NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
616401 | 5lo2 | 34031 | cing | 4-filtered-FRED | STAR | entry | full | 436 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5lo2 # This FRED archive file contains, for PDB entry <5lo2>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_5lo2 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 5lo2 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 3819.25 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 $PPaTyr A . 1 1 stop_ save_ save_PPaTyr _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name PPaTyr _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code XPPTKPTKPGDNATPEKLAKYQADLAKYQKDLADYX _Entity.Number_of_monomers 36 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 ACE $ACE 1 1 2 PRO . 1 1 3 PRO . 1 1 4 THR . 1 1 5 LYS . 1 1 6 PRO . 1 1 7 THR . 1 1 8 LYS . 1 1 9 PRO . 1 1 10 GLY . 1 1 11 ASP . 1 1 12 ASN . 1 1 13 ALA . 1 1 14 THR . 1 1 15 PRO . 1 1 16 GLU . 1 1 17 LYS . 1 1 18 LEU . 1 1 19 ALA . 1 1 20 LYS . 1 1 21 TYR . 1 1 22 GLN . 1 1 23 ALA . 1 1 24 ASP . 1 1 25 LEU . 1 1 26 ALA . 1 1 27 LYS . 1 1 28 TYR . 1 1 29 GLN . 1 1 30 LYS . 1 1 31 ASP . 1 1 32 LEU . 1 1 33 ALA . 1 1 34 ASP . 1 1 35 TYR . 1 1 36 NH2 $NH2 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 ACE 1 1 1 1 PRO 2 2 1 1 PRO 3 3 1 1 THR 4 4 1 1 LYS 5 5 1 1 PRO 6 6 1 1 THR 7 7 1 1 LYS 8 8 1 1 PRO 9 9 1 1 GLY 10 10 1 1 ASP 11 11 1 1 ASN 12 12 1 1 ALA 13 13 1 1 THR 14 14 1 1 PRO 15 15 1 1 GLU 16 16 1 1 LYS 17 17 1 1 LEU 18 18 1 1 ALA 19 19 1 1 LYS 20 20 1 1 TYR 21 21 1 1 GLN 22 22 1 1 ALA 23 23 1 1 ASP 24 24 1 1 LEU 25 25 1 1 ALA 26 26 1 1 LYS 27 27 1 1 TYR 28 28 1 1 GLN 29 29 1 1 LYS 30 30 1 1 ASP 31 31 1 1 LEU 32 32 1 1 ALA 33 33 1 1 ASP 34 34 1 1 TYR 35 35 1 1 NH2 36 36 1 1 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ACE _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 2 . OR 1 1 13 2 . 3 . 1 1 13 3 . . . 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 2 . OR 1 1 63 2 . 3 . 1 1 63 3 . . . 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 2 . OR 1 1 123 2 . 3 . 1 1 123 3 . . . 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 2 . OR 1 1 130 2 . 3 . 1 1 130 3 . . . 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 2 . OR 1 1 145 2 . 3 . 1 1 145 3 . . . 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 2 . OR 1 1 166 2 . 3 . 1 1 166 3 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 2 . OR 1 1 171 2 . 3 . 1 1 171 3 . . . 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 2 . OR 1 1 178 2 . 3 . 1 1 178 3 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 2 . OR 1 1 181 2 . 3 . 1 1 181 3 . . . 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 2 . OR 1 1 194 2 . 3 . 1 1 194 3 . . . 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 2 . OR 1 1 211 2 . 3 . 1 1 211 3 . 4 . 1 1 211 4 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 2 . OR 1 1 217 2 . 3 . 1 1 217 3 . . . 1 1 218 1 2 . OR 1 1 218 2 . 3 . 1 1 218 3 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 2 . OR 1 1 224 2 . 3 . 1 1 224 3 . . . 1 1 225 1 . . . 1 1 226 1 2 . OR 1 1 226 2 . 3 . 1 1 226 3 . . . 1 1 227 1 . . . 1 1 228 1 2 . OR 1 1 228 2 . 3 . 1 1 228 3 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 2 . OR 1 1 233 2 . 3 . 1 1 233 3 . . . 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 2 . OR 1 1 267 2 . 3 . 1 1 267 3 . 4 . 1 1 267 4 . . . 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 2 . OR 1 1 279 2 . 3 . 1 1 279 3 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 2 . OR 1 1 284 2 . 3 . 1 1 284 3 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 2 . OR 1 1 290 2 . 3 . 1 1 290 3 . . . 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 2 . OR 1 1 297 2 . 3 . 1 1 297 3 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 2 . OR 1 1 303 2 . 3 . 1 1 303 3 . . . 1 1 304 1 . . . 1 1 305 1 2 . OR 1 1 305 2 . 3 . 1 1 305 3 . 4 . 1 1 305 4 . . . 1 1 306 1 2 . OR 1 1 306 2 . 3 . 1 1 306 3 . . . 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 2 . OR 1 1 349 2 . 3 . 1 1 349 3 . . . 1 1 350 1 . . . 1 1 351 1 2 . OR 1 1 351 2 . 3 . 1 1 351 3 . . . 1 1 352 1 . . . 1 1 353 1 . . . 1 1 354 1 2 . OR 1 1 354 2 . 3 . 1 1 354 3 . . . 1 1 355 1 . . . 1 1 356 1 . . . 1 1 357 1 2 . OR 1 1 357 2 . 3 . 1 1 357 3 . . . 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 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 PRO HA A 1 . HA 1 1 1 1 2 1 1 2 PRO HB3 A 1 . HB2 1 1 2 1 1 1 1 2 PRO HA A 1 . HA 1 1 2 1 2 1 1 3 PRO HD2 A 2 . HD2 1 1 3 1 1 1 1 2 PRO HA A 1 . HA 1 1 3 1 2 1 1 3 PRO HD3 A 2 . HD1 1 1 4 1 1 1 1 2 PRO HA A 1 . HA 1 1 4 1 2 1 1 35 TYR QD A 34 . HD1 1 1 5 1 1 1 1 2 PRO HA A 1 . HA 1 1 5 1 2 1 1 35 TYR QE A 34 . HE1 1 1 6 1 1 1 1 2 PRO HB2 A 1 . HB1 1 1 6 1 1 1 1 3 PRO HG2 A 2 . HG2 1 1 6 1 2 1 1 35 TYR QE A 34 . HE1 1 1 7 1 1 1 1 2 PRO HB3 A 1 . HB2 1 1 7 1 1 1 1 2 PRO HG2 A 1 . HG1 1 1 7 1 2 1 1 2 PRO HD3 A 1 . HD2 1 1 8 1 1 1 1 2 PRO HB3 A 1 . HB2 1 1 8 1 1 1 1 2 PRO HG2 A 1 . HG1 1 1 8 1 2 1 1 35 TYR QD A 34 . HD1 1 1 9 1 1 1 1 2 PRO HB3 A 1 . HB2 1 1 9 1 1 1 1 2 PRO HG2 A 1 . HG1 1 1 9 1 2 1 1 35 TYR QE A 34 . HE1 1 1 10 1 1 1 1 2 PRO HD2 A 1 . HD1 1 1 10 1 2 1 1 2 PRO HG2 A 1 . HG1 1 1 11 1 1 1 1 2 PRO HD2 A 1 . HD1 1 1 11 1 2 1 1 35 TYR QE A 34 . HE1 1 1 12 1 1 1 1 2 PRO HD3 A 1 . HD2 1 1 12 1 2 1 1 2 PRO HG3 A 1 . HG2 1 1 13 2 1 1 1 2 PRO HD3 A 1 . HD2 1 1 13 2 2 1 1 35 TYR QD A 34 . HD1 1 1 13 3 1 1 1 6 PRO HA A 5 . HA 1 1 13 3 1 1 1 8 LYS HA A 7 . HA 1 1 13 3 2 1 1 21 TYR QD A 20 . HD1 1 1 14 1 1 1 1 2 PRO HG3 A 1 . HG2 1 1 14 1 2 1 1 35 TYR QE A 34 . HE1 1 1 15 1 1 1 1 3 PRO HA A 2 . HA 1 1 15 1 2 1 1 3 PRO HB3 A 2 . HB2 1 1 16 1 1 1 1 3 PRO HA A 2 . HA 1 1 16 1 2 1 1 4 THR H A 3 . HN 1 1 17 1 1 1 1 3 PRO HB2 A 2 . HB1 1 1 17 1 2 1 1 4 THR H A 3 . HN 1 1 18 1 1 1 1 3 PRO HB2 A 2 . HB1 1 1 18 1 2 1 1 28 TYR QD A 27 . HD1 1 1 19 1 1 1 1 3 PRO HB2 A 2 . HB1 1 1 19 1 2 1 1 28 TYR QE A 27 . HE1 1 1 20 1 1 1 1 3 PRO HB3 A 2 . HB2 1 1 20 1 2 1 1 4 THR H A 3 . HN 1 1 21 1 1 1 1 3 PRO HB3 A 2 . HB2 1 1 21 1 2 1 1 28 TYR QD A 27 . HD1 1 1 22 1 1 1 1 3 PRO HD2 A 2 . HD2 1 1 22 1 2 1 1 3 PRO HG2 A 2 . HG2 1 1 23 1 1 1 1 3 PRO HD2 A 2 . HD2 1 1 23 1 2 1 1 3 PRO HG3 A 2 . HG1 1 1 24 1 1 1 1 3 PRO HD2 A 2 . HD2 1 1 24 1 2 1 1 32 LEU QD A 31 . HD21 1 1 25 1 1 1 1 3 PRO HD3 A 2 . HD1 1 1 25 1 2 1 1 3 PRO HG2 A 2 . HG2 1 1 26 1 1 1 1 3 PRO HD3 A 2 . HD1 1 1 26 1 2 1 1 3 PRO HG3 A 2 . HG1 1 1 27 1 1 1 1 3 PRO HD3 A 2 . HD1 1 1 27 1 1 1 1 28 TYR HB3 A 27 . HB2 1 1 27 1 2 1 1 28 TYR QE A 27 . HE1 1 1 28 1 1 1 1 3 PRO HD3 A 2 . HD1 1 1 28 1 1 1 1 35 TYR QB A 34 . HB2 1 1 28 1 2 1 1 35 TYR QE A 34 . HE1 1 1 29 1 1 1 1 3 PRO HG2 A 2 . HG2 1 1 29 1 2 1 1 28 TYR QE A 27 . HE1 1 1 30 1 1 1 1 3 PRO HG2 A 2 . HG2 1 1 30 1 2 1 1 32 LEU QD A 31 . HD21 1 1 31 1 1 1 1 3 PRO HG3 A 2 . HG1 1 1 31 1 2 1 1 32 LEU HA A 31 . HA 1 1 32 1 1 1 1 4 THR H A 3 . HN 1 1 32 1 2 1 1 4 THR HA A 3 . HA 1 1 33 1 1 1 1 4 THR H A 3 . HN 1 1 33 1 2 1 1 4 THR HB A 3 . HB 1 1 34 1 1 1 1 4 THR H A 3 . HN 1 1 34 1 2 1 1 4 THR MG A 3 . HG21 1 1 35 1 1 1 1 4 THR HA A 3 . HA 1 1 35 1 2 1 1 4 THR HB A 3 . HB 1 1 36 1 1 1 1 4 THR HA A 3 . HA 1 1 36 1 2 1 1 4 THR MG A 3 . HG21 1 1 37 1 1 1 1 4 THR HA A 3 . HA 1 1 37 1 2 1 1 5 LYS H A 4 . HN 1 1 38 1 1 1 1 4 THR HA A 3 . HA 1 1 38 1 2 1 1 28 TYR QE A 27 . HE1 1 1 39 1 1 1 1 4 THR HB A 3 . HB 1 1 39 1 2 1 1 4 THR MG A 3 . HG21 1 1 40 1 1 1 1 4 THR HB A 3 . HB 1 1 40 1 1 1 1 25 LEU HA A 24 . HA 1 1 40 1 2 1 1 28 TYR QD A 27 . HD1 1 1 41 1 1 1 1 4 THR MG A 3 . HG21 1 1 41 1 2 1 1 5 LYS H A 4 . HN 1 1 42 1 1 1 1 5 LYS H A 4 . HN 1 1 42 1 2 1 1 5 LYS HA A 4 . HA 1 1 43 1 1 1 1 5 LYS H A 4 . HN 1 1 43 1 2 1 1 5 LYS HB2 A 4 . HB1 1 1 44 1 1 1 1 5 LYS H A 4 . HN 1 1 44 1 2 1 1 5 LYS HB3 A 4 . HB2 1 1 45 1 1 1 1 5 LYS H A 4 . HN 1 1 45 1 2 1 1 5 LYS HD2 A 4 . HD1 1 1 46 1 1 1 1 5 LYS H A 4 . HN 1 1 46 1 2 1 1 5 LYS HG2 A 4 . HG1 1 1 47 1 1 1 1 5 LYS H A 4 . HN 1 1 47 1 2 1 1 28 TYR QE A 27 . HE1 1 1 48 1 1 1 1 5 LYS HA A 4 . HA 1 1 48 1 2 1 1 5 LYS HD2 A 4 . HD1 1 1 49 1 1 1 1 5 LYS HA A 4 . HA 1 1 49 1 2 1 1 5 LYS HG2 A 4 . HG1 1 1 50 1 1 1 1 5 LYS HA A 4 . HA 1 1 50 1 2 1 1 5 LYS HG3 A 4 . HG2 1 1 51 1 1 1 1 5 LYS HA A 4 . HA 1 1 51 1 2 1 1 28 TYR QD A 27 . HD1 1 1 52 1 1 1 1 5 LYS HA A 4 . HA 1 1 52 1 2 1 1 28 TYR QE A 27 . HE1 1 1 53 1 1 1 1 5 LYS HB3 A 4 . HB2 1 1 53 1 2 1 1 5 LYS HG2 A 4 . HG1 1 1 54 1 1 1 1 5 LYS HD2 A 4 . HD1 1 1 54 1 2 1 1 5 LYS HG2 A 4 . HG1 1 1 55 1 1 1 1 5 LYS HD2 A 4 . HD1 1 1 55 1 2 1 1 28 TYR QE A 27 . HE1 1 1 56 1 1 1 1 6 PRO HA A 5 . HA 1 1 56 1 2 1 1 6 PRO HB2 A 5 . HB1 1 1 57 1 1 1 1 6 PRO HA A 5 . HA 1 1 57 1 2 1 1 6 PRO HB3 A 5 . HB2 1 1 58 1 1 1 1 6 PRO HA A 5 . HA 1 1 58 1 2 1 1 7 THR H A 6 . HN 1 1 59 1 1 1 1 6 PRO HB2 A 5 . HB1 1 1 59 1 2 1 1 7 THR H A 6 . HN 1 1 60 1 1 1 1 6 PRO HB3 A 5 . HB2 1 1 60 1 2 1 1 7 THR H A 6 . HN 1 1 61 1 1 1 1 6 PRO HB3 A 5 . HB2 1 1 61 1 2 1 1 21 TYR QD A 20 . HD1 1 1 62 1 1 1 1 6 PRO HD2 A 5 . HD1 1 1 62 1 2 1 1 6 PRO HG3 A 5 . HG2 1 1 63 2 1 1 1 6 PRO HD3 A 5 . HD2 1 1 63 2 2 1 1 6 PRO HG2 A 5 . HG1 1 1 63 3 1 1 1 8 LYS HA A 7 . HA 1 1 63 3 2 1 1 8 LYS HB2 A 7 . HB1 1 1 64 1 1 1 1 6 PRO HD3 A 5 . HD2 1 1 64 1 2 1 1 28 TYR QD A 27 . HD1 1 1 65 1 1 1 1 6 PRO HG3 A 5 . HG2 1 1 65 1 2 1 1 21 TYR QD A 20 . HD1 1 1 66 1 1 1 1 7 THR H A 6 . HN 1 1 66 1 2 1 1 7 THR HA A 6 . HA 1 1 67 1 1 1 1 7 THR H A 6 . HN 1 1 67 1 2 1 1 7 THR HB A 6 . HB 1 1 68 1 1 1 1 7 THR H A 6 . HN 1 1 68 1 2 1 1 7 THR MG A 6 . HG21 1 1 69 1 1 1 1 7 THR HA A 6 . HA 1 1 69 1 2 1 1 7 THR HB A 6 . HB 1 1 70 1 1 1 1 7 THR HA A 6 . HA 1 1 70 1 2 1 1 7 THR MG A 6 . HG21 1 1 71 1 1 1 1 7 THR HA A 6 . HA 1 1 71 1 2 1 1 8 LYS H A 7 . HN 1 1 72 1 1 1 1 7 THR HB A 6 . HB 1 1 72 1 2 1 1 7 THR MG A 6 . HG21 1 1 73 1 1 1 1 7 THR HB A 6 . HB 1 1 73 1 2 1 1 8 LYS H A 7 . HN 1 1 74 1 1 1 1 7 THR MG A 6 . HG21 1 1 74 1 2 1 1 8 LYS H A 7 . HN 1 1 75 1 1 1 1 8 LYS H A 7 . HN 1 1 75 1 2 1 1 8 LYS HA A 7 . HA 1 1 76 1 1 1 1 8 LYS H A 7 . HN 1 1 76 1 2 1 1 8 LYS HB2 A 7 . HB1 1 1 77 1 1 1 1 8 LYS H A 7 . HN 1 1 77 1 2 1 1 8 LYS HB3 A 7 . HB2 1 1 78 1 1 1 1 8 LYS H A 7 . HN 1 1 78 1 2 1 1 8 LYS HG2 A 7 . HG1 1 1 79 1 1 1 1 8 LYS H A 7 . HN 1 1 79 1 2 1 1 8 LYS HG3 A 7 . HG2 1 1 80 1 1 1 1 8 LYS HA A 7 . HA 1 1 80 1 2 1 1 8 LYS HB2 A 7 . HB1 1 1 81 1 1 1 1 8 LYS HA A 7 . HA 1 1 81 1 2 1 1 8 LYS HB2 A 7 . HB1 1 1 81 1 2 1 1 8 LYS HD3 A 7 . HD2 1 1 82 1 1 1 1 8 LYS HA A 7 . HA 1 1 82 1 2 1 1 8 LYS HB3 A 7 . HB2 1 1 83 1 1 1 1 8 LYS HA A 7 . HA 1 1 83 1 2 1 1 8 LYS HG2 A 7 . HG1 1 1 84 1 1 1 1 8 LYS HA A 7 . HA 1 1 84 1 2 1 1 8 LYS HG3 A 7 . HG2 1 1 85 1 1 1 1 8 LYS HA A 7 . HA 1 1 85 1 2 1 1 9 PRO HD3 A 8 . HD2 1 1 86 1 1 1 1 8 LYS QD A 7 . HD1 1 1 86 1 2 1 1 8 LYS HE3 A 7 . HE2 1 1 87 1 1 1 1 8 LYS HE2 A 7 . HE1 1 1 87 1 2 1 1 8 LYS HG2 A 7 . HG1 1 1 88 1 1 1 1 8 LYS HE2 A 7 . HE1 1 1 88 1 2 1 1 8 LYS HG3 A 7 . HG2 1 1 89 1 1 1 1 8 LYS HE3 A 7 . HE2 1 1 89 1 2 1 1 8 LYS HG2 A 7 . HG1 1 1 90 1 1 1 1 8 LYS HE3 A 7 . HE2 1 1 90 1 2 1 1 8 LYS HG3 A 7 . HG2 1 1 91 1 1 1 1 9 PRO HA A 8 . HA 1 1 91 1 2 1 1 10 GLY H A 9 . HN 1 1 92 1 1 1 1 9 PRO QB A 8 . HB1 1 1 92 1 2 1 1 9 PRO HD3 A 8 . HD2 1 1 93 1 1 1 1 9 PRO QB A 8 . HB1 1 1 93 1 2 1 1 10 GLY H A 9 . HN 1 1 94 1 1 1 1 9 PRO QB A 8 . HB1 1 1 94 1 2 1 1 12 ASN QD A 11 . HD21 1 1 95 1 1 1 1 9 PRO QB A 8 . HB1 1 1 95 1 2 1 1 13 ALA MB A 12 . HB1 1 1 96 1 1 1 1 9 PRO HD3 A 8 . HD2 1 1 96 1 2 1 1 9 PRO HG3 A 8 . HG2 1 1 97 1 1 1 1 10 GLY H A 9 . HN 1 1 97 1 2 1 1 10 GLY HA2 A 9 . HA1 1 1 98 1 1 1 1 10 GLY H A 9 . HN 1 1 98 1 2 1 1 10 GLY HA3 A 9 . HA2 1 1 99 1 1 1 1 10 GLY H A 9 . HN 1 1 99 1 2 1 1 13 ALA MB A 12 . HB1 1 1 100 1 1 1 1 10 GLY HA2 A 9 . HA1 1 1 100 1 2 1 1 11 ASP H A 10 . HN 1 1 101 1 1 1 1 10 GLY HA3 A 9 . HA2 1 1 101 1 2 1 1 11 ASP H A 10 . HN 1 1 102 1 1 1 1 11 ASP H A 10 . HN 1 1 102 1 2 1 1 11 ASP HA A 10 . HA 1 1 103 1 1 1 1 11 ASP H A 10 . HN 1 1 103 1 2 1 1 11 ASP HB2 A 10 . HB1 1 1 104 1 1 1 1 11 ASP H A 10 . HN 1 1 104 1 2 1 1 11 ASP HB3 A 10 . HB2 1 1 105 1 1 1 1 11 ASP HA A 10 . HA 1 1 105 1 2 1 1 11 ASP HB3 A 10 . HB2 1 1 106 1 1 1 1 11 ASP HA A 10 . HA 1 1 106 1 2 1 1 12 ASN H A 11 . HN 1 1 107 1 1 1 1 12 ASN H A 11 . HN 1 1 107 1 2 1 1 12 ASN HA A 11 . HA 1 1 108 1 1 1 1 12 ASN H A 11 . HN 1 1 108 1 2 1 1 12 ASN HB2 A 11 . HB1 1 1 109 1 1 1 1 12 ASN H A 11 . HN 1 1 109 1 2 1 1 12 ASN QB A 11 . HB1 1 1 110 1 1 1 1 12 ASN H A 11 . HN 1 1 110 1 2 1 1 13 ALA H A 12 . HN 1 1 111 1 1 1 1 12 ASN HA A 11 . HA 1 1 111 1 2 1 1 12 ASN QB A 11 . HB1 1 1 112 1 1 1 1 12 ASN HA A 11 . HA 1 1 112 1 2 1 1 13 ALA H A 12 . HN 1 1 113 1 1 1 1 12 ASN QB A 11 . HB1 1 1 113 1 2 1 1 12 ASN QD A 11 . HD22 1 1 114 1 1 1 1 12 ASN QB A 11 . HB1 1 1 114 1 2 1 1 13 ALA H A 12 . HN 1 1 115 1 1 1 1 12 ASN QD A 11 . HD22 1 1 115 1 1 1 1 14 THR H A 13 . HN 1 1 115 1 2 1 1 13 ALA H A 12 . HN 1 1 116 1 1 1 1 13 ALA H A 12 . HN 1 1 116 1 2 1 1 13 ALA HA A 12 . HA 1 1 117 1 1 1 1 13 ALA H A 12 . HN 1 1 117 1 2 1 1 13 ALA MB A 12 . HB1 1 1 118 1 1 1 1 13 ALA HA A 12 . HA 1 1 118 1 2 1 1 13 ALA MB A 12 . HB1 1 1 119 1 1 1 1 13 ALA HA A 12 . HA 1 1 119 1 2 1 1 14 THR H A 13 . HN 1 1 120 1 1 1 1 13 ALA HA A 12 . HA 1 1 120 1 2 1 1 14 THR MG A 13 . HG21 1 1 121 1 1 1 1 13 ALA MB A 12 . HB1 1 1 121 1 2 1 1 14 THR H A 13 . HN 1 1 122 1 1 1 1 13 ALA MB A 12 . HB1 1 1 122 1 2 1 1 17 LYS HB3 A 16 . HB2 1 1 123 2 1 1 1 13 ALA MB A 12 . HB1 1 1 123 2 2 1 1 18 LEU H A 17 . HN 1 1 123 3 1 1 1 29 GLN H A 28 . HN 1 1 123 3 2 1 1 32 LEU HB3 A 31 . HB1 1 1 124 1 1 1 1 14 THR H A 13 . HN 1 1 124 1 2 1 1 14 THR HA A 13 . HA 1 1 125 1 1 1 1 14 THR H A 13 . HN 1 1 125 1 2 1 1 14 THR MG A 13 . HG21 1 1 126 1 1 1 1 14 THR H A 13 . HN 1 1 126 1 2 1 1 17 LYS HB2 A 16 . HB1 1 1 127 1 1 1 1 14 THR H A 13 . HN 1 1 127 1 2 1 1 17 LYS HB3 A 16 . HB2 1 1 128 1 1 1 1 14 THR HA A 13 . HA 1 1 128 1 2 1 1 14 THR HB A 13 . HB 1 1 129 1 1 1 1 14 THR HA A 13 . HA 1 1 129 1 2 1 1 14 THR MG A 13 . HG21 1 1 130 2 1 1 1 14 THR HA A 13 . HA 1 1 130 2 2 1 1 15 PRO HB3 A 14 . HB1 1 1 130 2 2 1 1 16 GLU HB2 A 15 . HB1 1 1 130 3 1 1 1 20 LYS HB2 A 19 . HB1 1 1 130 3 2 1 1 21 TYR HA A 20 . HA 1 1 131 1 1 1 1 14 THR HA A 13 . HA 1 1 131 1 2 1 1 15 PRO HD2 A 14 . HD2 1 1 132 1 1 1 1 14 THR HA A 13 . HA 1 1 132 1 2 1 1 15 PRO HD3 A 14 . HD1 1 1 133 1 1 1 1 14 THR HA A 13 . HA 1 1 133 1 2 1 1 15 PRO HG2 A 14 . HG1 1 1 133 1 2 1 1 17 LYS HB3 A 16 . HB2 1 1 134 1 1 1 1 14 THR HA A 13 . HA 1 1 134 1 2 1 1 15 PRO HG3 A 14 . HG2 1 1 135 1 1 1 1 14 THR HA A 13 . HA 1 1 135 1 2 1 1 16 GLU H A 15 . HN 1 1 136 1 1 1 1 14 THR HB A 13 . HB 1 1 136 1 2 1 1 14 THR MG A 13 . HG21 1 1 137 1 1 1 1 14 THR HB A 13 . HB 1 1 137 1 2 1 1 15 PRO HD2 A 14 . HD2 1 1 138 1 1 1 1 14 THR HB A 13 . HB 1 1 138 1 2 1 1 15 PRO HD3 A 14 . HD1 1 1 139 1 1 1 1 14 THR HB A 13 . HB 1 1 139 1 2 1 1 16 GLU H A 15 . HN 1 1 140 1 1 1 1 14 THR MG A 13 . HG21 1 1 140 1 2 1 1 15 PRO HD2 A 14 . HD2 1 1 141 1 1 1 1 14 THR MG A 13 . HG21 1 1 141 1 2 1 1 15 PRO HD3 A 14 . HD1 1 1 142 1 1 1 1 15 PRO HA A 14 . HA 1 1 142 1 2 1 1 15 PRO HB3 A 14 . HB1 1 1 143 1 1 1 1 15 PRO HA A 14 . HA 1 1 143 1 2 1 1 15 PRO HG2 A 14 . HG1 1 1 144 1 1 1 1 15 PRO HA A 14 . HA 1 1 144 1 2 1 1 15 PRO HG3 A 14 . HG2 1 1 145 2 1 1 1 15 PRO HA A 14 . HA 1 1 145 2 2 1 1 18 LEU H A 17 . HN 1 1 145 3 1 1 1 19 ALA H A 18 . HN 1 1 145 3 2 1 1 19 ALA HA A 18 . HA 1 1 146 1 1 1 1 15 PRO HA A 14 . HA 1 1 146 1 2 1 1 18 LEU HB2 A 17 . HB1 1 1 147 1 1 1 1 15 PRO HA A 14 . HA 1 1 147 1 2 1 1 18 LEU HB3 A 17 . HB2 1 1 148 1 1 1 1 15 PRO HA A 14 . HA 1 1 148 1 2 1 1 18 LEU MD1 A 17 . HD21 1 1 149 1 1 1 1 15 PRO HB2 A 14 . HB2 1 1 149 1 2 1 1 15 PRO HD2 A 14 . HD2 1 1 150 1 1 1 1 15 PRO HB2 A 14 . HB2 1 1 150 1 2 1 1 15 PRO HD3 A 14 . HD1 1 1 151 1 1 1 1 15 PRO HB2 A 14 . HB2 1 1 151 1 2 1 1 16 GLU H A 15 . HN 1 1 152 1 1 1 1 15 PRO HB2 A 14 . HB2 1 1 152 1 2 1 1 16 GLU HA A 15 . HA 1 1 153 1 1 1 1 15 PRO HB3 A 14 . HB1 1 1 153 1 2 1 1 15 PRO HD2 A 14 . HD2 1 1 154 1 1 1 1 15 PRO HB3 A 14 . HB1 1 1 154 1 1 1 1 16 GLU HB2 A 15 . HB1 1 1 154 1 2 1 1 15 PRO HD2 A 14 . HD2 1 1 155 1 1 1 1 15 PRO HB3 A 14 . HB1 1 1 155 1 2 1 1 15 PRO HD3 A 14 . HD1 1 1 156 1 1 1 1 15 PRO HB3 A 14 . HB1 1 1 156 1 2 1 1 15 PRO HG3 A 14 . HG2 1 1 157 1 1 1 1 15 PRO HD2 A 14 . HD2 1 1 157 1 2 1 1 15 PRO HG2 A 14 . HG1 1 1 158 1 1 1 1 15 PRO HD2 A 14 . HD2 1 1 158 1 2 1 1 16 GLU H A 15 . HN 1 1 159 1 1 1 1 15 PRO HD3 A 14 . HD1 1 1 159 1 2 1 1 15 PRO HG3 A 14 . HG2 1 1 160 1 1 1 1 15 PRO HD3 A 14 . HD1 1 1 160 1 2 1 1 16 GLU H A 15 . HN 1 1 161 1 1 1 1 16 GLU H A 15 . HN 1 1 161 1 2 1 1 16 GLU HA A 15 . HA 1 1 162 1 1 1 1 16 GLU H A 15 . HN 1 1 162 1 2 1 1 16 GLU HB2 A 15 . HB1 1 1 163 1 1 1 1 16 GLU H A 15 . HN 1 1 163 1 2 1 1 16 GLU HB3 A 15 . HB2 1 1 164 1 1 1 1 16 GLU H A 15 . HN 1 1 164 1 2 1 1 16 GLU HG3 A 15 . HG2 1 1 165 1 1 1 1 16 GLU H A 15 . HN 1 1 165 1 2 1 1 17 LYS H A 16 . HN 1 1 166 2 1 1 1 16 GLU HA A 15 . HA 1 1 166 2 2 1 1 16 GLU HB2 A 15 . HB1 1 1 166 3 1 1 1 17 LYS HA A 16 . HA 1 1 166 3 2 1 1 20 LYS HB2 A 19 . HB1 1 1 167 1 1 1 1 16 GLU HA A 15 . HA 1 1 167 1 2 1 1 16 GLU HB3 A 15 . HB2 1 1 168 1 1 1 1 16 GLU HA A 15 . HA 1 1 168 1 2 1 1 16 GLU HG2 A 15 . HG1 1 1 169 1 1 1 1 16 GLU HA A 15 . HA 1 1 169 1 2 1 1 16 GLU HG3 A 15 . HG2 1 1 170 1 1 1 1 16 GLU HA A 15 . HA 1 1 170 1 1 1 1 17 LYS HA A 16 . HA 1 1 170 1 2 1 1 17 LYS H A 16 . HN 1 1 171 2 1 1 1 16 GLU HA A 15 . HA 1 1 171 2 1 1 1 17 LYS HA A 16 . HA 1 1 171 2 2 1 1 19 ALA MB A 18 . HB1 1 1 171 3 1 1 1 17 LYS HA A 16 . HA 1 1 171 3 2 1 1 20 LYS QG A 19 . HG1 1 1 172 1 1 1 1 16 GLU HB2 A 15 . HB1 1 1 172 1 2 1 1 16 GLU HG3 A 15 . HG2 1 1 173 1 1 1 1 16 GLU HB3 A 15 . HB2 1 1 173 1 2 1 1 17 LYS H A 16 . HN 1 1 174 1 1 1 1 17 LYS H A 16 . HN 1 1 174 1 2 1 1 17 LYS HB2 A 16 . HB1 1 1 175 1 1 1 1 17 LYS H A 16 . HN 1 1 175 1 2 1 1 17 LYS HB3 A 16 . HB2 1 1 176 1 1 1 1 17 LYS H A 16 . HN 1 1 176 1 2 1 1 18 LEU H A 17 . HN 1 1 177 1 1 1 1 17 LYS HA A 16 . HA 1 1 177 1 2 1 1 17 LYS HB2 A 16 . HB1 1 1 178 2 1 1 1 17 LYS HA A 16 . HA 1 1 178 2 1 1 1 18 LEU HA A 17 . HA 1 1 178 2 2 1 1 18 LEU H A 17 . HN 1 1 178 3 1 1 1 18 LEU HA A 17 . HA 1 1 178 3 2 1 1 19 ALA H A 18 . HN 1 1 179 1 1 1 1 17 LYS HA A 16 . HA 1 1 179 1 2 1 1 20 LYS H A 19 . HN 1 1 180 1 1 1 1 17 LYS HA A 16 . HA 1 1 180 1 2 1 1 20 LYS HB3 A 19 . HB2 1 1 181 2 1 1 1 17 LYS HA A 16 . HA 1 1 181 2 2 1 1 20 LYS HB3 A 19 . HB2 1 1 181 3 1 1 1 26 ALA HA A 25 . HA 1 1 181 3 2 1 1 29 GLN HB2 A 28 . HB2 1 1 182 1 1 1 1 17 LYS HB2 A 16 . HB1 1 1 182 1 2 1 1 18 LEU H A 17 . HN 1 1 183 1 1 1 1 18 LEU H A 17 . HN 1 1 183 1 2 1 1 18 LEU HA A 17 . HA 1 1 184 1 1 1 1 18 LEU H A 17 . HN 1 1 184 1 1 1 1 19 ALA H A 18 . HN 1 1 184 1 2 1 1 18 LEU HA A 17 . HA 1 1 185 1 1 1 1 18 LEU H A 17 . HN 1 1 185 1 1 1 1 19 ALA H A 18 . HN 1 1 185 1 2 1 1 18 LEU HB2 A 17 . HB1 1 1 186 1 1 1 1 18 LEU H A 17 . HN 1 1 186 1 2 1 1 18 LEU HB3 A 17 . HB2 1 1 187 1 1 1 1 18 LEU H A 17 . HN 1 1 187 1 2 1 1 18 LEU MD1 A 17 . HD21 1 1 188 1 1 1 1 18 LEU H A 17 . HN 1 1 188 1 1 1 1 19 ALA H A 18 . HN 1 1 188 1 2 1 1 18 LEU MD1 A 17 . HD21 1 1 189 1 1 1 1 18 LEU H A 17 . HN 1 1 189 1 2 1 1 18 LEU MD2 A 17 . HD11 1 1 190 1 1 1 1 18 LEU H A 17 . HN 1 1 190 1 1 1 1 19 ALA H A 18 . HN 1 1 190 1 2 1 1 18 LEU MD2 A 17 . HD11 1 1 191 1 1 1 1 18 LEU HA A 17 . HA 1 1 191 1 2 1 1 18 LEU HB3 A 17 . HB2 1 1 192 1 1 1 1 18 LEU HA A 17 . HA 1 1 192 1 2 1 1 18 LEU MD1 A 17 . HD21 1 1 193 1 1 1 1 18 LEU HA A 17 . HA 1 1 193 1 2 1 1 18 LEU MD2 A 17 . HD11 1 1 194 2 1 1 1 18 LEU HA A 17 . HA 1 1 194 2 2 1 1 21 TYR H A 20 . HN 1 1 194 3 1 1 1 35 TYR H A 34 . HN 1 1 194 3 2 1 1 35 TYR HA A 34 . HA 1 1 195 1 1 1 1 18 LEU HA A 17 . HA 1 1 195 1 2 1 1 21 TYR HB3 A 20 . HB2 1 1 196 1 1 1 1 18 LEU HB2 A 17 . HB1 1 1 196 1 2 1 1 18 LEU MD1 A 17 . HD21 1 1 197 1 1 1 1 18 LEU HB2 A 17 . HB1 1 1 197 1 2 1 1 18 LEU MD2 A 17 . HD11 1 1 198 1 1 1 1 18 LEU HB3 A 17 . HB2 1 1 198 1 2 1 1 18 LEU MD1 A 17 . HD21 1 1 199 1 1 1 1 18 LEU HB3 A 17 . HB2 1 1 199 1 2 1 1 18 LEU MD2 A 17 . HD11 1 1 200 1 1 1 1 18 LEU MD1 A 17 . HD21 1 1 200 1 2 1 1 22 GLN HE21 A 21 . HE22 1 1 201 1 1 1 1 19 ALA H A 18 . HN 1 1 201 1 2 1 1 19 ALA HA A 18 . HA 1 1 202 1 1 1 1 19 ALA H A 18 . HN 1 1 202 1 2 1 1 19 ALA MB A 18 . HB1 1 1 203 1 1 1 1 19 ALA H A 18 . HN 1 1 203 1 2 1 1 20 LYS H A 19 . HN 1 1 204 1 1 1 1 19 ALA HA A 18 . HA 1 1 204 1 2 1 1 19 ALA MB A 18 . HB1 1 1 205 1 1 1 1 19 ALA HA A 18 . HA 1 1 205 1 2 1 1 20 LYS H A 19 . HN 1 1 206 1 1 1 1 19 ALA HA A 18 . HA 1 1 206 1 2 1 1 22 GLN H A 21 . HN 1 1 207 1 1 1 1 19 ALA HA A 18 . HA 1 1 207 1 2 1 1 22 GLN HB2 A 21 . HB2 1 1 208 1 1 1 1 19 ALA HA A 18 . HA 1 1 208 1 1 1 1 23 ALA HA A 22 . HA 1 1 208 1 2 1 1 22 GLN HB3 A 21 . HB1 1 1 209 1 1 1 1 19 ALA HA A 18 . HA 1 1 209 1 2 1 1 22 GLN QG A 21 . HG1 1 1 210 1 1 1 1 19 ALA MB A 18 . HB1 1 1 210 1 2 1 1 20 LYS H A 19 . HN 1 1 211 2 1 1 1 19 ALA MB A 18 . HB1 1 1 211 2 2 1 1 21 TYR H A 20 . HN 1 1 211 2 2 1 1 23 ALA H A 22 . HN 1 1 211 3 1 1 1 20 LYS QG A 19 . HG1 1 1 211 3 2 1 1 21 TYR H A 20 . HN 1 1 211 4 1 1 1 33 ALA MB A 32 . HB1 1 1 211 4 2 1 1 35 TYR H A 34 . HN 1 1 212 1 1 1 1 20 LYS H A 19 . HN 1 1 212 1 2 1 1 20 LYS HA A 19 . HA 1 1 213 1 1 1 1 20 LYS H A 19 . HN 1 1 213 1 2 1 1 20 LYS HB2 A 19 . HB1 1 1 214 1 1 1 1 20 LYS H A 19 . HN 1 1 214 1 2 1 1 20 LYS HB3 A 19 . HB2 1 1 215 1 1 1 1 20 LYS H A 19 . HN 1 1 215 1 2 1 1 21 TYR H A 20 . HN 1 1 216 1 1 1 1 20 LYS HA A 19 . HA 1 1 216 1 2 1 1 20 LYS HB2 A 19 . HB1 1 1 217 2 1 1 1 20 LYS HA A 19 . HA 1 1 217 2 2 1 1 20 LYS HB3 A 19 . HB2 1 1 217 3 1 1 1 26 ALA HA A 25 . HA 1 1 217 3 2 1 1 29 GLN HB2 A 28 . HB2 1 1 218 2 1 1 1 20 LYS HA A 19 . HA 1 1 218 2 2 1 1 20 LYS HG3 A 19 . HG2 1 1 218 3 1 1 1 26 ALA HA A 25 . HA 1 1 218 3 2 1 1 26 ALA MB A 25 . HB1 1 1 219 1 1 1 1 20 LYS HA A 19 . HA 1 1 219 1 2 1 1 21 TYR H A 20 . HN 1 1 219 1 2 1 1 23 ALA H A 22 . HN 1 1 220 1 1 1 1 20 LYS HA A 19 . HA 1 1 220 1 2 1 1 23 ALA MB A 22 . HB1 1 1 221 1 1 1 1 20 LYS HB3 A 19 . HB2 1 1 221 1 2 1 1 21 TYR H A 20 . HN 1 1 222 1 1 1 1 21 TYR H A 20 . HN 1 1 222 1 2 1 1 21 TYR HA A 20 . HA 1 1 223 1 1 1 1 21 TYR H A 20 . HN 1 1 223 1 2 1 1 21 TYR HB2 A 20 . HB1 1 1 224 2 1 1 1 21 TYR H A 20 . HN 1 1 224 2 2 1 1 21 TYR HB2 A 20 . HB1 1 1 224 3 1 1 1 35 TYR H A 34 . HN 1 1 224 3 2 1 1 35 TYR QB A 34 . HB2 1 1 225 1 1 1 1 21 TYR H A 20 . HN 1 1 225 1 2 1 1 21 TYR HB3 A 20 . HB2 1 1 226 2 1 1 1 21 TYR H A 20 . HN 1 1 226 2 2 1 1 21 TYR QD A 20 . HD1 1 1 226 3 1 1 1 35 TYR H A 34 . HN 1 1 226 3 2 1 1 35 TYR QD A 34 . HD1 1 1 227 1 1 1 1 21 TYR H A 20 . HN 1 1 227 1 1 1 1 23 ALA H A 22 . HN 1 1 227 1 2 1 1 22 GLN H A 21 . HN 1 1 228 2 1 1 1 21 TYR H A 20 . HN 1 1 228 2 1 1 1 23 ALA H A 22 . HN 1 1 228 2 2 1 1 22 GLN HG3 A 21 . HG2 1 1 228 3 1 1 1 22 GLN HG2 A 21 . HG1 1 1 228 3 2 1 1 23 ALA H A 22 . HN 1 1 229 1 1 1 1 21 TYR HA A 20 . HA 1 1 229 1 2 1 1 21 TYR HB2 A 20 . HB1 1 1 230 1 1 1 1 21 TYR HA A 20 . HA 1 1 230 1 2 1 1 21 TYR QD A 20 . HD1 1 1 231 1 1 1 1 21 TYR HA A 20 . HA 1 1 231 1 2 1 1 24 ASP H A 23 . HN 1 1 232 1 1 1 1 21 TYR HA A 20 . HA 1 1 232 1 2 1 1 24 ASP HB3 A 23 . HB2 1 1 233 2 1 1 1 21 TYR HB2 A 20 . HB1 1 1 233 2 2 1 1 21 TYR QD A 20 . HD1 1 1 233 3 1 1 1 35 TYR QB A 34 . HB2 1 1 233 3 2 1 1 35 TYR QD A 34 . HD1 1 1 234 1 1 1 1 21 TYR HB2 A 20 . HB1 1 1 234 1 2 1 1 22 GLN H A 21 . HN 1 1 235 1 1 1 1 21 TYR HB3 A 20 . HB2 1 1 235 1 2 1 1 21 TYR QD A 20 . HD1 1 1 236 1 1 1 1 21 TYR HB3 A 20 . HB2 1 1 236 1 2 1 1 22 GLN H A 21 . HN 1 1 237 1 1 1 1 21 TYR QD A 20 . HD1 1 1 237 1 2 1 1 22 GLN H A 21 . HN 1 1 238 1 1 1 1 21 TYR QD A 20 . HD1 1 1 238 1 2 1 1 22 GLN HG3 A 21 . HG2 1 1 239 1 1 1 1 21 TYR QD A 20 . HD1 1 1 239 1 2 1 1 25 LEU QD A 24 . HD21 1 1 240 1 1 1 1 22 GLN H A 21 . HN 1 1 240 1 2 1 1 22 GLN HA A 21 . HA 1 1 241 1 1 1 1 22 GLN H A 21 . HN 1 1 241 1 2 1 1 22 GLN HB2 A 21 . HB2 1 1 242 1 1 1 1 22 GLN H A 21 . HN 1 1 242 1 2 1 1 22 GLN HB3 A 21 . HB1 1 1 243 1 1 1 1 22 GLN H A 21 . HN 1 1 243 1 2 1 1 22 GLN HG3 A 21 . HG2 1 1 244 1 1 1 1 22 GLN HA A 21 . HA 1 1 244 1 2 1 1 22 GLN HB2 A 21 . HB2 1 1 245 1 1 1 1 22 GLN HA A 21 . HA 1 1 245 1 2 1 1 22 GLN HB3 A 21 . HB1 1 1 246 1 1 1 1 22 GLN HA A 21 . HA 1 1 246 1 2 1 1 22 GLN QG A 21 . HG1 1 1 247 1 1 1 1 22 GLN HA A 21 . HA 1 1 247 1 2 1 1 23 ALA H A 22 . HN 1 1 248 1 1 1 1 22 GLN HA A 21 . HA 1 1 248 1 2 1 1 25 LEU H A 24 . HN 1 1 249 1 1 1 1 22 GLN HA A 21 . HA 1 1 249 1 2 1 1 25 LEU HB3 A 24 . HB1 1 1 250 1 1 1 1 22 GLN HA A 21 . HA 1 1 250 1 2 1 1 25 LEU QD A 24 . HD11 1 1 251 1 1 1 1 22 GLN HA A 21 . HA 1 1 251 1 2 1 1 26 ALA H A 25 . HN 1 1 252 1 1 1 1 22 GLN HB2 A 21 . HB2 1 1 252 1 2 1 1 22 GLN QG A 21 . HG1 1 1 253 1 1 1 1 22 GLN HB2 A 21 . HB2 1 1 253 1 2 1 1 23 ALA H A 22 . HN 1 1 254 1 1 1 1 22 GLN HB3 A 21 . HB1 1 1 254 1 2 1 1 22 GLN QG A 21 . HG1 1 1 255 1 1 1 1 22 GLN HB3 A 21 . HB1 1 1 255 1 2 1 1 23 ALA H A 22 . HN 1 1 256 1 1 1 1 22 GLN HE21 A 21 . HE22 1 1 256 1 2 1 1 22 GLN QG A 21 . HG1 1 1 257 1 1 1 1 23 ALA H A 22 . HN 1 1 257 1 2 1 1 23 ALA HA A 22 . HA 1 1 258 1 1 1 1 23 ALA H A 22 . HN 1 1 258 1 2 1 1 23 ALA MB A 22 . HB1 1 1 259 1 1 1 1 23 ALA H A 22 . HN 1 1 259 1 2 1 1 24 ASP H A 23 . HN 1 1 260 1 1 1 1 23 ALA HA A 22 . HA 1 1 260 1 2 1 1 23 ALA MB A 22 . HB1 1 1 261 1 1 1 1 23 ALA HA A 22 . HA 1 1 261 1 2 1 1 24 ASP H A 23 . HN 1 1 262 1 1 1 1 23 ALA HA A 22 . HA 1 1 262 1 2 1 1 26 ALA H A 25 . HN 1 1 263 1 1 1 1 23 ALA MB A 22 . HB1 1 1 263 1 2 1 1 24 ASP H A 23 . HN 1 1 264 1 1 1 1 24 ASP