS HD2 1 1 12 8202 1 1 2 LYS HD3 H -3.001 -10.873 2.532 1.00 . A A . 2 LYS HD3 1 1 12 8203 1 1 2 LYS HE2 H -3.973 -11.343 -0.298 1.00 . A A . 2 LYS HE2 1 1 12 8204 1 1 2 LYS HE3 H -2.897 -12.515 0.438 1.00 . A A . 2 LYS HE3 1 1 12 8205 1 1 2 LYS HG2 H -4.428 -9.396 0.458 1.00 . A A . 2 LYS HG2 1 1 12 8206 1 1 2 LYS HG3 H -2.956 -8.545 0.885 1.00 . A A . 2 LYS HG3 1 1 12 8207 1 1 2 LYS HZ1 H -4.465 -12.980 2.107 1.00 . A A . 2 LYS HZ1 1 1 12 8208 1 1 2 LYS HZ3 H -5.409 -12.812 0.790 1.00 . A A . 2 LYS HZ3 1 1 12 8209 1 1 2 LYS N N -3.965 -7.461 4.555 1.00 . A A . 2 LYS N 1 1 12 8210 1 1 2 LYS NZ N -4.769 -12.317 1.402 1.00 . A A . 2 LYS NZ 1 1 12 8211 1 1 2 LYS O O -2.532 -6.017 2.741 1.00 . A A . 2 LYS O 1 1 12 8212 1 1 3 LYS C C -0.669 -6.821 0.107 1.00 . A A . 3 LYS C 1 1 12 8213 1 1 3 LYS CA C -0.238 -7.049 1.557 1.00 . A A . 3 LYS CA 1 1 12 8214 1 1 3 LYS CB C 1.128 -7.725 1.694 1.00 . A A . 3 LYS CB 1 1 12 8215 1 1 3 LYS CD C 1.634 -8.030 4.145 1.00 . A A . 3 LYS CD 1 1 12 8216 1 1 3 LYS CE C 2.760 -7.862 5.168 1.00 . A A . 3 LYS CE 1 1 12 8217 1 1 3 LYS CG C 1.893 -7.178 2.901 1.00 . A A . 3 LYS CG 1 1 12 8218 1 1 3 LYS H H -1.092 -8.805 2.282 1.00 . A A . 3 LYS H 1 1 12 8219 1 1 3 LYS HA H -0.169 -6.081 2.054 1.00 . A A . 3 LYS HA 1 1 12 8220 1 1 3 LYS HB2 H 0.996 -8.802 1.800 1.00 . A A . 3 LYS HB2 1 1 12 8221 1 1 3 LYS HB3 H 1.710 -7.564 0.786 1.00 . A A . 3 LYS HB3 1 1 12 8222 1 1 3 LYS HD2 H 0.684 -7.743 4.595 1.00 . A A . 3 LYS HD2 1 1 12 8223 1 1 3 LYS HD3 H 1.549 -9.079 3.862 1.00 . A A . 3 LYS HD3 1 1 12 8224 1 1 3 LYS HE2 H 3.721 -7.820 4.656 1.00 . A A . 3 LYS HE2 1 1 12 8225 1 1 3 LYS HE3 H 2.640 -6.918 5.699 1.00 . A A . 3 LYS HE3 1 1 12 8226 1 1 3 LYS HG2 H 2.960 -7.162 2.682 1.00 . A A . 3 LYS HG2 1 1 12 8227 1 1 3 LYS HG3 H 1.591 -6.149 3.091 1.00 . A A . 3 LYS HG3 1 1 12 8228 1 1 3 LYS HZ1 H 3.439 -8.855 6.870 1.00 . A A . 3 LYS HZ1 1 1 12 8229 1 1 3 LYS HZ3 H 2.968 -9.870 5.687 1.00 . A A . 3 LYS HZ3 1 1 12 8230 1 1 3 LYS N N -1.258 -7.820 2.247 1.00 . A A . 3 LYS N 1 1 12 8231 1 1 3 LYS NZ N 2.755 -8.985 6.133 1.00 . A A . 3 LYS NZ 1 1 12 8232 1 1 3 LYS O O -0.895 -7.776 -0.634 1.00 . A A . 3 LYS O 1 1 12 8233 1 1 4 TYR C C 0.032 -4.722 -2.425 1.00 . A A . 4 TYR C 1 1 12 8234 1 1 4 TYR CA C -1.171 -5.185 -1.602 1.00 . A A . 4 TYR CA 1 1 12 8235 1 1 4 TYR CB C -2.150 -4.019 -1.450 1.00 . A A . 4 TYR CB 1 1 12 8236 1 1 4 TYR CD1 C -2.465 -3.568 1.011 1.00 . A A . 4 TYR CD1 1 1 12 8237 1 1 4 TYR CD2 C -4.250 -4.612 -0.188 1.00 . A A . 4 TYR CD2 1 1 12 8238 1 1 4 TYR CE1 C -3.248 -3.614 2.219 1.00 . A A . 4 TYR CE1 1 1 12 8239 1 1 4 TYR CE2 C -5.033 -4.658 1.020 1.00 . A A . 4 TYR CE2 1 1 12 8240 1 1 4 TYR CG C -2.982 -4.068 -0.167 1.00 . A A . 4 TYR CG 1 1 12 8241 1 1 4 TYR CZ C -4.494 -4.157 2.163 1.00 . A A . 4 TYR CZ 1 1 12 8242 1 1 4 TYR H H -0.585 -4.780 0.356 1.00 . A A . 4 TYR H 1 1 12 8243 1 1 4 TYR HA H -1.607 -6.066 -2.073 1.00 . A A . 4 TYR HA 1 1 12 8244 1 1 4 TYR HB2 H -1.590 -3.084 -1.472 1.00 . A A . 4 TYR HB2 1 1 12 8245 1 1 4 TYR HB3 H -2.823 -4.008 -2.307 1.00 . A A . 4 TYR HB3 1 1 12 8246 1 1 4 TYR HD1 H -1.463 -3.139 1.027 1.00 . A A . 4 TYR HD1 1 1 12 8247 1 1 4 TYR HD2 H -4.659 -5.007 -1.118 1.00 . A A . 4 TYR HD2 1 1 12 8248 1 1 4 TYR HE1 H -2.852 -3.223 3.155 1.00 . A A . 4 TYR HE1 1 1 12 8249 1 1 4 TYR HE2 H -6.036 -5.085 1.017 1.00 . A A . 4 TYR HE2 1 1 12 8250 1 1 4 TYR HH H -5.615 -5.117 3.429 1.00 . A A . 4 TYR HH 1 1 12 8251 1 1 4 TYR N N -0.771 -5.551 -0.254 1.00 . A A . 4 TYR N 1 1 12 8252 1 1 4 TYR O O 1.177 -4.912 -2.018 1.00 . A A . 4 TYR O 1 1 12 8253 1 1 4 TYR OH O -5.234 -4.201 3.304 1.00 . A A . 4 TYR OH 1 1 12 8254 1 1 5 VAL C C 0.244 -2.435 -5.245 1.00 . A A . 5 VAL C 1 1 12 8255 1 1 5 VAL CA C 0.775 -3.631 -4.451 1.00 . A A . 5 VAL CA 1 1 12 8256 1 1 5 VAL CB C 1.281 -4.764 -5.346 1.00 . A A . 5 VAL CB 1 1 12 8257 1 1 5 VAL CG1 C 0.322 -5.012 -6.512 1.00 . A A . 5 VAL CG1 1 1 12 8258 1 1 5 VAL CG2 C 2.695 -4.474 -5.852 1.00 . A A . 5 VAL CG2 1 1 12 8259 1 1 5 VAL H H -1.202 -3.972 -3.892 1.00 . A A . 5 VAL H 1 1 12 8260 1 1 5 VAL HA H 1.604 -3.297 -3.828 1.00 . A A . 5 VAL HA 1 1 12 8261 1 1 5 VAL HB H 1.320 -5.673 -4.745 1.00 . A A . 5 VAL HB 1 1 12 8262 1 1 5 VAL HG11 H -0.571 -5.519 -6.146 1.00 . A A . 5 VAL HG11 1 1 12 8263 1 1 5 VAL HG12 H 0.041 -4.059 -6.960 1.00 . A A . 5 VAL HG12 1 1 12 8264 1 1 5 VAL HG13 H 0.812 -5.635 -7.260 1.00 . A A . 5 VAL HG13 1 1 12 8265 1 1 5 VAL HG21 H 3.171 -3.742 -5.200 1.00 . A A . 5 VAL HG21 1 1 12 8266 1 1 5 VAL HG22 H 3.278 -5.395 -5.850 1.00 . A A . 5 VAL HG22 1 1 12 8267 1 1 5 VAL HG23 H 2.644 -4.079 -6.866 1.00 . A A . 5 VAL HG23 1 1 12 8268 1 1 5 VAL N N -0.268 -4.123 -3.568 1.00 . A A . 5 VAL N 1 1 12 8269 1 1 5 VAL O O -0.967 -2.236 -5.338 1.00 . A A . 5 VAL O 1 1 12 8270 1 1 6 CYS C C 0.728 -0.913 -8.048 1.00 . A A . 6 CYS C 1 1 12 8271 1 1 6 CYS CA C 0.815 -0.500 -6.578 1.00 . A A . 6 CYS CA 1 1 12 8272 1 1 6 CYS CB C 1.804 0.648 -6.365 1.00 . A A . 6 CYS CB 1 1 12 8273 1 1 6 CYS H H 2.157 -1.839 -5.715 1.00 . A A . 6 CYS H 1 1 12 8274 1 1 6 CYS HA H -0.155 -0.165 -6.212 1.00 . A A . 6 CYS HA 1 1 12 8275 1 1 6 CYS HB2 H 1.660 1.051 -5.362 1.00 . A A . 6 CYS HB2 1 1 12 8276 1 1 6 CYS HB3 H 2.817 0.249 -6.406 1.00 . A A . 6 CYS HB3 1 1 12 8277 1 1 6 CYS N N 1.175 -1.670 -5.796 1.00 . A A . 6 CYS N 1 1 12 8278 1 1 6 CYS O O 1.529 -1.720 -8.518 1.00 . A A . 6 CYS O 1 1 12 8279 1 1 6 CYS SG S 1.663 2.016 -7.572 1.00 . A A . 6 CYS SG 1 1 12 8280 1 1 7 THR C C 0.659 -0.010 -10.984 1.00 . A A . 7 THR C 1 1 12 8281 1 1 7 THR CA C -0.452 -0.639 -10.141 1.00 . A A . 7 THR CA 1 1 12 8282 1 1 7 THR CB C -1.853 -0.162 -10.529 1.00 . A A . 7 THR CB 1 1 12 8283 1 1 7 THR CG2 C -2.927 -0.644 -9.552 1.00 . A A . 7 THR CG2 1 1 12 8284 1 1 7 THR H H -0.897 0.315 -8.344 1.00 . A A . 7 THR H 1 1 12 8285 1 1 7 THR HA H -0.384 -1.718 -10.277 1.00 . A A . 7 THR HA 1 1 12 8286 1 1 7 THR HB H -2.096 -0.457 -11.550 1.00 . A A . 7 THR HB 1 1 12 8287 1 1 7 THR HG1 H -1.993 1.463 -9.370 1.00 . A A . 7 THR HG1 1 1 12 8288 1 1 7 THR HG21 H -2.496 -0.737 -8.555 1.00 . A A . 7 THR HG21 1 1 12 8289 1 1 7 THR HG22 H -3.746 0.076 -9.528 1.00 . A A . 7 THR HG22 1 1 12 8290 1 1 7 THR HG23 H -3.305 -1.614 -9.876 1.00 . A A . 7 THR HG23 1 1 12 8291 1 1 7 THR N N -0.250 -0.340 -8.734 1.00 . A A . 7 THR N 1 1 12 8292 1 1 7 THR O O 1.444 -0.719 -11.612 1.00 . A A . 7 THR O 1 1 12 8293 1 1 7 THR OG1 O -1.809 1.248 -10.329 1.00 . A A . 7 THR OG1 1 1 12 8294 1 1 8 VAL C C 3.024 1.299 -11.659 1.00 . A A . 8 VAL C 1 1 12 8295 1 1 8 VAL CA C 1.691 2.048 -11.728 1.00 . A A . 8 VAL CA 1 1 12 8296 1 1 8 VAL CB C 1.785 3.486 -11.214 1.00 . A A . 8 VAL CB 1 1 12 8297 1 1 8 VAL CG1 C 2.807 4.290 -12.021 1.00 . A A . 8 VAL CG1 1 1 12 8298 1 1 8 VAL CG2 C 0.415 4.166 -11.232 1.00 . A A . 8 VAL CG2 1 1 12 8299 1 1 8 VAL H H 0.047 1.884 -10.459 1.00 . A A . 8 VAL H 1 1 12 8300 1 1 8 VAL HA H 1.360 2.081 -12.766 1.00 . A A . 8 VAL HA 1 1 12 8301 1 1 8 VAL HB H 2.128 3.451 -10.180 1.00 . A A . 8 VAL HB 1 1 12 8302 1 1 8 VAL HG11 H 2.286 4.915 -12.747 1.00 . A A . 8 VAL HG11 1 1 12 8303 1 1 8 VAL HG12 H 3.386 4.921 -11.347 1.00 . A A . 8 VAL HG12 1 1 12 8304 1 1 8 VAL HG13 H 3.476 3.606 -12.544 1.00 . A A . 8 VAL HG13 1 1 12 8305 1 1 8 VAL HG21 H -0.191 3.783 -10.411 1.00 . A A . 8 VAL HG21 1 1 12 8306 1 1 8 VAL HG22 H 0.542 5.242 -11.120 1.00 . A A . 8 VAL HG22 1 1 12 8307 1 1 8 VAL HG23 H -0.083 3.955 -12.179 1.00 . A A . 8 VAL HG23 1 1 12 8308 1 1 8 VAL N N 0.689 1.315 -10.972 1.00 . A A . 8 VAL N 1 1 12 8309 1 1 8 VAL O O 3.476 0.737 -12.655 1.00 . A A . 8 VAL O 1 1 12 8310 1 1 9 CYS C C 4.613 -0.709 -9.610 1.00 . A A . 9 CYS C 1 1 12 8311 1 1 9 CYS CA C 4.887 0.647 -10.262 1.00 . A A . 9 CYS CA 1 1 12 8312 1 1 9 CYS CB C 5.843 1.500 -9.424 1.00 . A A . 9 CYS CB 1 1 12 8313 1 1 9 CYS H H 3.241 1.777 -9.668 1.00 . A A . 9 CYS H 1 1 12 8314 1 1 9 CYS HA H 5.341 0.520 -11.244 1.00 . A A . 9 CYS HA 1 1 12 8315 1 1 9 CYS HB2 H 6.867 1.220 -9.671 1.00 . A A . 9 CYS HB2 1 1 12 8316 1 1 9 CYS HB3 H 5.720 2.545 -9.710 1.00 . A A . 9 CYS HB3 1 1 12 8317 1 1 9 CYS N N 3.615 1.317 -10.473 1.00 . A A . 9 CYS N 1 1 12 8318 1 1 9 CYS O O 3.523 -1.262 -9.753 1.00 . A A . 9 CYS O 1 1 12 8319 1 1 9 CYS SG S 5.614 1.356 -7.615 1.00 . A A . 9 CYS SG 1 1 12 8320 1 1 10 GLY C C 5.963 -2.387 -6.778 1.00 . A A . 10 GLY C 1 1 12 8321 1 1 10 GLY CA C 5.501 -2.488 -8.233 1.00 . A A . 10 GLY CA 1 1 12 8322 1 1 10 GLY H H 6.503 -0.751 -8.795 1.00 . A A . 10 GLY H 1 1 12 8323 1 1 10 GLY HA2 H 4.465 -2.826 -8.267 1.00 . A A . 10 GLY HA2 1 1 12 8324 1 1 10 GLY HA3 H 6.098 -3.235 -8.756 1.00 . A A . 10 GLY HA3 1 1 12 8325 1 1 10 GLY N N 5.620 -1.207 -8.907 1.00 . A A . 10 GLY N 1 1 12 8326 1 1 10 GLY O O 6.972 -2.980 -6.400 1.00 . A A . 10 GLY O 1 1 12 8327 1 1 11 TYR C C 4.501 -2.156 -3.702 1.00 . A A . 11 TYR C 1 1 12 8328 1 1 11 TYR CA C 5.520 -1.445 -4.595 1.00 . A A . 11 TYR CA 1 1 12 8329 1 1 11 TYR CB C 5.439 0.062 -4.340 1.00 . A A . 11 TYR CB 1 1 12 8330 1 1 11 TYR CD1 C 6.309 -0.019 -1.975 1.00 . A A . 11 TYR CD1 1 1 12 8331 1 1 11 TYR CD2 C 4.322 1.237 -2.410 1.00 . A A . 11 TYR CD2 1 1 12 8332 1 1 11 TYR CE1 C 6.228 0.336 -0.582 1.00 . A A . 11 TYR CE1 1 1 12 8333 1 1 11 TYR CE2 C 4.242 1.592 -1.016 1.00 . A A . 11 TYR CE2 1 1 12 8334 1 1 11 TYR CG C 5.354 0.439 -2.860 1.00 . A A . 11 TYR CG 1 1 12 8335 1 1 11 TYR CZ C 5.199 1.124 -0.171 1.00 . A A . 11 TYR CZ 1 1 12 8336 1 1 11 TYR H H 4.382 -1.152 -6.315 1.00 . A A . 11 TYR H 1 1 12 8337 1 1 11 TYR HA H 6.508 -1.869 -4.414 1.00 . A A . 11 TYR HA 1 1 12 8338 1 1 11 TYR HB2 H 6.315 0.541 -4.777 1.00 . A A . 11 TYR HB2 1 1 12 8339 1 1 11 TYR HB3 H 4.567 0.461 -4.857 1.00 . A A . 11 TYR HB3 1 1 12 8340 1 1 11 TYR HD1 H 7.124 -0.650 -2.331 1.00 . A A . 11 TYR HD1 1 1 12 8341 1 1 11 TYR HD2 H 3.568 1.599 -3.109 1.00 . A A . 11 TYR HD2 1 1 12 8342 1 1 11 TYR HE1 H 6.976 -0.019 0.128 1.00 . A A . 11 TYR HE1 1 1 12 8343 1 1 11 TYR HE2 H 3.432 2.222 -0.648 1.00 . A A . 11 TYR HE2 1 1 12 8344 1 1 11 TYR HH H 4.218 1.231 1.504 1.00 . A A . 11 TYR HH 1 1 12 8345 1 1 11 TYR N N 5.202 -1.631 -6.000 1.00 . A A . 11 TYR N 1 1 12 8346 1 1 11 TYR O O 3.300 -1.910 -3.807 1.00 . A A . 11 TYR O 1 1 12 8347 1 1 11 TYR OH O 5.123 1.460 1.145 1.00 . A A . 11 TYR OH 1 1 12 8348 1 1 12 GLU C C 4.177 -3.129 -0.547 1.00 . A A . 12 GLU C 1 1 12 8349 1 1 12 GLU CA C 4.166 -3.773 -1.935 1.00 . A A . 12 GLU CA 1 1 12 8350 1 1 12 GLU CB C 4.598 -5.239 -1.862 1.00 . A A . 12 GLU CB 1 1 12 8351 1 1 12 GLU CD C 6.795 -6.477 -1.900 1.00 . A A . 12 GLU CD 1 1 12 8352 1 1 12 GLU CG C 5.982 -5.372 -1.223 1.00 . A A . 12 GLU CG 1 1 12 8353 1 1 12 GLU H H 5.994 -3.219 -2.766 1.00 . A A . 12 GLU H 1 1 12 8354 1 1 12 GLU HA H 3.165 -3.716 -2.361 1.00 . A A . 12 GLU HA 1 1 12 8355 1 1 12 GLU HB2 H 3.870 -5.808 -1.284 1.00 . A A . 12 GLU HB2 1 1 12 8356 1 1 12 GLU HB3 H 4.614 -5.667 -2.864 1.00 . A A . 12 GLU HB3 1 1 12 8357 1 1 12 GLU HE2 H 6.877 -7.779 -0.542 1.00 . A A . 12 GLU HE2 1 1 12 8358 1 1 12 GLU HG2 H 6.515 -4.424 -1.300 1.00 . A A . 12 GLU HG2 1 1 12 8359 1 1 12 GLU HG3 H 5.876 -5.592 -0.160 1.00 . A A . 12 GLU HG3 1 1 12 8360 1 1 12 GLU N N 5.017 -3.024 -2.845 1.00 . A A . 12 GLU N 1 1 12 8361 1 1 12 GLU O O 5.240 -2.911 0.032 1.00 . A A . 12 GLU O 1 1 12 8362 1 1 12 GLU OE1 O 6.756 -6.609 -3.132 1.00 . A A . 12 GLU OE1 1 1 12 8363 1 1 12 GLU OE2 O 7.487 -7.214 -1.098 1.00 . A A . 12 GLU OE2 1 1 12 8364 1 1 13 TYR C C 2.602 -3.284 2.335 1.00 . A A . 13 TYR C 1 1 12 8365 1 1 13 TYR CA C 2.839 -2.227 1.255 1.00 . A A . 13 TYR CA 1 1 12 8366 1 1 13 TYR CB C 1.609 -1.322 1.165 1.00 . A A . 13 TYR CB 1 1 12 8367 1 1 13 TYR CD1 C 1.914 -0.062 3.327 1.00 . A A . 13 TYR CD1 1 1 12 8368 1 1 13 TYR CD2 C -0.178 -1.151 2.936 1.00 . A A . 13 TYR CD2 1 1 12 8369 1 1 13 TYR CE1 C 1.433 0.402 4.602 1.00 . A A . 13 TYR CE1 1 1 12 8370 1 1 13 TYR CE2 C -0.658 -0.687 4.211 1.00 . A A . 13 TYR CE2 1 1 12 8371 1 1 13 TYR CG C 1.098 -0.829 2.520 1.00 . A A . 13 TYR CG 1 1 12 8372 1 1 13 TYR CZ C 0.171 0.067 4.982 1.00 . A A . 13 TYR CZ 1 1 12 8373 1 1 13 TYR H H 2.121 -3.022 -0.532 1.00 . A A . 13 TYR H 1 1 12 8374 1 1 13 TYR HA H 3.763 -1.692 1.477 1.00 . A A . 13 TYR HA 1 1 12 8375 1 1 13 TYR HB2 H 1.849 -0.460 0.543 1.00 . A A . 13 TYR HB2 1 1 12 8376 1 1 13 TYR HB3 H 0.808 -1.864 0.662 1.00 . A A . 13 TYR HB3 1 1 12 8377 1 1 13 TYR HD1 H 2.921 0.193 2.999 1.00 . A A . 13 TYR HD1 1 1 12 8378 1 1 13 TYR HD2 H -0.822 -1.757 2.298 1.00 . A A . 13 TYR HD2 1 1 12 8379 1 1 13 TYR HE1 H 2.067 1.009 5.250 1.00 . A A . 13 TYR HE1 1 1 12 8380 1 1 13 TYR HE2 H -1.664 -0.934 4.552 1.00 . A A . 13 TYR HE2 1 1 12 8381 1 1 13 TYR HH H -0.161 -0.207 6.878 1.00 . A A . 13 TYR HH 1 1 12 8382 1 1 13 TYR N N 2.981 -2.842 -0.054 1.00 . A A . 13 TYR N 1 1 12 8383 1 1 13 TYR O O 1.929 -4.284 2.092 1.00 . A A . 13 TYR O 1 1 12 8384 1 1 13 TYR OH O -0.283 0.505 6.186 1.00 . A A . 13 TYR OH 1 1 12 8385 1 1 14 ASP C C 2.138 -3.305 5.692 1.00 . A A . 14 ASP C 1 1 12 8386 1 1 14 ASP CA C 3.027 -3.944 4.623 1.00 . A A . 14 ASP CA 1 1 12 8387 1 1 14 ASP CB C 4.384 -4.251 5.258 1.00 . A A . 14 ASP CB 1 1 12 8388 1 1 14 ASP CG C 5.006 -5.586 4.842 1.00 . A A . 14 ASP CG 1 1 12 8389 1 1 14 ASP H H 3.714 -2.211 3.694 1.00 . A A . 14 ASP H 1 1 12 8390 1 1 14 ASP HA H 2.586 -4.846 4.199 1.00 . A A . 14 ASP HA 1 1 12 8391 1 1 14 ASP HB2 H 5.077 -3.449 5.004 1.00 . A A . 14 ASP HB2 1 1 12 8392 1 1 14 ASP HB3 H 4.271 -4.243 6.342 1.00 . A A . 14 ASP HB3 1 1 12 8393 1 1 14 ASP HD2 H 4.680 -6.201 3.092 1.00 . A A . 14 ASP HD2 1 1 12 8394 1 1 14 ASP N N 3.168 -3.027 3.505 1.00 . A A . 14 ASP N 1 1 12 8395 1 1 14 ASP O O 2.569 -2.396 6.400 1.00 . A A . 14 ASP O 1 1 12 8396 1 1 14 ASP OD1 O 5.153 -6.505 5.661 1.00 . A A . 14 ASP OD1 1 1 12 8397 1 1 14 ASP OD2 O 5.352 -5.662 3.601 1.00 . A A . 14 ASP OD2 1 1 12 8398 1 1 15 PRO C C 0.263 -3.802 8.156 1.00 . A A . 15 PRO C 1 1 12 8399 1 1 15 PRO CA C -0.071 -3.308 6.747 1.00 . A A . 15 PRO CA 1 1 12 8400 1 1 15 PRO CB C -1.428 -3.787 6.256 1.00 . A A . 15 PRO CB 1 1 12 8401 1 1 15 PRO CD C 0.337 -4.894 4.954 1.00 . A A . 15 PRO CD 1 1 12 8402 1 1 15 PRO CG C -1.144 -4.930 5.296 1.00 . A A . 15 PRO CG 1 1 12 8403 1 1 15 PRO HA H -0.024 -2.310 6.789 1.00 . A A . 15 PRO HA 1 1 12 8404 1 1 15 PRO HB2 H -2.049 -4.120 7.088 1.00 . A A . 15 PRO HB2 1 1 12 8405 1 1 15 PRO HB3 H -1.969 -2.983 5.757 1.00 . A A . 15 PRO HB3 1 1 12 8406 1 1 15 PRO HD2 H 0.818 -5.846 5.178 1.00 . A A . 15 PRO HD2 1 1 12 8407 1 1 15 PRO HD3 H 0.494 -4.700 3.893 1.00 . A A . 15 PRO HD3 1 1 12 8408 1 1 15 PRO HG2 H -1.407 -5.885 5.751 1.00 . A A . 15 PRO HG2 1 1 12 8409 1 1 15 PRO HG3 H -1.746 -4.830 4.393 1.00 . A A . 15 PRO HG3 1 1 12 8410 1 1 15 PRO N N 0.882 -3.818 5.776 1.00 . A A . 15 PRO N 1 1 12 8411 1 1 15 PRO O O -0.022 -3.121 9.140 1.00 . A A . 15 PRO O 1 1 12 8412 1 1 16 ALA C C 2.493 -4.878 10.011 1.00 . A A . 16 ALA C 1 1 12 8413 1 1 16 ALA CA C 1.239 -5.575 9.480 1.00 . A A . 16 ALA CA 1 1 12 8414 1 1 16 ALA CB C 1.439 -7.081 9.302 1.00 . A A . 16 ALA CB 1 1 12 8415 1 1 16 ALA H H 1.091 -5.529 7.403 1.00 . A A . 16 ALA H 1 1 12 8416 1 1 16 ALA HA H 0.418 -5.410 10.178 1.00 . A A . 16 ALA HA 1 1 12 8417 1 1 16 ALA HB1 H 0.699 -7.619 9.894 1.00 . A A . 16 ALA HB1 1 1 12 8418 1 1 16 ALA HB2 H 1.322 -7.342 8.250 1.00 . A A . 16 ALA HB2 1 1 12 8419 1 1 16 ALA HB3 H 2.440 -7.356 9.635 1.00 . A A . 16 ALA HB3 1 1 12 8420 1 1 16 ALA N N 0.863 -4.982 8.208 1.00 . A A . 16 ALA N 1 1 12 8421 1 1 16 ALA O O 2.965 -5.191 11.103 1.00 . A A . 16 ALA O 1 1 12 8422 1 1 17 GLU C C 3.870 -1.711 9.693 1.00 . A A . 17 GLU C 1 1 12 8423 1 1 17 GLU CA C 4.187 -3.204 9.591 1.00 . A A . 17 GLU CA 1 1 12 8424 1 1 17 GLU CB C 5.327 -3.457 8.602 1.00 . A A . 17 GLU CB 1 1 12 8425 1 1 17 GLU CD C 7.606 -4.161 9.419 1.00 . A A . 17 GLU CD 1 1 12 8426 1 1 17 GLU CG C 6.664 -2.981 9.174 1.00 . A A . 17 GLU CG 1 1 12 8427 1 1 17 GLU H H 2.606 -3.699 8.328 1.00 . A A . 17 GLU H 1 1 12 8428 1 1 17 GLU HA H 4.472 -3.589 10.570 1.00 . A A . 17 GLU HA 1 1 12 8429 1 1 17 GLU HB2 H 5.384 -4.520 8.372 1.00 . A A . 17 GLU HB2 1 1 12 8430 1 1 17 GLU HB3 H 5.122 -2.938 7.666 1.00 . A A . 17 GLU HB3 1 1 12 8431 1 1 17 GLU HE2 H 9.406 -3.946 9.932 1.00 . A A . 17 GLU HE2 1 1 12 8432 1 1 17 GLU HG2 H 7.129 -2.277 8.483 1.00 . A A . 17 GLU HG2 1 1 12 8433 1 1 17 GLU HG3 H 6.494 -2.446 10.108 1.00 . A A . 17 GLU HG3 1 1 12 8434 1 1 17 GLU N N 2.997 -3.947 9.214 1.00 . A A . 17 GLU N 1 1 12 8435 1 1 17 GLU O O 4.104 -1.092 10.730 1.00 . A A . 17 GLU O 1 1 12 8436 1 1 17 GLU OE1 O 7.164 -5.221 9.885 1.00 . A A . 17 GLU OE1 1 1 12 8437 1 1 17 GLU OE2 O 8.840 -3.948 9.107 1.00 . A A . 17 GLU OE2 1 1 12 8438 1 1 18 GLY C C 3.759 0.954 7.443 1.00 . A A . 18 GLY C 1 1 12 8439 1 1 18 GLY CA C 2.992 0.234 8.555 1.00 . A A . 18 GLY CA 1 1 12 8440 1 1 18 GLY H H 3.156 -1.685 7.762 1.00 . A A . 18 GLY H 1 1 12 8441 1 1 18 GLY HA2 H 1.920 0.340 8.389 1.00 . A A . 18 GLY HA2 1 1 12 8442 1 1 18 GLY HA3 H 3.213 0.700 9.515 1.00 . A A . 18 GLY HA3 1 1 12 8443 1 1 18 GLY N N 3.343 -1.175 8.601 1.00 . A A . 18 GLY N 1 1 12 8444 1 1 18 GLY O O 3.933 0.412 6.353 1.00 . A A . 18 GLY O 1 1 12 8445 1 1 19 ASP C C 5.341 4.290 7.451 1.00 . A A . 19 ASP C 1 1 12 8446 1 1 19 ASP CA C 4.940 2.964 6.800 1.00 . A A . 19 ASP CA 1 1 12 8447 1 1 19 ASP CB C 4.090 3.280 5.568 1.00 . A A . 19 ASP CB 1 1 12 8448 1 1 19 ASP CG C 4.837 3.219 4.234 1.00 . A A . 19 ASP CG 1 1 12 8449 1 1 19 ASP H H 4.050 2.598 8.647 1.00 . A A . 19 ASP H 1 1 12 8450 1 1 19 ASP HA H 5.803 2.355 6.528 1.00 . A A . 19 ASP HA 1 1 12 8451 1 1 19 ASP HB2 H 3.255 2.581 5.533 1.00 . A A . 19 ASP HB2 1 1 12 8452 1 1 19 ASP HB3 H 3.666 4.277 5.684 1.00 . A A . 19 ASP HB3 1 1 12 8453 1 1 19 ASP HD2 H 6.267 4.048 3.333 1.00 . A A . 19 ASP HD2 1 1 12 8454 1 1 19 ASP N N 4.196 2.165 7.758 1.00 . A A . 19 ASP N 1 1 12 8455 1 1 19 ASP O O 4.484 5.048 7.902 1.00 . A A . 19 ASP O 1 1 12 8456 1 1 19 ASP OD1 O 4.786 2.206 3.520 1.00 . A A . 19 ASP OD1 1 1 12 8457 1 1 19 ASP OD2 O 5.501 4.282 3.932 1.00 . A A . 19 ASP OD2 1 1 12 8458 1 1 20 PRO C C 6.968 6.953 7.144 1.00 . A A . 20 PRO C 1 1 12 8459 1 1 20 PRO CA C 7.203 5.755 8.067 1.00 . A A . 20 PRO CA 1 1 12 8460 1 1 20 PRO CB C 8.677 5.473 8.310 1.00 . A A . 20 PRO CB 1 1 12 8461 1 1 20 PRO CD C 7.723 3.659 6.954 1.00 . A A . 20 PRO CD 1 1 12 8462 1 1 20 PRO CG C 9.025 4.284 7.429 1.00 . A A . 20 PRO CG 1 1 12 8463 1 1 20 PRO HA H 6.721 5.967 8.917 1.00 . A A . 20 PRO HA 1 1 12 8464 1 1 20 PRO HB2 H 9.288 6.339 8.056 1.00 . A A . 20 PRO HB2 1 1 12 8465 1 1 20 PRO HB3 H 8.864 5.249 9.360 1.00 . A A . 20 PRO HB3 1 1 12 8466 1 1 20 PRO HD2 H 7.683 3.604 5.866 1.00 . A A . 20 PRO HD2 1 1 12 8467 1 1 20 PRO HD3 H 7.612 2.642 7.329 1.00 . A A . 20 PRO HD3 1 1 12 8468 1 1 20 PRO HG2 H 9.628 4.603 6.579 1.00 . A A . 20 PRO HG2 1 1 12 8469 1 1 20 PRO HG3 H 9.616 3.557 7.985 1.00 . A A . 20 PRO HG3 1 1 12 8470 1 1 20 PRO N N 6.679 4.535 7.479 1.00 . A A . 20 PRO N 1 1 12 8471 1 1 20 PRO O O 6.680 8.054 7.611 1.00 . A A . 20 PRO O 1 1 12 8472 1 1 21 ASP C C 5.717 8.613 5.267 1.00 . A A . 21 ASP C 1 1 12 8473 1 1 21 ASP CA C 6.906 7.742 4.859 1.00 . A A . 21 ASP CA 1 1 12 8474 1 1 21 ASP CB C 6.604 7.144 3.483 1.00 . A A . 21 ASP CB 1 1 12 8475 1 1 21 ASP CG C 7.272 7.859 2.307 1.00 . A A . 21 ASP CG 1 1 12 8476 1 1 21 ASP H H 7.335 5.800 5.479 1.00 . A A . 21 ASP H 1 1 12 8477 1 1 21 ASP HA H 7.844 8.298 4.840 1.00 . A A . 21 ASP HA 1 1 12 8478 1 1 21 ASP HB2 H 6.918 6.101 3.480 1.00 . A A . 21 ASP HB2 1 1 12 8479 1 1 21 ASP HB3 H 5.525 7.153 3.329 1.00 . A A . 21 ASP HB3 1 1 12 8480 1 1 21 ASP HD2 H 6.293 9.452 2.534 1.00 . A A . 21 ASP HD2 1 1 12 8481 1 1 21 ASP N N 7.101 6.698 5.851 1.00 . A A . 21 ASP N 1 1 12 8482 1 1 21 ASP O O 5.794 9.839 5.216 1.00 . A A . 21 ASP O 1 1 12 8483 1 1 21 ASP OD1 O 8.383 7.502 1.889 1.00 . A A . 21 ASP OD1 1 1 12 8484 1 1 21 ASP OD2 O 6.593 8.836 1.806 1.00 . A A . 21 ASP OD2 1 1 12 8485 1 1 22 ASN C C 3.129 8.290 7.537 1.00 . A A . 22 ASN C 1 1 12 8486 1 1 22 ASN CA C 3.439 8.643 6.081 1.00 . A A . 22 ASN CA 1 1 12 8487 1 1 22 ASN CB C 2.239 8.228 5.228 1.00 . A A . 22 ASN CB 1 1 12 8488 1 1 22 ASN CG C 2.147 9.080 3.960 1.00 . A A . 22 ASN CG 1 1 12 8489 1 1 22 ASN H H 4.589 6.947 5.703 1.00 . A A . 22 ASN H 1 1 12 8490 1 1 22 ASN HA H 3.661 9.702 5.947 1.00 . A A . 22 ASN HA 1 1 12 8491 1 1 22 ASN HB2 H 2.326 7.176 4.958 1.00 . A A . 22 ASN HB2 1 1 12 8492 1 1 22 ASN HB3 H 1.322 8.334 5.808 1.00 . A A . 22 ASN HB3 1 1 12 8493 1 1 22 ASN HD21 H 3.781 8.117 3.252 1.00 . A A . 22 ASN HD21 1 1 12 8494 1 1 22 ASN HD22 H 3.118 9.323 2.201 1.00 . A A . 22 ASN HD22 1 1 12 8495 1 1 22 ASN N N 4.643 7.945 5.664 1.00 . A A . 22 ASN N 1 1 12 8496 1 1 22 ASN ND2 N 3.094 8.818 3.063 1.00 . A A . 22 ASN ND2 1 1 12 8497 1 1 22 ASN O O 1.965 8.199 7.923 1.00 . A A . 22 ASN O 1 1 12 8498 1 1 22 ASN OD1 O 1.275 9.919 3.807 1.00 . A A . 22 ASN OD1 1 1 12 8499 1 1 23 GLY C C 2.846 6.837 9.931 1.00 . A A . 23 GLY C 1 1 12 8500 1 1 23 GLY CA C 4.047 7.759 9.711 1.00 . A A . 23 GLY CA 1 1 12 8501 1 1 23 GLY H H 5.135 8.175 7.984 1.00 . A A . 23 GLY H 1 1 12 8502 1 1 23 GLY HA2 H 4.955 7.270 10.065 1.00 . A A . 23 GLY HA2 1 1 12 8503 1 1 23 GLY HA3 H 3.925 8.668 10.299 1.00 . A A . 23 GLY HA3 1 1 12 8504 1 1 23 GLY N N 4.191 8.100 8.306 1.00 . A A . 23 GLY N 1 1 12 8505 1 1 23 GLY O O 1.726 7.307 10.126 1.00 . A A . 23 GLY O 1 1 12 8506 1 1 24 VAL C C 2.556 3.498 11.086 1.00 . A A . 24 VAL C 1 1 12 8507 1 1 24 VAL CA C 2.076 4.550 10.085 1.00 . A A . 24 VAL CA 1 1 12 8508 1 1 24 VAL CB C 1.668 3.950 8.737 1.00 . A A . 24 VAL CB 1 1 12 8509 1 1 24 VAL CG1 C 0.931 2.623 8.928 1.00 . A A . 24 VAL CG1 1 1 12 8510 1 1 24 VAL CG2 C 0.821 4.937 7.932 1.00 . A A . 24 VAL CG2 1 1 12 8511 1 1 24 VAL H H 4.034 5.168 9.733 1.00 . A A . 24 VAL H 1 1 12 8512 1 1 24 VAL HA H 1.209 5.062 10.502 1.00 . A A . 24 VAL HA 1 1 12 8513 1 1 24 VAL HB H 2.578 3.750 8.171 1.00 . A A . 24 VAL HB 1 1 12 8514 1 1 24 VAL HG11 H -0.020 2.805 9.428 1.00 . A A . 24 VAL HG11 1 1 12 8515 1 1 24 VAL HG12 H 0.749 2.166 7.956 1.00 . A A . 24 VAL HG12 1 1 12 8516 1 1 24 VAL HG13 H 1.539 1.954 9.536 1.00 . A A . 24 VAL HG13 1 1 12 8517 1 1 24 VAL HG21 H -0.235 4.765 8.141 1.00 . A A . 24 VAL HG21 1 1 12 8518 1 1 24 VAL HG22 H 1.085 5.957 8.213 1.00 . A A . 24 VAL HG22 1 1 12 8519 1 1 24 VAL HG23 H 1.009 4.794 6.868 1.00 . A A . 24 VAL HG23 1 1 12 8520 1 1 24 VAL N N 3.120 5.541 9.892 1.00 . A A . 24 VAL N 1 1 12 8521 1 1 24 VAL O O 3.755 3.252 11.207 1.00 . A A . 24 VAL O 1 1 12 8522 1 1 25 LYS C C 1.658 0.502 12.160 1.00 . A A . 25 LYS C 1 1 12 8523 1 1 25 LYS CA C 1.905 1.885 12.767 1.00 . A A . 25 LYS CA 1 1 12 8524 1 1 25 LYS CB C 1.127 2.137 14.060 1.00 . A A . 25 LYS CB 1 1 12 8525 1 1 25 LYS CD C 1.044 3.539 16.155 1.00 . A A . 25 LYS CD 1 1 12 8526 1 1 25 LYS CE C 0.852 2.473 17.235 1.00 . A A . 25 LYS CE 1 1 12 8527 1 1 25 LYS CG C 1.929 3.017 15.021 1.00 . A A . 25 LYS CG 1 1 12 8528 1 1 25 LYS H H 0.622 3.111 11.676 1.00 . A A . 25 LYS H 1 1 12 8529 1 1 25 LYS HA H 2.965 1.973 13.007 1.00 . A A . 25 LYS HA 1 1 12 8530 1 1 25 LYS HB2 H 0.176 2.617 13.829 1.00 . A A . 25 LYS HB2 1 1 12 8531 1 1 25 LYS HB3 H 0.894 1.186 14.540 1.00 . A A . 25 LYS HB3 1 1 12 8532 1 1 25 LYS HD2 H 1.497 4.428 16.593 1.00 . A A . 25 LYS HD2 1 1 12 8533 1 1 25 LYS HD3 H 0.075 3.838 15.756 1.00 . A A . 25 LYS HD3 1 1 12 8534 1 1 25 LYS HE2 H -0.189 2.149 17.253 1.00 . A A . 25 LYS HE2 1 1 12 8535 1 1 25 LYS HE3 H 1.454 1.595 17.000 1.00 . A A . 25 LYS HE3 1 1 12 8536 1 1 25 LYS HG2 H 2.759 2.445 15.436 1.00 . A A . 25 LYS HG2 1 1 12 8537 1 1 25 LYS HG3 H 2.361 3.856 14.476 1.00 . A A . 25 LYS HG3 1 1 12 8538 1 1 25 LYS HZ1 H 2.095 3.540 18.522 1.00 . A A . 25 LYS HZ1 1 1 12 8539 1 1 25 LYS HZ3 H 1.383 2.264 19.239 1.00 . A A . 25 LYS HZ3 1 1 12 8540 1 1 25 LYS N N 1.595 2.905 11.780 1.00 . A A . 25 LYS N 1 1 12 8541 1 1 25 LYS NZ N 1.236 3.004 18.562 1.00 . A A . 25 LYS NZ 1 1 12 8542 1 1 25 LYS O O 0.990 0.380 11.135 1.00 . A A . 25 LYS O 1 1 12 8543 1 1 26 PRO C C 0.670 -2.429 12.677 1.00 . A A . 26 PRO C 1 1 12 8544 1 1 26 PRO CA C 2.074 -1.902 12.376 1.00 . A A . 26 PRO CA 1 1 12 8545 1 1 26 PRO CB C 3.167 -2.680 13.089 1.00 . A A . 26 PRO CB 1 1 12 8546 1 1 26 PRO CD C 3.024 -0.426 14.055 1.00 . A A . 26 PRO CD 1 1 12 8547 1 1 26 PRO CG C 3.590 -1.820 14.269 1.00 . A A . 26 PRO CG 1 1 12 8548 1 1 26 PRO HA H 2.176 -1.946 11.382 1.00 . A A . 26 PRO HA 1 1 12 8549 1 1 26 PRO HB2 H 2.800 -3.650 13.425 1.00 . A A . 26 PRO HB2 1 1 12 8550 1 1 26 PRO HB3 H 4.009 -2.871 12.423 1.00 . A A . 26 PRO HB3 1 1 12 8551 1 1 26 PRO HD2 H 2.413 -0.113 14.902 1.00 . A A . 26 PRO HD2 1 1 12 8552 1 1 26 PRO HD3 H 3.818 0.312 13.945 1.00 . A A . 26 PRO HD3 1 1 12 8553 1 1 26 PRO HG2 H 3.220 -2.244 15.202 1.00 . A A . 26 PRO HG2 1 1 12 8554 1 1 26 PRO HG3 H 4.677 -1.783 14.344 1.00 . A A . 26 PRO HG3 1 1 12 8555 1 1 26 PRO N N 2.226 -0.532 12.837 1.00 . A A . 26 PRO N 1 1 12 8556 1 1 26 PRO O O 0.024 -1.981 13.623 1.00 . A A . 26 PRO O 1 1 12 8557 1 1 27 GLY C C -2.153 -3.113 11.350 1.00 . A A . 27 GLY C 1 1 12 8558 1 1 27 GLY CA C -1.077 -3.968 12.021 1.00 . A A . 27 GLY CA 1 1 12 8559 1 1 27 GLY H H 0.771 -3.734 11.087 1.00 . A A . 27 GLY H 1 1 12 8560 1 1 27 GLY HA2 H -1.084 -4.971 11.592 1.00 . A A . 27 GLY HA2 1 1 12 8561 1 1 27 GLY HA3 H -1.300 -4.074 13.082 1.00 . A A . 27 GLY HA3 1 1 12 8562 1 1 27 GLY N N 0.239 -3.375 11.854 1.00 . A A . 27 GLY N 1 1 12 8563 1 1 27 GLY O O -3.312 -3.517 11.271 1.00 . A A . 27 GLY O 1 1 12 8564 1 1 28 THR C C -3.009 -1.553 8.830 1.00 . A A . 28 THR C 1 1 12 8565 1 1 28 THR CA C -2.645 -1.031 10.221 1.00 . A A . 28 THR CA 1 1 12 8566 1 1 28 THR CB C -1.993 0.353 10.199 1.00 . A A . 28 THR CB 1 1 12 8567 1 1 28 THR CG2 C -2.906 1.421 9.592 1.00 . A A . 28 THR CG2 1 1 12 8568 1 1 28 THR H H -0.787 -1.626 10.951 1.00 . A A . 28 THR H 1 1 12 8569 1 1 28 THR HA H -3.568 -0.989 10.799 1.00 . A A . 28 THR HA 1 1 12 8570 1 1 28 THR HB H -1.033 0.323 9.684 1.00 . A A . 28 THR HB 1 1 12 8571 1 1 28 THR HG1 H -0.947 0.876 11.823 1.00 . A A . 28 THR HG1 1 1 12 8572 1 1 28 THR HG21 H -3.860 1.426 10.121 1.00 . A A . 28 THR HG21 1 1 12 8573 1 1 28 THR HG22 H -2.433 2.398 9.685 1.00 . A A . 