H A 23 . HN 1 1 264 1 2 1 1 24 ASP HA A 23 . HA 1 1 265 1 1 1 1 24 ASP H A 23 . HN 1 1 265 1 2 1 1 24 ASP HB2 A 23 . HB1 1 1 266 1 1 1 1 24 ASP H A 23 . HN 1 1 266 1 2 1 1 24 ASP HB3 A 23 . HB2 1 1 267 2 1 1 1 24 ASP HA A 23 . HA 1 1 267 2 2 1 1 26 ALA MB A 25 . HB1 1 1 267 2 2 1 1 27 LYS HG2 A 26 . HG1 1 1 267 3 1 1 1 27 LYS HG2 A 26 . HG1 1 1 267 3 2 1 1 28 TYR HA A 27 . HA 1 1 267 4 1 1 1 33 ALA MB A 32 . HB1 1 1 267 4 2 1 1 34 ASP HA A 33 . HA 1 1 268 1 1 1 1 24 ASP HA A 23 . HA 1 1 268 1 2 1 1 27 LYS H A 26 . HN 1 1 269 1 1 1 1 24 ASP HA A 23 . HA 1 1 269 1 1 1 1 28 TYR HA A 27 . HA 1 1 269 1 2 1 1 27 LYS HB2 A 26 . HB1 1 1 270 1 1 1 1 24 ASP HA A 23 . HA 1 1 270 1 2 1 1 27 LYS HB3 A 26 . HB2 1 1 271 1 1 1 1 25 LEU H A 24 . HN 1 1 271 1 2 1 1 25 LEU HA A 24 . HA 1 1 272 1 1 1 1 25 LEU H A 24 . HN 1 1 272 1 2 1 1 25 LEU HB3 A 24 . HB1 1 1 273 1 1 1 1 25 LEU H A 24 . HN 1 1 273 1 2 1 1 25 LEU QD A 24 . HD11 1 1 274 1 1 1 1 25 LEU H A 24 . HN 1 1 274 1 2 1 1 26 ALA H A 25 . HN 1 1 275 1 1 1 1 25 LEU HA A 24 . HA 1 1 275 1 2 1 1 25 LEU QD A 24 . HD21 1 1 276 1 1 1 1 25 LEU HA A 24 . HA 1 1 276 1 2 1 1 28 TYR H A 27 . HN 1 1 277 1 1 1 1 25 LEU HA A 24 . HA 1 1 277 1 2 1 1 28 TYR HB2 A 27 . HB1 1 1 278 1 1 1 1 25 LEU HA A 24 . HA 1 1 278 1 2 1 1 28 TYR HB3 A 27 . HB2 1 1 279 2 1 1 1 25 LEU HB2 A 24 . HB2 1 1 279 2 2 1 1 25 LEU QD A 24 . HD11 1 1 279 3 1 1 1 32 LEU HB3 A 31 . HB1 1 1 279 3 2 1 1 32 LEU QD A 31 . HD11 1 1 280 1 1 1 1 25 LEU HB3 A 24 . HB1 1 1 280 1 2 1 1 25 LEU QD A 24 . HD21 1 1 281 1 1 1 1 25 LEU HB3 A 24 . HB1 1 1 281 1 2 1 1 26 ALA H A 25 . HN 1 1 282 1 1 1 1 25 LEU QD A 24 . HD21 1 1 282 1 2 1 1 26 ALA H A 25 . HN 1 1 283 1 1 1 1 25 LEU QD A 24 . HD21 1 1 283 1 2 1 1 28 TYR H A 27 . HN 1 1 284 2 1 1 1 25 LEU QD A 24 . HD21 1 1 284 2 2 1 1 28 TYR HB3 A 27 . HB2 1 1 284 3 1 1 1 32 LEU QD A 31 . HD21 1 1 284 3 2 1 1 35 TYR QB A 34 . HB2 1 1 285 1 1 1 1 25 LEU QD A 24 . HD21 1 1 285 1 2 1 1 29 GLN H A 28 . HN 1 1 286 1 1 1 1 25 LEU QD A 24 . HD11 1 1 286 1 1 1 1 32 LEU QD A 31 . HD11 1 1 286 1 2 1 1 29 GLN HA A 28 . HA 1 1 287 1 1 1 1 25 LEU QD A 24 . HD21 1 1 287 1 2 1 1 29 GLN HE21 A 28 . HE21 1 1 288 1 1 1 1 25 LEU QD A 24 . HD21 1 1 288 1 2 1 1 29 GLN HG2 A 28 . HG2 1 1 289 1 1 1 1 25 LEU QD A 24 . HD21 1 1 289 1 2 1 1 29 GLN HG3 A 28 . HG1 1 1 290 2 1 1 1 25 LEU QD A 24 . HD21 1 1 290 2 2 1 1 30 LYS H A 29 . HN 1 1 290 3 1 1 1 32 LEU QD A 31 . HD21 1 1 290 3 2 1 1 33 ALA H A 32 . HN 1 1 291 1 1 1 1 26 ALA H A 25 . HN 1 1 291 1 2 1 1 26 ALA HA A 25 . HA 1 1 292 1 1 1 1 26 ALA H A 25 . HN 1 1 292 1 2 1 1 26 ALA MB A 25 . HB1 1 1 293 1 1 1 1 26 ALA H A 25 . HN 1 1 293 1 2 1 1 27 LYS H A 26 . HN 1 1 294 1 1 1 1 26 ALA HA A 25 . HA 1 1 294 1 2 1 1 29 GLN H A 28 . HN 1 1 295 1 1 1 1 26 ALA MB A 25 . HB1 1 1 295 1 2 1 1 27 LYS H A 26 . HN 1 1 296 1 1 1 1 26 ALA MB A 25 . HB1 1 1 296 1 1 1 1 27 LYS QG A 26 . HG1 1 1 296 1 2 1 1 28 TYR H A 27 . HN 1 1 297 2 1 1 1 26 ALA MB A 25 . HB1 1 1 297 2 2 1 1 29 GLN HG3 A 28 . HG1 1 1 297 3 1 1 1 33 ALA MB A 32 . HB1 1 1 297 3 2 1 1 34 ASP QB A 33 . HB1 1 1 298 1 1 1 1 27 LYS H A 26 . HN 1 1 298 1 2 1 1 27 LYS HA A 26 . HA 1 1 299 1 1 1 1 27 LYS H A 26 . HN 1 1 299 1 2 1 1 27 LYS HB2 A 26 . HB1 1 1 300 1 1 1 1 27 LYS H A 26 . HN 1 1 300 1 2 1 1 27 LYS HB3 A 26 . HB2 1 1 301 1 1 1 1 27 LYS H A 26 . HN 1 1 301 1 2 1 1 28 TYR H A 27 . HN 1 1 302 1 1 1 1 27 LYS HA A 26 . HA 1 1 302 1 2 1 1 27 LYS HB2 A 26 . HB1 1 1 303 2 1 1 1 27 LYS HA A 26 . HA 1 1 303 2 2 1 1 27 LYS HB2 A 26 . HB1 1 1 303 3 1 1 1 30 LYS HA A 29 . HA 1 1 303 3 2 1 1 30 LYS HB2 A 29 . HB1 1 1 304 1 1 1 1 27 LYS HA A 26 . HA 1 1 304 1 2 1 1 27 LYS QG A 26 . HG1 1 1 305 2 1 1 1 27 LYS HA A 26 . HA 1 1 305 2 2 1 1 27 LYS HG3 A 26 . HG2 1 1 305 3 1 1 1 30 LYS HA A 29 . HA 1 1 305 3 2 1 1 30 LYS HG3 A 29 . HG2 1 1 305 4 1 1 1 33 ALA HA A 32 . HA 1 1 305 4 2 1 1 33 ALA MB A 32 . HB1 1 1 306 2 1 1 1 27 LYS HA A 26 . HA 1 1 306 2 1 1 1 30 LYS HA A 29 . HA 1 1 306 2 2 1 1 31 ASP H A 30 . HN 1 1 306 3 1 1 1 30 LYS HA A 29 . HA 1 1 306 3 2 1 1 32 LEU H A 31 . HN 1 1 307 1 1 1 1 27 LYS HA A 26 . HA 1 1 307 1 1 1 1 30 LYS HA A 29 . HA 1 1 307 1 2 1 1 30 LYS HB3 A 29 . HB2 1 1 308 1 1 1 1 27 LYS HB2 A 26 . HB1 1 1 308 1 2 1 1 28 TYR H A 27 . HN 1 1 309 1 1 1 1 27 LYS HB3 A 26 . HB2 1 1 309 1 2 1 1 28 TYR H A 27 . HN 1 1 310 1 1 1 1 28 TYR H A 27 . HN 1 1 310 1 2 1 1 28 TYR HA A 27 . HA 1 1 311 1 1 1 1 28 TYR H A 27 . HN 1 1 311 1 2 1 1 28 TYR HB2 A 27 . HB1 1 1 312 1 1 1 1 28 TYR H A 27 . HN 1 1 312 1 2 1 1 28 TYR HB3 A 27 . HB2 1 1 313 1 1 1 1 28 TYR H A 27 . HN 1 1 313 1 2 1 1 28 TYR QD A 27 . HD1 1 1 314 1 1 1 1 28 TYR H A 27 . HN 1 1 314 1 2 1 1 29 GLN H A 28 . HN 1 1 315 1 1 1 1 28 TYR HA A 27 . HA 1 1 315 1 2 1 1 28 TYR HB3 A 27 . HB2 1 1 316 1 1 1 1 28 TYR HA A 27 . HA 1 1 316 1 2 1 1 28 TYR QD A 27 . HD1 1 1 317 1 1 1 1 28 TYR HA A 27 . HA 1 1 317 1 2 1 1 31 ASP H A 30 . HN 1 1 317 1 2 1 1 32 LEU H A 31 . HN 1 1 318 1 1 1 1 28 TYR HB2 A 27 . HB1 1 1 318 1 2 1 1 28 TYR QD A 27 . HD1 1 1 319 1 1 1 1 28 TYR HB2 A 27 . HB1 1 1 319 1 2 1 1 29 GLN H A 28 . HN 1 1 320 1 1 1 1 28 TYR HB3 A 27 . HB2 1 1 320 1 2 1 1 28 TYR QD A 27 . HD1 1 1 321 1 1 1 1 28 TYR HB3 A 27 . HB2 1 1 321 1 2 1 1 29 GLN H A 28 . HN 1 1 322 1 1 1 1 28 TYR QD A 27 . HD1 1 1 322 1 2 1 1 29 GLN H A 28 . HN 1 1 323 1 1 1 1 28 TYR QD A 27 . HD1 1 1 323 1 2 1 1 29 GLN HA A 28 . HA 1 1 324 1 1 1 1 28 TYR QD A 27 . HD1 1 1 324 1 1 1 1 29 GLN HE22 A 28 . HE22 1 1 324 1 2 1 1 29 GLN HG3 A 28 . HG1 1 1 325 1 1 1 1 28 TYR QD A 27 . HD1 1 1 325 1 2 1 1 32 LEU QD A 31 . HD21 1 1 326 1 1 1 1 28 TYR QE A 27 . HE1 1 1 326 1 2 1 1 32 LEU QD A 31 . HD21 1 1 327 1 1 1 1 29 GLN H A 28 . HN 1 1 327 1 2 1 1 29 GLN HA A 28 . HA 1 1 328 1 1 1 1 29 GLN H A 28 . HN 1 1 328 1 2 1 1 29 GLN HB2 A 28 . HB2 1 1 329 1 1 1 1 29 GLN H A 28 . HN 1 1 329 1 2 1 1 29 GLN HB3 A 28 . HB1 1 1 330 1 1 1 1 29 GLN H A 28 . HN 1 1 330 1 2 1 1 29 GLN HG2 A 28 . HG2 1 1 331 1 1 1 1 29 GLN H A 28 . HN 1 1 331 1 2 1 1 29 GLN HG3 A 28 . HG1 1 1 332 1 1 1 1 29 GLN H A 28 . HN 1 1 332 1 2 1 1 30 LYS H A 29 . HN 1 1 333 1 1 1 1 29 GLN H A 28 . HN 1 1 333 1 2 1 1 31 ASP H A 30 . HN 1 1 333 1 2 1 1 32 LEU H A 31 . HN 1 1 334 1 1 1 1 29 GLN HA A 28 . HA 1 1 334 1 2 1 1 29 GLN HB2 A 28 . HB2 1 1 335 1 1 1 1 29 GLN HA A 28 . HA 1 1 335 1 2 1 1 29 GLN HB3 A 28 . HB1 1 1 336 1 1 1 1 29 GLN HA A 28 . HA 1 1 336 1 2 1 1 29 GLN HG2 A 28 . HG2 1 1 337 1 1 1 1 29 GLN HA A 28 . HA 1 1 337 1 2 1 1 29 GLN HG3 A 28 . HG1 1 1 338 1 1 1 1 29 GLN HA A 28 . HA 1 1 338 1 2 1 1 30 LYS H A 29 . HN 1 1 339 1 1 1 1 29 GLN HA A 28 . HA 1 1 339 1 2 1 1 32 LEU H A 31 . HN 1 1 340 1 1 1 1 29 GLN HA A 28 . HA 1 1 340 1 2 1 1 32 LEU HB2 A 31 . HB2 1 1 341 1 1 1 1 29 GLN HA A 28 . HA 1 1 341 1 2 1 1 32 LEU QD A 31 . HD21 1 1 342 1 1 1 1 29 GLN HB2 A 28 . HB2 1 1 342 1 2 1 1 29 GLN HG3 A 28 . HG1 1 1 343 1 1 1 1 29 GLN HB2 A 28 . HB2 1 1 343 1 1 1 1 30 LYS HB3 A 29 . HB2 1 1 343 1 2 1 1 30 LYS H A 29 . HN 1 1 344 1 1 1 1 29 GLN HB3 A 28 . HB1 1 1 344 1 2 1 1 30 LYS H A 29 . HN 1 1 345 1 1 1 1 29 GLN HE21 A 28 . HE21 1 1 345 1 2 1 1 29 GLN HG2 A 28 . HG2 1 1 346 1 1 1 1 29 GLN HE21 A 28 . HE21 1 1 346 1 2 1 1 29 GLN HG3 A 28 . HG1 1 1 347 1 1 1 1 29 GLN HE22 A 28 . HE22 1 1 347 1 2 1 1 29 GLN HG2 A 28 . HG2 1 1 348 1 1 1 1 29 GLN HE22 A 28 . HE22 1 1 348 1 2 1 1 29 GLN HG3 A 28 . HG1 1 1 349 2 1 1 1 29 GLN HG3 A 28 . HG1 1 1 349 2 1 1 1 34 ASP QB A 33 . HB1 1 1 349 2 2 1 1 32 LEU H A 31 . HN 1 1 349 3 1 1 1 31 ASP H A 30 . HN 1 1 349 3 2 1 1 34 ASP QB A 33 . HB1 1 1 350 1 1 1 1 30 LYS H A 29 . HN 1 1 350 1 2 1 1 30 LYS HA A 29 . HA 1 1 351 2 1 1 1 30 LYS H A 29 . HN 1 1 351 2 2 1 1 30 LYS HA A 29 . HA 1 1 351 3 1 1 1 33 ALA H A 32 . HN 1 1 351 3 2 1 1 33 ALA HA A 32 . HA 1 1 352 1 1 1 1 30 LYS H A 29 . HN 1 1 352 1 2 1 1 30 LYS HB2 A 29 . HB1 1 1 353 1 1 1 1 30 LYS H A 29 . HN 1 1 353 1 2 1 1 31 ASP H A 30 . HN 1 1 354 2 1 1 1 30 LYS H A 29 . HN 1 1 354 2 2 1 1 31 ASP H A 30 . HN 1 1 354 3 1 1 1 32 LEU H A 31 . HN 1 1 354 3 2 1 1 33 ALA H A 32 . HN 1 1 355 1 1 1 1 30 LYS HB2 A 29 . HB1 1 1 355 1 2 1 1 31 ASP H A 30 . HN 1 1 356 1 1 1 1 30 LYS HB3 A 29 . HB2 1 1 356 1 2 1 1 31 ASP H A 30 . HN 1 1 357 2 1 1 1 30 LYS HG2 A 29 . HG1 1 1 357 2 2 1 1 31 ASP H A 30 . HN 1 1 357 3 1 1 1 32 LEU H A 31 . HN 1 1 357 3 2 1 1 32 LEU HB2 A 31 . HB2 1 1 357 3 2 1 1 33 ALA MB A 32 . HB1 1 1 358 1 1 1 1 31 ASP H A 30 . HN 1 1 358 1 1 1 1 32 LEU H A 31 . HN 1 1 358 1 2 1 1 31 ASP HA A 30 . HA 1 1 359 1 1 1 1 31 ASP H A 30 . HN 1 1 359 1 2 1 1 31 ASP HB2 A 30 . HB1 1 1 360 1 1 1 1 31 ASP H A 30 . HN 1 1 360 1 2 1 1 31 ASP HB3 A 30 . HB2 1 1 361 1 1 1 1 31 ASP H A 30 . HN 1 1 361 1 1 1 1 32 LEU H A 31 . HN 1 1 361 1 2 1 1 31 ASP HB3 A 30 . HB2 1 1 362 1 1 1 1 31 ASP H A 30 . HN 1 1 362 1 1 1 1 32 LEU H A 31 . HN 1 1 362 1 2 1 1 34 ASP H A 33 . HN 1 1 363 1 1 1 1 31 ASP HA A 30 . HA 1 1 363 1 2 1 1 34 ASP H A 33 . HN 1 1 364 1 1 1 1 31 ASP HA A 30 . HA 1 1 364 1 2 1 1 34 ASP QB A 33 . HB1 1 1 365 1 1 1 1 32 LEU H A 31 . HN 1 1 365 1 2 1 1 32 LEU HA A 31 . HA 1 1 366 1 1 1 1 32 LEU H A 31 . HN 1 1 366 1 2 1 1 32 LEU HB2 A 31 . HB2 1 1 367 1 1 1 1 32 LEU H A 31 . HN 1 1 367 1 2 1 1 32 LEU HB2 A 31 . HB2 1 1 367 1 2 1 1 33 ALA MB A 32 . HB1 1 1 368 1 1 1 1 32 LEU H A 31 . HN 1 1 368 1 2 1 1 32 LEU QD A 31 . HD11 1 1 369 1 1 1 1 32 LEU H A 31 . HN 1 1 369 1 2 1 1 33 ALA H A 32 . HN 1 1 370 1 1 1 1 32 LEU HA A 31 . HA 1 1 370 1 2 1 1 32 LEU HB2 A 31 . HB2 1 1 371 1 1 1 1 32 LEU HA A 31 . HA 1 1 371 1 2 1 1 32 LEU QD A 31 . HD21 1 1 372 1 1 1 1 32 LEU HA A 31 . HA 1 1 372 1 2 1 1 33 ALA H A 32 . HN 1 1 373 1 1 1 1 32 LEU HA A 31 . HA 1 1 373 1 2 1 1 35 TYR H A 34 . HN 1 1 374 1 1 1 1 32 LEU HA A 31 . HA 1 1 374 1 2 1 1 35 TYR QB A 34 . HB2 1 1 375 1 1 1 1 32 LEU HB2 A 31 . HB2 1 1 375 1 2 1 1 32 LEU QD A 31 . HD21 1 1 376 1 1 1 1 32 LEU QD A 31 . HD11 1 1 376 1 2 1 1 33 ALA H A 32 . HN 1 1 377 1 1 1 1 33 ALA H A 32 . HN 1 1 377 1 2 1 1 33 ALA HA A 32 . HA 1 1 378 1 1 1 1 33 ALA H A 32 . HN 1 1 378 1 2 1 1 33 ALA MB A 32 . HB1 1 1 379 1 1 1 1 33 ALA H A 32 . HN 1 1 379 1 2 1 1 34 ASP H A 33 . HN 1 1 380 1 1 1 1 33 ALA HA A 32 . HA 1 1 380 1 2 1 1 34 ASP H A 33 . HN 1 1 381 1 1 1 1 33 ALA MB A 32 . HB1 1 1 381 1 2 1 1 34 ASP H A 33 . HN 1 1 382 1 1 1 1 34 ASP H A 33 . HN 1 1 382 1 2 1 1 34 ASP HA A 33 . HA 1 1 383 1 1 1 1 34 ASP H A 33 . HN 1 1 383 1 2 1 1 34 ASP QB A 33 . HB1 1 1 384 1 1 1 1 34 ASP H A 33 . HN 1 1 384 1 2 1 1 35 TYR H A 34 . HN 1 1 385 1 1 1 1 34 ASP HA A 33 . HA 1 1 385 1 2 1 1 34 ASP QB A 33 . HB1 1 1 386 1 1 1 1 34 ASP HA A 33 . HA 1 1 386 1 2 1 1 35 TYR H A 34 . HN 1 1 387 1 1 1 1 34 ASP QB A 33 . HB1 1 1 387 1 2 1 1 35 TYR H A 34 . HN 1 1 388 1 1 1 1 35 TYR H A 34 . HN 1 1 388 1 2 1 1 35 TYR HA A 34 . HA 1 1 389 1 1 1 1 35 TYR H A 34 . HN 1 1 389 1 2 1 1 35 TYR QB A 34 . HB1 1 1 390 1 1 1 1 35 TYR HA A 34 . HA 1 1 390 1 2 1 1 35 TYR QB A 34 . HB2 1 1 391 1 1 1 1 35 TYR HA A 34 . HA 1 1 391 1 2 1 1 35 TYR QD A 34 . HD1 1 1 392 1 1 1 1 35 TYR HA A 34 . HA 1 1 392 1 2 1 1 35 TYR QE A 34 . HE1 1 1 393 1 1 1 1 35 TYR QB A 34 . HB2 1 1 393 1 2 1 1 35 TYR QD A 34 . HD1 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.485 1.713 3.257 1 1 2 1 . . . . . 2.42 1.688 3.152 1 1 3 1 . . . . . 2.385 1.674 3.096 1 1 4 1 . . . . . 3.017 1.88 4.154 1 1 5 1 . . . . . 2.929 1.856 4.002 1 1 6 1 . . . . . 4.122 1.998 6.246 1 1 7 1 . . . . . 3.43 1.959 4.901 1 1 8 1 . . . . . 3.438 1.961 4.915 1 1 9 1 . . . . . 3.653 2.41 4.896 1 1 10 1 . . . . . 2.718 1.794 3.642 1 1 11 1 . . . . . 3.809 2.681 4.937 1 1 12 1 . . . . . 2.842 1.833 3.851 1 1 13 2 . . . . . 4.002 2.72 5.284 1 1 13 3 . . . . . 4.002 2.72 5.284 1 1 14 1 . . . . . 3.932 1.999 5.865 1 1 15 1 . . . . . 2.556 1.739 3.373 1 1 16 1 . . . . . 2.181 1.586 2.776 1 1 17 1 . . . . . 3.351 1.947 4.755 1 1 18 1 . . . . . 2.543 1.735 3.351 1 1 19 1 . . . . . 2.938 1.859 4.017 1 1 20 1 . . . . . 3.785 1.994 5.576 1 1 21 1 . . . . . 3.646 1.984 5.308 1 1 22 1 . . . . . 2.86 1.838 3.882 1 1 23 1 . . . . . 2.89 1.846 3.934 1 1 24 1 . . . . . 3.905 2.85 4.96 1 1 25 1 . . . . . 2.752 1.806 3.698 1 1 26 1 . . . . . 2.883 1.844 3.922 1 1 27 1 . . . . . 3.521 1.972 5.07 1 1 28 1 . . . . . 3.275 1.935 4.615 1 1 29 1 . . . . . 3.124 1.904 4.344 1 1 30 1 . . . . . 3.344 2.657 4.031 1 1 31 1 . . . . . 3.293 1.938 4.648 1 1 32 1 . . . . . 2.969 1.867 4.071 1 1 33 1 . . . . . 2.571 1.745 3.397 1 1 34 1 . . . . . 3.33 1.943 4.717 1 1 35 1 . . . . . 2.749 1.805 3.693 1 1 36 1 . . . . . 2.13 1.563 2.697 1 1 37 1 . . . . . 2.103 1.55 2.656 1 1 38 1 . . . . . 3.654 1.985 5.323 1 1 39 1 . . . . . 1.924 1.461 2.387 1 1 40 1 . . . . . 3.457 1.963 4.951 1 1 41 1 . . . . . 2.298 1.638 2.958 1 1 42 1 . . . . . 2.914 1.853 3.975 1 1 43 1 . . . . . 2.699 1.788 3.61 1 1 44 1 . . . . . 2.726 1.797 3.655 1 1 45 1 . . . . . 4.72 1.935 7.505 1 1 46 1 . . . . . 3.172 1.915 4.429 1 1 47 1 . . . . . 3.326 1.943 4.709 1 1 48 1 . . . . . 3.501 2.22 4.782 1 1 49 1 . . . . . 3.404 1.955 4.853 1 1 50 1 . . . . . 3.309 2.522 4.096 1 1 51 1 . . . . . 2.644 1.77 3.518 1 1 52 1 . . . . . 3.029 1.882 4.176 1 1 53 1 . . . . . 2.809 1.823 3.795 1 1 54 1 . . . . . 2.54 1.734 3.346 1 1 55 1 . . . . . 4.085 2.736 5.434 1 1 56 1 . . . . . 2.562 1.742 3.382 1 1 57 1 . . . . . 2.7 1.789 3.611 1 1 58 1 . . . . . 2.12 1.558 2.682 1 1 59 1 . . . . . 3.826 1.996 5.656 1 1 60 1 . . . . . 3.449 1.962 4.936 1 1 61 1 . . . . . 2.863 1.838 3.888 1 1 62 1 . . . . . 2.379 1.672 3.086 1 1 63 2 . . . . . 2.629 1.765 3.493 1 1 63 3 . . . . . 2.629 1.765 3.493 1 1 64 1 . . . . . 3.373 1.951 4.795 1 1 65 1 . . . . . 3.356 1.948 4.764 1 1 66 1 . . . . . 2.676 1.781 3.571 1 1 67 1 . . . . . 2.435 1.694 3.176 1 1 68 1 . . . . . 2.825 2.028 3.622 1 1 69 1 . . . . . 2.284 1.632 2.936 1 1 70 1 . . . . . 2.447 1.699 3.195 1 1 71 1 . . . . . 2.802 2.15 3.454 1 1 72 1 . . . . . 1.873 1.434 2.312 1 1 73 1 . . . . . 3.049 1.887 4.211 1 1 74 1 . . . . . 2.823 2.205 3.441 1 1 75 1 . . . . . 2.799 1.819 3.779 1 1 76 1 . . . . . 2.466 1.706 3.226 1 1 77 1 . . . . . 3.083 1.895 4.271 1 1 78 1 . . . . . 4.26 1.992 6.528 1 1 79 1 . . . . . 3.207 1.922 4.492 1 1 80 1 . . . . . 2.873 1.841 3.905 1 1 81 1 . . . . . 2.849 1.834 3.864 1 1 82 1 . . . . . 2.737 1.801 3.673 1 1 83 1 . . . . . 2.997 1.874 4.12 1 1 84 1 . . . . . 3.196 1.919 4.473 1 1 85 1 . . . . . 2.451 1.7 3.202 1 1 86 1 . . . . . 2.511 1.723 3.299 1 1 87 1 . . . . . 3.537 1.973 5.101 1 1 88 1 . . . . . 4.162 1.997 6.327 1 1 89 1 . . . . . 3.038 1.884 4.192 1 1 90 1 . . . . . 3.007 1.876 4.138 1 1 91 1 . . . . . 2.171 1.582 2.76 1 1 92 1 . . . . . 3.307 1.94 4.674 1 1 93 1 . . . . . 3.342 1.981 4.739 1 1 94 1 . . . . . 4.051 2.562 5.54 1 1 95 1 . . . . . 5.0 3.9 6.1 1 1 96 1 . . . . . 2.992 1.873 4.111 1 1 97 1 . . . . . 2.734 1.8 3.668 1 1 98 1 . . . . . 2.543 1.734 3.352 1 1 99 1 . . . . . 3.991 2.872 5.11 1 1 100 1 . . . . . 2.742 1.802 3.682 1 1 101 1 . . . . . 2.722 1.796 3.648 1 1 102 1 . . . . . 2.872 1.841 3.903 1 1 103 1 . . . . . 2.623 1.763 3.483 1 1 104 1 . . . . . 2.873 1.841 3.905 1 1 105 1 . . . . . 2.598 1.755 3.441 1 1 106 1 . . . . . 2.909 1.851 3.967 1 1 107 1 . . . . . 2.744 1.803 3.685 1 1 108 1 . . . . . 2.911 1.852 3.97 1 1 109 1 . . . . . 2.854 1.836 3.872 1 1 110 1 . . . . . 2.817 1.825 3.809 1 1 111 1 . . . . . 2.309 1.642 2.976 1 1 112 1 . . . . . 2.73 1.799 3.661 1 1 113 1 . . . . . 2.454 1.983 3.207 1 1 114 1 . . . . . 3.613 1.981 5.245 1 1 115 1 . . . . . 3.892 1.998 5.786 1 1 116 1 . . . . . 2.654 1.774 3.534 1 1 117 1 . . . . . 1.947 1.473 2.421 1 1 118 1 . . . . . 1.988 1.494 2.482 1 1 119 1 . . . . . 2.141 1.568 2.714 1 1 120 1 . . . . . 3.398 1.955 4.841 1 1 121 1 . . . . . 2.35 1.66 3.04 1 1 122 1 . . . . . 3.427 1.959 4.895 1 1 123 2 . . . . . 3.338 1.946 4.73 1 1 123 3 . . . . . 3.338 1.946 4.73 1 1 124 1 . . . . . 2.638 1.768 3.508 1 1 125 1 . . . . . 2.018 1.509 2.527 1 1 126 1 . . . . . 3.993 2.874 5.112 1 1 127 1 . . . . . 3.105 1.9 4.31 1 1 128 1 . . . . . 2.747 1.803 3.691 1 1 129 1 . . . . . 1.994 1.497 2.491 1 1 130 2 . . . . . 4.12 1.999 6.241 1 1 130 3 . . . . . 4.12 1.999 6.241 1 1 131 1 . . . . . 2.651 1.773 3.529 1 1 132 1 . . . . . 2.116 1.556 2.676 1 1 133 1 . . . . . 4.246 1.993 6.499 1 1 134 1 . . . . . 4.236 1.994 6.478 1 1 135 1 . . . . . 3.682 1.988 5.376 1 1 136 1 . . . . . 1.963 1.481 2.445 1 1 137 1 . . . . . 2.467 1.706 3.228 1 1 138 1 . . . . . 3.1 1.899 4.301 1 1 139 1 . . . . . 2.695 1.787 3.603 1 1 140 1 . . . . . 3.155 1.911 4.399 1 1 141 1 . . . . . 3.261 1.931 4.591 1 1 142 1 . . . . . 2.666 1.777 3.555 1 1 143 1 . . . . . 3.468 1.965 4.971 1 1 144 1 . . . . . 3.05 1.887 4.213 1 1 145 2 . . . . . 2.441 1.696 3.186 1 1 145 3 . . . . . 2.441 1.696 3.186 1 1 146 1 . . . . . 2.73 1.798 3.662 1 1 147 1 . . . . . 3.057 1.889 4.225 1 1 148 1 . . . . . 2.353 1.661 3.045 1 1 149 1 . . . . . 3.33 1.944 4.716 1 1 150 1 . . . . . 3.914 1.999 5.829 1 1 151 1 . . . . . 2.903 1.849 3.957 1 1 152 1 . . . . . 3.439 1.961 4.917 1 1 153 1 . . . . . 3.864 1.997 5.731 1 1 154 1 . . . . . 3.696 1.989 5.403 1 1 155 1 . . . . . 4.147 1.997 6.297 1 1 156 1 . . . . . 2.485 1.713 3.257 1 1 157 1 . . . . . 2.805 1.821 3.789 1 1 158 1 . . . . . 2.999 1.874 4.124 1 1 159 1 . . . . . 2.612 1.759 3.465 1 1 160 1 . . . . . 3.892 1.999 5.785 1 1 161 1 . . . . . 2.564 1.742 3.386 1 1 162 1 . . . . . 2.502 1.72 3.284 1 1 163 1 . . . . . 2.72 1.795 3.645 1 1 164 1 . . . . . 4.406 1.979 6.833 1 1 165 1 . . . . . 2.624 1.764 3.484 1 1 166 2 . . . . . 2.556 1.739 3.373 1 1 166 3 . . . . . 2.556 1.739 3.373 1 1 167 1 . . . . . 2.609 1.758 3.46 1 1 168 1 . . . . . 2.899 1.848 3.95 1 1 169 1 . . . . . 2.673 1.78 3.566 1 1 170 1 . . . . . 2.548 1.736 3.36 1 1 171 2 . . . . . 3.013 1.924 4.102 1 1 171 3 . . . . . 3.013 1.924 4.102 1 1 172 1 . . . . . 2.94 1.86 4.02 1 1 173 1 . . . . . 3.872 1.998 5.746 1 1 174 1 . . . . . 2.765 1.809 3.721 1 1 175 1 . . . . . 2.806 2.021 3.591 1 1 176 1 . . . . . 2.442 1.697 3.187 1 1 177 1 . . . . . 2.702 1.789 3.615 1 1 178 2 . . . . . 2.592 1.752 3.432 1 1 178 3 . . . . . 2.592 1.752 3.432 1 1 179 1 . . . . . 2.86 1.838 3.882 1 1 180 1 . . . . . 2.744 1.803 3.685 1 1 181 2 . . . . . 2.491 1.716 3.266 1 1 181 3 . . . . . 2.491 1.716 3.266 1 1 182 1 . . . . . 3.007 1.877 4.137 1 1 183 1 . . . . . 2.607 1.758 3.456 1 1 184 1 . . . . . 2.591 1.752 3.43 1 1 185 1 . . . . . 2.381 1.672 3.09 1 1 186 1 . . . . . 2.876 2.11 3.642 1 1 187 1 . . . . . 3.156 1.911 4.401 1 1 188 1 . . . . . 3.364 1.949 4.779 1 1 189 1 . . . . . 3.05 1.888 4.212 1 1 190 1 . . . . . 3.225 1.925 4.525 1 1 191 1 . . . . . 2.657 1.775 3.539 1 1 192 1 . . . . . 2.965 1.866 4.064 1 1 193 1 . . . . . 2.029 1.514 2.544 1 1 194 2 . . . . . 2.741 1.802 3.68 1 1 194 3 . . . . . 2.741 1.802 3.68 1 1 195 1 . . . . . 2.784 1.815 3.753 1 1 196 1 . . . . . 2.249 1.617 2.881 1 1 197 1 . . . . . 2.944 1.861 4.027 1 1 198 1 . . . . . 2.056 1.528 2.584 1 1 199 1 . . . . . 1.988 1.494 2.482 1 1 200 1 . . . . . 4.077 3.266 4.888 1 1 201 1 . . . . . 2.411 1.684 3.138 1 1 202 1 . . . . . 2.045 1.522 2.568 1 1 203 1 . . . . . 2.465 1.706 3.224 1 1 204 1 . . . . . 1.793 1.391 2.195 1 1 205 1 . . . . . 3.22 1.924 4.516 1 1 206 1 . . . . . 2.997 1.874 4.12 1 1 207 1 . . . . . 2.758 1.807 3.709 1 1 208 1 . . . . . 3.746 1.991 5.501 1 1 209 1 . . . . . 3.133 1.906 4.36 1 1 210 1 . . . . . 2.446 1.698 3.194 1 1 211 2 . . . . . 3.25 1.93 4.57 1 1 211 3 . . . . . 3.25 1.93 4.57 1 1 211 4 . . . . . 3.25 1.93 4.57 1 1 212 1 . . . . . 2.582 1.749 3.415 1 1 213 1 . . . . . 2.525 1.728 3.322 1 1 214 1 . . . . . 2.525 1.728 3.322 1 1 215 1 . . . . . 3.087 1.896 4.278 1 1 216 1 . . . . . 2.383 1.673 3.093 1 1 217 2 . . . . . 2.706 1.79 3.622 1 1 217 3 . . . . . 2.706 1.79 3.622 1 1 218 2 . . . . . 2.033 1.517 2.549 1 1 218 3 . . . . . 2.033 1.517 2.549 1 1 219 1 . . . . . 2.923 1.855 3.991 1 1 220 1 . . . . . 2.462 1.704 3.22 1 1 221 1 . . . . . 2.857 1.837 3.877 1 1 222 1 . . . . . 2.8 1.82 3.78 1 1 223 1 . . . . . 2.389 1.675 3.103 1 1 224 2 . . . . . 2.438 1.695 3.181 1 1 224 3 . . . . . 2.438 1.695 3.181 1 1 225 1 . . . . . 2.545 1.735 3.355 1 1 226 2 . . . . . 3.06 1.89 4.23 1 1 226 3 . . . . . 3.06 1.89 4.23 1 1 227 1 . . . . . 2.467 1.706 3.228 1 1 228 2 . . . . . 3.91 1.999 5.821 1 1 228 3 . . . . . 3.91 1.999 5.821 1 1 229 1 . . . . . 2.576 1.747 3.405 1 1 230 1 . . . . . 2.829 1.828 3.83 1 1 231 1 . . . . . 3.382 1.952 4.812 1 1 232 1 . . . . . 3.064 1.89 4.238 1 1 233 2 . . . . . 2.262 1.622 2.902 1 1 233 3 . . . . . 2.262 1.622 2.902 1 1 234 1 . . . . . 3.64 1.984 5.296 1 1 235 1 . . . . . 2.638 1.768 3.508 1 1 236 1 . . . . . 2.851 1.835 3.867 1 1 237 1 . . . . . 3.438 1.961 4.915 1 1 238 1 . . . . . 3.273 1.934 4.612 1 1 239 1 . . . . . 4.02 2.955 5.085 1 1 240 1 . . . . . 2.705 1.79 3.62 1 1 241 1 . . . . . 2.576 1.746 3.406 1 1 242 1 . . . . . 3.268 1.933 4.603 1 1 243 1 . . . . . 2.486 1.714 3.258 1 1 244 1 . . . . . 2.963 1.866 4.06 1 1 245 1 . . . . . 2.478 1.71 3.246 1 1 246 1 . . . . . 2.649 1.772 3.526 1 1 247 1 . . . . . 3.327 1.943 4.711 1 1 248 1 . . . . . 3.181 1.916 4.446 1 1 249 1 . . . . . 2.637 1.768 3.506 1 1 250 1 . . . . . 3.207 1.922 4.492 1 1 251 1 . . . . . 3.61 1.981 5.239 1 1 252 1 . . . . . 2.454 1.701 3.207 1 1 253 1 . . . . . 2.977 1.869 4.085 1 1 254 1 . . . . . 2.529 1.73 3.328 1 1 255 1 . . . . . 3.559 1.976 5.142 1 1 256 1 . . . . . 2.564 1.742 3.386 1 1 257 1 . . . . . 2.524 1.728 3.32 1 1 258 1 . . . . . 1.93 1.465 2.395 1 1 259 1 . . . . . 2.482 1.712 3.252 1 1 260 1 . . . . . 1.881 1.439 2.323 1 1 261 1 . . . . . 3.215 1.923 4.507 1 1 262 1 . . . . . 3.049 1.887 4.211 1 1 263 1 . . . . . 2.346 1.658 3.034 1 1 264 1 . . . . . 2.741 1.802 3.68 1 1 265 1 . . . . . 3.241 1.928 4.554 1 1 266 1 . . . . . 2.686 1.784 3.588 1 1 267 2 . . . . . 3.083 1.895 4.271 1 1 267 3 . . . . . 3.083 1.895 4.271 1 1 267 4 . . . . . 3.083 1.895 4.271 1 1 268 1 . . . . . 3.196 1.92 4.472 1 1 269 1 . . . . . 3.363 1.949 4.777 1 1 270 1 . . . . . 3.009 1.878 4.14 1 1 271 1 . . . . . 2.79 1.817 3.763 1 1 272 1 . . . . . 2.572 1.745 3.399 1 1 273 1 . . . . . 3.039 1.891 4.193 1 1 274 1 . . . . . 2.604 1.756 3.452 1 1 275 1 . . . . . 1.99 1.813 2.485 1 1 276 1 . . . . . 3.034 1.884 4.184 1 1 277 1 . . . . . 2.828 1.828 3.828 1 1 278 1 . . . . . 2.716 1.794 3.638 1 1 279 2 . . . . . 3.091 1.896 4.286 1 1 279 3 . . . . . 3.091 1.896 4.286 1 1 280 1 . . . . . 2.403 1.681 2.666 1 1 281 1 . . . . . 2.834 1.967 3.701 1 1 282 1 . . . . . 3.312 2.101 4.181 1 1 283 1 . . . . . 3.459 1.964 4.954 1 1 284 2 . . . . . 2.843 1.833 3.853 1 1 284 3 . . . . . 2.843 1.833 3.853 1 1 285 1 . . . . . 3.013 1.878 4.148 1 1 286 1 . . . . . 3.877 1.998 5.756 1 1 287 1 . . . . . 3.37 2.468 4.272 1 1 288 1 . . . . . 3.382 1.952 4.812 1 1 289 1 . . . . . 2.548 1.736 3.36 1 1 290 2 . . . . . 3.39 1.954 4.826 1 1 290 3 . . . . . 3.39 1.954 4.826 1 1 291 1 . . . . . 2.602 1.756 3.448 1 1 292 1 . . . . . 1.957 1.478 2.436 1 1 293 1 . . . . . 2.61 1.759 3.461 1 1 294 1 . . . . . 3.13 1.905 4.355 1 1 295 1 . . . . . 2.446 1.698 3.194 1 1 296 1 . . . . . 3.401 1.956 4.846 1 1 297 2 . . . . . 3.444 1.962 4.926 1 1 297 3 . . . . . 3.444 1.962 4.926 1 1 298 1 . . . . . 2.619 1.761 3.477 1 1 299 1 . . . . . 2.631 1.766 3.496 1 1 300 1 . . . . . 2.544 1.735 3.353 1 1 301 1 . . . . . 2.6 1.755 3.445 1 1 302 1 . . . . . 2.303 1.64 2.966 1 1 303 2 . . . . . 2.23 1.608 2.852 1 1 303 3 . . . . . 2.23 1.608 2.852 1 1 304 1 . . . . . 2.827 2.313 3.341 1 1 305 2 . . . . . 1.947 1.473 2.421 1 1 305 3 . . . . . 1.947 1.473 2.421 1 1 305 4 . . . . . 1.947 1.473 2.421 1 1 306 2 . . . . . 2.944 1.861 4.027 1 1 306 3 . . . . . 2.944 1.861 4.027 1 1 307 1 . . . . . 2.576 1.746 3.406 1 1 308 1 . . . . . 3.813 1.996 5.63 1 1 309 1 . . . . . 2.9 1.849 3.951 1 1 310 1 . . . . . 2.72 1.795 3.645 1 1 311 1 . . . . . 2.624 1.763 3.485 1 1 312 1 . . . . . 2.572 1.745 3.399 1 1 313 1 . . . . . 3.521 1.971 5.071 1 1 314 1 . . . . . 2.835 1.831 3.839 1 1 315 1 . . . . . 2.751 1.805 3.697 1 1 316 1 . . . . . 2.716 1.794 3.638 1 1 317 1 . . . . . 3.11 1.901 4.319 1 1 318 1 . . . . . 2.592 1.752 3.432 1 1 319 1 . . . . . 2.818 1.825 3.811 1 1 320 1 . . . . . 2.483 1.713 3.253 1 1 321 1 . . . . . 3.557 1.976 5.138 1 1 322 1 . . . . . 3.503 1.97 5.036 1 1 323 1 . . . . . 3.382 1.952 4.812 1 1 324 1 . . . . . 3.686 1.987 5.385 1 1 325 1 . . . . . 2.88 2.286 3.474 1 1 326 1 . . . . . 2.81 2.2644 3.3556 1 1 327 1 . . . . . 2.7 1.789 3.611 1 1 328 1 . . . . . 2.501 1.719 3.283 1 1 329 1 . . . . . 3.106 1.9 4.312 1 1 330 1 . . . . . 3.529 1.973 5.085 1 1 331 1 . . . . . 2.702 1.789 3.615 1 1 332 1 . . . . . 2.622 1.762 3.482 1 1 333 1 . . . . . 3.568 1.977 5.159 1 1 334 1 . . . . . 2.817 1.825 3.809 1 1 335 1 . . . . . 2.712 1.793 3.631 1 1 336 1 . . . . . 2.972 1.868 4.076 1 1 337 1 . . . . . 3.05 1.887 4.213 1 1 338 1 . . . . . 3.45 1.962 4.938 1 1 339 1 . . . . . 3.419 1.958 4.88 1 1 340 1 . . . . . 3.428 1.959 4.897 1 1 341 1 . . . . . 3.341 2.259 4.423 1 1 342 1 . . . . . 2.933 1.858 4.008 1 1 343 1 . . . . . 2.482 1.712 3.252 1 1 344 1 . . . . . 3.268 1.933 4.603 1 1 345 1 . . . . . 3.351 1.948 4.754 1 1 346 1 . . . . . 3.023 1.88 4.166 1 1 347 1 . . . . . 3.608 1.981 5.235 1 1 348 1 . . . . . 3.898 1.998 5.798 1 1 349 2 . . . . . 3.381 1.952 4.81 1 1 349 3 . . . . . 3.381 1.952 4.81 1 1 350 1 . . . . . 2.466 1.706 3.226 1 1 351 2 . . . . . 2.358 1.663 3.053 1 1 351 3 . . . . . 2.358 1.663 3.053 1 1 352 1 . . . . . 