28 THR HG22 1 1 12 8574 1 1 28 THR HG23 H -3.076 1.197 8.539 1.00 . A A . 28 THR HG23 1 1 12 8575 1 1 28 THR N N -1.731 -1.947 10.883 1.00 . A A . 28 THR N 1 1 12 8576 1 1 28 THR O O -2.216 -2.250 8.198 1.00 . A A . 28 THR O 1 1 12 8577 1 1 28 THR OG1 O -1.902 0.716 11.574 1.00 . A A . 28 THR OG1 1 1 12 8578 1 1 29 SER C C -4.625 -0.451 6.104 1.00 . A A . 29 SER C 1 1 12 8579 1 1 29 SER CA C -4.687 -1.620 7.089 1.00 . A A . 29 SER CA 1 1 12 8580 1 1 29 SER CB C -6.113 -2.167 7.177 1.00 . A A . 29 SER CB 1 1 12 8581 1 1 29 SER H H -4.846 -0.629 8.915 1.00 . A A . 29 SER H 1 1 12 8582 1 1 29 SER HA H -4.011 -2.418 6.779 1.00 . A A . 29 SER HA 1 1 12 8583 1 1 29 SER HB2 H -6.302 -2.825 6.328 1.00 . A A . 29 SER HB2 1 1 12 8584 1 1 29 SER HB3 H -6.215 -2.771 8.078 1.00 . A A . 29 SER HB3 1 1 12 8585 1 1 29 SER HG H -7.994 -1.507 7.350 1.00 . A A . 29 SER HG 1 1 12 8586 1 1 29 SER N N -4.208 -1.196 8.394 1.00 . A A . 29 SER N 1 1 12 8587 1 1 29 SER O O -4.886 0.692 6.475 1.00 . A A . 29 SER O 1 1 12 8588 1 1 29 SER OG O -7.084 -1.124 7.193 1.00 . A A . 29 SER OG 1 1 12 8589 1 1 30 PHE C C -5.434 1.107 3.792 1.00 . A A . 30 PHE C 1 1 12 8590 1 1 30 PHE CA C -4.181 0.230 3.827 1.00 . A A . 30 PHE CA 1 1 12 8591 1 1 30 PHE CB C -4.055 -0.513 2.495 1.00 . A A . 30 PHE CB 1 1 12 8592 1 1 30 PHE CD1 C -2.358 0.675 1.088 1.00 . A A . 30 PHE CD1 1 1 12 8593 1 1 30 PHE CD2 C -4.628 0.887 0.499 1.00 . A A . 30 PHE CD2 1 1 12 8594 1 1 30 PHE CE1 C -1.996 1.506 -0.005 1.00 . A A . 30 PHE CE1 1 1 12 8595 1 1 30 PHE CE2 C -4.267 1.718 -0.594 1.00 . A A . 30 PHE CE2 1 1 12 8596 1 1 30 PHE CG C -3.666 0.383 1.317 1.00 . A A . 30 PHE CG 1 1 12 8597 1 1 30 PHE CZ C -2.959 2.010 -0.823 1.00 . A A . 30 PHE CZ 1 1 12 8598 1 1 30 PHE H H -4.069 -1.711 4.574 1.00 . A A . 30 PHE H 1 1 12 8599 1 1 30 PHE HA H -3.313 0.848 4.056 1.00 . A A . 30 PHE HA 1 1 12 8600 1 1 30 PHE HB2 H -3.311 -1.302 2.599 1.00 . A A . 30 PHE HB2 1 1 12 8601 1 1 30 PHE HB3 H -5.005 -0.998 2.270 1.00 . A A . 30 PHE HB3 1 1 12 8602 1 1 30 PHE HD1 H -1.586 0.271 1.744 1.00 . A A . 30 PHE HD1 1 1 12 8603 1 1 30 PHE HD2 H -5.677 0.653 0.682 1.00 . A A . 30 PHE HD2 1 1 12 8604 1 1 30 PHE HE1 H -0.948 1.740 -0.188 1.00 . A A . 30 PHE HE1 1 1 12 8605 1 1 30 PHE HE2 H -5.038 2.122 -1.250 1.00 . A A . 30 PHE HE2 1 1 12 8606 1 1 30 PHE HZ H -2.681 2.648 -1.662 1.00 . A A . 30 PHE HZ 1 1 12 8607 1 1 30 PHE N N -4.279 -0.779 4.868 1.00 . A A . 30 PHE N 1 1 12 8608 1 1 30 PHE O O -5.338 2.330 3.708 1.00 . A A . 30 PHE O 1 1 12 8609 1 1 31 ASP C C -7.868 2.201 4.950 1.00 . A A . 31 ASP C 1 1 12 8610 1 1 31 ASP CA C -7.852 1.151 3.836 1.00 . A A . 31 ASP CA 1 1 12 8611 1 1 31 ASP CB C -9.018 0.191 4.075 1.00 . A A . 31 ASP CB 1 1 12 8612 1 1 31 ASP CG C -9.820 -0.176 2.824 1.00 . A A . 31 ASP CG 1 1 12 8613 1 1 31 ASP H H -6.650 -0.548 3.927 1.00 . A A . 31 ASP H 1 1 12 8614 1 1 31 ASP HA H -7.915 1.596 2.843 1.00 . A A . 31 ASP HA 1 1 12 8615 1 1 31 ASP HB2 H -8.630 -0.725 4.521 1.00 . A A . 31 ASP HB2 1 1 12 8616 1 1 31 ASP HB3 H -9.694 0.638 4.803 1.00 . A A . 31 ASP HB3 1 1 12 8617 1 1 31 ASP HD2 H -11.141 -1.343 3.487 1.00 . A A . 31 ASP HD2 1 1 12 8618 1 1 31 ASP N N -6.581 0.447 3.859 1.00 . A A . 31 ASP N 1 1 12 8619 1 1 31 ASP O O -8.585 3.196 4.859 1.00 . A A . 31 ASP O 1 1 12 8620 1 1 31 ASP OD1 O -9.285 -0.195 1.706 1.00 . A A . 31 ASP OD1 1 1 12 8621 1 1 31 ASP OD2 O -11.062 -0.455 3.035 1.00 . A A . 31 ASP OD2 1 1 12 8622 1 1 32 ASP C C -6.124 4.056 6.719 1.00 . A A . 32 ASP C 1 1 12 8623 1 1 32 ASP CA C -6.984 2.851 7.105 1.00 . A A . 32 ASP CA 1 1 12 8624 1 1 32 ASP CB C -6.332 2.172 8.311 1.00 . A A . 32 ASP CB 1 1 12 8625 1 1 32 ASP CG C -6.537 2.889 9.646 1.00 . A A . 32 ASP CG 1 1 12 8626 1 1 32 ASP H H -6.490 1.130 6.041 1.00 . A A . 32 ASP H 1 1 12 8627 1 1 32 ASP HA H -8.014 3.128 7.328 1.00 . A A . 32 ASP HA 1 1 12 8628 1 1 32 ASP HB2 H -6.726 1.159 8.395 1.00 . A A . 32 ASP HB2 1 1 12 8629 1 1 32 ASP HB3 H -5.262 2.083 8.124 1.00 . A A . 32 ASP HB3 1 1 12 8630 1 1 32 ASP HD2 H -6.921 1.442 10.790 1.00 . A A . 32 ASP HD2 1 1 12 8631 1 1 32 ASP N N -7.070 1.942 5.975 1.00 . A A . 32 ASP N 1 1 12 8632 1 1 32 ASP O O -6.381 5.175 7.162 1.00 . A A . 32 ASP O 1 1 12 8633 1 1 32 ASP OD1 O -5.965 3.961 9.890 1.00 . A A . 32 ASP OD1 1 1 12 8634 1 1 32 ASP OD2 O -7.334 2.294 10.468 1.00 . A A . 32 ASP OD2 1 1 12 8635 1 1 33 LEU C C -5.038 6.062 5.035 1.00 . A A . 33 LEU C 1 1 12 8636 1 1 33 LEU CA C -4.220 4.836 5.448 1.00 . A A . 33 LEU CA 1 1 12 8637 1 1 33 LEU CB C -3.296 4.313 4.346 1.00 . A A . 33 LEU CB 1 1 12 8638 1 1 33 LEU CD1 C -1.528 2.699 3.555 1.00 . A A . 33 LEU CD1 1 1 12 8639 1 1 33 LEU CD2 C -1.352 3.758 5.853 1.00 . A A . 33 LEU CD2 1 1 12 8640 1 1 33 LEU CG C -2.293 3.237 4.766 1.00 . A A . 33 LEU CG 1 1 12 8641 1 1 33 LEU H H -4.916 2.875 5.542 1.00 . A A . 33 LEU H 1 1 12 8642 1 1 33 LEU HA H -3.589 5.111 6.293 1.00 . A A . 33 LEU HA 1 1 12 8643 1 1 33 LEU HB2 H -3.913 3.913 3.542 1.00 . A A . 33 LEU HB2 1 1 12 8644 1 1 33 LEU HB3 H -2.742 5.157 3.933 1.00 . A A . 33 LEU HB3 1 1 12 8645 1 1 33 LEU HD11 H -1.204 3.531 2.931 1.00 . A A . 33 LEU HD11 1 1 12 8646 1 1 33 LEU HD12 H -0.657 2.139 3.896 1.00 . A A . 33 LEU HD12 1 1 12 8647 1 1 33 LEU HD13 H -2.178 2.042 2.977 1.00 . A A . 33 LEU HD13 1 1 12 8648 1 1 33 LEU HD21 H -1.458 4.840 5.937 1.00 . A A . 33 LEU HD21 1 1 12 8649 1 1 33 LEU HD22 H -1.605 3.294 6.806 1.00 . A A . 33 LEU HD22 1 1 12 8650 1 1 33 LEU HD23 H -0.323 3.513 5.591 1.00 . A A . 33 LEU HD23 1 1 12 8651 1 1 33 LEU HG H -2.848 2.402 5.193 1.00 . A A . 33 LEU HG 1 1 12 8652 1 1 33 LEU N N -5.119 3.788 5.898 1.00 . A A . 33 LEU N 1 1 12 8653 1 1 33 LEU O O -6.218 5.944 4.710 1.00 . A A . 33 LEU O 1 1 12 8654 1 1 34 PRO C C -5.192 8.584 3.177 1.00 . A A . 34 PRO C 1 1 12 8655 1 1 34 PRO CA C -5.011 8.486 4.693 1.00 . A A . 34 PRO CA 1 1 12 8656 1 1 34 PRO CB C -4.117 9.579 5.257 1.00 . A A . 34 PRO CB 1 1 12 8657 1 1 34 PRO CD C -2.961 7.418 5.440 1.00 . A A . 34 PRO CD 1 1 12 8658 1 1 34 PRO CG C -2.769 8.924 5.512 1.00 . A A . 34 PRO CG 1 1 12 8659 1 1 34 PRO HA H -5.932 8.524 5.081 1.00 . A A . 34 PRO HA 1 1 12 8660 1 1 34 PRO HB2 H -4.023 10.407 4.555 1.00 . A A . 34 PRO HB2 1 1 12 8661 1 1 34 PRO HB3 H -4.533 9.988 6.178 1.00 . A A . 34 PRO HB3 1 1 12 8662 1 1 34 PRO HD2 H -2.292 6.968 4.707 1.00 . A A . 34 PRO HD2 1 1 12 8663 1 1 34 PRO HD3 H -2.748 6.946 6.399 1.00 . A A . 34 PRO HD3 1 1 12 8664 1 1 34 PRO HG2 H -2.040 9.252 4.770 1.00 . A A . 34 PRO HG2 1 1 12 8665 1 1 34 PRO HG3 H -2.383 9.214 6.489 1.00 . A A . 34 PRO HG3 1 1 12 8666 1 1 34 PRO N N -4.360 7.240 5.061 1.00 . A A . 34 PRO N 1 1 12 8667 1 1 34 PRO O O -4.583 7.824 2.426 1.00 . A A . 34 PRO O 1 1 12 8668 1 1 35 ALA C C -5.087 10.401 0.708 1.00 . A A . 35 ALA C 1 1 12 8669 1 1 35 ALA CA C -6.299 9.733 1.360 1.00 . A A . 35 ALA CA 1 1 12 8670 1 1 35 ALA CB C -7.577 10.559 1.198 1.00 . A A . 35 ALA CB 1 1 12 8671 1 1 35 ALA H H -6.522 10.140 3.390 1.00 . A A . 35 ALA H 1 1 12 8672 1 1 35 ALA HA H -6.453 8.755 0.904 1.00 . A A . 35 ALA HA 1 1 12 8673 1 1 35 ALA HB1 H -8.327 9.968 0.673 1.00 . A A . 35 ALA HB1 1 1 12 8674 1 1 35 ALA HB2 H -7.956 10.837 2.181 1.00 . A A . 35 ALA HB2 1 1 12 8675 1 1 35 ALA HB3 H -7.357 11.459 0.624 1.00 . A A . 35 ALA HB3 1 1 12 8676 1 1 35 ALA N N -6.031 9.526 2.773 1.00 . A A . 35 ALA N 1 1 12 8677 1 1 35 ALA O O -4.815 10.186 -0.473 1.00 . A A . 35 ALA O 1 1 12 8678 1 1 36 ASP C C -2.042 10.918 0.932 1.00 . A A . 36 ASP C 1 1 12 8679 1 1 36 ASP CA C -3.213 11.898 1.020 1.00 . A A . 36 ASP CA 1 1 12 8680 1 1 36 ASP CB C -2.814 13.028 1.971 1.00 . A A . 36 ASP CB 1 1 12 8681 1 1 36 ASP CG C -2.869 14.433 1.367 1.00 . A A . 36 ASP CG 1 1 12 8682 1 1 36 ASP H H -4.617 11.367 2.464 1.00 . A A . 36 ASP H 1 1 12 8683 1 1 36 ASP HA H -3.498 12.297 0.046 1.00 . A A . 36 ASP HA 1 1 12 8684 1 1 36 ASP HB2 H -3.468 12.998 2.842 1.00 . A A . 36 ASP HB2 1 1 12 8685 1 1 36 ASP HB3 H -1.801 12.842 2.327 1.00 . A A . 36 ASP HB3 1 1 12 8686 1 1 36 ASP HD2 H -1.961 15.570 0.172 1.00 . A A . 36 ASP HD2 1 1 12 8687 1 1 36 ASP N N -4.390 11.198 1.505 1.00 . A A . 36 ASP N 1 1 12 8688 1 1 36 ASP O O -0.931 11.304 0.572 1.00 . A A . 36 ASP O 1 1 12 8689 1 1 36 ASP OD1 O -3.561 15.323 1.883 1.00 . A A . 36 ASP OD1 1 1 12 8690 1 1 36 ASP OD2 O -2.154 14.598 0.306 1.00 . A A . 36 ASP OD2 1 1 12 8691 1 1 37 TRP C C -1.253 8.080 -0.196 1.00 . A A . 37 TRP C 1 1 12 8692 1 1 37 TRP CA C -1.314 8.631 1.230 1.00 . A A . 37 TRP CA 1 1 12 8693 1 1 37 TRP CB C -1.596 7.551 2.277 1.00 . A A . 37 TRP CB 1 1 12 8694 1 1 37 TRP CD1 C 0.388 6.361 3.422 1.00 . A A . 37 TRP CD1 1 1 12 8695 1 1 37 TRP CD2 C -0.150 5.477 1.464 1.00 . A A . 37 TRP CD2 1 1 12 8696 1 1 37 TRP CE2 C 0.914 4.755 1.965 1.00 . A A . 37 TRP CE2 1 1 12 8697 1 1 37 TRP CE3 C -0.730 5.161 0.223 1.00 . A A . 37 TRP CE3 1 1 12 8698 1 1 37 TRP CG C -0.482 6.512 2.414 1.00 . A A . 37 TRP CG 1 1 12 8699 1 1 37 TRP CH2 C 0.929 3.338 0.052 1.00 . A A . 37 TRP CH2 1 1 12 8700 1 1 37 TRP CZ2 C 1.490 3.671 1.291 1.00 . A A . 37 TRP CZ2 1 1 12 8701 1 1 37 TRP CZ3 C -0.143 4.075 -0.438 1.00 . A A . 37 TRP CZ3 1 1 12 8702 1 1 37 TRP H H -3.236 9.364 1.559 1.00 . A A . 37 TRP H 1 1 12 8703 1 1 37 TRP HA H -0.361 9.088 1.494 1.00 . A A . 37 TRP HA 1 1 12 8704 1 1 37 TRP HB2 H -1.753 8.029 3.244 1.00 . A A . 37 TRP HB2 1 1 12 8705 1 1 37 TRP HB3 H -2.524 7.042 2.018 1.00 . A A . 37 TRP HB3 1 1 12 8706 1 1 37 TRP HD1 H 0.409 6.991 4.312 1.00 . A A . 37 TRP HD1 1 1 12 8707 1 1 37 TRP HE1 H 2.051 4.976 3.855 1.00 . A A . 37 TRP HE1 1 1 12 8708 1 1 37 TRP HE3 H -1.571 5.715 -0.194 1.00 . A A . 37 TRP HE3 1 1 12 8709 1 1 37 TRP HH2 H 1.330 2.505 -0.524 1.00 . A A . 37 TRP HH2 1 1 12 8710 1 1 37 TRP HZ2 H 2.331 3.117 1.708 1.00 . A A . 37 TRP HZ2 1 1 12 8711 1 1 37 TRP HZ3 H -0.555 3.788 -1.406 1.00 . A A . 37 TRP HZ3 1 1 12 8712 1 1 37 TRP N N -2.330 9.669 1.267 1.00 . A A . 37 TRP N 1 1 12 8713 1 1 37 TRP NE1 N 1.251 5.310 3.194 1.00 . A A . 37 TRP NE1 1 1 12 8714 1 1 37 TRP O O -2.286 7.848 -0.820 1.00 . A A . 37 TRP O 1 1 12 8715 1 1 38 VAL C C 1.512 6.617 -2.059 1.00 . A A . 38 VAL C 1 1 12 8716 1 1 38 VAL CA C 0.179 7.367 -2.010 1.00 . A A . 38 VAL CA 1 1 12 8717 1 1 38 VAL CB C 0.095 8.504 -3.031 1.00 . A A . 38 VAL CB 1 1 12 8718 1 1 38 VAL CG1 C -1.319 9.086 -3.088 1.00 . A A . 38 VAL CG1 1 1 12 8719 1 1 38 VAL CG2 C 1.125 9.594 -2.724 1.00 . A A . 38 VAL CG2 1 1 12 8720 1 1 38 VAL H H 0.805 8.078 -0.155 1.00 . A A . 38 VAL H 1 1 12 8721 1 1 38 VAL HA H -0.627 6.664 -2.220 1.00 . A A . 38 VAL HA 1 1 12 8722 1 1 38 VAL HB H 0.328 8.091 -4.012 1.00 . A A . 38 VAL HB 1 1 12 8723 1 1 38 VAL HG11 H -2.046 8.291 -2.921 1.00 . A A . 38 VAL HG11 1 1 12 8724 1 1 38 VAL HG12 H -1.430 9.847 -2.316 1.00 . A A . 38 VAL HG12 1 1 12 8725 1 1 38 VAL HG13 H -1.488 9.534 -4.067 1.00 . A A . 38 VAL HG13 1 1 12 8726 1 1 38 VAL HG21 H 1.955 9.162 -2.164 1.00 . A A . 38 VAL HG21 1 1 12 8727 1 1 38 VAL HG22 H 1.496 10.015 -3.658 1.00 . A A . 38 VAL HG22 1 1 12 8728 1 1 38 VAL HG23 H 0.656 10.380 -2.131 1.00 . A A . 38 VAL HG23 1 1 12 8729 1 1 38 VAL N N -0.030 7.887 -0.669 1.00 . A A . 38 VAL N 1 1 12 8730 1 1 38 VAL O O 2.468 6.998 -1.385 1.00 . A A . 38 VAL O 1 1 12 8731 1 1 39 CYS C C 3.945 5.689 -2.972 1.00 . A A . 39 CYS C 1 1 12 8732 1 1 39 CYS CA C 2.732 4.758 -3.009 1.00 . A A . 39 CYS CA 1 1 12 8733 1 1 39 CYS CB C 2.697 3.917 -4.287 1.00 . A A . 39 CYS CB 1 1 12 8734 1 1 39 CYS H H 0.751 5.261 -3.408 1.00 . A A . 39 CYS H 1 1 12 8735 1 1 39 CYS HA H 2.749 4.067 -2.166 1.00 . A A . 39 CYS HA 1 1 12 8736 1 1 39 CYS HB2 H 2.158 2.992 -4.082 1.00 . A A . 39 CYS HB2 1 1 12 8737 1 1 39 CYS HB3 H 2.128 4.456 -5.044 1.00 . A A . 39 CYS HB3 1 1 12 8738 1 1 39 CYS N N 1.533 5.564 -2.863 1.00 . A A . 39 CYS N 1 1 12 8739 1 1 39 CYS O O 4.293 6.302 -3.980 1.00 . A A . 39 CYS O 1 1 12 8740 1 1 39 CYS SG S 4.340 3.498 -4.975 1.00 . A A . 39 CYS SG 1 1 12 8741 1 1 40 PRO C C 6.978 5.988 -2.228 1.00 . A A . 40 PRO C 1 1 12 8742 1 1 40 PRO CA C 5.739 6.616 -1.586 1.00 . A A . 40 PRO CA 1 1 12 8743 1 1 40 PRO CB C 5.872 6.786 -0.082 1.00 . A A . 40 PRO CB 1 1 12 8744 1 1 40 PRO CD C 4.188 5.059 -0.551 1.00 . A A . 40 PRO CD 1 1 12 8745 1 1 40 PRO CG C 5.062 5.659 0.538 1.00 . A A . 40 PRO CG 1 1 12 8746 1 1 40 PRO HA H 5.607 7.493 -2.048 1.00 . A A . 40 PRO HA 1 1 12 8747 1 1 40 PRO HB2 H 6.915 6.733 0.227 1.00 . A A . 40 PRO HB2 1 1 12 8748 1 1 40 PRO HB3 H 5.495 7.759 0.236 1.00 . A A . 40 PRO HB3 1 1 12 8749 1 1 40 PRO HD2 H 4.358 3.987 -0.649 1.00 . A A . 40 PRO HD2 1 1 12 8750 1 1 40 PRO HD3 H 3.130 5.195 -0.331 1.00 . A A . 40 PRO HD3 1 1 12 8751 1 1 40 PRO HG2 H 5.722 4.901 0.959 1.00 . A A . 40 PRO HG2 1 1 12 8752 1 1 40 PRO HG3 H 4.447 6.036 1.356 1.00 . A A . 40 PRO HG3 1 1 12 8753 1 1 40 PRO N N 4.572 5.769 -1.768 1.00 . A A . 40 PRO N 1 1 12 8754 1 1 40 PRO O O 7.932 5.641 -1.534 1.00 . A A . 40 PRO O 1 1 12 8755 1 1 41 VAL C C 7.955 5.741 -5.746 1.00 . A A . 41 VAL C 1 1 12 8756 1 1 41 VAL CA C 8.028 5.281 -4.289 1.00 . A A . 41 VAL CA 1 1 12 8757 1 1 41 VAL CB C 8.014 3.758 -4.142 1.00 . A A . 41 VAL CB 1 1 12 8758 1 1 41 VAL CG1 C 7.056 3.322 -3.032 1.00 . A A . 41 VAL CG1 1 1 12 8759 1 1 41 VAL CG2 C 7.660 3.082 -5.469 1.00 . A A . 41 VAL CG2 1 1 12 8760 1 1 41 VAL H H 6.142 6.146 -4.103 1.00 . A A . 41 VAL H 1 1 12 8761 1 1 41 VAL HA H 8.952 5.654 -3.849 1.00 . A A . 41 VAL HA 1 1 12 8762 1 1 41 VAL HB H 9.018 3.439 -3.862 1.00 . A A . 41 VAL HB 1 1 12 8763 1 1 41 VAL HG11 H 6.904 2.244 -3.085 1.00 . A A . 41 VAL HG11 1 1 12 8764 1 1 41 VAL HG12 H 7.481 3.582 -2.063 1.00 . A A . 41 VAL HG12 1 1 12 8765 1 1 41 VAL HG13 H 6.100 3.830 -3.158 1.00 . A A . 41 VAL HG13 1 1 12 8766 1 1 41 VAL HG21 H 8.461 3.253 -6.189 1.00 . A A . 41 VAL HG21 1 1 12 8767 1 1 41 VAL HG22 H 7.538 2.011 -5.309 1.00 . A A . 41 VAL HG22 1 1 12 8768 1 1 41 VAL HG23 H 6.730 3.501 -5.853 1.00 . A A . 41 VAL HG23 1 1 12 8769 1 1 41 VAL N N 6.922 5.861 -3.546 1.00 . A A . 41 VAL N 1 1 12 8770 1 1 41 VAL O O 8.972 6.090 -6.342 1.00 . A A . 41 VAL O 1 1 12 8771 1 1 42 CYS C C 5.444 7.226 -7.664 1.00 . A A . 42 CYS C 1 1 12 8772 1 1 42 CYS CA C 6.522 6.141 -7.653 1.00 . A A . 42 CYS CA 1 1 12 8773 1 1 42 CYS CB C 6.148 4.956 -8.546 1.00 . A A . 42 CYS CB 1 1 12 8774 1 1 42 CYS H H 5.918 5.444 -5.785 1.00 . A A . 42 CYS H 1 1 12 8775 1 1 42 CYS HA H 7.471 6.535 -8.017 1.00 . A A . 42 CYS HA 1 1 12 8776 1 1 42 CYS HB2 H 6.620 5.089 -9.520 1.00 . A A . 42 CYS HB2 1 1 12 8777 1 1 42 CYS HB3 H 6.563 4.047 -8.112 1.00 . A A . 42 CYS HB3 1 1 12 8778 1 1 42 CYS N N 6.741 5.729 -6.277 1.00 . A A . 42 CYS N 1 1 12 8779 1 1 42 CYS O O 5.604 8.259 -8.312 1.00 . A A . 42 CYS O 1 1 12 8780 1 1 42 CYS SG S 4.350 4.719 -8.794 1.00 . A A . 42 CYS SG 1 1 12 8781 1 1 43 GLY C C 1.920 7.164 -6.870 1.00 . A A . 43 GLY C 1 1 12 8782 1 1 43 GLY CA C 3.264 7.895 -6.856 1.00 . A A . 43 GLY CA 1 1 12 8783 1 1 43 GLY H H 4.246 6.112 -6.414 1.00 . A A . 43 GLY H 1 1 12 8784 1 1 43 GLY HA2 H 3.352 8.485 -5.944 1.00 . A A . 43 GLY HA2 1 1 12 8785 1 1 43 GLY HA3 H 3.312 8.592 -7.693 1.00 . A A . 43 GLY HA3 1 1 12 8786 1 1 43 GLY N N 4.369 6.954 -6.938 1.00 . A A . 43 GLY N 1 1 12 8787 1 1 43 GLY O O 1.698 6.249 -6.078 1.00 . A A . 43 GLY O 1 1 12 8788 1 1 44 ALA C C -0.988 7.085 -6.563 1.00 . A A . 44 ALA C 1 1 12 8789 1 1 44 ALA CA C -0.259 6.995 -7.906 1.00 . A A . 44 ALA CA 1 1 12 8790 1 1 44 ALA CB C -0.117 5.552 -8.396 1.00 . A A . 44 ALA CB 1 1 12 8791 1 1 44 ALA H H 1.245 8.341 -8.418 1.00 . A A . 44 ALA H 1 1 12 8792 1 1 44 ALA HA H -0.814 7.565 -8.650 1.00 . A A . 44 ALA HA 1 1 12 8793 1 1 44 ALA HB1 H 0.932 5.256 -8.354 1.00 . A A . 44 ALA HB1 1 1 12 8794 1 1 44 ALA HB2 H -0.706 4.892 -7.759 1.00 . A A . 44 ALA HB2 1 1 12 8795 1 1 44 ALA HB3 H -0.474 5.481 -9.423 1.00 . A A . 44 ALA HB3 1 1 12 8796 1 1 44 ALA N N 1.057 7.596 -7.778 1.00 . A A . 44 ALA N 1 1 12 8797 1 1 44 ALA O O -0.376 6.925 -5.509 1.00 . A A . 44 ALA O 1 1 12 8798 1 1 45 PRO C C -3.414 6.083 -4.845 1.00 . A A . 45 PRO C 1 1 12 8799 1 1 45 PRO CA C -3.139 7.460 -5.454 1.00 . A A . 45 PRO CA 1 1 12 8800 1 1 45 PRO CB C -4.403 8.171 -5.909 1.00 . A A . 45 PRO CB 1 1 12 8801 1 1 45 PRO CD C -3.079 7.541 -7.881 1.00 . A A . 45 PRO CD 1 1 12 8802 1 1 45 PRO CG C -4.448 8.015 -7.421 1.00 . A A . 45 PRO CG 1 1 12 8803 1 1 45 PRO HA H -2.655 7.979 -4.750 1.00 . A A . 45 PRO HA 1 1 12 8804 1 1 45 PRO HB2 H -5.286 7.732 -5.445 1.00 . A A . 45 PRO HB2 1 1 12 8805 1 1 45 PRO HB3 H -4.383 9.223 -5.626 1.00 . A A . 45 PRO HB3 1 1 12 8806 1 1 45 PRO HD2 H -3.151 6.615 -8.452 1.00 . A A . 45 PRO HD2 1 1 12 8807 1 1 45 PRO HD3 H -2.602 8.278 -8.528 1.00 . A A . 45 PRO HD3 1 1 12 8808 1 1 45 PRO HG2 H -5.216 7.297 -7.708 1.00 . A A . 45 PRO HG2 1 1 12 8809 1 1 45 PRO HG3 H -4.703 8.962 -7.895 1.00 . A A . 45 PRO HG3 1 1 12 8810 1 1 45 PRO N N -2.320 7.347 -6.649 1.00 . A A . 45 PRO N 1 1 12 8811 1 1 45 PRO O O -3.432 5.079 -5.555 1.00 . A A . 45 PRO O 1 1 12 8812 1 1 46 LYS C C -5.074 4.130 -3.484 1.00 . A A . 46 LYS C 1 1 12 8813 1 1 46 LYS CA C -3.893 4.844 -2.824 1.00 . A A . 46 LYS CA 1 1 12 8814 1 1 46 LYS CB C -4.096 5.119 -1.333 1.00 . A A . 46 LYS CB 1 1 12 8815 1 1 46 LYS CD C -6.359 4.563 -0.369 1.00 . A A . 46 LYS CD 1 1 12 8816 1 1 46 LYS CE C -7.240 5.178 0.720 1.00 . A A . 46 LYS CE 1 1 12 8817 1 1 46 LYS CG C -5.510 5.633 -1.057 1.00 . A A . 46 LYS CG 1 1 12 8818 1 1 46 LYS H H -3.603 6.902 -2.966 1.00 . A A . 46 LYS H 1 1 12 8819 1 1 46 LYS HA H -3.010 4.211 -2.918 1.00 . A A . 46 LYS HA 1 1 12 8820 1 1 46 LYS HB2 H -3.920 4.206 -0.764 1.00 . A A . 46 LYS HB2 1 1 12 8821 1 1 46 LYS HB3 H -3.365 5.852 -0.992 1.00 . A A . 46 LYS HB3 1 1 12 8822 1 1 46 LYS HD2 H -6.984 4.059 -1.106 1.00 . A A . 46 LYS HD2 1 1 12 8823 1 1 46 LYS HD3 H -5.709 3.805 0.069 1.00 . A A . 46 LYS HD3 1 1 12 8824 1 1 46 LYS HE2 H -7.837 4.400 1.196 1.00 . A A . 46 LYS HE2 1 1 12 8825 1 1 46 LYS HE3 H -6.615 5.619 1.496 1.00 . A A . 46 LYS HE3 1 1 12 8826 1 1 46 LYS HG2 H -5.461 6.523 -0.429 1.00 . A A . 46 LYS HG2 1 1 12 8827 1 1 46 LYS HG3 H -5.982 5.930 -1.994 1.00 . A A . 46 LYS HG3 1 1 12 8828 1 1 46 LYS HZ1 H -7.696 6.694 -0.635 1.00 . A A . 46 LYS HZ1 1 1 12 8829 1 1 46 LYS HZ3 H -8.379 6.920 0.826 1.00 . A A . 46 LYS HZ3 1 1 12 8830 1 1 46 LYS N N -3.620 6.081 -3.537 1.00 . A A . 46 LYS N 1 1 12 8831 1 1 46 LYS NZ N -8.129 6.212 0.144 1.00 . A A . 46 LYS NZ 1 1 12 8832 1 1 46 LYS O O -5.280 2.936 -3.272 1.00 . A A . 46 LYS O 1 1 12 8833 1 1 47 SER C C -6.519 3.443 -6.111 1.00 . A A . 47 SER C 1 1 12 8834 1 1 47 SER CA C -6.975 4.347 -4.964 1.00 . A A . 47 SER CA 1 1 12 8835 1 1 47 SER CB C -7.876 5.464 -5.495 1.00 . A A . 47 SER CB 1 1 12 8836 1 1 47 SER H H -5.646 5.862 -4.439 1.00 . A A . 47 SER H 1 1 12 8837 1 1 47 SER HA H -7.516 3.770 -4.214 1.00 . A A . 47 SER HA 1 1 12 8838 1 1 47 SER HB2 H -7.475 6.430 -5.189 1.00 . A A . 47 SER HB2 1 1 12 8839 1 1 47 SER HB3 H -7.871 5.447 -6.584 1.00 . A A . 47 SER HB3 1 1 12 8840 1 1 47 SER HG H -9.703 4.648 -5.562 1.00 . A A . 47 SER HG 1 1 12 8841 1 1 47 SER N N -5.820 4.892 -4.272 1.00 . A A . 47 SER N 1 1 12 8842 1 1 47 SER O O -7.327 2.725 -6.699 1.00 . A A . 47 SER O 1 1 12 8843 1 1 47 SER OG O -9.216 5.337 -5.025 1.00 . A A . 47 SER OG 1 1 12 8844 1 1 48 GLU C C -3.862 1.532 -6.876 1.00 . A A . 48 GLU C 1 1 12 8845 1 1 48 GLU CA C -4.654 2.703 -7.461 1.00 . A A . 48 GLU CA 1 1 12 8846 1 1 48 GLU CB C -3.775 3.556 -8.379 1.00 . A A . 48 GLU CB 1 1 12 8847 1 1 48 GLU CD C -3.876 5.252 -10.243 1.00 . A A . 48 GLU CD 1 1 12 8848 1 1 48 GLU CG C -4.579 4.699 -9.001 1.00 . A A . 48 GLU CG 1 1 12 8849 1 1 48 GLU H H -4.577 4.094 -5.912 1.00 . A A . 48 GLU H 1 1 12 8850 1 1 48 GLU HA H -5.505 2.327 -8.030 1.00 . A A . 48 GLU HA 1 1 12 8851 1 1 48 GLU HB2 H -2.937 3.961 -7.812 1.00 . A A . 48 GLU HB2 1 1 12 8852 1 1 48 GLU HB3 H -3.354 2.932 -9.168 1.00 . A A . 48 GLU HB3 1 1 12 8853 1 1 48 GLU HE2 H -4.566 6.074 -11.790 1.00 . A A . 48 GLU HE2 1 1 12 8854 1 1 48 GLU HG2 H -5.574 4.345 -9.269 1.00 . A A . 48 GLU HG2 1 1 12 8855 1 1 48 GLU HG3 H -4.711 5.496 -8.269 1.00 . A A . 48 GLU HG3 1 1 12 8856 1 1 48 GLU N N -5.227 3.507 -6.395 1.00 . A A . 48 GLU N 1 1 12 8857 1 1 48 GLU O O -2.840 1.130 -7.431 1.00 . A A . 48 GLU O 1 1 12 8858 1 1 48 GLU OE1 O -2.815 4.743 -10.632 1.00 . A A . 48 GLU OE1 1 1 12 8859 1 1 48 GLU OE2 O -4.472 6.246 -10.809 1.00 . A A . 48 GLU OE2 1 1 12 8860 1 1 49 PHE C C -4.614 -1.336 -5.100 1.00 . A A . 49 PHE C 1 1 12 8861 1 1 49 PHE CA C -3.715 -0.098 -5.096 1.00 . A A . 49 PHE CA 1 1 12 8862 1 1 49 PHE CB C -3.462 0.330 -3.649 1.00 . A A . 49 PHE CB 1 1 12 8863 1 1 49 PHE CD1 C -1.588 1.990 -3.618 1.00 . A A . 49 PHE CD1 1 1 12 8864 1 1 49 PHE CD2 C -1.148 -0.191 -2.846 1.00 . A A . 49 PHE CD2 1 1 12 8865 1 1 49 PHE CE1 C -0.243 2.357 -3.350 1.00 . A A . 49 PHE CE1 1 1 12 8866 1 1 49 PHE CE2 C 0.197 0.175 -2.578 1.00 . A A . 49 PHE CE2 1 1 12 8867 1 1 49 PHE CG C -2.013 0.724 -3.361 1.00 . A A . 49 PHE CG 1 1 12 8868 1 1 49 PHE CZ C 0.622 1.441 -2.836 1.00 . A A . 49 PHE CZ 1 1 12 8869 1 1 49 PHE H H -5.194 1.351 -5.318 1.00 . A A . 49 PHE H 1 1 12 8870 1 1 49 PHE HA H -2.799 -0.315 -5.645 1.00 . A A . 49 PHE HA 1 1 12 8871 1 1 49 PHE HB2 H -4.112 1.172 -3.412 1.00 . A A . 49 PHE HB2 1 1 12 8872 1 1 49 PHE HB3 H -3.745 -0.487 -2.985 1.00 . A A . 49 PHE HB3 1 1 12 8873 1 1 49 PHE HD1 H -2.281 2.724 -4.030 1.00 . A A . 49 PHE HD1 1 1 12 8874 1 1 49 PHE HD2 H -1.488 -1.206 -2.640 1.00 . A A . 49 PHE HD2 1 1 12 8875 1 1 49 PHE HE1 H 0.097 3.371 -3.557 1.00 . A A . 49 PHE HE1 1 1 12 8876 1 1 49 PHE HE2 H 0.890 -0.559 -2.166 1.00 . A A . 49 PHE HE2 1 1 12 8877 1 1 49 PHE HZ H 1.655 1.722 -2.631 1.00 . A A . 49 PHE HZ 1 1 12 8878 1 1 49 PHE N N -4.363 1.018 -5.763 1.00 . A A . 49 PHE N 1 1 12 8879 1 1 49 PHE O O -5.811 -1.239 -4.835 1.00 . A A . 49 PHE O 1 1 12 8880 1 1 50 GLU C C -3.991 -4.800 -4.645 1.00 . A A . 50 GLU C 1 1 12 8881 1 1 50 GLU CA C -4.733 -3.727 -5.445 1.00 . A A . 50 GLU CA 1 1 12 8882 1 1 50 GLU CB C -4.963 -4.180 -6.889 1.00 . A A . 50 GLU CB 1 1 12 8883 1 1 50 GLU CD C -3.886 -5.110 -8.971 1.00 . A A . 50 GLU CD 1 1 12 8884 1 1 50 GLU CG C -3.663 -4.687 -7.517 1.00 . A A . 50 GLU CG 1 1 12 8885 1 1 50 GLU H H -3.028 -2.542 -5.618 1.00 . A A . 50 GLU H 1 1 12 8886 1 1 50 GLU HA H -5.696 -3.518 -4.979 1.00 . A A . 50 GLU HA 1 1 12 8887 1 1 50 GLU HB2 H -5.714 -4.970 -6.911 1.00 . A A . 50 GLU HB2 1 1 12 8888 1 1 50 GLU HB3 H -5.355 -3.350 -7.476 1.00 . A A . 50 GLU HB3 1 1 12 8889 1 1 50 GLU HE2 H -3.866 -6.881 -9.612 1.00 . A A . 50 GLU HE2 1 1 12 8890 1 1 50 GLU HG2 H -2.905 -3.905 -7.475 1.00 . A A . 50 GLU HG2 1 1 12 8891 1 1 50 GLU HG3 H -3.282 -5.531 -6.943 1.00 . A A . 50 GLU HG3 1 1 12 8892 1 1 50 GLU N N -4.003 -2.472 -5.404 1.00 . A A . 50 GLU N 1 1 12 8893 1 1 50 GLU O O -2.791 -4.681 -4.405 1.00 . A A . 50 GLU O 1 1 12 8894 1 1 50 GLU OE1 O -3.513 -4.373 -9.895 1.00 . A A . 50 GLU OE1 1 1 12 8895 1 1 50 GLU OE2 O -4.469 -6.251 -9.123 1.00 . A A . 50 GLU OE2 1 1 12 8896 1 1 51 ALA C C -3.559 -7.944 -4.445 1.00 . A A . 51 ALA C 1 1 12 8897 1 1 51 ALA CA C -4.165 -6.916 -3.487 1.00 . A A . 51 ALA CA 1 1 12 8898 1 1 51 ALA CB C -5.241 -7.523 -2.584 1.00 . A A . 51 ALA CB 1 1 12 8899 1 1 51 ALA H H -5.713 -5.912 -4.455 1.00 . A A . 51 ALA H 1 1 12 8900 1 1 51 ALA HA H -3.373 -6.503 -2.862 1.00 . A A . 51 ALA HA 1 1 12 8901 1 1 51 ALA HB1 H -5.173 -8.610 -2.619 1.00 . A A . 51 ALA HB1 1 1 12 8902 1 1 51 ALA HB2 H -5.090 -7.182 -1.560 1.00 . A A . 51 ALA HB2 1 1 12 8903 1 1 51 ALA HB3 H -6.225 -7.209 -2.930 1.00 . A A . 51 ALA HB3 1 1 12 8904 1 1 51 ALA N N -4.737 -5.823 -4.255 1.00 . A A . 51 ALA N 1 1 12 8905 1 1 51 ALA O O -4.258 -8.491 -5.297 1.00 . A A . 51 ALA O 1 1 12 8906 1 1 52 ALA C C -1.377 -10.440 -4.344 1.00 . A A . 52 ALA C 1 1 12 8907 1 1 52 ALA CA C -1.559 -9.128 -5.111 1.00 . A A . 52 ALA CA 1 1 12 8908 1 1 52 ALA CB C -0.225 -8.525 -5.557 1.00 . A A . 52 ALA CB 1 1 12 8909 1 1 52 ALA H H -1.705 -7.726 -3.577 1.00 . A A . 52 ALA H 1 1 12 8910 1 1 52 ALA HA H -2.172 -9.315 -5.993 1.00 . A A . 52 ALA HA 1 1 12 8911 1 1 52 ALA HB1 H 0.494 -9.324 -5.733 1.00 . A A . 52 ALA HB1 1 1 12 8912 1 1 52 ALA HB2 H -0.373 -7.959 -6.477 1.00 . A A . 52 ALA HB2 1 1 12 8913 1 1 52 ALA HB3 H 0.152 -7.861 -4.778 1.00 . A A . 52 ALA HB3 1 1 12 8914 1 1 52 ALA N N -2.266 -8.176 -4.273 1.00 . A A . 52 ALA N 1 1 12 8915 1 1 52 ALA O O -2.334 -10.973 -3.783 1.00 . A A . 52 ALA O 1 1 12 8916 2 2 1 NI NI NI 3.846 2.958 -7.248 1.00 . B A . 53 NI NI 1 1 13 8917 1 1 1 MET C C -6.075 -7.642 3.108 1.00 . A A . 1 MET C 1 1 13 8918 1 1 1 MET CA C -7.317 -7.819 2.232 1.00 . A A . 1 MET CA 1 1 13 8919 1 1 1 MET CB C -8.552 -7.336 2.994 1.00 . A A . 1 MET CB 1 1 13 8920 1 1 1 MET CE C -11.346 -5.837 0.347 1.00 . A A . 1 MET CE 1 1 13 8921 1 1 1 MET CG C -9.359 -6.342 2.156 1.00 . A A . 1 MET CG 1 1 13 8922 1 1 1 MET H1 H -8.354 -9.624 2.155 1.00 . A A . 1 MET H1 1 1 13 8923 1 1 1 MET HA H -7.190 -7.276 1.296 1.00 . A A . 1 MET HA 1 1 13 8924 1 1 1 MET HB2 H -9.179 -8.188 3.257 1.00 . A A . 1 MET HB2 1 1 13 8925 1 1 1 MET HB3 H -8.247 -6.865 3.929 1.00 . A A . 1 MET HB3 1 1 13 8926 1 1 1 MET HE1 H -12.262 -5.609 0.893 1.00 . A A . 1 MET HE1 1 1 13 8927 1 1 1 MET HE2 H -10.690 -4.968 0.358 1.00 . A A . 1 MET HE2 1 1 13 8928 1 1 1 MET HE3 H -11.593 -6.093 -0.684 1.00 . A A . 1 MET HE3 1 1 13 8929 1 1 1 MET HG2 H -9.891 -5.650 2.810 1.00 . A A . 1 MET HG2 1 1 13 8930 1 1 1 MET HG3 H -8.688 -5.745 1.539 1.00 . A A . 1 MET HG3 1 1 13 8931 1 1 1 MET N N -7.494 -9.211 1.855 1.00 . A A . 1 MET N 1 1 13 8932 1 1 1 MET O O -6.186 -7.322 4.291 1.00 . A A . 1 MET O 1 1 13 8933 1 1 1 MET SD S -10.520 -7.217 1.121 1.00 . A A . 1 MET SD 1 1 13 8934 1 1 2 LYS C C -2.505 -7.826 2.204 1.00 . A A . 2 LYS C 1 1 13 8935 1 1 2 LYS CA C -3.660 -7.726 3.203 1.00 . A A . 2 LYS CA 1 1 13 8936 1 1 2 LYS CB C -3.577 -8.745 4.342 1.00 . A A . 2 LYS CB 1 1 13 8937 1 1 2 LYS CD C -4.424 -11.119 4.386 1.00 . A A . 2 LYS CD 1 1 13 8938 1 1 2 LYS CE C -4.083 -12.572 4.049 1.00 . A A . 2 LYS CE 1 1 13 8939 1 1 2 LYS CG C -3.385 -10.162 3.798 1.00 . A A . 2 LYS CG 1 1 13 8940 1 1 2 LYS H H -4.840 -8.118 1.532 1.00 . A A . 2 LYS H 1 1 13 8941 1 1 2 LYS HA H -3.641 -6.735 3.655 1.00 . A A . 2 LYS HA 1 1 13 8942 1 1 2 LYS HB2 H -2.748 -8.490 5.003 1.00 . A A . 2 LYS HB2 1 1 13 8943 1 1 2 LYS HB3 H -4.486 -8.701 4.941 1.00 . A A . 2 LYS HB3 1 1 13 8944 1 1 2 LYS HD2 H -4.469 -10.994 5.468 1.00 . A A . 2 LYS HD2 1 1 13 8945 1 1 2 LYS HD3 H -5.412 -10.874 3.996 1.00 . A A . 2 LYS HD3 1 1 13 8946 1 1 2 LYS HE2 H -5.000 -13.150 3.934 1.00 . A A . 2 LYS HE2 1 1 13 8947 1 1 2 LYS HE3 H -3.556 -12.617 3.096 1.00 . A A . 2 LYS HE3 1 1 13 8948 1 1 2 LYS HG2 H -3.468 -10.152 2.712 1.00 . A A . 2 LYS HG2 1 1 13 8949 1 1 2 LYS HG3 H -2.383 -10.515 4.038 1.00 . A A . 2 LYS HG3 1 1 13 8950 1 1 2 LYS HZ1 H -2.285 -12.844 5.068 1.00 . A A . 2 LYS HZ1 1 1 13 8951 1 1 2 LYS HZ3 H -3.217 -14.180 5.054 1.00 . A A . 2 LYS HZ3 1 1 13 8952 1 1 2 LYS N N -4.921 -7.858 2.494 1.00 . A A . 2 LYS N 1 1 13 8953 1 1 2 LYS NZ N -3.245 -13.168 5.114 1.00 . A A . 2 LYS NZ 1 1 13 8954 1 1 2 LYS O O -2.648 -8.432 1.144 1.00 . A A . 2 LYS O 1 1 13 8955 1 1 3 LYS C C -0.630 -6.997 0.277 1.00 . A A . 3 LYS C 1 1 13 8956 1 1 3 LYS CA C -0.209 -7.234 1.729 1.00 . A A . 3 LYS CA 1 1 13 8957 1 1 3 LYS CB C 0.587 -8.525 1.935 1.00 . A A . 3 LYS CB 1 1 13 8958 1 1 3 LYS CD C 2.597 -8.091 3.395 1.00 . A A . 3 LYS CD 1 1 13 8959 1 1 3 LYS CE C 3.576 -9.189 2.976 1.00 . A A . 3 LYS CE 1 1 13 8960 1 1 3 LYS CG C 1.154 -8.598 3.354 1.00 . A A . 3 LYS CG 1 1 13 8961 1 1 3 LYS H H -1.279 -6.730 3.443 1.00 . A A . 3 LYS H 1 1 13 8962 1 1 3 LYS HA H 0.430 -6.408 2.043 1.00 . A A . 3 LYS HA 1 1 13 8963 1 1 3 LYS HB2 H -0.055 -9.386 1.751 1.00 . A A . 3 LYS HB2 1 1 13 8964 1 1 3 LYS HB3 H 1.400 -8.574 1.211 1.00 . A A . 3 LYS HB3 1 1 13 8965 1 1 3 LYS HD2 H 2.703 -7.232 2.732 1.00 . A A . 3 LYS HD2 1 1 13 8966 1 1 3 LYS HD3 H 2.838 -7.748 4.401 1.00 . A A . 3 LYS HD3 1 1 13 8967 1 1 3 LYS HE2 H 3.571 -9.990 3.715 1.00 . A A . 3 LYS HE2 1 1 13 8968 1 1 3 LYS HE3 H 3.259 -9.626 2.029 1.00 . A A . 3 LYS HE3 1 1 13 8969 1 1 3 LYS HG2 H 0.537 -8.003 4.028 1.00 . A A . 3 LYS HG2 1 1 13 8970 1 1 3 LYS HG3 H 1.116 -9.627 3.712 1.00 . A A . 3 LYS HG3 1 1 13 8971 1 1 3 LYS HZ1 H 4.990 -7.898 2.152 1.00 . A A . 3 LYS HZ1 1 1 13 8972 1 1 3 LYS HZ3 H 5.611 -9.348 2.555 1.00 . A A . 3 LYS HZ3 1 1 13 8973 1 1 3 LYS N N -1.387 -7.221 2.579 1.00 . A A . 3 LYS N 1 1 13 8974 1 1 3 LYS NZ N 4.944 -8.640 2.842 1.00 . A A . 3 LYS NZ 1 1 13 8975 1 1 3 LYS O O -0.931 -7.943 -0.449 1.00 . A A . 3 LYS O 1 1 13 8976 1 1 4 TYR C C 0.194 -4.850 -2.245 1.00 . A A . 4 TYR C 1 1 13 8977 1 1 4 TYR CA C -1.016 -5.354 -1.455 1.00 . A A . 4 TYR CA 1 1 13 8978 1 1 4 TYR CB C -2.026 -4.213 -1.310 1.00 . A A . 4 TYR CB 1 1 13 8979 1 1 4 TYR CD1 C -2.042 -3.506 1.110 1.00 . A A . 4 TYR CD1 1 1 13 8980 1 1 4 TYR CD2 C -3.929 -4.707 0.268 1.00 . A A . 4 TYR CD2 1 1 13 8981 1 1 4 TYR CE1 C -2.664 -3.436 2.406 1.00 . A A . 4 TYR CE1 1 1 13 8982 1 1 4 TYR CE2 C -4.552 -4.637 1.564 1.00 . A A . 4 TYR CE2 1 1 13 8983 1 1 4 TYR CG C -2.687 -4.140 0.067 1.00 . A A . 4 TYR CG 1 1 13 8984 1 1 4 TYR CZ C -3.889 -4.005 2.570 1.00 . A A . 4 TYR CZ 1 1 13 8985 1 1 4 TYR H H -0.391 -4.963 0.493 1.00 . A A . 4 TYR H 1 1 13 8986 1 1 4 TYR HA H -1.420 -6.238 -1.948 1.00 . A A . 4 TYR HA 1 1 13 8987 1 1 4 TYR HB2 H -1.522 -3.268 -1.511 1.00 . A A . 4 TYR HB2 1 1 13 8988 1 1 4 TYR HB3 H -2.801 -4.329 -2.068 1.00 . A A . 4 TYR HB3 1 1 13 8989 1 1 4 TYR HD1 H -1.061 -3.058 0.951 1.00 . A A . 4 TYR HD1 1 1 13 8990 1 1 4 TYR HD2 H -4.439 -5.207 -0.555 1.00 . A A . 4 TYR HD2 1 1 13 8991 1 1 4 TYR HE1 H -2.166 -2.939 3.238 1.00 . A A . 4 TYR HE1 1 1 13 8992 1 1 4 TYR HE2 H -5.533 -5.081 1.736 1.00 . A A . 4 TYR HE2 1 1 13 8993 1 1 4 TYR HH H -5.328 -4.463 3.793 1.00 . A A . 4 TYR HH 1 1 13 8994 1 1 4 TYR N N -0.637 -5.727 -0.103 1.00 . A A . 4 TYR N 1 1 13 8995 1 1 4 TYR O O 1.321 -4.893 -1.754 1.00 . A A . 4 TYR O 1 1 13 8996 1 1 4 TYR OH O -4.477 -3.940 3.794 1.00 . A A . 4 TYR OH 1 1 13 8997 1 1 5 VAL C C 0.421 -2.717 -5.155 1.00 . A A . 5 VAL C 1 1 13 8998 1 1 5 VAL CA C 0.971 -3.871 -4.316 1.00 . A A . 5 VAL CA 1 1 13 8999 1 1 5 VAL CB C 1.549 -5.005 -5.165 1.00 . A A . 5 VAL CB 1 1 13 9000 1 1 5 VAL CG1 C 0.648 -5.306 -6.364 1.00 . A A . 5 VAL CG1 1 1 13 9001 1 1 5 VAL CG2 C 2.974 -4.679 -5.618 1.00 . A A . 5 VAL CG2 1 1 13 9002 1 1 5 VAL H H -1.001 -4.351 -3.845 1.00 . A A . 5 VAL H 1 1 13 9003 1 1 5 VAL HA H 1.766 -3.491 -3.674 1.00 . A A . 5 VAL HA 1 1 13 9004 1 1 5 VAL HB H 1.592 -5.900 -4.545 1.00 . A A . 5 VAL HB 1 1 13 9005 1 1 5 VAL HG11 H 0.372 -6.361 -6.355 1.00 . A A . 5 VAL HG11 1 1 13 9006 1 1 5 VAL HG12 H -0.252 -4.694 -6.305 1.00 . A A . 5 VAL HG12 1 1 13 9007 1 1 5 VAL HG13 H 1.182 -5.078 -7.286 1.00 . A A . 5 VAL HG13 1 1 13 9008 1 1 5 VAL HG21 H 3.398 -5.542 -6.131 1.00 . A A . 5 VAL HG21 1 1 13 9009 1 1 5 VAL HG22 H 2.953 -3.827 -6.297 1.00 . A A . 5 VAL HG22 1 1 13 9010 1 1 5 VAL HG23 H 3.585 -4.437 -4.748 1.00 . A A . 5 VAL HG23 1 1 13 9011 1 1 5 VAL N N -0.081 -4.383 -3.454 1.00 . A A . 5 VAL N 1 1 13 9012 1 1 5 VAL O O -0.793 -2.545 -5.261 1.00 . A A . 5 VAL O 1 1 13 9013 1 1 6 CYS C C 0.788 -1.312 -7.995 1.00 . A A . 6 CYS C 1 1 13 9014 1 1 6 CYS CA C 0.961 -0.821 -6.556 1.00 . A A . 6 CYS CA 1 1 13 9015 1 1 6 CYS CB C 1.982 0.315 -6.460 1.00 . A A . 6 CYS CB 1 1 13 9016 1 1 6 CYS H H 2.324 -2.101 -5.639 1.00 . A A . 6 CYS H 1 1 13 9017 1 1 6 CYS HA H 0.018 -0.445 -6.159 1.00 . A A . 6 CYS HA 1 1 13 9018 1 1 6 CYS HB2 H 1.892 0.783 -5.480 1.00 . A A . 6 CYS HB2 1 1 13 9019 1 1 6 CYS HB3 H 2.984 -0.110 -6.520 1.00 . A A . 6 CYS HB3 1 1 13 9020 1 1 6 CYS N N 1.339 -1.955 -5.730 1.00 . A A . 6 CYS N 1 1 13 9021 1 1 6 CYS O O 1.536 -2.173 -8.455 1.00 . A A . 6 CYS O 1 1 13 9022 1 1 6 CYS SG S 1.815 1.608 -7.744 1.00 . A A . 6 CYS SG 1 1 13 9023 1 1 7 THR C C 0.084 -0.066 -11.001 1.00 . A A . 7 THR C 1 1 13 9024 1 1 7 THR CA C -0.485 -1.113 -10.042 1.00 . A A . 7 THR CA 1 1 13 9025 1 1 7 THR CB C -1.997 -1.306 -10.180 1.00 . A A . 7 THR CB 1 1 13 9026 1 1 7 THR CG2 C -2.619 -1.958 -8.944 1.00 . A A . 7 THR CG2 1 1 13 9027 1 1 7 THR H H -0.808 -0.044 -8.283 1.00 . A A . 7 THR H 1 1 13 9028 1 1 7 THR HA H 0.023 -2.053 -10.256 1.00 . A A . 7 THR HA 1 1 13 9029 1 1 7 THR HB H -2.236 -1.871 -11.081 1.00 . A A . 7 THR HB 1 1 13 9030 1 1 7 THR HG1 H -2.436 0.415 -9.258 1.00 . A A . 7 THR HG1 1 1 13 9031 1 1 7 THR HG21 H -2.694 -1.221 -8.144 1.00 . A A . 7 THR HG21 1 1 13 9032 1 1 7 THR HG22 H -3.614 -2.329 -9.191 1.00 . A A . 7 THR HG22 1 1 13 9033 1 1 7 THR HG23 H -1.993 -2.788 -8.616 1.00 . A A . 7 THR HG23 1 1 13 9034 1 1 7 THR N N -0.204 -0.743 -8.665 1.00 . A A . 7 THR N 1 1 13 9035 1 1 7 THR O O -0.550 0.278 -11.998 1.00 . A A . 7 THR O 1 1 13 9036 1 1 7 THR OG1 O -2.518 0.020 -10.173 1.00 . A A . 7 THR OG1 1 1 13 9037 1 1 8 VAL C C 3.441 1.141 -11.500 1.00 . A A . 8 VAL C 1 1 13 9038 1 1 8 VAL CA C 1.935 1.413 -11.487 1.00 . A A . 8 VAL CA 1 1 13 9039 1 1 8 VAL CB C 1.586 2.815 -10.985 1.00 . A A . 8 VAL CB 1 1 13 9040 1 1 8 VAL CG1 C 2.024 3.883 -11.989 1.00 . A A . 8 VAL CG1 1 1 13 9041 1 1 8 VAL CG2 C 0.091 2.931 -10.679 1.00 . A A . 8 VAL CG2 1 1 13 9042 1 1 8 VAL H H 1.783 0.127 -9.855 1.00 . A A . 8 VAL H 1 1 13 9043 1 1 8 VAL HA H 1.551 1.313 -12.502 1.00 . A A . 8 VAL HA 1 1 13 9044 1 1 8 VAL HB H 2.132 2.984 -10.057 1.00 . A A . 8 VAL HB 1 1 13 9045 1 1 8 VAL HG11 H 2.900 3.530 -12.535 1.00 . A A . 8 VAL HG11 1 1 13 9046 1 1 8 VAL HG12 H 1.213 4.076 -12.691 1.00 . A A . 8 VAL HG12 1 1 13 9047 1 1 8 VAL HG13 H 2.273 4.801 -11.458 1.00 . A A . 8 VAL HG13 1 1 13 9048 1 1 8 VAL HG21 H -0.121 2.461 -9.718 1.00 . A A . 8 VAL HG21 1 1 13 9049 1 1 8 VAL HG22 H -0.191 3.983 -10.638 1.00 . A A . 8 VAL HG22 1 1 13 9050 1 1 8 VAL HG23 H -0.480 2.432 -11.462 1.00 . A A . 8 VAL HG23 1 1 13 9051 1 1 8 VAL N N 1.274 0.412 -10.667 1.00 . A A . 8 VAL N 1 1 13 9052 1 1 8 VAL O O 4.070 1.164 -12.557 1.00 . A A . 8 VAL O 1 1 13 9053 1 1 9 CYS C C 5.556 -0.778 -9.559 1.00 . A A . 9 CYS C 1 1 13 9054 1 1 9 CYS CA C 5.395 0.613 -10.176 1.00 . A A . 9 CYS CA 1 1 13 9055 1 1 9 CYS CB C 6.103 1.689 -9.351 1.00 . A A . 9 CYS CB 1 1 13 9056 1 1 9 CYS H H 3.456 0.872 -9.460 1.00 . A A . 9 CYS H 1 1 13 9057 1 1 9 CYS HA H 5.818 0.642 -11.180 1.00 . A A . 9 CYS HA 1 1 13 9058 1 1 9 CYS HB2 H 7.174 1.626 -9.541 1.00 . A A . 9 CYS HB2 1 1 13 9059 1 1 9 CYS HB3 H 5.774 2.668 -9.699 1.00 . A A . 9 CYS HB3 1 1 13 9060 1 1 9 CYS N N 3.975 0.889 -10.314 1.00 . A A . 9 CYS N 1 1 13 9061 1 1 9 CYS O O 6.296 -1.610 -10.080 1.00 . A A . 9 CYS O 1 1 13 9062 1 1 9 CYS SG S 5.820 1.583 -7.546 1.00 . A A . 9 CYS SG 1 1 13 9063 1 1 10 GLY C C 5.669 -2.135 -6.444 1.00 . A A . 10 GLY C 1 1 13 9064 1 1 10 GLY CA C 4.905 -2.262 -7.763 1.00 . A A . 10 GLY CA 1 1 13 9065 1 1 10 GLY H H 4.250 -0.304 -8.040 1.00 . A A . 10 GLY H 1 1 13 9066 1 1 10 GLY HA2 H 3.894 -2.619 -7.570 1.00 . A A . 10 GLY HA2 1 1 13 9067 1 1 10 GLY HA3 H 5.389 -3.004 -8.398 1.00 . A A . 10 GLY HA3 1 1 13 9068 1 1 10 GLY N N 4.850 -0.987 -8.457 1.00 . A A . 10 GLY N 1 1 13 9069 1 1 10 GLY O O 6.844 -2.491 -6.365 1.00 . A A . 10 GLY O 1 1 13 9070 1 1 11 TYR C C 4.736 -2.145 -3.047 1.00 . A A . 11 TYR C 1 1 13 9071 1 1 11 TYR CA C 5.568 -1.449 -4.127 1.00 . A A . 11 TYR CA 1 1 13 9072 1 1 11 TYR CB C 5.566 0.058 -3.863 1.00 . A A . 11 TYR CB 1 1 13 9073 1 1 11 TYR CD1 C 7.078 -0.011 -1.847 1.00 . A A . 11 TYR CD1 1 1 13 9074 1 1 11 TYR CD2 C 5.041 1.230 -1.693 1.00 . A A . 11 TYR CD2 1 1 13 9075 1 1 11 TYR CE1 C 7.398 0.347 -0.489 1.00 . A A . 11 TYR CE1 1 1 13 9076 1 1 11 TYR CE2 C 5.361 1.587 -0.336 1.00 . A A . 11 TYR CE2 1 1 13 9077 1 1 11 TYR CG C 5.906 0.438 -2.421 1.00 . A A . 11 TYR CG 1 1 13 9078 1 1 11 TYR CZ C 6.524 1.128 0.199 1.00 . A A . 11 TYR CZ 1 1 13 9079 1 1 11 TYR H H 4.015 -1.340 -5.511 1.00 . A A . 11 TYR H 1 1 13 9080 1 1 11 TYR HA H 6.564 -1.891 -4.148 1.00 . A A . 11 TYR HA 1 1 13 9081 1 1 11 TYR HB2 H 6.283 0.534 -4.532 1.00 . A A . 11 TYR HB2 1 1 13 9082 1 1 11 TYR HB3 H 4.583 0.459 -4.112 1.00 . A A . 11 TYR HB3 1 1 13 9083 1 1 11 TYR HD1 H 7.762 -0.636 -2.421 1.00 . A A . 11 TYR HD1 1 1 13 9084 1 1 11 TYR HD2 H 4.115 1.584 -2.147 1.00 . A A . 11 TYR HD2 1 1 13 9085 1 1 11 TYR HE1 H 8.320 -0.001 -0.024 1.00 . A A . 11 TYR HE1 1 1 13 9086 1 1 11 TYR HE2 H 4.686 2.212 0.250 1.00 . A A . 11 TYR HE2 1 1 13 9087 1 1 11 TYR HH H 6.737 0.667 2.076 1.00 . A A . 11 TYR HH 1 1 13 9088 1 1 11 TYR N N 4.970 -1.627 -5.439 1.00 . A A . 11 TYR N 1 1 13 9089 1 1 11 TYR O O 3.795 -1.561 -2.512 1.00 . A A . 11 TYR O 1 1 13 9090 1 1 11 TYR OH O 6.826 1.466 1.482 1.00 . A A . 11 TYR OH 1 1 13 9091 1 1 12 GLU C C 4.413 -3.422 -0.413 1.00 . A A . 12 GLU C 1 1 13 9092 1 1 12 GLU CA C 4.415 -4.162 -1.752 1.00 . A A . 12 GLU CA 1 1 13 9093 1 1 12 GLU CB C 5.036 -5.553 -1.609 1.00 . A A . 12 GLU CB 1 1 13 9094 1 1 12 GLU CD C 7.232 -6.770 -1.374 1.00 . A A . 12 GLU CD 1 1 13 9095 1 1 12 GLU CG C 6.483 -5.461 -1.120 1.00 . A A . 12 GLU CG 1 1 13 9096 1 1 12 GLU H H 5.881 -3.848 -3.198 1.00 . A A . 12 GLU H 1 1 13 9097 1 1 12 GLU HA H 3.394 -4.263 -2.121 1.00 . A A . 12 GLU HA 1 1 13 9098 1 1 12 GLU HB2 H 4.449 -6.147 -0.908 1.00 . A A . 12 GLU HB2 1 1 13 9099 1 1 12 GLU HB3 H 5.005 -6.070 -2.568 1.00 . A A . 12 GLU HB3 1 1 13 9100 1 1 12 GLU HE2 H 8.843 -7.139 -2.278 1.00 . A A . 12 GLU HE2 1 1 13 9101 1 1 12 GLU HG2 H 6.991 -4.642 -1.629 1.00 . A A . 12 GLU HG2 1 1 13 9102 1 1 12 GLU HG3 H 6.496 -5.231 -0.055 1.00 . A A . 12 GLU HG3 1 1 13 9103 1 1 12 GLU N N 5.114 -3.381 -2.758 1.00 . A A . 12 GLU N 1 1 13 9104 1 1 12 GLU O O 5.472 -3.114 0.132 1.00 . A A . 12 GLU O 1 1 13 9105 1 1 12 GLU OE1 O 7.148 -7.701 -0.560 1.00 . A A . 12 GLU OE1 1 1 13 9106 1 1 12 GLU OE2 O 7.921 -6.801 -2.465 1.00 . A A . 12 GLU OE2 1 1 13 9107 1 1 13 TYR C C 2.875 -3.450 2.498 1.00 . A A . 13 TYR C 1 1 13 9108 1 1 13 TYR CA C 3.058 -2.461 1.344 1.00 . A A . 13 TYR CA 1 1 13 9109 1 1 13 TYR CB C 1.790 -1.615 1.208 1.00 . A A . 13 TYR CB 1 1 13 9110 1 1 13 TYR CD1 C 1.869 0.048 3.101 1.00 . A A . 13 TYR CD1 1 1 13 9111 1 1 13 TYR CD2 C 0.197 -1.659 3.163 1.00 . A A . 13 TYR CD2 1 1 13 9112 1 1 13 TYR CE1 C 1.379 0.573 4.349 1.00 . A A . 13 TYR CE1 1 1 13 9113 1 1 13 TYR CE2 C -0.293 -1.134 4.410 1.00 . A A . 13 TYR CE2 1 1 13 9114 1 1 13 TYR CG C 1.269 -1.057 2.534 1.00 . A A . 13 TYR CG 1 1 13 9115 1 1 13 TYR CZ C 0.322 -0.044 4.942 1.00 . A A . 13 TYR CZ 1 1 13 9116 1 1 13 TYR H H 2.355 -3.413 -0.370 1.00 . A A . 13 TYR H 1 1 13 9117 1 1 13 TYR HA H 3.960 -1.875 1.517 1.00 . A A . 13 TYR HA 1 1 13 9118 1 1 13 TYR HB2 H 1.990 -0.786 0.530 1.00 . A A . 13 TYR HB2 1 1 13 9119 1 1 13 TYR HB3 H 1.009 -2.221 0.749 1.00 . A A . 13 TYR HB3 1 1 13 9120 1 1 13 TYR HD1 H 2.715 0.523 2.605 1.00 . A A . 13 TYR HD1 1 1 13 9121 1 1 13 TYR HD2 H -0.277 -2.532 2.714 1.00 . A A . 13 TYR HD2 1 1 13 9122 1 1 13 TYR HE1 H 1.844 1.446 4.808 1.00 . A A . 13 TYR HE1 1 1 13 9123 1 1 13 TYR HE2 H -1.138 -1.600 4.917 1.00 . A A . 13 TYR HE2 1 1 13 9124 1 1 13 TYR HH H 0.095 -0.167 6.869 1.00 . A A . 13 TYR HH 1 1 13 9125 1 1 13 TYR N N 3.212 -3.159 0.079 1.00 . A A . 13 TYR N 1 1 13 9126 1 1 13 TYR O O 2.252 -4.497 2.329 1.00 . A A . 13 TYR O 1 1 13 9127 1 1 13 TYR OH O -0.142 0.452 6.121 1.00 . A A . 13 TYR OH 1 1 13 9128 1 1 14 ASP C C 2.450 -3.238 5.865 1.00 . A A . 14 ASP C 1 1 13 9129 1 1 14 ASP CA C 3.337 -3.924 4.824 1.00 . A A . 14 ASP CA 1 1 13 9130 1 1 14 ASP CB C 4.714 -4.149 5.451 1.00 . A A . 14 ASP CB 1 1 13 9131 1 1 14 ASP CG C 5.068 -5.612 5.725 1.00 . A A . 14 ASP CG 1 1 13 9132 1 1 14 ASP H H 3.935 -2.229 3.772 1.00 . A A . 14 ASP H 1 1 13 9133 1 1 14 ASP HA H 2.915 -4.865 4.472 1.00 . A A . 14 ASP HA 1 1 13 9134 1 1 14 ASP HB2 H 5.471 -3.726 4.790 1.00 . A A . 14 ASP HB2 1 1 13 9135 1 1 14 ASP HB3 H 4.765 -3.596 6.389 1.00 . A A . 14 ASP HB3 1 1 13 9136 1 1 14 ASP HD2 H 6.913 -5.944 5.538 1.00 . A A . 14 ASP HD2 1 1 13 9137 1 1 14 ASP N N 3.430 -3.082 3.643 1.00 . A A . 14 ASP N 1 1 13 9138 1 1 14 ASP O O 2.852 -2.246 6.471 1.00 . A A . 14 ASP O 1 1 13 9139 1 1 14 ASP OD1 O 4.432 -6.278 6.555 1.00 . A A . 14 ASP OD1 1 1 13 9140 1 1 14 ASP OD2 O 6.057 -6.072 5.037 1.00 . A A . 14 ASP OD2 1 1 13 9141 1 1 15 PRO C C 0.693 -3.605 8.437 1.00 . A A . 15 PRO C 1 1 13 9142 1 1 15 PRO CA C 0.282 -3.262 7.004 1.00 . A A . 15 PRO CA 1 1 13 9143 1 1 15 PRO CB C -1.061 -3.857 6.612 1.00 . A A . 15 PRO CB 1 1 13 9144 1 1 15 PRO CD C 0.719 -4.984 5.347 1.00 . A A . 15 PRO CD 1 1 13 9145 1 1 15 PRO CG C -0.744 -5.068 5.749 1.00 . A A . 15 PRO CG 1 1 13 9146 1 1 15 PRO HA H 0.274 -2.264 6.953 1.00 . A A . 15 PRO HA 1 1 13 9147 1 1 15 PRO HB2 H -1.632 -4.145 7.495 1.00 . A A . 15 PRO HB2 1 1 13 9148 1 1 15 PRO HB3 H -1.664 -3.133 6.064 1.00 . A A . 15 PRO HB3 1 1 13 9149 1 1 15 PRO HD2 H 1.262 -5.884 5.636 1.00 . A A . 15 PRO HD2 1 1 13 9150 1 1 15 PRO HD3 H 0.827 -4.880 4.267 1.00 . A A . 15 PRO HD3 1 1 13 9151 1 1 15 PRO HG2 H -0.937 -5.989 6.298 1.00 . A A . 15 PRO HG2 1 1 13 9152 1 1 15 PRO HG3 H -1.383 -5.084 4.866 1.00 . A A . 15 PRO HG3 1 1 13 9153 1 1 15 PRO N N 1.229 -3.808 6.046 1.00 . A A . 15 PRO N 1 1 13 9154 1 1 15 PRO O O 0.448 -2.829 9.359 1.00 . A A . 15 PRO O 1 1 13 9155 1 1 16 ALA C C 2.969 -4.396 10.322 1.00 . A A . 16 ALA C 1 1 13 9156 1 1 16 ALA CA C 1.758 -5.223 9.885 1.00 . A A . 16 ALA CA 1 1 13 9157 1 1 16 ALA CB C 2.065 -6.721 9.826 1.00 . A A . 16 ALA CB 1 1 13 9158 1 1 16 ALA H H 1.506 -5.394 7.824 1.00 . A A . 16 ALA H 1 1 13 9159 1 1 16 ALA HA H 0.943 -5.060 10.591 1.00 . A A . 16 ALA HA 1 1 13 9160 1 1 16 ALA HB1 H 1.141 -7.275 9.662 1.00 . A A . 16 ALA HB1 1 1 13 9161 1 1 16 ALA HB2 H 2.757 -6.918 9.008 1.00 . A A . 16 ALA HB2 1 1 13 9162 1 1 16 ALA HB3 H 2.516 -7.037 10.767 1.00 . A A . 16 ALA HB3 1 1 13 9163 1 1 16 ALA N N 1.311 -4.768 8.580 1.00 . A A . 16 ALA N 1 1 13 9164 1 1 16 ALA O O 3.429 -4.514 11.456 1.00 . A A . 16 ALA O 1 1 13 9165 1 1 17 GLU C C 4.178 -1.262 9.713 1.00 . A A . 17 GLU C 1 1 13 9166 1 1 17 GLU CA C 4.599 -2.732 9.672 1.00 . A A . 17 GLU CA 1 1 13 9167 1 1 17 GLU CB C 5.706 -2.957 8.640 1.00 . A A . 17 GLU CB 1 1 13 9168 1 1 17 GLU CD C 7.264 -3.686 10.484 1.00 . A A . 17 GLU CD 1 1 13 9169 1 1 17 GLU CG C 7.088 -2.773 9.268 1.00 . A A . 17 GLU CG 1 1 13 9170 1 1 17 GLU H H 3.071 -3.489 8.477 1.00 . A A . 17 GLU H 1 1 13 9171 1 1 17 GLU HA H 4.959 -3.042 10.654 1.00 . A A . 17 GLU HA 1 1 13 9172 1 1 17 GLU HB2 H 5.622 -3.961 8.224 1.00 . A A . 17 GLU HB2 1 1 13 9173 1 1 17 GLU HB3 H 5.583 -2.259 7.812 1.00 . A A . 17 GLU HB3 1 1 13 9174 1 1 17 GLU HE2 H 6.956 -2.180 11.572 1.00 . A A . 17 GLU HE2 1 1 13 9175 1 1 17 GLU HG2 H 7.860 -2.992 8.530 1.00 . A A . 17 GLU HG2 1 1 13 9176 1 1 17 GLU HG3 H 7.220 -1.733 9.568 1.00 . A A . 17 GLU HG3 1 1 13 9177 1 1 17 GLU N N 3.451 -3.579 9.397 1.00 . A A . 17 GLU N 1 1 13 9178 1 1 17 GLU O O 4.416 -0.572 10.703 1.00 . A A . 17 GLU O 1 1 13 9179 1 1 17 GLU OE1 O 7.265 -4.917 10.339 1.00 . A A . 17 GLU OE1 1 1 13 9180 1 1 17 GLU OE2 O 7.404 -3.073 11.610 1.00 . A A . 17 GLU OE2 1 1 13 9181 1 1 18 GLY C C 3.813 1.280 7.383 1.00 . A A . 18 GLY C 1 1 13 9182 1 1 18 GLY CA C 3.102 0.549 8.524 1.00 . A A . 18 GLY CA 1 1 13 9183 1 1 18 GLY H H 3.369 -1.395 7.825 1.00 . A A . 18 GLY H 1 1 13 9184 1 1 18 GLY HA2 H 2.025 0.567 8.358 1.00 . A A . 18 GLY HA2 1 1 13 9185 1 1 18 GLY HA3 H 3.288 1.068 9.465 1.00 . A A . 18 GLY HA3 1 1 13 9186 1 1 18 GLY N N 3.559 -0.827 8.625 1.00 . A A . 18 GLY N 1 1 13 9187 1 1 18 GLY O O 3.945 0.743 6.285 1.00 . A A . 18 GLY O 1 1 13 9188 1 1 19 ASP C C 5.363 4.630 7.335 1.00 . A A . 19 ASP C 1 1 13 9189 1 1 19 ASP CA C 4.943 3.305 6.696 1.00 . A A . 19 ASP CA 1 1 13 9190 1 1 19 ASP CB C 4.035 3.620 5.506 1.00 . A A . 19 ASP CB 1 1 13 9191 1 1 19 ASP CG C 4.725 3.593 4.141 1.00 . A A . 19 ASP CG 1 1 13 9192 1 1 19 ASP H H 4.138 2.924 8.579 1.00 . A A . 19 ASP H 1 1 13 9193 1 1 19 ASP HA H 5.797 2.705 6.382 1.00 . A A . 19 ASP HA 1 1 13 9194 1 1 19 ASP HB2 H 3.213 2.904 5.496 1.00 . A A . 19 ASP HB2 1 1 13 9195 1 1 19 ASP HB3 H 3.596 4.607 5.655 1.00 . A A . 19 ASP HB3 1 1 13 9196 1 1 19 ASP HD2 H 5.290 1.797 4.163 1.00 . A A . 19 ASP HD2 1 1 13 9197 1 1 19 ASP N N 4.250 2.494 7.683 1.00 . A A . 19 ASP N 1 1 13 9198 1 1 19 ASP O O 4.520 5.390 7.808 1.00 . A A . 19 ASP O 1 1 13 9199 1 1 19 ASP OD1 O 5.185 4.629 3.637 1.00 . A A . 19 ASP OD1 1 1 13 9200 1 1 19 ASP OD2 O 4.782 2.432 3.582 1.00 . A A . 19 ASP OD2 1 1 13 9201 1 1 20 PRO C C 6.987 7.290 6.985 1.00 . A A . 20 PRO C 1 1 13 9202 1 1 20 PRO CA C 7.244 6.093 7.902 1.00 . A A . 20 PRO CA 1 1 13 9203 1 1 20 PRO CB C 8.722 5.808 8.107 1.00 . A A . 20 PRO CB 1 1 13 9204 1 1 20 PRO CD C 7.730 3.995 6.778 1.00 . A A . 20 PRO CD 1 1 13 9205 1 1 20 PRO CG C 9.045 4.618 7.219 1.00 . A A . 20 PRO CG 1 1 13 9206 1 1 20 PRO HA H 6.784 6.306 8.764 1.00 . A A . 20 PRO HA 1 1 13 9207 1 1 20 PRO HB2 H 9.328 6.673 7.837 1.00 . A A . 20 PRO HB2 1 1 13 9208 1 1 20 PRO HB3 H 8.936 5.584 9.153 1.00 . A A . 20 PRO HB3 1 1 13 9209 1 1 20 PRO HD2 H 7.663 3.939 5.692 1.00 . A A . 20 PRO HD2 1 1 13 9210 1 1 20 PRO HD3 H 7.627 2.978 7.157 1.00 . A A . 20 PRO HD3 1 1 13 9211 1 1 20 PRO HG2 H 9.627 4.934 6.353 1.00 . A A . 20 PRO HG2 1 1 13 9212 1 1 20 PRO HG3 H 9.650 3.890 7.760 1.00 . A A . 20 PRO HG3 1 1 13 9213 1 1 20 PRO N N 6.702 4.873 7.329 1.00 . A A . 20 PRO N 1 1 13 9214 1 1 20 PRO O O 6.723 8.394 7.458 1.00 . A A . 20 PRO O 1 1 13 9215 1 1 21 ASP C C 5.643 8.913 5.111 1.00 . A A . 21 ASP C 1 1 13 9216 1 1 21 ASP CA C 6.855 8.074 4.700 1.00 . A A . 21 ASP CA 1 1 13 9217 1 1 21 ASP CB C 6.570 7.476 3.322 1.00 . A A . 21 ASP CB 1 1 13 9218 1 1 21 ASP CG C 7.167 8.249 2.145 1.00 . A A . 21 ASP CG 1 1 13 9219 1 1 21 ASP H H 7.289 6.131 5.311 1.00 . A A . 21 ASP H 1 1 13 9220 1 1 21 ASP HA H 7.778 8.654 4.686 1.00 . A A . 21 ASP HA 1 1 13 9221 1 1 21 ASP HB2 H 6.953 6.455 3.299 1.00 . A A . 21 ASP HB2 1 1 13 9222 1 1 21 ASP HB3 H 5.490 7.413 3.185 1.00 . A A . 21 ASP HB3 1 1 13 9223 1 1 21 ASP HD2 H 8.780 7.393 2.605 1.00 . A A . 21 ASP HD2 1 1 13 9224 1 1 21 ASP N N 7.074 7.031 5.688 1.00 . A A . 21 ASP N 1 1 13 9225 1 1 21 ASP O O 5.717 10.140 5.147 1.00 . A A . 21 ASP O 1 1 13 9226 1 1 21 ASP OD1 O 6.457 8.970 1.427 1.00 . A A . 21 ASP OD1 1 1 13 9227 1 1 21 ASP OD2 O 8.436 8.088 1.974 1.00 . A A . 21 ASP OD2 1 1 13 9228 1 1 22 ASN C C 3.057 8.583 7.293 1.00 . A A . 22 ASN C 1 1 13 9229 1 1 22 ASN CA C 3.330 8.883 5.817 1.00 . A A . 22 ASN CA 1 1 13 9230 1 1 22 ASN CB C 2.135 8.381 5.004 1.00 . A A . 22 ASN CB 1 1 13 9231 1 1 22 ASN CG C 2.075 9.066 3.638 1.00 . A A . 22 ASN CG 1 1 13 9232 1 1 22 ASN H H 4.504 7.219 5.378 1.00 . A A . 22 ASN H 1 1 13 9233 1 1 22 ASN HA H 3.504 9.943 5.632 1.00 . A A . 22 ASN HA 1 1 13 9234 1 1 22 ASN HB2 H 2.208 7.302 4.871 1.00 . A A . 22 ASN HB2 1 1 13 9235 1 1 22 ASN HB3 H 1.212 8.572 5.552 1.00 . A A . 22 ASN HB3 1 1 13 9236 1 1 22 ASN HD21 H 3.631 7.914 3.045 1.00 . A A . 22 ASN HD21 1 1 13 9237 1 1 22 ASN HD22 H 3.028 9.016 1.852 1.00 . A A . 22 ASN HD22 1 1 13 9238 1 1 22 ASN N N 4.556 8.217 5.410 1.00 . A A . 22 ASN N 1 1 13 9239 1 1 22 ASN ND2 N 2.986 8.629 2.773 1.00 . A A . 22 ASN ND2 1 1 13 9240 1 1 22 ASN O O 1.907 8.413 7.693 1.00 . A A . 22 ASN O 1 1 13 9241 1 1 22 ASN OD1 O 1.255 9.933 3.385 1.00 . A A . 22 ASN OD1 1 1 13 9242 1 1 23 GLY C C 2.884 7.275 9.767 1.00 . A A . 23 GLY C 1 1 13 9243 1 1 23 GLY CA C 4.027 8.252 9.483 1.00 . A A . 23 GLY CA 1 1 13 9244 1 1 23 GLY H H 5.068 8.667 7.728 1.00 . A A . 23 GLY H 1 1 13 9245 1 1 23 GLY HA2 H 4.965 7.834 9.849 1.00 . A A . 23 GLY HA2 1 1 13 9246 1 1 23 GLY HA3 H 3.859 9.182 10.026 1.00 . A A . 23 GLY HA3 1 1 13 9247 1 1 23 GLY N N 4.135 8.528 8.061 1.00 . A A . 23 GLY N 1 1 13 9248 1 1 23 GLY O O 1.741 7.690 9.953 1.00 . A A . 23 GLY O 1 1 13 9249 1 1 24 VAL C C 2.824 3.954 11.048 1.00 . A A . 24 VAL C 1 1 13 9250 1 1 24 VAL CA C 2.248 4.958 10.048 1.00 . A A . 24 VAL CA 1 1 13 9251 1 1 24 VAL CB C 1.815 4.310 8.731 1.00 . A A . 24 VAL CB 1 1 13 9252 1 1 24 VAL CG1 C 1.146 2.957 8.981 1.00 . A A . 24 VAL CG1 1 1 13 9253 1 1 24 VAL CG2 C 0.894 5.240 7.939 1.00 . A A . 24 VAL CG2 1 1 13 9254 1 1 24 VAL H H 4.163 5.668 9.637 1.00 . A A . 24 VAL H 1 1 13 9255 1 1 24 VAL HA H 1.375 5.435 10.493 1.00 . A A . 24 VAL HA 1 1 13 9256 1 1 24 VAL HB H 2.710 4.136 8.133 1.00 . A A . 24 VAL HB 1 1 13 9257 1 1 24 VAL HG11 H 1.773 2.358 9.641 1.00 . A A . 24 VAL HG11 1 1 13 9258 1 1 24 VAL HG12 H 0.173 3.114 9.447 1.00 . A A . 24 VAL HG12 1 1 13 9259 1 1 24 VAL HG13 H 1.015 2.436 8.033 1.00 . A A . 24 VAL HG13 1 1 13 9260 1 1 24 VAL HG21 H 1.482 5.801 7.213 1.00 . A A . 24 VAL HG21 1 1 13 9261 1 1 24 VAL HG22 H 0.141 4.648 7.418 1.00 . A A . 24 VAL HG22 1 1 13 9262 1 1 24 VAL HG23 H 0.403 5.933 8.622 1.00 . A A . 24 VAL HG23 1 1 13 9263 1 1 24 VAL N N 3.232 5.997 9.790 1.00 . A A . 24 VAL N 1 1 13 9264 1 1 24 VAL O O 4.037 3.759 11.109 1.00 . A A . 24 VAL O 1 1 13 9265 1 1 25 LYS C C 2.081 0.956 12.256 1.00 . A A . 25 LYS C 1 1 13 9266 1 1 25 LYS CA C 2.330 2.363 12.802 1.00 . A A . 25 LYS CA 1 1 13 9267 1 1 25 LYS CB C 1.635 2.637 14.137 1.00 . A A . 25 LYS CB 1 1 13 9268 1 1 25 LYS CD C 1.702 4.397 15.942 1.00 . A A . 25 LYS CD 1 1 13 9269 1 1 25 LYS CE C 1.626 5.796 15.326 1.00 . A A . 25 LYS CE 1 1 13 9270 1 1 25 LYS CG C 2.533 3.457 15.065 1.00 . A A . 25 LYS CG 1 1 13 9271 1 1 25 LYS H H 0.942 3.507 11.751 1.00 . A A . 25 LYS H 1 1 13 9272 1 1 25 LYS HA H 3.401 2.486 12.965 1.00 . A A . 25 LYS HA 1 1 13 9273 1 1 25 LYS HB2 H 0.701 3.172 13.962 1.00 . A A . 25 LYS HB2 1 1 13 9274 1 1 25 LYS HB3 H 1.375 1.693 14.616 1.00 . A A . 25 LYS HB3 1 1 13 9275 1 1 25 LYS HD2 H 0.697 3.994 16.063 1.00 . A A . 25 LYS HD2 1 1 13 9276 1 1 25 LYS HD3 H 2.144 4.457 16.936 1.00 . A A . 25 LYS HD3 1 1 13 9277 1 1 25 LYS HE2 H 2.622 6.235 15.281 1.00 . A A . 25 LYS HE2 1 1 13 9278 1 1 25 LYS HE3 H 1.260 5.729 14.302 1.00 . A A . 25 LYS HE3 1 1 13 9279 1 1 25 LYS HG2 H 3.117 2.788 15.696 1.00 . A A . 25 LYS HG2 1 1 13 9280 1 1 25 LYS HG3 H 3.241 4.037 14.473 1.00 . A A . 25 LYS HG3 1 1 13 9281 1 1 25 LYS HZ1 H 0.161 6.131 16.771 1.00 . A A . 25 LYS HZ1 1 1 13 9282 1 1 25 LYS HZ3 H 0.093 7.192 15.537 1.00 . A A . 25 LYS HZ3 1 1 13 9283 1 1 25 LYS N N 1.927 3.343 11.807 1.00 . A A . 25 LYS N 1 1 13 9284 1 1 25 LYS NZ N 0.731 6.664 16.123 1.00 . A A . 25 LYS NZ 1 1 13 9285 1 1 25 LYS O O 1.355 0.785 11.277 1.00 . A A . 25 LYS O 1 1 13 9286 1 1 26 PRO C C 1.198 -1.978 12.925 1.00 . A A . 26 PRO C 1 1 13 9287 1 1 26 PRO CA C 2.568 -1.429 12.521 1.00 . A A . 26 PRO CA 1 1 13 9288 1 1 26 PRO CB C 3.721 -2.159 13.191 1.00 . A A . 26 PRO CB 1 1 13 9289 1 1 26 PRO CD C 3.581 0.123 14.092 1.00 . A A . 26 PRO CD 1 1 13 9290 1 1 26 PRO CG C 4.193 -1.251 14.314 1.00 . A A . 26 PRO CG 1 1 13 9291 1 1 26 PRO HA H 2.610 -1.504 11.525 1.00 . A A . 26 PRO HA 1 1 13 9292 1 1 26 PRO HB2 H 3.398 -3.125 13.579 1.00 . A A . 26 PRO HB2 1 1 13 9293 1 1 26 PRO HB3 H 4.525 -2.353 12.481 1.00 . A A . 26 PRO HB3 1 1 13 9294 1 1 26 PRO HD2 H 3.016 0.450 14.964 1.00 . A A . 26 PRO HD2 1 1 13 9295 1 1 26 PRO HD3 H 4.349 0.874 13.909 1.00 . A A . 26 PRO HD3 1 1 13 9296 1 1 26 PRO HG2 H 3.891 -1.651 15.282 1.00 . A A . 26 PRO HG2 1 1 13 9297 1 1 26 PRO HG3 H 5.281 -1.187 14.321 1.00 . A A . 26 PRO HG3 1 1 13 9298 1 1 26 PRO N N 2.714 -0.042 12.929 1.00 . A A . 26 PRO N 1 1 13 9299 1 1 26 PRO O O 0.610 -1.529 13.907 1.00 . A A . 26 PRO O 1 1 13 9300 1 1 27 GLY C C -1.686 -2.791 11.711 1.00 . A A . 27 GLY C 1 1 13 9301 1 1 27 GLY CA C -0.561 -3.557 12.410 1.00 . A A . 27 GLY CA 1 1 13 9302 1 1 27 GLY H H 1.213 -3.302 11.349 1.00 . A A . 27 GLY H 1 1 13 9303 1 1 27 GLY HA2 H -0.552 -4.591 12.066 1.00 . A A . 27 GLY HA2 1 1 13 9304 1 1 27 GLY HA3 H -0.744 -3.579 13.484 1.00 . A A . 27 GLY HA3 1 1 13 9305 1 1 27 GLY N N 0.729 -2.942 12.146 1.00 . A A . 27 GLY N 1 1 13 9306 1 1 27 GLY O O -2.814 -3.276 11.629 1.00 . A A . 27 GLY O 1 1 13 9307 1 1 28 THR C C -2.767 -1.441 9.240 1.00 . A A . 28 THR C 1 1 13 9308 1 1 28 THR CA C -2.309 -0.771 10.537 1.00 . A A . 28 THR CA 1 1 13 9309 1 1 28 THR CB C -1.674 0.604 10.318 1.00 . A A . 28 THR CB 1 1 13 9310 1 1 28 THR CG2 C -2.651 1.611 9.708 1.00 . A A . 28 THR CG2 1 1 13 9311 1 1 28 THR H H -0.422 -1.220 11.297 1.00 . A A . 28 THR H 1 1 13 9312 1 1 28 THR HA H -3.188 -0.668 11.172 1.00 . A A . 28 THR HA 1 1 13 9313 1 1 28 THR HB H -0.770 0.524 9.714 1.00 . A A . 28 THR HB 1 1 13 9314 1 1 28 THR HG1 H -0.739 1.801 11.621 1.00 . A A . 