2.625 1.764 3.486 1 1 353 1 . . . . . 2.465 1.705 3.225 1 1 354 2 . . . . . 2.486 1.714 3.258 1 1 354 3 . . . . . 2.486 1.714 3.258 1 1 355 1 . . . . . 3.529 1.973 5.085 1 1 356 1 . . . . . 2.731 1.799 3.663 1 1 357 2 . . . . . 3.076 1.893 4.259 1 1 357 3 . . . . . 3.076 1.893 4.259 1 1 358 1 . . . . . 2.641 1.769 3.513 1 1 359 1 . . . . . 2.646 1.771 3.521 1 1 360 1 . . . . . 2.772 1.812 3.732 1 1 361 1 . . . . . 2.869 1.84 3.898 1 1 362 1 . . . . . 3.57 1.977 5.163 1 1 363 1 . . . . . 3.191 1.918 4.464 1 1 364 1 . . . . . 2.747 1.804 3.69 1 1 365 1 . . . . . 2.811 1.823 3.799 1 1 366 1 . . . . . 2.998 1.875 4.121 1 1 367 1 . . . . . 3.128 1.905 4.351 1 1 368 1 . . . . . 3.05 2.339 4.213 1 1 369 1 . . . . . 2.413 1.685 3.141 1 1 370 1 . . . . . 2.909 1.851 3.967 1 1 371 1 . . . . . 2.823 1.9719 3.305 1 1 372 1 . . . . . 3.4 1.955 4.845 1 1 373 1 . . . . . 3.19 1.918 4.462 1 1 374 1 . . . . . 3.343 2.186 4.197 1 1 375 1 . . . . . 2.57 1.745 2.841 1 1 376 1 . . . . . 3.321 1.943 4.699 1 1 377 1 . . . . . 2.336 1.654 3.018 1 1 378 1 . . . . . 2.082 1.54 2.624 1 1 379 1 . . . . . 2.496 1.717 3.275 1 1 380 1 . . . . . 3.009 1.877 4.141 1 1 381 1 . . . . . 2.248 1.617 2.879 1 1 382 1 . . . . . 2.605 1.757 3.453 1 1 383 1 . . . . . 2.48 1.711 3.249 1 1 384 1 . . . . . 2.58 1.748 3.412 1 1 385 1 . . . . . 2.528 1.729 3.327 1 1 386 1 . . . . . 3.393 1.954 4.832 1 1 387 1 . . . . . 3.001 1.875 4.127 1 1 388 1 . . . . . 2.752 1.805 3.699 1 1 389 1 . . . . . 2.604 1.757 3.451 1 1 390 1 . . . . . 2.421 1.909 3.154 1 1 391 1 . . . . . 2.594 1.753 3.435 1 1 392 1 . . . . . 3.711 1.99 5.432 1 1 393 1 . . . . . 2.436 1.694 3.098 1 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 4 THR C 1 1 5 LYS N 1 1 5 LYS CA 1 1 5 LYS C -110.0 -32.56 A 3 . C A 4 . N A 4 . CA A 4 . C 1 1 2 . 1 1 5 LYS N 1 1 5 LYS CA 1 1 5 LYS C 1 1 6 PRO N 100.0 190.02 A 4 . N A 4 . CA A 4 . C A 5 . N 1 1 3 . 1 1 6 PRO C 1 1 7 THR N 1 1 7 THR CA 1 1 7 THR C -80.0 -30.499998 A 5 . C A 6 . N A 6 . CA A 6 . C 1 1 4 . 1 1 7 THR N 1 1 7 THR CA 1 1 7 THR C 1 1 8 LYS N -50.0 0.04 A 6 . N A 6 . CA A 6 . C A 7 . N 1 1 5 . 1 1 7 THR C 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C -100.0 -47.48 A 6 . C A 7 . N A 7 . CA A 7 . C 1 1 6 . 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C 1 1 9 PRO N 100.0 201.82 A 7 . N A 7 . CA A 7 . C A 8 . N 1 1 7 . 1 1 8 LYS C 1 1 9 PRO N 1 1 9 PRO CA 1 1 9 PRO C -89.99999 -21.2 A 7 . C A 8 . N A 8 . CA A 8 . C 1 1 8 . 1 1 15 PRO C 1 1 16 GLU N 1 1 16 GLU CA 1 1 16 GLU C -89.99999 -23.5 A 14 . C A 15 . N A 15 . CA A 15 . C 1 1 9 . 1 1 16 GLU N 1 1 16 GLU CA 1 1 16 GLU C 1 1 17 LYS N -70.0 -0.46 A 15 . N A 15 . CA A 15 . C A 16 . N 1 1 10 . 1 1 16 GLU C 1 1 17 LYS N 1 1 17 LYS CA 1 1 17 LYS C -89.99999 -42.22 A 15 . C A 16 . N A 16 . CA A 16 . C 1 1 11 . 1 1 17 LYS N 1 1 17 LYS CA 1 1 17 LYS C 1 1 18 LEU N -70.0 0.5 A 16 . N A 16 . CA A 16 . C A 17 . N 1 1 12 . 1 1 17 LYS C 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU C -89.99999 -38.4 A 16 . C A 17 . N A 17 . CA A 17 . C 1 1 13 . 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU C 1 1 19 ALA N -70.0 -1.3599999 A 17 . N A 17 . CA A 17 . C A 18 . N 1 1 14 . 1 1 18 LEU C 1 1 19 ALA N 1 1 19 ALA CA 1 1 19 ALA C -89.99999 -38.38 A 17 . C A 18 . N A 18 . CA A 18 . C 1 1 15 . 1 1 19 ALA N 1 1 19 ALA CA 1 1 19 ALA C 1 1 20 LYS N -60.0 -12.68 A 18 . N A 18 . CA A 18 . C A 19 . N 1 1 16 . 1 1 19 ALA C 1 1 20 LYS N 1 1 20 LYS CA 1 1 20 LYS C -80.0 -49.899998 A 18 . C A 19 . N A 19 . CA A 19 . C 1 1 17 . 1 1 20 LYS N 1 1 20 LYS CA 1 1 20 LYS C 1 1 21 TYR N -70.0 -19.78 A 19 . N A 19 . CA A 19 . C A 20 . N 1 1 18 . 1 1 20 LYS C 1 1 21 TYR N 1 1 21 TYR CA 1 1 21 TYR C -80.0 -41.94 A 19 . C A 20 . N A 20 . CA A 20 . C 1 1 19 . 1 1 21 TYR N 1 1 21 TYR CA 1 1 21 TYR C 1 1 22 GLN N -70.0 -23.8 A 20 . N A 20 . CA A 20 . C A 21 . N 1 1 20 . 1 1 21 TYR C 1 1 22 GLN N 1 1 22 GLN CA 1 1 22 GLN C -80.0 -43.26 A 20 . C A 21 . N A 21 . CA A 21 . C 1 1 21 . 1 1 22 GLN N 1 1 22 GLN CA 1 1 22 GLN C 1 1 23 ALA N -70.0 -17.78 A 21 . N A 21 . CA A 21 . C A 22 . N 1 1 22 . 1 1 22 GLN C 1 1 23 ALA N 1 1 23 ALA CA 1 1 23 ALA C -89.99999 -39.96 A 21 . C A 22 . N A 22 . CA A 22 . C 1 1 23 . 1 1 23 ALA N 1 1 23 ALA CA 1 1 23 ALA C 1 1 24 ASP N -60.0 -12.6 A 22 . N A 22 . CA A 22 . C A 23 . N 1 1 24 . 1 1 23 ALA C 1 1 24 ASP N 1 1 24 ASP CA 1 1 24 ASP C -89.99999 -39.7 A 22 . C A 23 . N A 23 . CA A 23 . C 1 1 25 . 1 1 24 ASP N 1 1 24 ASP CA 1 1 24 ASP C 1 1 25 LEU N -70.0 -16.939999 A 23 . N A 23 . CA A 23 . C A 24 . N 1 1 26 . 1 1 24 ASP C 1 1 25 LEU N 1 1 25 LEU CA 1 1 25 LEU C -89.99999 -39.32 A 23 . C A 24 . N A 24 . CA A 24 . C 1 1 27 . 1 1 25 LEU N 1 1 25 LEU CA 1 1 25 LEU C 1 1 26 ALA N -70.0 -11.48 A 24 . N A 24 . CA A 24 . C A 25 . N 1 1 28 . 1 1 25 LEU C 1 1 26 ALA N 1 1 26 ALA CA 1 1 26 ALA C -89.99999 -38.76 A 24 . C A 25 . N A 25 . CA A 25 . C 1 1 29 . 1 1 26 ALA N 1 1 26 ALA CA 1 1 26 ALA C 1 1 27 LYS N -60.0 -17.62 A 25 . N A 25 . CA A 25 . C A 26 . N 1 1 30 . 1 1 26 ALA C 1 1 27 LYS N 1 1 27 LYS CA 1 1 27 LYS C -80.0 -49.92 A 25 . C A 26 . N A 26 . CA A 26 . C 1 1 31 . 1 1 27 LYS N 1 1 27 LYS CA 1 1 27 LYS C 1 1 28 TYR N -70.0 -19.82 A 26 . N A 26 . CA A 26 . C A 27 . N 1 1 32 . 1 1 27 LYS C 1 1 28 TYR N 1 1 28 TYR CA 1 1 28 TYR C -80.0 -48.12 A 26 . C A 27 . N A 27 . CA A 27 . C 1 1 33 . 1 1 28 TYR N 1 1 28 TYR CA 1 1 28 TYR C 1 1 29 GLN N -70.0 -20.04 A 27 . N A 27 . CA A 27 . C A 28 . N 1 1 34 . 1 1 28 TYR C 1 1 29 GLN N 1 1 29 GLN CA 1 1 29 GLN C -80.0 -30.440002 A 27 . C A 28 . N A 28 . CA A 28 . C 1 1 35 . 1 1 29 GLN N 1 1 29 GLN CA 1 1 29 GLN C 1 1 30 LYS N -60.0 -29.479998 A 28 . N A 28 . CA A 28 . C A 29 . N 1 1 36 . 1 1 29 GLN C 1 1 30 LYS N 1 1 30 LYS CA 1 1 30 LYS C -89.99999 -40.179996 A 28 . C A 29 . N A 29 . CA A 29 . C 1 1 37 . 1 1 30 LYS N 1 1 30 LYS CA 1 1 30 LYS C 1 1 31 ASP N -70.0 -14.3 A 29 . N A 29 . CA A 29 . C A 30 . N 1 1 38 . 1 1 30 LYS C 1 1 31 ASP N 1 1 31 ASP CA 1 1 31 ASP C -89.99999 -39.94 A 29 . C A 30 . N A 30 . CA A 30 . C 1 1 39 . 1 1 31 ASP N 1 1 31 ASP CA 1 1 31 ASP C 1 1 32 LEU N -60.0 -20.659998 A 30 . N A 30 . CA A 30 . C A 31 . N 1 1 40 . 1 1 31 ASP C 1 1 32 LEU N 1 1 32 LEU CA 1 1 32 LEU C -89.99999 -39.94 A 30 . C A 31 . N A 31 . CA A 31 . C 1 1 41 . 1 1 32 LEU N 1 1 32 LEU CA 1 1 32 LEU C 1 1 33 ALA N -70.0 -19.6 A 31 . N A 31 . CA A 31 . C A 32 . N 1 1 42 . 1 1 32 LEU C 1 1 33 ALA N 1 1 33 ALA CA 1 1 33 ALA C -89.99999 -39.36 A 31 . C A 32 . N A 32 . CA A 32 . C 1 1 43 . 1 1 33 ALA N 1 1 33 ALA CA 1 1 33 ALA C 1 1 34 ASP N -70.0 -13.1 A 32 . N A 32 . CA A 32 . C A 33 . N 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 ACE C C -13.514 -3.065 -4.218 1.00 . A A . 0 ACE C 1 1 1 2 1 1 1 ACE CH3 C -14.164 -1.847 -3.626 1.00 . A A . 0 ACE CH3 1 1 1 3 1 1 1 ACE H1 H -15.059 -2.157 -3.096 1.00 . A A . 0 ACE H1 1 1 1 4 1 1 1 ACE H2 H -14.432 -1.167 -4.410 1.00 . A A . 0 ACE H2 1 1 1 5 1 1 1 ACE H3 H -13.459 -1.368 -2.955 1.00 . A A . 0 ACE H3 1 1 1 6 1 1 1 ACE O O -13.308 -3.145 -5.429 1.00 . A A . 0 ACE O 1 1 1 7 1 1 2 PRO C C -10.810 -3.424 -2.961 1.00 . A A . 1 PRO C 1 1 1 8 1 1 2 PRO CA C -12.131 -3.888 -2.354 1.00 . A A . 1 PRO CA 1 1 1 9 1 1 2 PRO CB C -11.987 -5.295 -1.753 1.00 . A A . 1 PRO CB 1 1 1 10 1 1 2 PRO CD C -13.767 -5.384 -3.345 1.00 . A A . 1 PRO CD 1 1 1 11 1 1 2 PRO CG C -12.694 -6.212 -2.694 1.00 . A A . 1 PRO CG 1 1 1 12 1 1 2 PRO HA H -12.440 -3.193 -1.586 1.00 . A A . 1 PRO HA 1 1 1 13 1 1 2 PRO HB2 H -10.938 -5.555 -1.675 1.00 . A A . 1 PRO HB2 1 1 1 14 1 1 2 PRO HB3 H -12.453 -5.335 -0.781 1.00 . A A . 1 PRO HB3 1 1 1 15 1 1 2 PRO HD2 H -13.972 -5.738 -4.345 1.00 . A A . 1 PRO HD2 1 1 1 16 1 1 2 PRO HD3 H -14.667 -5.387 -2.747 1.00 . A A . 1 PRO HD3 1 1 1 17 1 1 2 PRO HG2 H -11.997 -6.581 -3.435 1.00 . A A . 1 PRO HG2 1 1 1 18 1 1 2 PRO HG3 H -13.137 -7.032 -2.148 1.00 . A A . 1 PRO HG3 1 1 1 19 1 1 2 PRO N N -13.168 -4.047 -3.375 1.00 . A A . 1 PRO N 1 1 1 20 1 1 2 PRO O O -10.400 -3.916 -4.014 1.00 . A A . 1 PRO O 1 1 1 21 1 1 3 PRO C C -7.794 -2.959 -3.004 1.00 . A A . 2 PRO C 1 1 1 22 1 1 3 PRO CA C -8.877 -1.900 -2.821 1.00 . A A . 2 PRO CA 1 1 1 23 1 1 3 PRO CB C -8.461 -0.897 -1.740 1.00 . A A . 2 PRO CB 1 1 1 24 1 1 3 PRO CD C -10.544 -1.833 -1.050 1.00 . A A . 2 PRO CD 1 1 1 25 1 1 3 PRO CG C -9.262 -1.250 -0.535 1.00 . A A . 2 PRO CG 1 1 1 26 1 1 3 PRO HA H -9.027 -1.381 -3.757 1.00 . A A . 2 PRO HA 1 1 1 27 1 1 3 PRO HB2 H -7.399 -0.991 -1.541 1.00 . A A . 2 PRO HB2 1 1 1 28 1 1 3 PRO HB3 H -8.696 0.107 -2.059 1.00 . A A . 2 PRO HB3 1 1 1 29 1 1 3 PRO HD2 H -10.931 -2.568 -0.359 1.00 . A A . 2 PRO HD2 1 1 1 30 1 1 3 PRO HD3 H -11.273 -1.056 -1.224 1.00 . A A . 2 PRO HD3 1 1 1 31 1 1 3 PRO HG2 H -8.725 -1.978 0.059 1.00 . A A . 2 PRO HG2 1 1 1 32 1 1 3 PRO HG3 H -9.464 -0.364 0.046 1.00 . A A . 2 PRO HG3 1 1 1 33 1 1 3 PRO N N -10.135 -2.461 -2.316 1.00 . A A . 2 PRO N 1 1 1 34 1 1 3 PRO O O -7.716 -3.924 -2.236 1.00 . A A . 2 PRO O 1 1 1 35 1 1 4 THR C C -4.763 -3.512 -3.274 1.00 . A A . 3 THR C 1 1 1 36 1 1 4 THR CA C -5.882 -3.695 -4.290 1.00 . A A . 3 THR CA 1 1 1 37 1 1 4 THR CB C -5.333 -3.498 -5.711 1.00 . A A . 3 THR CB 1 1 1 38 1 1 4 THR CG2 C -4.192 -4.460 -5.993 1.00 . A A . 3 THR CG2 1 1 1 39 1 1 4 THR H H -7.097 -2.008 -4.619 1.00 . A A . 3 THR H 1 1 1 40 1 1 4 THR HA H -6.263 -4.702 -4.209 1.00 . A A . 3 THR HA 1 1 1 41 1 1 4 THR HB H -4.966 -2.488 -5.800 1.00 . A A . 3 THR HB 1 1 1 42 1 1 4 THR HG1 H -6.978 -4.396 -6.344 1.00 . A A . 3 THR HG1 1 1 1 43 1 1 4 THR HG21 H -3.382 -4.264 -5.308 1.00 . A A . 3 THR HG21 1 1 1 44 1 1 4 THR HG22 H -3.849 -4.326 -7.008 1.00 . A A . 3 THR HG22 1 1 1 45 1 1 4 THR HG23 H -4.538 -5.474 -5.859 1.00 . A A . 3 THR HG23 1 1 1 46 1 1 4 THR N N -6.971 -2.781 -4.025 1.00 . A A . 3 THR N 1 1 1 47 1 1 4 THR O O -4.271 -2.401 -3.062 1.00 . A A . 3 THR O 1 1 1 48 1 1 4 THR OG1 O -6.386 -3.703 -6.664 1.00 . A A . 3 THR OG1 1 1 1 49 1 1 5 LYS C C -1.973 -4.473 -2.302 1.00 . A A . 4 LYS C 1 1 1 50 1 1 5 LYS CA C -3.338 -4.590 -1.635 1.00 . A A . 4 LYS CA 1 1 1 51 1 1 5 LYS CB C -3.413 -5.861 -0.790 1.00 . A A . 4 LYS CB 1 1 1 52 1 1 5 LYS CD C -4.771 -7.272 0.787 1.00 . A A . 4 LYS CD 1 1 1 53 1 1 5 LYS CE C -6.113 -7.428 1.480 1.00 . A A . 4 LYS CE 1 1 1 54 1 1 5 LYS CG C -4.757 -6.049 -0.110 1.00 . A A . 4 LYS CG 1 1 1 55 1 1 5 LYS H H -4.804 -5.464 -2.875 1.00 . A A . 4 LYS H 1 1 1 56 1 1 5 LYS HA H -3.502 -3.732 -1.003 1.00 . A A . 4 LYS HA 1 1 1 57 1 1 5 LYS HB2 H -3.234 -6.715 -1.427 1.00 . A A . 4 LYS HB2 1 1 1 58 1 1 5 LYS HB3 H -2.651 -5.820 -0.027 1.00 . A A . 4 LYS HB3 1 1 1 59 1 1 5 LYS HD2 H -4.578 -8.150 0.189 1.00 . A A . 4 LYS HD2 1 1 1 60 1 1 5 LYS HD3 H -4.000 -7.163 1.535 1.00 . A A . 4 LYS HD3 1 1 1 61 1 1 5 LYS HE2 H -6.351 -6.506 1.987 1.00 . A A . 4 LYS HE2 1 1 1 62 1 1 5 LYS HE3 H -6.867 -7.630 0.732 1.00 . A A . 4 LYS HE3 1 1 1 63 1 1 5 LYS HG2 H -4.969 -5.178 0.491 1.00 . A A . 4 LYS HG2 1 1 1 64 1 1 5 LYS HG3 H -5.518 -6.159 -0.867 1.00 . A A . 4 LYS HG3 1 1 1 65 1 1 5 LYS HZ1 H -7.028 -8.591 2.952 1.00 . A A . 4 LYS HZ1 1 1 1 66 1 1 5 LYS HZ2 H -5.367 -8.373 3.180 1.00 . A A . 4 LYS HZ2 1 1 1 67 1 1 5 LYS HZ3 H -5.921 -9.440 1.994 1.00 . A A . 4 LYS HZ3 1 1 1 68 1 1 5 LYS N N -4.380 -4.609 -2.644 1.00 . A A . 4 LYS N 1 1 1 69 1 1 5 LYS NZ N -6.106 -8.535 2.469 1.00 . A A . 4 LYS NZ 1 1 1 70 1 1 5 LYS O O -1.686 -5.206 -3.253 1.00 . A A . 4 LYS O 1 1 1 71 1 1 6 PRO C C 1.035 -4.541 -2.572 1.00 . A A . 5 PRO C 1 1 1 72 1 1 6 PRO CA C 0.187 -3.284 -2.420 1.00 . A A . 5 PRO CA 1 1 1 73 1 1 6 PRO CB C 0.855 -2.305 -1.450 1.00 . A A . 5 PRO CB 1 1 1 74 1 1 6 PRO CD C -1.368 -2.685 -0.652 1.00 . A A . 5 PRO CD 1 1 1 75 1 1 6 PRO CG C 0.023 -2.322 -0.213 1.00 . A A . 5 PRO CG 1 1 1 76 1 1 6 PRO HA H 0.085 -2.813 -3.387 1.00 . A A . 5 PRO HA 1 1 1 77 1 1 6 PRO HB2 H 1.865 -2.633 -1.240 1.00 . A A . 5 PRO HB2 1 1 1 78 1 1 6 PRO HB3 H 0.864 -1.311 -1.876 1.00 . A A . 5 PRO HB3 1 1 1 79 1 1 6 PRO HD2 H -1.884 -3.226 0.131 1.00 . A A . 5 PRO HD2 1 1 1 80 1 1 6 PRO HD3 H -1.921 -1.799 -0.936 1.00 . A A . 5 PRO HD3 1 1 1 81 1 1 6 PRO HG2 H 0.410 -3.065 0.477 1.00 . A A . 5 PRO HG2 1 1 1 82 1 1 6 PRO HG3 H 0.026 -1.343 0.242 1.00 . A A . 5 PRO HG3 1 1 1 83 1 1 6 PRO N N -1.124 -3.548 -1.821 1.00 . A A . 5 PRO N 1 1 1 84 1 1 6 PRO O O 1.398 -5.193 -1.591 1.00 . A A . 5 PRO O 1 1 1 85 1 1 7 THR C C 3.623 -5.725 -3.961 1.00 . A A . 6 THR C 1 1 1 86 1 1 7 THR CA C 2.135 -6.035 -4.142 1.00 . A A . 6 THR CA 1 1 1 87 1 1 7 THR CB C 1.857 -6.482 -5.587 1.00 . A A . 6 THR CB 1 1 1 88 1 1 7 THR CG2 C 2.453 -7.850 -5.866 1.00 . A A . 6 THR CG2 1 1 1 89 1 1 7 THR H H 0.991 -4.317 -4.547 1.00 . A A . 6 THR H 1 1 1 90 1 1 7 THR HA H 1.857 -6.834 -3.477 1.00 . A A . 6 THR HA 1 1 1 91 1 1 7 THR HB H 2.297 -5.764 -6.260 1.00 . A A . 6 THR HB 1 1 1 92 1 1 7 THR HG1 H 0.144 -7.446 -5.815 1.00 . A A . 6 THR HG1 1 1 1 93 1 1 7 THR HG21 H 2.223 -8.143 -6.880 1.00 . A A . 6 THR HG21 1 1 1 94 1 1 7 THR HG22 H 2.036 -8.569 -5.179 1.00 . A A . 6 THR HG22 1 1 1 95 1 1 7 THR HG23 H 3.524 -7.807 -5.737 1.00 . A A . 6 THR HG23 1 1 1 96 1 1 7 THR N N 1.330 -4.874 -3.816 1.00 . A A . 6 THR N 1 1 1 97 1 1 7 THR O O 4.462 -6.627 -3.902 1.00 . A A . 6 THR O 1 1 1 98 1 1 7 THR OG1 O 0.438 -6.527 -5.808 1.00 . A A . 6 THR OG1 1 1 1 99 1 1 8 LYS C C 5.847 -4.523 -2.319 1.00 . A A . 7 LYS C 1 1 1 100 1 1 8 LYS CA C 5.296 -3.978 -3.636 1.00 . A A . 7 LYS CA 1 1 1 101 1 1 8 LYS CB C 5.349 -2.444 -3.621 1.00 . A A . 7 LYS CB 1 1 1 102 1 1 8 LYS CD C 5.328 -0.277 -4.907 1.00 . A A . 7 LYS CD 1 1 1 103 1 1 8 LYS CE C 4.012 0.303 -4.414 1.00 . A A . 7 LYS CE 1 1 1 104 1 1 8 LYS CG C 5.277 -1.797 -5.000 1.00 . A A . 7 LYS CG 1 1 1 105 1 1 8 LYS H H 3.218 -3.774 -3.959 1.00 . A A . 7 LYS H 1 1 1 106 1 1 8 LYS HA H 5.907 -4.341 -4.444 1.00 . A A . 7 LYS HA 1 1 1 107 1 1 8 LYS HB2 H 4.522 -2.077 -3.033 1.00 . A A . 7 LYS HB2 1 1 1 108 1 1 8 LYS HB3 H 6.270 -2.138 -3.152 1.00 . A A . 7 LYS HB3 1 1 1 109 1 1 8 LYS HD2 H 6.111 0.005 -4.219 1.00 . A A . 7 LYS HD2 1 1 1 110 1 1 8 LYS HD3 H 5.545 0.128 -5.886 1.00 . A A . 7 LYS HD3 1 1 1 111 1 1 8 LYS HE2 H 3.701 -0.241 -3.535 1.00 . A A . 7 LYS HE2 1 1 1 112 1 1 8 LYS HE3 H 4.162 1.342 -4.158 1.00 . A A . 7 LYS HE3 1 1 1 113 1 1 8 LYS HG2 H 6.115 -2.136 -5.588 1.00 . A A . 7 LYS HG2 1 1 1 114 1 1 8 LYS HG3 H 4.355 -2.089 -5.482 1.00 . A A . 7 LYS HG3 1 1 1 115 1 1 8 LYS HZ1 H 3.194 0.786 -6.272 1.00 . A A . 7 LYS HZ1 1 1 1 116 1 1 8 LYS HZ2 H 2.038 0.552 -5.058 1.00 . A A . 7 LYS HZ2 1 1 1 117 1 1 8 LYS HZ3 H 2.824 -0.778 -5.749 1.00 . A A . 7 LYS HZ3 1 1 1 118 1 1 8 LYS N N 3.932 -4.436 -3.867 1.00 . A A . 7 LYS N 1 1 1 119 1 1 8 LYS NZ N 2.944 0.207 -5.444 1.00 . A A . 7 LYS NZ 1 1 1 120 1 1 8 LYS O O 5.118 -4.636 -1.332 1.00 . A A . 7 LYS O 1 1 1 121 1 1 9 PRO C C 7.707 -4.318 0.047 1.00 . A A . 8 PRO C 1 1 1 122 1 1 9 PRO CA C 7.821 -5.338 -1.083 1.00 . A A . 8 PRO CA 1 1 1 123 1 1 9 PRO CB C 9.281 -5.472 -1.508 1.00 . A A . 8 PRO CB 1 1 1 124 1 1 9 PRO CD C 8.015 -4.967 -3.487 1.00 . A A . 8 PRO CD 1 1 1 125 1 1 9 PRO CG C 9.257 -5.659 -2.983 1.00 . A A . 8 PRO CG 1 1 1 126 1 1 9 PRO HA H 7.453 -6.292 -0.741 1.00 . A A . 8 PRO HA 1 1 1 127 1 1 9 PRO HB2 H 9.820 -4.573 -1.240 1.00 . A A . 8 PRO HB2 1 1 1 128 1 1 9 PRO HB3 H 9.727 -6.330 -1.031 1.00 . A A . 8 PRO HB3 1 1 1 129 1 1 9 PRO HD2 H 8.250 -3.972 -3.842 1.00 . A A . 8 PRO HD2 1 1 1 130 1 1 9 PRO HD3 H 7.551 -5.547 -4.274 1.00 . A A . 8 PRO HD3 1 1 1 131 1 1 9 PRO HG2 H 10.144 -5.213 -3.419 1.00 . A A . 8 PRO HG2 1 1 1 132 1 1 9 PRO HG3 H 9.214 -6.713 -3.218 1.00 . A A . 8 PRO HG3 1 1 1 133 1 1 9 PRO N N 7.136 -4.901 -2.303 1.00 . A A . 8 PRO N 1 1 1 134 1 1 9 PRO O O 8.111 -3.161 -0.097 1.00 . A A . 8 PRO O 1 1 1 135 1 1 10 GLY C C 7.823 -4.394 3.487 1.00 . A A . 9 GLY C 1 1 1 136 1 1 10 GLY CA C 7.013 -3.893 2.314 1.00 . A A . 9 GLY CA 1 1 1 137 1 1 10 GLY H H 6.822 -5.676 1.199 1.00 . A A . 9 GLY H 1 1 1 138 1 1 10 GLY HA2 H 7.352 -2.903 2.052 1.00 . A A . 9 GLY HA2 1 1 1 139 1 1 10 GLY HA3 H 5.974 -3.848 2.600 1.00 . A A . 9 GLY HA3 1 1 1 140 1 1 10 GLY N N 7.150 -4.755 1.160 1.00 . A A . 9 GLY N 1 1 1 141 1 1 10 GLY O O 7.860 -3.766 4.548 1.00 . A A . 9 GLY O 1 1 1 142 1 1 11 ASP C C 10.773 -5.892 4.028 1.00 . A A . 10 ASP C 1 1 1 143 1 1 11 ASP CA C 9.302 -6.127 4.327 1.00 . A A . 10 ASP CA 1 1 1 144 1 1 11 ASP CB C 9.031 -7.633 4.446 1.00 . A A . 10 ASP CB 1 1 1 145 1 1 11 ASP CG C 7.612 -7.952 4.869 1.00 . A A . 10 ASP CG 1 1 1 146 1 1 11 ASP H H 8.403 -5.972 2.420 1.00 . A A . 10 ASP H 1 1 1 147 1 1 11 ASP HA H 9.056 -5.651 5.262 1.00 . A A . 10 ASP HA 1 1 1 148 1 1 11 ASP HB2 H 9.210 -8.098 3.490 1.00 . A A . 10 ASP HB2 1 1 1 149 1 1 11 ASP HB3 H 9.707 -8.054 5.174 1.00 . A A . 10 ASP HB3 1 1 1 150 1 1 11 ASP N N 8.476 -5.528 3.290 1.00 . A A . 10 ASP N 1 1 1 151 1 1 11 ASP O O 11.481 -5.235 4.794 1.00 . A A . 10 ASP O 1 1 1 152 1 1 11 ASP OD1 O 7.326 -7.924 6.086 1.00 . A A . 10 ASP OD1 1 1 1 153 1 1 11 ASP OD2 O 6.767 -8.217 3.985 1.00 . A A . 10 ASP OD2 1 1 1 154 1 1 12 ASN C C 12.720 -5.434 1.238 1.00 . A A . 11 ASN C 1 1 1 155 1 1 12 ASN CA C 12.614 -6.291 2.493 1.00 . A A . 11 ASN CA 1 1 1 156 1 1 12 ASN CB C 13.232 -7.670 2.250 1.00 . A A . 11 ASN CB 1 1 1 157 1 1 12 ASN CG C 14.664 -7.595 1.751 1.00 . A A . 11 ASN CG 1 1 1 158 1 1 12 ASN H H 10.604 -6.912 2.325 1.00 . A A . 11 ASN H 1 1 1 159 1 1 12 ASN HA H 13.149 -5.805 3.294 1.00 . A A . 11 ASN HA 1 1 1 160 1 1 12 ASN HB2 H 13.222 -8.226 3.174 1.00 . A A . 11 ASN HB2 1 1 1 161 1 1 12 ASN HB3 H 12.641 -8.195 1.514 1.00 . A A . 11 ASN HB3 1 1 1 162 1 1 12 ASN HD21 H 15.348 -7.493 3.612 1.00 . A A . 11 ASN HD21 1 1 1 163 1 1 12 ASN HD22 H 16.546 -7.446 2.366 1.00 . A A . 11 ASN HD22 1 1 1 164 1 1 12 ASN N N 11.225 -6.422 2.902 1.00 . A A . 11 ASN N 1 1 1 165 1 1 12 ASN ND2 N 15.614 -7.506 2.668 1.00 . A A . 11 ASN ND2 1 1 1 166 1 1 12 ASN O O 12.422 -5.892 0.133 1.00 . A A . 11 ASN O 1 1 1 167 1 1 12 ASN OD1 O 14.915 -7.618 0.547 1.00 . A A . 11 ASN OD1 1 1 1 168 1 1 13 ALA C C 14.054 -2.023 0.825 1.00 . A A . 12 ALA C 1 1 1 169 1 1 13 ALA CA C 13.290 -3.243 0.334 1.00 . A A . 12 ALA CA 1 1 1 170 1 1 13 ALA CB C 11.938 -2.833 -0.229 1.00 . A A . 12 ALA CB 1 1 1 171 1 1 13 ALA H H 13.335 -3.888 2.334 1.00 . A A . 12 ALA H 1 1 1 172 1 1 13 ALA HA H 13.857 -3.722 -0.450 1.00 . A A . 12 ALA HA 1 1 1 173 1 1 13 ALA HB1 H 11.411 -3.711 -0.574 1.00 . A A . 12 ALA HB1 1 1 1 174 1 1 13 ALA HB2 H 12.082 -2.153 -1.053 1.00 . A A . 12 ALA HB2 1 1 1 175 1 1 13 ALA HB3 H 11.358 -2.346 0.543 1.00 . A A . 12 ALA HB3 1 1 1 176 1 1 13 ALA N N 13.127 -4.187 1.426 1.00 . A A . 12 ALA N 1 1 1 177 1 1 13 ALA O O 14.223 -1.838 2.032 1.00 . A A . 12 ALA O 1 1 1 178 1 1 14 THR C C 14.303 1.011 0.912 1.00 . A A . 13 THR C 1 1 1 179 1 1 14 THR CA C 15.234 0.010 0.239 1.00 . A A . 13 THR CA 1 1 1 180 1 1 14 THR CB C 15.866 0.647 -1.010 1.00 . A A . 13 THR CB 1 1 1 181 1 1 14 THR CG2 C 16.978 -0.234 -1.550 1.00 . A A . 13 THR CG2 1 1 1 182 1 1 14 THR H H 14.384 -1.427 -1.052 1.00 . A A . 13 THR H 1 1 1 183 1 1 14 THR HA H 16.026 -0.245 0.926 1.00 . A A . 13 THR HA 1 1 1 184 1 1 14 THR HB H 16.285 1.600 -0.734 1.00 . A A . 13 THR HB 1 1 1 185 1 1 14 THR HG1 H 15.058 0.279 -2.777 1.00 . A A . 13 THR HG1 1 1 1 186 1 1 14 THR HG21 H 16.577 -1.207 -1.795 1.00 . A A . 13 THR HG21 1 1 1 187 1 1 14 THR HG22 H 17.745 -0.340 -0.799 1.00 . A A . 13 THR HG22 1 1 1 188 1 1 14 THR HG23 H 17.397 0.218 -2.434 1.00 . A A . 13 THR HG23 1 1 1 189 1 1 14 THR N N 14.520 -1.206 -0.105 1.00 . A A . 13 THR N 1 1 1 190 1 1 14 THR O O 13.099 1.016 0.653 1.00 . A A . 13 THR O 1 1 1 191 1 1 14 THR OG1 O 14.868 0.849 -2.020 1.00 . A A . 13 THR OG1 1 1 1 192 1 1 15 PRO C C 13.251 3.757 1.574 1.00 . A A . 14 PRO C 1 1 1 193 1 1 15 PRO CA C 14.055 2.866 2.516 1.00 . A A . 14 PRO CA 1 1 1 194 1 1 15 PRO CB C 15.107 3.685 3.281 1.00 . A A . 14 PRO CB 1 1 1 195 1 1 15 PRO CD C 16.265 1.926 2.158 1.00 . A A . 14 PRO CD 1 1 1 196 1 1 15 PRO CG C 16.418 3.327 2.683 1.00 . A A . 14 PRO CG 1 1 1 197 1 1 15 PRO HA H 13.383 2.397 3.217 1.00 . A A . 14 PRO HA 1 1 1 198 1 1 15 PRO HB2 H 14.908 4.740 3.159 1.00 . A A . 14 PRO HB2 1 1 1 199 1 1 15 PRO HB3 H 15.098 3.421 4.325 1.00 . A A . 14 PRO HB3 1 1 1 200 1 1 15 PRO HD2 H 16.892 1.773 1.294 1.00 . A A . 14 PRO HD2 1 1 1 201 1 1 15 PRO HD3 H 16.494 1.200 2.924 1.00 . A A . 14 PRO HD3 1 1 1 202 1 1 15 PRO HG2 H 16.649 4.019 1.879 1.00 . A A . 14 PRO HG2 1 1 1 203 1 1 15 PRO HG3 H 17.187 3.354 3.442 1.00 . A A . 14 PRO HG3 1 1 1 204 1 1 15 PRO N N 14.844 1.867 1.792 1.00 . A A . 14 PRO N 1 1 1 205 1 1 15 PRO O O 12.116 4.130 1.877 1.00 . A A . 14 PRO O 1 1 1 206 1 1 16 GLU C C 11.973 4.128 -1.164 1.00 . A A . 15 GLU C 1 1 1 207 1 1 16 GLU CA C 13.165 4.883 -0.583 1.00 . A A . 15 GLU CA 1 1 1 208 1 1 16 GLU CB C 14.133 5.260 -1.705 1.00 . A A . 15 GLU CB 1 1 1 209 1 1 16 GLU CD C 14.425 6.377 -3.951 1.00 . A A . 15 GLU CD 1 1 1 210 1 1 16 GLU CG C 13.502 6.133 -2.779 1.00 . A A . 15 GLU CG 1 1 1 211 1 1 16 GLU H H 14.749 3.753 0.245 1.00 . A A . 15 GLU H 1 1 1 212 1 1 16 GLU HA H 12.812 5.781 -0.104 1.00 . A A . 15 GLU HA 1 1 1 213 1 1 16 GLU HB2 H 14.969 5.796 -1.275 1.00 . A A . 15 GLU HB2 1 1 1 214 1 1 16 GLU HB3 H 14.498 4.357 -2.171 1.00 . A A . 15 GLU HB3 1 1 1 215 1 1 16 GLU HG2 H 12.606 5.651 -3.141 1.00 . A A . 15 GLU HG2 1 1 1 216 1 1 16 GLU HG3 H 13.242 7.085 -2.341 1.00 . A A . 15 GLU HG3 1 1 1 217 1 1 16 GLU N N 13.839 4.076 0.424 1.00 . A A . 15 GLU N 1 1 1 218 1 1 16 GLU O O 10.886 4.684 -1.336 1.00 . A A . 15 GLU O 1 1 1 219 1 1 16 GLU OE1 O 14.293 5.673 -4.975 1.00 . A A . 15 GLU OE1 1 1 1 220 1 1 16 GLU OE2 O 15.283 7.280 -3.859 1.00 . A A . 15 GLU OE2 1 1 1 221 1 1 17 LYS C C 10.082 1.675 -1.062 1.00 . A A . 16 LYS C 1 1 1 222 1 1 17 LYS CA C 11.169 2.024 -2.073 1.00 . A A . 16 LYS CA 1 1 1 223 1 1 17 LYS CB C 11.805 0.752 -2.632 1.00 . A A . 16 LYS CB 1 1 1 224 1 1 17 LYS CD C 11.521 -1.320 -4.009 1.00 . A A . 16 LYS CD 1 1 1 225 1 1 17 LYS CE C 10.722 -2.006 -5.101 1.00 . A A . 16 LYS CE 1 1 1 226 1 1 17 LYS CG C 10.956 0.048 -3.673 1.00 . A A . 16 LYS CG 1 1 1 227 1 1 17 LYS H H 13.052 2.452 -1.225 1.00 . A A . 16 LYS H 1 1 1 228 1 1 17 LYS HA H 10.730 2.588 -2.880 1.00 . A A . 16 LYS HA 1 1 1 229 1 1 17 LYS HB2 H 12.755 1.004 -3.085 1.00 . A A . 16 LYS HB2 1 1 1 230 1 1 17 LYS HB3 H 11.978 0.067 -1.815 1.00 . A A . 16 LYS HB3 1 1 1 231 1 1 17 LYS HD2 H 12.540 -1.205 -4.345 1.00 . A A . 16 LYS HD2 1 1 1 232 1 1 17 LYS HD3 H 11.500 -1.934 -3.121 1.00 . A A . 16 LYS HD3 1 1 1 233 1 1 17 LYS HE2 H 10.860 -1.465 -6.025 1.00 . A A . 16 LYS HE2 1 1 1 234 1 1 17 LYS HE3 H 11.090 -3.014 -5.217 1.00 . A A . 16 LYS HE3 1 1 1 235 1 1 17 LYS HG2 H 9.956 -0.068 -3.290 1.00 . A A . 16 LYS HG2 1 1 1 236 1 1 17 LYS HG3 H 10.934 0.649 -4.570 1.00 . A A . 16 LYS HG3 1 1 1 237 1 1 17 LYS HZ1 H 9.126 -2.402 -3.817 1.00 . A A . 16 LYS HZ1 1 1 1 238 1 1 17 LYS HZ2 H 8.783 -2.691 -5.448 1.00 . A A . 16 LYS HZ2 1 1 1 239 1 1 17 LYS HZ3 H 8.855 -1.104 -4.867 1.00 . A A . 16 LYS HZ3 1 1 1 240 1 1 17 LYS N N 12.186 2.852 -1.448 1.00 . A A . 16 LYS N 1 1 1 241 1 1 17 LYS NZ N 9.270 -2.054 -4.786 1.00 . A A . 16 LYS NZ 1 1 1 242 1 1 17 LYS O O 8.907 1.541 -1.411 1.00 . A A . 16 LYS O 1 1 1 243 1 1 18 LEU C C 8.639 2.514 1.450 1.00 . A A . 17 LEU C 1 1 1 244 1 1 18 LEU CA C 9.542 1.305 1.278 1.00 . A A . 17 LEU CA 1 1 1 245 1 1 18 LEU CB C 10.275 1.012 2.587 1.00 . A A . 17 LEU CB 1 1 1 246 1 1 18 LEU CD1 C 11.661 -0.515 3.996 1.00 . A A . 17 LEU CD1 1 1 1 247 1 1 18 LEU CD2 C 9.909 -1.461 2.485 1.00 . A A . 17 LEU CD2 1 1 1 248 1 1 18 LEU CG C 10.940 -0.360 2.669 1.00 . A A . 17 LEU CG 1 1 1 249 1 1 18 LEU H H 11.450 1.528 0.394 1.00 . A A . 17 LEU H 1 1 1 250 1 1 18 LEU HA H 8.934 0.454 1.020 1.00 . A A . 17 LEU HA 1 1 1 251 1 1 18 LEU HB2 H 11.038 1.762 2.718 1.00 . A A . 17 LEU HB2 1 1 1 252 1 1 18 LEU HB3 H 9.569 1.096 3.398 1.00 . A A . 17 LEU HB3 1 1 1 253 1 1 18 LEU HD11 H 12.125 -1.489 4.041 1.00 . A A . 17 LEU HD11 1 1 1 254 1 1 18 LEU HD12 H 10.951 -0.416 4.804 1.00 . A A . 17 LEU HD12 1 1 1 255 1 1 18 LEU HD13 H 12.417 0.249 4.086 1.00 . A A . 17 LEU HD13 1 1 1 256 1 1 18 LEU HD21 H 9.115 -1.335 3.207 1.00 . A A . 17 LEU HD21 1 1 1 257 1 1 18 LEU HD22 H 10.378 -2.423 2.630 1.00 . A A . 17 LEU HD22 1 1 1 258 1 1 18 LEU HD23 H 9.499 -1.409 1.488 1.00 . A A . 17 LEU HD23 1 1 1 259 1 1 18 LEU HG H 11.672 -0.448 1.878 1.00 . A A . 17 LEU HG 1 1 1 260 1 1 18 LEU N N 10.485 1.518 0.193 1.00 . A A . 17 LEU N 1 1 1 261 1 1 18 LEU O O 7.466 2.377 1.781 1.00 . A A . 17 LEU O 1 1 1 262 1 1 19 ALA C C 7.332 4.920 0.212 1.00 . A A . 18 ALA C 1 1 1 263 1 1 19 ALA CA C 8.411 4.924 1.286 1.00 . A A . 18 ALA CA 1 1 1 264 1 1 19 ALA CB C 9.308 6.137 1.135 1.00 . A A . 18 ALA CB 1 1 1 265 1 1 19 ALA H H 10.144 3.753 1.005 1.00 . A A . 18 ALA H 1 1 1 266 1 1 19 ALA HA H 7.942 4.968 2.255 1.00 . A A . 18 ALA HA 1 1 1 267 1 1 19 ALA HB1 H 9.768 6.123 0.158 1.00 . A A . 18 ALA HB1 1 1 1 268 1 1 19 ALA HB2 H 10.074 6.112 1.896 1.00 . A A . 18 ALA HB2 1 1 1 269 1 1 19 ALA HB3 H 8.720 7.036 1.243 1.00 . A A . 18 ALA HB3 1 1 1 270 1 1 19 ALA N N 9.189 3.701 1.220 1.00 . A A . 18 ALA N 1 1 1 271 1 1 19 ALA O O 6.205 5.357 0.444 1.00 . A A . 18 ALA O 1 1 1 272 1 1 20 LYS C C 5.647 3.258 -1.662 1.00 . A A . 19 LYS C 1 1 1 273 1 1 20 LYS CA C 6.730 4.260 -2.049 1.00 . A A . 19 LYS CA 1 1 1 274 1 1 20 LYS CB C 7.445 3.809 -3.328 1.00 . A A . 19 LYS CB 1 1 1 275 1 1 20 LYS CD C 5.975 5.105 -4.908 1.00 . A A . 19 LYS CD 1 1 1 276 1 1 20 LYS CE C 5.101 5.047 -6.152 1.00 . A A . 19 LYS CE 1 1 1 277 1 1 20 LYS CG C 6.543 3.739 -4.553 1.00 . A A . 19 LYS CG 1 1 1 278 1 1 20 LYS H H 8.614 4.121 -1.097 1.00 . A A . 19 LYS H 1 1 1 279 1 1 20 LYS HA H 6.271 5.221 -2.218 1.00 . A A . 19 LYS HA 1 1 1 280 1 1 20 LYS HB2 H 8.247 4.501 -3.537 1.00 . A A . 19 LYS HB2 1 1 1 281 1 1 20 LYS HB3 H 7.865 2.828 -3.161 1.00 . A A . 19 LYS HB3 1 1 1 282 1 1 20 LYS HD2 H 5.380 5.461 -4.081 1.00 . A A . 19 LYS HD2 1 1 1 283 1 1 20 LYS HD3 H 6.792 5.789 -5.085 1.00 . A A . 19 LYS HD3 1 1 1 284 1 1 20 LYS HE2 H 4.290 4.361 -5.971 1.00 . A A . 19 LYS HE2 1 1 1 285 1 1 20 LYS HE3 H 4.701 6.032 -6.339 1.00 . A A . 19 LYS HE3 1 1 1 286 1 1 20 LYS HG2 H 7.118 3.373 -5.390 1.00 . A A . 19 LYS HG2 1 1 1 287 1 1 20 LYS HG3 H 5.728 3.062 -4.350 1.00 . A A . 19 LYS HG3 1 1 1 288 1 1 20 LYS HZ1 H 6.131 3.596 -7.246 1.00 . A A . 19 LYS HZ1 1 1 1 289 1 1 20 LYS HZ2 H 6.714 5.165 -7.472 1.00 . A A . 19 LYS HZ2 1 1 1 290 1 1 20 LYS HZ3 H 5.266 4.691 -8.202 1.00 . A A . 19 LYS HZ3 1 1 1 291 1 1 20 LYS N N 7.684 4.405 -0.961 1.00 . A A . 19 LYS N 1 1 1 292 1 1 20 LYS NZ N 5.855 4.593 -7.350 1.00 . A A . 19 LYS NZ 1 1 1 293 1 1 20 LYS O O 4.471 3.440 -1.977 1.00 . A A . 19 LYS O 1 1 1 294 1 1 21 TYR C C 4.184 1.888 0.579 1.00 . A A . 20 TYR C 1 1 1 295 1 1 21 TYR CA C 5.119 1.224 -0.427 1.00 . A A . 20 TYR CA 1 1 1 296 1 1 21 TYR CB C 5.882 0.069 0.232 1.00 . A A . 20 TYR CB 1 1 1 297 1 1 21 TYR CD1 C 4.358 -1.945 0.199 1.00 . A A . 20 TYR CD1 1 1 1 298 1 1 21 TYR CD2 C 4.791 -0.899 2.297 1.00 . A A . 20 TYR CD2 1 1 1 299 1 1 21 TYR CE1 C 3.541 -2.869 0.826 1.00 . A A . 20 TYR CE1 1 1 1 300 1 1 21 TYR CE2 C 3.977 -1.819 2.929 1.00 . A A . 20 TYR CE2 1 1 1 301 1 1 21 TYR CG C 4.994 -0.945 0.921 1.00 . A A . 20 TYR CG 1 1 1 302 1 1 21 TYR CZ C 3.354 -2.801 2.190 1.00 . A A . 20 TYR CZ 1 1 1 303 1 1 21 TYR H H 7.016 2.078 -0.809 1.00 . A A . 20 TYR H 1 1 1 304 1 1 21 TYR HA H 4.534 0.840 -1.247 1.00 . A A . 20 TYR HA 1 1 1 305 1 1 21 TYR HB2 H 6.452 -0.451 -0.524 1.00 . A A . 20 TYR HB2 1 1 1 306 1 1 21 TYR HB3 H 6.561 0.473 0.971 1.00 . A A . 20 TYR HB3 1 1 1 307 1 1 21 TYR HD1 H 4.507 -1.998 -0.871 1.00 . A A . 20 TYR HD1 1 1 1 308 1 1 21 TYR HD2 H 5.280 -0.129 2.873 1.00 . A A . 20 TYR HD2 1 1 1 309 1 1 21 TYR HE1 H 3.056 -3.639 0.247 1.00 . A A . 20 TYR HE1 1 1 1 310 1 1 21 TYR HE2 H 3.831 -1.765 3.998 1.00 . A A . 20 TYR HE2 1 1 1 311 1 1 21 TYR HH H 1.982 -3.263 3.462 1.00 . A A . 20 TYR HH 1 1 1 312 1 1 21 TYR N N 6.055 2.204 -0.965 1.00 . A A . 20 TYR N 1 1 1 313 1 1 21 TYR O O 2.980 1.651 0.572 1.00 . A A . 20 TYR O 1 1 1 314 1 1 21 TYR OH O 2.541 -3.718 2.816 1.00 . A A . 20 TYR OH 1 1 1 315 1 1 22 GLN C C 2.982 4.399 1.790 1.00 . A A . 21 GLN C 1 1 1 316 1 1 22 GLN CA C 3.990 3.456 2.436 1.00 . A A . 21 GLN CA 1 1 1 317 1 1 22 GLN CB C 4.939 4.233 3.349 1.00 . A A . 21 GLN CB 1 1 1 318 1 1 22 GLN CD C 7.009 4.079 4.805 1.00 . A A . 21 GLN CD 1 1 1 319 1 1 22 GLN CG C 5.844 3.334 4.180 1.00 . A A . 21 GLN CG 1 1 1 320 1 1 22 GLN H H 5.725 2.876 1.374 1.00 . A A . 21 GLN H 1 1 1 321 1 1 22 GLN HA H 3.452 2.730 3.026 1.00 . A A . 21 GLN HA 1 1 1 322 1 1 22 GLN HB2 H 5.561 4.875 2.743 1.00 . A A . 21 GLN HB2 1 1 1 323 1 1 22 GLN HB3 H 4.357 4.842 4.022 1.00 . A A . 21 GLN HB3 1 1 1 324 1 1 22 GLN HE21 H 8.133 2.440 4.731 1.00 . A A . 21 GLN HE21 1 1 1 325 1 1 22 GLN HE22 H 8.894 3.843 5.394 1.00 . A A . 21 GLN HE22 1 1 1 326 1 1 22 GLN HG2 H 5.258 2.889 4.968 1.00 . A A . 21 GLN HG2 1 1 1 327 1 1 22 GLN HG3 H 6.235 2.555 3.541 1.00 . A A . 21 GLN HG3 1 1 1 328 1 1 22 GLN N N 4.754 2.735 1.426 1.00 . A A . 21 GLN N 1 1 1 329 1 1 22 GLN NE2 N 8.122 3.385 4.998 1.00 . A A . 21 GLN NE2 1 1 1 330 1 1 22 GLN O O 1.887 4.594 2.313 1.00 . A A . 21 GLN O 1 1 1 331 1 1 22 GLN OE1 O 6.912 5.267 5.114 1.00 . A A . 21 GLN OE1 1 1 1 332 1 1 23 ALA C C 1.312 5.055 -0.693 1.00 . A A . 22 ALA C 1 1 1 333 1 1 23 ALA CA C 2.468 5.848 -0.098 1.00 . A A . 22 ALA CA 1 1 1 334 1 1 23 ALA CB C 3.240 6.565 -1.195 1.00 . A A . 22 ALA CB 1 1 1 335 1 1 23 ALA H H 4.257 4.793 0.302 1.00 . A A . 22 ALA H 1 1 1 336 1 1 23 ALA HA H 2.077 6.587 0.584 1.00 . A A . 22 ALA HA 1 1 1 337 1 1 23 ALA HB1 H 3.651 5.836 -1.879 1.00 . A A . 22 ALA HB1 1 1 1 338 1 1 23 ALA HB2 H 4.042 7.136 -0.756 1.00 . A A . 22 ALA HB2 1 1 1 339 1 1 23 ALA HB3 H 2.576 7.227 -1.731 1.00 . A A . 22 ALA HB3 1 1 1 340 1 1 23 ALA N N 3.356 4.968 0.650 1.00 . A A . 22 ALA N 1 1 1 341 1 1 23 ALA O O 0.167 5.510 -0.712 1.00 . A A . 22 ALA O 1 1 1 342 1 1 24 ASP C C -0.304 2.459 -0.640 1.00 . A A . 23 ASP C 1 1 1 343 1 1 24 ASP CA C 0.618 2.973 -1.738 1.00 . A A . 23 ASP CA 1 1 1 344 1 1 24 ASP CB C 1.299 1.797 -2.447 1.00 . A A . 23 ASP CB 1 1 1 345 1 1 24 ASP CG C 0.353 1.001 -3.325 1.00 . A A . 23 ASP CG 1 1 1 346 1 1 24 ASP H H 2.556 3.560 -1.124 1.00 . A A . 23 ASP H 1 1 1 347 1 1 24 ASP HA H 0.038 3.538 -2.453 1.00 . A A . 23 ASP HA 1 1 1 348 1 1 24 ASP HB2 H 2.094 2.177 -3.074 1.00 . A A . 23 ASP HB2 1 1 1 349 1 1 24 ASP HB3 H 1.718 1.133 -1.704 1.00 . A A . 23 ASP HB3 1 1 1 350 1 1 24 ASP N N 1.623 3.858 -1.164 1.00 . A A . 23 ASP N 1 1 1 351 1 1 24 ASP O O -1.524 2.430 -0.794 1.00 . A A . 23 ASP O 1 1 1 352 1 1 24 ASP OD1 O -0.499 0.268 -2.793 1.00 . A A . 23 ASP OD1 1 1 1 353 1 1 24 ASP OD2 O 0.488 1.086 -4.564 1.00 . A A . 23 ASP OD2 1 1 1 354 1 1 25 LEU C C -1.331 2.719 2.183 1.00 . A A . 24 LEU C 1 1 1 355 1 1 25 LEU CA C -0.438 1.603 1.639 1.00 . A A . 24 LEU CA 1 1 1 356 1 1 25 LEU CB C 0.558 1.099 2.702 1.00 . A A . 24 LEU CB 1 1 1 357 1 1 25 LEU CD1 C -0.594 1.195 4.936 1.00 . A A . 24 LEU CD1 1 1 1 358 1 1 25 LEU CD2 C -1.092 -0.680 3.365 1.00 . A A . 24 LEU CD2 1 1 1 359 1 1 25 LEU CG C -0.025 0.284 3.865 1.00 . A A . 24 LEU CG 1 1 1 360 1 1 25 LEU H H 1.280 2.108 0.524 1.00 . A A . 24 LEU H 1 1 1 361 1 1 25 LEU HA H -1.062 0.783 1.321 1.00 . A A . 24 LEU HA 1 1 1 362 1 1 25 LEU HB2 H 1.298 0.488 2.206 1.00 . A A . 24 LEU HB2 1 1 1 363 1 1 25 LEU HB3 H 1.058 1.960 3.120 1.00 . A A . 24 LEU HB3 1 1 1 364 1 1 25 LEU HD11 H 0.199 1.799 5.351 1.00 . A A . 24 LEU HD11 1 1 1 365 1 1 25 LEU HD12 H -1.043 0.600 5.717 1.00 . A A . 24 LEU HD12 1 1 1 366 1 1 25 LEU HD13 H -1.342 1.838 4.497 1.00 . A A . 24 LEU HD13 1 1 1 367 1 1 25 LEU HD21 H -1.457 -1.272 4.190 1.00 . A A . 24 LEU HD21 1 1 1 368 1 1 25 LEU HD22 H -0.668 -1.328 2.613 1.00 . A A . 24 LEU HD22 1 1 1 369 1 1 25 LEU HD23 H -1.908 -0.119 2.937 1.00 . A A . 24 LEU HD23 1 1 1 370 1 1 25 LEU HG H 0.765 -0.300 4.315 1.00 . A A . 24 LEU HG 1 1 1 371 1 1 25 LEU N N 0.299 2.078 0.480 1.00 . A A . 24 LEU N 1 1 1 372 1 1 25 LEU O O -2.433 2.468 2.669 1.00 . A A . 24 LEU O 1 1 1 373 1 1 26 ALA C C -2.897 5.210 1.603 1.00 . A A . 25 ALA C 1 1 1 374 1 1 26 ALA CA C -1.642 5.117 2.462 1.00 . A A . 25 ALA CA 1 1 1 375 1 1 26 ALA CB C -0.811 6.379 2.327 1.00 . A A . 25 ALA CB 1 1 1 376 1 1 26 ALA H H 0.063 4.087 1.756 1.00 . A A . 25 ALA H 1 1 1 377 1 1 26 ALA HA H -1.929 5.007 3.497 1.00 . A A . 25 ALA HA 1 1 1 378 1 1 26 ALA HB1 H -0.548 6.524 1.290 1.00 . A A . 25 ALA HB1 1 1 1 379 1 1 26 ALA HB2 H 0.089 6.281 2.916 1.00 . A A . 25 ALA HB2 1 1 1 380 1 1 26 ALA HB3 H -1.382 7.226 2.677 1.00 . A A . 25 ALA HB3 1 1 1 381 1 1 26 ALA N N -0.853 3.954 2.084 1.00 . A A . 25 ALA N 1 1 1 382 1 1 26 ALA O O -4.004 5.380 2.116 1.00 . A A . 25 ALA O 1 1 1 383 1 1 27 LYS C C -4.766 3.909 -0.317 1.00 . A A . 26 LYS C 1 1 1 384 1 1 27 LYS CA C -3.825 5.059 -0.646 1.00 . A A . 26 LYS CA 1 1 1 385 1 1 27 LYS CB C -3.319 4.897 -2.080 1.00 . A A . 26 LYS CB 1 1 1 386 1 1 27 LYS CD C -3.963 4.334 -4.454 1.00 . A A . 26 LYS CD 1 1 1 387 1 1 27 LYS CE C -3.605 2.857 -4.356 1.00 . A A . 26 LYS CE 1 1 1 388 1 1 27 LYS CG C -4.436 4.885 -3.118 1.00 . A A . 26 LYS CG 1 1 1 389 1 1 27 LYS H H -1.794 4.995 -0.052 1.00 . A A . 26 LYS H 1 1 1 390 1 1 27 LYS HA H -4.358 5.992 -0.556 1.00 . A A . 26 LYS HA 1 1 1 391 1 1 27 LYS HB2 H -2.648 5.711 -2.309 1.00 . A A . 26 LYS HB2 1 1 1 392 1 1 27 LYS HB3 H -2.777 3.968 -2.155 1.00 . A A . 26 LYS HB3 1 1 1 393 1 1 27 LYS HD2 H -4.751 4.454 -5.182 1.00 . A A . 26 LYS HD2 1 1 1 394 1 1 27 LYS HD3 H -3.091 4.886 -4.770 1.00 . A A . 26 LYS HD3 1 1 1 395 1 1 27 LYS HE2 H -2.777 2.745 -3.671 1.00 . A A . 26 LYS HE2 1 1 1 396 1 1 27 LYS HE3 H -4.460 2.318 -3.975 1.00 . A A . 26 LYS HE3 1 1 1 397 1 1 27 LYS HG2 H -5.243 4.269 -2.753 1.00 . A A . 26 LYS HG2 1 1 1 398 1 1 27 LYS HG3 H -4.789 5.896 -3.261 1.00 . A A . 26 LYS HG3 1 1 1 399 1 1 27 LYS HZ1 H -2.380 2.772 -6.047 1.00 . A A . 26 LYS HZ1 1 1 1 400 1 1 27 LYS HZ2 H -3.998 2.389 -6.351 1.00 . A A . 26 LYS HZ2 1 1 1 401 1 1 27 LYS HZ3 H -2.998 1.272 -5.569 1.00 . A A . 26 LYS HZ3 1 1 1 402 1 1 27 LYS N N -2.710 5.078 0.293 1.00 . A A . 26 LYS N 1 1 1 403 1 1 27 LYS NZ N -3.219 2.284 -5.672 1.00 . A A . 26 LYS NZ 1 1 1 404 1 1 27 LYS O O -5.988 4.060 -0.342 1.00 . A A . 26 LYS O 1 1 1 405 1 1 28 TYR C C -5.827 1.821 1.544 1.00 . A A . 27 TYR C 1 1 1 406 1 1 28 TYR CA C -4.940 1.570 0.332 1.00 . A A . 27 TYR CA 1 1 1 407 1 1 28 TYR CB C -4.000 0.388 0.596 1.00 . A A . 27 TYR CB 1 1 1 408 1 1 28 TYR CD1 C -5.283 -1.720 0.046 1.00 . A A . 27 TYR CD1 1 1 1 409 1 1 28 TYR CD2 C -4.817 -1.248 2.333 1.00 . A A . 27 TYR CD2 1 1 1 410 1 1 28 TYR CE1 C -5.929 -2.884 0.412 1.00 . A A . 27 TYR CE1 1 1 1 411 1 1 28 TYR CE2 C -5.460 -2.408 2.707 1.00 . A A . 27 TYR CE2 1 1 1 412 1 1 28 TYR CG C -4.716 -0.883 0.999 1.00 . A A . 27 TYR CG 1 1 1 413 1 1 28 TYR CZ C -6.045 -3.209 1.733 1.00 . A A . 27 TYR CZ 1 1 1 414 1 1 28 TYR H H -3.195 2.717 0.004 1.00 . A A . 27 TYR H 1 1 1 415 1 1 28 TYR HA H -5.570 1.336 -0.513 1.00 . A A . 27 TYR HA 1 1 1 416 1 1 28 TYR HB2 H -3.435 0.177 -0.300 1.00 . A A . 27 TYR HB2 1 1 1 417 1 1 28 TYR HB3 H -3.321 0.652 1.387 1.00 . A A . 27 TYR HB3 1 1 1 418 1 1 28 TYR HD1 H -5.214 -1.453 -0.998 1.00 . A A . 27 TYR HD1 1 1 1 419 1 1 28 TYR HD2 H -4.384 -0.607 3.087 1.00 . A A . 27 TYR HD2 1 1 1 420 1 1 28 TYR HE1 H -6.363 -3.522 -0.341 1.00 . A A . 27 TYR HE1 1 1 1 421 1 1 28 TYR HE2 H -5.531 -2.670 3.753 1.00 . A A . 27 TYR HE2 1 1 1 422 1 1 28 TYR HH H -6.558 -5.043 1.417 1.00 . A A . 27 TYR HH 1 1 1 423 1 1 28 TYR N N -4.178 2.762 0.000 1.00 . A A . 27 TYR N 1 1 1 424 1 1 28 TYR O O -6.995 1.460 1.536 1.00 . A A . 27 TYR O 1 1 1 425 1 1 28 TYR OH O -6.651 -4.385 2.119 1.00 . A A . 27 TYR OH 1 1 1 426 1 1 29 GLN C C -7.197 3.695 3.464 1.00 . A A . 28 GLN C 1 1 1 427 1 1 29 GLN CA C -6.033 2.763 3.780 1.00 . A A . 28 GLN CA 1 1 1 428 1 1 29 GLN CB C -5.143 3.409 4.845 1.00 . A A . 28 GLN CB 1 1 1 429 1 1 29 GLN CD C -3.300 3.130 6.541 1.00 . A A . 28 GLN CD 1 1 1 430 1 1 29 GLN CG C -4.080 2.481 5.416 1.00 . A A . 28 GLN CG 1 1 1 431 1 1 29 GLN H H -4.327 2.715 2.519 1.00 . A A . 28 GLN H 1 1 1 432 1 1 29 GLN HA H -6.428 1.835 4.165 1.00 . A A . 28 GLN HA 1 1 1 433 1 1 29 GLN HB2 H -4.645 4.265 4.408 1.00 . A A . 28 GLN HB2 1 1 1 434 1 1 29 GLN HB3 H -5.768 3.750 5.658 1.00 . A A . 28 GLN HB3 1 1 1 435 1 1 29 GLN HE21 H -1.968 3.831 5.249 1.00 . A A . 28 GLN HE21 1 1 1 436 1 1 29 GLN HE22 H -1.686 4.225 6.906 1.00 . A A . 28 GLN HE22 1 1 1 437 1 1 29 GLN HG2 H -4.558 1.591 5.799 1.00 . A A . 28 GLN HG2 1 1 1 438 1 1 29 GLN HG3 H -3.392 2.209 4.630 1.00 . A A . 28 GLN HG3 1 1 1 439 1 1 29 GLN N N -5.272 2.454 2.572 1.00 . A A . 28 GLN N 1 1 1 440 1 1 29 GLN NE2 N -2.209 3.795 6.197 1.00 . A A . 28 GLN NE2 1 1 1 441 1 1 29 GLN O O -8.297 3.535 3.998 1.00 . A A . 28 GLN O 1 1 1 442 1 1 29 GLN OE1 O -3.677 3.038 7.708 1.00 . A A . 28 GLN OE1 1 1 1 443 1 1 30 LYS C C -9.097 4.915 1.451 1.00 . A A . 29 LYS C 1 1 1 444 1 1 30 LYS CA C -7.970 5.621 2.199 1.00 . A A . 29 LYS CA 1 1 1 445 1 1 30 LYS CB C -7.358 6.719 1.327 1.00 . A A . 29 LYS CB 1 1 1 446 1 1 30 LYS CD C -7.694 8.835 0.025 1.00 . A A . 29 LYS CD 1 1 1 447 1 1 30 LYS CE C -8.707 9.825 -0.522 1.00 . A A . 29 LYS CE 1 1 1 448 1 1 30 LYS CG C -8.367 7.742 0.837 1.00 . A A . 29 LYS CG 1 1 1 449 1 1 30 LYS H H -6.041 4.754 2.229 1.00 . A A . 29 LYS H 1 1 1 450 1 1 30 LYS HA H -8.373 6.067 3.094 1.00 . A A . 29 LYS HA 1 1 1 451 1 1 30 LYS HB2 H -6.603 7.238 1.901 1.00 . A A . 29 LYS HB2 1 1 1 452 1 1 30 LYS HB3 H -6.892 6.262 0.466 1.00 . A A . 29 LYS HB3 1 1 1 453 1 1 30 LYS HD2 H -6.996 9.362 0.658 1.00 . A A . 29 LYS HD2 1 1 1 454 1 1 30 LYS HD3 H -7.163 8.381 -0.799 1.00 . A A . 29 LYS HD3 1 1 1 455 1 1 30 LYS HE2 H -9.344 9.316 -1.230 1.00 . A A . 29 LYS HE2 1 1 1 456 1 1 30 LYS HE3 H -9.305 10.198 0.295 1.00 . A A . 29 LYS HE3 1 1 1 457 1 1 30 LYS HG2 H -9.099 7.245 0.217 1.00 . A A . 29 LYS HG2 1 1 1 458 1 1 30 LYS HG3 H -8.858 8.189 1.690 1.00 . A A . 29 LYS HG3 1 1 1 459 1 1 30 LYS HZ1 H -7.413 11.457 -0.538 1.00 . A A . 29 LYS HZ1 1 1 1 460 1 1 30 LYS HZ2 H -8.760 11.644 -1.539 1.00 . A A . 29 LYS HZ2 1 1 1 461 1 1 30 LYS HZ3 H -7.492 10.635 -2.015 1.00 . A A . 29 LYS HZ3 1 1 1 462 1 1 30 LYS N N -6.945 4.670 2.603 1.00 . A A . 29 LYS N 1 1 1 463 1 1 30 LYS NZ N -8.048 10.969 -1.202 1.00 . A A . 29 LYS NZ 1 1 1 464 1 1 30 LYS O O -10.273 5.061 1.794 1.00 . A A . 29 LYS O 1 1 1 465 1 1 31 ASP C C -10.404 2.353 0.461 1.00 . A A . 30 ASP C 1 1 1 466 1 1 31 ASP CA C -9.712 3.428 -0.375 1.00 . A A . 30 ASP CA 1 1 1 467 1 1 31 ASP CB C -9.042 2.801 -1.603 1.00 . A A . 30 ASP CB 1 1 1 468 1 1 31 ASP CG C -10.028 2.485 -2.715 1.00 . A A . 30 ASP CG 1 1 1 469 1 1 31 ASP H H -7.773 4.055 0.223 1.00 . A A . 30 ASP H 1 1 1 470 1 1 31 ASP HA H -10.451 4.141 -0.704 1.00 . A A . 30 ASP HA 1 1 1 471 1 1 31 ASP HB2 H -8.305 3.490 -1.992 1.00 . A A . 30 ASP HB2 1 1 1 472 1 1 31 ASP HB3 H -8.552 1.885 -1.307 1.00 . A A . 30 ASP HB3 1 1 1 473 1 1 31 ASP N N -8.731 4.145 0.434 1.00 . A A . 30 ASP N 1 1 1 474 1 1 31 ASP O O -11.574 2.037 0.247 1.00 . A A . 30 ASP O 1 1 1 475 1 1 31 ASP OD1 O -10.452 1.317 -2.842 1.00 . A A . 30 ASP OD1 1 1 1 476 1 1 31 ASP OD2 O -10.369 3.410 -3.484 1.00 . A A . 30 ASP OD2 1 1 1 477 1 1 32 LEU C C -11.262 1.409 3.239 1.00 . A A . 31 LEU C 1 1 1 478 1 1 32 LEU CA C -10.189 0.801 2.345 1.00 . A A . 31 LEU CA 1 1 1 479 1 1 32 LEU CB C -9.062 0.227 3.213 1.00 . A A . 31 LEU CB 1 1 1 480 1 1 32 LEU CD1 C -9.806 -2.176 3.233 1.00 . A A . 31 LEU CD1 1 1 1 481 1 1 32 LEU CD2 C -8.294 -1.308 5.027 1.00 . A A . 31 LEU CD2 1 1 1 482 1 1 32 LEU CG C -9.439 -0.970 4.087 1.00 . A A . 31 LEU CG 1 1 1 483 1 1 32 LEU H H -8.721 2.071 1.500 1.00 . A A . 31 LEU H 1 1 1 484 1 1 32 LEU HA H -10.627 0.009 1.763 1.00 . A A . 31 LEU HA 1 1 1 485 1 1 32 LEU HB2 H -8.251 -0.071 2.564 1.00 . A A . 31 LEU HB2 1 1 1 486 1 1 32 LEU HB3 H -8.705 1.013 3.862 1.00 . A A . 31 LEU HB3 1 1 1 487 1 1 32 LEU HD11 H -9.984 -3.028 3.872 1.00 . A A . 31 LEU HD11 1 1 1 488 1 1 32 LEU HD12 H -8.995 -2.398 2.554 1.00 . A A . 31 LEU HD12 1 1 1 489 1 1 32 LEU HD13 H -10.699 -1.959 2.667 1.00 . A A . 31 LEU HD13 1 1 1 490 1 1 32 LEU HD21 H -8.551 -2.179 5.611 1.00 . A A . 31 LEU HD21 1 1 1 491 1 1 32 LEU HD22 H -8.112 -0.472 5.686 1.00 . A A . 31 LEU HD22 1 1 1 492 1 1 32 LEU HD23 H -7.404 -1.511 4.448 1.00 . A A . 31 LEU HD23 1 1 1 493 1 1 32 LEU HG H -10.299 -0.712 4.687 1.00 . A A . 31 LEU HG 1 1 1 494 1 1 32 LEU N N -9.663 1.802 1.420 1.00 . A A . 31 LEU N 1 1 1 495 1 1 32 LEU O O -12.307 0.806 3.467 1.00 . A A . 31 LEU O 1 1 1 496 1 1 33 ALA C C -13.197 3.646 3.779 1.00 . A A . 32 ALA C 1 1 1 497 1 1 33 ALA CA C -11.941 3.326 4.573 1.00 . A A . 32 ALA CA 1 1 1 498 1 1 33 ALA CB C -11.316 4.602 5.093 1.00 . A A . 32 ALA CB 1 1 1 499 1 1 33 ALA H H -10.110 3.007 3.570 1.00 . A A . 32 ALA H 1 1 1 500 1 1 33 ALA HA H -12.200 2.704 5.416 1.00 . A A . 32 ALA HA 1 1 1 501 1 1 33 ALA HB1 H -12.014 5.107 5.742 1.00 . A A . 32 ALA HB1 1 1 1 502 1 1 33 ALA HB2 H -11.069 5.243 4.259 1.00 . A A . 32 ALA HB2 1 1 1 503 1 1 33 ALA HB3 H -10.418 4.364 5.642 1.00 . A A . 32 ALA HB3 1 1 1 504 1 1 33 ALA N N -10.987 2.603 3.747 1.00 . A A . 32 ALA N 1 1 1 505 1 1 33 ALA O O -14.307 3.640 4.308 1.00 . A A . 32 ALA O 1 1 1 506 1 1 34 ASP C C -14.871 2.924 1.265 1.00 . A A . 33 ASP C 1 1 1 507 1 1 34 ASP CA C -14.102 4.206 1.591 1.00 . A A . 33 ASP CA 1 1 1 508 1 1 34 ASP CB C -13.557 4.846 0.309 1.00 . A A . 33 ASP CB 1 1 1 509 1 1 34 ASP CG C -14.631 5.115 -0.723 1.00 . A A . 33 ASP CG 1 1 1 510 1 1 34 ASP H H -12.080 3.948 2.162 1.00 . A A . 33 ASP H 1 1 1 511 1 1 34 ASP HA H -14.766 4.901 2.080 1.00 . A A . 33 ASP HA 1 1 1 512 1 1 34 ASP HB2 H -13.083 5.784 0.558 1.00 . A A . 33 ASP HB2 1 1 1 513 1 1 34 ASP HB3 H -12.823 4.184 -0.128 1.00 . A A . 33 ASP HB3 1 1 1 514 1 1 34 ASP N N -13.000 3.925 2.502 1.00 . A A . 33 ASP N 1 1 1 515 1 1 34 ASP O O -16.049 2.958 0.911 1.00 . A A . 33 ASP O 1 1 1 516 1 1 34 ASP OD1 O -14.790 4.293 -1.649 1.00 . A A . 33 ASP OD1 1 1 1 517 1 1 34 ASP OD2 O -15.311 6.158 -0.628 1.00 . A A . 33 ASP OD2 1 1 1 518 1 1 35 TYR C C -15.731 0.077 2.244 1.00 . A A . 34 TYR C 1 1 1 519 1 1 35 TYR CA C -14.767 0.488 1.134 1.00 . A A . 34 TYR CA 1 1 1 520 1 1 35 TYR CB C -13.635 -0.537 0.990 1.00 . A A . 34 TYR CB 1 1 1 521 1 1 35 TYR CD1 C -14.809 -2.357 -0.302 1.00 . A A . 34 TYR CD1 1 1 1 522 1 1 35 TYR CD2 C -13.760 -2.936 1.755 1.00 . A A . 34 TYR CD2 1 1 1 523 1 1 35 TYR CE1 C -15.200 -3.669 -0.475 1.00 . A A . 34 TYR CE1 1 1 1 524 1 1 35 TYR CE2 C -14.149 -4.248 1.591 1.00 . A A . 34 TYR CE2 1 1 1 525 1 1 35 TYR CG C -14.084 -1.969 0.813 1.00 . A A . 34 TYR CG 1 1 1 526 1 1 35 TYR CZ C -14.870 -4.611 0.475 1.00 . A A . 34 TYR CZ 1 1 1 527 1 1 35 TYR H H -13.260 1.847 1.718 1.00 . A A . 34 TYR H 1 1 1 528 1 1 35 TYR HA H -15.309 0.548 0.203 1.00 . A A . 34 TYR HA 1 1 1 529 1 1 35 TYR HB2 H -13.040 -0.279 0.128 1.00 . A A . 34 TYR HB2 1 1 1 530 1 1 35 TYR HB3 H -13.014 -0.493 1.871 1.00 . A A . 34 TYR HB3 1 1 1 531 1 1 35 TYR HD1 H -15.068 -1.618 -1.043 1.00 . A A . 34 TYR HD1 1 1 1 532 1 1 35 TYR HD2 H -13.195 -2.649 2.630 1.00 . A A . 34 TYR HD2 1 1 1 533 1 1 35 TYR HE1 H -15.760 -3.951 -1.351 1.00 . A A . 34 TYR HE1 1 1 1 534 1 1 35 TYR HE2 H -13.888 -4.984 2.336 1.00 . A A . 34 TYR HE2 1 1 1 535 1 1 35 TYR HH H -15.571 -6.272 1.144 1.00 . A A . 34 TYR HH 1 1 1 536 1 1 35 TYR N N -14.189 1.798 1.408 1.00 . A A . 34 TYR N 1 1 1 537 1 1 35 TYR O O -15.384 0.094 3.425 1.00 . A A . 34 TYR O 1 1 1 538 1 1 35 TYR OH O -15.253 -5.920 0.304 1.00 . A A . 34 TYR OH 1 1 1 539 1 1 36 NH2 HN1 H -17.151 -0.278 0.903 1.00 . A A . 35 NH2 HN1 1 1 1 540 1 1 36 NH2 HN2 H -17.589 -0.550 2.553 1.00 . A A . 35 NH2 HN2 1 1 1 541 1 1 36 NH2 N N -16.945 -0.289 1.862 1.00 . A A . 35 NH2 N 1 1 2 542 1 1 1 ACE C C -12.837 -1.507 -5.294 1.00 . A A . 0 ACE C 1 1 2 543 1 1 1 ACE CH3 C -13.717 -0.477 -4.647 1.00 . A A . 0 ACE CH3 1 1 2 544 1 1 1 ACE H1 H -13.095 0.195 -4.066 1.00 . A A . 0 ACE H1 1 1 2 545 1 1 1 ACE H2 H -14.419 -0.964 -3.998 1.00 . A A . 0 ACE H2 1 1 2 546 1 1 1 ACE H3 H -14.252 0.058 -5.423 1.00 . A A . 0 ACE H3 1 1 2 547 1 1 1 ACE O O -12.168 -1.231 -6.290 1.00 . A A . 0 ACE O 1 1 2 548 1 1 2 PRO C C -10.717 -2.620 -3.402 1.00 . A A . 1 PRO C 1 1 2 549 1 1 2 PRO CA C -12.202 -2.977 -3.420 1.00 . A A . 1 PRO CA 1 1 2 550 1 1 2 PRO CB C -12.404 -4.484 -3.216 1.00 . A A . 1 PRO CB 1 1 2 551 1 1 2 PRO CD C -13.356 -3.940 -5.335 1.00 . A A . 1 PRO CD 1 1 2 552 1 1 2 PRO CG C -12.661 -5.035 -4.574 1.00 . A A . 1 PRO CG 1 1 2 553 1 1 2 PRO HA H -12.711 -2.431 -2.638 1.00 . A A . 1 PRO HA 1 1 2 554 1 1 2 PRO HB2 H -11.511 -4.919 -2.785 1.00 . A A . 1 PRO HB2 1 1 2 555 1 1 2 PRO HB3 H -13.254 -4.664 -2.577 1.00 . A A . 1 PRO HB3 1 1 2 556 1 1 2 PRO HD2 H -13.116 -3.993 -6.386 1.00 . A A . 1 PRO HD2 1 1 2 557 1 1 2 PRO HD3 H -14.424 -3.990 -5.186 1.00 . A A . 1 PRO HD3 1 1 2 558 1 1 2 PRO HG2 H -11.721 -5.291 -5.046 1.00 . A A . 1 PRO HG2 1 1 2 559 1 1 2 PRO HG3 H -13.298 -5.902 -4.506 1.00 . A A . 1 PRO HG3 1 1 2 560 1 1 2 PRO N N -12.805 -2.721 -4.733 1.00 . A A . 1 PRO N 1 1 2 561 1 1 2 PRO O O -10.027 -2.762 -4.414 1.00 . A A . 1 PRO O 1 1 2 562 1 1 3 PRO C C -7.819 -2.843 -2.362 1.00 . A A . 2 PRO C 1 1 2 563 1 1 3 PRO CA C -8.809 -1.706 -2.133 1.00 . A A . 2 PRO CA 1 1 2 564 1 1 3 PRO CB C -8.715 -1.202 -0.690 1.00 . A A . 2 PRO CB 1 1 2 565 1 1 3 PRO CD C -10.935 -1.996 -0.986 1.00 . A A . 2 PRO CD 1 1 2 566 1 1 3 PRO CG C -9.828 -1.881 0.021 1.00 . A A . 2 PRO CG 1 1 2 567 1 1 3 PRO HA H -8.590 -0.898 -2.814 1.00 . A A . 2 PRO HA 1 1 2 568 1 1 3 PRO HB2 H -7.756 -1.476 -0.266 1.00 . A A . 2 PRO HB2 1 1 2 569 1 1 3 PRO HB3 H -8.851 -0.133 -0.658 1.00 . A A . 2 PRO HB3 1 1 2 570 1 1 3 PRO HD2 H -11.546 -2.863 -0.784 1.00 . A A . 2 PRO HD2 1 1 2 571 1 1 3 PRO HD3 H -11.540 -1.100 -0.993 1.00 . A A . 2 PRO HD3 1 1 2 572 1 1 3 PRO HG2 H -9.505 -2.860 0.349 1.00 . A A . 2 PRO HG2 1 1 2 573 1 1 3 PRO HG3 H -10.147 -1.289 0.861 1.00 . A A . 2 PRO HG3 1 1 2 574 1 1 3 PRO N N -10.204 -2.144 -2.257 1.00 . A A . 2 PRO N 1 1 2 575 1 1 3 PRO O O -8.028 -3.968 -1.902 1.00 . A A . 2 PRO O 1 1 2 576 1 1 4 THR C C -4.513 -3.346 -2.468 1.00 . A A . 3 THR C 1 1 2 577 1 1 4 THR CA C -5.729 -3.539 -3.365 1.00 . A A . 3 THR CA 1 1 2 578 1 1 4 THR CB C -5.306 -3.470 -4.843 1.00 . A A . 3 THR CB 1 1 2 579 1 1 4 THR CG2 C -4.251 -4.519 -5.160 1.00 . A A . 3 THR CG2 1 1 2 580 1 1 4 THR H H -6.628 -1.635 -3.409 1.00 . A A . 3 THR H 1 1 2 581 1 1 4 THR HA H -6.149 -4.513 -3.177 1.00 . A A . 3 THR HA 1 1 2 582 1 1 4 THR HB H -4.892 -2.492 -5.038 1.00 . A A . 3 THR HB 1 1 2 583 1 1 4 THR HG1 H -6.464 -4.590 -5.984 1.00 . A A . 3 THR HG1 1 1 2 584 1 1 4 THR HG21 H -4.643 -5.500 -4.936 1.00 . A A . 3 THR HG21 1 1 2 585 1 1 4 THR HG22 H -3.373 -4.337 -4.559 1.00 . A A . 3 THR HG22 1 1 2 586 1 1 4 THR HG23 H -3.991 -4.464 -6.205 1.00 . A A . 3 THR HG23 1 1 2 587 1 1 4 THR N N -6.745 -2.548 -3.072 1.00 . A A . 3 THR N 1 1 2 588 1 1 4 THR O O -3.974 -2.240 -2.363 1.00 . A A . 3 THR O 1 1 2 589 1 1 4 THR OG1 O -6.453 -3.674 -5.682 1.00 . A A . 3 THR OG1 1 1 2 590 1 1 5 LYS C C -1.679 -4.197 -1.794 1.00 . A A . 4 LYS C 1 1 2 591 1 1 5 LYS CA C -2.931 -4.385 -0.950 1.00 . A A . 4 LYS CA 1 1 2 592 1 1 5 LYS CB C -2.812 -5.677 -0.141 1.00 . A A . 4 LYS CB 1 1 2 593 1 1 5 LYS CD C -3.758 -7.169 1.642 1.00 . A A . 4 LYS CD 1 1 2 594 1 1 5 LYS CE C -3.516 -8.421 0.810 1.00 . A A . 4 LYS CE 1 1 2 595 1 1 5 LYS CG C -3.995 -5.946 0.772 1.00 . A A . 4 LYS CG 1 1 2 596 1 1 5 LYS H H -4.586 -5.264 -1.925 1.00 . A A . 4 LYS H 1 1 2 597 1 1 5 LYS HA H -3.040 -3.550 -0.276 1.00 . A A . 4 LYS HA 1 1 2 598 1 1 5 LYS HB2 H -2.724 -6.506 -0.829 1.00 . A A . 4 LYS HB2 1 1 2 599 1 1 5 LYS HB3 H -1.918 -5.628 0.467 1.00 . A A . 4 LYS HB3 1 1 2 600 1 1 5 LYS HD2 H -2.894 -6.990 2.263 1.00 . A A . 4 LYS HD2 1 1 2 601 1 1 5 LYS HD3 H -4.626 -7.325 2.267 1.00 . A A . 4 LYS HD3 1 1 2 602 1 1 5 LYS HE2 H -4.383 -8.602 0.193 1.00 . A A . 4 LYS HE2 1 1 2 603 1 1 5 LYS HE3 H -2.655 -8.259 0.179 1.00 . A A . 4 LYS HE3 1 1 2 604 1 1 5 LYS HG2 H -4.146 -5.088 1.411 1.00 . A A . 4 LYS HG2 1 1 2 605 1 1 5 LYS HG3 H -4.874 -6.107 0.167 1.00 . A A . 4 LYS HG3 1 1 2 606 1 1 5 LYS HZ1 H -4.082 -9.774 2.295 1.00 . A A . 4 LYS HZ1 1 1 2 607 1 1 5 LYS HZ2 H -2.420 -9.473 2.239 1.00 . A A . 4 LYS HZ2 1 1 2 608 1 1 5 LYS HZ3 H -3.138 -10.458 1.069 1.00 . A A . 4 LYS HZ3 1 1 2 609 1 1 5 LYS N N -4.100 -4.421 -1.812 1.00 . A A . 4 LYS N 1 1 2 610 1 1 5 LYS NZ N -3.272 -9.614 1.661 1.00 . A A . 4 LYS NZ 1 1 2 611 1 1 5 LYS O O -1.623 -4.679 -2.927 1.00 . A A . 4 LYS O 1 1 2 612 1 1 6 PRO C C 1.298 -4.556 -2.356 1.00 . A A . 5 PRO C 1 1 2 613 1 1 6 PRO CA C 0.571 -3.260 -2.023 1.00 . A A . 5 PRO CA 1 1 2 614 1 1 6 PRO CB C 1.415 -2.390 -1.090 1.00 . A A . 5 PRO CB 1 1 2 615 1 1 6 PRO CD C -0.620 -2.873 0.061 1.00 . A A . 5 PRO CD 1 1 2 616 1 1 6 PRO CG C 0.463 -1.840 -0.087 1.00 . A A . 5 PRO CG 1 1 2 617 1 1 6 PRO HA H 0.375 -2.722 -2.937 1.00 . A A . 5 PRO HA 1 1 2 618 1 1 6 PRO HB2 H 2.175 -2.997 -0.613 1.00 . A A . 5 PRO HB2 1 1 2 619 1 1 6 PRO HB3 H 1.870 -1.586 -1.647 1.00 . A A . 5 PRO HB3 1 1 2 620 1 1 6 PRO HD2 H -0.350 -3.598 0.818 1.00 . A A . 5 PRO HD2 1 1 2 621 1 1 6 PRO HD3 H -1.564 -2.403 0.300 1.00 . A A . 5 PRO HD3 1 1 2 622 1 1 6 PRO HG2 H 0.976 -1.681 0.855 1.00 . A A . 5 PRO HG2 1 1 2 623 1 1 6 PRO HG3 H 0.042 -0.914 -0.453 1.00 . A A . 5 PRO HG3 1 1 2 624 1 1 6 PRO N N -0.661 -3.494 -1.275 1.00 . A A . 5 PRO N 1 1 2 625 1 1 6 PRO O O 1.797 -5.256 -1.471 1.00 . A A . 5 PRO O 1 1 2 626 1 1 7 THR C C 3.542 -5.697 -4.252 1.00 . A A . 6 THR C 1 1 2 627 1 1 7 THR CA C 2.054 -6.031 -4.139 1.00 . A A . 6 THR CA 1 1 2 628 1 1 7 THR CB C 1.497 -6.449 -5.510 1.00 . A A . 6 THR CB 1 1 2 629 1 1 7 THR CG2 C 1.956 -7.848 -5.890 1.00 . A A . 6 THR CG2 1 1 2 630 1 1 7 THR H H 0.838 -4.315 -4.280 1.00 . A A . 6 THR H 1 1 2 631 1 1 7 THR HA H 1.921 -6.844 -3.446 1.00 . A A . 6 THR HA 1 1 2 632 1 1 7 THR HB H 1.849 -5.750 -6.251 1.00 . A A . 6 THR HB 1 1 2 633 1 1 7 THR HG1 H -0.237 -6.567 -4.562 1.00 . A A . 6 THR HG1 1 1 2 634 1 1 7 THR HG21 H 1.550 -8.112 -6.854 1.00 . A A . 6 THR HG21 1 1 2 635 1 1 7 THR HG22 H 1.612 -8.553 -5.148 1.00 . A A . 6 THR HG22 1 1 2 636 1 1 7 THR HG23 H 3.035 -7.871 -5.934 1.00 . A A . 6 THR HG23 1 1 2 637 1 1 7 THR N N 1.332 -4.874 -3.641 1.00 . A A . 6 THR N 1 1 2 638 1 1 7 THR O O 4.380 -6.545 -4.565 1.00 . A A . 6 THR O 1 1 2 639 1 1 7 THR OG1 O 0.061 -6.414 -5.470 1.00 . A A . 6 THR OG1 1 1 2 640 1 1 8 LYS C C 5.974 -4.505 -2.782 1.00 . A A . 7 LYS C 1 1 2 641 1 1 8 LYS CA C 5.205 -3.933 -3.974 1.00 . A A . 7 LYS CA 1 1 2 642 1 1 8 LYS CB C 5.160 -2.402 -3.908 1.00 . A A . 7 LYS CB 1 1 2 643 1 1 8 LYS CD C 4.046 -0.297 -4.749 1.00 . A A . 7 LYS CD 1 1 2 644 1 1 8 LYS CE C 3.082 0.288 -5.775 1.00 . A A . 