28 THR HG1 1 1 13 9315 1 1 28 THR HG21 H -3.545 1.671 10.329 1.00 . A A . 28 THR HG21 1 1 13 9316 1 1 28 THR HG22 H -2.178 2.591 9.656 1.00 . A A . 28 THR HG22 1 1 13 9317 1 1 28 THR HG23 H -2.927 1.287 8.705 1.00 . A A . 28 THR HG23 1 1 13 9318 1 1 28 THR N N -1.341 -1.608 11.226 1.00 . A A . 28 THR N 1 1 13 9319 1 1 28 THR O O -2.172 -2.425 8.802 1.00 . A A . 28 THR O 1 1 13 9320 1 1 28 THR OG1 O -1.447 1.095 11.636 1.00 . A A . 28 THR OG1 1 1 13 9321 1 1 29 SER C C -4.483 -0.300 6.383 1.00 . A A . 29 SER C 1 1 13 9322 1 1 29 SER CA C -4.365 -1.415 7.425 1.00 . A A . 29 SER CA 1 1 13 9323 1 1 29 SER CB C -5.728 -2.069 7.659 1.00 . A A . 29 SER CB 1 1 13 9324 1 1 29 SER H H -4.298 -0.083 9.025 1.00 . A A . 29 SER H 1 1 13 9325 1 1 29 SER HA H -3.651 -2.170 7.097 1.00 . A A . 29 SER HA 1 1 13 9326 1 1 29 SER HB2 H -5.597 -3.144 7.784 1.00 . A A . 29 SER HB2 1 1 13 9327 1 1 29 SER HB3 H -6.157 -1.690 8.587 1.00 . A A . 29 SER HB3 1 1 13 9328 1 1 29 SER HG H -6.937 -0.871 6.606 1.00 . A A . 29 SER HG 1 1 13 9329 1 1 29 SER N N -3.820 -0.883 8.662 1.00 . A A . 29 SER N 1 1 13 9330 1 1 29 SER O O -4.796 0.840 6.722 1.00 . A A . 29 SER O 1 1 13 9331 1 1 29 SER OG O -6.630 -1.822 6.584 1.00 . A A . 29 SER OG 1 1 13 9332 1 1 30 PHE C C -5.688 0.926 3.967 1.00 . A A . 30 PHE C 1 1 13 9333 1 1 30 PHE CA C -4.300 0.286 4.044 1.00 . A A . 30 PHE CA 1 1 13 9334 1 1 30 PHE CB C -4.037 -0.491 2.753 1.00 . A A . 30 PHE CB 1 1 13 9335 1 1 30 PHE CD1 C -4.474 1.061 0.836 1.00 . A A . 30 PHE CD1 1 1 13 9336 1 1 30 PHE CD2 C -2.240 0.474 1.301 1.00 . A A . 30 PHE CD2 1 1 13 9337 1 1 30 PHE CE1 C -4.036 1.869 -0.246 1.00 . A A . 30 PHE CE1 1 1 13 9338 1 1 30 PHE CE2 C -1.803 1.283 0.219 1.00 . A A . 30 PHE CE2 1 1 13 9339 1 1 30 PHE CG C -3.566 0.380 1.587 1.00 . A A . 30 PHE CG 1 1 13 9340 1 1 30 PHE CZ C -2.710 1.964 -0.532 1.00 . A A . 30 PHE CZ 1 1 13 9341 1 1 30 PHE H H -3.972 -1.598 4.870 1.00 . A A . 30 PHE H 1 1 13 9342 1 1 30 PHE HA H -3.556 1.059 4.239 1.00 . A A . 30 PHE HA 1 1 13 9343 1 1 30 PHE HB2 H -3.286 -1.257 2.948 1.00 . A A . 30 PHE HB2 1 1 13 9344 1 1 30 PHE HB3 H -4.951 -1.009 2.460 1.00 . A A . 30 PHE HB3 1 1 13 9345 1 1 30 PHE HD1 H -5.537 0.985 1.065 1.00 . A A . 30 PHE HD1 1 1 13 9346 1 1 30 PHE HD2 H -1.513 -0.071 1.902 1.00 . A A . 30 PHE HD2 1 1 13 9347 1 1 30 PHE HE1 H -4.764 2.415 -0.847 1.00 . A A . 30 PHE HE1 1 1 13 9348 1 1 30 PHE HE2 H -0.740 1.358 -0.011 1.00 . A A . 30 PHE HE2 1 1 13 9349 1 1 30 PHE HZ H -2.374 2.584 -1.363 1.00 . A A . 30 PHE HZ 1 1 13 9350 1 1 30 PHE N N -4.226 -0.668 5.137 1.00 . A A . 30 PHE N 1 1 13 9351 1 1 30 PHE O O -5.819 2.088 3.586 1.00 . A A . 30 PHE O 1 1 13 9352 1 1 31 ASP C C -8.254 1.654 5.419 1.00 . A A . 31 ASP C 1 1 13 9353 1 1 31 ASP CA C -8.061 0.614 4.313 1.00 . A A . 31 ASP CA 1 1 13 9354 1 1 31 ASP CB C -9.044 -0.532 4.564 1.00 . A A . 31 ASP CB 1 1 13 9355 1 1 31 ASP CG C -10.351 -0.447 3.773 1.00 . A A . 31 ASP CG 1 1 13 9356 1 1 31 ASP H H -6.572 -0.805 4.645 1.00 . A A . 31 ASP H 1 1 13 9357 1 1 31 ASP HA H -8.203 1.032 3.317 1.00 . A A . 31 ASP HA 1 1 13 9358 1 1 31 ASP HB2 H -8.551 -1.473 4.323 1.00 . A A . 31 ASP HB2 1 1 13 9359 1 1 31 ASP HB3 H -9.282 -0.560 5.628 1.00 . A A . 31 ASP HB3 1 1 13 9360 1 1 31 ASP HD2 H -11.254 -1.904 4.554 1.00 . A A . 31 ASP HD2 1 1 13 9361 1 1 31 ASP N N -6.688 0.139 4.336 1.00 . A A . 31 ASP N 1 1 13 9362 1 1 31 ASP O O -9.289 2.316 5.479 1.00 . A A . 31 ASP O 1 1 13 9363 1 1 31 ASP OD1 O -10.741 0.629 3.297 1.00 . A A . 31 ASP OD1 1 1 13 9364 1 1 31 ASP OD2 O -10.988 -1.562 3.652 1.00 . A A . 31 ASP OD2 1 1 13 9365 1 1 32 ASP C C -6.303 3.851 7.094 1.00 . A A . 32 ASP C 1 1 13 9366 1 1 32 ASP CA C -7.288 2.713 7.366 1.00 . A A . 32 ASP CA 1 1 13 9367 1 1 32 ASP CB C -6.888 2.047 8.685 1.00 . A A . 32 ASP CB 1 1 13 9368 1 1 32 ASP CG C -8.027 1.870 9.691 1.00 . A A . 32 ASP CG 1 1 13 9369 1 1 32 ASP H H -6.404 1.222 6.210 1.00 . A A . 32 ASP H 1 1 13 9370 1 1 32 ASP HA H -8.321 3.056 7.406 1.00 . A A . 32 ASP HA 1 1 13 9371 1 1 32 ASP HB2 H -6.462 1.068 8.465 1.00 . A A . 32 ASP HB2 1 1 13 9372 1 1 32 ASP HB3 H -6.101 2.640 9.150 1.00 . A A . 32 ASP HB3 1 1 13 9373 1 1 32 ASP HD2 H -7.414 0.551 10.887 1.00 . A A . 32 ASP HD2 1 1 13 9374 1 1 32 ASP N N -7.242 1.765 6.266 1.00 . A A . 32 ASP N 1 1 13 9375 1 1 32 ASP O O -6.052 4.682 7.966 1.00 . A A . 32 ASP O 1 1 13 9376 1 1 32 ASP OD1 O -9.207 2.056 9.359 1.00 . A A . 32 ASP OD1 1 1 13 9377 1 1 32 ASP OD2 O -7.657 1.520 10.877 1.00 . A A . 32 ASP OD2 1 1 13 9378 1 1 33 LEU C C -5.559 6.194 5.253 1.00 . A A . 33 LEU C 1 1 13 9379 1 1 33 LEU CA C -4.818 4.875 5.483 1.00 . A A . 33 LEU CA 1 1 13 9380 1 1 33 LEU CB C -4.004 4.409 4.274 1.00 . A A . 33 LEU CB 1 1 13 9381 1 1 33 LEU CD1 C -2.281 2.842 3.306 1.00 . A A . 33 LEU CD1 1 1 13 9382 1 1 33 LEU CD2 C -1.710 4.284 5.314 1.00 . A A . 33 LEU CD2 1 1 13 9383 1 1 33 LEU CG C -2.806 3.508 4.580 1.00 . A A . 33 LEU CG 1 1 13 9384 1 1 33 LEU H H -5.979 3.173 5.178 1.00 . A A . 33 LEU H 1 1 13 9385 1 1 33 LEU HA H -4.119 5.011 6.309 1.00 . A A . 33 LEU HA 1 1 13 9386 1 1 33 LEU HB2 H -4.671 3.875 3.597 1.00 . A A . 33 LEU HB2 1 1 13 9387 1 1 33 LEU HB3 H -3.645 5.289 3.741 1.00 . A A . 33 LEU HB3 1 1 13 9388 1 1 33 LEU HD11 H -3.118 2.598 2.653 1.00 . A A . 33 LEU HD11 1 1 13 9389 1 1 33 LEU HD12 H -1.605 3.525 2.791 1.00 . A A . 33 LEU HD12 1 1 13 9390 1 1 33 LEU HD13 H -1.745 1.930 3.567 1.00 . A A . 33 LEU HD13 1 1 13 9391 1 1 33 LEU HD21 H -2.089 4.624 6.278 1.00 . A A . 33 LEU HD21 1 1 13 9392 1 1 33 LEU HD22 H -0.848 3.635 5.471 1.00 . A A . 33 LEU HD22 1 1 13 9393 1 1 33 LEU HD23 H -1.412 5.145 4.717 1.00 . A A . 33 LEU HD23 1 1 13 9394 1 1 33 LEU HG H -3.138 2.712 5.246 1.00 . A A . 33 LEU HG 1 1 13 9395 1 1 33 LEU N N -5.770 3.853 5.881 1.00 . A A . 33 LEU N 1 1 13 9396 1 1 33 LEU O O -6.782 6.209 5.124 1.00 . A A . 33 LEU O 1 1 13 9397 1 1 34 PRO C C -5.744 8.811 3.534 1.00 . A A . 34 PRO C 1 1 13 9398 1 1 34 PRO CA C -5.334 8.619 4.995 1.00 . A A . 34 PRO CA 1 1 13 9399 1 1 34 PRO CB C -4.251 9.589 5.440 1.00 . A A . 34 PRO CB 1 1 13 9400 1 1 34 PRO CD C -3.314 7.319 5.356 1.00 . A A . 34 PRO CD 1 1 13 9401 1 1 34 PRO CG C -2.956 8.793 5.446 1.00 . A A . 34 PRO CG 1 1 13 9402 1 1 34 PRO HA H -6.171 8.727 5.531 1.00 . A A . 34 PRO HA 1 1 13 9403 1 1 34 PRO HB2 H -4.185 10.439 4.761 1.00 . A A . 34 PRO HB2 1 1 13 9404 1 1 34 PRO HB3 H -4.468 9.989 6.431 1.00 . A A . 34 PRO HB3 1 1 13 9405 1 1 34 PRO HD2 H -2.822 6.843 4.507 1.00 . A A . 34 PRO HD2 1 1 13 9406 1 1 34 PRO HD3 H -2.999 6.780 6.249 1.00 . A A . 34 PRO HD3 1 1 13 9407 1 1 34 PRO HG2 H -2.325 9.085 4.606 1.00 . A A . 34 PRO HG2 1 1 13 9408 1 1 34 PRO HG3 H -2.389 8.994 6.355 1.00 . A A . 34 PRO HG3 1 1 13 9409 1 1 34 PRO N N -4.766 7.298 5.207 1.00 . A A . 34 PRO N 1 1 13 9410 1 1 34 PRO O O -5.373 8.017 2.672 1.00 . A A . 34 PRO O 1 1 13 9411 1 1 35 ALA C C -5.931 11.045 1.249 1.00 . A A . 35 ALA C 1 1 13 9412 1 1 35 ALA CA C -6.971 10.177 1.959 1.00 . A A . 35 ALA CA 1 1 13 9413 1 1 35 ALA CB C -8.341 10.853 2.036 1.00 . A A . 35 ALA CB 1 1 13 9414 1 1 35 ALA H H -6.804 10.511 4.008 1.00 . A A . 35 ALA H 1 1 13 9415 1 1 35 ALA HA H -7.074 9.235 1.420 1.00 . A A . 35 ALA HA 1 1 13 9416 1 1 35 ALA HB1 H -8.367 11.700 1.350 1.00 . A A . 35 ALA HB1 1 1 13 9417 1 1 35 ALA HB2 H -9.116 10.138 1.759 1.00 . A A . 35 ALA HB2 1 1 13 9418 1 1 35 ALA HB3 H -8.517 11.203 3.053 1.00 . A A . 35 ALA HB3 1 1 13 9419 1 1 35 ALA N N -6.506 9.870 3.301 1.00 . A A . 35 ALA N 1 1 13 9420 1 1 35 ALA O O -6.250 11.740 0.286 1.00 . A A . 35 ALA O 1 1 13 9421 1 1 36 ASP C C -2.379 10.862 1.057 1.00 . A A . 36 ASP C 1 1 13 9422 1 1 36 ASP CA C -3.618 11.750 1.179 1.00 . A A . 36 ASP CA 1 1 13 9423 1 1 36 ASP CB C -3.259 12.942 2.069 1.00 . A A . 36 ASP CB 1 1 13 9424 1 1 36 ASP CG C -3.385 14.311 1.397 1.00 . A A . 36 ASP CG 1 1 13 9425 1 1 36 ASP H H -4.456 10.411 2.537 1.00 . A A . 36 ASP H 1 1 13 9426 1 1 36 ASP HA H -3.986 12.088 0.211 1.00 . A A . 36 ASP HA 1 1 13 9427 1 1 36 ASP HB2 H -3.902 12.925 2.949 1.00 . A A . 36 ASP HB2 1 1 13 9428 1 1 36 ASP HB3 H -2.235 12.819 2.420 1.00 . A A . 36 ASP HB3 1 1 13 9429 1 1 36 ASP HD2 H -2.327 15.671 0.638 1.00 . A A . 36 ASP HD2 1 1 13 9430 1 1 36 ASP N N -4.707 10.978 1.753 1.00 . A A . 36 ASP N 1 1 13 9431 1 1 36 ASP O O -1.287 11.349 0.767 1.00 . A A . 36 ASP O 1 1 13 9432 1 1 36 ASP OD1 O -4.410 14.996 1.532 1.00 . A A . 36 ASP OD1 1 1 13 9433 1 1 36 ASP OD2 O -2.361 14.673 0.702 1.00 . A A . 36 ASP OD2 1 1 13 9434 1 1 37 TRP C C -1.412 8.121 -0.244 1.00 . A A . 37 TRP C 1 1 13 9435 1 1 37 TRP CA C -1.501 8.612 1.203 1.00 . A A . 37 TRP CA 1 1 13 9436 1 1 37 TRP CB C -1.697 7.476 2.208 1.00 . A A . 37 TRP CB 1 1 13 9437 1 1 37 TRP CD1 C 0.375 6.417 3.324 1.00 . A A . 37 TRP CD1 1 1 13 9438 1 1 37 TRP CD2 C -0.084 5.555 1.336 1.00 . A A . 37 TRP CD2 1 1 13 9439 1 1 37 TRP CE2 C 1.035 4.907 1.818 1.00 . A A . 37 TRP CE2 1 1 13 9440 1 1 37 TRP CE3 C -0.634 5.233 0.082 1.00 . A A . 37 TRP CE3 1 1 13 9441 1 1 37 TRP CG C -0.502 6.528 2.317 1.00 . A A . 37 TRP CG 1 1 13 9442 1 1 37 TRP CH2 C 1.170 3.560 -0.139 1.00 . A A . 37 TRP CH2 1 1 13 9443 1 1 37 TRP CZ2 C 1.700 3.897 1.112 1.00 . A A . 37 TRP CZ2 1 1 13 9444 1 1 37 TRP CZ3 C 0.042 4.222 -0.611 1.00 . A A . 37 TRP CZ3 1 1 13 9445 1 1 37 TRP H H -3.479 9.185 1.519 1.00 . A A . 37 TRP H 1 1 13 9446 1 1 37 TRP HA H -0.581 9.126 1.479 1.00 . A A . 37 TRP HA 1 1 13 9447 1 1 37 TRP HB2 H -1.898 7.905 3.190 1.00 . A A . 37 TRP HB2 1 1 13 9448 1 1 37 TRP HB3 H -2.579 6.902 1.925 1.00 . A A . 37 TRP HB3 1 1 13 9449 1 1 37 TRP HD1 H 0.343 7.017 4.234 1.00 . A A . 37 TRP HD1 1 1 13 9450 1 1 37 TRP HE1 H 2.146 5.160 3.720 1.00 . A A . 37 TRP HE1 1 1 13 9451 1 1 37 TRP HE3 H -1.516 5.730 -0.320 1.00 . A A . 37 TRP HE3 1 1 13 9452 1 1 37 TRP HH2 H 1.640 2.782 -0.741 1.00 . A A . 37 TRP HH2 1 1 13 9453 1 1 37 TRP HZ2 H 2.582 3.401 1.515 1.00 . A A . 37 TRP HZ2 1 1 13 9454 1 1 37 TRP HZ3 H -0.343 3.934 -1.589 1.00 . A A . 37 TRP HZ3 1 1 13 9455 1 1 37 TRP N N -2.588 9.573 1.284 1.00 . A A . 37 TRP N 1 1 13 9456 1 1 37 TRP NE1 N 1.323 5.448 3.066 1.00 . A A . 37 TRP NE1 1 1 13 9457 1 1 37 TRP O O -2.433 7.925 -0.901 1.00 . A A . 37 TRP O 1 1 13 9458 1 1 38 VAL C C 1.345 6.650 -2.089 1.00 . A A . 38 VAL C 1 1 13 9459 1 1 38 VAL CA C 0.056 7.473 -2.054 1.00 . A A . 38 VAL CA 1 1 13 9460 1 1 38 VAL CB C 0.078 8.661 -3.017 1.00 . A A . 38 VAL CB 1 1 13 9461 1 1 38 VAL CG1 C -1.319 9.263 -3.179 1.00 . A A . 38 VAL CG1 1 1 13 9462 1 1 38 VAL CG2 C 1.081 9.721 -2.557 1.00 . A A . 38 VAL CG2 1 1 13 9463 1 1 38 VAL H H 0.645 8.100 -0.156 1.00 . A A . 38 VAL H 1 1 13 9464 1 1 38 VAL HA H -0.779 6.829 -2.331 1.00 . A A . 38 VAL HA 1 1 13 9465 1 1 38 VAL HB H 0.400 8.296 -3.992 1.00 . A A . 38 VAL HB 1 1 13 9466 1 1 38 VAL HG11 H -1.445 10.085 -2.474 1.00 . A A . 38 VAL HG11 1 1 13 9467 1 1 38 VAL HG12 H -1.440 9.634 -4.196 1.00 . A A . 38 VAL HG12 1 1 13 9468 1 1 38 VAL HG13 H -2.070 8.497 -2.980 1.00 . A A . 38 VAL HG13 1 1 13 9469 1 1 38 VAL HG21 H 1.281 10.412 -3.376 1.00 . A A . 38 VAL HG21 1 1 13 9470 1 1 38 VAL HG22 H 0.668 10.270 -1.711 1.00 . A A . 38 VAL HG22 1 1 13 9471 1 1 38 VAL HG23 H 2.010 9.236 -2.257 1.00 . A A . 38 VAL HG23 1 1 13 9472 1 1 38 VAL N N -0.181 7.937 -0.697 1.00 . A A . 38 VAL N 1 1 13 9473 1 1 38 VAL O O 2.249 6.872 -1.285 1.00 . A A . 38 VAL O 1 1 13 9474 1 1 39 CYS C C 3.806 5.730 -3.071 1.00 . A A . 39 CYS C 1 1 13 9475 1 1 39 CYS CA C 2.552 4.860 -3.180 1.00 . A A . 39 CYS CA 1 1 13 9476 1 1 39 CYS CB C 2.512 4.079 -4.495 1.00 . A A . 39 CYS CB 1 1 13 9477 1 1 39 CYS H H 0.648 5.544 -3.679 1.00 . A A . 39 CYS H 1 1 13 9478 1 1 39 CYS HA H 2.513 4.134 -2.369 1.00 . A A . 39 CYS HA 1 1 13 9479 1 1 39 CYS HB2 H 1.728 3.324 -4.429 1.00 . A A . 39 CYS HB2 1 1 13 9480 1 1 39 CYS HB3 H 2.232 4.760 -5.298 1.00 . A A . 39 CYS HB3 1 1 13 9481 1 1 39 CYS N N 1.388 5.718 -3.029 1.00 . A A . 39 CYS N 1 1 13 9482 1 1 39 CYS O O 4.159 6.437 -4.013 1.00 . A A . 39 CYS O 1 1 13 9483 1 1 39 CYS SG S 4.083 3.255 -4.946 1.00 . A A . 39 CYS SG 1 1 13 9484 1 1 40 PRO C C 6.864 5.813 -2.379 1.00 . A A . 40 PRO C 1 1 13 9485 1 1 40 PRO CA C 5.669 6.416 -1.638 1.00 . A A . 40 PRO CA 1 1 13 9486 1 1 40 PRO CB C 5.842 6.408 -0.127 1.00 . A A . 40 PRO CB 1 1 13 9487 1 1 40 PRO CD C 4.073 4.818 -0.744 1.00 . A A . 40 PRO CD 1 1 13 9488 1 1 40 PRO CG C 4.996 5.253 0.383 1.00 . A A . 40 PRO CG 1 1 13 9489 1 1 40 PRO HA H 5.567 7.345 -1.994 1.00 . A A . 40 PRO HA 1 1 13 9490 1 1 40 PRO HB2 H 6.889 6.275 0.145 1.00 . A A . 40 PRO HB2 1 1 13 9491 1 1 40 PRO HB3 H 5.516 7.353 0.308 1.00 . A A . 40 PRO HB3 1 1 13 9492 1 1 40 PRO HD2 H 4.192 3.758 -0.967 1.00 . A A . 40 PRO HD2 1 1 13 9493 1 1 40 PRO HD3 H 3.026 4.973 -0.481 1.00 . A A . 40 PRO HD3 1 1 13 9494 1 1 40 PRO HG2 H 5.630 4.425 0.698 1.00 . A A . 40 PRO HG2 1 1 13 9495 1 1 40 PRO HG3 H 4.416 5.560 1.253 1.00 . A A . 40 PRO HG3 1 1 13 9496 1 1 40 PRO N N 4.462 5.646 -1.882 1.00 . A A . 40 PRO N 1 1 13 9497 1 1 40 PRO O O 7.895 5.526 -1.772 1.00 . A A . 40 PRO O 1 1 13 9498 1 1 41 VAL C C 7.675 5.707 -5.903 1.00 . A A . 41 VAL C 1 1 13 9499 1 1 41 VAL CA C 7.737 5.075 -4.511 1.00 . A A . 41 VAL CA 1 1 13 9500 1 1 41 VAL CB C 7.618 3.550 -4.541 1.00 . A A . 41 VAL CB 1 1 13 9501 1 1 41 VAL CG1 C 8.680 2.936 -5.456 1.00 . A A . 41 VAL CG1 1 1 13 9502 1 1 41 VAL CG2 C 7.706 2.965 -3.129 1.00 . A A . 41 VAL CG2 1 1 13 9503 1 1 41 VAL H H 5.844 5.875 -4.166 1.00 . A A . 41 VAL H 1 1 13 9504 1 1 41 VAL HA H 8.692 5.331 -4.052 1.00 . A A . 41 VAL HA 1 1 13 9505 1 1 41 VAL HB H 6.639 3.298 -4.947 1.00 . A A . 41 VAL HB 1 1 13 9506 1 1 41 VAL HG11 H 9.566 3.571 -5.462 1.00 . A A . 41 VAL HG11 1 1 13 9507 1 1 41 VAL HG12 H 8.946 1.944 -5.089 1.00 . A A . 41 VAL HG12 1 1 13 9508 1 1 41 VAL HG13 H 8.284 2.854 -6.468 1.00 . A A . 41 VAL HG13 1 1 13 9509 1 1 41 VAL HG21 H 8.011 1.921 -3.187 1.00 . A A . 41 VAL HG21 1 1 13 9510 1 1 41 VAL HG22 H 8.439 3.526 -2.549 1.00 . A A . 41 VAL HG22 1 1 13 9511 1 1 41 VAL HG23 H 6.731 3.033 -2.647 1.00 . A A . 41 VAL HG23 1 1 13 9512 1 1 41 VAL N N 6.686 5.639 -3.680 1.00 . A A . 41 VAL N 1 1 13 9513 1 1 41 VAL O O 8.682 6.194 -6.413 1.00 . A A . 41 VAL O 1 1 13 9514 1 1 42 CYS C C 5.381 7.476 -7.663 1.00 . A A . 42 CYS C 1 1 13 9515 1 1 42 CYS CA C 6.275 6.242 -7.801 1.00 . A A . 42 CYS CA 1 1 13 9516 1 1 42 CYS CB C 5.684 5.214 -8.768 1.00 . A A . 42 CYS CB 1 1 13 9517 1 1 42 CYS H H 5.667 5.280 -6.057 1.00 . A A . 42 CYS H 1 1 13 9518 1 1 42 CYS HA H 7.258 6.517 -8.181 1.00 . A A . 42 CYS HA 1 1 13 9519 1 1 42 CYS HB2 H 5.879 5.542 -9.789 1.00 . A A . 42 CYS HB2 1 1 13 9520 1 1 42 CYS HB3 H 6.205 4.266 -8.632 1.00 . A A . 42 CYS HB3 1 1 13 9521 1 1 42 CYS N N 6.481 5.678 -6.478 1.00 . A A . 42 CYS N 1 1 13 9522 1 1 42 CYS O O 5.617 8.493 -8.312 1.00 . A A . 42 CYS O 1 1 13 9523 1 1 42 CYS SG S 3.886 4.926 -8.579 1.00 . A A . 42 CYS SG 1 1 13 9524 1 1 43 GLY C C 1.993 7.948 -6.663 1.00 . A A . 43 GLY C 1 1 13 9525 1 1 43 GLY CA C 3.441 8.436 -6.583 1.00 . A A . 43 GLY CA 1 1 13 9526 1 1 43 GLY H H 4.187 6.513 -6.290 1.00 . A A . 43 GLY H 1 1 13 9527 1 1 43 GLY HA2 H 3.627 8.876 -5.603 1.00 . A A . 43 GLY HA2 1 1 13 9528 1 1 43 GLY HA3 H 3.606 9.221 -7.321 1.00 . A A . 43 GLY HA3 1 1 13 9529 1 1 43 GLY N N 4.372 7.344 -6.814 1.00 . A A . 43 GLY N 1 1 13 9530 1 1 43 GLY O O 1.115 8.489 -5.993 1.00 . A A . 43 GLY O 1 1 13 9531 1 1 44 ALA C C -0.352 6.580 -6.387 1.00 . A A . 44 ALA C 1 1 13 9532 1 1 44 ALA CA C 0.463 6.365 -7.664 1.00 . A A . 44 ALA CA 1 1 13 9533 1 1 44 ALA CB C 0.585 4.886 -8.036 1.00 . A A . 44 ALA CB 1 1 13 9534 1 1 44 ALA H H 2.510 6.498 -8.029 1.00 . A A . 44 ALA H 1 1 13 9535 1 1 44 ALA HA H -0.018 6.895 -8.486 1.00 . A A . 44 ALA HA 1 1 13 9536 1 1 44 ALA HB1 H 1.415 4.441 -7.488 1.00 . A A . 44 ALA HB1 1 1 13 9537 1 1 44 ALA HB2 H -0.340 4.369 -7.778 1.00 . A A . 44 ALA HB2 1 1 13 9538 1 1 44 ALA HB3 H 0.766 4.795 -9.107 1.00 . A A . 44 ALA HB3 1 1 13 9539 1 1 44 ALA N N 1.790 6.932 -7.488 1.00 . A A . 44 ALA N 1 1 13 9540 1 1 44 ALA O O 0.181 6.482 -5.282 1.00 . A A . 44 ALA O 1 1 13 9541 1 1 45 PRO C C -2.924 5.789 -4.776 1.00 . A A . 45 PRO C 1 1 13 9542 1 1 45 PRO CA C -2.558 7.106 -5.463 1.00 . A A . 45 PRO CA 1 1 13 9543 1 1 45 PRO CB C -3.761 7.820 -6.058 1.00 . A A . 45 PRO CB 1 1 13 9544 1 1 45 PRO CD C -2.329 7.001 -7.879 1.00 . A A . 45 PRO CD 1 1 13 9545 1 1 45 PRO CG C -3.708 7.551 -7.553 1.00 . A A . 45 PRO CG 1 1 13 9546 1 1 45 PRO HA H -2.104 7.661 -4.766 1.00 . A A . 45 PRO HA 1 1 13 9547 1 1 45 PRO HB2 H -4.689 7.447 -5.626 1.00 . A A . 45 PRO HB2 1 1 13 9548 1 1 45 PRO HB3 H -3.721 8.890 -5.852 1.00 . A A . 45 PRO HB3 1 1 13 9549 1 1 45 PRO HD2 H -2.397 6.037 -8.384 1.00 . A A . 45 PRO HD2 1 1 13 9550 1 1 45 PRO HD3 H -1.782 7.671 -8.543 1.00 . A A . 45 PRO HD3 1 1 13 9551 1 1 45 PRO HG2 H -4.481 6.839 -7.840 1.00 . A A . 45 PRO HG2 1 1 13 9552 1 1 45 PRO HG3 H -3.895 8.468 -8.112 1.00 . A A . 45 PRO HG3 1 1 13 9553 1 1 45 PRO N N -1.664 6.877 -6.586 1.00 . A A . 45 PRO N 1 1 13 9554 1 1 45 PRO O O -2.834 4.722 -5.382 1.00 . A A . 45 PRO O 1 1 13 9555 1 1 46 LYS C C -4.805 3.972 -3.488 1.00 . A A . 46 LYS C 1 1 13 9556 1 1 46 LYS CA C -3.710 4.739 -2.744 1.00 . A A . 46 LYS CA 1 1 13 9557 1 1 46 LYS CB C -4.101 5.145 -1.322 1.00 . A A . 46 LYS CB 1 1 13 9558 1 1 46 LYS CD C -5.785 6.423 0.054 1.00 . A A . 46 LYS CD 1 1 13 9559 1 1 46 LYS CE C -6.079 5.384 1.139 1.00 . A A . 46 LYS CE 1 1 13 9560 1 1 46 LYS CG C -5.507 5.747 -1.290 1.00 . A A . 46 LYS CG 1 1 13 9561 1 1 46 LYS H H -3.400 6.778 -3.035 1.00 . A A . 46 LYS H 1 1 13 9562 1 1 46 LYS HA H -2.832 4.098 -2.666 1.00 . A A . 46 LYS HA 1 1 13 9563 1 1 46 LYS HB2 H -4.060 4.275 -0.666 1.00 . A A . 46 LYS HB2 1 1 13 9564 1 1 46 LYS HB3 H -3.383 5.868 -0.936 1.00 . A A . 46 LYS HB3 1 1 13 9565 1 1 46 LYS HD2 H -4.925 7.026 0.346 1.00 . A A . 46 LYS HD2 1 1 13 9566 1 1 46 LYS HD3 H -6.632 7.101 -0.044 1.00 . A A . 46 LYS HD3 1 1 13 9567 1 1 46 LYS HE2 H -5.592 4.441 0.889 1.00 . A A . 46 LYS HE2 1 1 13 9568 1 1 46 LYS HE3 H -5.663 5.716 2.090 1.00 . A A . 46 LYS HE3 1 1 13 9569 1 1 46 LYS HG2 H -5.613 6.475 -2.095 1.00 . A A . 46 LYS HG2 1 1 13 9570 1 1 46 LYS HG3 H -6.246 4.965 -1.468 1.00 . A A . 46 LYS HG3 1 1 13 9571 1 1 46 LYS HZ1 H -7.769 4.201 1.432 1.00 . A A . 46 LYS HZ1 1 1 13 9572 1 1 46 LYS HZ3 H -8.042 5.467 0.444 1.00 . A A . 46 LYS HZ3 1 1 13 9573 1 1 46 LYS N N -3.330 5.907 -3.520 1.00 . A A . 46 LYS N 1 1 13 9574 1 1 46 LYS NZ N -7.538 5.176 1.274 1.00 . A A . 46 LYS NZ 1 1 13 9575 1 1 46 LYS O O -4.945 2.762 -3.319 1.00 . A A . 46 LYS O 1 1 13 9576 1 1 47 SER C C -6.059 3.197 -6.149 1.00 . A A . 47 SER C 1 1 13 9577 1 1 47 SER CA C -6.633 4.112 -5.066 1.00 . A A . 47 SER CA 1 1 13 9578 1 1 47 SER CB C -7.520 5.189 -5.695 1.00 . A A . 47 SER CB 1 1 13 9579 1 1 47 SER H H -5.434 5.692 -4.427 1.00 . A A . 47 SER H 1 1 13 9580 1 1 47 SER HA H -7.216 3.536 -4.347 1.00 . A A . 47 SER HA 1 1 13 9581 1 1 47 SER HB2 H -6.976 6.133 -5.727 1.00 . A A . 47 SER HB2 1 1 13 9582 1 1 47 SER HB3 H -7.744 4.915 -6.726 1.00 . A A . 47 SER HB3 1 1 13 9583 1 1 47 SER HG H -8.711 4.840 -4.125 1.00 . A A . 47 SER HG 1 1 13 9584 1 1 47 SER N N -5.554 4.708 -4.295 1.00 . A A . 47 SER N 1 1 13 9585 1 1 47 SER O O -6.798 2.460 -6.799 1.00 . A A . 47 SER O 1 1 13 9586 1 1 47 SER OG O -8.736 5.366 -4.976 1.00 . A A . 47 SER OG 1 1 13 9587 1 1 48 GLU C C -3.344 1.291 -6.627 1.00 . A A . 48 GLU C 1 1 13 9588 1 1 48 GLU CA C -4.064 2.461 -7.302 1.00 . A A . 48 GLU CA 1 1 13 9589 1 1 48 GLU CB C -3.088 3.305 -8.124 1.00 . A A . 48 GLU CB 1 1 13 9590 1 1 48 GLU CD C -3.000 4.446 -10.371 1.00 . A A . 48 GLU CD 1 1 13 9591 1 1 48 GLU CG C -3.836 4.201 -9.113 1.00 . A A . 48 GLU CG 1 1 13 9592 1 1 48 GLU H H -4.152 3.876 -5.775 1.00 . A A . 48 GLU H 1 1 13 9593 1 1 48 GLU HA H -4.850 2.084 -7.956 1.00 . A A . 48 GLU HA 1 1 13 9594 1 1 48 GLU HB2 H -2.482 3.919 -7.458 1.00 . A A . 48 GLU HB2 1 1 13 9595 1 1 48 GLU HB3 H -2.403 2.651 -8.665 1.00 . A A . 48 GLU HB3 1 1 13 9596 1 1 48 GLU HE2 H -1.616 5.685 -10.679 1.00 . A A . 48 GLU HE2 1 1 13 9597 1 1 48 GLU HG2 H -4.783 3.735 -9.386 1.00 . A A . 48 GLU HG2 1 1 13 9598 1 1 48 GLU HG3 H -4.073 5.153 -8.639 1.00 . A A . 48 GLU HG3 1 1 13 9599 1 1 48 GLU N N -4.746 3.274 -6.309 1.00 . A A . 48 GLU N 1 1 13 9600 1 1 48 GLU O O -2.289 0.859 -7.087 1.00 . A A . 48 GLU O 1 1 13 9601 1 1 48 GLU OE1 O -2.751 3.508 -11.143 1.00 . A A . 48 GLU OE1 1 1 13 9602 1 1 48 GLU OE2 O -2.605 5.663 -10.535 1.00 . A A . 48 GLU OE2 1 1 13 9603 1 1 49 PHE C C -4.399 -1.420 -4.623 1.00 . A A . 49 PHE C 1 1 13 9604 1 1 49 PHE CA C -3.374 -0.298 -4.805 1.00 . A A . 49 PHE CA 1 1 13 9605 1 1 49 PHE CB C -2.976 0.240 -3.429 1.00 . A A . 49 PHE CB 1 1 13 9606 1 1 49 PHE CD1 C -0.728 -0.828 -3.145 1.00 . A A . 49 PHE CD1 1 1 13 9607 1 1 49 PHE CD2 C -0.856 1.523 -3.063 1.00 . A A . 49 PHE CD2 1 1 13 9608 1 1 49 PHE CE1 C 0.674 -0.759 -2.936 1.00 . A A . 49 PHE CE1 1 1 13 9609 1 1 49 PHE CE2 C 0.546 1.592 -2.854 1.00 . A A . 49 PHE CE2 1 1 13 9610 1 1 49 PHE CG C -1.464 0.315 -3.204 1.00 . A A . 49 PHE CG 1 1 13 9611 1 1 49 PHE CZ C 1.282 0.450 -2.795 1.00 . A A . 49 PHE CZ 1 1 13 9612 1 1 49 PHE H H -4.803 1.170 -5.179 1.00 . A A . 49 PHE H 1 1 13 9613 1 1 49 PHE HA H -2.528 -0.672 -5.381 1.00 . A A . 49 PHE HA 1 1 13 9614 1 1 49 PHE HB2 H -3.401 1.236 -3.303 1.00 . A A . 49 PHE HB2 1 1 13 9615 1 1 49 PHE HB3 H -3.416 -0.395 -2.660 1.00 . A A . 49 PHE HB3 1 1 13 9616 1 1 49 PHE HD1 H -1.216 -1.796 -3.258 1.00 . A A . 49 PHE HD1 1 1 13 9617 1 1 49 PHE HD2 H -1.446 2.438 -3.110 1.00 . A A . 49 PHE HD2 1 1 13 9618 1 1 49 PHE HE1 H 1.264 -1.674 -2.889 1.00 . A A . 49 PHE HE1 1 1 13 9619 1 1 49 PHE HE2 H 1.033 2.561 -2.741 1.00 . A A . 49 PHE HE2 1 1 13 9620 1 1 49 PHE HZ H 2.359 0.503 -2.634 1.00 . A A . 49 PHE HZ 1 1 13 9621 1 1 49 PHE N N -3.944 0.813 -5.547 1.00 . A A . 49 PHE N 1 1 13 9622 1 1 49 PHE O O -5.559 -1.160 -4.309 1.00 . A A . 49 PHE O 1 1 13 9623 1 1 50 GLU C C -3.976 -5.025 -4.264 1.00 . A A . 50 GLU C 1 1 13 9624 1 1 50 GLU CA C -4.794 -3.805 -4.691 1.00 . A A . 50 GLU CA 1 1 13 9625 1 1 50 GLU CB C -5.554 -4.081 -5.991 1.00 . A A . 50 GLU CB 1 1 13 9626 1 1 50 GLU CD C -5.337 -4.650 -8.438 1.00 . A A . 50 GLU CD 1 1 13 9627 1 1 50 GLU CG C -4.594 -4.491 -7.110 1.00 . A A . 50 GLU CG 1 1 13 9628 1 1 50 GLU H H -2.987 -2.846 -5.084 1.00 . A A . 50 GLU H 1 1 13 9629 1 1 50 GLU HA H -5.508 -3.546 -3.909 1.00 . A A . 50 GLU HA 1 1 13 9630 1 1 50 GLU HB2 H -6.286 -4.872 -5.827 1.00 . A A . 50 GLU HB2 1 1 13 9631 1 1 50 GLU HB3 H -6.107 -3.191 -6.289 1.00 . A A . 50 GLU HB3 1 1 13 9632 1 1 50 GLU HE2 H -6.948 -5.616 -8.297 1.00 . A A . 50 GLU HE2 1 1 13 9633 1 1 50 GLU HG2 H -3.811 -3.741 -7.215 1.00 . A A . 50 GLU HG2 1 1 13 9634 1 1 50 GLU HG3 H -4.104 -5.429 -6.848 1.00 . A A . 50 GLU HG3 1 1 13 9635 1 1 50 GLU N N -3.933 -2.643 -4.829 1.00 . A A . 50 GLU N 1 1 13 9636 1 1 50 GLU O O -2.761 -5.059 -4.453 1.00 . A A . 50 GLU O 1 1 13 9637 1 1 50 GLU OE1 O -5.276 -3.755 -9.293 1.00 . A A . 50 GLU OE1 1 1 13 9638 1 1 50 GLU OE2 O -5.995 -5.753 -8.566 1.00 . A A . 50 GLU OE2 1 1 13 9639 1 1 51 ALA C C -3.872 -8.178 -4.423 1.00 . A A . 51 ALA C 1 1 13 9640 1 1 51 ALA CA C -4.028 -7.217 -3.243 1.00 . A A . 51 ALA CA 1 1 13 9641 1 1 51 ALA CB C -4.838 -7.828 -2.097 1.00 . A A . 51 ALA CB 1 1 13 9642 1 1 51 ALA H H -5.663 -5.963 -3.549 1.00 . A A . 51 ALA H 1 1 13 9643 1 1 51 ALA HA H -3.039 -6.949 -2.870 1.00 . A A . 51 ALA HA 1 1 13 9644 1 1 51 ALA HB1 H -5.147 -8.837 -2.369 1.00 . A A . 51 ALA HB1 1 1 13 9645 1 1 51 ALA HB2 H -4.223 -7.865 -1.198 1.00 . A A . 51 ALA HB2 1 1 13 9646 1 1 51 ALA HB3 H -5.720 -7.216 -1.910 1.00 . A A . 51 ALA HB3 1 1 13 9647 1 1 51 ALA N N -4.675 -5.998 -3.698 1.00 . A A . 51 ALA N 1 1 13 9648 1 1 51 ALA O O -4.860 -8.579 -5.037 1.00 . A A . 51 ALA O 1 1 13 9649 1 1 52 ALA C C -2.312 -10.863 -5.281 1.00 . A A . 52 ALA C 1 1 13 9650 1 1 52 ALA CA C -2.325 -9.425 -5.802 1.00 . A A . 52 ALA CA 1 1 13 9651 1 1 52 ALA CB C -0.996 -9.026 -6.447 1.00 . A A . 52 ALA CB 1 1 13 9652 1 1 52 ALA H H -1.825 -8.188 -4.202 1.00 . A A . 52 ALA H 1 1 13 9653 1 1 52 ALA HA H -3.118 -9.322 -6.543 1.00 . A A . 52 ALA HA 1 1 13 9654 1 1 52 ALA HB1 H -0.193 -9.635 -6.030 1.00 . A A . 52 ALA HB1 1 1 13 9655 1 1 52 ALA HB2 H -1.051 -9.187 -7.524 1.00 . A A . 52 ALA HB2 1 1 13 9656 1 1 52 ALA HB3 H -0.795 -7.974 -6.246 1.00 . A A . 52 ALA HB3 1 1 13 9657 1 1 52 ALA N N -2.623 -8.519 -4.706 1.00 . A A . 52 ALA N 1 1 13 9658 1 1 52 ALA O O -2.120 -11.092 -4.088 1.00 . A A . 52 ALA O 1 1 13 9659 2 2 1 NI NI NI 3.810 2.896 -7.304 1.00 . B A . 53 NI NI 1 1 14 9660 1 1 1 MET C C -4.461 -9.980 1.791 1.00 . A A . 1 MET C 1 1 14 9661 1 1 1 MET CA C -5.706 -10.617 1.170 1.00 . A A . 1 MET CA 1 1 14 9662 1 1 1 MET CB C -5.286 -11.743 0.223 1.00 . A A . 1 MET CB 1 1 14 9663 1 1 1 MET CE C -7.759 -12.772 -1.939 1.00 . A A . 1 MET CE 1 1 14 9664 1 1 1 MET CG C -6.241 -12.934 0.329 1.00 . A A . 1 MET CG 1 1 14 9665 1 1 1 MET H1 H -7.033 -10.002 -0.313 1.00 . A A . 1 MET H1 1 1 14 9666 1 1 1 MET HA H -6.365 -10.985 1.956 1.00 . A A . 1 MET HA 1 1 14 9667 1 1 1 MET HB2 H -5.271 -11.374 -0.802 1.00 . A A . 1 MET HB2 1 1 14 9668 1 1 1 MET HB3 H -4.271 -12.064 0.461 1.00 . A A . 1 MET HB3 1 1 14 9669 1 1 1 MET HE1 H -7.414 -12.225 -2.816 1.00 . A A . 1 MET HE1 1 1 14 9670 1 1 1 MET HE2 H -8.570 -13.443 -2.225 1.00 . A A . 1 MET HE2 1 1 14 9671 1 1 1 MET HE3 H -8.119 -12.067 -1.189 1.00 . A A . 1 MET HE3 1 1 14 9672 1 1 1 MET HG2 H -5.864 -13.649 1.061 1.00 . A A . 1 MET HG2 1 1 14 9673 1 1 1 MET HG3 H -7.215 -12.599 0.684 1.00 . A A . 1 MET HG3 1 1 14 9674 1 1 1 MET N N -6.485 -9.633 0.438 1.00 . A A . 1 MET N 1 1 14 9675 1 1 1 MET O O -3.379 -10.563 1.756 1.00 . A A . 1 MET O 1 1 14 9676 1 1 1 MET SD S -6.410 -13.724 -1.262 1.00 . A A . 1 MET SD 1 1 14 9677 1 1 2 LYS C C -2.387 -7.987 1.998 1.00 . A A . 2 LYS C 1 1 14 9678 1 1 2 LYS CA C -3.564 -8.070 2.973 1.00 . A A . 2 LYS CA 1 1 14 9679 1 1 2 LYS CB C -3.204 -8.705 4.317 1.00 . A A . 2 LYS CB 1 1 14 9680 1 1 2 LYS CD C -5.231 -7.981 5.631 1.00 . A A . 2 LYS CD 1 1 14 9681 1 1 2 LYS CE C -5.946 -6.760 5.048 1.00 . A A . 2 LYS CE 1 1 14 9682 1 1 2 LYS CG C -3.714 -7.852 5.480 1.00 . A A . 