7 LYS CE 1 1 2 645 1 1 8 LYS CG C 4.288 -1.780 -4.994 1.00 . A A . 7 LYS CG 1 1 2 646 1 1 8 LYS H H 3.116 -3.826 -3.760 1.00 . A A . 7 LYS H 1 1 2 647 1 1 8 LYS HA H 5.683 -4.240 -4.889 1.00 . A A . 7 LYS HA 1 1 2 648 1 1 8 LYS HB2 H 4.769 -2.104 -2.946 1.00 . A A . 7 LYS HB2 1 1 2 649 1 1 8 LYS HB3 H 6.162 -2.017 -4.015 1.00 . A A . 7 LYS HB3 1 1 2 650 1 1 8 LYS HD2 H 3.626 -0.167 -3.762 1.00 . A A . 7 LYS HD2 1 1 2 651 1 1 8 LYS HD3 H 4.989 0.229 -4.813 1.00 . A A . 7 LYS HD3 1 1 2 652 1 1 8 LYS HE2 H 2.940 1.337 -5.558 1.00 . A A . 7 LYS HE2 1 1 2 653 1 1 8 LYS HE3 H 3.515 0.182 -6.758 1.00 . A A . 7 LYS HE3 1 1 2 654 1 1 8 LYS HG2 H 4.782 -1.900 -5.950 1.00 . A A . 7 LYS HG2 1 1 2 655 1 1 8 LYS HG3 H 3.335 -2.295 -5.014 1.00 . A A . 7 LYS HG3 1 1 2 656 1 1 8 LYS HZ1 H 1.315 -0.301 -4.810 1.00 . A A . 7 LYS HZ1 1 1 2 657 1 1 8 LYS HZ2 H 1.865 -1.401 -5.975 1.00 . A A . 7 LYS HZ2 1 1 2 658 1 1 8 LYS HZ3 H 1.124 0.033 -6.461 1.00 . A A . 7 LYS HZ3 1 1 2 659 1 1 8 LYS N N 3.843 -4.439 -3.976 1.00 . A A . 7 LYS N 1 1 2 660 1 1 8 LYS NZ N 1.758 -0.392 -5.753 1.00 . A A . 7 LYS NZ 1 1 2 661 1 1 8 LYS O O 5.366 -4.921 -1.795 1.00 . A A . 7 LYS O 1 1 2 662 1 1 9 PRO C C 7.971 -4.272 -0.490 1.00 . A A . 8 PRO C 1 1 2 663 1 1 9 PRO CA C 8.147 -5.077 -1.771 1.00 . A A . 8 PRO CA 1 1 2 664 1 1 9 PRO CB C 9.578 -4.936 -2.297 1.00 . A A . 8 PRO CB 1 1 2 665 1 1 9 PRO CD C 8.120 -4.154 -4.024 1.00 . A A . 8 PRO CD 1 1 2 666 1 1 9 PRO CG C 9.493 -3.975 -3.430 1.00 . A A . 8 PRO CG 1 1 2 667 1 1 9 PRO HA H 7.937 -6.116 -1.570 1.00 . A A . 8 PRO HA 1 1 2 668 1 1 9 PRO HB2 H 10.219 -4.552 -1.512 1.00 . A A . 8 PRO HB2 1 1 2 669 1 1 9 PRO HB3 H 9.940 -5.889 -2.644 1.00 . A A . 8 PRO HB3 1 1 2 670 1 1 9 PRO HD2 H 7.757 -3.222 -4.435 1.00 . A A . 8 PRO HD2 1 1 2 671 1 1 9 PRO HD3 H 8.130 -4.928 -4.780 1.00 . A A . 8 PRO HD3 1 1 2 672 1 1 9 PRO HG2 H 9.618 -2.966 -3.058 1.00 . A A . 8 PRO HG2 1 1 2 673 1 1 9 PRO HG3 H 10.250 -4.201 -4.167 1.00 . A A . 8 PRO HG3 1 1 2 674 1 1 9 PRO N N 7.313 -4.565 -2.865 1.00 . A A . 8 PRO N 1 1 2 675 1 1 9 PRO O O 8.068 -3.044 -0.495 1.00 . A A . 8 PRO O 1 1 2 676 1 1 10 GLY C C 8.110 -5.023 3.031 1.00 . A A . 9 GLY C 1 1 2 677 1 1 10 GLY CA C 7.463 -4.316 1.862 1.00 . A A . 9 GLY CA 1 1 2 678 1 1 10 GLY H H 7.690 -5.950 0.543 1.00 . A A . 9 GLY H 1 1 2 679 1 1 10 GLY HA2 H 7.845 -3.308 1.810 1.00 . A A . 9 GLY HA2 1 1 2 680 1 1 10 GLY HA3 H 6.397 -4.276 2.028 1.00 . A A . 9 GLY HA3 1 1 2 681 1 1 10 GLY N N 7.711 -4.974 0.600 1.00 . A A . 9 GLY N 1 1 2 682 1 1 10 GLY O O 8.367 -4.407 4.068 1.00 . A A . 9 GLY O 1 1 2 683 1 1 11 ASP C C 10.447 -6.674 4.103 1.00 . A A . 10 ASP C 1 1 2 684 1 1 11 ASP CA C 9.000 -7.102 3.932 1.00 . A A . 10 ASP CA 1 1 2 685 1 1 11 ASP CB C 8.944 -8.603 3.620 1.00 . A A . 10 ASP CB 1 1 2 686 1 1 11 ASP CG C 7.533 -9.125 3.434 1.00 . A A . 10 ASP CG 1 1 2 687 1 1 11 ASP H H 8.156 -6.748 2.021 1.00 . A A . 10 ASP H 1 1 2 688 1 1 11 ASP HA H 8.467 -6.909 4.849 1.00 . A A . 10 ASP HA 1 1 2 689 1 1 11 ASP HB2 H 9.495 -8.794 2.713 1.00 . A A . 10 ASP HB2 1 1 2 690 1 1 11 ASP HB3 H 9.405 -9.146 4.433 1.00 . A A . 10 ASP HB3 1 1 2 691 1 1 11 ASP N N 8.374 -6.316 2.873 1.00 . A A . 10 ASP N 1 1 2 692 1 1 11 ASP O O 10.905 -6.396 5.213 1.00 . A A . 10 ASP O 1 1 2 693 1 1 11 ASP OD1 O 6.817 -9.304 4.443 1.00 . A A . 10 ASP OD1 1 1 2 694 1 1 11 ASP OD2 O 7.138 -9.373 2.278 1.00 . A A . 10 ASP OD2 1 1 2 695 1 1 12 ASN C C 12.806 -5.387 1.692 1.00 . A A . 11 ASN C 1 1 2 696 1 1 12 ASN CA C 12.534 -6.153 2.977 1.00 . A A . 11 ASN CA 1 1 2 697 1 1 12 ASN CB C 13.499 -7.333 3.085 1.00 . A A . 11 ASN CB 1 1 2 698 1 1 12 ASN CG C 14.940 -6.885 3.255 1.00 . A A . 11 ASN CG 1 1 2 699 1 1 12 ASN H H 10.731 -6.863 2.140 1.00 . A A . 11 ASN H 1 1 2 700 1 1 12 ASN HA H 12.678 -5.496 3.819 1.00 . A A . 11 ASN HA 1 1 2 701 1 1 12 ASN HB2 H 13.226 -7.935 3.938 1.00 . A A . 11 ASN HB2 1 1 2 702 1 1 12 ASN HB3 H 13.428 -7.928 2.188 1.00 . A A . 11 ASN HB3 1 1 2 703 1 1 12 ASN HD21 H 15.596 -8.474 2.252 1.00 . A A . 11 ASN HD21 1 1 2 704 1 1 12 ASN HD22 H 16.813 -7.385 2.819 1.00 . A A . 11 ASN HD22 1 1 2 705 1 1 12 ASN N N 11.153 -6.606 2.989 1.00 . A A . 11 ASN N 1 1 2 706 1 1 12 ASN ND2 N 15.875 -7.659 2.723 1.00 . A A . 11 ASN ND2 1 1 2 707 1 1 12 ASN O O 12.745 -5.956 0.601 1.00 . A A . 11 ASN O 1 1 2 708 1 1 12 ASN OD1 O 15.211 -5.849 3.865 1.00 . A A . 11 ASN OD1 1 1 2 709 1 1 13 ALA C C 14.097 -2.008 1.051 1.00 . A A . 12 ALA C 1 1 2 710 1 1 13 ALA CA C 13.309 -3.249 0.665 1.00 . A A . 12 ALA CA 1 1 2 711 1 1 13 ALA CB C 11.971 -2.859 0.052 1.00 . A A . 12 ALA CB 1 1 2 712 1 1 13 ALA H H 13.189 -3.717 2.716 1.00 . A A . 12 ALA H 1 1 2 713 1 1 13 ALA HA H 13.869 -3.804 -0.071 1.00 . A A . 12 ALA HA 1 1 2 714 1 1 13 ALA HB1 H 12.138 -2.336 -0.877 1.00 . A A . 12 ALA HB1 1 1 2 715 1 1 13 ALA HB2 H 11.436 -2.217 0.736 1.00 . A A . 12 ALA HB2 1 1 2 716 1 1 13 ALA HB3 H 11.390 -3.750 -0.134 1.00 . A A . 12 ALA HB3 1 1 2 717 1 1 13 ALA N N 13.101 -4.103 1.821 1.00 . A A . 12 ALA N 1 1 2 718 1 1 13 ALA O O 14.317 -1.744 2.239 1.00 . A A . 12 ALA O 1 1 2 719 1 1 14 THR C C 14.309 1.029 0.864 1.00 . A A . 13 THR C 1 1 2 720 1 1 14 THR CA C 15.239 -0.016 0.260 1.00 . A A . 13 THR CA 1 1 2 721 1 1 14 THR CB C 15.829 0.515 -1.060 1.00 . A A . 13 THR CB 1 1 2 722 1 1 14 THR CG2 C 16.878 -0.441 -1.596 1.00 . A A . 13 THR CG2 1 1 2 723 1 1 14 THR H H 14.367 -1.566 -0.873 1.00 . A A . 13 THR H 1 1 2 724 1 1 14 THR HA H 16.051 -0.200 0.947 1.00 . A A . 13 THR HA 1 1 2 725 1 1 14 THR HB H 16.295 1.470 -0.873 1.00 . A A . 13 THR HB 1 1 2 726 1 1 14 THR HG1 H 14.455 -0.186 -2.291 1.00 . A A . 13 THR HG1 1 1 2 727 1 1 14 THR HG21 H 17.292 -0.046 -2.511 1.00 . A A . 13 THR HG21 1 1 2 728 1 1 14 THR HG22 H 16.421 -1.401 -1.790 1.00 . A A . 13 THR HG22 1 1 2 729 1 1 14 THR HG23 H 17.662 -0.558 -0.865 1.00 . A A . 13 THR HG23 1 1 2 730 1 1 14 THR N N 14.528 -1.263 0.045 1.00 . A A . 13 THR N 1 1 2 731 1 1 14 THR O O 13.097 0.989 0.637 1.00 . A A . 13 THR O 1 1 2 732 1 1 14 THR OG1 O 14.791 0.682 -2.033 1.00 . A A . 13 THR OG1 1 1 2 733 1 1 15 PRO C C 13.253 3.833 1.292 1.00 . A A . 14 PRO C 1 1 2 734 1 1 15 PRO CA C 14.061 3.013 2.294 1.00 . A A . 14 PRO CA 1 1 2 735 1 1 15 PRO CB C 15.105 3.887 2.998 1.00 . A A . 14 PRO CB 1 1 2 736 1 1 15 PRO CD C 16.287 2.104 1.941 1.00 . A A . 14 PRO CD 1 1 2 737 1 1 15 PRO CG C 16.407 3.539 2.375 1.00 . A A . 14 PRO CG 1 1 2 738 1 1 15 PRO HA H 13.390 2.589 3.026 1.00 . A A . 14 PRO HA 1 1 2 739 1 1 15 PRO HB2 H 14.874 4.932 2.844 1.00 . A A . 14 PRO HB2 1 1 2 740 1 1 15 PRO HB3 H 15.132 3.661 4.052 1.00 . A A . 14 PRO HB3 1 1 2 741 1 1 15 PRO HD2 H 16.886 1.922 1.062 1.00 . A A . 14 PRO HD2 1 1 2 742 1 1 15 PRO HD3 H 16.574 1.437 2.740 1.00 . A A . 14 PRO HD3 1 1 2 743 1 1 15 PRO HG2 H 16.583 4.188 1.523 1.00 . A A . 14 PRO HG2 1 1 2 744 1 1 15 PRO HG3 H 17.201 3.640 3.101 1.00 . A A . 14 PRO HG3 1 1 2 745 1 1 15 PRO N N 14.855 1.973 1.639 1.00 . A A . 14 PRO N 1 1 2 746 1 1 15 PRO O O 12.126 4.241 1.577 1.00 . A A . 14 PRO O 1 1 2 747 1 1 16 GLU C C 11.937 4.006 -1.443 1.00 . A A . 15 GLU C 1 1 2 748 1 1 16 GLU CA C 13.141 4.795 -0.937 1.00 . A A . 15 GLU CA 1 1 2 749 1 1 16 GLU CB C 14.093 5.095 -2.091 1.00 . A A . 15 GLU CB 1 1 2 750 1 1 16 GLU CD C 14.425 6.233 -4.316 1.00 . A A . 15 GLU CD 1 1 2 751 1 1 16 GLU CG C 13.467 5.947 -3.184 1.00 . A A . 15 GLU CG 1 1 2 752 1 1 16 GLU H H 14.734 3.719 -0.053 1.00 . A A . 15 GLU H 1 1 2 753 1 1 16 GLU HA H 12.797 5.724 -0.514 1.00 . A A . 15 GLU HA 1 1 2 754 1 1 16 GLU HB2 H 14.957 5.619 -1.703 1.00 . A A . 15 GLU HB2 1 1 2 755 1 1 16 GLU HB3 H 14.416 4.161 -2.529 1.00 . A A . 15 GLU HB3 1 1 2 756 1 1 16 GLU HG2 H 12.604 5.431 -3.583 1.00 . A A . 15 GLU HG2 1 1 2 757 1 1 16 GLU HG3 H 13.152 6.886 -2.752 1.00 . A A . 15 GLU HG3 1 1 2 758 1 1 16 GLU N N 13.828 4.059 0.115 1.00 . A A . 15 GLU N 1 1 2 759 1 1 16 GLU O O 10.865 4.565 -1.686 1.00 . A A . 15 GLU O 1 1 2 760 1 1 16 GLU OE1 O 14.218 5.705 -5.428 1.00 . A A . 15 GLU OE1 1 1 2 761 1 1 16 GLU OE2 O 15.400 6.977 -4.097 1.00 . A A . 15 GLU OE2 1 1 2 762 1 1 17 LYS C C 9.992 1.654 -1.018 1.00 . A A . 16 LYS C 1 1 2 763 1 1 17 LYS CA C 11.067 1.829 -2.080 1.00 . A A . 16 LYS CA 1 1 2 764 1 1 17 LYS CB C 11.645 0.467 -2.474 1.00 . A A . 16 LYS CB 1 1 2 765 1 1 17 LYS CD C 10.363 0.150 -4.609 1.00 . A A . 16 LYS CD 1 1 2 766 1 1 17 LYS CE C 9.445 -0.767 -5.398 1.00 . A A . 16 LYS CE 1 1 2 767 1 1 17 LYS CG C 10.675 -0.421 -3.233 1.00 . A A . 16 LYS CG 1 1 2 768 1 1 17 LYS H H 12.985 2.311 -1.343 1.00 . A A . 16 LYS H 1 1 2 769 1 1 17 LYS HA H 10.628 2.296 -2.947 1.00 . A A . 16 LYS HA 1 1 2 770 1 1 17 LYS HB2 H 12.515 0.624 -3.097 1.00 . A A . 16 LYS HB2 1 1 2 771 1 1 17 LYS HB3 H 11.948 -0.051 -1.575 1.00 . A A . 16 LYS HB3 1 1 2 772 1 1 17 LYS HD2 H 9.880 1.108 -4.488 1.00 . A A . 16 LYS HD2 1 1 2 773 1 1 17 LYS HD3 H 11.287 0.275 -5.153 1.00 . A A . 16 LYS HD3 1 1 2 774 1 1 17 LYS HE2 H 9.899 -1.745 -5.456 1.00 . A A . 16 LYS HE2 1 1 2 775 1 1 17 LYS HE3 H 8.499 -0.841 -4.881 1.00 . A A . 16 LYS HE3 1 1 2 776 1 1 17 LYS HG2 H 11.115 -1.401 -3.352 1.00 . A A . 16 LYS HG2 1 1 2 777 1 1 17 LYS HG3 H 9.757 -0.502 -2.669 1.00 . A A . 16 LYS HG3 1 1 2 778 1 1 17 LYS HZ1 H 8.581 -0.917 -7.292 1.00 . A A . 16 LYS HZ1 1 1 2 779 1 1 17 LYS HZ2 H 10.105 -0.186 -7.293 1.00 . A A . 16 LYS HZ2 1 1 2 780 1 1 17 LYS HZ3 H 8.756 0.673 -6.744 1.00 . A A . 16 LYS HZ3 1 1 2 781 1 1 17 LYS N N 12.120 2.701 -1.585 1.00 . A A . 16 LYS N 1 1 2 782 1 1 17 LYS NZ N 9.205 -0.263 -6.775 1.00 . A A . 16 LYS NZ 1 1 2 783 1 1 17 LYS O O 8.798 1.657 -1.320 1.00 . A A . 16 LYS O 1 1 2 784 1 1 18 LEU C C 8.646 2.631 1.497 1.00 . A A . 17 LEU C 1 1 2 785 1 1 18 LEU CA C 9.512 1.390 1.354 1.00 . A A . 17 LEU CA 1 1 2 786 1 1 18 LEU CB C 10.280 1.144 2.651 1.00 . A A . 17 LEU CB 1 1 2 787 1 1 18 LEU CD1 C 11.666 -0.342 4.094 1.00 . A A . 17 LEU CD1 1 1 2 788 1 1 18 LEU CD2 C 9.865 -1.326 2.672 1.00 . A A . 17 LEU CD2 1 1 2 789 1 1 18 LEU CG C 10.919 -0.236 2.779 1.00 . A A . 17 LEU CG 1 1 2 790 1 1 18 LEU H H 11.395 1.480 0.400 1.00 . A A . 17 LEU H 1 1 2 791 1 1 18 LEU HA H 8.875 0.543 1.161 1.00 . A A . 17 LEU HA 1 1 2 792 1 1 18 LEU HB2 H 11.060 1.883 2.725 1.00 . A A . 17 LEU HB2 1 1 2 793 1 1 18 LEU HB3 H 9.601 1.280 3.477 1.00 . A A . 17 LEU HB3 1 1 2 794 1 1 18 LEU HD11 H 10.981 -0.168 4.911 1.00 . A A . 17 LEU HD11 1 1 2 795 1 1 18 LEU HD12 H 12.452 0.396 4.121 1.00 . A A . 17 LEU HD12 1 1 2 796 1 1 18 LEU HD13 H 12.094 -1.328 4.188 1.00 . A A . 17 LEU HD13 1 1 2 797 1 1 18 LEU HD21 H 10.321 -2.286 2.862 1.00 . A A . 17 LEU HD21 1 1 2 798 1 1 18 LEU HD22 H 9.442 -1.321 1.679 1.00 . A A . 17 LEU HD22 1 1 2 799 1 1 18 LEU HD23 H 9.086 -1.146 3.398 1.00 . A A . 17 LEU HD23 1 1 2 800 1 1 18 LEU HG H 11.631 -0.373 1.978 1.00 . A A . 17 LEU HG 1 1 2 801 1 1 18 LEU N N 10.427 1.515 0.231 1.00 . A A . 17 LEU N 1 1 2 802 1 1 18 LEU O O 7.498 2.544 1.919 1.00 . A A . 17 LEU O 1 1 2 803 1 1 19 ALA C C 7.274 4.970 0.202 1.00 . A A . 18 ALA C 1 1 2 804 1 1 19 ALA CA C 8.439 5.024 1.180 1.00 . A A . 18 ALA CA 1 1 2 805 1 1 19 ALA CB C 9.340 6.205 0.873 1.00 . A A . 18 ALA CB 1 1 2 806 1 1 19 ALA H H 10.129 3.802 0.853 1.00 . A A . 18 ALA H 1 1 2 807 1 1 19 ALA HA H 8.053 5.145 2.179 1.00 . A A . 18 ALA HA 1 1 2 808 1 1 19 ALA HB1 H 9.708 6.120 -0.138 1.00 . A A . 18 ALA HB1 1 1 2 809 1 1 19 ALA HB2 H 10.170 6.209 1.562 1.00 . A A . 18 ALA HB2 1 1 2 810 1 1 19 ALA HB3 H 8.779 7.121 0.977 1.00 . A A . 18 ALA HB3 1 1 2 811 1 1 19 ALA N N 9.194 3.783 1.140 1.00 . A A . 18 ALA N 1 1 2 812 1 1 19 ALA O O 6.160 5.377 0.524 1.00 . A A . 18 ALA O 1 1 2 813 1 1 20 LYS C C 5.497 3.214 -1.497 1.00 . A A . 19 LYS C 1 1 2 814 1 1 20 LYS CA C 6.494 4.258 -1.983 1.00 . A A . 19 LYS CA 1 1 2 815 1 1 20 LYS CB C 7.103 3.827 -3.321 1.00 . A A . 19 LYS CB 1 1 2 816 1 1 20 LYS CD C 5.271 4.849 -4.735 1.00 . A A . 19 LYS CD 1 1 2 817 1 1 20 LYS CE C 6.152 5.962 -5.285 1.00 . A A . 19 LYS CE 1 1 2 818 1 1 20 LYS CG C 6.074 3.591 -4.421 1.00 . A A . 19 LYS CG 1 1 2 819 1 1 20 LYS H H 8.458 4.180 -1.201 1.00 . A A . 19 LYS H 1 1 2 820 1 1 20 LYS HA H 5.984 5.198 -2.111 1.00 . A A . 19 LYS HA 1 1 2 821 1 1 20 LYS HB2 H 7.786 4.591 -3.653 1.00 . A A . 19 LYS HB2 1 1 2 822 1 1 20 LYS HB3 H 7.652 2.909 -3.172 1.00 . A A . 19 LYS HB3 1 1 2 823 1 1 20 LYS HD2 H 4.518 4.608 -5.470 1.00 . A A . 19 LYS HD2 1 1 2 824 1 1 20 LYS HD3 H 4.795 5.193 -3.829 1.00 . A A . 19 LYS HD3 1 1 2 825 1 1 20 LYS HE2 H 5.543 6.839 -5.442 1.00 . A A . 19 LYS HE2 1 1 2 826 1 1 20 LYS HE3 H 6.921 6.186 -4.563 1.00 . A A . 19 LYS HE3 1 1 2 827 1 1 20 LYS HG2 H 6.585 3.275 -5.316 1.00 . A A . 19 LYS HG2 1 1 2 828 1 1 20 LYS HG3 H 5.394 2.815 -4.101 1.00 . A A . 19 LYS HG3 1 1 2 829 1 1 20 LYS HZ1 H 6.063 5.427 -7.301 1.00 . A A . 19 LYS HZ1 1 1 2 830 1 1 20 LYS HZ2 H 7.344 4.712 -6.461 1.00 . A A . 19 LYS HZ2 1 1 2 831 1 1 20 LYS HZ3 H 7.423 6.345 -6.894 1.00 . A A . 19 LYS HZ3 1 1 2 832 1 1 20 LYS N N 7.538 4.446 -0.988 1.00 . A A . 19 LYS N 1 1 2 833 1 1 20 LYS NZ N 6.791 5.584 -6.574 1.00 . A A . 19 LYS NZ 1 1 2 834 1 1 20 LYS O O 4.294 3.329 -1.725 1.00 . A A . 19 LYS O 1 1 2 835 1 1 21 TYR C C 4.245 1.765 0.815 1.00 . A A . 20 TYR C 1 1 2 836 1 1 21 TYR CA C 5.183 1.162 -0.229 1.00 . A A . 20 TYR CA 1 1 2 837 1 1 21 TYR CB C 6.074 0.085 0.398 1.00 . A A . 20 TYR CB 1 1 2 838 1 1 21 TYR CD1 C 4.908 -2.148 0.221 1.00 . A A . 20 TYR CD1 1 1 2 839 1 1 21 TYR CD2 C 5.023 -1.106 2.361 1.00 . A A . 20 TYR CD2 1 1 2 840 1 1 21 TYR CE1 C 4.215 -3.209 0.769 1.00 . A A . 20 TYR CE1 1 1 2 841 1 1 21 TYR CE2 C 4.331 -2.166 2.918 1.00 . A A . 20 TYR CE2 1 1 2 842 1 1 21 TYR CG C 5.323 -1.079 1.005 1.00 . A A . 20 TYR CG 1 1 2 843 1 1 21 TYR CZ C 3.953 -3.223 2.125 1.00 . A A . 20 TYR CZ 1 1 2 844 1 1 21 TYR H H 6.987 2.150 -0.708 1.00 . A A . 20 TYR H 1 1 2 845 1 1 21 TYR HA H 4.592 0.721 -1.017 1.00 . A A . 20 TYR HA 1 1 2 846 1 1 21 TYR HB2 H 6.731 -0.311 -0.363 1.00 . A A . 20 TYR HB2 1 1 2 847 1 1 21 TYR HB3 H 6.670 0.537 1.178 1.00 . A A . 20 TYR HB3 1 1 2 848 1 1 21 TYR HD1 H 5.133 -2.141 -0.835 1.00 . A A . 20 TYR HD1 1 1 2 849 1 1 21 TYR HD2 H 5.337 -0.280 2.986 1.00 . A A . 20 TYR HD2 1 1 2 850 1 1 21 TYR HE1 H 3.901 -4.029 0.142 1.00 . A A . 20 TYR HE1 1 1 2 851 1 1 21 TYR HE2 H 4.108 -2.169 3.974 1.00 . A A . 20 TYR HE2 1 1 2 852 1 1 21 TYR HH H 2.625 -3.936 3.331 1.00 . A A . 20 TYR HH 1 1 2 853 1 1 21 TYR N N 6.013 2.202 -0.816 1.00 . A A . 20 TYR N 1 1 2 854 1 1 21 TYR O O 3.057 1.457 0.843 1.00 . A A . 20 TYR O 1 1 2 855 1 1 21 TYR OH O 3.240 -4.270 2.666 1.00 . A A . 20 TYR OH 1 1 2 856 1 1 22 GLN C C 2.991 4.265 2.038 1.00 . A A . 21 GLN C 1 1 2 857 1 1 22 GLN CA C 4.006 3.324 2.679 1.00 . A A . 21 GLN CA 1 1 2 858 1 1 22 GLN CB C 4.923 4.102 3.623 1.00 . A A . 21 GLN CB 1 1 2 859 1 1 22 GLN CD C 6.848 4.005 5.266 1.00 . A A . 21 GLN CD 1 1 2 860 1 1 22 GLN CG C 5.866 3.214 4.422 1.00 . A A . 21 GLN CG 1 1 2 861 1 1 22 GLN H H 5.756 2.820 1.596 1.00 . A A . 21 GLN H 1 1 2 862 1 1 22 GLN HA H 3.473 2.577 3.245 1.00 . A A . 21 GLN HA 1 1 2 863 1 1 22 GLN HB2 H 5.517 4.792 3.043 1.00 . A A . 21 GLN HB2 1 1 2 864 1 1 22 GLN HB3 H 4.314 4.662 4.316 1.00 . A A . 21 GLN HB3 1 1 2 865 1 1 22 GLN HE21 H 8.206 2.568 5.078 1.00 . A A . 21 GLN HE21 1 1 2 866 1 1 22 GLN HE22 H 8.691 3.943 6.007 1.00 . A A . 21 GLN HE22 1 1 2 867 1 1 22 GLN HG2 H 5.278 2.588 5.077 1.00 . A A . 21 GLN HG2 1 1 2 868 1 1 22 GLN HG3 H 6.421 2.594 3.735 1.00 . A A . 21 GLN HG3 1 1 2 869 1 1 22 GLN N N 4.791 2.635 1.659 1.00 . A A . 21 GLN N 1 1 2 870 1 1 22 GLN NE2 N 8.033 3.450 5.473 1.00 . A A . 21 GLN NE2 1 1 2 871 1 1 22 GLN O O 1.867 4.406 2.522 1.00 . A A . 21 GLN O 1 1 2 872 1 1 22 GLN OE1 O 6.546 5.105 5.731 1.00 . A A . 21 GLN OE1 1 1 2 873 1 1 23 ALA C C 1.360 5.015 -0.409 1.00 . A A . 22 ALA C 1 1 2 874 1 1 23 ALA CA C 2.508 5.797 0.215 1.00 . A A . 22 ALA CA 1 1 2 875 1 1 23 ALA CB C 3.286 6.540 -0.859 1.00 . A A . 22 ALA CB 1 1 2 876 1 1 23 ALA H H 4.320 4.798 0.644 1.00 . A A . 22 ALA H 1 1 2 877 1 1 23 ALA HA H 2.108 6.520 0.908 1.00 . A A . 22 ALA HA 1 1 2 878 1 1 23 ALA HB1 H 3.658 5.833 -1.586 1.00 . A A . 22 ALA HB1 1 1 2 879 1 1 23 ALA HB2 H 4.118 7.058 -0.405 1.00 . A A . 22 ALA HB2 1 1 2 880 1 1 23 ALA HB3 H 2.638 7.252 -1.347 1.00 . A A . 22 ALA HB3 1 1 2 881 1 1 23 ALA N N 3.393 4.911 0.953 1.00 . A A . 22 ALA N 1 1 2 882 1 1 23 ALA O O 0.212 5.461 -0.414 1.00 . A A . 22 ALA O 1 1 2 883 1 1 24 ASP C C -0.187 2.323 -0.479 1.00 . A A . 23 ASP C 1 1 2 884 1 1 24 ASP CA C 0.682 2.978 -1.548 1.00 . A A . 23 ASP CA 1 1 2 885 1 1 24 ASP CB C 1.367 1.916 -2.413 1.00 . A A . 23 ASP CB 1 1 2 886 1 1 24 ASP CG C 0.392 1.132 -3.267 1.00 . A A . 23 ASP CG 1 1 2 887 1 1 24 ASP H H 2.619 3.546 -0.899 1.00 . A A . 23 ASP H 1 1 2 888 1 1 24 ASP HA H 0.058 3.597 -2.175 1.00 . A A . 23 ASP HA 1 1 2 889 1 1 24 ASP HB2 H 2.078 2.398 -3.071 1.00 . A A . 23 ASP HB2 1 1 2 890 1 1 24 ASP HB3 H 1.893 1.221 -1.769 1.00 . A A . 23 ASP HB3 1 1 2 891 1 1 24 ASP N N 1.680 3.839 -0.927 1.00 . A A . 23 ASP N 1 1 2 892 1 1 24 ASP O O -1.372 2.061 -0.692 1.00 . A A . 23 ASP O 1 1 2 893 1 1 24 ASP OD1 O 0.481 -0.114 -3.285 1.00 . A A . 23 ASP OD1 1 1 2 894 1 1 24 ASP OD2 O -0.497 1.750 -3.884 1.00 . A A . 23 ASP OD2 1 1 2 895 1 1 25 LEU C C -1.319 2.598 2.302 1.00 . A A . 24 LEU C 1 1 2 896 1 1 25 LEU CA C -0.305 1.555 1.833 1.00 . A A . 24 LEU CA 1 1 2 897 1 1 25 LEU CB C 0.699 1.196 2.949 1.00 . A A . 24 LEU CB 1 1 2 898 1 1 25 LEU CD1 C -0.513 1.429 5.144 1.00 . A A . 24 LEU CD1 1 1 2 899 1 1 25 LEU CD2 C -0.834 -0.626 3.755 1.00 . A A . 24 LEU CD2 1 1 2 900 1 1 25 LEU CG C 0.145 0.460 4.178 1.00 . A A . 24 LEU CG 1 1 2 901 1 1 25 LEU H H 1.382 2.227 0.749 1.00 . A A . 24 LEU H 1 1 2 902 1 1 25 LEU HA H -0.838 0.664 1.530 1.00 . A A . 24 LEU HA 1 1 2 903 1 1 25 LEU HB2 H 1.475 0.578 2.519 1.00 . A A . 24 LEU HB2 1 1 2 904 1 1 25 LEU HB3 H 1.152 2.114 3.292 1.00 . A A . 24 LEU HB3 1 1 2 905 1 1 25 LEU HD11 H -1.331 1.932 4.647 1.00 . A A . 24 LEU HD11 1 1 2 906 1 1 25 LEU HD12 H 0.213 2.160 5.470 1.00 . A A . 24 LEU HD12 1 1 2 907 1 1 25 LEU HD13 H -0.889 0.888 5.999 1.00 . A A . 24 LEU HD13 1 1 2 908 1 1 25 LEU HD21 H -1.170 -1.168 4.626 1.00 . A A . 24 LEU HD21 1 1 2 909 1 1 25 LEU HD22 H -0.346 -1.305 3.072 1.00 . A A . 24 LEU HD22 1 1 2 910 1 1 25 LEU HD23 H -1.681 -0.173 3.265 1.00 . A A . 24 LEU HD23 1 1 2 911 1 1 25 LEU HG H 0.963 -0.017 4.697 1.00 . A A . 24 LEU HG 1 1 2 912 1 1 25 LEU N N 0.415 2.069 0.675 1.00 . A A . 24 LEU N 1 1 2 913 1 1 25 LEU O O -2.455 2.267 2.645 1.00 . A A . 24 LEU O 1 1 2 914 1 1 26 ALA C C -2.958 5.042 1.660 1.00 . A A . 25 ALA C 1 1 2 915 1 1 26 ALA CA C -1.790 4.964 2.638 1.00 . A A . 25 ALA CA 1 1 2 916 1 1 26 ALA CB C -1.017 6.271 2.645 1.00 . A A . 25 ALA CB 1 1 2 917 1 1 26 ALA H H 0.032 4.054 2.065 1.00 . A A . 25 ALA H 1 1 2 918 1 1 26 ALA HA H -2.172 4.792 3.632 1.00 . A A . 25 ALA HA 1 1 2 919 1 1 26 ALA HB1 H -0.642 6.469 1.651 1.00 . A A . 25 ALA HB1 1 1 2 920 1 1 26 ALA HB2 H -0.190 6.194 3.333 1.00 . A A . 25 ALA HB2 1 1 2 921 1 1 26 ALA HB3 H -1.670 7.073 2.951 1.00 . A A . 25 ALA HB3 1 1 2 922 1 1 26 ALA N N -0.904 3.860 2.296 1.00 . A A . 25 ALA N 1 1 2 923 1 1 26 ALA O O -4.103 5.272 2.054 1.00 . A A . 25 ALA O 1 1 2 924 1 1 27 LYS C C -4.660 3.667 -0.403 1.00 . A A . 26 LYS C 1 1 2 925 1 1 27 LYS CA C -3.684 4.814 -0.653 1.00 . A A . 26 LYS CA 1 1 2 926 1 1 27 LYS CB C -3.041 4.675 -2.036 1.00 . A A . 26 LYS CB 1 1 2 927 1 1 27 LYS CD C -3.363 4.617 -4.533 1.00 . A A . 26 LYS CD 1 1 2 928 1 1 27 LYS CE C -2.574 5.890 -4.804 1.00 . A A . 26 LYS CE 1 1 2 929 1 1 27 LYS CG C -4.047 4.659 -3.176 1.00 . A A . 26 LYS CG 1 1 2 930 1 1 27 LYS H H -1.720 4.713 0.128 1.00 . A A . 26 LYS H 1 1 2 931 1 1 27 LYS HA H -4.223 5.748 -0.606 1.00 . A A . 26 LYS HA 1 1 2 932 1 1 27 LYS HB2 H -2.364 5.500 -2.188 1.00 . A A . 26 LYS HB2 1 1 2 933 1 1 27 LYS HB3 H -2.482 3.753 -2.067 1.00 . A A . 26 LYS HB3 1 1 2 934 1 1 27 LYS HD2 H -2.688 3.774 -4.560 1.00 . A A . 26 LYS HD2 1 1 2 935 1 1 27 LYS HD3 H -4.116 4.501 -5.299 1.00 . A A . 26 LYS HD3 1 1 2 936 1 1 27 LYS HE2 H -3.243 6.734 -4.736 1.00 . A A . 26 LYS HE2 1 1 2 937 1 1 27 LYS HE3 H -1.801 5.983 -4.057 1.00 . A A . 26 LYS HE3 1 1 2 938 1 1 27 LYS HG2 H -4.677 3.788 -3.076 1.00 . A A . 26 LYS HG2 1 1 2 939 1 1 27 LYS HG3 H -4.653 5.550 -3.117 1.00 . A A . 26 LYS HG3 1 1 2 940 1 1 27 LYS HZ1 H -1.257 5.100 -6.221 1.00 . A A . 26 LYS HZ1 1 1 2 941 1 1 27 LYS HZ2 H -1.451 6.776 -6.324 1.00 . A A . 26 LYS HZ2 1 1 2 942 1 1 27 LYS HZ3 H -2.671 5.749 -6.884 1.00 . A A . 26 LYS HZ3 1 1 2 943 1 1 27 LYS N N -2.658 4.840 0.382 1.00 . A A . 26 LYS N 1 1 2 944 1 1 27 LYS NZ N -1.945 5.878 -6.152 1.00 . A A . 26 LYS NZ 1 1 2 945 1 1 27 LYS O O -5.874 3.822 -0.554 1.00 . A A . 26 LYS O 1 1 2 946 1 1 28 TYR C C -5.865 1.688 1.494 1.00 . A A . 27 TYR C 1 1 2 947 1 1 28 TYR CA C -4.926 1.361 0.341 1.00 . A A . 27 TYR CA 1 1 2 948 1 1 28 TYR CB C -4.013 0.179 0.704 1.00 . A A . 27 TYR CB 1 1 2 949 1 1 28 TYR CD1 C -5.374 -1.948 0.526 1.00 . A A . 27 TYR CD1 1 1 2 950 1 1 28 TYR CD2 C -4.758 -1.194 2.699 1.00 . A A . 27 TYR CD2 1 1 2 951 1 1 28 TYR CE1 C -6.031 -3.029 1.081 1.00 . A A . 27 TYR CE1 1 1 2 952 1 1 28 TYR CE2 C -5.413 -2.274 3.262 1.00 . A A . 27 TYR CE2 1 1 2 953 1 1 28 TYR CG C -4.725 -1.011 1.323 1.00 . A A . 27 TYR CG 1 1 2 954 1 1 28 TYR CZ C -6.013 -3.199 2.468 1.00 . A A . 27 TYR CZ 1 1 2 955 1 1 28 TYR H H -3.138 2.467 0.077 1.00 . A A . 27 TYR H 1 1 2 956 1 1 28 TYR HA H -5.516 1.103 -0.525 1.00 . A A . 27 TYR HA 1 1 2 957 1 1 28 TYR HB2 H -3.517 -0.165 -0.190 1.00 . A A . 27 TYR HB2 1 1 2 958 1 1 28 TYR HB3 H -3.268 0.520 1.405 1.00 . A A . 27 TYR HB3 1 1 2 959 1 1 28 TYR HD1 H -5.360 -1.825 -0.545 1.00 . A A . 27 TYR HD1 1 1 2 960 1 1 28 TYR HD2 H -4.261 -0.478 3.336 1.00 . A A . 27 TYR HD2 1 1 2 961 1 1 28 TYR HE1 H -6.527 -3.744 0.442 1.00 . A A . 27 TYR HE1 1 1 2 962 1 1 28 TYR HE2 H -5.429 -2.394 4.333 1.00 . A A . 27 TYR HE2 1 1 2 963 1 1 28 TYR HH H -7.118 -4.002 3.835 1.00 . A A . 27 TYR HH 1 1 2 964 1 1 28 TYR N N -4.117 2.526 0.002 1.00 . A A . 27 TYR N 1 1 2 965 1 1 28 TYR O O -7.048 1.361 1.449 1.00 . A A . 27 TYR O 1 1 2 966 1 1 28 TYR OH O -6.705 -4.267 3.003 1.00 . A A . 27 TYR OH 1 1 2 967 1 1 29 GLN C C -7.234 3.697 3.299 1.00 . A A . 28 GLN C 1 1 2 968 1 1 29 GLN CA C -6.120 2.729 3.680 1.00 . A A . 28 GLN CA 1 1 2 969 1 1 29 GLN CB C -5.232 3.359 4.757 1.00 . A A . 28 GLN CB 1 1 2 970 1 1 29 GLN CD C -3.422 3.010 6.496 1.00 . A A . 28 GLN CD 1 1 2 971 1 1 29 GLN CG C -4.231 2.389 5.374 1.00 . A A . 28 GLN CG 1 1 2 972 1 1 29 GLN H H -4.380 2.589 2.481 1.00 . A A . 28 GLN H 1 1 2 973 1 1 29 GLN HA H -6.567 1.829 4.075 1.00 . A A . 28 GLN HA 1 1 2 974 1 1 29 GLN HB2 H -4.682 4.180 4.317 1.00 . A A . 28 GLN HB2 1 1 2 975 1 1 29 GLN HB3 H -5.861 3.744 5.546 1.00 . A A . 28 GLN HB3 1 1 2 976 1 1 29 GLN HE21 H -3.494 4.790 5.619 1.00 . A A . 28 GLN HE21 1 1 2 977 1 1 29 GLN HE22 H -2.636 4.724 7.115 1.00 . A A . 28 GLN HE22 1 1 2 978 1 1 29 GLN HG2 H -4.765 1.537 5.769 1.00 . A A . 28 GLN HG2 1 1 2 979 1 1 29 GLN HG3 H -3.548 2.057 4.604 1.00 . A A . 28 GLN HG3 1 1 2 980 1 1 29 GLN N N -5.332 2.350 2.513 1.00 . A A . 28 GLN N 1 1 2 981 1 1 29 GLN NE2 N -3.158 4.303 6.400 1.00 . A A . 28 GLN NE2 1 1 2 982 1 1 29 GLN O O -8.360 3.579 3.786 1.00 . A A . 28 GLN O 1 1 2 983 1 1 29 GLN OE1 O -3.031 2.325 7.443 1.00 . A A . 28 GLN OE1 1 1 2 984 1 1 30 LYS C C -9.062 4.965 1.277 1.00 . A A . 29 LYS C 1 1 2 985 1 1 30 LYS CA C -7.900 5.636 1.998 1.00 . A A . 29 LYS CA 1 1 2 986 1 1 30 LYS CB C -7.261 6.681 1.082 1.00 . A A . 29 LYS CB 1 1 2 987 1 1 30 LYS CD C -7.584 8.779 -0.270 1.00 . A A . 29 LYS CD 1 1 2 988 1 1 30 LYS CE C -8.581 9.832 -0.723 1.00 . A A . 29 LYS CE 1 1 2 989 1 1 30 LYS CG C -8.225 7.782 0.676 1.00 . A A . 29 LYS CG 1 1 2 990 1 1 30 LYS H H -6.005 4.692 2.076 1.00 . A A . 29 LYS H 1 1 2 991 1 1 30 LYS HA H -8.280 6.129 2.879 1.00 . A A . 29 LYS HA 1 1 2 992 1 1 30 LYS HB2 H -6.425 7.132 1.595 1.00 . A A . 29 LYS HB2 1 1 2 993 1 1 30 LYS HB3 H -6.905 6.192 0.185 1.00 . A A . 29 LYS HB3 1 1 2 994 1 1 30 LYS HD2 H -6.765 9.268 0.237 1.00 . A A . 29 LYS HD2 1 1 2 995 1 1 30 LYS HD3 H -7.211 8.252 -1.134 1.00 . A A . 29 LYS HD3 1 1 2 996 1 1 30 LYS HE2 H -8.099 10.484 -1.434 1.00 . A A . 29 LYS HE2 1 1 2 997 1 1 30 LYS HE3 H -9.414 9.338 -1.197 1.00 . A A . 29 LYS HE3 1 1 2 998 1 1 30 LYS HG2 H -9.078 7.337 0.185 1.00 . A A . 29 LYS HG2 1 1 2 999 1 1 30 LYS HG3 H -8.551 8.304 1.564 1.00 . A A . 29 LYS HG3 1 1 2 1000 1 1 30 LYS HZ1 H -9.574 10.043 1.101 1.00 . A A . 29 LYS HZ1 1 1 2 1001 1 1 30 LYS HZ2 H -9.751 11.368 0.069 1.00 . A A . 29 LYS HZ2 1 1 2 1002 1 1 30 LYS HZ3 H -8.292 11.124 0.888 1.00 . A A . 29 LYS HZ3 1 1 2 1003 1 1 30 LYS N N -6.921 4.649 2.430 1.00 . A A . 29 LYS N 1 1 2 1004 1 1 30 LYS NZ N -9.085 10.647 0.413 1.00 . A A . 29 LYS NZ 1 1 2 1005 1 1 30 LYS O O -10.231 5.211 1.589 1.00 . A A . 29 LYS O 1 1 2 1006 1 1 31 ASP C C -10.516 2.445 0.441 1.00 . A A . 30 ASP C 1 1 2 1007 1 1 31 ASP CA C -9.746 3.406 -0.461 1.00 . A A . 30 ASP CA 1 1 2 1008 1 1 31 ASP CB C -9.095 2.652 -1.628 1.00 . A A . 30 ASP CB 1 1 2 1009 1 1 31 ASP CG C -10.107 2.151 -2.642 1.00 . A A . 30 ASP CG 1 1 2 1010 1 1 31 ASP H H -7.780 3.952 0.125 1.00 . A A . 30 ASP H 1 1 2 1011 1 1 31 ASP HA H -10.433 4.141 -0.853 1.00 . A A . 30 ASP HA 1 1 2 1012 1 1 31 ASP HB2 H -8.409 3.314 -2.137 1.00 . A A . 30 ASP HB2 1 1 2 1013 1 1 31 ASP HB3 H -8.551 1.803 -1.240 1.00 . A A . 30 ASP HB3 1 1 2 1014 1 1 31 ASP N N -8.732 4.114 0.316 1.00 . A A . 30 ASP N 1 1 2 1015 1 1 31 ASP O O -11.728 2.274 0.301 1.00 . A A . 30 ASP O 1 1 2 1016 1 1 31 ASP OD1 O -10.567 0.996 -2.505 1.00 . A A . 30 ASP OD1 1 1 2 1017 1 1 31 ASP OD2 O -10.462 2.907 -3.567 1.00 . A A . 30 ASP OD2 1 1 2 1018 1 1 32 LEU C C -11.426 1.629 3.218 1.00 . A A . 31 LEU C 1 1 2 1019 1 1 32 LEU CA C -10.389 0.925 2.354 1.00 . A A . 31 LEU CA 1 1 2 1020 1 1 32 LEU CB C -9.283 0.330 3.231 1.00 . A A . 31 LEU CB 1 1 2 1021 1 1 32 LEU CD1 C -10.437 -1.859 3.691 1.00 . A A . 31 LEU CD1 1 1 2 1022 1 1 32 LEU CD2 C -8.529 -1.112 5.115 1.00 . A A . 31 LEU CD2 1 1 2 1023 1 1 32 LEU CG C -9.731 -0.661 4.307 1.00 . A A . 31 LEU CG 1 1 2 1024 1 1 32 LEU H H -8.835 2.021 1.429 1.00 . A A . 31 LEU H 1 1 2 1025 1 1 32 LEU HA H -10.873 0.133 1.806 1.00 . A A . 31 LEU HA 1 1 2 1026 1 1 32 LEU HB2 H -8.573 -0.172 2.590 1.00 . A A . 31 LEU HB2 1 1 2 1027 1 1 32 LEU HB3 H -8.774 1.146 3.724 1.00 . A A . 31 LEU HB3 1 1 2 1028 1 1 32 LEU HD11 H -10.689 -2.564 4.468 1.00 . A A . 31 LEU HD11 1 1 2 1029 1 1 32 LEU HD12 H -9.784 -2.331 2.973 1.00 . A A . 31 LEU HD12 1 1 2 1030 1 1 32 LEU HD13 H -11.340 -1.531 3.198 1.00 . A A . 31 LEU HD13 1 1 2 1031 1 1 32 LEU HD21 H -8.077 -0.255 5.594 1.00 . A A . 31 LEU HD21 1 1 2 1032 1 1 32 LEU HD22 H -7.807 -1.577 4.458 1.00 . A A . 31 LEU HD22 1 1 2 1033 1 1 32 LEU HD23 H -8.843 -1.820 5.866 1.00 . A A . 31 LEU HD23 1 1 2 1034 1 1 32 LEU HG H -10.422 -0.170 4.976 1.00 . A A . 31 LEU HG 1 1 2 1035 1 1 32 LEU N N -9.801 1.845 1.385 1.00 . A A . 31 LEU N 1 1 2 1036 1 1 32 LEU O O -12.470 1.060 3.535 1.00 . A A . 31 LEU O 1 1 2 1037 1 1 33 ALA C C -13.354 3.903 3.634 1.00 . A A . 32 ALA C 1 1 2 1038 1 1 33 ALA CA C -12.053 3.669 4.386 1.00 . A A . 32 ALA CA 1 1 2 1039 1 1 33 ALA CB C -11.414 4.997 4.746 1.00 . A A . 32 ALA CB 1 1 2 1040 1 1 33 ALA H H -10.271 3.252 3.331 1.00 . A A . 32 ALA H 1 1 2 1041 1 1 33 ALA HA H -12.262 3.136 5.299 1.00 . A A . 32 ALA HA 1 1 2 1042 1 1 33 ALA HB1 H -10.473 4.819 5.243 1.00 . A A . 32 ALA HB1 1 1 2 1043 1 1 33 ALA HB2 H -12.072 5.547 5.402 1.00 . A A . 32 ALA HB2 1 1 2 1044 1 1 33 ALA HB3 H -11.244 5.567 3.845 1.00 . A A . 32 ALA HB3 1 1 2 1045 1 1 33 ALA N N -11.134 2.868 3.592 1.00 . A A . 32 ALA N 1 1 2 1046 1 1 33 ALA O O -14.439 3.859 4.212 1.00 . A A . 32 ALA O 1 1 2 1047 1 1 34 ASP C C -15.174 3.124 1.218 1.00 . A A . 33 ASP C 1 1 2 1048 1 1 34 ASP CA C -14.387 4.406 1.487 1.00 . A A . 33 ASP CA 1 1 2 1049 1 1 34 ASP CB C -13.938 5.040 0.165 1.00 . A A . 33 ASP CB 1 1 2 1050 1 1 34 ASP CG C -15.096 5.345 -0.769 1.00 . A A . 33 ASP CG 1 1 2 1051 1 1 34 ASP H H -12.334 4.138 1.938 1.00 . A A . 33 ASP H 1 1 2 1052 1 1 34 ASP HA H -15.024 5.101 2.011 1.00 . A A . 33 ASP HA 1 1 2 1053 1 1 34 ASP HB2 H -13.419 5.963 0.374 1.00 . A A . 33 ASP HB2 1 1 2 1054 1 1 34 ASP HB3 H -13.264 4.361 -0.340 1.00 . A A . 33 ASP HB3 1 1 2 1055 1 1 34 ASP N N -13.231 4.140 2.336 1.00 . A A . 33 ASP N 1 1 2 1056 1 1 34 ASP O O -16.381 3.162 0.975 1.00 . A A . 33 ASP O 1 1 2 1057 1 1 34 ASP OD1 O -15.317 4.569 -1.722 1.00 . A A . 33 ASP OD1 1 1 2 1058 1 1 34 ASP OD2 O -15.780 6.372 -0.566 1.00 . A A . 33 ASP OD2 1 1 2 1059 1 1 35 TYR C C -16.005 0.263 2.157 1.00 . A A . 34 TYR C 1 1 2 1060 1 1 35 TYR CA C -15.097 0.697 1.008 1.00 . A A . 34 TYR CA 1 1 2 1061 1 1 35 TYR CB C -14.009 -0.355 0.766 1.00 . A A . 34 TYR CB 1 1 2 1062 1 1 35 TYR CD1 C -14.958 -1.687 -1.157 1.00 . A A . 34 TYR CD1 1 1 2 1063 1 1 35 TYR CD2 C -14.570 -2.808 0.908 1.00 . A A . 34 TYR CD2 1 1 2 1064 1 1 35 TYR CE1 C -15.426 -2.863 -1.710 1.00 . A A . 34 TYR CE1 1 1 2 1065 1 1 35 TYR CE2 C -15.036 -3.987 0.363 1.00 . A A . 34 TYR CE2 1 1 2 1066 1 1 35 TYR CG C -14.521 -1.640 0.158 1.00 . A A . 34 TYR CG 1 1 2 1067 1 1 35 TYR CZ C -15.458 -4.000 -0.974 1.00 . A A . 34 TYR CZ 1 1 2 1068 1 1 35 TYR H H -13.540 2.024 1.547 1.00 . A A . 34 TYR H 1 1 2 1069 1 1 35 TYR HA H -15.690 0.798 0.113 1.00 . A A . 34 TYR HA 1 1 2 1070 1 1 35 TYR HB2 H -13.268 0.053 0.098 1.00 . A A . 34 TYR HB2 1 1 2 1071 1 1 35 TYR HB3 H -13.541 -0.596 1.708 1.00 . A A . 34 TYR HB3 1 1 2 1072 1 1 35 TYR HD1 H -14.927 -0.789 -1.755 1.00 . A A . 34 TYR HD1 1 1 2 1073 1 1 35 TYR HD2 H -14.236 -2.787 1.934 1.00 . A A . 34 TYR HD2 1 1 2 1074 1 1 35 TYR HE1 H -15.762 -2.879 -2.734 1.00 . A A . 34 TYR HE1 1 1 2 1075 1 1 35 TYR HE2 H -15.067 -4.881 0.965 1.00 . A A . 34 TYR HE2 1 1 2 1076 1 1 35 TYR HH H -16.418 -5.682 -0.826 1.00 . A A . 34 TYR HH 1 1 2 1077 1 1 35 TYR N N -14.487 1.990 1.290 1.00 . A A . 34 TYR N 1 1 2 1078 1 1 35 TYR O O -15.552 -0.317 3.145 1.00 . A A . 34 TYR O 1 1 2 1079 1 1 35 TYR OH O -15.925 -5.188 -1.496 1.00 . A A . 34 TYR OH 1 1 2 1080 1 1 36 NH2 HN1 H -17.583 1.014 1.215 1.00 . A A . 35 NH2 HN1 1 1 2 1081 1 1 36 NH2 HN2 H -17.900 0.286 2.751 1.00 . A A . 35 NH2 HN2 1 1 2 1082 1 1 36 NH2 N N -17.292 0.548 2.027 1.00 . A A . 35 NH2 N 1 1 3 1083 1 1 1 ACE C C -13.725 -2.358 -4.302 1.00 . A A . 0 ACE C 1 1 3 1084 1 1 1 ACE CH3 C -14.332 -1.228 -3.521 1.00 . A A . 0 ACE CH3 1 1 3 1085 1 1 1 ACE H1 H -14.561 -0.417 -4.204 1.00 . A A . 0 ACE H1 1 1 3 1086 1 1 1 ACE H2 H -13.633 -0.886 -2.782 1.00 . A A . 0 ACE H2 1 1 3 1087 1 1 1 ACE H3 H -15.229 -1.590 -3.031 1.00 . A A . 0 ACE H3 1 1 3 1088 1 1 1 ACE O O -13.234 -2.161 -5.414 1.00 . A A . 0 ACE O 1 1 3 1089 1 1 2 PRO C C -11.370 -3.771 -3.014 1.00 . A A . 1 PRO C 1 1 3 1090 1 1 2 PRO CA C -12.837 -3.920 -2.621 1.00 . A A . 1 PRO CA 1 1 3 1091 1 1 2 PRO CB C -13.174 -5.390 -2.328 1.00 . A A . 1 PRO CB 1 1 3 1092 1 1 2 PRO CD C -14.622 -4.674 -4.093 1.00 . A A . 1 PRO CD 1 1 3 1093 1 1 2 PRO CG C -13.926 -5.876 -3.517 1.00 . A A . 1 PRO CG 1 1 3 1094 1 1 2 PRO HA H -13.038 -3.319 -1.747 1.00 . A A . 1 PRO HA 1 1 3 1095 1 1 2 PRO HB2 H -12.261 -5.955 -2.191 1.00 . A A . 1 PRO HB2 1 1 3 1096 1 1 2 PRO HB3 H -13.790 -5.458 -1.446 1.00 . A A . 1 PRO HB3 1 1 3 1097 1 1 2 PRO HD2 H -14.708 -4.758 -5.165 1.00 . A A . 1 PRO HD2 1 1 3 1098 1 1 2 PRO HD3 H -15.595 -4.544 -3.643 1.00 . A A . 1 PRO HD3 1 1 3 1099 1 1 2 PRO HG2 H -13.235 -6.297 -4.235 1.00 . A A . 1 PRO HG2 1 1 3 1100 1 1 2 PRO HG3 H -14.653 -6.616 -3.215 1.00 . A A . 1 PRO HG3 1 1 3 1101 1 1 2 PRO N N -13.729 -3.567 -3.726 1.00 . A A . 1 PRO N 1 1 3 1102 1 1 2 PRO O O -10.893 -4.440 -3.933 1.00 . A A . 1 PRO O 1 1 3 1103 1 1 3 PRO C C -8.312 -3.757 -2.320 1.00 . A A . 2 PRO C 1 1 3 1104 1 1 3 PRO CA C -9.242 -2.596 -2.657 1.00 . A A . 2 PRO CA 1 1 3 1105 1 1 3 PRO CB C -8.913 -1.383 -1.790 1.00 . A A . 2 PRO CB 1 1 3 1106 1 1 3 PRO CD C -11.114 -2.084 -1.179 1.00 . A A . 2 PRO CD 1 1 3 1107 1 1 3 PRO CG C -9.852 -1.464 -0.640 1.00 . A A . 2 PRO CG 1 1 3 1108 1 1 3 PRO HA H -9.129 -2.335 -3.700 1.00 . A A . 2 PRO HA 1 1 3 1109 1 1 3 PRO HB2 H -7.883 -1.438 -1.457 1.00 . A A . 2 PRO HB2 1 1 3 1110 1 1 3 PRO HB3 H -9.081 -0.474 -2.345 1.00 . A A . 2 PRO HB3 1 1 3 1111 1 1 3 PRO HD2 H -11.573 -2.718 -0.432 1.00 . A A . 2 PRO HD2 1 1 3 1112 1 1 3 PRO HD3 H -11.805 -1.318 -1.500 1.00 . A A . 2 PRO HD3 1 1 3 1113 1 1 3 PRO HG2 H -9.423 -2.086 0.134 1.00 . A A . 2 PRO HG2 1 1 3 1114 1 1 3 PRO HG3 H -10.057 -0.475 -0.261 1.00 . A A . 2 PRO HG3 1 1 3 1115 1 1 3 PRO N N -10.640 -2.880 -2.328 1.00 . A A . 2 PRO N 1 1 3 1116 1 1 3 PRO O O -8.458 -4.409 -1.287 1.00 . A A . 2 PRO O 1 1 3 1117 1 1 4 THR C C -5.132 -4.490 -2.362 1.00 . A A . 3 THR C 1 1 3 1118 1 1 4 THR CA C -6.392 -5.063 -3.001 1.00 . A A . 3 THR CA 1 1 3 1119 1 1 4 THR CB C -6.042 -5.727 -4.343 1.00 . A A . 3 THR CB 1 1 3 1120 1 1 4 THR CG2 C -5.213 -6.982 -4.137 1.00 . A A . 3 THR CG2 1 1 3 1121 1 1 4 THR H H -7.312 -3.468 -4.017 1.00 . A A . 3 THR H 1 1 3 1122 1 1 4 THR HA H -6.817 -5.808 -2.346 1.00 . A A . 3 THR HA 1 1 3 1123 1 1 4 THR HB H -5.472 -5.029 -4.935 1.00 . A A . 3 THR HB 1 1 3 1124 1 1 4 THR HG1 H -7.857 -5.309 -5.002 1.00 . A A . 3 THR HG1 1 1 3 1125 1 1 4 THR HG21 H -5.779 -7.694 -3.553 1.00 . A A . 3 THR HG21 1 1 3 1126 1 1 4 THR HG22 H -4.303 -6.730 -3.613 1.00 . A A . 3 THR HG22 1 1 3 1127 1 1 4 THR HG23 H -4.970 -7.414 -5.095 1.00 . A A . 3 THR HG23 1 1 3 1128 1 1 4 THR N N -7.363 -4.011 -3.202 1.00 . A A . 3 THR N 1 1 3 1129 1 1 4 THR O O -4.753 -3.349 -2.643 1.00 . A A . 3 THR O 1 1 3 1130 1 1 4 THR OG1 O -7.249 -6.061 -5.043 1.00 . A A . 3 THR OG1 1 1 3 1131 1 1 5 LYS C C -2.160 -4.726 -1.884 1.00 . A A . 4 LYS C 1 1 3 1132 1 1 5 LYS CA C -3.274 -4.835 -0.846 1.00 . A A . 4 LYS CA 1 1 3 1133 1 1 5 LYS CB C -2.874 -5.811 0.266 1.00 . A A . 4 LYS CB 1 1 3 1134 1 1 5 LYS CD C -3.388 -6.701 2.567 1.00 . A A . 4 LYS CD 1 1 3 1135 1 1 5 LYS CE C -3.081 -8.147 2.206 1.00 . A A . 4 LYS CE 1 1 3 1136 1 1 5 LYS CG C -3.901 -5.903 1.381 1.00 . A A . 4 LYS CG 1 1 3 1137 1 1 5 LYS H H -4.883 -6.144 -1.269 1.00 . A A . 4 LYS H 1 1 3 1138 1 1 5 LYS HA H -3.452 -3.862 -0.415 1.00 . A A . 4 LYS HA 1 1 3 1139 1 1 5 LYS HB2 H -2.752 -6.796 -0.164 1.00 . A A . 4 LYS HB2 1 1 3 1140 1 1 5 LYS HB3 H -1.935 -5.489 0.693 1.00 . A A . 4 LYS HB3 1 1 3 1141 1 1 5 LYS HD2 H -2.484 -6.236 2.928 1.00 . A A . 4 LYS HD2 1 1 3 1142 1 1 5 LYS HD3 H -4.136 -6.685 3.347 1.00 . A A . 4 LYS HD3 1 1 3 1143 1 1 5 LYS HE2 H -2.370 -8.159 1.396 1.00 . A A . 4 LYS HE2 1 1 3 1144 1 1 5 LYS HE3 H -2.651 -8.634 3.068 1.00 . A A . 4 LYS HE3 1 1 3 1145 1 1 5 LYS HG2 H -4.143 -4.905 1.716 1.00 . A A . 4 LYS HG2 1 1 3 1146 1 1 5 LYS HG3 H -4.788 -6.378 0.995 1.00 . A A . 4 LYS HG3 1 1 3 1147 1 1 5 LYS HZ1 H -4.721 -8.450 0.949 1.00 . A A . 4 LYS HZ1 1 1 3 1148 1 1 5 LYS HZ2 H -5.002 -8.889 2.556 1.00 . A A . 4 LYS HZ2 1 1 3 1149 1 1 5 LYS HZ3 H -4.056 -9.876 1.563 1.00 . A A . 4 LYS HZ3 1 1 3 1150 1 1 5 LYS N N -4.507 -5.263 -1.486 1.00 . A A . 4 LYS N 1 1 3 1151 1 1 5 LYS NZ N -4.299 -8.890 1.788 1.00 . A A . 4 LYS NZ 1 1 3 1152 1 1 5 LYS O O -2.159 -5.468 -2.869 1.00 . A A . 4 LYS O 1 1 3 1153 1 1 6 PRO C C 0.812 -4.754 -2.773 1.00 . A A . 5 PRO C 1 1 3 1154 1 1 6 PRO CA C -0.138 -3.571 -2.669 1.00 . A A . 5 PRO CA 1 1 3 1155 1 1 6 PRO CB C 0.607 -2.343 -2.132 1.00 . A A . 5 PRO CB 1 1 3 1156 1 1 6 PRO CD C -1.065 -2.924 -0.517 1.00 . A A . 5 PRO CD 1 1 3 1157 1 1 6 PRO CG C -0.248 -1.779 -1.047 1.00 . A A . 5 PRO CG 1 1 3 1158 1 1 6 PRO HA H -0.539 -3.352 -3.647 1.00 . A A . 5 PRO HA 1 1 3 1159 1 1 6 PRO HB2 H 1.572 -2.646 -1.745 1.00 . A A . 5 PRO HB2 1 1 3 1160 1 1 6 PRO HB3 H 0.732 -1.614 -2.919 1.00 . A A . 5 PRO HB3 1 1 3 1161 1 1 6 PRO HD2 H -0.537 -3.428 0.282 1.00 . A A . 5 PRO HD2 1 1 3 1162 1 1 6 PRO HD3 H -2.031 -2.577 -0.176 1.00 . A A . 5 PRO HD3 1 1 3 1163 1 1 6 PRO HG2 H 0.381 -1.367 -0.265 1.00 . A A . 5 PRO HG2 1 1 3 1164 1 1 6 PRO HG3 H -0.899 -1.017 -1.452 1.00 . A A . 5 PRO HG3 1 1 3 1165 1 1 6 PRO N N -1.204 -3.802 -1.693 1.00 . A A . 5 PRO N 1 1 3 1166 1 1 6 PRO O O 1.279 -5.280 -1.762 1.00 . A A . 5 PRO O 1 1 3 1167 1 1 7 THR C C 3.453 -5.793 -3.997 1.00 . A A . 6 THR C 1 1 3 1168 1 1 7 THR CA C 2.021 -6.257 -4.246 1.00 . A A . 6 THR CA 1 1 3 1169 1 1 7 THR CB C 1.881 -6.766 -5.692 1.00 . A A . 6 THR CB 1 1 3 1170 1 1 7 THR CG2 C 2.659 -8.056 -5.897 1.00 . A A . 6 THR CG2 1 1 3 1171 1 1 7 THR H H 0.657 -4.733 -4.764 1.00 . A A . 6 THR H 1 1 3 1172 1 1 7 THR HA H 1.785 -7.064 -3.572 1.00 . A A . 6 THR HA 1 1 3 1173 1 1 7 THR HB H 2.272 -6.014 -6.357 1.00 . A A . 6 THR HB 1 1 3 1174 1 1 7 THR HG1 H 0.033 -7.243 -5.184 1.00 . A A . 6 THR HG1 1 1 3 1175 1 1 7 THR HG21 H 3.707 -7.877 -5.708 1.00 . A A . 6 THR HG21 1 1 3 1176 1 1 7 THR HG22 H 2.528 -8.398 -6.912 1.00 . A A . 6 THR HG22 1 1 3 1177 1 1 7 THR HG23 H 2.293 -8.807 -5.214 1.00 . A A . 6 THR HG23 1 1 3 1178 1 1 7 THR N N 1.092 -5.169 -3.999 1.00 . A A . 6 THR N 1 1 3 1179 1 1 7 THR O O 4.371 -6.602 -3.848 1.00 . A A . 6 THR O 1 1 3 1180 1 1 7 THR OG1 O 0.498 -6.990 -5.993 1.00 . A A . 6 THR OG1 1 1 3 1181 1 1 8 LYS C C 5.529 -4.319 -2.396 1.00 . A A . 7 LYS C 1 1 3 1182 1 1 8 LYS CA C 4.912 -3.855 -3.714 1.00 . A A . 7 LYS CA 1 1 3 1183 1 1 8 LYS CB C 4.758 -2.333 -3.718 1.00 . A A . 7 LYS CB 1 1 3 1184 1 1 8 LYS CD C 3.970 -0.284 -4.950 1.00 . A A . 7 LYS CD 1 1 3 1185 1 1 8 LYS CE C 3.344 0.244 -6.233 1.00 . A A . 7 LYS CE 1 1 3 1186 1 1 8 LYS CG C 4.144 -1.794 -5.000 1.00 . A A . 7 LYS CG 1 1 3 1187 1 1 8 LYS H H 2.833 -3.905 -4.039 1.00 . A A . 7 LYS H 1 1 3 1188 1 1 8 LYS HA H 5.561 -4.144 -4.522 1.00 . A A . 7 LYS HA 1 1 3 1189 1 1 8 LYS HB2 H 4.127 -2.045 -2.892 1.00 . A A . 7 LYS HB2 1 1 3 1190 1 1 8 LYS HB3 H 5.732 -1.884 -3.592 1.00 . A A . 7 LYS HB3 1 1 3 1191 1 1 8 LYS HD2 H 3.328 -0.031 -4.117 1.00 . A A . 7 LYS HD2 1 1 3 1192 1 1 8 LYS HD3 H 4.938 0.177 -4.814 1.00 . A A . 7 LYS HD3 1 1 3 1193 1 1 8 LYS HE2 H 2.341 -0.146 -6.318 1.00 . A A . 7 LYS HE2 1 1 3 1194 1 1 8 LYS HE3 H 3.306 1.324 -6.181 1.00 . A A . 7 LYS HE3 1 1 3 1195 1 1 8 LYS HG2 H 4.794 -2.040 -5.828 1.00 . A A . 7 LYS HG2 1 1 3 1196 1 1 8 LYS HG3 H 3.177 -2.257 -5.148 1.00 . A A . 7 LYS HG3 1 1 3 1197 1 1 8 LYS HZ1 H 4.100 -1.189 -7.554 1.00 . A A . 7 LYS HZ1 1 1 3 1198 1 1 8 LYS HZ2 H 5.111 0.148 -7.343 1.00 . A A . 7 LYS HZ2 1 1 3 1199 1 1 8 LYS HZ3 H 3.719 0.286 -8.288 1.00 . A A . 7 LYS HZ3 1 1 3 1200 1 1 8 LYS N N 3.616 -4.477 -3.934 1.00 . A A . 7 LYS N 1 1 3 1201 1 1 8 LYS NZ N 4.121 -0.155 -7.437 1.00 . A A . 7 LYS NZ 1 1 3 1202 1 1 8 LYS O O 4.823 -4.524 -1.407 1.00 . A A . 7 LYS O 1 1 3 1203 1 1 9 PRO C C 7.621 -3.935 -0.083 1.00 . A A . 8 PRO C 1 1 3 1204 1 1 9 PRO CA C 7.572 -4.977 -1.197 1.00 . A A . 8 PRO CA 1 1 3 1205 1 1 9 PRO CB C 8.976 -5.264 -1.724 1.00 . A A . 8 PRO CB 1 1 3 1206 1 1 9 PRO CD C 7.760 -4.259 -3.518 1.00 . A A . 8 PRO CD 1 1 3 1207 1 1 9 PRO CG C 9.131 -4.379 -2.908 1.00 . A A . 8 PRO CG 1 1 3 1208 1 1 9 PRO HA H 7.136 -5.887 -0.815 1.00 . A A . 8 PRO HA 1 1 3 1209 1 1 9 PRO HB2 H 9.708 -5.029 -0.964 1.00 . A A . 8 PRO HB2 1 1 3 1210 1 1 9 PRO HB3 H 9.058 -6.295 -2.018 1.00 . A A . 8 PRO HB3 1 1 3 1211 1 1 9 PRO HD2 H 7.606 -3.267 -3.922 1.00 . A A . 8 PRO HD2 1 1 3 1212 1 1 9 PRO HD3 H 7.619 -5.008 -4.286 1.00 . A A . 8 PRO HD3 1 1 3 1213 1 1 9 PRO HG2 H 9.492 -3.409 -2.591 1.00 . A A . 8 PRO HG2 1 1 3 1214 1 1 9 PRO HG3 H 9.815 -4.823 -3.615 1.00 . A A . 8 PRO HG3 1 1 3 1215 1 1 9 PRO N N 6.854 -4.501 -2.379 1.00 . A A . 8 PRO N 1 1 3 1216 1 1 9 PRO O O 7.908 -2.761 -0.325 1.00 . A A . 8 PRO O 1 1 3 1217 1 1 10 GLY C C 8.036 -4.081 3.481 1.00 . A A . 9 GLY C 1 1 3 1218 1 1 10 GLY CA C 7.358 -3.476 2.270 1.00 . A A . 9 GLY CA 1 1 3 1219 1 1 10 GLY H H 7.109 -5.318 1.260 1.00 . A A . 9 GLY H 1 1 3 1220 1 1 10 GLY HA2 H 7.882 -2.575 1.991 1.00 . A A . 9 GLY HA2 1 1 3 1221 1 1 10 GLY HA3 H 6.343 -3.223 2.530 1.00 . A A . 9 GLY HA3 1 1 3 1222 1 1 10 GLY N N 7.340 -4.374 1.134 1.00 . A A . 9 GLY N 1 1 3 1223 1 1 10 GLY O O 8.111 -3.456 4.540 1.00 . A A . 9 GLY O 1 1 3 1224 1 1 11 ASP C C 10.668 -5.696 4.482 1.00 . A A . 10 ASP C 1 1 3 1225 1 1 11 ASP CA C 9.179 -6.000 4.433 1.00 . A A . 10 ASP CA 1 1 3 1226 1 1 11 ASP CB C 8.958 -7.514 4.323 1.00 . A A . 10 ASP CB 1 1 3 1227 1 1 11 ASP CG C 7.502 -7.909 4.473 1.00 . A A . 10 ASP CG 1 1 3 1228 1 1 11 ASP H H 8.493 -5.722 2.446 1.00 . A A . 10 ASP H 1 1 3 1229 1 1 11 ASP HA H 8.727 -5.649 5.346 1.00 . A A . 10 ASP HA 1 1 3 1230 1 1 11 ASP HB2 H 9.304 -7.853 3.359 1.00 . A A . 10 ASP HB2 1 1 3 1231 1 1 11 ASP HB3 H 9.527 -8.010 5.096 1.00 . A A . 10 ASP HB3 1 1 3 1232 1 1 11 ASP N N 8.542 -5.294 3.326 1.00 . A A . 10 ASP N 1 1 3 1233 1 1 11 ASP O O 11.129 -4.939 5.333 1.00 . A A . 10 ASP O 1 1 3 1234 1 1 11 ASP OD1 O 7.090 -8.265 5.596 1.00 . A A . 10 ASP OD1 1 1 3 1235 1 1 11 ASP OD2 O 6.758 -7.857 3.471 1.00 . A A . 10 ASP OD2 1 1 3 1236 1 1 12 ASN C C 13.267 -5.217 2.343 1.00 . A A . 11 ASN C 1 1 3 1237 1 1 12 ASN CA C 12.863 -6.095 3.517 1.00 . A A . 11 ASN CA 1 1 3 1238 1 1 12 ASN CB C 13.579 -7.448 3.421 1.00 . A A . 11 ASN CB 1 1 3 1239 1 1 12 ASN CG C 13.513 -8.254 4.709 1.00 . A A . 11 ASN CG 1 1 3 1240 1 1 12 ASN H H 10.981 -6.825 2.869 1.00 . A A . 11 ASN H 1 1 3 1241 1 1 12 ASN HA H 13.159 -5.606 4.431 1.00 . A A . 11 ASN HA 1 1 3 1242 1 1 12 ASN HB2 H 13.126 -8.031 2.634 1.00 . A A . 11 ASN HB2 1 1 3 1243 1 1 12 ASN HB3 H 14.617 -7.276 3.179 1.00 . A A . 11 ASN HB3 1 1 3 1244 1 1 12 ASN HD21 H 15.278 -9.081 4.317 1.00 . A A . 11 ASN HD21 1 1 3 1245 1 1 12 ASN HD22 H 14.526 -9.578 5.791 1.00 . A A . 11 ASN HD22 1 1 3 1246 1 1 12 ASN N N 11.414 -6.271 3.553 1.00 . A A . 11 ASN N 1 1 3 1247 1 1 12 ASN ND2 N 14.539 -9.051 4.963 1.00 . A A . 11 ASN ND2 1 1 3 1248 1 1 12 ASN O O 14.373 -5.328 1.818 1.00 . A A . 11 ASN O 1 1 3 1249 1 1 12 ASN OD1 O 12.551 -8.159 5.474 1.00 . A A . 11 ASN OD1 1 1 3 1250 1 1 13 ALA C C 13.482 -2.261 1.275 1.00 . A A . 12 ALA C 1 1 3 1251 1 1 13 ALA CA C 12.613 -3.430 0.838 1.00 . A A . 12 ALA CA 1 1 3 1252 1 1 13 ALA CB C 11.298 -2.924 0.278 1.00 . A A . 12 ALA CB 1 1 3 1253 1 1 13 ALA H H 11.508 -4.295 2.411 1.00 . A A . 12 ALA H 1 1 3 1254 1 1 13 ALA HA H 13.122 -3.976 0.061 1.00 . A A . 12 ALA HA 1 1 3 1255 1 1 13 ALA HB1 H 10.646 -3.761 0.087 1.00 . A A . 12 ALA HB1 1 1 3 1256 1 1 13 ALA HB2 H 11.481 -2.391 -0.641 1.00 . A A . 12 ALA HB2 1 1 3 1257 1 1 13 ALA HB3 H 10.832 -2.262 0.995 1.00 . A A . 12 ALA HB3 1 1 3 1258 1 1 13 ALA N N 12.364 -4.338 1.944 1.00 . A A . 12 ALA N 1 1 3 1259 1 1 13 ALA O O 13.609 -1.982 2.470 1.00 . A A . 12 ALA O 1 1 3 1260 1 1 14 THR C C 14.056 0.710 1.148 1.00 . A A . 13 THR C 1 1 3 1261 1 1 14 THR CA C 14.903 -0.424 0.583 1.00 . A A . 13 THR CA 1 1 3 1262 1 1 14 THR CB C 15.633 0.047 -0.687 1.00 . A A . 13 THR CB 1 1 3 1263 1 1 14 THR CG2 C 16.684 -0.968 -1.099 1.00 . A A . 13 THR CG2 1 1 3 1264 1 1 14 THR H H 13.958 -1.874 -0.623 1.00 . A A . 13 THR H 1 1 3 1265 1 1 14 THR HA H 15.644 -0.703 1.317 1.00 . A A . 13 THR HA 1 1 3 1266 1 1 14 THR HB H 16.125 0.982 -0.473 1.00 . A A . 13 THR HB 1 1 3 1267 1 1 14 THR HG1 H 14.792 -0.484 -2.393 1.00 . A A . 13 THR HG1 1 1 3 1268 1 1 14 THR HG21 H 17.181 -0.628 -1.996 1.00 . A A . 13 THR HG21 1 1 3 1269 1 1 14 THR HG22 H 16.207 -1.919 -1.288 1.00 . A A . 13 THR HG22 1 1 3 1270 1 1 14 THR HG23 H 17.407 -1.079 -0.305 1.00 . A A . 13 THR HG23 1 1 3 1271 1 1 14 THR N N 14.078 -1.585 0.306 1.00 . A A . 13 THR N 1 1 3 1272 1 1 14 THR O O 12.872 0.817 0.837 1.00 . A A . 13 THR O 1 1 3 1273 1 1 14 THR OG1 O 14.700 0.239 -1.758 1.00 . A A . 13 THR OG1 1 1 3 1274 1 1 15 PRO C C 13.233 3.575 1.643 1.00 . A A . 14 PRO C 1 1 3 1275 1 1 15 PRO CA C 13.936 2.666 2.645 1.00 . A A . 14 PRO CA 1 1 3 1276 1 1 15 PRO CB C 15.040 3.427 3.392 1.00 . A A . 14 PRO CB 1 1 3 1277 1 1 15 PRO CD C 16.063 1.529 2.377 1.00 . A A . 14 PRO CD 1 1 3 1278 1 1 15 PRO CG C 16.320 2.941 2.818 1.00 . A A . 14 PRO CG 1 1 3 1279 1 1 15 PRO HA H 13.213 2.296 3.352 1.00 . A A . 14 PRO HA 1 1 3 1280 1 1 15 PRO HB2 H 14.928 4.490 3.228 1.00 . A A . 14 PRO HB2 1 1 3 1281 1 1 15 PRO HB3 H 15.002 3.204 4.445 1.00 . A A . 14 PRO HB3 1 1 3 1282 1 1 15 PRO HD2 H 16.687 1.275 1.534 1.00 . A A . 14 PRO HD2 1 1 3 1283 1 1 15 PRO HD3 H 16.221 0.838 3.191 1.00 . A A . 14 PRO HD3 1 1 3 1284 1 1 15 PRO HG2 H 16.597 3.565 1.974 1.00 . A A . 14 PRO HG2 1 1 3 1285 1 1 15 PRO HG3 H 17.090 2.958 3.575 1.00 . A A . 14 PRO HG3 1 1 3 1286 1 1 15 PRO N N 14.649 1.566 1.991 1.00 . A A . 14 PRO N 1 1 3 1287 1 1 15 PRO O O 12.140 4.080 1.907 1.00 . A A . 14 PRO O 1 1 3 1288 1 1 16 GLU C C 12.022 3.882 -1.116 1.00 . A A . 15 GLU C 1 1 3 1289 1 1 16 GLU CA C 13.273 4.565 -0.572 1.00 . A A . 15 GLU CA 1 1 3 1290 1 1 16 GLU CB C 14.290 4.779 -1.688 1.00 . A A . 15 GLU CB 1 1 3 1291 1 1 16 GLU CD C 14.757 5.726 -3.968 1.00 . A A . 15 GLU CD 1 1 3 1292 1 1 16 GLU CG C 13.723 5.511 -2.890 1.00 . A A . 15 GLU CG 1 1 3 1293 1 1 16 GLU H H 14.745 3.363 0.352 1.00 . A A . 15 GLU H 1 1 3 1294 1 1 16 GLU HA H 12.998 5.519 -0.159 1.00 . A A . 15 GLU HA 1 1 3 1295 1 1 16 GLU HB2 H 15.119 5.354 -1.296 1.00 . A A . 15 GLU HB2 1 1 3 1296 1 1 16 GLU HB3 H 14.656 3.817 -2.015 1.00 . A A . 15 GLU HB3 1 1 3 1297 1 1 16 GLU HG2 H 12.909 4.932 -3.303 1.00 . A A . 15 GLU HG2 1 1 3 1298 1 1 16 GLU HG3 H 13.353 6.471 -2.568 1.00 . A A . 15 GLU HG3 1 1 3 1299 1 1 16 GLU N N 13.861 3.771 0.492 1.00 . A A . 15 GLU N 1 1 3 1300 1 1 16 GLU O O 10.992 4.523 -1.342 1.00 . A A . 15 GLU O 1 1 3 1301 1 1 16 GLU OE1 O 15.248 4.727 -4.535 1.00 . A A . 15 GLU OE1 1 1 3 1302 1 1 16 GLU OE2 O 15.081 6.895 -4.256 1.00 . A A . 15 GLU OE2 1 1 3 1303 1 1 17 LYS C C 9.908 1.719 -0.760 1.00 . A A . 16 LYS C 1 1 3 1304 1 1 17 LYS CA C 11.012 1.780 -1.805 1.00 . A A . 16 LYS CA 1 1 3 1305 1 1 17 LYS CB C 11.490 0.367 -2.153 1.00 . A A . 16 LYS CB 1 1 3 1306 1 1 17 LYS CD C 10.102 0.016 -4.220 1.00 . A A . 16 LYS CD 1 1 3 1307 1 1 17 LYS CE C 9.183 -0.940 -4.963 1.00 . A A . 16 LYS CE 1 1 3 1308 1 1 17 LYS CG C 10.439 -0.500 -2.831 1.00 . A A . 16 LYS CG 1 1 3 1309 1 1 17 LYS H H 12.960 2.122 -1.076 1.00 . A A . 16 LYS H 1 1 3 1310 1 1 17 LYS HA H 10.631 2.261 -2.692 1.00 . A A . 16 LYS HA 1 1 3 1311 1 1 17 LYS HB2 H 12.343 0.440 -2.815 1.00 . A A . 16 LYS HB2 1 1 3 1312 1 1 17 LYS HB3 H 11.797 -0.126 -1.242 1.00 . A A . 16 LYS HB3 1 1 3 1313 1 1 17 LYS HD2 H 9.608 0.972 -4.128 1.00 . A A . 16 LYS HD2 1 1 3 1314 1 1 17 LYS HD3 H 11.016 0.133 -4.783 1.00 . A A . 16 LYS HD3 1 1 3 1315 1 1 17 LYS HE2 H 9.638 -1.919 -4.974 1.00 . A A . 16 LYS HE2 1 1 3 1316 1 1 17 LYS HE3 H 8.238 -0.989 -4.442 1.00 . A A . 16 LYS HE3 1 1 3 1317 1 1 17 LYS HG2 H 10.816 -1.508 -2.915 1.00 . A A . 16 LYS HG2 1 1 3 1318 1 1 17 LYS HG3 H 9.543 -0.498 -2.228 1.00 . A A . 16 LYS HG3 1 1 3 1319 1 1 17 LYS HZ1 H 9.847 -0.405 -6.867 1.00 . A A . 16 LYS HZ1 1 1 3 1320 1 1 17 LYS HZ2 H 8.459 0.417 -6.371 1.00 . A A . 16 LYS HZ2 1 1 3 1321 1 1 17 LYS HZ3 H 8.354 -1.195 -6.860 1.00 . A A . 16 LYS HZ3 1 1 3 1322 1 1 17 LYS N N 12.121 2.573 -1.301 1.00 . A A . 16 LYS N 1 1 3 1323 1 1 17 LYS NZ N 8.944 -0.501 -6.361 1.00 . A A . 16 LYS NZ 1 1 3 1324 1 1 17 LYS O O 8.724 1.757 -1.089 1.00 . A A . 16 LYS O 1 1 3 1325 1 1 18 LEU C C 8.563 2.913 1.646 1.00 . A A . 17 LEU C 1 1 3 1326 1 1 18 LEU CA C 9.372 1.630 1.612 1.00 . A A . 17 LEU CA 1 1 3 1327 1 1 18 LEU CB C 10.106 1.447 2.938 1.00 . A A . 17 LEU CB 1 1 3 1328 1 1 18 LEU CD1 C 11.461 0.017 4.477 1.00 . A A . 17 LEU CD1 1 1 3 1329 1 1 18 LEU CD2 C 9.810 -1.032 2.928 1.00 . A A . 17 LEU CD2 1 1 3 1330 1 1 18 LEU CG C 10.803 0.102 3.113 1.00 . A A . 17 LEU CG 1 1 3 1331 1 1 18 LEU H H 11.273 1.564 0.694 1.00 . A A . 17 LEU H 1 1 3 1332 1 1 18 LEU HA H 8.702 0.799 1.467 1.00 . A A . 17 LEU HA 1 1 3 1333 1 1 18 LEU HB2 H 10.846 2.226 3.021 1.00 . A A . 17 LEU HB2 1 1 3 1334 1 1 18 LEU HB3 H 9.393 1.566 3.739 1.00 . A A . 17 LEU HB3 1 1 3 1335 1 1 18 LEU HD11 H 10.705 0.080 5.244 1.00 . A A . 17 LEU HD11 1 1 3 1336 1 1 18 LEU HD12 H 12.157 0.833 4.591 1.00 . A A . 17 LEU HD12 1 1 3 1337 1 1 18 LEU HD13 H 11.987 -0.920 4.565 1.00 . A A . 17 LEU HD13 1 1 3 1338 1 1 18 LEU HD21 H 9.462 -1.043 1.904 1.00 . A A . 17 LEU HD21 1 1 3 1339 1 1 18 LEU HD22 H 8.971 -0.886 3.591 1.00 . A A . 17 LEU HD22 1 1 3 1340 1 1 18 LEU HD23 H 10.291 -1.972 3.154 1.00 . A A . 17 LEU HD23 1 1 3 1341 1 1 18 LEU HG H 11.573 0.001 2.360 1.00 . A A . 17 LEU HG 1 1 3 1342 1 1 18 LEU N N 10.311 1.639 0.504 1.00 . A A . 17 LEU N 1 1 3 1343 1 1 18 LEU O O 7.373 2.892 1.938 1.00 . A A . 17 LEU O 1 1 3 1344 1 1 19 ALA C C 7.456 5.312 0.230 1.00 . A A . 18 ALA C 1 1 3 1345 1 1 19 ALA CA C 8.538 5.312 1.299 1.00 . A A . 18 ALA CA 1 1 3 1346 1 1 19 ALA CB C 9.538 6.423 1.045 1.00 . A A . 18 ALA CB 1 1 3 1347 1 1 19 ALA H H 10.170 3.985 1.143 1.00 . A A . 18 ALA H 1 1 3 1348 1 1 19 ALA HA H 8.081 5.479 2.262 1.00 . A A . 18 ALA HA 1 1 3 1349 1 1 19 ALA HB1 H 10.005 6.269 0.084 1.00 . A A . 18 ALA HB1 1 1 3 1350 1 1 19 ALA HB2 H 10.291 6.413 1.819 1.00 . A A . 18 ALA HB2 1 1 3 1351 1 1 19 ALA HB3 H 9.027 7.374 1.049 1.00 . A A . 18 ALA HB3 1 1 3 1352 1 1 19 ALA N N 9.211 4.027 1.341 1.00 . A A . 18 ALA N 1 1 3 1353 1 1 19 ALA O O 6.351 5.815 0.445 1.00 . A A . 18 ALA O 1 1 3 1354 1 1 20 LYS C C 5.724 3.620 -1.632 1.00 . A A . 19 LYS C 1 1 3 1355 1 1 20 LYS CA C 6.814 4.617 -2.003 1.00 . A A . 19 LYS CA 1 1 3 1356 1 1 20 LYS CB C 7.511 4.188 -3.295 1.00 . A A . 19 LYS CB 1 1 3 1357 1 1 20 LYS CD C 5.988 5.527 -4.783 1.00 . A A . 19 LYS CD 1 1 3 1358 1 1 20 LYS CE C 5.121 5.510 -6.031 1.00 . A A . 19 LYS CE 1 1 3 1359 1 1 20 LYS CG C 6.594 4.161 -4.508 1.00 . A A . 19 LYS CG 1 1 3 1360 1 1 20 LYS H H 8.681 4.374 -1.042 1.00 . A A . 19 LYS H 1 1 3 1361 1 1 20 LYS HA H 6.365 5.586 -2.146 1.00 . A A . 19 LYS HA 1 1 3 1362 1 1 20 LYS HB2 H 8.317 4.874 -3.496 1.00 . A A . 19 LYS HB2 1 1 3 1363 1 1 20 LYS HB3 H 7.920 3.199 -3.157 1.00 . A A . 19 LYS HB3 1 1 3 1364 1 1 20 LYS HD2 H 5.380 5.816 -3.941 1.00 . A A . 19 LYS HD2 1 1 3 1365 1 1 20 LYS HD3 H 6.785 6.243 -4.918 1.00 . A A . 19 LYS HD3 1 1 3 1366 1 1 20 LYS HE2 H 5.736 5.248 -6.879 1.00 . A A . 19 LYS HE2 1 1 3 1367 1 1 20 LYS HE3 H 4.346 4.768 -5.906 1.00 . A A . 19 LYS HE3 1 1 3 1368 1 1 20 LYS HG2 H 7.164 3.852 -5.370 1.00 . A A . 19 LYS HG2 1 1 3 1369 1 1 20 LYS HG3 H 5.797 3.453 -4.328 1.00 . A A . 19 LYS HG3 1 1 3 1370 1 1 20 LYS HZ1 H 3.865 7.086 -5.491 1.00 . A A . 19 LYS HZ1 1 1 3 1371 1 1 20 LYS HZ2 H 3.928 6.802 -7.156 1.00 . A A . 19 LYS HZ2 1 1 3 1372 1 1 20 LYS HZ3 H 5.221 7.565 -6.379 1.00 . A A . 19 LYS HZ3 1 1 3 1373 1 1 20 LYS N N 7.775 4.731 -0.920 1.00 . A A . 19 LYS N 1 1 3 1374 1 1 20 LYS NZ N 4.491 6.832 -6.282 1.00 . A A . 19 LYS NZ 1 1 3 1375 1 1 20 LYS O O 4.548 3.831 -1.932 1.00 . A A . 19 LYS O 1 1 3 1376 1 1 21 TYR C C 4.206 2.182 0.508 1.00 . A A . 