2 LYS CG 1 1 14 9683 1 1 2 LYS H H -5.541 -8.326 2.369 1.00 . A A . 2 LYS H 1 1 14 9684 1 1 2 LYS HA H -3.915 -7.059 3.177 1.00 . A A . 2 LYS HA 1 1 14 9685 1 1 2 LYS HB2 H -3.635 -9.705 4.379 1.00 . A A . 2 LYS HB2 1 1 14 9686 1 1 2 LYS HB3 H -2.123 -8.820 4.392 1.00 . A A . 2 LYS HB3 1 1 14 9687 1 1 2 LYS HD2 H -5.575 -8.884 5.126 1.00 . A A . 2 LYS HD2 1 1 14 9688 1 1 2 LYS HD3 H -5.488 -8.088 6.685 1.00 . A A . 2 LYS HD3 1 1 14 9689 1 1 2 LYS HE2 H -6.269 -6.101 5.854 1.00 . A A . 2 LYS HE2 1 1 14 9690 1 1 2 LYS HE3 H -5.255 -6.190 4.427 1.00 . A A . 2 LYS HE3 1 1 14 9691 1 1 2 LYS HG2 H -3.226 -8.161 6.404 1.00 . A A . 2 LYS HG2 1 1 14 9692 1 1 2 LYS HG3 H -3.449 -6.808 5.314 1.00 . A A . 2 LYS HG3 1 1 14 9693 1 1 2 LYS HZ1 H -6.901 -7.970 3.645 1.00 . A A . 2 LYS HZ1 1 1 14 9694 1 1 2 LYS HZ3 H -7.447 -6.436 3.639 1.00 . A A . 2 LYS HZ3 1 1 14 9695 1 1 2 LYS N N -4.657 -8.793 2.345 1.00 . A A . 2 LYS N 1 1 14 9696 1 1 2 LYS NZ N -7.115 -7.180 4.243 1.00 . A A . 2 LYS NZ 1 1 14 9697 1 1 2 LYS O O -2.458 -8.512 0.888 1.00 . A A . 2 LYS O 1 1 14 9698 1 1 3 LYS C C -0.558 -6.840 0.192 1.00 . A A . 3 LYS C 1 1 14 9699 1 1 3 LYS CA C -0.143 -7.163 1.630 1.00 . A A . 3 LYS CA 1 1 14 9700 1 1 3 LYS CB C 0.757 -8.394 1.748 1.00 . A A . 3 LYS CB 1 1 14 9701 1 1 3 LYS CD C 1.655 -7.829 4.036 1.00 . A A . 3 LYS CD 1 1 14 9702 1 1 3 LYS CE C 1.632 -8.199 5.520 1.00 . A A . 3 LYS CE 1 1 14 9703 1 1 3 LYS CG C 0.875 -8.849 3.204 1.00 . A A . 3 LYS CG 1 1 14 9704 1 1 3 LYS H H -1.284 -6.898 3.352 1.00 . A A . 3 LYS H 1 1 14 9705 1 1 3 LYS HA H 0.415 -6.316 2.027 1.00 . A A . 3 LYS HA 1 1 14 9706 1 1 3 LYS HB2 H 0.354 -9.205 1.142 1.00 . A A . 3 LYS HB2 1 1 14 9707 1 1 3 LYS HB3 H 1.747 -8.165 1.354 1.00 . A A . 3 LYS HB3 1 1 14 9708 1 1 3 LYS HD2 H 2.686 -7.781 3.686 1.00 . A A . 3 LYS HD2 1 1 14 9709 1 1 3 LYS HD3 H 1.225 -6.837 3.898 1.00 . A A . 3 LYS HD3 1 1 14 9710 1 1 3 LYS HE2 H 1.897 -7.330 6.122 1.00 . A A . 3 LYS HE2 1 1 14 9711 1 1 3 LYS HE3 H 0.624 -8.494 5.812 1.00 . A A . 3 LYS HE3 1 1 14 9712 1 1 3 LYS HG2 H -0.120 -8.984 3.628 1.00 . A A . 3 LYS HG2 1 1 14 9713 1 1 3 LYS HG3 H 1.374 -9.817 3.248 1.00 . A A . 3 LYS HG3 1 1 14 9714 1 1 3 LYS HZ1 H 2.425 -9.717 6.708 1.00 . A A . 3 LYS HZ1 1 1 14 9715 1 1 3 LYS HZ3 H 3.542 -8.996 5.767 1.00 . A A . 3 LYS HZ3 1 1 14 9716 1 1 3 LYS N N -1.333 -7.322 2.448 1.00 . A A . 3 LYS N 1 1 14 9717 1 1 3 LYS NZ N 2.577 -9.306 5.793 1.00 . A A . 3 LYS NZ 1 1 14 9718 1 1 3 LYS O O -0.775 -7.745 -0.613 1.00 . A A . 3 LYS O 1 1 14 9719 1 1 4 TYR C C 0.181 -4.619 -2.203 1.00 . A A . 4 TYR C 1 1 14 9720 1 1 4 TYR CA C -1.039 -5.095 -1.412 1.00 . A A . 4 TYR CA 1 1 14 9721 1 1 4 TYR CB C -1.985 -3.913 -1.196 1.00 . A A . 4 TYR CB 1 1 14 9722 1 1 4 TYR CD1 C -2.209 -3.537 1.288 1.00 . A A . 4 TYR CD1 1 1 14 9723 1 1 4 TYR CD2 C -4.061 -4.487 0.114 1.00 . A A . 4 TYR CD2 1 1 14 9724 1 1 4 TYR CE1 C -2.955 -3.601 2.517 1.00 . A A . 4 TYR CE1 1 1 14 9725 1 1 4 TYR CE2 C -4.808 -4.551 1.344 1.00 . A A . 4 TYR CE2 1 1 14 9726 1 1 4 TYR CG C -2.778 -3.981 0.111 1.00 . A A . 4 TYR CG 1 1 14 9727 1 1 4 TYR CZ C -4.218 -4.105 2.485 1.00 . A A . 4 TYR CZ 1 1 14 9728 1 1 4 TYR H H -0.476 -4.819 0.575 1.00 . A A . 4 TYR H 1 1 14 9729 1 1 4 TYR HA H -1.497 -5.935 -1.935 1.00 . A A . 4 TYR HA 1 1 14 9730 1 1 4 TYR HB2 H -1.405 -2.990 -1.209 1.00 . A A . 4 TYR HB2 1 1 14 9731 1 1 4 TYR HB3 H -2.684 -3.862 -2.030 1.00 . A A . 4 TYR HB3 1 1 14 9732 1 1 4 TYR HD1 H -1.194 -3.137 1.286 1.00 . A A . 4 TYR HD1 1 1 14 9733 1 1 4 TYR HD2 H -4.511 -4.838 -0.815 1.00 . A A . 4 TYR HD2 1 1 14 9734 1 1 4 TYR HE1 H -2.517 -3.253 3.453 1.00 . A A . 4 TYR HE1 1 1 14 9735 1 1 4 TYR HE2 H -5.823 -4.948 1.360 1.00 . A A . 4 TYR HE2 1 1 14 9736 1 1 4 TYR HH H -5.260 -3.256 3.889 1.00 . A A . 4 TYR HH 1 1 14 9737 1 1 4 TYR N N -0.654 -5.549 -0.086 1.00 . A A . 4 TYR N 1 1 14 9738 1 1 4 TYR O O 1.318 -4.834 -1.787 1.00 . A A . 4 TYR O 1 1 14 9739 1 1 4 TYR OH O -4.922 -4.165 3.646 1.00 . A A . 4 TYR OH 1 1 14 9740 1 1 5 VAL C C 0.477 -2.210 -4.897 1.00 . A A . 5 VAL C 1 1 14 9741 1 1 5 VAL CA C 0.963 -3.474 -4.185 1.00 . A A . 5 VAL CA 1 1 14 9742 1 1 5 VAL CB C 1.424 -4.565 -5.153 1.00 . A A . 5 VAL CB 1 1 14 9743 1 1 5 VAL CG1 C 0.447 -4.710 -6.321 1.00 . A A . 5 VAL CG1 1 1 14 9744 1 1 5 VAL CG2 C 2.843 -4.289 -5.655 1.00 . A A . 5 VAL CG2 1 1 14 9745 1 1 5 VAL H H -1.025 -3.812 -3.663 1.00 . A A . 5 VAL H 1 1 14 9746 1 1 5 VAL HA H 1.805 -3.213 -3.543 1.00 . A A . 5 VAL HA 1 1 14 9747 1 1 5 VAL HB H 1.439 -5.510 -4.609 1.00 . A A . 5 VAL HB 1 1 14 9748 1 1 5 VAL HG11 H 0.387 -5.757 -6.617 1.00 . A A . 5 VAL HG11 1 1 14 9749 1 1 5 VAL HG12 H -0.539 -4.362 -6.016 1.00 . A A . 5 VAL HG12 1 1 14 9750 1 1 5 VAL HG13 H 0.798 -4.114 -7.164 1.00 . A A . 5 VAL HG13 1 1 14 9751 1 1 5 VAL HG21 H 2.872 -3.317 -6.146 1.00 . A A . 5 VAL HG21 1 1 14 9752 1 1 5 VAL HG22 H 3.534 -4.291 -4.811 1.00 . A A . 5 VAL HG22 1 1 14 9753 1 1 5 VAL HG23 H 3.134 -5.064 -6.364 1.00 . A A . 5 VAL HG23 1 1 14 9754 1 1 5 VAL N N -0.097 -3.982 -3.331 1.00 . A A . 5 VAL N 1 1 14 9755 1 1 5 VAL O O -0.690 -2.114 -5.271 1.00 . A A . 5 VAL O 1 1 14 9756 1 1 6 CYS C C 0.180 -0.322 -6.924 1.00 . A A . 6 CYS C 1 1 14 9757 1 1 6 CYS CA C 1.078 -0.017 -5.722 1.00 . A A . 6 CYS CA 1 1 14 9758 1 1 6 CYS CB C 2.340 0.745 -6.131 1.00 . A A . 6 CYS CB 1 1 14 9759 1 1 6 CYS H H 2.345 -1.357 -4.754 1.00 . A A . 6 CYS H 1 1 14 9760 1 1 6 CYS HA H 0.550 0.596 -4.991 1.00 . A A . 6 CYS HA 1 1 14 9761 1 1 6 CYS HB2 H 2.677 1.343 -5.284 1.00 . A A . 6 CYS HB2 1 1 14 9762 1 1 6 CYS HB3 H 3.128 0.024 -6.347 1.00 . A A . 6 CYS HB3 1 1 14 9763 1 1 6 CYS N N 1.398 -1.271 -5.062 1.00 . A A . 6 CYS N 1 1 14 9764 1 1 6 CYS O O -0.827 0.350 -7.137 1.00 . A A . 6 CYS O 1 1 14 9765 1 1 6 CYS SG S 2.137 1.844 -7.580 1.00 . A A . 6 CYS SG 1 1 14 9766 1 1 7 THR C C -0.070 -0.674 -9.944 1.00 . A A . 7 THR C 1 1 14 9767 1 1 7 THR CA C -0.176 -1.739 -8.851 1.00 . A A . 7 THR CA 1 1 14 9768 1 1 7 THR CB C -1.615 -2.020 -8.414 1.00 . A A . 7 THR CB 1 1 14 9769 1 1 7 THR CG2 C -2.503 -2.468 -9.577 1.00 . A A . 7 THR CG2 1 1 14 9770 1 1 7 THR H H 1.400 -1.879 -7.496 1.00 . A A . 7 THR H 1 1 14 9771 1 1 7 THR HA H 0.268 -2.651 -9.249 1.00 . A A . 7 THR HA 1 1 14 9772 1 1 7 THR HB H -2.044 -1.155 -7.908 1.00 . A A . 7 THR HB 1 1 14 9773 1 1 7 THR HG1 H -2.337 -3.284 -7.041 1.00 . A A . 7 THR HG1 1 1 14 9774 1 1 7 THR HG21 H -3.112 -1.628 -9.914 1.00 . A A . 7 THR HG21 1 1 14 9775 1 1 7 THR HG22 H -1.878 -2.816 -10.398 1.00 . A A . 7 THR HG22 1 1 14 9776 1 1 7 THR HG23 H -3.154 -3.278 -9.246 1.00 . A A . 7 THR HG23 1 1 14 9777 1 1 7 THR N N 0.579 -1.337 -7.677 1.00 . A A . 7 THR N 1 1 14 9778 1 1 7 THR O O -1.038 -0.410 -10.655 1.00 . A A . 7 THR O 1 1 14 9779 1 1 7 THR OG1 O -1.509 -3.179 -7.592 1.00 . A A . 7 THR OG1 1 1 14 9780 1 1 8 VAL C C 2.847 0.946 -11.404 1.00 . A A . 8 VAL C 1 1 14 9781 1 1 8 VAL CA C 1.361 0.940 -11.038 1.00 . A A . 8 VAL CA 1 1 14 9782 1 1 8 VAL CB C 0.866 2.293 -10.523 1.00 . A A . 8 VAL CB 1 1 14 9783 1 1 8 VAL CG1 C 0.515 3.226 -11.684 1.00 . A A . 8 VAL CG1 1 1 14 9784 1 1 8 VAL CG2 C -0.325 2.118 -9.580 1.00 . A A . 8 VAL CG2 1 1 14 9785 1 1 8 VAL H H 1.898 -0.311 -9.461 1.00 . A A . 8 VAL H 1 1 14 9786 1 1 8 VAL HA H 0.783 0.685 -11.926 1.00 . A A . 8 VAL HA 1 1 14 9787 1 1 8 VAL HB H 1.677 2.753 -9.957 1.00 . A A . 8 VAL HB 1 1 14 9788 1 1 8 VAL HG11 H 0.052 2.650 -12.485 1.00 . A A . 8 VAL HG11 1 1 14 9789 1 1 8 VAL HG12 H -0.180 3.991 -11.337 1.00 . A A . 8 VAL HG12 1 1 14 9790 1 1 8 VAL HG13 H 1.423 3.701 -12.056 1.00 . A A . 8 VAL HG13 1 1 14 9791 1 1 8 VAL HG21 H -1.181 1.742 -10.141 1.00 . A A . 8 VAL HG21 1 1 14 9792 1 1 8 VAL HG22 H -0.065 1.408 -8.794 1.00 . A A . 8 VAL HG22 1 1 14 9793 1 1 8 VAL HG23 H -0.578 3.079 -9.132 1.00 . A A . 8 VAL HG23 1 1 14 9794 1 1 8 VAL N N 1.116 -0.091 -10.044 1.00 . A A . 8 VAL N 1 1 14 9795 1 1 8 VAL O O 3.201 1.034 -12.578 1.00 . A A . 8 VAL O 1 1 14 9796 1 1 9 CYS C C 5.690 -0.397 -9.889 1.00 . A A . 9 CYS C 1 1 14 9797 1 1 9 CYS CA C 5.116 0.846 -10.573 1.00 . A A . 9 CYS CA 1 1 14 9798 1 1 9 CYS CB C 5.764 2.132 -10.056 1.00 . A A . 9 CYS CB 1 1 14 9799 1 1 9 CYS H H 3.381 0.781 -9.423 1.00 . A A . 9 CYS H 1 1 14 9800 1 1 9 CYS HA H 5.284 0.807 -11.649 1.00 . A A . 9 CYS HA 1 1 14 9801 1 1 9 CYS HB2 H 6.709 2.281 -10.578 1.00 . A A . 9 CYS HB2 1 1 14 9802 1 1 9 CYS HB3 H 5.122 2.974 -10.313 1.00 . A A . 9 CYS HB3 1 1 14 9803 1 1 9 CYS N N 3.677 0.852 -10.375 1.00 . A A . 9 CYS N 1 1 14 9804 1 1 9 CYS O O 6.454 -1.147 -10.495 1.00 . A A . 9 CYS O 1 1 14 9805 1 1 9 CYS SG S 6.078 2.162 -8.254 1.00 . A A . 9 CYS SG 1 1 14 9806 1 1 10 GLY C C 6.163 -1.292 -6.448 1.00 . A A . 10 GLY C 1 1 14 9807 1 1 10 GLY CA C 5.765 -1.716 -7.863 1.00 . A A . 10 GLY CA 1 1 14 9808 1 1 10 GLY H H 4.678 0.037 -8.150 1.00 . A A . 10 GLY H 1 1 14 9809 1 1 10 GLY HA2 H 4.981 -2.472 -7.814 1.00 . A A . 10 GLY HA2 1 1 14 9810 1 1 10 GLY HA3 H 6.619 -2.174 -8.363 1.00 . A A . 10 GLY HA3 1 1 14 9811 1 1 10 GLY N N 5.299 -0.577 -8.636 1.00 . A A . 10 GLY N 1 1 14 9812 1 1 10 GLY O O 7.222 -0.700 -6.247 1.00 . A A . 10 GLY O 1 1 14 9813 1 1 11 TYR C C 4.549 -1.987 -3.188 1.00 . A A . 11 TYR C 1 1 14 9814 1 1 11 TYR CA C 5.538 -1.272 -4.111 1.00 . A A . 11 TYR CA 1 1 14 9815 1 1 11 TYR CB C 5.320 0.238 -4.001 1.00 . A A . 11 TYR CB 1 1 14 9816 1 1 11 TYR CD1 C 6.734 0.739 -1.975 1.00 . A A . 11 TYR CD1 1 1 14 9817 1 1 11 TYR CD2 C 4.422 1.342 -1.920 1.00 . A A . 11 TYR CD2 1 1 14 9818 1 1 11 TYR CE1 C 6.902 1.259 -0.643 1.00 . A A . 11 TYR CE1 1 1 14 9819 1 1 11 TYR CE2 C 4.590 1.863 -0.587 1.00 . A A . 11 TYR CE2 1 1 14 9820 1 1 11 TYR CG C 5.498 0.791 -2.586 1.00 . A A . 11 TYR CG 1 1 14 9821 1 1 11 TYR CZ C 5.821 1.796 -0.015 1.00 . A A . 11 TYR CZ 1 1 14 9822 1 1 11 TYR H H 4.432 -2.093 -5.673 1.00 . A A . 11 TYR H 1 1 14 9823 1 1 11 TYR HA H 6.550 -1.589 -3.862 1.00 . A A . 11 TYR HA 1 1 14 9824 1 1 11 TYR HB2 H 6.016 0.745 -4.669 1.00 . A A . 11 TYR HB2 1 1 14 9825 1 1 11 TYR HB3 H 4.315 0.476 -4.349 1.00 . A A . 11 TYR HB3 1 1 14 9826 1 1 11 TYR HD1 H 7.584 0.304 -2.501 1.00 . A A . 11 TYR HD1 1 1 14 9827 1 1 11 TYR HD2 H 3.445 1.384 -2.402 1.00 . A A . 11 TYR HD2 1 1 14 9828 1 1 11 TYR HE1 H 7.873 1.224 -0.149 1.00 . A A . 11 TYR HE1 1 1 14 9829 1 1 11 TYR HE2 H 3.749 2.301 -0.050 1.00 . A A . 11 TYR HE2 1 1 14 9830 1 1 11 TYR HH H 6.491 3.146 1.213 1.00 . A A . 11 TYR HH 1 1 14 9831 1 1 11 TYR N N 5.291 -1.612 -5.502 1.00 . A A . 11 TYR N 1 1 14 9832 1 1 11 TYR O O 3.370 -1.640 -3.148 1.00 . A A . 11 TYR O 1 1 14 9833 1 1 11 TYR OH O 5.980 2.287 1.243 1.00 . A A . 11 TYR OH 1 1 14 9834 1 1 12 GLU C C 4.228 -3.075 -0.171 1.00 . A A . 12 GLU C 1 1 14 9835 1 1 12 GLU CA C 4.243 -3.739 -1.549 1.00 . A A . 12 GLU CA 1 1 14 9836 1 1 12 GLU CB C 4.728 -5.187 -1.455 1.00 . A A . 12 GLU CB 1 1 14 9837 1 1 12 GLU CD C 4.910 -7.093 -3.097 1.00 . A A . 12 GLU CD 1 1 14 9838 1 1 12 GLU CG C 3.969 -6.084 -2.435 1.00 . A A . 12 GLU CG 1 1 14 9839 1 1 12 GLU H H 6.026 -3.248 -2.508 1.00 . A A . 12 GLU H 1 1 14 9840 1 1 12 GLU HA H 3.240 -3.725 -1.977 1.00 . A A . 12 GLU HA 1 1 14 9841 1 1 12 GLU HB2 H 5.796 -5.231 -1.670 1.00 . A A . 12 GLU HB2 1 1 14 9842 1 1 12 GLU HB3 H 4.592 -5.555 -0.439 1.00 . A A . 12 GLU HB3 1 1 14 9843 1 1 12 GLU HE2 H 3.558 -8.129 -3.899 1.00 . A A . 12 GLU HE2 1 1 14 9844 1 1 12 GLU HG2 H 3.175 -6.614 -1.908 1.00 . A A . 12 GLU HG2 1 1 14 9845 1 1 12 GLU HG3 H 3.491 -5.472 -3.199 1.00 . A A . 12 GLU HG3 1 1 14 9846 1 1 12 GLU N N 5.066 -2.972 -2.469 1.00 . A A . 12 GLU N 1 1 14 9847 1 1 12 GLU O O 5.280 -2.854 0.427 1.00 . A A . 12 GLU O 1 1 14 9848 1 1 12 GLU OE1 O 6.043 -7.282 -2.630 1.00 . A A . 12 GLU OE1 1 1 14 9849 1 1 12 GLU OE2 O 4.426 -7.692 -4.132 1.00 . A A . 12 GLU OE2 1 1 14 9850 1 1 13 TYR C C 2.490 -3.171 2.661 1.00 . A A . 13 TYR C 1 1 14 9851 1 1 13 TYR CA C 2.858 -2.142 1.591 1.00 . A A . 13 TYR CA 1 1 14 9852 1 1 13 TYR CB C 1.702 -1.153 1.432 1.00 . A A . 13 TYR CB 1 1 14 9853 1 1 13 TYR CD1 C 0.061 -1.377 3.333 1.00 . A A . 13 TYR CD1 1 1 14 9854 1 1 13 TYR CD2 C 1.604 0.448 3.377 1.00 . A A . 13 TYR CD2 1 1 14 9855 1 1 13 TYR CE1 C -0.503 -0.930 4.581 1.00 . A A . 13 TYR CE1 1 1 14 9856 1 1 13 TYR CE2 C 1.040 0.895 4.624 1.00 . A A . 13 TYR CE2 1 1 14 9857 1 1 13 TYR CG C 1.103 -0.678 2.757 1.00 . A A . 13 TYR CG 1 1 14 9858 1 1 13 TYR CZ C 0.014 0.183 5.165 1.00 . A A . 13 TYR CZ 1 1 14 9859 1 1 13 TYR H H 2.173 -2.960 -0.198 1.00 . A A . 13 TYR H 1 1 14 9860 1 1 13 TYR HA H 3.805 -1.673 1.859 1.00 . A A . 13 TYR HA 1 1 14 9861 1 1 13 TYR HB2 H 2.053 -0.286 0.873 1.00 . A A . 13 TYR HB2 1 1 14 9862 1 1 13 TYR HB3 H 0.917 -1.620 0.837 1.00 . A A . 13 TYR HB3 1 1 14 9863 1 1 13 TYR HD1 H -0.335 -2.267 2.844 1.00 . A A . 13 TYR HD1 1 1 14 9864 1 1 13 TYR HD2 H 2.426 1.000 2.922 1.00 . A A . 13 TYR HD2 1 1 14 9865 1 1 13 TYR HE1 H -1.326 -1.473 5.046 1.00 . A A . 13 TYR HE1 1 1 14 9866 1 1 13 TYR HE2 H 1.426 1.783 5.125 1.00 . A A . 13 TYR HE2 1 1 14 9867 1 1 13 TYR HH H -0.284 -0.036 7.073 1.00 . A A . 13 TYR HH 1 1 14 9868 1 1 13 TYR N N 3.024 -2.776 0.294 1.00 . A A . 13 TYR N 1 1 14 9869 1 1 13 TYR O O 1.675 -4.060 2.419 1.00 . A A . 13 TYR O 1 1 14 9870 1 1 13 TYR OH O -0.518 0.605 6.343 1.00 . A A . 13 TYR OH 1 1 14 9871 1 1 14 ASP C C 2.000 -3.209 5.981 1.00 . A A . 14 ASP C 1 1 14 9872 1 1 14 ASP CA C 2.856 -3.922 4.931 1.00 . A A . 14 ASP CA 1 1 14 9873 1 1 14 ASP CB C 4.163 -4.352 5.600 1.00 . A A . 14 ASP CB 1 1 14 9874 1 1 14 ASP CG C 4.643 -5.759 5.235 1.00 . A A . 14 ASP CG 1 1 14 9875 1 1 14 ASP H H 3.770 -2.291 4.012 1.00 . A A . 14 ASP H 1 1 14 9876 1 1 14 ASP HA H 2.347 -4.779 4.491 1.00 . A A . 14 ASP HA 1 1 14 9877 1 1 14 ASP HB2 H 4.942 -3.638 5.333 1.00 . A A . 14 ASP HB2 1 1 14 9878 1 1 14 ASP HB3 H 4.036 -4.297 6.681 1.00 . A A . 14 ASP HB3 1 1 14 9879 1 1 14 ASP HD2 H 5.080 -7.383 6.081 1.00 . A A . 14 ASP HD2 1 1 14 9880 1 1 14 ASP N N 3.108 -3.017 3.823 1.00 . A A . 14 ASP N 1 1 14 9881 1 1 14 ASP O O 2.446 -2.243 6.598 1.00 . A A . 14 ASP O 1 1 14 9882 1 1 14 ASP OD1 O 5.237 -5.974 4.168 1.00 . A A . 14 ASP OD1 1 1 14 9883 1 1 14 ASP OD2 O 4.381 -6.669 6.111 1.00 . A A . 14 ASP OD2 1 1 14 9884 1 1 15 PRO C C 0.229 -3.529 8.549 1.00 . A A . 15 PRO C 1 1 14 9885 1 1 15 PRO CA C -0.166 -3.151 7.120 1.00 . A A . 15 PRO CA 1 1 14 9886 1 1 15 PRO CB C -1.534 -3.682 6.722 1.00 . A A . 15 PRO CB 1 1 14 9887 1 1 15 PRO CD C 0.194 -4.871 5.443 1.00 . A A . 15 PRO CD 1 1 14 9888 1 1 15 PRO CG C -1.272 -4.895 5.845 1.00 . A A . 15 PRO CG 1 1 14 9889 1 1 15 PRO HA H -0.130 -2.153 7.081 1.00 . A A . 15 PRO HA 1 1 14 9890 1 1 15 PRO HB2 H -2.118 -3.955 7.602 1.00 . A A . 15 PRO HB2 1 1 14 9891 1 1 15 PRO HB3 H -2.105 -2.926 6.183 1.00 . A A . 15 PRO HB3 1 1 14 9892 1 1 15 PRO HD2 H 0.696 -5.797 5.722 1.00 . A A . 15 PRO HD2 1 1 14 9893 1 1 15 PRO HD3 H 0.307 -4.760 4.364 1.00 . A A . 15 PRO HD3 1 1 14 9894 1 1 15 PRO HG2 H -1.505 -5.813 6.383 1.00 . A A . 15 PRO HG2 1 1 14 9895 1 1 15 PRO HG3 H -1.910 -4.872 4.962 1.00 . A A . 15 PRO HG3 1 1 14 9896 1 1 15 PRO N N 0.755 -3.727 6.156 1.00 . A A . 15 PRO N 1 1 14 9897 1 1 15 PRO O O 0.026 -2.749 9.479 1.00 . A A . 15 PRO O 1 1 14 9898 1 1 16 ALA C C 2.546 -4.566 10.352 1.00 . A A . 16 ALA C 1 1 14 9899 1 1 16 ALA CA C 1.211 -5.214 9.979 1.00 . A A . 16 ALA CA 1 1 14 9900 1 1 16 ALA CB C 1.293 -6.741 9.948 1.00 . A A . 16 ALA CB 1 1 14 9901 1 1 16 ALA H H 0.947 -5.351 7.918 1.00 . A A . 16 ALA H 1 1 14 9902 1 1 16 ALA HA H 0.457 -4.918 10.709 1.00 . A A . 16 ALA HA 1 1 14 9903 1 1 16 ALA HB1 H 0.296 -7.161 10.084 1.00 . A A . 16 ALA HB1 1 1 14 9904 1 1 16 ALA HB2 H 1.695 -7.064 8.987 1.00 . A A . 16 ALA HB2 1 1 14 9905 1 1 16 ALA HB3 H 1.946 -7.087 10.749 1.00 . A A . 16 ALA HB3 1 1 14 9906 1 1 16 ALA N N 0.786 -4.724 8.679 1.00 . A A . 16 ALA N 1 1 14 9907 1 1 16 ALA O O 3.032 -4.735 11.469 1.00 . A A . 16 ALA O 1 1 14 9908 1 1 17 GLU C C 4.267 -1.694 9.198 1.00 . A A . 17 GLU C 1 1 14 9909 1 1 17 GLU CA C 4.371 -3.165 9.607 1.00 . A A . 17 GLU CA 1 1 14 9910 1 1 17 GLU CB C 5.499 -3.867 8.849 1.00 . A A . 17 GLU CB 1 1 14 9911 1 1 17 GLU CD C 6.942 -4.048 10.909 1.00 . A A . 17 GLU CD 1 1 14 9912 1 1 17 GLU CG C 6.861 -3.543 9.467 1.00 . A A . 17 GLU CG 1 1 14 9913 1 1 17 GLU H H 2.701 -3.706 8.488 1.00 . A A . 17 GLU H 1 1 14 9914 1 1 17 GLU HA H 4.562 -3.238 10.678 1.00 . A A . 17 GLU HA 1 1 14 9915 1 1 17 GLU HB2 H 5.336 -4.944 8.863 1.00 . A A . 17 GLU HB2 1 1 14 9916 1 1 17 GLU HB3 H 5.488 -3.557 7.804 1.00 . A A . 17 GLU HB3 1 1 14 9917 1 1 17 GLU HE2 H 7.626 -3.316 12.504 1.00 . A A . 17 GLU HE2 1 1 14 9918 1 1 17 GLU HG2 H 7.652 -4.000 8.873 1.00 . A A . 17 GLU HG2 1 1 14 9919 1 1 17 GLU HG3 H 7.027 -2.466 9.446 1.00 . A A . 17 GLU HG3 1 1 14 9920 1 1 17 GLU N N 3.102 -3.838 9.394 1.00 . A A . 17 GLU N 1 1 14 9921 1 1 17 GLU O O 5.274 -1.060 8.885 1.00 . A A . 17 GLU O 1 1 14 9922 1 1 17 GLU OE1 O 7.013 -5.265 11.137 1.00 . A A . 17 GLU OE1 1 1 14 9923 1 1 17 GLU OE2 O 6.929 -3.126 11.812 1.00 . A A . 17 GLU OE2 1 1 14 9924 1 1 18 GLY C C 3.582 0.576 7.594 1.00 . A A . 18 GLY C 1 1 14 9925 1 1 18 GLY CA C 2.792 0.190 8.846 1.00 . A A . 18 GLY CA 1 1 14 9926 1 1 18 GLY H H 2.227 -1.717 9.467 1.00 . A A . 18 GLY H 1 1 14 9927 1 1 18 GLY HA2 H 1.726 0.336 8.667 1.00 . A A . 18 GLY HA2 1 1 14 9928 1 1 18 GLY HA3 H 3.070 0.844 9.672 1.00 . A A . 18 GLY HA3 1 1 14 9929 1 1 18 GLY N N 3.040 -1.194 9.212 1.00 . A A . 18 GLY N 1 1 14 9930 1 1 18 GLY O O 3.701 -0.217 6.661 1.00 . A A . 18 GLY O 1 1 14 9931 1 1 19 ASP C C 5.286 3.744 6.766 1.00 . A A . 19 ASP C 1 1 14 9932 1 1 19 ASP CA C 4.878 2.295 6.492 1.00 . A A . 19 ASP CA 1 1 14 9933 1 1 19 ASP CB C 4.058 2.271 5.201 1.00 . A A . 19 ASP CB 1 1 14 9934 1 1 19 ASP CG C 4.881 2.168 3.915 1.00 . A A . 19 ASP CG 1 1 14 9935 1 1 19 ASP H H 4.001 2.433 8.377 1.00 . A A . 19 ASP H 1 1 14 9936 1 1 19 ASP HA H 5.737 1.628 6.417 1.00 . A A . 19 ASP HA 1 1 14 9937 1 1 19 ASP HB2 H 3.369 1.428 5.242 1.00 . A A . 19 ASP HB2 1 1 14 9938 1 1 19 ASP HB3 H 3.453 3.176 5.156 1.00 . A A . 19 ASP HB3 1 1 14 9939 1 1 19 ASP HD2 H 5.342 3.981 4.136 1.00 . A A . 19 ASP HD2 1 1 14 9940 1 1 19 ASP N N 4.103 1.794 7.614 1.00 . A A . 19 ASP N 1 1 14 9941 1 1 19 ASP O O 4.441 4.582 7.078 1.00 . A A . 19 ASP O 1 1 14 9942 1 1 19 ASP OD1 O 5.155 1.065 3.419 1.00 . A A . 19 ASP OD1 1 1 14 9943 1 1 19 ASP OD2 O 5.249 3.297 3.412 1.00 . A A . 19 ASP OD2 1 1 14 9944 1 1 20 PRO C C 6.816 6.265 5.698 1.00 . A A . 20 PRO C 1 1 14 9945 1 1 20 PRO CA C 7.145 5.335 6.868 1.00 . A A . 20 PRO CA 1 1 14 9946 1 1 20 PRO CB C 8.638 5.136 7.066 1.00 . A A . 20 PRO CB 1 1 14 9947 1 1 20 PRO CD C 7.645 3.034 6.270 1.00 . A A . 20 PRO CD 1 1 14 9948 1 1 20 PRO CG C 8.958 3.770 6.482 1.00 . A A . 20 PRO CG 1 1 14 9949 1 1 20 PRO HA H 6.715 5.745 7.672 1.00 . A A . 20 PRO HA 1 1 14 9950 1 1 20 PRO HB2 H 9.207 5.919 6.564 1.00 . A A . 20 PRO HB2 1 1 14 9951 1 1 20 PRO HB3 H 8.901 5.180 8.123 1.00 . A A . 20 PRO HB3 1 1 14 9952 1 1 20 PRO HD2 H 7.534 2.712 5.235 1.00 . A A . 20 PRO HD2 1 1 14 9953 1 1 20 PRO HD3 H 7.587 2.140 6.891 1.00 . A A . 20 PRO HD3 1 1 14 9954 1 1 20 PRO HG2 H 9.494 3.874 5.538 1.00 . A A . 20 PRO HG2 1 1 14 9955 1 1 20 PRO HG3 H 9.606 3.209 7.156 1.00 . A A . 20 PRO HG3 1 1 14 9956 1 1 20 PRO N N 6.615 4.002 6.638 1.00 . A A . 20 PRO N 1 1 14 9957 1 1 20 PRO O O 6.010 5.922 4.835 1.00 . A A . 20 PRO O 1 1 14 9958 1 1 21 ASP C C 6.086 9.328 5.057 1.00 . A A . 21 ASP C 1 1 14 9959 1 1 21 ASP CA C 7.242 8.408 4.659 1.00 . A A . 21 ASP CA 1 1 14 9960 1 1 21 ASP CB C 6.874 7.730 3.338 1.00 . A A . 21 ASP CB 1 1 14 9961 1 1 21 ASP CG C 7.215 8.535 2.082 1.00 . A A . 21 ASP CG 1 1 14 9962 1 1 21 ASP H H 8.110 7.697 6.414 1.00 . A A . 21 ASP H 1 1 14 9963 1 1 21 ASP HA H 8.188 8.941 4.569 1.00 . A A . 21 ASP HA 1 1 14 9964 1 1 21 ASP HB2 H 7.384 6.769 3.285 1.00 . A A . 21 ASP HB2 1 1 14 9965 1 1 21 ASP HB3 H 5.804 7.523 3.338 1.00 . A A . 21 ASP HB3 1 1 14 9966 1 1 21 ASP HD2 H 8.672 7.370 1.822 1.00 . A A . 21 ASP HD2 1 1 14 9967 1 1 21 ASP N N 7.456 7.425 5.708 1.00 . A A . 21 ASP N 1 1 14 9968 1 1 21 ASP O O 6.103 10.519 4.751 1.00 . A A . 21 ASP O 1 1 14 9969 1 1 21 ASP OD1 O 6.410 9.349 1.606 1.00 . A A . 21 ASP OD1 1 1 14 9970 1 1 21 ASP OD2 O 8.380 8.295 1.581 1.00 . A A . 21 ASP OD2 1 1 14 9971 1 1 22 ASN C C 3.804 9.355 7.692 1.00 . A A . 22 ASN C 1 1 14 9972 1 1 22 ASN CA C 3.947 9.492 6.175 1.00 . A A . 22 ASN CA 1 1 14 9973 1 1 22 ASN CB C 2.667 8.959 5.528 1.00 . A A . 22 ASN CB 1 1 14 9974 1 1 22 ASN CG C 2.528 9.463 4.090 1.00 . A A . 22 ASN CG 1 1 14 9975 1 1 22 ASN H H 5.103 7.770 5.977 1.00 . A A . 22 ASN H 1 1 14 9976 1 1 22 ASN HA H 4.137 10.520 5.865 1.00 . A A . 22 ASN HA 1 1 14 9977 1 1 22 ASN HB2 H 2.678 7.869 5.536 1.00 . A A . 22 ASN HB2 1 1 14 9978 1 1 22 ASN HB3 H 1.802 9.274 6.113 1.00 . A A . 22 ASN HB3 1 1 14 9979 1 1 22 ASN HD21 H 3.991 8.172 3.547 1.00 . A A . 22 ASN HD21 1 1 14 9980 1 1 22 ASN HD22 H 3.340 9.137 2.264 1.00 . A A . 22 ASN HD22 1 1 14 9981 1 1 22 ASN N N 5.109 8.740 5.732 1.00 . A A . 22 ASN N 1 1 14 9982 1 1 22 ASN ND2 N 3.355 8.875 3.229 1.00 . A A . 22 ASN ND2 1 1 14 9983 1 1 22 ASN O O 3.467 10.319 8.377 1.00 . A A . 22 ASN O 1 1 14 9984 1 1 22 ASN OD1 O 1.724 10.327 3.783 1.00 . A A . 22 ASN OD1 1 1 14 9985 1 1 23 GLY C C 2.851 6.868 9.885 1.00 . A A . 23 GLY C 1 1 14 9986 1 1 23 GLY CA C 3.970 7.872 9.595 1.00 . A A . 23 GLY CA 1 1 14 9987 1 1 23 GLY H H 4.338 7.369 7.608 1.00 . A A . 23 GLY H 1 1 14 9988 1 1 23 GLY HA2 H 4.919 7.478 9.958 1.00 . A A . 23 GLY HA2 1 1 14 9989 1 1 23 GLY HA3 H 3.781 8.798 10.137 1.00 . A A . 23 GLY HA3 1 1 14 9990 1 1 23 GLY N N 4.066 8.148 8.172 1.00 . A A . 23 GLY N 1 1 14 9991 1 1 23 GLY O O 1.807 7.235 10.422 1.00 . A A . 23 GLY O 1 1 14 9992 1 1 24 VAL C C 2.715 3.535 10.705 1.00 . A A . 24 VAL C 1 1 14 9993 1 1 24 VAL CA C 2.137 4.563 9.730 1.00 . A A . 24 VAL CA 1 1 14 9994 1 1 24 VAL CB C 1.727 3.951 8.389 1.00 . A A . 24 VAL CB 1 1 14 9995 1 1 24 VAL CG1 C 0.909 2.674 8.596 1.00 . A A . 24 VAL CG1 1 1 14 9996 1 1 24 VAL CG2 C 0.958 4.962 7.536 1.00 . A A . 24 VAL CG2 1 1 14 9997 1 1 24 VAL H H 3.960 5.332 9.080 1.00 . A A . 24 VAL H 1 1 14 9998 1 1 24 VAL HA H 1.252 5.014 10.179 1.00 . A A . 24 VAL HA 1 1 14 9999 1 1 24 VAL HB H 2.636 3.682 7.851 1.00 . A A . 24 VAL HB 1 1 14 10000 1 1 24 VAL HG11 H 0.952 2.064 7.694 1.00 . A A . 24 VAL HG11 1 1 14 10001 1 1 24 VAL HG12 H 1.319 2.112 9.435 1.00 . A A . 24 VAL HG12 1 1 14 10002 1 1 24 VAL HG13 H -0.128 2.937 8.807 1.00 . A A . 24 VAL HG13 1 1 14 10003 1 1 24 VAL HG21 H -0.080 4.645 7.444 1.00 . A A . 24 VAL HG21 1 1 14 10004 1 1 24 VAL HG22 H 0.998 5.942 8.012 1.00 . A A . 24 VAL HG22 1 1 14 10005 1 1 24 VAL HG23 H 1.410 5.020 6.546 1.00 . A A . 24 VAL HG23 1 1 14 10006 1 1 24 VAL N N 3.108 5.622 9.516 1.00 . A A . 24 VAL N 1 1 14 10007 1 1 24 VAL O O 3.812 3.021 10.492 1.00 . A A . 24 VAL O 1 1 14 10008 1 1 25 LYS C C 2.016 0.895 12.297 1.00 . A A . 25 LYS C 1 1 14 10009 1 1 25 LYS CA C 2.373 2.309 12.761 1.00 . A A . 25 LYS CA 1 1 14 10010 1 1 25 LYS CB C 1.786 2.674 14.126 1.00 . A A . 25 LYS CB 1 1 14 10011 1 1 25 LYS CD C 0.140 1.344 15.497 1.00 . A A . 25 LYS CD 1 1 14 10012 1 1 25 LYS CE C -0.990 1.896 16.368 1.00 . A A . 25 LYS CE 1 1 14 10013 1 1 25 LYS CG C 0.336 2.200 14.245 1.00 . A A . 25 LYS CG 1 1 14 10014 1 1 25 LYS H H 1.059 3.688 11.918 1.00 . A A . 25 LYS H 1 1 14 10015 1 1 25 LYS HA H 3.457 2.381 12.846 1.00 . A A . 25 LYS HA 1 1 14 10016 1 1 25 LYS HB2 H 2.386 2.223 14.917 1.00 . A A . 25 LYS HB2 1 1 14 10017 1 1 25 LYS HB3 H 1.833 3.754 14.268 1.00 . A A . 25 LYS HB3 1 1 14 10018 1 1 25 LYS HD2 H -0.086 0.317 15.208 1.00 . A A . 25 LYS HD2 1 1 14 10019 1 1 25 LYS HD3 H 1.066 1.316 16.072 1.00 . A A . 25 LYS HD3 1 1 14 10020 1 1 25 LYS HE2 H -0.575 2.502 17.172 1.00 . A A . 25 LYS HE2 1 1 14 10021 1 1 25 LYS HE3 H -1.629 2.549 15.773 1.00 . A A . 25 LYS HE3 1 1 14 10022 1 1 25 LYS HG2 H -0.330 3.062 14.281 1.00 . A A . 25 LYS HG2 1 1 14 10023 1 1 25 LYS HG3 H 0.064 1.625 13.360 1.00 . A A . 25 LYS HG3 1 1 14 10024 1 1 25 LYS HZ1 H -1.327 0.344 17.718 1.00 . A A . 25 LYS HZ1 1 1 14 10025 1 1 25 LYS HZ3 H -1.980 0.065 16.252 1.00 . A A . 25 LYS HZ3 1 1 14 10026 1 1 25 LYS N N 1.950 3.266 11.753 1.00 . A A . 25 LYS N 1 1 14 10027 1 1 25 LYS NZ N -1.794 0.791 16.936 1.00 . A A . 25 LYS NZ 1 1 14 10028 1 1 25 LYS O O 1.216 0.723 11.378 1.00 . A A . 25 LYS O 1 1 14 10029 1 1 26 PRO C C 1.034 -1.957 13.156 1.00 . A A . 26 PRO C 1 1 14 10030 1 1 26 PRO CA C 2.398 -1.500 12.638 1.00 . A A . 26 PRO CA 1 1 14 10031 1 1 26 PRO CB C 3.556 -2.262 13.261 1.00 . A A . 26 PRO CB 1 1 14 10032 1 1 26 PRO CD C 3.594 0.060 14.065 1.00 . A A . 26 PRO CD 1 1 14 10033 1 1 26 PRO CG C 4.151 -1.333 14.308 1.00 . A A . 26 PRO CG 1 1 14 10034 1 1 26 PRO HA H 2.368 -1.619 11.645 1.00 . A A . 26 PRO HA 1 1 14 10035 1 1 26 PRO HB2 H 3.213 -3.192 13.714 1.00 . A A . 26 PRO HB2 1 1 14 10036 1 1 26 PRO HB3 H 4.299 -2.528 12.509 1.00 . A A . 26 PRO HB3 1 1 14 10037 1 1 26 PRO HD2 H 3.108 0.454 14.958 1.00 . A A . 26 PRO HD2 1 1 14 10038 1 1 26 PRO HD3 H 4.385 0.761 13.798 1.00 . A A . 26 PRO HD3 1 1 14 10039 1 1 26 PRO HG2 H 3.896 -1.676 15.311 1.00 . A A . 26 PRO HG2 1 1 14 10040 1 1 26 PRO HG3 H 5.238 -1.327 14.240 1.00 . A A . 26 PRO HG3 1 1 14 10041 1 1 26 PRO N N 2.642 -0.106 12.971 1.00 . A A . 26 PRO N 1 1 14 10042 1 1 26 PRO O O 0.587 -1.515 14.214 1.00 . A A . 26 PRO O 1 1 14 10043 1 1 27 GLY C C -2.016 -2.547 12.103 1.00 . A A . 27 GLY C 1 1 14 10044 1 1 27 GLY CA C -0.896 -3.359 12.756 1.00 . A A . 27 GLY CA 1 1 14 10045 1 1 27 GLY H H 0.779 -3.192 11.529 1.00 . A A . 27 GLY H 1 1 14 10046 1 1 27 GLY HA2 H -0.974 -4.403 12.450 1.00 . A A . 27 GLY HA2 1 1 14 10047 1 1 27 GLY HA3 H -1.009 -3.335 13.840 1.00 . A A . 27 GLY HA3 1 1 14 10048 1 1 27 GLY N N 0.409 -2.837 12.387 1.00 . A A . 27 GLY N 1 1 14 10049 1 1 27 GLY O O -3.193 -2.774 12.376 1.00 . A A . 27 GLY O 1 1 14 10050 1 1 28 THR C C -2.863 -1.328 9.167 1.00 . A A . 28 THR C 1 1 14 10051 1 1 28 THR CA C -2.564 -0.767 10.559 1.00 . A A . 28 THR CA 1 1 14 10052 1 1 28 THR CB C -2.002 0.655 10.533 1.00 . A A . 28 THR CB 1 1 14 10053 1 1 28 THR CG2 C -3.061 1.698 10.170 1.00 . A A . 