20 TYR C 1 1 3 1377 1 1 21 TYR CA C 5.167 1.552 -0.489 1.00 . A A . 20 TYR CA 1 1 3 1378 1 1 21 TYR CB C 5.883 0.359 0.155 1.00 . A A . 20 TYR CB 1 1 3 1379 1 1 21 TYR CD1 C 4.175 -1.504 0.062 1.00 . A A . 20 TYR CD1 1 1 3 1380 1 1 21 TYR CD2 C 4.820 -0.677 2.205 1.00 . A A . 20 TYR CD2 1 1 3 1381 1 1 21 TYR CE1 C 3.329 -2.416 0.663 1.00 . A A . 20 TYR CE1 1 1 3 1382 1 1 21 TYR CE2 C 3.972 -1.586 2.812 1.00 . A A . 20 TYR CE2 1 1 3 1383 1 1 21 TYR CG C 4.936 -0.620 0.821 1.00 . A A . 20 TYR CG 1 1 3 1384 1 1 21 TYR CZ C 3.163 -2.380 2.049 1.00 . A A . 20 TYR CZ 1 1 3 1385 1 1 21 TYR H H 7.079 2.400 -0.809 1.00 . A A . 20 TYR H 1 1 3 1386 1 1 21 TYR HA H 4.599 1.204 -1.340 1.00 . A A . 20 TYR HA 1 1 3 1387 1 1 21 TYR HB2 H 6.435 -0.174 -0.606 1.00 . A A . 20 TYR HB2 1 1 3 1388 1 1 21 TYR HB3 H 6.569 0.724 0.905 1.00 . A A . 20 TYR HB3 1 1 3 1389 1 1 21 TYR HD1 H 4.250 -1.472 -1.013 1.00 . A A . 20 TYR HD1 1 1 3 1390 1 1 21 TYR HD2 H 5.400 0.004 2.810 1.00 . A A . 20 TYR HD2 1 1 3 1391 1 1 21 TYR HE1 H 2.747 -3.094 0.057 1.00 . A A . 20 TYR HE1 1 1 3 1392 1 1 21 TYR HE2 H 3.894 -1.615 3.890 1.00 . A A . 20 TYR HE2 1 1 3 1393 1 1 21 TYR HH H 1.958 -2.954 3.393 1.00 . A A . 20 TYR HH 1 1 3 1394 1 1 21 TYR N N 6.118 2.541 -0.969 1.00 . A A . 20 TYR N 1 1 3 1395 1 1 21 TYR O O 3.005 1.967 0.432 1.00 . A A . 20 TYR O 1 1 3 1396 1 1 21 TYR OH O 2.395 -3.367 2.640 1.00 . A A . 20 TYR OH 1 1 3 1397 1 1 22 GLN C C 2.966 4.625 1.770 1.00 . A A . 21 GLN C 1 1 3 1398 1 1 22 GLN CA C 3.923 3.645 2.431 1.00 . A A . 21 GLN CA 1 1 3 1399 1 1 22 GLN CB C 4.802 4.367 3.452 1.00 . A A . 21 GLN CB 1 1 3 1400 1 1 22 GLN CD C 6.520 4.141 5.299 1.00 . A A . 21 GLN CD 1 1 3 1401 1 1 22 GLN CG C 5.582 3.418 4.352 1.00 . A A . 21 GLN CG 1 1 3 1402 1 1 22 GLN H H 5.718 3.094 1.450 1.00 . A A . 21 GLN H 1 1 3 1403 1 1 22 GLN HA H 3.342 2.894 2.941 1.00 . A A . 21 GLN HA 1 1 3 1404 1 1 22 GLN HB2 H 5.508 4.992 2.925 1.00 . A A . 21 GLN HB2 1 1 3 1405 1 1 22 GLN HB3 H 4.178 4.988 4.074 1.00 . A A . 21 GLN HB3 1 1 3 1406 1 1 22 GLN HE21 H 7.747 2.576 5.318 1.00 . A A . 21 GLN HE21 1 1 3 1407 1 1 22 GLN HE22 H 8.238 3.924 6.281 1.00 . A A . 21 GLN HE22 1 1 3 1408 1 1 22 GLN HG2 H 4.882 2.840 4.935 1.00 . A A . 21 GLN HG2 1 1 3 1409 1 1 22 GLN HG3 H 6.164 2.755 3.729 1.00 . A A . 21 GLN HG3 1 1 3 1410 1 1 22 GLN N N 4.742 2.969 1.433 1.00 . A A . 21 GLN N 1 1 3 1411 1 1 22 GLN NE2 N 7.611 3.483 5.669 1.00 . A A . 21 GLN NE2 1 1 3 1412 1 1 22 GLN O O 1.844 4.817 2.236 1.00 . A A . 21 GLN O 1 1 3 1413 1 1 22 GLN OE1 O 6.263 5.275 5.704 1.00 . A A . 21 GLN OE1 1 1 3 1414 1 1 23 ALA C C 1.453 5.406 -0.790 1.00 . A A . 22 ALA C 1 1 3 1415 1 1 23 ALA CA C 2.579 6.149 -0.077 1.00 . A A . 22 ALA CA 1 1 3 1416 1 1 23 ALA CB C 3.428 6.917 -1.075 1.00 . A A . 22 ALA CB 1 1 3 1417 1 1 23 ALA H H 4.323 5.046 0.368 1.00 . A A . 22 ALA H 1 1 3 1418 1 1 23 ALA HA H 2.151 6.852 0.619 1.00 . A A . 22 ALA HA 1 1 3 1419 1 1 23 ALA HB1 H 2.805 7.609 -1.621 1.00 . A A . 22 ALA HB1 1 1 3 1420 1 1 23 ALA HB2 H 3.886 6.222 -1.764 1.00 . A A . 22 ALA HB2 1 1 3 1421 1 1 23 ALA HB3 H 4.197 7.461 -0.548 1.00 . A A . 22 ALA HB3 1 1 3 1422 1 1 23 ALA N N 3.409 5.225 0.676 1.00 . A A . 22 ALA N 1 1 3 1423 1 1 23 ALA O O 0.306 5.859 -0.810 1.00 . A A . 22 ALA O 1 1 3 1424 1 1 24 ASP C C -0.124 2.749 -1.070 1.00 . A A . 23 ASP C 1 1 3 1425 1 1 24 ASP CA C 0.791 3.451 -2.070 1.00 . A A . 23 ASP CA 1 1 3 1426 1 1 24 ASP CB C 1.478 2.423 -2.975 1.00 . A A . 23 ASP CB 1 1 3 1427 1 1 24 ASP CG C 0.492 1.679 -3.852 1.00 . A A . 23 ASP CG 1 1 3 1428 1 1 24 ASP H H 2.713 3.947 -1.316 1.00 . A A . 23 ASP H 1 1 3 1429 1 1 24 ASP HA H 0.195 4.117 -2.676 1.00 . A A . 23 ASP HA 1 1 3 1430 1 1 24 ASP HB2 H 2.188 2.930 -3.615 1.00 . A A . 23 ASP HB2 1 1 3 1431 1 1 24 ASP HB3 H 2.001 1.703 -2.359 1.00 . A A . 23 ASP HB3 1 1 3 1432 1 1 24 ASP N N 1.780 4.257 -1.363 1.00 . A A . 23 ASP N 1 1 3 1433 1 1 24 ASP O O -1.324 2.592 -1.305 1.00 . A A . 23 ASP O 1 1 3 1434 1 1 24 ASP OD1 O 0.131 0.533 -3.507 1.00 . A A . 23 ASP OD1 1 1 3 1435 1 1 24 ASP OD2 O 0.070 2.234 -4.885 1.00 . A A . 23 ASP OD2 1 1 3 1436 1 1 25 LEU C C -1.277 2.782 1.704 1.00 . A A . 24 LEU C 1 1 3 1437 1 1 25 LEU CA C -0.304 1.755 1.147 1.00 . A A . 24 LEU CA 1 1 3 1438 1 1 25 LEU CB C 0.632 1.264 2.261 1.00 . A A . 24 LEU CB 1 1 3 1439 1 1 25 LEU CD1 C -0.752 -0.661 3.081 1.00 . A A . 24 LEU CD1 1 1 3 1440 1 1 25 LEU CD2 C 0.935 0.395 4.592 1.00 . A A . 24 LEU CD2 1 1 3 1441 1 1 25 LEU CG C -0.064 0.636 3.471 1.00 . A A . 24 LEU CG 1 1 3 1442 1 1 25 LEU H H 1.433 2.428 0.143 1.00 . A A . 24 LEU H 1 1 3 1443 1 1 25 LEU HA H -0.865 0.918 0.757 1.00 . A A . 24 LEU HA 1 1 3 1444 1 1 25 LEU HB2 H 1.307 0.531 1.842 1.00 . A A . 24 LEU HB2 1 1 3 1445 1 1 25 LEU HB3 H 1.213 2.103 2.608 1.00 . A A . 24 LEU HB3 1 1 3 1446 1 1 25 LEU HD11 H -1.328 -1.028 3.917 1.00 . A A . 24 LEU HD11 1 1 3 1447 1 1 25 LEU HD12 H -0.008 -1.394 2.808 1.00 . A A . 24 LEU HD12 1 1 3 1448 1 1 25 LEU HD13 H -1.406 -0.484 2.242 1.00 . A A . 24 LEU HD13 1 1 3 1449 1 1 25 LEU HD21 H 1.693 -0.297 4.257 1.00 . A A . 24 LEU HD21 1 1 3 1450 1 1 25 LEU HD22 H 0.423 -0.019 5.448 1.00 . A A . 24 LEU HD22 1 1 3 1451 1 1 25 LEU HD23 H 1.398 1.331 4.867 1.00 . A A . 24 LEU HD23 1 1 3 1452 1 1 25 LEU HG H -0.819 1.316 3.836 1.00 . A A . 24 LEU HG 1 1 3 1453 1 1 25 LEU N N 0.456 2.341 0.052 1.00 . A A . 24 LEU N 1 1 3 1454 1 1 25 LEU O O -2.403 2.450 2.048 1.00 . A A . 24 LEU O 1 1 3 1455 1 1 26 ALA C C -2.899 5.265 1.315 1.00 . A A . 25 ALA C 1 1 3 1456 1 1 26 ALA CA C -1.688 5.123 2.228 1.00 . A A . 25 ALA CA 1 1 3 1457 1 1 26 ALA CB C -0.902 6.420 2.276 1.00 . A A . 25 ALA CB 1 1 3 1458 1 1 26 ALA H H 0.090 4.231 1.510 1.00 . A A . 25 ALA H 1 1 3 1459 1 1 26 ALA HA H -2.022 4.891 3.227 1.00 . A A . 25 ALA HA 1 1 3 1460 1 1 26 ALA HB1 H -0.037 6.291 2.911 1.00 . A A . 25 ALA HB1 1 1 3 1461 1 1 26 ALA HB2 H -1.527 7.206 2.672 1.00 . A A . 25 ALA HB2 1 1 3 1462 1 1 26 ALA HB3 H -0.580 6.680 1.279 1.00 . A A . 25 ALA HB3 1 1 3 1463 1 1 26 ALA N N -0.837 4.034 1.771 1.00 . A A . 25 ALA N 1 1 3 1464 1 1 26 ALA O O -4.012 5.526 1.772 1.00 . A A . 25 ALA O 1 1 3 1465 1 1 27 LYS C C -4.696 3.915 -0.669 1.00 . A A . 26 LYS C 1 1 3 1466 1 1 27 LYS CA C -3.749 5.080 -0.951 1.00 . A A . 26 LYS CA 1 1 3 1467 1 1 27 LYS CB C -3.177 4.992 -2.371 1.00 . A A . 26 LYS CB 1 1 3 1468 1 1 27 LYS CD C -5.198 6.132 -3.361 1.00 . A A . 26 LYS CD 1 1 3 1469 1 1 27 LYS CE C -6.143 6.190 -4.553 1.00 . A A . 26 LYS CE 1 1 3 1470 1 1 27 LYS CG C -4.228 4.967 -3.472 1.00 . A A . 26 LYS CG 1 1 3 1471 1 1 27 LYS H H -1.747 4.955 -0.283 1.00 . A A . 26 LYS H 1 1 3 1472 1 1 27 LYS HA H -4.294 6.006 -0.844 1.00 . A A . 26 LYS HA 1 1 3 1473 1 1 27 LYS HB2 H -2.534 5.841 -2.540 1.00 . A A . 26 LYS HB2 1 1 3 1474 1 1 27 LYS HB3 H -2.587 4.091 -2.451 1.00 . A A . 26 LYS HB3 1 1 3 1475 1 1 27 LYS HD2 H -5.782 6.019 -2.460 1.00 . A A . 26 LYS HD2 1 1 3 1476 1 1 27 LYS HD3 H -4.636 7.053 -3.314 1.00 . A A . 26 LYS HD3 1 1 3 1477 1 1 27 LYS HE2 H -6.900 6.934 -4.359 1.00 . A A . 26 LYS HE2 1 1 3 1478 1 1 27 LYS HE3 H -5.577 6.473 -5.428 1.00 . A A . 26 LYS HE3 1 1 3 1479 1 1 27 LYS HG2 H -3.733 5.017 -4.430 1.00 . A A . 26 LYS HG2 1 1 3 1480 1 1 27 LYS HG3 H -4.782 4.042 -3.401 1.00 . A A . 26 LYS HG3 1 1 3 1481 1 1 27 LYS HZ1 H -7.556 4.997 -5.520 1.00 . A A . 26 LYS HZ1 1 1 3 1482 1 1 27 LYS HZ2 H -7.235 4.512 -3.928 1.00 . A A . 26 LYS HZ2 1 1 3 1483 1 1 27 LYS HZ3 H -6.116 4.192 -5.160 1.00 . A A . 26 LYS HZ3 1 1 3 1484 1 1 27 LYS N N -2.670 5.084 0.023 1.00 . A A . 26 LYS N 1 1 3 1485 1 1 27 LYS NZ N -6.807 4.884 -4.807 1.00 . A A . 26 LYS NZ 1 1 3 1486 1 1 27 LYS O O -5.916 4.077 -0.683 1.00 . A A . 26 LYS O 1 1 3 1487 1 1 28 TYR C C -5.702 1.814 1.248 1.00 . A A . 27 TYR C 1 1 3 1488 1 1 28 TYR CA C -4.898 1.572 -0.025 1.00 . A A . 27 TYR CA 1 1 3 1489 1 1 28 TYR CB C -3.975 0.358 0.157 1.00 . A A . 27 TYR CB 1 1 3 1490 1 1 28 TYR CD1 C -5.477 -1.675 0.074 1.00 . A A . 27 TYR CD1 1 1 3 1491 1 1 28 TYR CD2 C -4.438 -1.133 2.150 1.00 . A A . 27 TYR CD2 1 1 3 1492 1 1 28 TYR CE1 C -6.083 -2.769 0.657 1.00 . A A . 27 TYR CE1 1 1 3 1493 1 1 28 TYR CE2 C -5.043 -2.226 2.739 1.00 . A A . 27 TYR CE2 1 1 3 1494 1 1 28 TYR CG C -4.643 -0.837 0.808 1.00 . A A . 27 TYR CG 1 1 3 1495 1 1 28 TYR CZ C -5.874 -3.020 2.016 1.00 . A A . 27 TYR CZ 1 1 3 1496 1 1 28 TYR H H -3.139 2.694 -0.395 1.00 . A A . 27 TYR H 1 1 3 1497 1 1 28 TYR HA H -5.583 1.374 -0.833 1.00 . A A . 27 TYR HA 1 1 3 1498 1 1 28 TYR HB2 H -3.609 0.046 -0.808 1.00 . A A . 27 TYR HB2 1 1 3 1499 1 1 28 TYR HB3 H -3.140 0.648 0.772 1.00 . A A . 27 TYR HB3 1 1 3 1500 1 1 28 TYR HD1 H -5.648 -1.463 -0.969 1.00 . A A . 27 TYR HD1 1 1 3 1501 1 1 28 TYR HD2 H -3.797 -0.494 2.736 1.00 . A A . 27 TYR HD2 1 1 3 1502 1 1 28 TYR HE1 H -6.728 -3.404 0.070 1.00 . A A . 27 TYR HE1 1 1 3 1503 1 1 28 TYR HE2 H -4.874 -2.438 3.783 1.00 . A A . 27 TYR HE2 1 1 3 1504 1 1 28 TYR HH H -6.719 -3.920 3.475 1.00 . A A . 27 TYR HH 1 1 3 1505 1 1 28 TYR N N -4.120 2.755 -0.377 1.00 . A A . 27 TYR N 1 1 3 1506 1 1 28 TYR O O -6.852 1.402 1.346 1.00 . A A . 27 TYR O 1 1 3 1507 1 1 28 TYR OH O -6.461 -4.137 2.569 1.00 . A A . 27 TYR OH 1 1 3 1508 1 1 29 GLN C C -6.982 3.656 3.245 1.00 . A A . 28 GLN C 1 1 3 1509 1 1 29 GLN CA C -5.748 2.791 3.478 1.00 . A A . 28 GLN CA 1 1 3 1510 1 1 29 GLN CB C -4.790 3.505 4.439 1.00 . A A . 28 GLN CB 1 1 3 1511 1 1 29 GLN CD C -2.629 3.432 5.750 1.00 . A A . 28 GLN CD 1 1 3 1512 1 1 29 GLN CG C -3.560 2.685 4.815 1.00 . A A . 28 GLN CG 1 1 3 1513 1 1 29 GLN H H -4.166 2.785 2.072 1.00 . A A . 28 GLN H 1 1 3 1514 1 1 29 GLN HA H -6.057 1.854 3.917 1.00 . A A . 28 GLN HA 1 1 3 1515 1 1 29 GLN HB2 H -4.455 4.424 3.975 1.00 . A A . 28 GLN HB2 1 1 3 1516 1 1 29 GLN HB3 H -5.325 3.749 5.345 1.00 . A A . 28 GLN HB3 1 1 3 1517 1 1 29 GLN HE21 H -1.985 1.719 6.526 1.00 . A A . 28 GLN HE21 1 1 3 1518 1 1 29 GLN HE22 H -1.282 3.156 7.187 1.00 . A A . 28 GLN HE22 1 1 3 1519 1 1 29 GLN HG2 H -3.881 1.774 5.302 1.00 . A A . 28 GLN HG2 1 1 3 1520 1 1 29 GLN HG3 H -3.015 2.436 3.914 1.00 . A A . 28 GLN HG3 1 1 3 1521 1 1 29 GLN N N -5.091 2.490 2.213 1.00 . A A . 28 GLN N 1 1 3 1522 1 1 29 GLN NE2 N -1.892 2.697 6.569 1.00 . A A . 28 GLN NE2 1 1 3 1523 1 1 29 GLN O O -8.017 3.457 3.883 1.00 . A A . 28 GLN O 1 1 3 1524 1 1 29 GLN OE1 O -2.563 4.664 5.731 1.00 . A A . 28 GLN OE1 1 1 3 1525 1 1 30 LYS C C -9.109 4.648 1.356 1.00 . A A . 29 LYS C 1 1 3 1526 1 1 30 LYS CA C -7.980 5.470 1.961 1.00 . A A . 29 LYS CA 1 1 3 1527 1 1 30 LYS CB C -7.530 6.554 0.976 1.00 . A A . 29 LYS CB 1 1 3 1528 1 1 30 LYS CD C -8.191 8.507 -0.486 1.00 . A A . 29 LYS CD 1 1 3 1529 1 1 30 LYS CE C -7.259 9.527 0.149 1.00 . A A . 29 LYS CE 1 1 3 1530 1 1 30 LYS CG C -8.663 7.464 0.518 1.00 . A A . 29 LYS CG 1 1 3 1531 1 1 30 LYS H H -5.998 4.735 1.881 1.00 . A A . 29 LYS H 1 1 3 1532 1 1 30 LYS HA H -8.337 5.942 2.862 1.00 . A A . 29 LYS HA 1 1 3 1533 1 1 30 LYS HB2 H -6.775 7.163 1.451 1.00 . A A . 29 LYS HB2 1 1 3 1534 1 1 30 LYS HB3 H -7.102 6.079 0.103 1.00 . A A . 29 LYS HB3 1 1 3 1535 1 1 30 LYS HD2 H -7.667 8.008 -1.287 1.00 . A A . 29 LYS HD2 1 1 3 1536 1 1 30 LYS HD3 H -9.053 9.020 -0.885 1.00 . A A . 29 LYS HD3 1 1 3 1537 1 1 30 LYS HE2 H -6.402 9.012 0.554 1.00 . A A . 29 LYS HE2 1 1 3 1538 1 1 30 LYS HE3 H -6.932 10.219 -0.614 1.00 . A A . 29 LYS HE3 1 1 3 1539 1 1 30 LYS HG2 H -9.430 6.861 0.058 1.00 . A A . 29 LYS HG2 1 1 3 1540 1 1 30 LYS HG3 H -9.071 7.969 1.382 1.00 . A A . 29 LYS HG3 1 1 3 1541 1 1 30 LYS HZ1 H -8.227 9.646 1.995 1.00 . A A . 29 LYS HZ1 1 1 3 1542 1 1 30 LYS HZ2 H -8.758 10.788 0.876 1.00 . A A . 29 LYS HZ2 1 1 3 1543 1 1 30 LYS HZ3 H -7.267 10.990 1.645 1.00 . A A . 29 LYS HZ3 1 1 3 1544 1 1 30 LYS N N -6.863 4.608 2.324 1.00 . A A . 29 LYS N 1 1 3 1545 1 1 30 LYS NZ N -7.922 10.290 1.240 1.00 . A A . 29 LYS NZ 1 1 3 1546 1 1 30 LYS O O -10.263 4.764 1.771 1.00 . A A . 29 LYS O 1 1 3 1547 1 1 31 ASP C C -10.348 1.972 0.769 1.00 . A A . 30 ASP C 1 1 3 1548 1 1 31 ASP CA C -9.738 2.924 -0.251 1.00 . A A . 30 ASP CA 1 1 3 1549 1 1 31 ASP CB C -9.091 2.106 -1.374 1.00 . A A . 30 ASP CB 1 1 3 1550 1 1 31 ASP CG C -8.856 2.897 -2.646 1.00 . A A . 30 ASP CG 1 1 3 1551 1 1 31 ASP H H -7.828 3.777 0.089 1.00 . A A . 30 ASP H 1 1 3 1552 1 1 31 ASP HA H -10.521 3.540 -0.668 1.00 . A A . 30 ASP HA 1 1 3 1553 1 1 31 ASP HB2 H -8.138 1.732 -1.031 1.00 . A A . 30 ASP HB2 1 1 3 1554 1 1 31 ASP HB3 H -9.736 1.272 -1.608 1.00 . A A . 30 ASP HB3 1 1 3 1555 1 1 31 ASP N N -8.765 3.806 0.388 1.00 . A A . 30 ASP N 1 1 3 1556 1 1 31 ASP O O -11.552 1.716 0.758 1.00 . A A . 30 ASP O 1 1 3 1557 1 1 31 ASP OD1 O -7.752 3.459 -2.804 1.00 . A A . 30 ASP OD1 1 1 3 1558 1 1 31 ASP OD2 O -9.781 2.990 -3.480 1.00 . A A . 30 ASP OD2 1 1 3 1559 1 1 32 LEU C C -10.902 1.159 3.641 1.00 . A A . 31 LEU C 1 1 3 1560 1 1 32 LEU CA C -9.910 0.514 2.682 1.00 . A A . 31 LEU CA 1 1 3 1561 1 1 32 LEU CB C -8.678 0.029 3.454 1.00 . A A . 31 LEU CB 1 1 3 1562 1 1 32 LEU CD1 C -9.412 -2.350 3.795 1.00 . A A . 31 LEU CD1 1 1 3 1563 1 1 32 LEU CD2 C -7.651 -1.350 5.258 1.00 . A A . 31 LEU CD2 1 1 3 1564 1 1 32 LEU CG C -8.923 -1.079 4.475 1.00 . A A . 31 LEU CG 1 1 3 1565 1 1 32 LEU H H -8.551 1.711 1.587 1.00 . A A . 31 LEU H 1 1 3 1566 1 1 32 LEU HA H -10.384 -0.326 2.203 1.00 . A A . 31 LEU HA 1 1 3 1567 1 1 32 LEU HB2 H -7.948 -0.325 2.739 1.00 . A A . 31 LEU HB2 1 1 3 1568 1 1 32 LEU HB3 H -8.255 0.876 3.977 1.00 . A A . 31 LEU HB3 1 1 3 1569 1 1 32 LEU HD11 H -9.521 -3.131 4.532 1.00 . A A . 31 LEU HD11 1 1 3 1570 1 1 32 LEU HD12 H -8.694 -2.658 3.049 1.00 . A A . 31 LEU HD12 1 1 3 1571 1 1 32 LEU HD13 H -10.364 -2.164 3.324 1.00 . A A . 31 LEU HD13 1 1 3 1572 1 1 32 LEU HD21 H -6.857 -1.608 4.572 1.00 . A A . 31 LEU HD21 1 1 3 1573 1 1 32 LEU HD22 H -7.816 -2.168 5.942 1.00 . A A . 31 LEU HD22 1 1 3 1574 1 1 32 LEU HD23 H -7.375 -0.466 5.812 1.00 . A A . 31 LEU HD23 1 1 3 1575 1 1 32 LEU HG H -9.683 -0.758 5.172 1.00 . A A . 31 LEU HG 1 1 3 1576 1 1 32 LEU N N -9.500 1.455 1.645 1.00 . A A . 31 LEU N 1 1 3 1577 1 1 32 LEU O O -11.940 0.577 3.961 1.00 . A A . 31 LEU O 1 1 3 1578 1 1 33 ALA C C -12.750 3.445 4.307 1.00 . A A . 32 ALA C 1 1 3 1579 1 1 33 ALA CA C -11.432 3.115 4.987 1.00 . A A . 32 ALA CA 1 1 3 1580 1 1 33 ALA CB C -10.738 4.388 5.427 1.00 . A A . 32 ALA CB 1 1 3 1581 1 1 33 ALA H H -9.717 2.757 3.810 1.00 . A A . 32 ALA H 1 1 3 1582 1 1 33 ALA HA H -11.622 2.512 5.859 1.00 . A A . 32 ALA HA 1 1 3 1583 1 1 33 ALA HB1 H -11.357 4.910 6.140 1.00 . A A . 32 ALA HB1 1 1 3 1584 1 1 33 ALA HB2 H -10.570 5.018 4.566 1.00 . A A . 32 ALA HB2 1 1 3 1585 1 1 33 ALA HB3 H -9.791 4.141 5.883 1.00 . A A . 32 ALA HB3 1 1 3 1586 1 1 33 ALA N N -10.571 2.362 4.090 1.00 . A A . 32 ALA N 1 1 3 1587 1 1 33 ALA O O -13.814 3.370 4.916 1.00 . A A . 32 ALA O 1 1 3 1588 1 1 34 ASP C C -14.728 2.898 2.065 1.00 . A A . 33 ASP C 1 1 3 1589 1 1 34 ASP CA C -13.841 4.127 2.243 1.00 . A A . 33 ASP CA 1 1 3 1590 1 1 34 ASP CB C -13.418 4.677 0.878 1.00 . A A . 33 ASP CB 1 1 3 1591 1 1 34 ASP CG C -14.597 4.970 -0.024 1.00 . A A . 33 ASP CG 1 1 3 1592 1 1 34 ASP H H -11.776 3.844 2.614 1.00 . A A . 33 ASP H 1 1 3 1593 1 1 34 ASP HA H -14.395 4.885 2.774 1.00 . A A . 33 ASP HA 1 1 3 1594 1 1 34 ASP HB2 H -12.865 5.591 1.020 1.00 . A A . 33 ASP HB2 1 1 3 1595 1 1 34 ASP HB3 H -12.785 3.953 0.386 1.00 . A A . 33 ASP HB3 1 1 3 1596 1 1 34 ASP N N -12.663 3.798 3.034 1.00 . A A . 33 ASP N 1 1 3 1597 1 1 34 ASP O O -15.955 2.995 2.063 1.00 . A A . 33 ASP O 1 1 3 1598 1 1 34 ASP OD1 O -14.992 4.078 -0.803 1.00 . A A . 33 ASP OD1 1 1 3 1599 1 1 34 ASP OD2 O -15.144 6.089 0.056 1.00 . A A . 33 ASP OD2 1 1 3 1600 1 1 35 TYR C C -15.498 0.078 3.055 1.00 . A A . 34 TYR C 1 1 3 1601 1 1 35 TYR CA C -14.792 0.483 1.763 1.00 . A A . 34 TYR CA 1 1 3 1602 1 1 35 TYR CB C -13.801 -0.603 1.334 1.00 . A A . 34 TYR CB 1 1 3 1603 1 1 35 TYR CD1 C -15.086 -2.138 -0.195 1.00 . A A . 34 TYR CD1 1 1 3 1604 1 1 35 TYR CD2 C -14.390 -2.983 1.919 1.00 . A A . 34 TYR CD2 1 1 3 1605 1 1 35 TYR CE1 C -15.669 -3.351 -0.495 1.00 . A A . 34 TYR CE1 1 1 3 1606 1 1 35 TYR CE2 C -14.970 -4.200 1.627 1.00 . A A . 34 TYR CE2 1 1 3 1607 1 1 35 TYR CG C -14.439 -1.932 1.014 1.00 . A A . 34 TYR CG 1 1 3 1608 1 1 35 TYR CZ C -15.608 -4.380 0.420 1.00 . A A . 34 TYR CZ 1 1 3 1609 1 1 35 TYR H H -13.107 1.742 1.964 1.00 . A A . 34 TYR H 1 1 3 1610 1 1 35 TYR HA H -15.529 0.615 0.985 1.00 . A A . 34 TYR HA 1 1 3 1611 1 1 35 TYR HB2 H -13.275 -0.270 0.452 1.00 . A A . 34 TYR HB2 1 1 3 1612 1 1 35 TYR HB3 H -13.089 -0.760 2.130 1.00 . A A . 34 TYR HB3 1 1 3 1613 1 1 35 TYR HD1 H -15.131 -1.330 -0.909 1.00 . A A . 34 TYR HD1 1 1 3 1614 1 1 35 TYR HD2 H -13.889 -2.839 2.863 1.00 . A A . 34 TYR HD2 1 1 3 1615 1 1 35 TYR HE1 H -16.164 -3.490 -1.443 1.00 . A A . 34 TYR HE1 1 1 3 1616 1 1 35 TYR HE2 H -14.919 -5.005 2.344 1.00 . A A . 34 TYR HE2 1 1 3 1617 1 1 35 TYR HH H -16.769 -5.851 0.862 1.00 . A A . 34 TYR HH 1 1 3 1618 1 1 35 TYR N N -14.088 1.745 1.938 1.00 . A A . 34 TYR N 1 1 3 1619 1 1 35 TYR O O -16.576 -0.516 3.033 1.00 . A A . 34 TYR O 1 1 3 1620 1 1 35 TYR OH O -16.193 -5.591 0.128 1.00 . A A . 34 TYR OH 1 1 3 1621 1 1 36 NH2 HN1 H -14.029 0.881 4.122 1.00 . A A . 35 NH2 HN1 1 1 3 1622 1 1 36 NH2 HN2 H -15.313 0.162 5.028 1.00 . A A . 35 NH2 HN2 1 1 3 1623 1 1 36 NH2 N N -14.886 0.405 4.182 1.00 . A A . 35 NH2 N 1 1 4 1624 1 1 1 ACE C C -13.124 -1.302 -4.705 1.00 . A A . 0 ACE C 1 1 4 1625 1 1 1 ACE CH3 C -13.805 -0.231 -3.902 1.00 . A A . 0 ACE CH3 1 1 4 1626 1 1 1 ACE H1 H -14.125 0.557 -4.575 1.00 . A A . 0 ACE H1 1 1 4 1627 1 1 1 ACE H2 H -13.117 0.170 -3.183 1.00 . A A . 0 ACE H2 1 1 4 1628 1 1 1 ACE H3 H -14.653 -0.673 -3.387 1.00 . A A . 0 ACE H3 1 1 4 1629 1 1 1 ACE O O -12.612 -1.045 -5.795 1.00 . A A . 0 ACE O 1 1 4 1630 1 1 2 PRO C C -10.868 -2.498 -3.093 1.00 . A A . 1 PRO C 1 1 4 1631 1 1 2 PRO CA C -12.346 -2.866 -2.965 1.00 . A A . 1 PRO CA 1 1 4 1632 1 1 2 PRO CB C -12.514 -4.388 -2.841 1.00 . A A . 1 PRO CB 1 1 4 1633 1 1 2 PRO CD C -13.820 -3.692 -4.712 1.00 . A A . 1 PRO CD 1 1 4 1634 1 1 2 PRO CG C -13.034 -4.847 -4.161 1.00 . A A . 1 PRO CG 1 1 4 1635 1 1 2 PRO HA H -12.767 -2.380 -2.094 1.00 . A A . 1 PRO HA 1 1 4 1636 1 1 2 PRO HB2 H -11.558 -4.846 -2.622 1.00 . A A . 1 PRO HB2 1 1 4 1637 1 1 2 PRO HB3 H -13.226 -4.622 -2.065 1.00 . A A . 1 PRO HB3 1 1 4 1638 1 1 2 PRO HD2 H -13.803 -3.694 -5.792 1.00 . A A . 1 PRO HD2 1 1 4 1639 1 1 2 PRO HD3 H -14.837 -3.710 -4.346 1.00 . A A . 1 PRO HD3 1 1 4 1640 1 1 2 PRO HG2 H -12.204 -5.090 -4.815 1.00 . A A . 1 PRO HG2 1 1 4 1641 1 1 2 PRO HG3 H -13.675 -5.704 -4.028 1.00 . A A . 1 PRO HG3 1 1 4 1642 1 1 2 PRO N N -13.097 -2.531 -4.179 1.00 . A A . 1 PRO N 1 1 4 1643 1 1 2 PRO O O -10.284 -2.621 -4.172 1.00 . A A . 1 PRO O 1 1 4 1644 1 1 3 PRO C C -7.909 -2.836 -2.192 1.00 . A A . 2 PRO C 1 1 4 1645 1 1 3 PRO CA C -8.833 -1.639 -2.007 1.00 . A A . 2 PRO CA 1 1 4 1646 1 1 3 PRO CB C -8.624 -1.022 -0.624 1.00 . A A . 2 PRO CB 1 1 4 1647 1 1 3 PRO CD C -10.869 -1.822 -0.680 1.00 . A A . 2 PRO CD 1 1 4 1648 1 1 3 PRO CG C -9.686 -1.617 0.226 1.00 . A A . 2 PRO CG 1 1 4 1649 1 1 3 PRO HA H -8.629 -0.902 -2.769 1.00 . A A . 2 PRO HA 1 1 4 1650 1 1 3 PRO HB2 H -7.638 -1.278 -0.252 1.00 . A A . 2 PRO HB2 1 1 4 1651 1 1 3 PRO HB3 H -8.743 0.049 -0.672 1.00 . A A . 2 PRO HB3 1 1 4 1652 1 1 3 PRO HD2 H -11.432 -2.694 -0.381 1.00 . A A . 2 PRO HD2 1 1 4 1653 1 1 3 PRO HD3 H -11.501 -0.946 -0.681 1.00 . A A . 2 PRO HD3 1 1 4 1654 1 1 3 PRO HG2 H -9.343 -2.563 0.627 1.00 . A A . 2 PRO HG2 1 1 4 1655 1 1 3 PRO HG3 H -9.942 -0.942 1.022 1.00 . A A . 2 PRO HG3 1 1 4 1656 1 1 3 PRO N N -10.248 -2.024 -2.003 1.00 . A A . 2 PRO N 1 1 4 1657 1 1 3 PRO O O -8.099 -3.885 -1.574 1.00 . A A . 2 PRO O 1 1 4 1658 1 1 4 THR C C -4.715 -3.561 -2.438 1.00 . A A . 3 THR C 1 1 4 1659 1 1 4 THR CA C -5.957 -3.731 -3.301 1.00 . A A . 3 THR CA 1 1 4 1660 1 1 4 THR CB C -5.555 -3.744 -4.782 1.00 . A A . 3 THR CB 1 1 4 1661 1 1 4 THR CG2 C -4.699 -4.960 -5.095 1.00 . A A . 3 THR CG2 1 1 4 1662 1 1 4 THR H H -6.795 -1.812 -3.490 1.00 . A A . 3 THR H 1 1 4 1663 1 1 4 THR HA H -6.424 -4.674 -3.065 1.00 . A A . 3 THR HA 1 1 4 1664 1 1 4 THR HB H -4.984 -2.853 -4.994 1.00 . A A . 3 THR HB 1 1 4 1665 1 1 4 THR HG1 H -7.402 -4.314 -5.184 1.00 . A A . 3 THR HG1 1 1 4 1666 1 1 4 THR HG21 H -5.276 -5.858 -4.925 1.00 . A A . 3 THR HG21 1 1 4 1667 1 1 4 THR HG22 H -3.833 -4.963 -4.451 1.00 . A A . 3 THR HG22 1 1 4 1668 1 1 4 THR HG23 H -4.383 -4.923 -6.126 1.00 . A A . 3 THR HG23 1 1 4 1669 1 1 4 THR N N -6.906 -2.673 -3.036 1.00 . A A . 3 THR N 1 1 4 1670 1 1 4 THR O O -4.114 -2.484 -2.400 1.00 . A A . 3 THR O 1 1 4 1671 1 1 4 THR OG1 O -6.732 -3.755 -5.598 1.00 . A A . 3 THR OG1 1 1 4 1672 1 1 5 LYS C C -1.922 -4.424 -1.776 1.00 . A A . 4 LYS C 1 1 4 1673 1 1 5 LYS CA C -3.157 -4.608 -0.904 1.00 . A A . 4 LYS CA 1 1 4 1674 1 1 5 LYS CB C -3.049 -5.911 -0.115 1.00 . A A . 4 LYS CB 1 1 4 1675 1 1 5 LYS CD C -4.126 -7.481 1.510 1.00 . A A . 4 LYS CD 1 1 4 1676 1 1 5 LYS CE C -5.248 -7.676 2.513 1.00 . A A . 4 LYS CE 1 1 4 1677 1 1 5 LYS CG C -4.159 -6.094 0.903 1.00 . A A . 4 LYS CG 1 1 4 1678 1 1 5 LYS H H -4.896 -5.432 -1.775 1.00 . A A . 4 LYS H 1 1 4 1679 1 1 5 LYS HA H -3.236 -3.779 -0.217 1.00 . A A . 4 LYS HA 1 1 4 1680 1 1 5 LYS HB2 H -3.087 -6.740 -0.808 1.00 . A A . 4 LYS HB2 1 1 4 1681 1 1 5 LYS HB3 H -2.103 -5.927 0.408 1.00 . A A . 4 LYS HB3 1 1 4 1682 1 1 5 LYS HD2 H -4.227 -8.213 0.723 1.00 . A A . 4 LYS HD2 1 1 4 1683 1 1 5 LYS HD3 H -3.180 -7.619 2.013 1.00 . A A . 4 LYS HD3 1 1 4 1684 1 1 5 LYS HE2 H -5.084 -7.013 3.350 1.00 . A A . 4 LYS HE2 1 1 4 1685 1 1 5 LYS HE3 H -6.185 -7.427 2.039 1.00 . A A . 4 LYS HE3 1 1 4 1686 1 1 5 LYS HG2 H -4.036 -5.366 1.689 1.00 . A A . 4 LYS HG2 1 1 4 1687 1 1 5 LYS HG3 H -5.110 -5.945 0.415 1.00 . A A . 4 LYS HG3 1 1 4 1688 1 1 5 LYS HZ1 H -6.086 -9.175 3.693 1.00 . A A . 4 LYS HZ1 1 1 4 1689 1 1 5 LYS HZ2 H -4.417 -9.331 3.475 1.00 . A A . 4 LYS HZ2 1 1 4 1690 1 1 5 LYS HZ3 H -5.475 -9.728 2.217 1.00 . A A . 4 LYS HZ3 1 1 4 1691 1 1 5 LYS N N -4.350 -4.619 -1.732 1.00 . A A . 4 LYS N 1 1 4 1692 1 1 5 LYS NZ N -5.311 -9.074 3.008 1.00 . A A . 4 LYS NZ 1 1 4 1693 1 1 5 LYS O O -1.809 -5.053 -2.829 1.00 . A A . 4 LYS O 1 1 4 1694 1 1 6 PRO C C 1.001 -4.568 -2.404 1.00 . A A . 5 PRO C 1 1 4 1695 1 1 6 PRO CA C 0.229 -3.288 -2.119 1.00 . A A . 5 PRO CA 1 1 4 1696 1 1 6 PRO CB C 1.041 -2.355 -1.216 1.00 . A A . 5 PRO CB 1 1 4 1697 1 1 6 PRO CD C -1.070 -2.719 -0.152 1.00 . A A . 5 PRO CD 1 1 4 1698 1 1 6 PRO CG C 0.374 -2.395 0.115 1.00 . A A . 5 PRO CG 1 1 4 1699 1 1 6 PRO HA H 0.018 -2.791 -3.054 1.00 . A A . 5 PRO HA 1 1 4 1700 1 1 6 PRO HB2 H 2.062 -2.711 -1.149 1.00 . A A . 5 PRO HB2 1 1 4 1701 1 1 6 PRO HB3 H 1.021 -1.350 -1.611 1.00 . A A . 5 PRO HB3 1 1 4 1702 1 1 6 PRO HD2 H -1.494 -3.277 0.673 1.00 . A A . 5 PRO HD2 1 1 4 1703 1 1 6 PRO HD3 H -1.637 -1.815 -0.333 1.00 . A A . 5 PRO HD3 1 1 4 1704 1 1 6 PRO HG2 H 0.829 -3.166 0.729 1.00 . A A . 5 PRO HG2 1 1 4 1705 1 1 6 PRO HG3 H 0.456 -1.432 0.594 1.00 . A A . 5 PRO HG3 1 1 4 1706 1 1 6 PRO N N -0.997 -3.542 -1.368 1.00 . A A . 5 PRO N 1 1 4 1707 1 1 6 PRO O O 1.504 -5.231 -1.492 1.00 . A A . 5 PRO O 1 1 4 1708 1 1 7 THR C C 3.261 -5.825 -4.204 1.00 . A A . 6 THR C 1 1 4 1709 1 1 7 THR CA C 1.763 -6.107 -4.118 1.00 . A A . 6 THR CA 1 1 4 1710 1 1 7 THR CB C 1.232 -6.558 -5.487 1.00 . A A . 6 THR CB 1 1 4 1711 1 1 7 THR CG2 C 1.692 -7.968 -5.818 1.00 . A A . 6 THR CG2 1 1 4 1712 1 1 7 THR H H 0.606 -4.365 -4.346 1.00 . A A . 6 THR H 1 1 4 1713 1 1 7 THR HA H 1.587 -6.893 -3.403 1.00 . A A . 6 THR HA 1 1 4 1714 1 1 7 THR HB H 1.605 -5.884 -6.242 1.00 . A A . 6 THR HB 1 1 4 1715 1 1 7 THR HG1 H -0.526 -6.661 -4.584 1.00 . A A . 6 THR HG1 1 1 4 1716 1 1 7 THR HG21 H 2.770 -7.995 -5.848 1.00 . A A . 6 THR HG21 1 1 4 1717 1 1 7 THR HG22 H 1.297 -8.258 -6.780 1.00 . A A . 6 THR HG22 1 1 4 1718 1 1 7 THR HG23 H 1.336 -8.648 -5.061 1.00 . A A . 6 THR HG23 1 1 4 1719 1 1 7 THR N N 1.060 -4.920 -3.677 1.00 . A A . 6 THR N 1 1 4 1720 1 1 7 THR O O 4.083 -6.742 -4.251 1.00 . A A . 6 THR O 1 1 4 1721 1 1 7 THR OG1 O -0.203 -6.515 -5.484 1.00 . A A . 6 THR OG1 1 1 4 1722 1 1 8 LYS C C 5.760 -4.611 -3.051 1.00 . A A . 7 LYS C 1 1 4 1723 1 1 8 LYS CA C 4.985 -4.098 -4.263 1.00 . A A . 7 LYS CA 1 1 4 1724 1 1 8 LYS CB C 5.047 -2.569 -4.318 1.00 . A A . 7 LYS CB 1 1 4 1725 1 1 8 LYS CD C 5.070 -2.413 -6.835 1.00 . A A . 7 LYS CD 1 1 4 1726 1 1 8 LYS CE C 4.360 -1.873 -8.069 1.00 . A A . 7 LYS CE 1 1 4 1727 1 1 8 LYS CG C 4.379 -1.973 -5.548 1.00 . A A . 7 LYS CG 1 1 4 1728 1 1 8 LYS H H 2.887 -3.868 -4.179 1.00 . A A . 7 LYS H 1 1 4 1729 1 1 8 LYS HA H 5.429 -4.498 -5.159 1.00 . A A . 7 LYS HA 1 1 4 1730 1 1 8 LYS HB2 H 4.562 -2.171 -3.440 1.00 . A A . 7 LYS HB2 1 1 4 1731 1 1 8 LYS HB3 H 6.082 -2.264 -4.314 1.00 . A A . 7 LYS HB3 1 1 4 1732 1 1 8 LYS HD2 H 6.086 -2.047 -6.831 1.00 . A A . 7 LYS HD2 1 1 4 1733 1 1 8 LYS HD3 H 5.076 -3.493 -6.879 1.00 . A A . 7 LYS HD3 1 1 4 1734 1 1 8 LYS HE2 H 4.389 -0.794 -8.043 1.00 . A A . 7 LYS HE2 1 1 4 1735 1 1 8 LYS HE3 H 4.877 -2.225 -8.950 1.00 . A A . 7 LYS HE3 1 1 4 1736 1 1 8 LYS HG2 H 3.347 -2.297 -5.576 1.00 . A A . 7 LYS HG2 1 1 4 1737 1 1 8 LYS HG3 H 4.418 -0.896 -5.478 1.00 . A A . 7 LYS HG3 1 1 4 1738 1 1 8 LYS HZ1 H 2.504 -1.991 -9.018 1.00 . A A . 7 LYS HZ1 1 1 4 1739 1 1 8 LYS HZ2 H 2.406 -1.919 -7.332 1.00 . A A . 