28 THR CG2 1 1 14 10054 1 1 28 THR H H -0.650 -1.436 11.036 1.00 . A A . 28 THR H 1 1 14 10055 1 1 28 THR HA H -3.501 -0.778 11.116 1.00 . A A . 28 THR HA 1 1 14 10056 1 1 28 THR HB H -1.144 0.722 9.864 1.00 . A A . 28 THR HB 1 1 14 10057 1 1 28 THR HG1 H -1.409 1.885 11.996 1.00 . A A . 28 THR HG1 1 1 14 10058 1 1 28 THR HG21 H -3.875 1.215 9.628 1.00 . A A . 28 THR HG21 1 1 14 10059 1 1 28 THR HG22 H -3.451 2.151 11.082 1.00 . A A . 28 THR HG22 1 1 14 10060 1 1 28 THR HG23 H -2.613 2.468 9.543 1.00 . A A . 28 THR HG23 1 1 14 10061 1 1 28 THR N N -1.610 -1.615 11.253 1.00 . A A . 28 THR N 1 1 14 10062 1 1 28 THR O O -1.977 -1.874 8.511 1.00 . A A . 28 THR O 1 1 14 10063 1 1 28 THR OG1 O -1.695 0.932 11.897 1.00 . A A . 28 THR OG1 1 1 14 10064 1 1 29 SER C C -4.511 -0.517 6.438 1.00 . A A . 29 SER C 1 1 14 10065 1 1 29 SER CA C -4.540 -1.658 7.456 1.00 . A A . 29 SER CA 1 1 14 10066 1 1 29 SER CB C -5.940 -2.271 7.528 1.00 . A A . 29 SER CB 1 1 14 10067 1 1 29 SER H H -4.828 -0.729 9.298 1.00 . A A . 29 SER H 1 1 14 10068 1 1 29 SER HA H -3.820 -2.430 7.185 1.00 . A A . 29 SER HA 1 1 14 10069 1 1 29 SER HB2 H -6.136 -2.834 6.615 1.00 . A A . 29 SER HB2 1 1 14 10070 1 1 29 SER HB3 H -5.984 -2.979 8.355 1.00 . A A . 29 SER HB3 1 1 14 10071 1 1 29 SER HG H -6.540 -0.367 7.663 1.00 . A A . 29 SER HG 1 1 14 10072 1 1 29 SER N N -4.113 -1.174 8.758 1.00 . A A . 29 SER N 1 1 14 10073 1 1 29 SER O O -4.809 0.628 6.776 1.00 . A A . 29 SER O 1 1 14 10074 1 1 29 SER OG O -6.948 -1.279 7.699 1.00 . A A . 29 SER OG 1 1 14 10075 1 1 30 PHE C C -5.435 0.791 3.930 1.00 . A A . 30 PHE C 1 1 14 10076 1 1 30 PHE CA C -4.080 0.113 4.143 1.00 . A A . 30 PHE CA 1 1 14 10077 1 1 30 PHE CB C -3.694 -0.641 2.869 1.00 . A A . 30 PHE CB 1 1 14 10078 1 1 30 PHE CD1 C -4.317 0.949 1.038 1.00 . A A . 30 PHE CD1 1 1 14 10079 1 1 30 PHE CD2 C -2.042 0.396 1.298 1.00 . A A . 30 PHE CD2 1 1 14 10080 1 1 30 PHE CE1 C -3.986 1.793 -0.055 1.00 . A A . 30 PHE CE1 1 1 14 10081 1 1 30 PHE CE2 C -1.711 1.240 0.205 1.00 . A A . 30 PHE CE2 1 1 14 10082 1 1 30 PHE CG C -3.338 0.268 1.691 1.00 . A A . 30 PHE CG 1 1 14 10083 1 1 30 PHE CZ C -2.691 1.921 -0.449 1.00 . A A . 30 PHE CZ 1 1 14 10084 1 1 30 PHE H H -3.910 -1.802 4.946 1.00 . A A . 30 PHE H 1 1 14 10085 1 1 30 PHE HA H -3.344 0.861 4.439 1.00 . A A . 30 PHE HA 1 1 14 10086 1 1 30 PHE HB2 H -2.843 -1.288 3.085 1.00 . A A . 30 PHE HB2 1 1 14 10087 1 1 30 PHE HB3 H -4.521 -1.289 2.578 1.00 . A A . 30 PHE HB3 1 1 14 10088 1 1 30 PHE HD1 H -5.355 0.847 1.353 1.00 . A A . 30 PHE HD1 1 1 14 10089 1 1 30 PHE HD2 H -1.257 -0.150 1.822 1.00 . A A . 30 PHE HD2 1 1 14 10090 1 1 30 PHE HE1 H -4.771 2.338 -0.579 1.00 . A A . 30 PHE HE1 1 1 14 10091 1 1 30 PHE HE2 H -0.673 1.342 -0.110 1.00 . A A . 30 PHE HE2 1 1 14 10092 1 1 30 PHE HZ H -2.437 2.568 -1.288 1.00 . A A . 30 PHE HZ 1 1 14 10093 1 1 30 PHE N N -4.151 -0.868 5.213 1.00 . A A . 30 PHE N 1 1 14 10094 1 1 30 PHE O O -5.506 1.877 3.358 1.00 . A A . 30 PHE O 1 1 14 10095 1 1 31 ASP C C -8.017 1.801 5.251 1.00 . A A . 31 ASP C 1 1 14 10096 1 1 31 ASP CA C -7.825 0.644 4.268 1.00 . A A . 31 ASP CA 1 1 14 10097 1 1 31 ASP CB C -8.867 -0.428 4.592 1.00 . A A . 31 ASP CB 1 1 14 10098 1 1 31 ASP CG C -10.013 -0.542 3.585 1.00 . A A . 31 ASP CG 1 1 14 10099 1 1 31 ASP H H -6.409 -0.763 4.864 1.00 . A A . 31 ASP H 1 1 14 10100 1 1 31 ASP HA H -7.908 0.962 3.229 1.00 . A A . 31 ASP HA 1 1 14 10101 1 1 31 ASP HB2 H -8.364 -1.393 4.658 1.00 . A A . 31 ASP HB2 1 1 14 10102 1 1 31 ASP HB3 H -9.287 -0.220 5.576 1.00 . A A . 31 ASP HB3 1 1 14 10103 1 1 31 ASP HD2 H -11.532 0.532 3.878 1.00 . A A . 31 ASP HD2 1 1 14 10104 1 1 31 ASP N N -6.476 0.120 4.400 1.00 . A A . 31 ASP N 1 1 14 10105 1 1 31 ASP O O -9.033 2.493 5.210 1.00 . A A . 31 ASP O 1 1 14 10106 1 1 31 ASP OD1 O -9.790 -0.767 2.386 1.00 . A A . 31 ASP OD1 1 1 14 10107 1 1 31 ASP OD2 O -11.193 -0.386 4.082 1.00 . A A . 31 ASP OD2 1 1 14 10108 1 1 32 ASP C C -6.135 4.170 6.675 1.00 . A A . 32 ASP C 1 1 14 10109 1 1 32 ASP CA C -7.071 3.037 7.102 1.00 . A A . 32 ASP CA 1 1 14 10110 1 1 32 ASP CB C -6.608 2.533 8.471 1.00 . A A . 32 ASP CB 1 1 14 10111 1 1 32 ASP CG C -7.474 2.979 9.651 1.00 . A A . 32 ASP CG 1 1 14 10112 1 1 32 ASP H H -6.201 1.408 6.138 1.00 . A A . 32 ASP H 1 1 14 10113 1 1 32 ASP HA H -8.114 3.349 7.139 1.00 . A A . 32 ASP HA 1 1 14 10114 1 1 32 ASP HB2 H -6.582 1.443 8.450 1.00 . A A . 32 ASP HB2 1 1 14 10115 1 1 32 ASP HB3 H -5.587 2.873 8.641 1.00 . A A . 32 ASP HB3 1 1 14 10116 1 1 32 ASP HD2 H -8.186 4.690 9.987 1.00 . A A . 32 ASP HD2 1 1 14 10117 1 1 32 ASP N N -7.024 1.976 6.111 1.00 . A A . 32 ASP N 1 1 14 10118 1 1 32 ASP O O -6.202 5.272 7.217 1.00 . A A . 32 ASP O 1 1 14 10119 1 1 32 ASP OD1 O -8.265 2.194 10.195 1.00 . A A . 32 ASP OD1 1 1 14 10120 1 1 32 ASP OD2 O -7.311 4.206 10.014 1.00 . A A . 32 ASP OD2 1 1 14 10121 1 1 33 LEU C C -5.094 6.089 4.752 1.00 . A A . 33 LEU C 1 1 14 10122 1 1 33 LEU CA C -4.338 4.837 5.201 1.00 . A A . 33 LEU CA 1 1 14 10123 1 1 33 LEU CB C -3.464 4.220 4.107 1.00 . A A . 33 LEU CB 1 1 14 10124 1 1 33 LEU CD1 C -1.633 2.621 3.438 1.00 . A A . 33 LEU CD1 1 1 14 10125 1 1 33 LEU CD2 C -1.232 4.324 5.275 1.00 . A A . 33 LEU CD2 1 1 14 10126 1 1 33 LEU CG C -2.254 3.417 4.587 1.00 . A A . 33 LEU CG 1 1 14 10127 1 1 33 LEU H H -5.238 2.960 5.272 1.00 . A A . 33 LEU H 1 1 14 10128 1 1 33 LEU HA H -3.678 5.109 6.025 1.00 . A A . 33 LEU HA 1 1 14 10129 1 1 33 LEU HB2 H -4.089 3.568 3.495 1.00 . A A . 33 LEU HB2 1 1 14 10130 1 1 33 LEU HB3 H -3.109 5.021 3.458 1.00 . A A . 33 LEU HB3 1 1 14 10131 1 1 33 LEU HD11 H -1.342 3.303 2.639 1.00 . A A . 33 LEU HD11 1 1 14 10132 1 1 33 LEU HD12 H -0.753 2.088 3.799 1.00 . A A . 33 LEU HD12 1 1 14 10133 1 1 33 LEU HD13 H -2.361 1.905 3.056 1.00 . A A . 33 LEU HD13 1 1 14 10134 1 1 33 LEU HD21 H -0.468 3.712 5.754 1.00 . A A . 33 LEU HD21 1 1 14 10135 1 1 33 LEU HD22 H -0.766 4.973 4.534 1.00 . A A . 33 LEU HD22 1 1 14 10136 1 1 33 LEU HD23 H -1.734 4.933 6.026 1.00 . A A . 33 LEU HD23 1 1 14 10137 1 1 33 LEU HG H -2.596 2.696 5.330 1.00 . A A . 33 LEU HG 1 1 14 10138 1 1 33 LEU N N -5.285 3.859 5.707 1.00 . A A . 33 LEU N 1 1 14 10139 1 1 33 LEU O O -6.250 6.005 4.338 1.00 . A A . 33 LEU O 1 1 14 10140 1 1 34 PRO C C -5.051 8.646 2.936 1.00 . A A . 34 PRO C 1 1 14 10141 1 1 34 PRO CA C -4.987 8.517 4.459 1.00 . A A . 34 PRO CA 1 1 14 10142 1 1 34 PRO CB C -4.113 9.578 5.108 1.00 . A A . 34 PRO CB 1 1 14 10143 1 1 34 PRO CD C -3.024 7.387 5.336 1.00 . A A . 34 PRO CD 1 1 14 10144 1 1 34 PRO CG C -2.803 8.887 5.450 1.00 . A A . 34 PRO CG 1 1 14 10145 1 1 34 PRO HA H -5.934 8.571 4.778 1.00 . A A . 34 PRO HA 1 1 14 10146 1 1 34 PRO HB2 H -3.948 10.416 4.431 1.00 . A A . 34 PRO HB2 1 1 14 10147 1 1 34 PRO HB3 H -4.587 9.981 6.004 1.00 . A A . 34 PRO HB3 1 1 14 10148 1 1 34 PRO HD2 H -2.312 6.934 4.646 1.00 . A A . 34 PRO HD2 1 1 14 10149 1 1 34 PRO HD3 H -2.894 6.894 6.299 1.00 . A A . 34 PRO HD3 1 1 14 10150 1 1 34 PRO HG2 H -2.013 9.209 4.772 1.00 . A A . 34 PRO HG2 1 1 14 10151 1 1 34 PRO HG3 H -2.484 9.150 6.459 1.00 . A A . 34 PRO HG3 1 1 14 10152 1 1 34 PRO N N -4.394 7.250 4.851 1.00 . A A . 34 PRO N 1 1 14 10153 1 1 34 PRO O O -4.083 8.339 2.243 1.00 . A A . 34 PRO O 1 1 14 10154 1 1 35 ALA C C -5.166 9.930 0.421 1.00 . A A . 35 ALA C 1 1 14 10155 1 1 35 ALA CA C -6.405 9.272 1.032 1.00 . A A . 35 ALA CA 1 1 14 10156 1 1 35 ALA CB C -7.677 10.088 0.792 1.00 . A A . 35 ALA CB 1 1 14 10157 1 1 35 ALA H H -6.984 9.347 3.031 1.00 . A A . 35 ALA H 1 1 14 10158 1 1 35 ALA HA H -6.534 8.283 0.593 1.00 . A A . 35 ALA HA 1 1 14 10159 1 1 35 ALA HB1 H -7.720 10.395 -0.253 1.00 . A A . 35 ALA HB1 1 1 14 10160 1 1 35 ALA HB2 H -8.549 9.479 1.028 1.00 . A A . 35 ALA HB2 1 1 14 10161 1 1 35 ALA HB3 H -7.667 10.972 1.430 1.00 . A A . 35 ALA HB3 1 1 14 10162 1 1 35 ALA N N -6.202 9.100 2.460 1.00 . A A . 35 ALA N 1 1 14 10163 1 1 35 ALA O O -4.659 9.476 -0.603 1.00 . A A . 35 ALA O 1 1 14 10164 1 1 36 ASP C C -2.394 10.731 0.390 1.00 . A A . 36 ASP C 1 1 14 10165 1 1 36 ASP CA C -3.545 11.715 0.610 1.00 . A A . 36 ASP CA 1 1 14 10166 1 1 36 ASP CB C -3.091 12.750 1.641 1.00 . A A . 36 ASP CB 1 1 14 10167 1 1 36 ASP CG C -2.917 12.212 3.063 1.00 . A A . 36 ASP CG 1 1 14 10168 1 1 36 ASP H H -5.133 11.353 1.908 1.00 . A A . 36 ASP H 1 1 14 10169 1 1 36 ASP HA H -3.859 12.203 -0.313 1.00 . A A . 36 ASP HA 1 1 14 10170 1 1 36 ASP HB2 H -2.144 13.178 1.312 1.00 . A A . 36 ASP HB2 1 1 14 10171 1 1 36 ASP HB3 H -3.817 13.562 1.662 1.00 . A A . 36 ASP HB3 1 1 14 10172 1 1 36 ASP HD2 H -3.366 12.900 4.758 1.00 . A A . 36 ASP HD2 1 1 14 10173 1 1 36 ASP N N -4.714 10.990 1.076 1.00 . A A . 36 ASP N 1 1 14 10174 1 1 36 ASP O O -1.614 10.883 -0.549 1.00 . A A . 36 ASP O 1 1 14 10175 1 1 36 ASP OD1 O -1.979 11.453 3.348 1.00 . A A . 36 ASP OD1 1 1 14 10176 1 1 36 ASP OD2 O -3.807 12.609 3.909 1.00 . A A . 36 ASP OD2 1 1 14 10177 1 1 37 TRP C C -1.239 8.223 -0.256 1.00 . A A . 37 TRP C 1 1 14 10178 1 1 37 TRP CA C -1.283 8.735 1.185 1.00 . A A . 37 TRP CA 1 1 14 10179 1 1 37 TRP CB C -1.512 7.621 2.208 1.00 . A A . 37 TRP CB 1 1 14 10180 1 1 37 TRP CD1 C 0.581 6.539 3.260 1.00 . A A . 37 TRP CD1 1 1 14 10181 1 1 37 TRP CD2 C -0.060 5.557 1.380 1.00 . A A . 37 TRP CD2 1 1 14 10182 1 1 37 TRP CE2 C 1.058 4.888 1.834 1.00 . A A . 37 TRP CE2 1 1 14 10183 1 1 37 TRP CE3 C -0.713 5.173 0.196 1.00 . A A . 37 TRP CE3 1 1 14 10184 1 1 37 TRP CG C -0.359 6.621 2.308 1.00 . A A . 37 TRP CG 1 1 14 10185 1 1 37 TRP CH2 C 0.987 3.394 -0.017 1.00 . A A . 37 TRP CH2 1 1 14 10186 1 1 37 TRP CZ2 C 1.621 3.795 1.165 1.00 . A A . 37 TRP CZ2 1 1 14 10187 1 1 37 TRP CZ3 C -0.138 4.078 -0.461 1.00 . A A . 37 TRP CZ3 1 1 14 10188 1 1 37 TRP H H -2.964 9.628 2.031 1.00 . A A . 37 TRP H 1 1 14 10189 1 1 37 TRP HA H -0.337 9.211 1.441 1.00 . A A . 37 TRP HA 1 1 14 10190 1 1 37 TRP HB2 H -1.677 8.070 3.188 1.00 . A A . 37 TRP HB2 1 1 14 10191 1 1 37 TRP HB3 H -2.424 7.084 1.947 1.00 . A A . 37 TRP HB3 1 1 14 10192 1 1 37 TRP HD1 H 0.644 7.205 4.120 1.00 . A A . 37 TRP HD1 1 1 14 10193 1 1 37 TRP HE1 H 2.314 5.222 3.630 1.00 . A A . 37 TRP HE1 1 1 14 10194 1 1 37 TRP HE3 H -1.598 5.685 -0.184 1.00 . A A . 37 TRP HE3 1 1 14 10195 1 1 37 TRP HH2 H 1.375 2.549 -0.587 1.00 . A A . 37 TRP HH2 1 1 14 10196 1 1 37 TRP HZ2 H 2.506 3.283 1.545 1.00 . A A . 37 TRP HZ2 1 1 14 10197 1 1 37 TRP HZ3 H -0.606 3.739 -1.385 1.00 . A A . 37 TRP HZ3 1 1 14 10198 1 1 37 TRP N N -2.325 9.744 1.271 1.00 . A A . 37 TRP N 1 1 14 10199 1 1 37 TRP NE1 N 1.461 5.504 3.013 1.00 . A A . 37 TRP NE1 1 1 14 10200 1 1 37 TRP O O -2.278 8.057 -0.892 1.00 . A A . 37 TRP O 1 1 14 10201 1 1 38 VAL C C 1.538 6.820 -2.186 1.00 . A A . 38 VAL C 1 1 14 10202 1 1 38 VAL CA C 0.170 7.497 -2.084 1.00 . A A . 38 VAL CA 1 1 14 10203 1 1 38 VAL CB C -0.008 8.640 -3.084 1.00 . A A . 38 VAL CB 1 1 14 10204 1 1 38 VAL CG1 C -1.479 9.046 -3.197 1.00 . A A . 38 VAL CG1 1 1 14 10205 1 1 38 VAL CG2 C 0.864 9.840 -2.707 1.00 . A A . 38 VAL CG2 1 1 14 10206 1 1 38 VAL H H 0.817 8.124 -0.205 1.00 . A A . 38 VAL H 1 1 14 10207 1 1 38 VAL HA H -0.604 6.754 -2.278 1.00 . A A . 38 VAL HA 1 1 14 10208 1 1 38 VAL HB H 0.317 8.284 -4.062 1.00 . A A . 38 VAL HB 1 1 14 10209 1 1 38 VAL HG11 H -1.706 9.802 -2.445 1.00 . A A . 38 VAL HG11 1 1 14 10210 1 1 38 VAL HG12 H -1.669 9.453 -4.190 1.00 . A A . 38 VAL HG12 1 1 14 10211 1 1 38 VAL HG13 H -2.110 8.172 -3.036 1.00 . A A . 38 VAL HG13 1 1 14 10212 1 1 38 VAL HG21 H 0.569 10.705 -3.301 1.00 . A A . 38 VAL HG21 1 1 14 10213 1 1 38 VAL HG22 H 0.734 10.065 -1.648 1.00 . A A . 38 VAL HG22 1 1 14 10214 1 1 38 VAL HG23 H 1.910 9.604 -2.903 1.00 . A A . 38 VAL HG23 1 1 14 10215 1 1 38 VAL N N -0.024 7.987 -0.729 1.00 . A A . 38 VAL N 1 1 14 10216 1 1 38 VAL O O 2.483 7.216 -1.505 1.00 . A A . 38 VAL O 1 1 14 10217 1 1 39 CYS C C 4.002 6.069 -3.185 1.00 . A A . 39 CYS C 1 1 14 10218 1 1 39 CYS CA C 2.839 5.076 -3.243 1.00 . A A . 39 CYS CA 1 1 14 10219 1 1 39 CYS CB C 2.824 4.290 -4.555 1.00 . A A . 39 CYS CB 1 1 14 10220 1 1 39 CYS H H 0.828 5.496 -3.592 1.00 . A A . 39 CYS H 1 1 14 10221 1 1 39 CYS HA H 2.907 4.352 -2.431 1.00 . A A . 39 CYS HA 1 1 14 10222 1 1 39 CYS HB2 H 2.154 3.437 -4.444 1.00 . A A . 39 CYS HB2 1 1 14 10223 1 1 39 CYS HB3 H 2.405 4.924 -5.337 1.00 . A A . 39 CYS HB3 1 1 14 10224 1 1 39 CYS N N 1.601 5.811 -3.042 1.00 . A A . 39 CYS N 1 1 14 10225 1 1 39 CYS O O 4.239 6.808 -4.138 1.00 . A A . 39 CYS O 1 1 14 10226 1 1 39 CYS SG S 4.460 3.684 -5.106 1.00 . A A . 39 CYS SG 1 1 14 10227 1 1 40 PRO C C 7.063 6.462 -2.627 1.00 . A A . 40 PRO C 1 1 14 10228 1 1 40 PRO CA C 5.847 6.941 -1.832 1.00 . A A . 40 PRO CA 1 1 14 10229 1 1 40 PRO CB C 6.086 6.952 -0.331 1.00 . A A . 40 PRO CB 1 1 14 10230 1 1 40 PRO CD C 4.462 5.190 -0.876 1.00 . A A . 40 PRO CD 1 1 14 10231 1 1 40 PRO CG C 5.384 5.717 0.211 1.00 . A A . 40 PRO CG 1 1 14 10232 1 1 40 PRO HA H 5.635 7.855 -2.180 1.00 . A A . 40 PRO HA 1 1 14 10233 1 1 40 PRO HB2 H 7.151 6.926 -0.105 1.00 . A A . 40 PRO HB2 1 1 14 10234 1 1 40 PRO HB3 H 5.685 7.859 0.122 1.00 . A A . 40 PRO HB3 1 1 14 10235 1 1 40 PRO HD2 H 4.678 4.147 -1.108 1.00 . A A . 40 PRO HD2 1 1 14 10236 1 1 40 PRO HD3 H 3.418 5.238 -0.567 1.00 . A A . 40 PRO HD3 1 1 14 10237 1 1 40 PRO HG2 H 6.113 4.958 0.495 1.00 . A A . 40 PRO HG2 1 1 14 10238 1 1 40 PRO HG3 H 4.815 5.964 1.108 1.00 . A A . 40 PRO HG3 1 1 14 10239 1 1 40 PRO N N 4.714 6.052 -2.027 1.00 . A A . 40 PRO N 1 1 14 10240 1 1 40 PRO O O 8.175 6.423 -2.104 1.00 . A A . 40 PRO O 1 1 14 10241 1 1 41 VAL C C 7.717 6.281 -6.131 1.00 . A A . 41 VAL C 1 1 14 10242 1 1 41 VAL CA C 7.870 5.635 -4.752 1.00 . A A . 41 VAL CA 1 1 14 10243 1 1 41 VAL CB C 7.861 4.106 -4.803 1.00 . A A . 41 VAL CB 1 1 14 10244 1 1 41 VAL CG1 C 9.162 3.570 -5.403 1.00 . A A . 41 VAL CG1 1 1 14 10245 1 1 41 VAL CG2 C 7.611 3.513 -3.415 1.00 . A A . 41 VAL CG2 1 1 14 10246 1 1 41 VAL H H 5.902 6.145 -4.297 1.00 . A A . 41 VAL H 1 1 14 10247 1 1 41 VAL HA H 8.819 5.953 -4.319 1.00 . A A . 41 VAL HA 1 1 14 10248 1 1 41 VAL HB H 7.040 3.798 -5.452 1.00 . A A . 41 VAL HB 1 1 14 10249 1 1 41 VAL HG11 H 9.772 4.403 -5.752 1.00 . A A . 41 VAL HG11 1 1 14 10250 1 1 41 VAL HG12 H 9.709 3.012 -4.644 1.00 . A A . 41 VAL HG12 1 1 14 10251 1 1 41 VAL HG13 H 8.931 2.912 -6.242 1.00 . A A . 41 VAL HG13 1 1 14 10252 1 1 41 VAL HG21 H 8.526 3.568 -2.827 1.00 . A A . 41 VAL HG21 1 1 14 10253 1 1 41 VAL HG22 H 6.823 4.076 -2.916 1.00 . A A . 41 VAL HG22 1 1 14 10254 1 1 41 VAL HG23 H 7.305 2.471 -3.515 1.00 . A A . 41 VAL HG23 1 1 14 10255 1 1 41 VAL N N 6.810 6.110 -3.879 1.00 . A A . 41 VAL N 1 1 14 10256 1 1 41 VAL O O 8.656 6.887 -6.644 1.00 . A A . 41 VAL O 1 1 14 10257 1 1 42 CYS C C 5.235 7.830 -7.824 1.00 . A A . 42 CYS C 1 1 14 10258 1 1 42 CYS CA C 6.238 6.689 -8.000 1.00 . A A . 42 CYS CA 1 1 14 10259 1 1 42 CYS CB C 5.726 5.624 -8.972 1.00 . A A . 42 CYS CB 1 1 14 10260 1 1 42 CYS H H 5.768 5.634 -6.267 1.00 . A A . 42 CYS H 1 1 14 10261 1 1 42 CYS HA H 7.183 7.062 -8.396 1.00 . A A . 42 CYS HA 1 1 14 10262 1 1 42 CYS HB2 H 5.898 5.968 -9.991 1.00 . A A . 42 CYS HB2 1 1 14 10263 1 1 42 CYS HB3 H 6.316 4.717 -8.838 1.00 . A A . 42 CYS HB3 1 1 14 10264 1 1 42 CYS N N 6.526 6.129 -6.691 1.00 . A A . 42 CYS N 1 1 14 10265 1 1 42 CYS O O 5.311 8.842 -8.520 1.00 . A A . 42 CYS O 1 1 14 10266 1 1 42 CYS SG S 3.955 5.203 -8.786 1.00 . A A . 42 CYS SG 1 1 14 10267 1 1 43 GLY C C 1.902 8.090 -6.926 1.00 . A A . 43 GLY C 1 1 14 10268 1 1 43 GLY CA C 3.299 8.629 -6.614 1.00 . A A . 43 GLY CA 1 1 14 10269 1 1 43 GLY H H 4.262 6.804 -6.329 1.00 . A A . 43 GLY H 1 1 14 10270 1 1 43 GLY HA2 H 3.352 8.927 -5.567 1.00 . A A . 43 GLY HA2 1 1 14 10271 1 1 43 GLY HA3 H 3.490 9.522 -7.209 1.00 . A A . 43 GLY HA3 1 1 14 10272 1 1 43 GLY N N 4.317 7.629 -6.890 1.00 . A A . 43 GLY N 1 1 14 10273 1 1 43 GLY O O 0.952 8.859 -7.066 1.00 . A A . 43 GLY O 1 1 14 10274 1 1 44 ALA C C -0.429 6.390 -6.179 1.00 . A A . 44 ALA C 1 1 14 10275 1 1 44 ALA CA C 0.554 6.120 -7.320 1.00 . A A . 44 ALA CA 1 1 14 10276 1 1 44 ALA CB C 0.790 4.625 -7.545 1.00 . A A . 44 ALA CB 1 1 14 10277 1 1 44 ALA H H 2.597 6.152 -6.911 1.00 . A A . 44 ALA H 1 1 14 10278 1 1 44 ALA HA H 0.162 6.556 -8.238 1.00 . A A . 44 ALA HA 1 1 14 10279 1 1 44 ALA HB1 H -0.020 4.057 -7.087 1.00 . A A . 44 ALA HB1 1 1 14 10280 1 1 44 ALA HB2 H 0.818 4.419 -8.615 1.00 . A A . 44 ALA HB2 1 1 14 10281 1 1 44 ALA HB3 H 1.738 4.334 -7.094 1.00 . A A . 44 ALA HB3 1 1 14 10282 1 1 44 ALA N N 1.820 6.771 -7.026 1.00 . A A . 44 ALA N 1 1 14 10283 1 1 44 ALA O O -0.050 6.370 -5.009 1.00 . A A . 44 ALA O 1 1 14 10284 1 1 45 PRO C C -3.183 5.633 -4.882 1.00 . A A . 45 PRO C 1 1 14 10285 1 1 45 PRO CA C -2.748 6.916 -5.594 1.00 . A A . 45 PRO CA 1 1 14 10286 1 1 45 PRO CB C -3.871 7.565 -6.388 1.00 . A A . 45 PRO CB 1 1 14 10287 1 1 45 PRO CD C -2.193 6.675 -7.947 1.00 . A A . 45 PRO CD 1 1 14 10288 1 1 45 PRO CG C -3.612 7.210 -7.843 1.00 . A A . 45 PRO CG 1 1 14 10289 1 1 45 PRO HA H -2.402 7.522 -4.878 1.00 . A A . 45 PRO HA 1 1 14 10290 1 1 45 PRO HB2 H -4.843 7.195 -6.062 1.00 . A A . 45 PRO HB2 1 1 14 10291 1 1 45 PRO HB3 H -3.876 8.645 -6.244 1.00 . A A . 45 PRO HB3 1 1 14 10292 1 1 45 PRO HD2 H -2.176 5.682 -8.396 1.00 . A A . 45 PRO HD2 1 1 14 10293 1 1 45 PRO HD3 H -1.572 7.317 -8.571 1.00 . A A . 45 PRO HD3 1 1 14 10294 1 1 45 PRO HG2 H -4.328 6.463 -8.187 1.00 . A A . 45 PRO HG2 1 1 14 10295 1 1 45 PRO HG3 H -3.736 8.087 -8.478 1.00 . A A . 45 PRO HG3 1 1 14 10296 1 1 45 PRO N N -1.707 6.643 -6.570 1.00 . A A . 45 PRO N 1 1 14 10297 1 1 45 PRO O O -3.236 4.567 -5.494 1.00 . A A . 45 PRO O 1 1 14 10298 1 1 46 LYS C C -5.135 3.999 -3.450 1.00 . A A . 46 LYS C 1 1 14 10299 1 1 46 LYS CA C -3.911 4.645 -2.799 1.00 . A A . 46 LYS CA 1 1 14 10300 1 1 46 LYS CB C -4.140 5.071 -1.347 1.00 . A A . 46 LYS CB 1 1 14 10301 1 1 46 LYS CD C -6.522 4.677 -0.619 1.00 . A A . 46 LYS CD 1 1 14 10302 1 1 46 LYS CE C -6.447 4.608 0.908 1.00 . A A . 46 LYS CE 1 1 14 10303 1 1 46 LYS CG C -5.525 5.697 -1.172 1.00 . A A . 46 LYS CG 1 1 14 10304 1 1 46 LYS H H -3.436 6.649 -3.110 1.00 . A A . 46 LYS H 1 1 14 10305 1 1 46 LYS HA H -3.097 3.920 -2.797 1.00 . A A . 46 LYS HA 1 1 14 10306 1 1 46 LYS HB2 H -4.042 4.207 -0.690 1.00 . A A . 46 LYS HB2 1 1 14 10307 1 1 46 LYS HB3 H -3.374 5.786 -1.049 1.00 . A A . 46 LYS HB3 1 1 14 10308 1 1 46 LYS HD2 H -7.533 4.948 -0.924 1.00 . A A . 46 LYS HD2 1 1 14 10309 1 1 46 LYS HD3 H -6.315 3.694 -1.041 1.00 . A A . 46 LYS HD3 1 1 14 10310 1 1 46 LYS HE2 H -6.721 3.610 1.247 1.00 . A A . 46 LYS HE2 1 1 14 10311 1 1 46 LYS HE3 H -5.422 4.785 1.235 1.00 . A A . 46 LYS HE3 1 1 14 10312 1 1 46 LYS HG2 H -5.460 6.550 -0.496 1.00 . A A . 46 LYS HG2 1 1 14 10313 1 1 46 LYS HG3 H -5.881 6.076 -2.130 1.00 . A A . 46 LYS HG3 1 1 14 10314 1 1 46 LYS HZ1 H -8.289 5.554 1.142 1.00 . A A . 46 LYS HZ1 1 1 14 10315 1 1 46 LYS HZ3 H -7.026 6.559 1.357 1.00 . A A . 46 LYS HZ3 1 1 14 10316 1 1 46 LYS N N -3.483 5.779 -3.600 1.00 . A A . 46 LYS N 1 1 14 10317 1 1 46 LYS NZ N -7.349 5.611 1.517 1.00 . A A . 46 LYS NZ 1 1 14 10318 1 1 46 LYS O O -5.477 2.858 -3.142 1.00 . A A . 46 LYS O 1 1 14 10319 1 1 47 SER C C -6.528 3.307 -6.152 1.00 . A A . 47 SER C 1 1 14 10320 1 1 47 SER CA C -6.940 4.271 -5.038 1.00 . A A . 47 SER CA 1 1 14 10321 1 1 47 SER CB C -7.755 5.430 -5.613 1.00 . A A . 47 SER CB 1 1 14 10322 1 1 47 SER H H -5.476 5.682 -4.585 1.00 . A A . 47 SER H 1 1 14 10323 1 1 47 SER HA H -7.530 3.752 -4.282 1.00 . A A . 47 SER HA 1 1 14 10324 1 1 47 SER HB2 H -7.277 6.374 -5.351 1.00 . A A . 47 SER HB2 1 1 14 10325 1 1 47 SER HB3 H -7.759 5.366 -6.701 1.00 . A A . 47 SER HB3 1 1 14 10326 1 1 47 SER HG H -9.394 4.492 -4.950 1.00 . A A . 47 SER HG 1 1 14 10327 1 1 47 SER N N -5.761 4.755 -4.340 1.00 . A A . 47 SER N 1 1 14 10328 1 1 47 SER O O -7.356 2.556 -6.666 1.00 . A A . 47 SER O 1 1 14 10329 1 1 47 SER OG O -9.097 5.429 -5.133 1.00 . A A . 47 SER OG 1 1 14 10330 1 1 48 GLU C C -3.958 1.323 -6.922 1.00 . A A . 48 GLU C 1 1 14 10331 1 1 48 GLU CA C -4.718 2.500 -7.538 1.00 . A A . 48 GLU CA 1 1 14 10332 1 1 48 GLU CB C -3.822 3.289 -8.495 1.00 . A A . 48 GLU CB 1 1 14 10333 1 1 48 GLU CD C -3.769 4.910 -10.426 1.00 . A A . 48 GLU CD 1 1 14 10334 1 1 48 GLU CG C -4.656 4.192 -9.407 1.00 . A A . 48 GLU CG 1 1 14 10335 1 1 48 GLU H H -4.582 3.972 -6.071 1.00 . A A . 48 GLU H 1 1 14 10336 1 1 48 GLU HA H -5.588 2.134 -8.083 1.00 . A A . 48 GLU HA 1 1 14 10337 1 1 48 GLU HB2 H -3.118 3.894 -7.924 1.00 . A A . 48 GLU HB2 1 1 14 10338 1 1 48 GLU HB3 H -3.233 2.600 -9.099 1.00 . A A . 48 GLU HB3 1 1 14 10339 1 1 48 GLU HE2 H -3.200 6.679 -10.123 1.00 . A A . 48 GLU HE2 1 1 14 10340 1 1 48 GLU HG2 H -5.405 3.595 -9.928 1.00 . A A . 48 GLU HG2 1 1 14 10341 1 1 48 GLU HG3 H -5.193 4.925 -8.806 1.00 . A A . 48 GLU HG3 1 1 14 10342 1 1 48 GLU N N -5.249 3.359 -6.494 1.00 . A A . 48 GLU N 1 1 14 10343 1 1 48 GLU O O -3.107 0.720 -7.573 1.00 . A A . 48 GLU O 1 1 14 10344 1 1 48 GLU OE1 O -2.937 4.269 -11.085 1.00 . A A . 48 GLU OE1 1 1 14 10345 1 1 48 GLU OE2 O -3.969 6.181 -10.523 1.00 . A A . 48 GLU OE2 1 1 14 10346 1 1 49 PHE C C -4.586 -1.273 -4.867 1.00 . A A . 49 PHE C 1 1 14 10347 1 1 49 PHE CA C -3.655 -0.063 -4.963 1.00 . A A . 49 PHE CA 1 1 14 10348 1 1 49 PHE CB C -3.346 0.441 -3.551 1.00 . A A . 49 PHE CB 1 1 14 10349 1 1 49 PHE CD1 C -1.560 2.170 -3.858 1.00 . A A . 49 PHE CD1 1 1 14 10350 1 1 49 PHE CD2 C -0.996 0.183 -2.726 1.00 . A A . 49 PHE CD2 1 1 14 10351 1 1 49 PHE CE1 C -0.232 2.642 -3.691 1.00 . A A . 49 PHE CE1 1 1 14 10352 1 1 49 PHE CE2 C 0.332 0.655 -2.559 1.00 . A A . 49 PHE CE2 1 1 14 10353 1 1 49 PHE CG C -1.915 0.950 -3.372 1.00 . A A . 49 PHE CG 1 1 14 10354 1 1 49 PHE CZ C 0.687 1.875 -3.045 1.00 . A A . 49 PHE CZ 1 1 14 10355 1 1 49 PHE H H -4.988 1.527 -5.151 1.00 . A A . 49 PHE H 1 1 14 10356 1 1 49 PHE HA H -2.763 -0.336 -5.526 1.00 . A A . 49 PHE HA 1 1 14 10357 1 1 49 PHE HB2 H -4.040 1.244 -3.303 1.00 . A A . 49 PHE HB2 1 1 14 10358 1 1 49 PHE HB3 H -3.526 -0.366 -2.841 1.00 . A A . 49 PHE HB3 1 1 14 10359 1 1 49 PHE HD1 H -2.296 2.785 -4.376 1.00 . A A . 49 PHE HD1 1 1 14 10360 1 1 49 PHE HD2 H -1.280 -0.795 -2.336 1.00 . A A . 49 PHE HD2 1 1 14 10361 1 1 49 PHE HE1 H 0.052 3.619 -4.081 1.00 . A A . 49 PHE HE1 1 1 14 10362 1 1 49 PHE HE2 H 1.068 0.040 -2.041 1.00 . A A . 49 PHE HE2 1 1 14 10363 1 1 49 PHE HZ H 1.707 2.237 -2.917 1.00 . A A . 49 PHE HZ 1 1 14 10364 1 1 49 PHE N N -4.294 1.031 -5.674 1.00 . A A . 49 PHE N 1 1 14 10365 1 1 49 PHE O O -5.766 -1.130 -4.549 1.00 . A A . 49 PHE O 1 1 14 10366 1 1 50 GLU C C -4.074 -4.702 -4.219 1.00 . A A . 50 GLU C 1 1 14 10367 1 1 50 GLU CA C -4.785 -3.672 -5.098 1.00 . A A . 50 GLU CA 1 1 14 10368 1 1 50 GLU CB C -5.027 -4.225 -6.504 1.00 . A A . 50 GLU CB 1 1 14 10369 1 1 50 GLU CD C -6.353 -6.012 -7.692 1.00 . A A . 50 GLU CD 1 1 14 10370 1 1 50 GLU CG C -5.533 -5.668 -6.447 1.00 . A A . 50 GLU CG 1 1 14 10371 1 1 50 GLU H H -3.061 -2.546 -5.406 1.00 . A A . 50 GLU H 1 1 14 10372 1 1 50 GLU HA H -5.742 -3.402 -4.651 1.00 . A A . 50 GLU HA 1 1 14 10373 1 1 50 GLU HB2 H -5.755 -3.601 -7.024 1.00 . A A . 50 GLU HB2 1 1 14 10374 1 1 50 GLU HB3 H -4.102 -4.183 -7.080 1.00 . A A . 50 GLU HB3 1 1 14 10375 1 1 50 GLU HE2 H -6.926 -7.764 -8.078 1.00 . A A . 50 GLU HE2 1 1 14 10376 1 1 50 GLU HG2 H -4.687 -6.350 -6.363 1.00 . A A . 50 GLU HG2 1 1 14 10377 1 1 50 GLU HG3 H -6.144 -5.807 -5.555 1.00 . A A . 50 GLU HG3 1 1 14 10378 1 1 50 GLU N N -4.021 -2.438 -5.148 1.00 . A A . 50 GLU N 1 1 14 10379 1 1 50 GLU O O -2.845 -4.727 -4.156 1.00 . A A . 50 GLU O 1 1 14 10380 1 1 50 GLU OE1 O -6.171 -5.385 -8.746 1.00 . A A . 50 GLU OE1 1 1 14 10381 1 1 50 GLU OE2 O -7.203 -6.969 -7.538 1.00 . A A . 50 GLU OE2 1 1 14 10382 1 1 51 ALA C C -3.918 -7.765 -3.531 1.00 . A A . 51 ALA C 1 1 14 10383 1 1 51 ALA CA C -4.337 -6.557 -2.690 1.00 . A A . 51 ALA CA 1 1 14 10384 1 1 51 ALA CB C -5.376 -6.920 -1.627 1.00 . A A . 51 ALA CB 1 1 14 10385 1 1 51 ALA H H -5.873 -5.501 -3.620 1.00 . A A . 51 ALA H 1 1 14 10386 1 1 51 ALA HA H -3.458 -6.147 -2.195 1.00 . A A . 51 ALA HA 1 1 14 10387 1 1 51 ALA HB1 H -4.869 -7.230 -0.713 1.00 . A A . 51 ALA HB1 1 1 14 10388 1 1 51 ALA HB2 H -6.001 -6.052 -1.419 1.00 . A A . 51 ALA HB2 1 1 14 10389 1 1 51 ALA HB3 H -5.999 -7.737 -1.992 1.00 . A A . 51 ALA HB3 1 1 14 10390 1 1 51 ALA N N -4.875 -5.528 -3.563 1.00 . A A . 51 ALA N 1 1 14 10391 1 1 51 ALA O O -4.750 -8.385 -4.192 1.00 . A A . 51 ALA O 1 1 14 10392 1 1 52 ALA C C -2.614 -10.491 -3.631 1.00 . A A . 52 ALA C 1 1 14 10393 1 1 52 ALA CA C -2.088 -9.184 -4.228 1.00 . A A . 52 ALA CA 1 1 14 10394 1 1 52 ALA CB C -0.559 -9.114 -4.222 1.00 . A A . 52 ALA CB 1 1 14 10395 1 1 52 ALA H H -1.958 -7.553 -2.939 1.00 . A A . 52 ALA H 1 1 14 10396 1 1 52 ALA HA H -2.439 -9.097 -5.256 1.00 . A A . 52 ALA HA 1 1 14 10397 1 1 52 ALA HB1 H -0.239 -8.208 -3.707 1.00 . A A . 52 ALA HB1 1 1 14 10398 1 1 52 ALA HB2 H -0.158 -9.986 -3.705 1.00 . A A . 52 ALA HB2 1 1 14 10399 1 1 52 ALA HB3 H -0.192 -9.098 -5.248 1.00 . A A . 52 ALA HB3 1 1 14 10400 1 1 52 ALA N N -2.628 -8.062 -3.479 1.00 . A A . 52 ALA N 1 1 14 10401 1 1 52 ALA O O -1.926 -11.510 -3.655 1.00 . A A . 52 ALA O 1 1 14 10402 2 2 1 NI NI NI 4.083 3.225 -7.426 1.00 . B A . 53 NI NI 1 1 15 10403 1 1 1 MET C C -4.647 -10.242 1.878 1.00 . A A . 1 MET C 1 1 15 10404 1 1 1 MET CA C -5.367 -11.583 1.720 1.00 . A A . 1 MET CA 1 1 15 10405 1 1 1 MET CB C -6.514 -11.669 2.729 1.00 . A A . 1 MET CB 1 1 15 10406 1 1 1 MET CE C -9.892 -9.293 2.653 1.00 . A A . 1 MET CE 1 1 15 10407 1 1 1 MET CG C -7.757 -10.943 2.210 1.00 . A A . 1 MET CG 1 1 15 10408 1 1 1 MET H1 H -3.705 -12.754 1.268 1.00 . A A . 1 MET H1 1 1 15 10409 1 1 1 MET HA H -5.729 -11.691 0.697 1.00 . A A . 1 MET HA 1 1 15 10410 1 1 1 MET HB2 H -6.753 -12.714 2.924 1.00 . A A . 1 MET HB2 1 1 15 10411 1 1 1 MET HB3 H -6.202 -11.231 3.677 1.00 . A A . 1 MET HB3 1 1 15 10412 1 1 1 MET HE1 H -9.877 -9.624 1.615 1.00 . A A . 1 MET HE1 1 1 15 10413 1 1 1 MET HE2 H -10.847 -9.557 3.106 1.00 . A A . 1 MET HE2 1 1 15 10414 1 1 1 MET HE3 H -9.758 -8.212 2.692 1.00 . A A . 1 MET HE3 1 1 15 10415 1 1 1 MET HG2 H -7.475 -10.234 1.432 1.00 . A A . 1 MET HG2 1 1 15 10416 1 1 1 MET HG3 H -8.442 -11.659 1.756 1.00 . A A . 1 MET HG3 1 1 15 10417 1 1 1 MET N N -4.452 -12.692 1.929 1.00 . A A . 1 MET N 1 1 15 10418 1 1 1 MET O O -4.579 -9.455 0.935 1.00 . A A . 1 MET O 1 1 15 10419 1 1 1 MET SD S -8.568 -10.088 3.550 1.00 . A A . 1 MET SD 1 1 15 10420 1 1 2 LYS C C -2.281 -8.609 2.363 1.00 . A A . 2 LYS C 1 1 15 10421 1 1 2 LYS CA C -3.418 -8.790 3.371 1.00 . A A . 2 LYS CA 1 1 15 10422 1 1 2 LYS CB C -2.955 -8.773 4.829 1.00 . A A . 2 LYS CB 1 1 15 10423 1 1 2 LYS CD C -4.316 -6.760 5.506 1.00 . A A . 2 LYS CD 1 1 15 10424 1 1 2 LYS CE C -5.809 -6.440 5.592 1.00 . A A . 2 LYS CE 1 1 15 10425 1 1 2 LYS CG C -4.059 -8.249 5.749 1.00 . A A . 2 LYS CG 1 1 15 10426 1 1 2 LYS H H -4.190 -10.667 3.839 1.00 . A A . 2 LYS H 1 1 15 10427 1 1 2 LYS HA H -4.123 -7.968 3.247 1.00 . A A . 2 LYS HA 1 1 15 10428 1 1 2 LYS HB2 H -2.668 -9.778 5.136 1.00 . A A . 2 LYS HB2 1 1 15 10429 1 1 2 LYS HB3 H -2.068 -8.146 4.926 1.00 . A A . 2 LYS HB3 1 1 15 10430 1 1 2 LYS HD2 H -3.770 -6.169 6.242 1.00 . A A . 2 LYS HD2 1 1 15 10431 1 1 2 LYS HD3 H -3.935 -6.478 4.524 1.00 . A A . 2 LYS HD3 1 1 15 10432 1 1 2 LYS HE2 H -6.261 -7.001 6.410 1.00 . A A . 2 LYS HE2 1 1 15 10433 1 1 2 LYS HE3 H -5.948 -5.382 5.816 1.00 . A A . 2 LYS HE3 1 1 15 10434 1 1 2 LYS HG2 H -4.977 -8.812 5.579 1.00 . A A . 2 LYS HG2 1 1 15 10435 1 1 2 LYS HG3 H -3.776 -8.408 6.790 1.00 . A A . 2 LYS HG3 1 1 15 10436 1 1 2 LYS HZ1 H -6.051 -7.567 3.856 1.00 . A A . 2 LYS HZ1 1 1 15 10437 1 1 2 LYS HZ3 H -6.466 -6.004 3.663 1.00 . A A . 2 LYS HZ3 1 1 15 10438 1 1 2 LYS N N -4.129 -10.022 3.077 1.00 . A A . 2 LYS N 1 1 15 10439 1 1 2 LYS NZ N -6.486 -6.777 4.319 1.00 . A A . 2 LYS NZ 1 1 15 10440 1 1 2 LYS O O -2.206 -9.333 1.371 1.00 . A A . 2 LYS O 1 1 15 10441 1 1 3 LYS C C -0.810 -6.987 0.390 1.00 . A A . 3 LYS C 1 1 15 10442 1 1 3 LYS CA C -0.296 -7.356 1.782 1.00 . A A . 3 LYS CA 1 1 15 10443 1 1 3 LYS CB C 0.690 -8.527 1.784 1.00 . A A . 3 LYS CB 1 1 15 10444 1 1 3 LYS CD C 2.514 -7.772 3.352 1.00 . A A . 3 LYS CD 1 1 15 10445 1 1 3 LYS CE C 3.831 -8.551 3.341 1.00 . A A . 3 LYS CE 1 1 15 10446 1 1 3 LYS CG C 1.320 -8.711 3.165 1.00 . A A . 3 LYS CG 1 1 15 10447 1 1 3 LYS H H -1.493 -7.057 3.461 1.00 . A A . 3 LYS H 1 1 15 10448 1 1 3 LYS HA H 0.227 -6.494 2.197 1.00 . A A . 3 LYS HA 1 1 15 10449 1 1 3 LYS HB2 H 0.174 -9.441 1.490 1.00 . A A . 3 LYS HB2 1 1 15 10450 1 1 3 LYS HB3 H 1.470 -8.350 1.044 1.00 . A A . 3 LYS HB3 1 1 15 10451 1 1 3 LYS HD2 H 2.523 -7.026 2.558 1.00 . A A . 3 LYS HD2 1 1 15 10452 1 1 3 LYS HD3 H 2.414 -7.234 4.295 1.00 . A A . 3 LYS HD3 1 1 15 10453 1 1 3 LYS HE2 H 4.084 -8.864 4.354 1.00 . A A . 3 LYS HE2 1 1 15 10454 1 1 3 LYS HE3 H 3.719 -9.458 2.746 1.00 . A A . 3 LYS HE3 1 1 15 10455 1 1 3 LYS HG2 H 0.576 -8.516 3.938 1.00 . A A . 3 LYS HG2 1 1 15 10456 1 1 3 LYS HG3 H 1.643 -9.745 3.287 1.00 . A A . 3 LYS HG3 1 1 15 10457 1 1 3 LYS HZ1 H 4.634 -6.755 2.654 1.00 . A A . 3 LYS HZ1 1 1 15 10458 1 1 3 LYS HZ3 H 5.237 -8.057 1.884 1.00 . A A . 3 LYS HZ3 1 1 15 10459 1 1 3 LYS N N -1.425 -7.641 2.651 1.00 . A A . 3 LYS N 1 1 15 10460 1 1 3 LYS NZ N 4.921 -7.718 2.786 1.00 . A A . 3 LYS NZ 1 1 15 10461 1 1 3 LYS O O -1.297 -7.846 -0.344 1.00 . A A . 3 LYS O 1 1 15 10462 1 1 4 TYR C C 0.061 -4.868 -2.120 1.00 . A A . 4 TYR C 1 1 15 10463 1 1 4 TYR CA C -1.131 -5.215 -1.225 1.00 . A A . 4 TYR CA 1 1 15 10464 1 1 4 TYR CB C -1.926 -3.940 -0.937 1.00 . A A . 4 TYR CB 1 1 15 10465 1 1 4 TYR CD1 C -1.795 -3.546 1.549 1.00 . A A . 4 TYR CD1 1 1 15 10466 1 1 4 TYR CD2 C -3.891 -4.221 0.617 1.00 . A A . 4 TYR CD2 1 1 15 10467 1 1 4 TYR CE1 C -2.390 -3.510 2.860 1.00 . A A . 4 TYR CE1 1 1 15 10468 1 1 4 TYR CE2 C -4.486 -4.185 1.928 1.00 . A A . 4 TYR CE2 1 1 15 10469 1 1 4 TYR CG C -2.558 -3.901 0.455 1.00 . A A . 4 TYR CG 1 1 15 10470 1 1 4 TYR CZ C -3.706 -3.831 2.985 1.00 . A A . 4 TYR CZ 1 1 15 10471 1 1 4 TYR H H -0.287 -5.016 0.669 1.00 . A A . 4 TYR H 1 1 15 10472 1 1 4 TYR HA H -1.717 -6.001 -1.701 1.00 . A A . 4 TYR HA 1 1 15 10473 1 1 4 TYR HB2 H -1.266 -3.079 -1.050 1.00 . A A . 4 TYR HB2 1 1 15 10474 1 1 4 TYR HB3 H -2.713 -3.838 -1.685 1.00 . A A . 4 TYR HB3 1 1 15 10475 1 1 4 TYR HD1 H -0.743 -3.294 1.421 1.00 . A A . 4 TYR HD1 1 1 15 10476 1 1 4 TYR HD2 H -4.493 -4.501 -0.247 1.00 . A A . 4 TYR HD2 1 1 15 10477 1 1 4 TYR HE1 H -1.799 -3.232 3.733 1.00 . A A . 4 TYR HE1 1 1 15 10478 1 1 4 TYR HE2 H -5.537 -4.435 2.070 1.00 . A A . 4 TYR HE2 1 1 15 10479 1 1 4 TYR HH H -4.722 -4.667 4.417 1.00 . A A . 4 TYR HH 1 1 15 10480 1 1 4 TYR N N -0.684 -5.708 0.067 1.00 . A A . 4 TYR N 1 1 15 10481 1 1 4 TYR O O 1.206 -5.155 -1.775 1.00 . A A . 4 TYR O 1 1 15 10482 1 1 4 TYR OH O -4.268 -3.797 4.223 1.00 . A A . 4 TYR OH 1 1 15 10483 1 1 5 VAL C C 0.237 -2.764 -5.114 1.00 . A A . 5 VAL C 1 1 15 10484 1 1 5 VAL CA C 0.780 -3.865 -4.200 1.00 . A A . 5 VAL CA 1 1 15 10485 1 1 5 VAL CB C 1.273 -5.092 -4.970 1.00 . A A . 5 VAL CB 1 1 15 10486 1 1 5 VAL CG1 C 2.198 -4.683 -6.119 1.00 . A A . 5 VAL CG1 1 1 15 10487 1 1 5 VAL CG2 C 1.967 -6.084 -4.035 1.00 . A A . 5 VAL CG2 1 1 15 10488 1 1 5 VAL H H -1.184 -4.024 -3.526 1.00 . A A . 5 VAL H 1 1 15 10489 1 1 5 VAL HA H 1.618 -3.465 -3.629 1.00 . A A . 5 VAL HA 1 1 15 10490 1 1 5 VAL HB H 0.404 -5.589 -5.401 1.00 . A A . 5 VAL HB 1 1 15 10491 1 1 5 VAL HG11 H 2.173 -3.599 -6.237 1.00 . A A . 5 VAL HG11 1 1 15 10492 1 1 5 VAL HG12 H 3.216 -5.001 -5.897 1.00 . A A . 5 VAL HG12 1 1 15 10493 1 1 5 VAL HG13 H 1.862 -5.156 -7.042 1.00 . A A . 5 VAL HG13 1 1 15 10494 1 1 5 VAL HG21 H 1.219 -6.604 -3.437 1.00 . A A . 5 VAL HG21 1 1 15 10495 1 1 5 VAL HG22 H 2.528 -6.808 -4.625 1.00 . A A . 5 VAL HG22 1 1 15 10496 1 1 5 VAL HG23 H 2.649 -5.546 -3.376 1.00 . A A . 5 VAL HG23 1 1 15 10497 1 1 5 VAL N N -0.250 -4.254 -3.253 1.00 . A A . 5 VAL N 1 1 15 10498 1 1 5 VAL O O -0.915 -2.820 -5.542 1.00 . A A . 5 VAL O 1 1 15 10499 1 1 6 CYS C C 0.536 -1.206 -7.666 1.00 . A A . 6 CYS C 1 1 15 10500 1 1 6 CYS CA C 0.713 -0.678 -6.241 1.00 . A A . 6 CYS CA 1 1 15 10501 1 1 6 CYS CB C 1.735 0.459 -6.177 1.00 . A A . 6 CYS CB 1 1 15 10502 1 1 6 CYS H H 2.028 -1.752 -5.034 1.00 . A A . 6 CYS H 1 1 15 10503 1 1 6 CYS HA H -0.228 -0.291 -5.852 1.00 . A A . 6 CYS HA 1 1 15 10504 1 1 6 CYS HB2 H 1.657 0.945 -5.204 1.00 . A A . 6 CYS HB2 1 1 15 10505 1 1 6 CYS HB3 H 2.736 0.033 -6.241 1.00 . A A . 6 CYS HB3 1 1 15 10506 1 1 6 CYS N N 1.093 -1.790 -5.386 1.00 . A A . 6 CYS N 1 1 15 10507 1 1 6 CYS O O 1.179 -2.180 -8.055 1.00 . A A . 6 CYS O 1 1 15 10508 1 1 6 CYS SG S 1.553 1.729 -7.482 1.00 . A A . 6 CYS SG 1 1 15 10509 1 1 7 THR C C 0.441 -0.334 -10.718 1.00 . A A . 7 THR C 1 1 15 10510 1 1 7 THR CA C -0.608 -0.930 -9.779 1.00 . A A . 7 THR CA 1 1 15 10511 1 1 7 THR CB C -2.039 -0.507 -10.118 1.00 . A A . 7 THR CB 1 1 15 10512 1 1 7 THR CG2 C -3.080 -1.208 -9.244 1.00 . A A . 7 THR CG2 1 1 15 10513 1 1 7 THR H H -0.857 0.251 -8.081 1.00 . A A . 7 THR H 1 1 15 10514 1 1 7 THR HA H -0.523 -2.015 -9.851 1.00 . A A . 7 THR HA 1 1 15 10515 1 1 7 THR HB H -2.250 -0.662 -11.176 1.00 . A A . 7 THR HB 1 1 15 10516 1 1 7 THR HG1 H -2.139 1.453 -10.510 1.00 . A A . 7 THR HG1 1 1 15 10517 1 1 7 THR HG21 H -4.077 -0.867 -9.522 1.00 . A A . 7 THR HG21 1 1 15 10518 1 1 7 THR HG22 H -3.011 -2.286 -9.391 1.00 . A A . 7 THR HG22 1 1 15 10519 1 1 7 THR HG23 H -2.894 -0.972 -8.196 1.00 . A A . 7 THR HG23 1 1 15 10520 1 1 7 THR N N -0.339 -0.540 -8.405 1.00 . A A . 7 THR N 1 1 15 10521 1 1 7 THR O O 1.224 -1.064 -11.324 1.00 . A A . 7 THR O 1 1 15 10522 1 1 7 THR OG1 O -2.104 0.857 -9.709 1.00 . A A . 7 THR OG1 1 1 15 10523 1 1 8 VAL C C 2.733 1.012 -11.579 1.00 . A A . 8 VAL C 1 1 15 10524 1 1 8 VAL CA C 1.364 1.691 -11.666 1.00 . A A . 8 VAL CA 1 1 15 10525 1 1 8 VAL CB C 1.408 3.173 -11.290 1.00 . A A . 8 VAL CB 1 1 15 10526 1 1 8 VAL CG1 C 2.155 3.986 -12.349 1.00 . A A . 8 VAL CG1 1 1 15 10527 1 1 8 VAL CG2 C -0.003 3.724 -11.071 1.00 . A A . 8 VAL CG2 1 1 15 10528 1 1 8 VAL H H -0.216 1.575 -10.314 1.00 . A A . 8 VAL H 1 1 15 10529 1 1 8 VAL HA H 0.999 1.613 -12.690 1.00 . A A . 8 VAL HA 1 1 15 10530 1 1 8 VAL HB H 1.953 3.265 -10.351 1.00 . A A . 8 VAL HB 1 1 15 10531 1 1 8 VAL HG11 H 3.202 3.681 -12.368 1.00 . A A . 8 VAL HG11 1 1 15 10532 1 1 8 VAL HG12 H 1.707 3.809 -13.326 1.00 . A A . 8 VAL HG12 1 1 15 10533 1 1 8 VAL HG13 H 2.090 5.046 -12.106 1.00 . A A . 8 VAL HG13 1 1 15 10534 1 1 8 VAL HG21 H -0.009 4.796 -11.268 1.00 . A A . 8 VAL HG21 1 1 15 10535 1 1 8 VAL HG22 H -0.697 3.226 -11.747 1.00 . A A . 8 VAL HG22 1 1 15 10536 1 1 8 VAL HG23 H -0.307 3.543 -10.040 1.00 . A A . 8 VAL HG23 1 1 15 10537 1 1 8 VAL N N 0.424 0.988 -10.811 1.00 . A A . 8 VAL N 1 1 15 10538 1 1 8 VAL O O 3.325 0.668 -12.600 1.00 . A A . 8 VAL O 1 1 15 10539 1 1 9 CYS C C 4.275 -0.963 -9.151 1.00 . A A . 9 CYS C 1 1 15 10540 1 1 9 CYS CA C 4.482 0.207 -10.115 1.00 . A A . 9 CYS CA 1 1 15 10541 1 1 9 CYS CB C 5.514 1.206 -9.587 1.00 . A A . 9 CYS CB 1 1 15 10542 1 1 9 CYS H H 2.706 1.122 -9.523 1.00 . A A . 9 CYS H 1 1 15 10543 1 1 9 CYS HA H 4.838 -0.146 -11.082 1.00 . A A . 9 CYS HA 1 1 15 10544 1 1 9 CYS HB2 H 6.503 0.897 -9.925 1.00 . A A . 9 CYS HB2 1 1 15 10545 1 1 9 CYS HB3 H 5.315 2.181 -10.030 1.00 . A A . 9 CYS HB3 1 1 15 10546 1 1 9 CYS N N 3.195 0.839 -10.349 1.00 . A A . 9 CYS N 1 1 15 10547 1 1 9 CYS O O 3.235 -1.059 -8.501 1.00 . A A . 9 CYS O 1 1 15 10548 1 1 9 CYS SG S 5.547 1.385 -7.766 1.00 . A A . 9 CYS SG 1 1 15 10549 1 1 10 GLY C C 5.055 -2.560 -6.755 1.00 . A A . 10 GLY C 1 1 15 10550 1 1 10 GLY CA C 5.222 -2.982 -8.216 1.00 . A A . 10 GLY CA 1 1 15 10551 1 1 10 GLY H H 6.123 -1.736 -9.622 1.00 . A A . 10 GLY H 1 1 15 10552 1 1 10 GLY HA2 H 4.391 -3.622 -8.511 1.00 . A A . 10 GLY HA2 1 1 15 10553 1 1 10 GLY HA3 H 6.133 -3.571 -8.326 1.00 . A A . 10 GLY HA3 1 1 15 10554 1 1 10 GLY N N 5.281 -1.822 -9.089 1.00 . A A . 10 GLY N 1 1 15 10555 1 1 10 GLY O O 3.941 -2.294 -6.306 1.00 . A A . 10 GLY O 1 1 15 10556 1 1 11 TYR C C 5.146 -2.947 -3.865 1.00 . A A . 11 TYR C 1 1 15 10557 1 1 11 TYR CA C 6.169 -2.127 -4.653 1.00 . A A . 11 TYR CA 1 1 15 10558 1 1 11 TYR CB C 5.756 -0.654 -4.623 1.00 . A A . 11 TYR CB 1 1 15 10559 1 1 11 TYR CD1 C 6.845 -0.108 -2.415 1.00 . A A . 11 TYR CD1 1 1 15 10560 1 1 11 TYR CD2 C 4.578 0.568 -2.759 1.00 . A A . 11 TYR CD2 1 1 15 10561 1 1 11 TYR CE1 C 6.816 0.465 -1.094 1.00 . A A . 11 TYR CE1 1 1 15 10562 1 1 11 TYR CE2 C 4.549 1.142 -1.438 1.00 . A A . 11 TYR CE2 1 1 15 10563 1 1 11 TYR CG C 5.725 -0.045 -3.219 1.00 . A A . 11 TYR CG 1 1 15 10564 1 1 11 TYR CZ C 5.669 1.062 -0.671 1.00 . A A . 11 TYR CZ 1 1 15 10565 1 1 11 TYR H H 7.080 -2.729 -6.427 1.00 . A A . 11 TYR H 1 1 15 10566 1 1 11 TYR HA H 7.163 -2.313 -4.247 1.00 . A A . 11 TYR HA 1 1 15 10567 1 1 11 TYR HB2 H 6.447 -0.081 -5.241 1.00 . A A . 11 TYR HB2 1 1 15 10568 1 1 11 TYR HB3 H 4.769 -0.555 -5.073 1.00 . A A . 11 TYR HB3 1 1 15 10569 1 1 11 TYR HD1 H 7.751 -0.593 -2.779 1.00 . A A . 11 TYR HD1 1 1 15 10570 1 1 11 TYR HD2 H 3.694 0.619 -3.394 1.00 . A A . 11 TYR HD2 1 1 15 10571 1 1 11 TYR HE1 H 7.692 0.422 -0.448 1.00 . A A . 11 TYR HE1 1 1 15 10572 1 1 11 TYR HE2 H 3.649 1.629 -1.062 1.00 . A A . 11 TYR HE2 1 1 15 10573 1 1 11 TYR HH H 4.705 1.858 0.818 1.00 . A A . 11 TYR HH 1 1 15 10574 1 1 11 TYR N N 6.178 -2.512 -6.054 1.00 . A A . 11 TYR N 1 1 15 10575 1 1 11 TYR O O 4.390 -3.725 -4.444 1.00 . A A . 11 TYR O 1 1 15 10576 1 1 11 TYR OH O 5.641 1.603 0.577 1.00 . A A . 11 TYR OH 1 1 15 10577 1 1 12 GLU C C 4.185 -2.786 -0.308 1.00 . A A . 12 GLU C 1 1 15 10578 1 1 12 GLU CA C 4.237 -3.456 -1.682 1.00 . A A . 12 GLU CA 1 1 15 10579 1 1 12 GLU CB C 4.629 -4.930 -1.559 1.00 . A A . 12 GLU CB 1 1 15 10580 1 1 12 GLU CD C 6.550 -6.474 -1.025 1.00 . A A . 12 GLU CD 1 1 15 10581 1 1 12 GLU CG C 5.948 -5.085 -0.800 1.00 . A A . 12 GLU CG 1 1 15 10582 1 1 12 GLU H H 5.774 -2.111 -2.092 1.00 . A A . 12 GLU H 1 1 15 10583 1 1 12 GLU HA H 3.263 -3.385 -2.166 1.00 . A A . 12 GLU HA 1 1 15 10584 1 1 12 GLU HB2 H 3.841 -5.477 -1.041 1.00 . A A . 12 GLU HB2 1 1 15 10585 1 1 12 GLU HB3 H 4.722 -5.370 -2.552 1.00 . A A . 12 GLU HB3 1 1 15 10586 1 1 12 GLU HE2 H 6.732 -7.986 0.082 1.00 . A A . 12 GLU HE2 1 1 15 10587 1 1 12 GLU HG2 H 6.653 -4.322 -1.128 1.00 . A A . 12 GLU HG2 1 1 15 10588 1 1 12 GLU HG3 H 5.779 -4.927 0.266 1.00 . A A . 12 GLU HG3 1 1 15 10589 1 1 12 GLU N N 5.155 -2.745 -2.555 1.00 . A A . 12 GLU N 1 1 15 10590 1 1 12 GLU O O 5.222 -2.463 0.269 1.00 . A A . 12 GLU O 1 1 15 10591 1 1 12 GLU OE1 O 7.480 -6.623 -1.831 1.00 . A A . 12 GLU OE1 1 1 15 10592 1 1 12 GLU OE2 O 6.017 -7.419 -0.326 1.00 . A A . 12 GLU OE2 1 1 15 10593 1 1 13 TYR C C 2.655 -3.022 2.579 1.00 . A A . 13 TYR C 1 1 15 10594 1 1 13 TYR CA C 2.766 -1.971 1.473 1.00 . A A . 13 TYR CA 1 1 15 10595 1 1 13 TYR CB C 1.441 -1.211 1.374 1.00 . A A . 13 TYR CB 1 1 15 10596 1 1 13 TYR CD1 C 1.730 0.063 3.530 1.00 . A A . 13 TYR CD1 1 1 15 10597 1 1 13 TYR CD2 C -0.372 -0.995 3.112 1.00 . A A . 13 TYR CD2 1 1 15 10598 1 1 13 TYR CE1 C 1.236 0.546 4.794 1.00 . A A . 13 TYR CE1 1 1 15 10599 1 1 13 TYR CE2 C -0.866 -0.512 4.375 1.00 . A A . 13 TYR CE2 1 1 15 10600 1 1 13 TYR CG C 0.916 -0.698 2.716 1.00 . A A . 13 TYR CG 1 1 15 10601 1 1 13 TYR CZ C -0.038 0.234 5.154 1.00 . A A . 13 TYR CZ 1 1 15 10602 1 1 13 TYR H H 2.128 -2.862 -0.298 1.00 . A A . 13 TYR H 1 1 15 10603 1 1 13 TYR HA H 3.625 -1.331 1.674 1.00 . A A . 13 TYR HA 1 1 15 10604 1 1 13 TYR HB2 H 1.569 -0.365 0.698 1.00 . A A . 13 TYR HB2 1 1 15 10605 1 1 13 TYR HB3 H 0.692 -1.865 0.928 1.00 . A A . 13 TYR HB3 1 1 15 10606 1 1 13 TYR HD1 H 2.748 0.297 3.217 1.00 . A A . 13 TYR HD1 1 1 15 10607 1 1 13 TYR HD2 H -1.015 -1.596 2.469 1.00 . A A . 13 TYR HD2 1 1 15 10608 1 1 13 TYR HE1 H 1.869 1.147 5.446 1.00 . A A . 13 TYR HE1 1 1 15 10609 1 1 13 TYR HE2 H -1.882 -0.740 4.700 1.00 . A A . 13 TYR HE2 1 1 15 10610 1 1 13 TYR HH H -0.383 -0.008 7.051 1.00 . A A . 13 TYR HH 1 1 15 10611 1 1 13 TYR N N 2.967 -2.597 0.177 1.00 . A A . 13 TYR N 1 1 15 10612 1 1 13 TYR O O 2.121 -4.108 2.357 1.00 . A A . 13 TYR O 1 1 15 10613 1 1 13 TYR OH O -0.505 0.691 6.347 1.00 . A A . 13 TYR OH 1 1 15 10614 1 1 14 ASP C C 2.205 -2.986 5.957 1.00 . A A . 14 ASP C 1 1 15 10615 1 1 14 ASP CA C 3.134 -3.562 4.887 1.00 . A A . 14 ASP CA 1 1 15 10616 1 1 14 ASP CB C 4.525 -3.722 5.505 1.00 . A A . 14 ASP CB 1 1 15 10617 1 1 14 ASP CG C 5.236 -5.034 5.166 1.00 . A A . 14 ASP CG 1 1 15 10618 1 1 14 ASP H H 3.601 -1.778 3.918 1.00 . A A . 14 ASP H 1 1 15 10619 1 1 14 ASP HA H 2.776 -4.513 4.492 1.00 . A A . 14 ASP HA 1 1 15 10620 1 1 14 ASP HB2 H 5.150 -2.892 5.175 1.00 . A A . 14 ASP HB2 1 1 15 10621 1 1 14 ASP HB3 H 4.436 -3.643 6.588 1.00 . A A . 14 ASP HB3 1 1 15 10622 1 1 14 ASP HD2 H 4.316 -6.560 4.557 1.00 . A A . 14 ASP HD2 1 1 15 10623 1 1 14 ASP N N 3.169 -2.663 3.746 1.00 . A A . 14 ASP N 1 1 15 10624 1 1 14 ASP O O 2.557 -2.023 6.636 1.00 . A A . 14 ASP O 1 1 15 10625 1 1 14 ASP OD1 O 6.381 -5.035 4.691 1.00 . A A . 14 ASP OD1 1 1 15 10626 1 1 14 ASP OD2 O 4.556 -6.102 5.413 1.00 . A A . 14 ASP OD2 1 1 15 10627 1 1 15 PRO C C 0.428 -3.601 8.467 1.00 . A A . 15 PRO C 1 1 15 10628 1 1 15 PRO CA C 0.024 -3.177 7.054 1.00 . A A . 15 PRO CA 1 1 15 10629 1 1 15 PRO CB C -1.287 -3.797 6.599 1.00 . A A . 15 PRO CB 1 1 15 10630 1 1 15 PRO CD C 0.556 -4.761 5.290 1.00 . A A . 15 PRO CD 1 1 15 10631 1 1 15 PRO CG C -0.909 -4.931 5.661 1.00 . A A . 15 PRO CG 1 1 15 10632 1 1 15 PRO HA H -0.025 -2.178 7.071 1.00 . A A . 15 PRO HA 1 1 15 10633 1 1 15 PRO HB2 H -1.859 -4.168 7.450 1.00 . A A . 15 PRO HB2 1 1 15 10634 1 1 15 PRO HB3 H -1.912 -3.062 6.092 1.00 . A A . 15 PRO HB3 1 1 15 10635 1 1 15 PRO HD2 H 1.131 -5.656 5.528 1.00 . A A . 15 PRO HD2 1 1 15 10636 1 1 15 PRO HD3 H 0.675 -4.578 4.223 1.00 . A A . 15 PRO HD3 1 1 15 10637 1 1 15 PRO HG2 H -1.071 -5.896 6.142 1.00 . A A . 15 PRO HG2 1 1 15 10638 1 1 15 PRO HG3 H -1.533 -4.912 4.768 1.00 . A A . 15 PRO HG3 1 1 15 10639 1 1 15 PRO N N 1.006 -3.617 6.078 1.00 . A A . 15 PRO N 1 1 15 10640 1 1 15 PRO O O 0.137 -2.900 9.436 1.00 . A A . 15 PRO O 1 1 15 10641 1 1 16 ALA C C 2.755 -4.476 10.296 1.00 . A A . 16 ALA C 1 1 15 10642 1 1 16 ALA CA C 1.538 -5.271 9.819 1.00 . A A . 16 ALA CA 1 1 15 10643 1 1 16 ALA CB C 1.835 -6.765 9.682 1.00 . A A . 16 ALA CB 1 1 15 10644 1 1 16 ALA H H 1.323 -5.309 7.748 1.00 . A A . 16 ALA H 1 1 15 10645 1 1 16 ALA HA H 0.726 -5.139 10.534 1.00 . A A . 16 ALA HA 1 1 15 10646 1 1 16 ALA HB1 H 1.112 -7.218 9.003 1.00 . A A . 16 ALA HB1 1 1 15 10647 1 1 16 ALA HB2 H 2.841 -6.901 9.285 1.00 . A A . 16 ALA HB2 1 1 15 10648 1 1 16 ALA HB3 H 1.763 -7.242 10.660 1.00 . A A . 16 ALA HB3 1 1 15 10649 1 1 16 ALA N N 1.091 -4.745 8.541 1.00 . A A . 16 ALA N 1 1 15 10650 1 1 16 ALA O O 3.247 -4.690 11.402 1.00 . A A . 16 ALA O 1 1 15 10651 1 1 17 GLU C C 3.954 -1.270 9.796 1.00 . A A . 17 GLU C 1 1 15 10652 1 1 17 GLU CA C 4.357 -2.746 9.755 1.00 . A A . 17 GLU CA 1 1 15 10653 1 1 17 GLU CB C 5.492 -2.976 8.755 1.00 . A A . 17 GLU CB 1 1 15 10654 1 1 17 GLU CD C 7.394 -3.713 10.238 1.00 . A A . 17 GLU CD 1 1 15 10655 1 1 17 GLU CG C 6.842 -2.587 9.360 1.00 . A A . 17 GLU CG 1 1 15 10656 1 1 17 GLU H H 2.800 -3.406 8.538 1.00 . A A . 17 GLU H 1 1 15 10657 1 1 17 GLU HA H 4.681 -3.069 10.744 1.00 . A A . 17 GLU HA 1 1 15 10658 1 1 17 GLU HB2 H 5.511 -4.024 8.456 1.00 . A A . 17 GLU HB2 1 1 15 10659 1 1 17 GLU HB3 H 5.312 -2.391 7.853 1.00 . A A . 17 GLU HB3 1 1 15 10660 1 1 17 GLU HE2 H 7.450 -4.761 8.675 1.00 . A A . 17 GLU HE2 1 1 15 10661 1 1 17 GLU HG2 H 7.551 -2.363 8.563 1.00 . A A . 17 GLU HG2 1 1 15 10662 1 1 17 GLU HG3 H 6.732 -1.680 9.953 1.00 . A A . 17 GLU HG3 1 1 15 10663 1 1 17 GLU N N 3.206 -3.574 9.436 1.00 . A A . 17 GLU N 1 1 15 10664 1 1 17 GLU O O 4.163 -0.594 10.802 1.00 . A A . 17 GLU O 1 1 15 10665 1 1 17 GLU OE1 O 7.386 -3.596 11.473 1.00 . A A . 17 GLU OE1 1 1 15 10666 1 1 17 GLU OE2 O 7.841 -4.737 9.595 1.00 . A A . 17 GLU OE2 1 1 15 10667 1 1 18 GLY C C 3.632 1.272 7.416 1.00 . A A . 18 GLY C 1 1 15 10668 1 1 18 GLY CA C 2.948 0.568 8.589 1.00 . A A . 18 GLY CA 1 1 15 10669 1 1 18 GLY H H 3.215 -1.372 7.878 1.00 . A A . 18 GLY H 1 1 15 10670 1 1 18 GLY HA2 H 1.866 0.604 8.459 1.00 . A A . 18 GLY HA2 1 1 15 10671 1 1 18 GLY HA3 H 3.175 1.094 9.516 1.00 . A A . 18 GLY HA3 1 1 15 10672 1 1 18 GLY N N 3.382 -0.815 8.691 1.00 . A A . 18 GLY N 1 1 15 10673 1 1 18 GLY O O 3.808 0.683 6.350 1.00 . A A . 18 GLY O 1 1 15 10674 1 1 19 ASP C C 5.111 4.646 7.229 1.00 . A A . 19 ASP C 1 1 15 10675 1 1 19 ASP CA C 4.660 3.314 6.626 1.00 . A A . 19 ASP CA 1 1 15 10676 1 1 19 ASP CB C 3.710 3.617 5.466 1.00 . A A . 19 ASP CB 1 1 15 10677 1 1 19 ASP CG C 4.365 3.643 4.084 1.00 . A A . 19 ASP CG 1 1 15 10678 1 1 19 ASP H H 3.852 2.996 8.520 1.00 . A A . 19 ASP H 1 1 15 10679 1 1 19 ASP HA H 5.498 2.704 6.290 1.00 . A A . 19 ASP HA 1 1 15 10680 1 1 19 ASP HB2 H 2.916 2.871 5.462 1.00 . A A . 19 ASP HB2 1 1 15 10681 1 1 19 ASP HB3 H 3.238 4.583 5.645 1.00 . A A . 19 ASP HB3 1 1 15 10682 1 1 19 ASP HD2 H 4.263 5.463 3.613 1.00 . A A . 19 ASP HD2 1 1 15 10683 1 1 19 ASP N N 3.999 2.523 7.651 1.00 . A A . 19 ASP N 1 1 15 10684 1 1 19 ASP O O 4.286 5.508 7.527 1.00 . A A . 19 ASP O 1 1 15 10685 1 1 19 ASP OD1 O 4.322 2.652 3.338 1.00 . A A . 19 ASP OD1 1 1 15 10686 1 1 19 ASP OD2 O 4.947 4.752 3.776 1.00 . A A . 19 ASP OD2 1 1 15 10687 1 1 20 PRO C C 7.005 7.129 6.934 1.00 . A A . 20 PRO C 1 1 15 10688 1 1 20 PRO CA C 7.025 5.990 7.955 1.00 . A A . 20 PRO CA 1 1 15 10689 1 1 20 PRO CB C 8.431 5.601 8.384 1.00 . A A . 20 PRO CB 1 1 15 10690 1 1 20 PRO CD C 7.462 3.777 7.052 1.00 . A A . 20 PRO CD 1 1 15 10691 1 1 20 PRO CG C 8.758 4.322 7.630 1.00 . A A . 20 PRO CG 1 1 15 10692 1 1 20 PRO HA H 6.476 6.306 8.728 1.00 . A A . 20 PRO HA 1 1 15 10693 1 1 20 PRO HB2 H 9.144 6.389 8.144 1.00 . A A . 20 PRO HB2 1 1 15 10694 1 1 20 PRO HB3 H 8.481 5.443 9.461 1.00 . A A . 20 PRO HB3 1 1 15 10695 1 1 20 PRO HD2 H 7.536 3.642 5.973 1.00 . A A . 20 PRO HD2 1 1 15 10696 1 1 20 PRO HD3 H 7.216 2.805 7.479 1.00 . A A . 20 PRO HD3 1 1 15 10697 1 1 20 PRO HG2 H 9.477 4.521 6.835 1.00 . A A . 20 PRO HG2 1 1 15 10698 1 1 20 PRO HG3 H 9.215 3.592 8.298 1.00 . A A . 20 PRO HG3 1 1 15 10699 1 1 20 PRO N N 6.455 4.777 7.394 1.00 . A A . 20 PRO N 1 1 15 10700 1 1 20 PRO O O 6.820 8.289 7.297 1.00 . A A . 20 PRO O 1 1 15 10701 1 1 21 ASP C C 6.171 8.821 4.898 1.00 . A A . 21 ASP C 1 1 15 10702 1 1 21 ASP CA C 7.205 7.733 4.601 1.00 . A A . 21 ASP CA 1 1 15 10703 1 1 21 ASP CB C 6.836 7.083 3.265 1.00 . A A . 21 ASP CB 1 1 15 10704 1 1 21 ASP CG C 7.427 7.765 2.030 1.00 . A A . 21 ASP CG 1 1 15 10705 1 1 21 ASP H H 7.348 5.811 5.390 1.00 . A A . 21 ASP H 1 1 15 10706 1 1 21 ASP HA H 8.223 8.122 4.572 1.00 . A A . 21 ASP HA 1 1 15 10707 1 1 21 ASP HB2 H 7.166 6.044 3.281 1.00 . A A . 21 ASP HB2 1 1 15 10708 1 1 21 ASP HB3 H 5.750 7.072 3.172 1.00 . A A . 21 ASP HB3 1 1 15 10709 1 1 21 ASP HD2 H 8.378 6.215 1.540 1.00 . A A . 21 ASP HD2 1 1 15 10710 1 1 21 ASP N N 7.199 6.757 5.677 1.00 . A A . 21 ASP N 1 1 15 10711 1 1 21 ASP O O 6.442 10.007 4.712 1.00 . A A . 21 ASP O 1 1 15 10712 1 1 21 ASP OD1 O 6.898 8.776 1.544 1.00 . A A . 21 ASP OD1 1 1 15 10713 1 1 21 ASP OD2 O 8.490 7.209 1.556 1.00 . A A . 21 ASP OD2 1 1 15 10714 1 1 22 ASN C C 3.713 9.306 7.195 1.00 . A A . 22 ASN C 1 1 15 10715 1 1 22 ASN CA C 3.934 9.300 5.681 1.00 . A A . 22 ASN CA 1 1 15 10716 1 1 22 ASN CB C 2.624 8.876 5.014 1.00 . A A . 22 ASN CB 1 1 15 10717 1 1 22 ASN CG C 2.561 9.370 3.567 1.00 . A A . 22 ASN CG 1 1 15 10718 1 1 22 ASN H H 4.798 7.413 5.505 1.00 . A A . 22 ASN H 1 1 15 10719 1 1 22 ASN HA H 4.263 10.269 5.305 1.00 . A A . 22 ASN HA 1 1 15 10720 1 1 22 ASN HB2 H 2.536 7.790 5.035 1.00 . A A . 22 ASN HB2 1 1 15 10721 1 1 22 ASN HB3 H 1.779 9.275 5.576 1.00 . A A . 22 ASN HB3 1 1 15 10722 1 1 22 ASN HD21 H 4.130 8.166 3.137 1.00 . A A . 22 ASN HD21 1 1 15 10723 1 1 22 ASN HD22 H 3.519 9.090 1.806 1.00 . A A . 22 ASN HD22 1 1 15 10724 1 1 22 ASN N N 5.009 8.379 5.356 1.00 . A A . 22 ASN N 1 1 15 10725 1 1 22 ASN ND2 N 3.479 8.831 2.771 1.00 . A A . 22 ASN ND2 1 1 15 10726 1 1 22 ASN O O 3.497 10.360 7.791 1.00 . A A . 22 ASN O 1 1 15 10727 1 1 22 ASN OD1 O 1.733 10.187 3.199 1.00 . A A . 22 ASN OD1 1 1 15 10728 1 1 23 GLY C C 2.409 7.038 9.512 1.00 . A A . 23 GLY C 1 1 15 10729 1 1 23 GLY CA C 3.584 7.969 9.207 1.00 . A A . 23 GLY CA 1 1 15 10730 1 1 23 GLY H H 3.951 7.263 7.282 1.00 . A A . 23 GLY H 1 1 15 10731 1 1 23 GLY HA2 H 4.493 7.574 9.660 1.00 . A A . 23 GLY HA2 1 1 15 10732 1 1 23 GLY HA3 H 3.404 8.947 9.655 1.00 . A A . 23 GLY HA3 1 1 15 10733 1 1 23 GLY N N 3.775 8.115 7.774 1.00 . A A . 23 GLY N 1 1 15 10734 1 1 23 GLY O O 1.278 7.493 9.674 1.00 . A A . 23 GLY O 1 1 15 10735 1 1 24 VAL C C 2.249 3.747 10.879 1.00 . A A . 24 VAL C 1 1 15 10736 1 1 24 VAL CA C 1.701 4.752 9.864 1.00 . A A . 24 VAL CA 1 1 15 10737 1 1 24 VAL CB C 1.237 4.095 8.562 1.00 . A A . 24 VAL CB 1 1 15 10738 1 1 24 VAL CG1 C 0.322 2.903 8.846 1.00 . A A . 24 VAL CG1 1 1 15 10739 1 1 24 VAL CG2 C 0.547 5.112 7.651 1.00 . A A . 24 VAL CG2 1 1 15 10740 1 1 24 VAL H H 3.640 5.390 9.449 1.00 . A A . 24 VAL H 1 1 15 10741 1 1 24 VAL HA H 0.848 5.267 10.305 1.00 . A A . 24 VAL HA 1 1 15 10742 1 1 24 VAL HB H 2.120 3.724 8.041 1.00 . A A . 24 VAL HB 1 1 15 10743 1 1 24 VAL HG11 H -0.698 3.256 9.000 1.00 . A A . 24 VAL HG11 1 1 15 10744 1 1 24 VAL HG12 H 0.345 2.217 7.999 1.00 . A A . 24 VAL HG12 1 1 15 10745 1 1 24 VAL HG13 H 0.666 2.386 9.742 1.00 . A A . 24 VAL HG13 1 1 15 10746 1 1 24 VAL HG21 H 0.060 4.590 6.827 1.00 . A A . 24 VAL HG21 1 1 15 10747 1 1 24 VAL HG22 H -0.199 5.665 8.222 1.00 . A A . 24 VAL HG22 1 1 15 10748 1 1 24 VAL HG23 H 1.288 5.806 7.254 1.00 . A A . 24 VAL HG23 1 1 15 10749 1 1 24 VAL N N 2.718 5.751 9.581 1.00 . A A . 24 VAL N 1 1 15 10750 1 1 24 VAL O O 3.438 3.432 10.867 1.00 . A A . 24 VAL O 1 1 15 10751 1 1 25 LYS C C 1.585 0.891 12.191 1.00 . A A . 25 LYS C 1 1 15 10752 1 1 25 LYS CA C 1.734 2.307 12.753 1.00 . A A . 25 LYS CA 1 1 15 10753 1 1 25 LYS CB C 0.938 2.546 14.037 1.00 . A A . 25 LYS CB 1 1 15 10754 1 1 25 LYS CD C 0.424 4.542 15.490 1.00 . A A . 25 LYS CD 1 1 15 10755 1 1 25 LYS CE C 0.732 6.037 15.380 1.00 . A A . 25 LYS CE 1 1 15 10756 1 1 25 LYS CG C 1.529 3.706 14.841 1.00 . A A . 25 LYS CG 1 1 15 10757 1 1 25 LYS H H 0.390 3.531 11.736 1.00 . A A . 25 LYS H 1 1 15 10758 1 1 25 LYS HA H 2.785 2.476 12.988 1.00 . A A . 25 LYS HA 1 1 15 10759 1 1 25 LYS HB2 H -0.102 2.761 13.791 1.00 . A A . 25 LYS HB2 1 1 15 10760 1 1 25 LYS HB3 H 0.940 1.640 14.644 1.00 . A A . 25 LYS HB3 1 1 15 10761 1 1 25 LYS HD2 H -0.530 4.327 15.009 1.00 . A A . 25 LYS HD2 1 1 15 10762 1 1 25 LYS HD3 H 0.322 4.264 16.539 1.00 . A A . 25 LYS HD3 1 1 15 10763 1 1 25 LYS HE2 H 1.238 6.242 14.437 1.00 . A A . 25 LYS HE2 1 1 15 10764 1 1 25 LYS HE3 H -0.198 6.606 15.373 1.00 . A A . 25 LYS HE3 1 1 15 10765 1 1 25 LYS HG2 H 2.196 3.318 15.610 1.00 . A A . 25 LYS HG2 1 1 15 10766 1 1 25 LYS HG3 H 2.130 4.337 14.186 1.00 . A A . 25 LYS HG3 1 1 15 10767 1 1 25 LYS HZ1 H 1.125 7.188 17.073 1.00 . A A . 25 LYS HZ1 1 1 15 10768 1 1 25 LYS HZ3 H 2.460 6.869 16.196 1.00 . A A . 25 LYS HZ3 1 1 15 10769 1 1 25 LYS N N 1.355 3.270 11.733 1.00 . A A . 25 LYS N 1 1 15 10770 1 1 25 LYS NZ N 1.579 6.476 16.511 1.00 . A A . 25 LYS NZ 1 1 15 10771 1 1 25 LYS O O 0.911 0.688 11.183 1.00 . A A . 25 LYS O 1 1 15 10772 1 1 26 PRO C C 0.836 -2.090 12.812 1.00 . A A . 26 PRO C 1 1 15 10773 1 1 26 PRO CA C 2.190 -1.465 12.468 1.00 . A A . 26 PRO CA 1 1 15 10774 1 1 26 PRO CB C 3.352 -2.136 13.183 1.00 . A A . 26 PRO CB 1 1 15 10775 1 1 26 PRO CD C 3.050 0.130 14.085 1.00 . A A . 26 PRO CD 1 1 15 10776 1 1 26 PRO CG C 3.727 -1.209 14.328 1.00 . A A . 26 PRO CG 1 1 15 10777 1 1 26 PRO HA H 2.277 -1.532 11.474 1.00 . A A . 26 PRO HA 1 1 15 10778 1 1 26 PRO HB2 H 3.067 -3.120 13.554 1.00 . A A . 26 PRO HB2 1 1 15 10779 1 1 26 PRO HB3 H 4.194 -2.281 12.506 1.00 . A A . 26 PRO HB3 1 1 15 10780 1 1 26 PRO HD2 H 2.432 0.421 14.935 1.00 . A A . 26 PRO HD2 1 1 15 10781 1 1 26 PRO HD3 H 3.783 0.923 13.938 1.00 . A A . 26 PRO HD3 1 1 15 10782 1 1 26 PRO HG2 H 3.407 -1.632 15.281 1.00 . A A . 26 PRO HG2 1 1 15 10783 1 1 26 PRO HG3 H 4.809 -1.087 14.381 1.00 . A A . 26 PRO HG3 1 1 15 10784 1 1 26 PRO N N 2.242 -0.075 12.887 1.00 . A A . 26 PRO N 1 1 15 10785 1 1 26 PRO O O 0.218 -1.729 13.812 1.00 . A A . 26 PRO O 1 1 15 10786 1 1 27 GLY C C -1.987 -2.965 11.442 1.00 . A A . 27 GLY C 1 1 15 10787 1 1 27 GLY CA C -0.853 -3.696 12.165 1.00 . A A . 27 GLY CA 1 1 15 10788 1 1 27 GLY H H 0.925 -3.305 11.152 1.00 . A A . 27 GLY H 1 1 15 10789 1 1 27 GLY HA2 H -0.784 -4.720 11.798 1.00 . A A . 27 GLY HA2 1 1 15 10790 1 1 27 GLY HA3 H -1.074 -3.753 13.231 1.00 . A A . 27 GLY HA3 1 1 15 10791 1 1 27 GLY N N 0.415 -3.017 11.963 1.00 . A A . 27 GLY N 1 1 15 10792 1 1 27 GLY O O -3.049 -3.538 11.206 1.00 . A A . 27 GLY O 1 1 15 10793 1 1 28 THR C C -3.028 -1.493 9.049 1.00 . A A . 28 THR C 1 1 15 10794 1 1 28 THR CA C -2.706 -0.894 10.420 1.00 . A A . 28 THR CA 1 1 15 10795 1 1 28 THR CB C -2.168 0.536 10.347 1.00 . A A . 28 THR CB 1 1 15 10796 1 1 28 THR CG2 C -3.191 1.518 9.770 1.00 . A A . 28 THR CG2 1 1 15 10797 1 1 28 THR H H -0.855 -1.250 11.307 1.00 . A A . 28 THR H 1 1 15 10798 1 1 28 THR HA H -3.630 -0.906 10.999 1.00 . A A . 28 THR HA 1 1 15 10799 1 1 28 THR HB H -1.235 0.573 9.786 1.00 . A A . 28 THR HB 1 1 15 10800 1 1 28 THR HG1 H -1.843 1.908 11.767 1.00 . A A . 28 THR HG1 1 1 15 10801 1 1 28 THR HG21 H -3.135 1.503 8.682 1.00 . A A . 28 THR HG21 1 1 15 10802 1 1 28 THR HG22 H -4.193 1.227 10.087 1.00 . A A . 28 THR HG22 1 1 15 10803 1 1 28 THR HG23 H -2.973 2.523 10.131 1.00 . A A . 28 THR HG23 1 1 15 10804 1 1 28 THR N N -1.722 -1.709 11.111 1.00 . A A . 28 THR N 1 1 15 10805 1 1 28 THR O O -2.262 -2.302 8.526 1.00 . A A . 28 THR O 1 1 15 10806 1 1 28 THR OG1 O -2.041 0.929 11.710 1.00 . A A . 28 THR OG1 1 1 15 10807 1 1 29 SER C C -4.594 -0.412 6.194 1.00 . A A . 29 SER C 1 1 15 10808 1 1 29 SER CA C -4.593 -1.559 7.207 1.00 . A A . 29 SER CA 1 1 15 10809 1 1 29 SER CB C -5.983 -2.195 7.290 1.00 . A A . 29 SER CB 1 1 15 10810 1 1 29 SER H H -4.778 -0.416 8.939 1.00 . A A . 29 SER H 1 1 15 10811 1 1 29 SER HA H -3.864 -2.318 6.925 1.00 . A A . 29 SER HA 1 1 15 10812 1 1 29 SER HB2 H -6.139 -2.839 6.425 1.00 . A A . 29 SER HB2 1 1 15 10813 1 1 29 SER HB3 H -6.038 -2.830 8.174 1.00 . A A . 29 SER HB3 1 1 15 10814 1 1 29 SER HG H -7.375 -1.046 6.427 1.00 . A A . 29 SER HG 1 1 15 10815 1 1 29 SER N N -4.161 -1.074 8.507 1.00 . A A . 29 SER N 1 1 15 10816 1 1 29 SER O O -4.929 0.721 6.535 1.00 . A A . 29 SER O 1 1 15 10817 1 1 29 SER OG O -7.016 -1.215 7.344 1.00 . A A . 29 SER OG 1 1 15 10818 1 1 30 PHE C C -5.527 0.922 3.728 1.00 . A A . 30 PHE C 1 1 15 10819 1 1 30 PHE CA C -4.168 0.241 3.905 1.00 . A A . 30 PHE CA 1 1 15 10820 1 1 30 PHE CB C -3.814 -0.505 2.617 1.00 . A A . 30 PHE CB 1 1 15 10821 1 1 30 PHE CD1 C -4.650 1.003 0.801 1.00 . A A . 30 PHE CD1 1 1 15 10822 1 1 30 PHE CD2 C -2.329 0.624 0.946 1.00 . A A . 30 PHE CD2 1 1 15 10823 1 1 30 PHE CE1 C -4.441 1.850 -0.319 1.00 . A A . 30 PHE CE1 1 1 15 10824 1 1 30 PHE CE2 C -2.121 1.472 -0.174 1.00 . A A . 30 PHE CE2 1 1 15 10825 1 1 30 PHE CG C -3.589 0.408 1.410 1.00 . A A . 30 PHE CG 1 1 15 10826 1 1 30 PHE CZ C -3.181 2.067 -0.783 1.00 . A A . 30 PHE CZ 1 1 15 10827 1 1 30 PHE H H -3.944 -1.671 4.701 1.00 . A A . 30 PHE H 1 1 15 10828 1 1 30 PHE HA H -3.425 0.987 4.188 1.00 . A A . 30 PHE HA 1 1 15 10829 1 1 30 PHE HB2 H -2.912 -1.094 2.787 1.00 . A A . 30 PHE HB2 1 1 15 10830 1 1 30 PHE HB3 H -4.614 -1.208 2.384 1.00 . A A . 30 PHE HB3 1 1 15 10831 1 1 30 PHE HD1 H -5.659 0.830 1.173 1.00 . A A . 30 PHE HD1 1 1 15 10832 1 1 30 PHE HD2 H -1.479 0.147 1.434 1.00 . A A . 30 PHE HD2 1 1 15 10833 1 1 30 PHE HE1 H -5.291 2.327 -0.807 1.00 . A A . 30 PHE HE1 1 1 15 10834 1 1 30 PHE HE2 H -1.111 1.645 -0.546 1.00 . A A . 30 PHE HE2 1 1 15 10835 1 1 30 PHE HZ H -3.021 2.717 -1.643 1.00 . A A . 30 PHE HZ 1 1 15 10836 1 1 30 PHE N N -4.215 -0.747 4.969 1.00 . A A . 30 PHE N 1 1 15 10837 1 1 30 PHE O O -5.611 2.010 3.160 1.00 . A A . 30 PHE O 1 1 15 10838 1 1 31 ASP C C -8.098 1.880 5.174 1.00 . A A . 31 ASP C 1 1 15 10839 1 1 31 ASP CA C -7.908 0.779 4.128 1.00 . A A . 31 ASP CA 1 1 15 10840 1 1 31 ASP CB C -8.946 -0.312 4.398 1.00 . A A . 31 ASP CB 1 1 15 10841 1 1 31 ASP CG C -10.334 -0.044 3.813 1.00 . A A . 31 ASP CG 1 1 15 10842 1 1 31 ASP H H -6.480 -0.632 4.685 1.00 . A A . 31 ASP H 1 1 15 10843 1 1 31 ASP HA H -7.998 1.153 3.109 1.00 . A A . 31 ASP HA 1 1 15 10844 1 1 31 ASP HB2 H -8.573 -1.254 3.994 1.00 . A A . 31 ASP HB2 1 1 15 10845 1 1 31 ASP HB3 H -9.041 -0.444 5.476 1.00 . A A . 31 ASP HB3 1 1 15 10846 1 1 31 ASP HD2 H -10.893 0.474 5.535 1.00 . A A . 31 ASP HD2 1 1 15 10847 1 1 31 ASP N N -6.557 0.253 4.225 1.00 . A A . 31 ASP N 1 1 15 10848 1 1 31 ASP O O -8.991 2.716 5.046 1.00 . A A . 31 ASP O 1 1 15 10849 1 1 31 ASP OD1 O -10.510 0.015 2.587 1.00 . A A . 31 ASP OD1 1 1 15 10850 1 1 31 ASP OD2 O -11.272 0.109 4.685 1.00 . A A . 31 ASP OD2 1 1 15 10851 1 1 32 ASP C C -6.254 3.913 7.002 1.00 . A A . 32 ASP C 1 1 15 10852 1 1 32 ASP CA C -7.304 2.829 7.253 1.00 . A A . 32 ASP CA 1 1 15 10853 1 1 32 ASP CB C -7.008 2.188 8.610 1.00 . A A . 32 ASP CB 1 1 15 10854 1 1 32 ASP CG C -8.196 2.137 9.573 1.00 . A A . 32 ASP CG 1 1 15 10855 1 1 32 ASP H H -6.519 1.161 6.282 1.00 . A A . 32 ASP H 1 1 15 10856 1 1 32 ASP HA H -8.321 3.219 7.224 1.00 . A A . 32 ASP HA 1 1 15 10857 1 1 32 ASP HB2 H -6.649 1.173 8.445 1.00 . A A . 32 ASP HB2 1 1 15 10858 1 1 32 ASP HB3 H -6.198 2.740 9.086 1.00 . A A . 32 ASP HB3 1 1 15 10859 1 1 32 ASP HD2 H -8.125 0.256 9.509 1.00 . A A . 32 ASP HD2 1 1 15 10860 1 1 32 ASP N N -7.242 1.845 6.185 1.00 . A A . 32 ASP N 1 1 15 10861 1 1 32 ASP O O -5.919 4.678 7.905 1.00 . A A . 32 ASP O 1 1 15 10862 1 1 32 ASP OD1 O -8.540 3.138 10.218 1.00 . A A . 32 ASP OD1 1 1 15 10863 1 1 32 ASP OD2 O -8.787 0.992 9.649 1.00 . A A . 32 ASP OD2 1 1 15 10864 1 1 33 LEU C C -5.429 6.278 5.172 1.00 . A A . 33 LEU C 1 1 15 10865 1 1 33 LEU CA C -4.758 4.921 5.392 1.00 . A A . 33 LEU CA 1 1 15 10866 1 1 33 LEU CB C -3.960 4.427 4.183 1.00 . A A . 33 LEU CB 1 1 15 10867 1 1 33 LEU CD1 C -2.271 2.827 3.211 1.00 . A A . 33 LEU CD1 1 1 15 10868 1 1 33 LEU CD2 C -1.683 4.221 5.247 1.00 . A A . 33 LEU CD2 1 1 15 10869 1 1 33 LEU CG C -2.792 3.488 4.488 1.00 . A A . 33 LEU CG 1 1 15 10870 1 1 33 LEU H H -6.040 3.317 5.043 1.00 . A A . 33 LEU H 1 1 15 10871 1 1 33 LEU HA H -4.059 5.012 6.223 1.00 . A A . 33 LEU HA 1 1 15 10872 1 1 33 LEU HB2 H -4.644 3.915 3.506 1.00 . A A . 33 LEU HB2 1 1 15 10873 1 1 33 LEU HB3 H -3.573 5.295 3.649 1.00 . A A . 33 LEU HB3 1 1 15 10874 1 1 33 LEU HD11 H -1.517 2.083 3.468 1.00 . A A . 33 LEU HD11 1 1 15 10875 1 1 33 LEU HD12 H -3.097 2.342 2.690 1.00 . A A . 33 LEU HD12 1 1 15 10876 1 1 33 LEU HD13 H -1.828 3.584 2.564 1.00 . A A . 33 LEU HD13 1 1 15 10877 1 1 33 LEU HD21 H -0.827 3.557 5.370 1.00 . A A . 33 LEU HD21 1 1 15 10878 1 1 33 LEU HD22 H -1.381 5.104 4.685 1.00 . A A . 33 LEU HD22 1 1 15 10879 1 1 33 LEU HD23 H -2.053 4.522 6.228 1.00 . A A . 33 LEU HD23 1 1 15 10880 1 1 33 LEU HG H -3.154 2.691 5.138 1.00 . A A . 33 LEU HG 1 1 15 10881 1 1 33 LEU N N -5.763 3.943 5.772 1.00 . A A . 33 LEU N 1 1 15 10882 1 1 33 LEU O O -6.646 6.354 5.011 1.00 . A A . 33 LEU O 1 1 15 10883 1 1 34 PRO C C -5.444 8.937 3.509 1.00 . A A . 34 PRO C 1 1 15 10884 1 1 34 PRO CA C -5.084 8.694 4.976 1.00 . A A . 34 PRO CA 1 1 15 10885 1 1 34 PRO CB C -3.970 9.602 5.472 1.00 . A A . 34 PRO CB 1 1 15 10886 1 1 34 PRO CD C -3.138 7.293 5.361 1.00 . A A . 34 PRO CD 1 1 15 10887 1 1 34 PRO CG C -2.714 8.746 5.495 1.00 . A A . 34 PRO CG 1 1 15 10888 1 1 34 PRO HA H -5.930 8.830 5.492 1.00 . A A . 34 PRO HA 1 1 15 10889 1 1 34 PRO HB2 H -3.845 10.462 4.815 1.00 . A A . 34 PRO HB2 1 1 15 10890 1 1 34 PRO HB3 H -4.196 9.990 6.466 1.00 . A A . 34 PRO HB3 1 1 15 10891 1 1 34 PRO HD2 H -2.646 6.813 4.515 1.00 . A A . 34 PRO HD2 1 1 15 10892 1 1 34 PRO HD3 H -2.874 6.720 6.250 1.00 . A A . 34 PRO HD3 1 1 15 10893 1 1 34 PRO HG2 H -2.047 9.026 4.679 1.00 . A A . 34 PRO HG2 1 1 15 10894 1 1 34 PRO HG3 H -2.164 8.900 6.423 1.00 . A A . 34 PRO HG3 1 1 15 10895 1 1 34 PRO N N -4.585 7.344 5.173 1.00 . A A . 34 PRO N 1 1 15 10896 1 1 34 PRO O O -5.156 8.106 2.650 1.00 . A A . 34 PRO O 1 1 15 10897 1 1 35 ALA C C -5.344 11.231 1.250 1.00 . A A . 35 ALA C 1 1 15 10898 1 1 35 ALA CA C -6.472 10.443 1.920 1.00 . A A . 35 ALA CA 1 1 15 10899 1 1 35 ALA CB C -7.782 11.232 1.973 1.00 . A A . 35 ALA CB 1 1 15 10900 1 1 35 ALA H H -6.300 10.751 3.973 1.00 . A A . 35 ALA H 1 1 15 10901 1 1 35 ALA HA H -6.639 9.521 1.364 1.00 . A A . 35 ALA HA 1 1 15 10902 1 1 35 ALA HB1 H -8.086 11.500 0.961 1.00 . A A . 35 ALA HB1 1 1 15 10903 1 1 35 ALA HB2 H -8.556 10.618 2.434 1.00 . A A . 35 ALA HB2 1 1 15 10904 1 1 35 ALA HB3 H -7.638 12.137 2.562 1.00 . A A . 35 ALA HB3 1 1 15 10905 1 1 35 ALA N N -6.069 10.081 3.268 1.00 . A A . 35 ALA N 1 1 15 10906 1 1 35 ALA O O -5.535 11.807 0.180 1.00 . A A . 35 ALA O 1 1 15 10907 1 1 36 ASP C C -1.883 10.951 1.199 1.00 . A A . 36 ASP C 1 1 15 10908 1 1 36 ASP CA C -3.036 11.939 1.389 1.00 . A A . 36 ASP CA 1 1 15 10909 1 1 36 ASP CB C -2.572 13.025 2.363 1.00 . A A . 36 ASP CB 1 1 15 10910 1 1 36 ASP CG C -2.476 14.430 1.766 1.00 . A A . 36 ASP CG 1 1 15 10911 1 1 36 ASP H H -4.047 10.761 2.778 1.00 . A A . 36 ASP H 1 1 15 10912 1 1 36 ASP HA H -3.367 12.380 0.449 1.00 . A A . 36 ASP HA 1 1 15 10913 1 1 36 ASP HB2 H -3.260 13.051 3.208 1.00 . A A . 36 ASP HB2 1 1 15 10914 1 1 36 ASP HB3 H -1.595 12.746 2.756 1.00 . A A . 36 ASP HB3 1 1 15 10915 1 1 36 ASP HD2 H -2.347 15.103 3.521 1.00 . A A . 36 ASP HD2 1 1 15 10916 1 1 36 ASP N N -4.194 11.231 1.908 1.00 . A A . 36 ASP N 1 1 15 10917 1 1 36 ASP O O -0.769 11.349 0.863 1.00 . A A . 36 ASP O 1 1 15 10918 1 1 36 ASP OD1 O -2.762 14.641 0.578 1.00 . A A . 36 ASP OD1 1 1 15 10919 1 1 36 ASP OD2 O -2.084 15.345 2.587 1.00 . A A . 36 ASP OD2 1 1 15 10920 1 1 37 TRP C C -1.135 8.237 -0.197 1.00 . A A . 37 TRP C 1 1 15 10921 1 1 37 TRP CA C -1.194 8.634 1.279 1.00 . A A . 37 TRP CA 1 1 15 10922 1 1 37 TRP CB C -1.502 7.455 2.204 1.00 . A A . 37 TRP CB 1 1 15 10923 1 1 37 TRP CD1 C 0.557 6.330 3.279 1.00 . A A . 37 TRP CD1 1 1 15 10924 1 1 37 TRP CD2 C -0.068 5.377 1.379 1.00 . A A . 37 TRP CD2 1 1 15 10925 1 1 37 TRP CE2 C 1.033 4.687 1.845 1.00 . A A . 37 TRP CE2 1 1 15 10926 1 1 37 TRP CE3 C -0.707 5.015 0.180 1.00 . A A . 37 TRP CE3 1 1 15 10927 1 1 37 TRP CG C -0.366 6.436 2.313 1.00 . A A . 37 TRP CG 1 1 15 10928 1 1 37 TRP CH2 C 0.970 3.213 -0.023 1.00 . A A . 37 TRP CH2 1 1 15 10929 1 1 37 TRP CZ2 C 1.590 3.592 1.174 1.00 . A A . 37 TRP CZ2 1 1 15 10930 1 1 37 TRP CZ3 C -0.137 3.918 -0.478 1.00 . A A . 37 TRP CZ3 1 1 15 10931 1 1 37 TRP H H -3.099 9.367 1.695 1.00 . A A . 37 TRP H 1 1 15 10932 1 1 37 TRP HA H -0.234 9.042 1.594 1.00 . A A . 37 TRP HA 1 1 15 10933 1 1 37 TRP HB2 H -1.731 7.837 3.199 1.00 . A A . 37 TRP HB2 1 1 15 10934 1 1 37 TRP HB3 H -2.398 6.948 1.844 1.00 . A A . 37 TRP HB3 1 1 15 10935 1 1 37 TRP HD1 H 0.615 6.987 4.147 1.00 . A A . 37 TRP HD1 1 1 15 10936 1 1 37 TRP HE1 H 2.263 4.983 3.665 1.00 . A A . 37 TRP HE1 1 1 15 10937 1 1 37 TRP HE3 H -1.577 5.544 -0.209 1.00 . A A . 37 TRP HE3 1 1 15 10938 1 1 37 TRP HH2 H 1.354 2.368 -0.594 1.00 . A A . 37 TRP HH2 1 1 15 10939 1 1 37 TRP HZ2 H 2.460 3.063 1.563 1.00 . A A . 37 TRP HZ2 1 1 15 10940 1 1 37 TRP HZ3 H -0.594 3.595 -1.413 1.00 . A A . 37 TRP HZ3 1 1 15 10941 1 1 37 TRP N N -2.191 9.682 1.422 1.00 . A A . 37 TRP N 1 1 15 10942 1 1 37 TRP NE1 N 1.425 5.285 3.037 1.00 . A A . 37 TRP NE1 1 1 15 10943 1 1 37 TRP O O -2.156 8.223 -0.882 1.00 . A A . 37 TRP O 1 1 15 10944 1 1 38 VAL C C 1.559 6.694 -2.128 1.00 . A A . 38 VAL C 1 1 15 10945 1 1 38 VAL CA C 0.279 7.526 -2.026 1.00 . A A . 38 VAL CA 1 1 15 10946 1 1 38 VAL CB C 0.296 8.762 -2.929 1.00 . A A . 38 VAL CB 1 1 15 10947 1 1 38 VAL CG1 C -1.110 9.347 -3.083 1.00 . A A . 38 VAL CG1 1 1 15 10948 1 1 38 VAL CG2 C 1.272 9.814 -2.399 1.00 . A A . 38 VAL CG2 1 1 15 10949 1 1 38 VAL H H 0.899 7.937 -0.080 1.00 . A A . 38 VAL H 1 1 15 10950 1 1 38 VAL HA H -0.567 6.905 -2.320 1.00 . A A . 38 VAL HA 1 1 15 10951 1 1 38 VAL HB H 0.640 8.452 -3.915 1.00 . A A . 38 VAL HB 1 1 15 10952 1 1 38 VAL HG11 H -1.211 9.791 -4.073 1.00 . A A . 38 VAL HG11 1 1 15 10953 1 1 38 VAL HG12 H -1.848 8.554 -2.964 1.00 . A A . 38 VAL HG12 1 1 15 10954 1 1 38 VAL HG13 H -1.271 10.111 -2.323 1.00 . A A . 38 VAL HG13 1 1 15 10955 1 1 38 VAL HG21 H 0.748 10.489 -1.723 1.00 . A A . 38 VAL HG21 1 1 15 10956 1 1 38 VAL HG22 H 2.083 9.320 -1.863 1.00 . A A . 38 VAL HG22 1 1 15 10957 1 1 38 VAL HG23 H 1.682 10.382 -3.235 1.00 . A A . 38 VAL HG23 1 1 15 10958 1 1 38 VAL N N 0.073 7.923 -0.644 1.00 . A A . 38 VAL N 1 1 15 10959 1 1 38 VAL O O 2.538 6.968 -1.436 1.00 . A A . 38 VAL O 1 1 15 10960 1 1 39 CYS C C 3.921 5.677 -3.176 1.00 . A A . 39 CYS C 1 1 15 10961 1 1 39 CYS CA C 2.653 4.821 -3.198 1.00 . A A . 39 CYS CA 1 1 15 10962 1 1 39 CYS CB C 2.530 4.017 -4.494 1.00 . A A . 39 CYS CB 1 1 15 10963 1 1 39 CYS H H 0.709 5.479 -3.556 1.00 . A A . 39 CYS H 1 1 15 10964 1 1 39 CYS HA H 2.653 4.109 -2.373 1.00 . A A . 39 CYS HA 1 1 15 10965 1 1 39 CYS HB2 H 1.751 3.266 -4.366 1.00 . A A . 39 CYS HB2 1 1 15 10966 1 1 39 CYS HB3 H 2.201 4.686 -5.290 1.00 . A A . 39 CYS HB3 1 1 15 10967 1 1 39 CYS N N 1.510 5.695 -2.997 1.00 . A A . 39 CYS N 1 1 15 10968 1 1 39 CYS O O 4.235 6.354 -4.154 1.00 . A A . 39 CYS O 1 1 15 10969 1 1 39 CYS SG S 4.068 3.182 -5.028 1.00 . A A . 39 CYS SG 1 1 15 10970 1 1 40 PRO C C 7.011 5.740 -2.640 1.00 . A A . 40 PRO C 1 1 15 10971 1 1 40 PRO CA C 5.862 6.379 -1.857 1.00 . A A . 40 PRO CA 1 1 15 10972 1 1 40 PRO CB C 6.110 6.410 -0.358 1.00 . A A . 40 PRO CB 1 1 15 10973 1 1 40 PRO CD C 4.294 4.827 -0.841 1.00 . A A . 40 PRO CD 1 1 15 10974 1 1 40 PRO CG C 5.277 5.281 0.226 1.00 . A A . 40 PRO CG 1 1 15 10975 1 1 40 PRO HA H 5.752 7.299 -2.234 1.00 . A A . 40 PRO HA 1 1 15 10976 1 1 40 PRO HB2 H 7.167 6.272 -0.134 1.00 . A A . 40 PRO HB2 1 1 15 10977 1 1 40 PRO HB3 H 5.817 7.371 0.066 1.00 . A A . 40 PRO HB3 1 1 15 10978 1 1 40 PRO HD2 H 4.390 3.759 -1.039 1.00 . A A . 40 PRO HD2 1 1 15 10979 1 1 40 PRO HD3 H 3.264 5.002 -0.530 1.00 . A A . 40 PRO HD3 1 1 15 10980 1 1 40 PRO HG2 H 5.917 4.454 0.533 1.00 . A A . 40 PRO HG2 1 1 15 10981 1 1 40 PRO HG3 H 4.745 5.619 1.116 1.00 . A A . 40 PRO HG3 1 1 15 10982 1 1 40 PRO N N 4.635 5.618 -2.019 1.00 . A A . 40 PRO N 1 1 15 10983 1 1 40 PRO O O 8.101 5.548 -2.103 1.00 . A A . 40 PRO O 1 1 15 10984 1 1 41 VAL C C 7.649 5.449 -6.148 1.00 . A A . 41 VAL C 1 1 15 10985 1 1 41 VAL CA C 7.724 4.816 -4.758 1.00 . A A . 41 VAL CA 1 1 15 10986 1 1 41 VAL CB C 7.533 3.298 -4.781 1.00 . A A . 41 VAL CB 1 1 15 10987 1 1 41 VAL CG1 C 8.631 2.620 -5.603 1.00 . A A . 41 VAL CG1 1 1 15 10988 1 1 41 VAL CG2 C 7.481 2.730 -3.362 1.00 . A A . 41 VAL CG2 1 1 15 10989 1 1 41 VAL H H 5.839 5.588 -4.325 1.00 . A A . 41 VAL H 1 1 15 10990 1 1 41 VAL HA H 8.704 5.026 -4.329 1.00 . A A . 41 VAL HA 1 1 15 10991 1 1 41 VAL HB H 6.578 3.088 -5.261 1.00 . A A . 41 VAL HB 1 1 15 10992 1 1 41 VAL HG11 H 8.618 1.547 -5.412 1.00 . A A . 41 VAL HG11 1 1 15 10993 1 1 41 VAL HG12 H 8.457 2.803 -6.664 1.00 . A A . 41 VAL HG12 1 1 15 10994 1 1 41 VAL HG13 H 9.602 3.027 -5.319 1.00 . A A . 41 VAL HG13 1 1 15 10995 1 1 41 VAL HG21 H 6.457 2.446 -3.121 1.00 . A A . 41 VAL HG21 1 1 15 10996 1 1 41 VAL HG22 H 8.127 1.854 -3.297 1.00 . A A . 41 VAL HG22 1 1 15 10997 1 1 41 VAL HG23 H 7.824 3.486 -2.655 1.00 . A A . 41 VAL HG23 1 1 15 10998 1 1 41 VAL N N 6.728 5.429 -3.896 1.00 . A A . 41 VAL N 1 1 15 10999 1 1 41 VAL O O 8.668 5.854 -6.707 1.00 . A A . 41 VAL O 1 1 15 11000 1 1 42 CYS C C 5.375 7.365 -7.814 1.00 . A A . 42 CYS C 1 1 15 11001 1 1 42 CYS CA C 6.210 6.094 -7.983 1.00 . A A . 42 CYS CA 1 1 15 11002 1 1 42 CYS CB C 5.545 5.096 -8.934 1.00 . A A . 42 CYS CB 1 1 15 11003 1 1 42 CYS H H 5.608 5.185 -6.207 1.00 . A A . 42 CYS H 1 1 15 11004 1 1 42 CYS HA H 7.193 6.328 -8.392 1.00 . A A . 42 CYS HA 1 1 15 11005 1 1 42 CYS HB2 H 5.699 5.435 -9.958 1.00 . A A . 42 CYS HB2 1 1 15 11006 1 1 42 CYS HB3 H 6.048 4.134 -8.837 1.00 . A A . 42 CYS HB3 1 1 15 11007 1 1 42 CYS N N 6.432 5.516 -6.668 1.00 . A A . 42 CYS N 1 1 15 11008 1 1 42 CYS O O 5.540 8.324 -8.566 1.00 . A A . 42 CYS O 1 1 15 11009 1 1 42 CYS SG S 3.753 4.852 -8.660 1.00 . A A . 42 CYS SG 1 1 15 11010 1 1 43 GLY C C 2.159 8.076 -6.651 1.00 . A A . 43 GLY C 1 1 15 11011 1 1 43 GLY CA C 3.634 8.467 -6.547 1.00 . A A . 43 GLY CA 1 1 15 11012 1 1 43 GLY H H 4.367 6.545 -6.217 1.00 . A A . 43 GLY H 1 1 15 11013 1 1 43 GLY HA2 H 3.843 8.852 -5.549 1.00 . A A . 43 GLY HA2 1 1 15 11014 1 1 43 GLY HA3 H 3.851 9.271 -7.250 1.00 . A A . 43 GLY HA3 1 1 15 11015 1 1 43 GLY N N 4.496 7.330 -6.824 1.00 . A A . 43 GLY N 1 1 15 11016 1 1 43 GLY O O 1.312 8.648 -5.967 1.00 . A A . 43 GLY O 1 1 15 11017 1 1 44 ALA C C -0.266 6.838 -6.429 1.00 . A A . 44 ALA C 1 1 15 11018 1 1 44 ALA CA C 0.539 6.628 -7.713 1.00 . A A . 44 ALA CA 1 1 15 11019 1 1 44 ALA CB C 0.570 5.162 -8.149 1.00 . A A . 44 ALA CB 1 1 15 11020 1 1 44 ALA H H 2.592 6.643 -8.064 1.00 . A A . 44 ALA H 1 1 15 11021 1 1 44 ALA HA H 0.095 7.223 -8.512 1.00 . A A . 44 ALA HA 1 1 15 11022 1 1 44 ALA HB1 H 1.385 4.649 -7.640 1.00 . A A . 44 ALA HB1 1 1 15 11023 1 1 44 ALA HB2 H -0.377 4.686 -7.891 1.00 . A A . 44 ALA HB2 1 1 15 11024 1 1 44 ALA HB3 H 0.722 5.107 -9.227 1.00 . A A . 44 ALA HB3 1 1 15 11025 1 1 44 ALA N N 1.897 7.103 -7.511 1.00 . A A . 44 ALA N 1 1 15 11026 1 1 44 ALA O O 0.266 6.701 -5.329 1.00 . A A . 44 ALA O 1 1 15 11027 1 1 45 PRO C C -2.855 6.084 -4.826 1.00 . A A . 45 PRO C 1 1 15 11028 1 1 45 PRO CA C -2.454 7.405 -5.487 1.00 . A A . 45 PRO CA 1 1 15 11029 1 1 45 PRO CB C -3.639 8.164 -6.061 1.00 . A A . 45 PRO CB 1 1 15 11030 1 1 45 PRO CD C -2.236 7.346 -7.905 1.00 . A A . 45 PRO CD 1 1 15 11031 1 1 45 PRO CG C -3.598 7.927 -7.562 1.00 . A A . 45 PRO CG 1 1 15 11032 1 1 45 PRO HA H -1.983 7.932 -4.779 1.00 . A A . 45 PRO HA 1 1 15 11033 1 1 45 PRO HB2 H -4.576 7.808 -5.635 1.00 . A A . 45 PRO HB2 1 1 15 11034 1 1 45 PRO HB3 H -3.569 9.228 -5.832 1.00 . A A . 45 PRO HB3 1 1 15 11035 1 1 45 PRO HD2 H -2.331 6.395 -8.430 1.00 . A A . 45 PRO HD2 1 1 15 11036 1 1 45 PRO HD3 H -1.673 8.014 -8.556 1.00 . A A . 45 PRO HD3 1 1 15 11037 1 1 45 PRO HG2 H -4.391 7.242 -7.862 1.00 . A A . 45 PRO HG2 1 1 15 11038 1 1 45 PRO HG3 H -3.761 8.860 -8.101 1.00 . A A . 45 PRO HG3 1 1 15 11039 1 1 45 PRO N N -1.570 7.175 -6.617 1.00 . A A . 45 PRO N 1 1 15 11040 1 1 45 PRO O O -2.770 5.025 -5.447 1.00 . A A . 45 PRO O 1 1 15 11041 1 1 46 LYS C C -4.843 4.322 -3.564 1.00 . A A . 46 LYS C 1 1 15 11042 1 1 46 LYS CA C -3.697 5.016 -2.826 1.00 . A A . 46 LYS CA 1 1 15 11043 1 1 46 LYS CB C -4.035 5.396 -1.383 1.00 . A A . 46 LYS CB 1 1 15 11044 1 1 46 LYS CD C -6.453 4.970 -0.805 1.00 . A A . 46 LYS CD 1 1 15 11045 1 1 46 LYS CE C -6.395 4.817 0.717 1.00 . A A . 46 LYS CE 1 1 15 11046 1 1 46 LYS CG C -5.436 6.005 -1.290 1.00 . A A . 46 LYS CG 1 1 15 11047 1 1 46 LYS H H -3.349 7.055 -3.080 1.00 . A A . 46 LYS H 1 1 15 11048 1 1 46 LYS HA H -2.847 4.335 -2.789 1.00 . A A . 46 LYS HA 1 1 15 11049 1 1 46 LYS HB2 H -3.976 4.513 -0.747 1.00 . A A . 46 LYS HB2 1 1 15 11050 1 1 46 LYS HB3 H -3.299 6.108 -1.008 1.00 . A A . 46 LYS HB3 1 1 15 11051 1 1 46 LYS HD2 H -7.456 5.272 -1.105 1.00 . A A . 46 LYS HD2 1 1 15 11052 1 1 46 LYS HD3 H -6.254 4.009 -1.278 1.00 . A A . 46 LYS HD3 1 1 15 11053 1 1 46 LYS HE2 H -6.884 3.889 1.013 1.00 . A A . 46 LYS HE2 1 1 15 11054 1 1 46 LYS HE3 H -5.357 4.748 1.042 1.00 . A A . 46 LYS HE3 1 1 15 11055 1 1 46 LYS HG2 H -5.422 6.855 -0.608 1.00 . A A . 46 LYS HG2 1 1 15 11056 1 1 46 LYS HG3 H -5.736 6.385 -2.266 1.00 . A A . 46 LYS HG3 1 1 15 11057 1 1 46 LYS HZ1 H -8.040 5.796 1.540 1.00 . A A . 46 LYS HZ1 1 1 15 11058 1 1 46 LYS HZ3 H -6.988 6.812 0.825 1.00 . A A . 46 LYS HZ3 1 1 15 11059 1 1 46 LYS N N -3.283 6.189 -3.577 1.00 . A A . 46 LYS N 1 1 15 11060 1 1 46 LYS NZ N -7.053 5.965 1.379 1.00 . A A . 46 LYS NZ 1 1 15 11061 1 1 46 LYS O O -5.087 3.134 -3.361 1.00 . A A . 46 LYS O 1 1 15 11062 1 1 47 SER C C -6.119 3.603 -6.246 1.00 . A A . 47 SER C 1 1 15 11063 1 1 47 SER CA C -6.631 4.567 -5.175 1.00 . A A . 47 SER CA 1 1 15 11064 1 1 47 SER CB C -7.437 5.697 -5.819 1.00 . A A . 47 SER CB 1 1 15 11065 1 1 47 SER H H -5.312 6.059 -4.564 1.00 . A A . 47 SER H 1 1 15 11066 1 1 47 SER HA H -7.257 4.041 -4.453 1.00 . A A . 47 SER HA 1 1 15 11067 1 1 47 SER HB2 H -7.255 6.626 -5.279 1.00 . A A . 47 SER HB2 1 1 15 11068 1 1 47 SER HB3 H -7.093 5.850 -6.842 1.00 . A A . 47 SER HB3 1 1 15 11069 1 1 47 SER HG H -9.219 5.575 -4.916 1.00 . A A . 47 SER HG 1 1 15 11070 1 1 47 SER N N -5.516 5.093 -4.405 1.00 . A A . 47 SER N 1 1 15 11071 1 1 47 SER O O -6.907 2.929 -6.907 1.00 . A A . 47 SER O 1 1 15 11072 1 1 47 SER OG O -8.835 5.419 -5.825 1.00 . A A . 47 SER OG 1 1 15 11073 1 1 48 GLU C C -3.492 1.519 -6.667 1.00 . A A . 48 GLU C 1 1 15 11074 1 1 48 GLU CA C -4.175 2.697 -7.364 1.00 . A A . 48 GLU CA 1 1 15 11075 1 1 48 GLU CB C -3.180 3.473 -8.230 1.00 . A A . 48 GLU CB 1 1 15 11076 1 1 48 GLU CD C -3.081 4.946 -10.274 1.00 . A A . 48 GLU CD 1 1 15 11077 1 1 48 GLU CG C -3.888 4.568 -9.031 1.00 . A A . 48 GLU CG 1 1 15 11078 1 1 48 GLU H H -4.167 4.120 -5.842 1.00 . A A . 48 GLU H 1 1 15 11079 1 1 48 GLU HA H -4.988 2.335 -7.992 1.00 . A A . 48 GLU HA 1 1 15 11080 1 1 48 GLU HB2 H -2.412 3.919 -7.598 1.00 . A A . 48 GLU HB2 1 1 15 11081 1 1 48 GLU HB3 H -2.674 2.788 -8.911 1.00 . A A . 48 GLU HB3 1 1 15 11082 1 1 48 GLU HE2 H -3.807 6.539 -10.968 1.00 . A A . 48 GLU HE2 1 1 15 11083 1 1 48 GLU HG2 H -4.879 4.223 -9.327 1.00 . A A . 48 GLU HG2 1 1 15 11084 1 1 48 GLU HG3 H -4.031 5.447 -8.403 1.00 . A A . 48 GLU HG3 1 1 15 11085 1 1 48 GLU N N -4.801 3.568 -6.384 1.00 . A A . 48 GLU N 1 1 15 11086 1 1 48 GLU O O -2.443 1.054 -7.110 1.00 . A A . 48 GLU O 1 1 15 11087 1 1 48 GLU OE1 O -2.577 4.060 -10.980 1.00 . A A . 48 GLU OE1 1 1 15 11088 1 1 48 GLU OE2 O -2.986 6.213 -10.498 1.00 . A A . 48 GLU OE2 1 1 15 11089 1 1 49 PHE C C -4.609 -1.172 -4.706 1.00 . A A . 49 PHE C 1 1 15 11090 1 1 49 PHE CA C -3.580 -0.046 -4.825 1.00 . A A . 49 PHE CA 1 1 15 11091 1 1 49 PHE CB C -3.257 0.483 -3.426 1.00 . A A . 49 PHE CB 1 1 15 11092 1 1 49 PHE CD1 C -1.061 -0.622 -2.945 1.00 . A A . 49 PHE CD1 1 1 15 11093 1 1 49 PHE CD2 C -1.129 1.732 -2.996 1.00 . A A . 49 PHE CD2 1 1 15 11094 1 1 49 PHE CE1 C 0.327 -0.576 -2.652 1.00 . A A . 49 PHE CE1 1 1 15 11095 1 1 49 PHE CE2 C 0.260 1.778 -2.703 1.00 . A A . 49 PHE CE2 1 1 15 11096 1 1 49 PHE CG C -1.760 0.532 -3.111 1.00 . A A . 49 PHE CG 1 1 15 11097 1 1 49 PHE CZ C 0.959 0.623 -2.537 1.00 . A A . 49 PHE CZ 1 1 15 11098 1 1 49 PHE H H -4.968 1.453 -5.233 1.00 . A A . 49 PHE H 1 1 15 11099 1 1 49 PHE HA H -2.704 -0.413 -5.359 1.00 . A A . 49 PHE HA 1 1 15 11100 1 1 49 PHE HB2 H -3.673 1.485 -3.322 1.00 . A A . 49 PHE HB2 1 1 15 11101 1 1 49 PHE HB3 H -3.752 -0.147 -2.687 1.00 . A A . 49 PHE HB3 1 1 15 11102 1 1 49 PHE HD1 H -1.567 -1.584 -3.036 1.00 . A A . 49 PHE HD1 1 1 15 11103 1 1 49 PHE HD2 H -1.689 2.657 -3.129 1.00 . A A . 49 PHE HD2 1 1 15 11104 1 1 49 PHE HE1 H 0.887 -1.502 -2.519 1.00 . A A . 49 PHE HE1 1 1 15 11105 1 1 49 PHE HE2 H 0.766 2.739 -2.612 1.00 . A A . 49 PHE HE2 1 1 15 11106 1 1 49 PHE HZ H 2.025 0.658 -2.313 1.00 . A A . 49 PHE HZ 1 1 15 11107 1 1 49 PHE N N -4.115 1.069 -5.587 1.00 . A A . 49 PHE N 1 1 15 11108 1 1 49 PHE O O -5.793 -0.916 -4.491 1.00 . A A . 49 PHE O 1 1 15 11109 1 1 50 GLU C C -4.297 -4.669 -3.960 1.00 . A A . 50 GLU C 1 1 15 11110 1 1 50 GLU CA C -4.983 -3.561 -4.762 1.00 . A A . 50 GLU CA 1 1 15 11111 1 1 50 GLU CB C -5.379 -4.057 -6.154 1.00 . A A . 50 GLU CB 1 1 15 11112 1 1 50 GLU CD C -6.919 -5.743 -7.225 1.00 . A A . 50 GLU CD 1 1 15 11113 1 1 50 GLU CG C -5.922 -5.486 -6.093 1.00 . A A . 50 GLU CG 1 1 15 11114 1 1 50 GLU H H -3.156 -2.595 -5.025 1.00 . A A . 50 GLU H 1 1 15 11115 1 1 50 GLU HA H -5.876 -3.222 -4.237 1.00 . A A . 50 GLU HA 1 1 15 11116 1 1 50 GLU HB2 H -6.134 -3.395 -6.579 1.00 . A A . 50 GLU HB2 1 1 15 11117 1 1 50 GLU HB3 H -4.514 -4.021 -6.817 1.00 . A A . 50 GLU HB3 1 1 15 11118 1 1 50 GLU HE2 H -8.596 -6.600 -7.219 1.00 . A A . 50 GLU HE2 1 1 15 11119 1 1 50 GLU HG2 H -5.097 -6.196 -6.163 1.00 . A A . 50 GLU HG2 1 1 15 11120 1 1 50 GLU HG3 H -6.406 -5.654 -5.131 1.00 . A A . 50 GLU HG3 1 1 15 11121 1 1 50 GLU N N -4.120 -2.395 -4.851 1.00 . A A . 50 GLU N 1 1 15 11122 1 1 50 GLU O O -3.078 -4.822 -4.023 1.00 . A A . 50 GLU O 1 1 15 11123 1 1 50 GLU OE1 O -7.000 -4.947 -8.172 1.00 . A A . 50 GLU OE1 1 1 15 11124 1 1 50 GLU OE2 O -7.627 -6.814 -7.096 1.00 . A A . 50 GLU OE2 1 1 15 11125 1 1 51 ALA C C -4.254 -7.689 -3.313 1.00 . A A . 51 ALA C 1 1 15 11126 1 1 51 ALA CA C -4.597 -6.502 -2.410 1.00 . A A . 51 ALA CA 1 1 15 11127 1 1 51 ALA CB C -5.624 -6.864 -1.336 1.00 . A A . 51 ALA CB 1 1 15 11128 1 1 51 ALA H H -6.100 -5.281 -3.178 1.00 . A A . 51 ALA H 1 1 15 11129 1 1 51 ALA HA H -3.687 -6.151 -1.923 1.00 . A A . 51 ALA HA 1 1 15 11130 1 1 51 ALA HB1 H -5.329 -7.794 -0.849 1.00 . A A . 51 ALA HB1 1 1 15 11131 1 1 51 ALA HB2 H -5.672 -6.066 -0.595 1.00 . A A . 51 ALA HB2 1 1 15 11132 1 1 51 ALA HB3 H -6.603 -6.991 -1.797 1.00 . A A . 51 ALA HB3 1 1 15 11133 1 1 51 ALA N N -5.110 -5.413 -3.224 1.00 . A A . 51 ALA N 1 1 15 11134 1 1 51 ALA O O -5.146 -8.347 -3.845 1.00 . A A . 51 ALA O 1 1 15 11135 1 1 52 ALA C C -0.956 -9.039 -4.277 1.00 . A A . 52 ALA C 1 1 15 11136 1 1 52 ALA CA C -2.486 -9.022 -4.286 1.00 . A A . 52 ALA CA 1 1 15 11137 1 1 52 ALA CB C -3.059 -8.879 -5.697 1.00 . A A . 52 ALA CB 1 1 15 11138 1 1 52 ALA H H -2.239 -7.385 -3.021 1.00 . A A . 52 ALA H 1 1 15 11139 1 1 52 ALA HA H -2.854 -9.950 -3.849 1.00 . A A . 52 ALA HA 1 1 15 11140 1 1 52 ALA HB1 H -4.061 -9.308 -5.727 1.00 . A A . 52 ALA HB1 1 1 15 11141 1 1 52 ALA HB2 H -3.107 -7.823 -5.964 1.00 . A A . 52 ALA HB2 1 1 15 11142 1 1 52 ALA HB3 H -2.417 -9.404 -6.404 1.00 . A A . 52 ALA HB3 1 1 15 11143 1 1 52 ALA N N -2.958 -7.926 -3.457 1.00 . A A . 52 ALA N 1 1 15 11144 1 1 52 ALA O O -0.345 -10.078 -4.029 1.00 . A A . 52 ALA O 1 1 15 11145 2 2 1 NI NI NI 3.683 2.841 -7.371 1.00 . B A . 53 NI NI 1 1 stop_ save_
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