7 LYS HZ2 1 1 4 1740 1 1 8 LYS HZ3 H 2.888 -3.354 -8.090 1.00 . A A . 7 LYS HZ3 1 1 4 1741 1 1 8 LYS N N 3.598 -4.539 -4.213 1.00 . A A . 7 LYS N 1 1 4 1742 1 1 8 LYS NZ N 2.941 -2.314 -8.131 1.00 . A A . 7 LYS NZ 1 1 4 1743 1 1 8 LYS O O 5.185 -4.804 -1.981 1.00 . A A . 7 LYS O 1 1 4 1744 1 1 9 PRO C C 7.863 -4.450 -0.893 1.00 . A A . 8 PRO C 1 1 4 1745 1 1 9 PRO CA C 7.935 -5.336 -2.130 1.00 . A A . 8 PRO CA 1 1 4 1746 1 1 9 PRO CB C 9.338 -5.273 -2.726 1.00 . A A . 8 PRO CB 1 1 4 1747 1 1 9 PRO CD C 7.799 -4.735 -4.492 1.00 . A A . 8 PRO CD 1 1 4 1748 1 1 9 PRO CG C 9.148 -5.347 -4.201 1.00 . A A . 8 PRO CG 1 1 4 1749 1 1 9 PRO HA H 7.705 -6.353 -1.853 1.00 . A A . 8 PRO HA 1 1 4 1750 1 1 9 PRO HB2 H 9.813 -4.341 -2.440 1.00 . A A . 8 PRO HB2 1 1 4 1751 1 1 9 PRO HB3 H 9.922 -6.110 -2.383 1.00 . A A . 8 PRO HB3 1 1 4 1752 1 1 9 PRO HD2 H 7.901 -3.693 -4.767 1.00 . A A . 8 PRO HD2 1 1 4 1753 1 1 9 PRO HD3 H 7.299 -5.284 -5.279 1.00 . A A . 8 PRO HD3 1 1 4 1754 1 1 9 PRO HG2 H 9.934 -4.788 -4.694 1.00 . A A . 8 PRO HG2 1 1 4 1755 1 1 9 PRO HG3 H 9.164 -6.378 -4.521 1.00 . A A . 8 PRO HG3 1 1 4 1756 1 1 9 PRO N N 7.068 -4.866 -3.218 1.00 . A A . 8 PRO N 1 1 4 1757 1 1 9 PRO O O 8.048 -3.234 -0.971 1.00 . A A . 8 PRO O 1 1 4 1758 1 1 10 GLY C C 8.317 -5.015 2.587 1.00 . A A . 9 GLY C 1 1 4 1759 1 1 10 GLY CA C 7.524 -4.343 1.491 1.00 . A A . 9 GLY CA 1 1 4 1760 1 1 10 GLY H H 7.454 -6.041 0.234 1.00 . A A . 9 GLY H 1 1 4 1761 1 1 10 GLY HA2 H 7.911 -3.347 1.340 1.00 . A A . 9 GLY HA2 1 1 4 1762 1 1 10 GLY HA3 H 6.491 -4.278 1.796 1.00 . A A . 9 GLY HA3 1 1 4 1763 1 1 10 GLY N N 7.601 -5.071 0.244 1.00 . A A . 9 GLY N 1 1 4 1764 1 1 10 GLY O O 8.236 -4.630 3.754 1.00 . A A . 9 GLY O 1 1 4 1765 1 1 11 ASP C C 11.342 -6.342 3.118 1.00 . A A . 10 ASP C 1 1 4 1766 1 1 11 ASP CA C 9.886 -6.777 3.169 1.00 . A A . 10 ASP CA 1 1 4 1767 1 1 11 ASP CB C 9.800 -8.283 2.896 1.00 . A A . 10 ASP CB 1 1 4 1768 1 1 11 ASP CG C 8.381 -8.814 2.911 1.00 . A A . 10 ASP CG 1 1 4 1769 1 1 11 ASP H H 9.127 -6.262 1.260 1.00 . A A . 10 ASP H 1 1 4 1770 1 1 11 ASP HA H 9.496 -6.575 4.152 1.00 . A A . 10 ASP HA 1 1 4 1771 1 1 11 ASP HB2 H 10.228 -8.489 1.927 1.00 . A A . 10 ASP HB2 1 1 4 1772 1 1 11 ASP HB3 H 10.368 -8.808 3.649 1.00 . A A . 10 ASP HB3 1 1 4 1773 1 1 11 ASP N N 9.091 -6.022 2.209 1.00 . A A . 10 ASP N 1 1 4 1774 1 1 11 ASP O O 11.846 -5.711 4.045 1.00 . A A . 10 ASP O 1 1 4 1775 1 1 11 ASP OD1 O 7.851 -9.083 4.012 1.00 . A A . 10 ASP OD1 1 1 4 1776 1 1 11 ASP OD2 O 7.791 -8.979 1.820 1.00 . A A . 10 ASP OD2 1 1 4 1777 1 1 12 ASN C C 13.707 -5.093 1.149 1.00 . A A . 11 ASN C 1 1 4 1778 1 1 12 ASN CA C 13.441 -6.403 1.879 1.00 . A A . 11 ASN CA 1 1 4 1779 1 1 12 ASN CB C 14.131 -7.548 1.129 1.00 . A A . 11 ASN CB 1 1 4 1780 1 1 12 ASN CG C 13.688 -7.650 -0.317 1.00 . A A . 11 ASN CG 1 1 4 1781 1 1 12 ASN H H 11.527 -7.098 1.280 1.00 . A A . 11 ASN H 1 1 4 1782 1 1 12 ASN HA H 13.855 -6.335 2.869 1.00 . A A . 11 ASN HA 1 1 4 1783 1 1 12 ASN HB2 H 15.199 -7.388 1.147 1.00 . A A . 11 ASN HB2 1 1 4 1784 1 1 12 ASN HB3 H 13.906 -8.480 1.623 1.00 . A A . 11 ASN HB3 1 1 4 1785 1 1 12 ASN HD21 H 12.265 -8.946 0.180 1.00 . A A . 11 ASN HD21 1 1 4 1786 1 1 12 ASN HD22 H 12.362 -8.540 -1.497 1.00 . A A . 11 ASN HD22 1 1 4 1787 1 1 12 ASN N N 12.008 -6.665 2.017 1.00 . A A . 11 ASN N 1 1 4 1788 1 1 12 ASN ND2 N 12.669 -8.458 -0.570 1.00 . A A . 11 ASN ND2 1 1 4 1789 1 1 12 ASN O O 14.861 -4.732 0.910 1.00 . A A . 11 ASN O 1 1 4 1790 1 1 12 ASN OD1 O 14.264 -7.018 -1.203 1.00 . A A . 11 ASN OD1 1 1 4 1791 1 1 13 ALA C C 13.444 -2.070 0.934 1.00 . A A . 12 ALA C 1 1 4 1792 1 1 13 ALA CA C 12.779 -3.133 0.070 1.00 . A A . 12 ALA CA 1 1 4 1793 1 1 13 ALA CB C 11.418 -2.664 -0.415 1.00 . A A . 12 ALA CB 1 1 4 1794 1 1 13 ALA H H 11.760 -4.697 1.053 1.00 . A A . 12 ALA H 1 1 4 1795 1 1 13 ALA HA H 13.398 -3.318 -0.793 1.00 . A A . 12 ALA HA 1 1 4 1796 1 1 13 ALA HB1 H 10.793 -2.435 0.436 1.00 . A A . 12 ALA HB1 1 1 4 1797 1 1 13 ALA HB2 H 10.957 -3.446 -0.999 1.00 . A A . 12 ALA HB2 1 1 4 1798 1 1 13 ALA HB3 H 11.537 -1.781 -1.022 1.00 . A A . 12 ALA HB3 1 1 4 1799 1 1 13 ALA N N 12.647 -4.382 0.801 1.00 . A A . 12 ALA N 1 1 4 1800 1 1 13 ALA O O 13.193 -1.992 2.136 1.00 . A A . 12 ALA O 1 1 4 1801 1 1 14 THR C C 14.089 0.817 1.603 1.00 . A A . 13 THR C 1 1 4 1802 1 1 14 THR CA C 15.037 -0.225 1.020 1.00 . A A . 13 THR CA 1 1 4 1803 1 1 14 THR CB C 16.035 0.458 0.069 1.00 . A A . 13 THR CB 1 1 4 1804 1 1 14 THR CG2 C 17.143 -0.503 -0.314 1.00 . A A . 13 THR CG2 1 1 4 1805 1 1 14 THR H H 14.446 -1.380 -0.645 1.00 . A A . 13 THR H 1 1 4 1806 1 1 14 THR HA H 15.594 -0.683 1.823 1.00 . A A . 13 THR HA 1 1 4 1807 1 1 14 THR HB H 16.471 1.305 0.575 1.00 . A A . 13 THR HB 1 1 4 1808 1 1 14 THR HG1 H 15.995 1.329 -1.703 1.00 . A A . 13 THR HG1 1 1 4 1809 1 1 14 THR HG21 H 17.836 -0.008 -0.978 1.00 . A A . 13 THR HG21 1 1 4 1810 1 1 14 THR HG22 H 16.715 -1.362 -0.811 1.00 . A A . 13 THR HG22 1 1 4 1811 1 1 14 THR HG23 H 17.663 -0.824 0.576 1.00 . A A . 13 THR HG23 1 1 4 1812 1 1 14 THR N N 14.303 -1.271 0.317 1.00 . A A . 13 THR N 1 1 4 1813 1 1 14 THR O O 12.972 0.976 1.123 1.00 . A A . 13 THR O 1 1 4 1814 1 1 14 THR OG1 O 15.360 0.912 -1.110 1.00 . A A . 13 THR OG1 1 1 4 1815 1 1 15 PRO C C 13.213 3.615 2.281 1.00 . A A . 14 PRO C 1 1 4 1816 1 1 15 PRO CA C 13.702 2.580 3.287 1.00 . A A . 14 PRO CA 1 1 4 1817 1 1 15 PRO CB C 14.652 3.222 4.310 1.00 . A A . 14 PRO CB 1 1 4 1818 1 1 15 PRO CD C 15.829 1.408 3.304 1.00 . A A . 14 PRO CD 1 1 4 1819 1 1 15 PRO CG C 16.015 2.754 3.945 1.00 . A A . 14 PRO CG 1 1 4 1820 1 1 15 PRO HA H 12.853 2.152 3.798 1.00 . A A . 14 PRO HA 1 1 4 1821 1 1 15 PRO HB2 H 14.587 4.299 4.243 1.00 . A A . 14 PRO HB2 1 1 4 1822 1 1 15 PRO HB3 H 14.407 2.893 5.305 1.00 . A A . 14 PRO HB3 1 1 4 1823 1 1 15 PRO HD2 H 16.606 1.220 2.581 1.00 . A A . 14 PRO HD2 1 1 4 1824 1 1 15 PRO HD3 H 15.807 0.628 4.049 1.00 . A A . 14 PRO HD3 1 1 4 1825 1 1 15 PRO HG2 H 16.466 3.456 3.248 1.00 . A A . 14 PRO HG2 1 1 4 1826 1 1 15 PRO HG3 H 16.619 2.659 4.835 1.00 . A A . 14 PRO HG3 1 1 4 1827 1 1 15 PRO N N 14.520 1.542 2.650 1.00 . A A . 14 PRO N 1 1 4 1828 1 1 15 PRO O O 12.073 4.079 2.352 1.00 . A A . 14 PRO O 1 1 4 1829 1 1 16 GLU C C 12.641 4.333 -0.607 1.00 . A A . 15 GLU C 1 1 4 1830 1 1 16 GLU CA C 13.745 4.900 0.282 1.00 . A A . 15 GLU CA 1 1 4 1831 1 1 16 GLU CB C 14.989 5.205 -0.551 1.00 . A A . 15 GLU CB 1 1 4 1832 1 1 16 GLU CD C 15.980 6.430 -2.524 1.00 . A A . 15 GLU CD 1 1 4 1833 1 1 16 GLU CG C 14.770 6.257 -1.631 1.00 . A A . 15 GLU CG 1 1 4 1834 1 1 16 GLU H H 14.971 3.544 1.339 1.00 . A A . 15 GLU H 1 1 4 1835 1 1 16 GLU HA H 13.396 5.807 0.748 1.00 . A A . 15 GLU HA 1 1 4 1836 1 1 16 GLU HB2 H 15.770 5.555 0.109 1.00 . A A . 15 GLU HB2 1 1 4 1837 1 1 16 GLU HB3 H 15.317 4.294 -1.028 1.00 . A A . 15 GLU HB3 1 1 4 1838 1 1 16 GLU HG2 H 13.928 5.963 -2.240 1.00 . A A . 15 GLU HG2 1 1 4 1839 1 1 16 GLU HG3 H 14.556 7.202 -1.153 1.00 . A A . 15 GLU HG3 1 1 4 1840 1 1 16 GLU N N 14.080 3.953 1.334 1.00 . A A . 15 GLU N 1 1 4 1841 1 1 16 GLU O O 11.708 5.035 -0.993 1.00 . A A . 15 GLU O 1 1 4 1842 1 1 16 GLU OE1 O 16.083 5.710 -3.541 1.00 . A A . 15 GLU OE1 1 1 4 1843 1 1 16 GLU OE2 O 16.835 7.286 -2.220 1.00 . A A . 15 GLU OE2 1 1 4 1844 1 1 17 LYS C C 10.491 2.118 -1.028 1.00 . A A . 16 LYS C 1 1 4 1845 1 1 17 LYS CA C 11.803 2.360 -1.766 1.00 . A A . 16 LYS CA 1 1 4 1846 1 1 17 LYS CB C 12.414 1.038 -2.231 1.00 . A A . 16 LYS CB 1 1 4 1847 1 1 17 LYS CD C 12.420 -0.843 -3.874 1.00 . A A . 16 LYS CD 1 1 4 1848 1 1 17 LYS CE C 11.667 -1.563 -4.979 1.00 . A A . 16 LYS CE 1 1 4 1849 1 1 17 LYS CG C 11.616 0.311 -3.296 1.00 . A A . 16 LYS CG 1 1 4 1850 1 1 17 LYS H H 13.493 2.536 -0.517 1.00 . A A . 16 LYS H 1 1 4 1851 1 1 17 LYS HA H 11.614 2.988 -2.621 1.00 . A A . 16 LYS HA 1 1 4 1852 1 1 17 LYS HB2 H 13.401 1.231 -2.626 1.00 . A A . 16 LYS HB2 1 1 4 1853 1 1 17 LYS HB3 H 12.506 0.384 -1.376 1.00 . A A . 16 LYS HB3 1 1 4 1854 1 1 17 LYS HD2 H 13.343 -0.457 -4.277 1.00 . A A . 16 LYS HD2 1 1 4 1855 1 1 17 LYS HD3 H 12.639 -1.545 -3.083 1.00 . A A . 16 LYS HD3 1 1 4 1856 1 1 17 LYS HE2 H 11.380 -0.845 -5.729 1.00 . A A . 16 LYS HE2 1 1 4 1857 1 1 17 LYS HE3 H 12.320 -2.301 -5.420 1.00 . A A . 16 LYS HE3 1 1 4 1858 1 1 17 LYS HG2 H 10.709 -0.076 -2.855 1.00 . A A . 16 LYS HG2 1 1 4 1859 1 1 17 LYS HG3 H 11.372 1.003 -4.088 1.00 . A A . 16 LYS HG3 1 1 4 1860 1 1 17 LYS HZ1 H 9.913 -2.651 -5.254 1.00 . A A . 16 LYS HZ1 1 1 4 1861 1 1 17 LYS HZ2 H 9.846 -1.560 -3.966 1.00 . A A . 16 LYS HZ2 1 1 4 1862 1 1 17 LYS HZ3 H 10.718 -3.000 -3.810 1.00 . A A . 16 LYS HZ3 1 1 4 1863 1 1 17 LYS N N 12.751 3.046 -0.901 1.00 . A A . 16 LYS N 1 1 4 1864 1 1 17 LYS NZ N 10.452 -2.239 -4.465 1.00 . A A . 16 LYS NZ 1 1 4 1865 1 1 17 LYS O O 9.409 2.216 -1.609 1.00 . A A . 16 LYS O 1 1 4 1866 1 1 18 LEU C C 8.571 2.862 1.191 1.00 . A A . 17 LEU C 1 1 4 1867 1 1 18 LEU CA C 9.431 1.607 1.103 1.00 . A A . 17 LEU CA 1 1 4 1868 1 1 18 LEU CB C 9.847 1.171 2.509 1.00 . A A . 17 LEU CB 1 1 4 1869 1 1 18 LEU CD1 C 10.813 -0.545 4.051 1.00 . A A . 17 LEU CD1 1 1 4 1870 1 1 18 LEU CD2 C 9.427 -1.267 2.104 1.00 . A A . 17 LEU CD2 1 1 4 1871 1 1 18 LEU CG C 10.424 -0.240 2.615 1.00 . A A . 17 LEU CG 1 1 4 1872 1 1 18 LEU H H 11.492 1.721 0.658 1.00 . A A . 17 LEU H 1 1 4 1873 1 1 18 LEU HA H 8.847 0.821 0.654 1.00 . A A . 17 LEU HA 1 1 4 1874 1 1 18 LEU HB2 H 10.588 1.865 2.869 1.00 . A A . 17 LEU HB2 1 1 4 1875 1 1 18 LEU HB3 H 8.984 1.232 3.152 1.00 . A A . 17 LEU HB3 1 1 4 1876 1 1 18 LEU HD11 H 9.938 -0.483 4.682 1.00 . A A . 17 LEU HD11 1 1 4 1877 1 1 18 LEU HD12 H 11.546 0.173 4.383 1.00 . A A . 17 LEU HD12 1 1 4 1878 1 1 18 LEU HD13 H 11.230 -1.539 4.108 1.00 . A A . 17 LEU HD13 1 1 4 1879 1 1 18 LEU HD21 H 8.486 -1.142 2.616 1.00 . A A . 17 LEU HD21 1 1 4 1880 1 1 18 LEU HD22 H 9.808 -2.260 2.289 1.00 . A A . 17 LEU HD22 1 1 4 1881 1 1 18 LEU HD23 H 9.284 -1.132 1.042 1.00 . A A . 17 LEU HD23 1 1 4 1882 1 1 18 LEU HG H 11.316 -0.305 2.008 1.00 . A A . 17 LEU HG 1 1 4 1883 1 1 18 LEU N N 10.597 1.820 0.262 1.00 . A A . 17 LEU N 1 1 4 1884 1 1 18 LEU O O 7.388 2.781 1.492 1.00 . A A . 17 LEU O 1 1 4 1885 1 1 19 ALA C C 7.347 5.284 -0.112 1.00 . A A . 18 ALA C 1 1 4 1886 1 1 19 ALA CA C 8.434 5.273 0.953 1.00 . A A . 18 ALA CA 1 1 4 1887 1 1 19 ALA CB C 9.381 6.441 0.754 1.00 . A A . 18 ALA CB 1 1 4 1888 1 1 19 ALA H H 10.121 4.026 0.704 1.00 . A A . 18 ALA H 1 1 4 1889 1 1 19 ALA HA H 7.976 5.369 1.924 1.00 . A A . 18 ALA HA 1 1 4 1890 1 1 19 ALA HB1 H 9.824 6.375 -0.228 1.00 . A A . 18 ALA HB1 1 1 4 1891 1 1 19 ALA HB2 H 10.157 6.406 1.503 1.00 . A A . 18 ALA HB2 1 1 4 1892 1 1 19 ALA HB3 H 8.833 7.366 0.842 1.00 . A A . 18 ALA HB3 1 1 4 1893 1 1 19 ALA N N 9.167 4.016 0.925 1.00 . A A . 18 ALA N 1 1 4 1894 1 1 19 ALA O O 6.237 5.765 0.114 1.00 . A A . 18 ALA O 1 1 4 1895 1 1 20 LYS C C 5.700 3.544 -2.067 1.00 . A A . 19 LYS C 1 1 4 1896 1 1 20 LYS CA C 6.715 4.646 -2.364 1.00 . A A . 19 LYS CA 1 1 4 1897 1 1 20 LYS CB C 7.453 4.385 -3.677 1.00 . A A . 19 LYS CB 1 1 4 1898 1 1 20 LYS CD C 7.414 4.566 -6.186 1.00 . A A . 19 LYS CD 1 1 4 1899 1 1 20 LYS CE C 8.328 3.363 -6.347 1.00 . A A . 19 LYS CE 1 1 4 1900 1 1 20 LYS CG C 6.576 4.473 -4.916 1.00 . A A . 19 LYS CG 1 1 4 1901 1 1 20 LYS H H 8.583 4.393 -1.403 1.00 . A A . 19 LYS H 1 1 4 1902 1 1 20 LYS HA H 6.195 5.589 -2.429 1.00 . A A . 19 LYS HA 1 1 4 1903 1 1 20 LYS HB2 H 8.246 5.109 -3.774 1.00 . A A . 19 LYS HB2 1 1 4 1904 1 1 20 LYS HB3 H 7.885 3.397 -3.638 1.00 . A A . 19 LYS HB3 1 1 4 1905 1 1 20 LYS HD2 H 6.752 4.618 -7.037 1.00 . A A . 19 LYS HD2 1 1 4 1906 1 1 20 LYS HD3 H 8.017 5.461 -6.142 1.00 . A A . 19 LYS HD3 1 1 4 1907 1 1 20 LYS HE2 H 8.948 3.277 -5.469 1.00 . A A . 19 LYS HE2 1 1 4 1908 1 1 20 LYS HE3 H 7.719 2.478 -6.444 1.00 . A A . 19 LYS HE3 1 1 4 1909 1 1 20 LYS HG2 H 5.956 3.592 -4.970 1.00 . A A . 19 LYS HG2 1 1 4 1910 1 1 20 LYS HG3 H 5.952 5.352 -4.842 1.00 . A A . 19 LYS HG3 1 1 4 1911 1 1 20 LYS HZ1 H 9.767 2.616 -7.660 1.00 . A A . 19 LYS HZ1 1 1 4 1912 1 1 20 LYS HZ2 H 9.849 4.288 -7.440 1.00 . A A . 19 LYS HZ2 1 1 4 1913 1 1 20 LYS HZ3 H 8.627 3.623 -8.397 1.00 . A A . 19 LYS HZ3 1 1 4 1914 1 1 20 LYS N N 7.672 4.740 -1.275 1.00 . A A . 19 LYS N 1 1 4 1915 1 1 20 LYS NZ N 9.202 3.481 -7.544 1.00 . A A . 19 LYS NZ 1 1 4 1916 1 1 20 LYS O O 4.530 3.637 -2.438 1.00 . A A . 19 LYS O 1 1 4 1917 1 1 21 TYR C C 4.278 1.993 0.097 1.00 . A A . 20 TYR C 1 1 4 1918 1 1 21 TYR CA C 5.292 1.443 -0.904 1.00 . A A . 20 TYR CA 1 1 4 1919 1 1 21 TYR CB C 6.132 0.334 -0.262 1.00 . A A . 20 TYR CB 1 1 4 1920 1 1 21 TYR CD1 C 4.863 -1.841 -0.447 1.00 . A A . 20 TYR CD1 1 1 4 1921 1 1 21 TYR CD2 C 5.020 -0.811 1.695 1.00 . A A . 20 TYR CD2 1 1 4 1922 1 1 21 TYR CE1 C 4.126 -2.873 0.097 1.00 . A A . 20 TYR CE1 1 1 4 1923 1 1 21 TYR CE2 C 4.282 -1.842 2.244 1.00 . A A . 20 TYR CE2 1 1 4 1924 1 1 21 TYR CG C 5.325 -0.794 0.342 1.00 . A A . 20 TYR CG 1 1 4 1925 1 1 21 TYR CZ C 3.850 -2.866 1.463 1.00 . A A . 20 TYR CZ 1 1 4 1926 1 1 21 TYR H H 7.122 2.465 -1.179 1.00 . A A . 20 TYR H 1 1 4 1927 1 1 21 TYR HA H 4.761 1.041 -1.754 1.00 . A A . 20 TYR HA 1 1 4 1928 1 1 21 TYR HB2 H 6.780 -0.093 -1.012 1.00 . A A . 20 TYR HB2 1 1 4 1929 1 1 21 TYR HB3 H 6.734 0.767 0.523 1.00 . A A . 20 TYR HB3 1 1 4 1930 1 1 21 TYR HD1 H 5.092 -1.844 -1.501 1.00 . A A . 20 TYR HD1 1 1 4 1931 1 1 21 TYR HD2 H 5.368 -0.003 2.324 1.00 . A A . 20 TYR HD2 1 1 4 1932 1 1 21 TYR HE1 H 3.778 -3.675 -0.534 1.00 . A A . 20 TYR HE1 1 1 4 1933 1 1 21 TYR HE2 H 4.054 -1.837 3.300 1.00 . A A . 20 TYR HE2 1 1 4 1934 1 1 21 TYR HH H 2.417 -3.530 2.559 1.00 . A A . 20 TYR HH 1 1 4 1935 1 1 21 TYR N N 6.163 2.510 -1.376 1.00 . A A . 20 TYR N 1 1 4 1936 1 1 21 TYR O O 3.094 1.666 0.045 1.00 . A A . 20 TYR O 1 1 4 1937 1 1 21 TYR OH O 3.102 -3.897 1.987 1.00 . A A . 20 TYR OH 1 1 4 1938 1 1 22 GLN C C 2.858 4.355 1.337 1.00 . A A . 21 GLN C 1 1 4 1939 1 1 22 GLN CA C 3.901 3.475 2.000 1.00 . A A . 21 GLN CA 1 1 4 1940 1 1 22 GLN CB C 4.734 4.298 2.980 1.00 . A A . 21 GLN CB 1 1 4 1941 1 1 22 GLN CD C 6.498 4.287 4.785 1.00 . A A . 21 GLN CD 1 1 4 1942 1 1 22 GLN CG C 5.589 3.454 3.907 1.00 . A A . 21 GLN CG 1 1 4 1943 1 1 22 GLN H H 5.719 3.047 1.001 1.00 . A A . 21 GLN H 1 1 4 1944 1 1 22 GLN HA H 3.397 2.692 2.542 1.00 . A A . 21 GLN HA 1 1 4 1945 1 1 22 GLN HB2 H 5.385 4.954 2.420 1.00 . A A . 21 GLN HB2 1 1 4 1946 1 1 22 GLN HB3 H 4.070 4.897 3.583 1.00 . A A . 21 GLN HB3 1 1 4 1947 1 1 22 GLN HE21 H 7.819 2.804 4.875 1.00 . A A . 21 GLN HE21 1 1 4 1948 1 1 22 GLN HE22 H 8.242 4.244 5.738 1.00 . A A . 21 GLN HE22 1 1 4 1949 1 1 22 GLN HG2 H 4.942 2.867 4.540 1.00 . A A . 21 GLN HG2 1 1 4 1950 1 1 22 GLN HG3 H 6.199 2.793 3.307 1.00 . A A . 21 GLN HG3 1 1 4 1951 1 1 22 GLN N N 4.755 2.844 1.001 1.00 . A A . 21 GLN N 1 1 4 1952 1 1 22 GLN NE2 N 7.632 3.722 5.172 1.00 . A A . 21 GLN NE2 1 1 4 1953 1 1 22 GLN O O 1.741 4.476 1.827 1.00 . A A . 21 GLN O 1 1 4 1954 1 1 22 GLN OE1 O 6.180 5.429 5.124 1.00 . A A . 21 GLN OE1 1 1 4 1955 1 1 23 ALA C C 1.164 4.945 -1.104 1.00 . A A . 22 ALA C 1 1 4 1956 1 1 23 ALA CA C 2.305 5.788 -0.539 1.00 . A A . 22 ALA CA 1 1 4 1957 1 1 23 ALA CB C 3.045 6.510 -1.654 1.00 . A A . 22 ALA CB 1 1 4 1958 1 1 23 ALA H H 4.146 4.855 -0.102 1.00 . A A . 22 ALA H 1 1 4 1959 1 1 23 ALA HA H 1.896 6.528 0.131 1.00 . A A . 22 ALA HA 1 1 4 1960 1 1 23 ALA HB1 H 3.447 5.784 -2.345 1.00 . A A . 22 ALA HB1 1 1 4 1961 1 1 23 ALA HB2 H 3.852 7.089 -1.232 1.00 . A A . 22 ALA HB2 1 1 4 1962 1 1 23 ALA HB3 H 2.363 7.164 -2.175 1.00 . A A . 22 ALA HB3 1 1 4 1963 1 1 23 ALA N N 3.226 4.960 0.218 1.00 . A A . 22 ALA N 1 1 4 1964 1 1 23 ALA O O 0.011 5.380 -1.138 1.00 . A A . 22 ALA O 1 1 4 1965 1 1 24 ASP C C -0.337 2.235 -0.916 1.00 . A A . 23 ASP C 1 1 4 1966 1 1 24 ASP CA C 0.494 2.811 -2.060 1.00 . A A . 23 ASP CA 1 1 4 1967 1 1 24 ASP CB C 1.169 1.684 -2.851 1.00 . A A . 23 ASP CB 1 1 4 1968 1 1 24 ASP CG C 0.182 0.851 -3.648 1.00 . A A . 23 ASP CG 1 1 4 1969 1 1 24 ASP H H 2.432 3.451 -1.487 1.00 . A A . 23 ASP H 1 1 4 1970 1 1 24 ASP HA H -0.157 3.370 -2.718 1.00 . A A . 23 ASP HA 1 1 4 1971 1 1 24 ASP HB2 H 1.881 2.115 -3.542 1.00 . A A . 23 ASP HB2 1 1 4 1972 1 1 24 ASP HB3 H 1.691 1.033 -2.162 1.00 . A A . 23 ASP HB3 1 1 4 1973 1 1 24 ASP N N 1.493 3.733 -1.529 1.00 . A A . 23 ASP N 1 1 4 1974 1 1 24 ASP O O -1.552 2.072 -1.029 1.00 . A A . 23 ASP O 1 1 4 1975 1 1 24 ASP OD1 O -0.398 -0.096 -3.072 1.00 . A A . 23 ASP OD1 1 1 4 1976 1 1 24 ASP OD2 O -0.036 1.143 -4.841 1.00 . A A . 23 ASP OD2 1 1 4 1977 1 1 25 LEU C C -1.272 2.556 1.930 1.00 . A A . 24 LEU C 1 1 4 1978 1 1 25 LEU CA C -0.327 1.474 1.407 1.00 . A A . 24 LEU CA 1 1 4 1979 1 1 25 LEU CB C 0.740 1.086 2.457 1.00 . A A . 24 LEU CB 1 1 4 1980 1 1 25 LEU CD1 C -0.238 1.477 4.744 1.00 . A A . 24 LEU CD1 1 1 4 1981 1 1 25 LEU CD2 C -0.851 -0.584 3.474 1.00 . A A . 24 LEU CD2 1 1 4 1982 1 1 25 LEU CG C 0.247 0.430 3.757 1.00 . A A . 24 LEU CG 1 1 4 1983 1 1 25 LEU H H 1.312 2.056 0.197 1.00 . A A . 24 LEU H 1 1 4 1984 1 1 25 LEU HA H -0.910 0.601 1.151 1.00 . A A . 24 LEU HA 1 1 4 1985 1 1 25 LEU HB2 H 1.438 0.406 1.990 1.00 . A A . 24 LEU HB2 1 1 4 1986 1 1 25 LEU HB3 H 1.276 1.983 2.724 1.00 . A A . 24 LEU HB3 1 1 4 1987 1 1 25 LEU HD11 H -0.585 0.992 5.644 1.00 . A A . 24 LEU HD11 1 1 4 1988 1 1 25 LEU HD12 H -1.046 2.038 4.301 1.00 . A A . 24 LEU HD12 1 1 4 1989 1 1 25 LEU HD13 H 0.575 2.147 4.984 1.00 . A A . 24 LEU HD13 1 1 4 1990 1 1 25 LEU HD21 H -1.684 -0.088 3.000 1.00 . A A . 24 LEU HD21 1 1 4 1991 1 1 25 LEU HD22 H -1.179 -1.029 4.402 1.00 . A A . 24 LEU HD22 1 1 4 1992 1 1 25 LEU HD23 H -0.471 -1.355 2.821 1.00 . A A . 24 LEU HD23 1 1 4 1993 1 1 25 LEU HG H 1.072 -0.095 4.216 1.00 . A A . 24 LEU HG 1 1 4 1994 1 1 25 LEU N N 0.335 1.948 0.194 1.00 . A A . 24 LEU N 1 1 4 1995 1 1 25 LEU O O -2.364 2.261 2.415 1.00 . A A . 24 LEU O 1 1 4 1996 1 1 26 ALA C C -2.953 4.987 1.358 1.00 . A A . 25 ALA C 1 1 4 1997 1 1 26 ALA CA C -1.676 4.945 2.189 1.00 . A A . 25 ALA CA 1 1 4 1998 1 1 26 ALA CB C -0.896 6.235 2.022 1.00 . A A . 25 ALA CB 1 1 4 1999 1 1 26 ALA H H 0.057 3.975 1.468 1.00 . A A . 25 ALA H 1 1 4 2000 1 1 26 ALA HA H -1.936 4.838 3.230 1.00 . A A . 25 ALA HA 1 1 4 2001 1 1 26 ALA HB1 H -0.646 6.370 0.980 1.00 . A A . 25 ALA HB1 1 1 4 2002 1 1 26 ALA HB2 H 0.011 6.182 2.607 1.00 . A A . 25 ALA HB2 1 1 4 2003 1 1 26 ALA HB3 H -1.496 7.065 2.361 1.00 . A A . 25 ALA HB3 1 1 4 2004 1 1 26 ALA N N -0.850 3.808 1.808 1.00 . A A . 25 ALA N 1 1 4 2005 1 1 26 ALA O O -4.034 5.279 1.874 1.00 . A A . 25 ALA O 1 1 4 2006 1 1 27 LYS C C -4.875 3.453 -0.385 1.00 . A A . 26 LYS C 1 1 4 2007 1 1 27 LYS CA C -3.971 4.600 -0.817 1.00 . A A . 26 LYS CA 1 1 4 2008 1 1 27 LYS CB C -3.534 4.403 -2.272 1.00 . A A . 26 LYS CB 1 1 4 2009 1 1 27 LYS CD C -4.257 4.088 -4.668 1.00 . A A . 26 LYS CD 1 1 4 2010 1 1 27 LYS CE C -5.375 3.579 -5.568 1.00 . A A . 26 LYS CE 1 1 4 2011 1 1 27 LYS CG C -4.699 4.143 -3.216 1.00 . A A . 26 LYS CG 1 1 4 2012 1 1 27 LYS H H -1.921 4.529 -0.293 1.00 . A A . 26 LYS H 1 1 4 2013 1 1 27 LYS HA H -4.521 5.525 -0.736 1.00 . A A . 26 LYS HA 1 1 4 2014 1 1 27 LYS HB2 H -3.011 5.286 -2.605 1.00 . A A . 26 LYS HB2 1 1 4 2015 1 1 27 LYS HB3 H -2.864 3.558 -2.324 1.00 . A A . 26 LYS HB3 1 1 4 2016 1 1 27 LYS HD2 H -3.974 5.081 -4.986 1.00 . A A . 26 LYS HD2 1 1 4 2017 1 1 27 LYS HD3 H -3.407 3.426 -4.751 1.00 . A A . 26 LYS HD3 1 1 4 2018 1 1 27 LYS HE2 H -5.064 3.676 -6.596 1.00 . A A . 26 LYS HE2 1 1 4 2019 1 1 27 LYS HE3 H -5.549 2.536 -5.344 1.00 . A A . 26 LYS HE3 1 1 4 2020 1 1 27 LYS HG2 H -5.153 3.199 -2.956 1.00 . A A . 26 LYS HG2 1 1 4 2021 1 1 27 LYS HG3 H -5.424 4.936 -3.100 1.00 . A A . 26 LYS HG3 1 1 4 2022 1 1 27 LYS HZ1 H -6.491 5.348 -5.536 1.00 . A A . 26 LYS HZ1 1 1 4 2023 1 1 27 LYS HZ2 H -7.011 4.191 -4.410 1.00 . A A . 26 LYS HZ2 1 1 4 2024 1 1 27 LYS HZ3 H -7.363 3.994 -6.054 1.00 . A A . 26 LYS HZ3 1 1 4 2025 1 1 27 LYS N N -2.818 4.690 0.069 1.00 . A A . 26 LYS N 1 1 4 2026 1 1 27 LYS NZ N -6.646 4.331 -5.379 1.00 . A A . 26 LYS NZ 1 1 4 2027 1 1 27 LYS O O -6.100 3.583 -0.383 1.00 . A A . 26 LYS O 1 1 4 2028 1 1 28 TYR C C -5.806 1.586 1.729 1.00 . A A . 27 TYR C 1 1 4 2029 1 1 28 TYR CA C -5.006 1.194 0.495 1.00 . A A . 27 TYR CA 1 1 4 2030 1 1 28 TYR CB C -4.064 0.030 0.824 1.00 . A A . 27 TYR CB 1 1 4 2031 1 1 28 TYR CD1 C -5.406 -2.087 0.566 1.00 . A A . 27 TYR CD1 1 1 4 2032 1 1 28 TYR CD2 C -4.816 -1.406 2.771 1.00 . A A . 27 TYR CD2 1 1 4 2033 1 1 28 TYR CE1 C -6.065 -3.185 1.077 1.00 . A A . 27 TYR CE1 1 1 4 2034 1 1 28 TYR CE2 C -5.474 -2.506 3.290 1.00 . A A . 27 TYR CE2 1 1 4 2035 1 1 28 TYR CG C -4.773 -1.178 1.399 1.00 . A A . 27 TYR CG 1 1 4 2036 1 1 28 TYR CZ C -6.097 -3.392 2.438 1.00 . A A . 27 TYR CZ 1 1 4 2037 1 1 28 TYR H H -3.280 2.294 -0.047 1.00 . A A . 27 TYR H 1 1 4 2038 1 1 28 TYR HA H -5.693 0.888 -0.280 1.00 . A A . 27 TYR HA 1 1 4 2039 1 1 28 TYR HB2 H -3.555 -0.282 -0.078 1.00 . A A . 27 TYR HB2 1 1 4 2040 1 1 28 TYR HB3 H -3.334 0.362 1.543 1.00 . A A . 27 TYR HB3 1 1 4 2041 1 1 28 TYR HD1 H -5.382 -1.927 -0.501 1.00 . A A . 27 TYR HD1 1 1 4 2042 1 1 28 TYR HD2 H -4.328 -0.709 3.436 1.00 . A A . 27 TYR HD2 1 1 4 2043 1 1 28 TYR HE1 H -6.547 -3.881 0.410 1.00 . A A . 27 TYR HE1 1 1 4 2044 1 1 28 TYR HE2 H -5.497 -2.665 4.358 1.00 . A A . 27 TYR HE2 1 1 4 2045 1 1 28 TYR HH H -7.215 -4.244 3.758 1.00 . A A . 27 TYR HH 1 1 4 2046 1 1 28 TYR N N -4.260 2.342 0.003 1.00 . A A . 27 TYR N 1 1 4 2047 1 1 28 TYR O O -6.965 1.216 1.861 1.00 . A A . 27 TYR O 1 1 4 2048 1 1 28 TYR OH O -6.756 -4.490 2.943 1.00 . A A . 27 TYR OH 1 1 4 2049 1 1 29 GLN C C -7.040 3.714 3.457 1.00 . A A . 28 GLN C 1 1 4 2050 1 1 29 GLN CA C -5.843 2.844 3.818 1.00 . A A . 28 GLN CA 1 1 4 2051 1 1 29 GLN CB C -4.875 3.665 4.674 1.00 . A A . 28 GLN CB 1 1 4 2052 1 1 29 GLN CD C -2.739 3.758 6.010 1.00 . A A . 28 GLN CD 1 1 4 2053 1 1 29 GLN CG C -3.706 2.874 5.244 1.00 . A A . 28 GLN CG 1 1 4 2054 1 1 29 GLN H H -4.243 2.594 2.454 1.00 . A A . 28 GLN H 1 1 4 2055 1 1 29 GLN HA H -6.186 1.990 4.383 1.00 . A A . 28 GLN HA 1 1 4 2056 1 1 29 GLN HB2 H -4.473 4.466 4.068 1.00 . A A . 28 GLN HB2 1 1 4 2057 1 1 29 GLN HB3 H -5.424 4.098 5.498 1.00 . A A . 28 GLN HB3 1 1 4 2058 1 1 29 GLN HE21 H -2.268 2.257 7.218 1.00 . A A . 28 GLN HE21 1 1 4 2059 1 1 29 GLN HE22 H -1.457 3.751 7.524 1.00 . A A . 28 GLN HE22 1 1 4 2060 1 1 29 GLN HG2 H -4.086 2.113 5.911 1.00 . A A . 28 GLN HG2 1 1 4 2061 1 1 29 GLN HG3 H -3.171 2.404 4.430 1.00 . A A . 28 GLN HG3 1 1 4 2062 1 1 29 GLN N N -5.181 2.354 2.615 1.00 . A A . 28 GLN N 1 1 4 2063 1 1 29 GLN NE2 N -2.091 3.199 7.018 1.00 . A A . 28 GLN NE2 1 1 4 2064 1 1 29 GLN O O -8.138 3.535 3.986 1.00 . A A . 28 GLN O 1 1 4 2065 1 1 29 GLN OE1 O -2.578 4.938 5.698 1.00 . A A . 28 GLN OE1 1 1 4 2066 1 1 30 LYS C C -9.024 4.880 1.495 1.00 . A A . 29 LYS C 1 1 4 2067 1 1 30 LYS CA C -7.840 5.595 2.138 1.00 . A A . 29 LYS CA 1 1 4 2068 1 1 30 LYS CB C -7.248 6.627 1.177 1.00 . A A . 29 LYS CB 1 1 4 2069 1 1 30 LYS CD C -7.540 8.799 -0.042 1.00 . A A . 29 LYS CD 1 1 4 2070 1 1 30 LYS CE C -8.507 9.906 -0.417 1.00 . A A . 29 LYS CE 1 1 4 2071 1 1 30 LYS CG C -8.225 7.717 0.773 1.00 . A A . 29 LYS CG 1 1 4 2072 1 1 30 LYS H H -5.927 4.698 2.123 1.00 . A A . 29 LYS H 1 1 4 2073 1 1 30 LYS HA H -8.184 6.102 3.025 1.00 . A A . 29 LYS HA 1 1 4 2074 1 1 30 LYS HB2 H -6.397 7.095 1.651 1.00 . A A . 29 LYS HB2 1 1 4 2075 1 1 30 LYS HB3 H -6.918 6.121 0.280 1.00 . A A . 29 LYS HB3 1 1 4 2076 1 1 30 LYS HD2 H -6.735 9.219 0.541 1.00 . A A . 29 LYS HD2 1 1 4 2077 1 1 30 LYS HD3 H -7.142 8.359 -0.944 1.00 . A A . 29 LYS HD3 1 1 4 2078 1 1 30 LYS HE2 H -9.248 9.506 -1.092 1.00 . A A . 29 LYS HE2 1 1 4 2079 1 1 30 LYS HE3 H -8.992 10.263 0.479 1.00 . A A . 29 LYS HE3 1 1 4 2080 1 1 30 LYS HG2 H -9.016 7.280 0.180 1.00 . A A . 29 LYS HG2 1 1 4 2081 1 1 30 LYS HG3 H -8.645 8.161 1.664 1.00 . A A . 29 LYS HG3 1 1 4 2082 1 1 30 LYS HZ1 H -7.139 11.481 -0.421 1.00 . A A . 29 LYS HZ1 1 1 4 2083 1 1 30 LYS HZ2 H -8.509 11.758 -1.378 1.00 . A A . 29 LYS HZ2 1 1 4 2084 1 1 30 LYS HZ3 H -7.299 10.707 -1.917 1.00 . A A . 29 LYS HZ3 1 1 4 2085 1 1 30 LYS N N -6.815 4.647 2.541 1.00 . A A . 29 LYS N 1 1 4 2086 1 1 30 LYS NZ N -7.815 11.042 -1.079 1.00 . A A . 29 LYS NZ 1 1 4 2087 1 1 30 LYS O O -10.179 5.133 1.848 1.00 . A A . 29 LYS O 1 1 4 2088 1 1 31 ASP C C -10.437 2.252 0.900 1.00 . A A . 30 ASP C 1 1 4 2089 1 1 31 ASP CA C -9.777 3.201 -0.090 1.00 . A A . 30 ASP CA 1 1 4 2090 1 1 31 ASP CB C -9.229 2.419 -1.285 1.00 . A A . 30 ASP CB 1 1 4 2091 1 1 31 ASP CG C -9.166 3.257 -2.546 1.00 . A A . 30 ASP CG 1 1 4 2092 1 1 31 ASP H H -7.795 3.856 0.291 1.00 . A A . 30 ASP H 1 1 4 2093 1 1 31 ASP HA H -10.525 3.892 -0.446 1.00 . A A . 30 ASP HA 1 1 4 2094 1 1 31 ASP HB2 H -8.229 2.073 -1.057 1.00 . A A . 30 ASP HB2 1 1 4 2095 1 1 31 ASP HB3 H -9.869 1.569 -1.471 1.00 . A A . 30 ASP HB3 1 1 4 2096 1 1 31 ASP N N -8.735 3.989 0.556 1.00 . A A . 30 ASP N 1 1 4 2097 1 1 31 ASP O O -11.627 1.979 0.805 1.00 . A A . 30 ASP O 1 1 4 2098 1 1 31 ASP OD1 O -8.050 3.495 -3.049 1.00 . A A . 30 ASP OD1 1 1 4 2099 1 1 31 ASP OD2 O -10.229 3.706 -3.033 1.00 . A A . 30 ASP OD2 1 1 4 2100 1 1 32 LEU C C -11.176 1.600 3.764 1.00 . A A . 31 LEU C 1 1 4 2101 1 1 32 LEU CA C -10.169 0.865 2.892 1.00 . A A . 31 LEU CA 1 1 4 2102 1 1 32 LEU CB C -9.017 0.340 3.757 1.00 . A A . 31 LEU CB 1 1 4 2103 1 1 32 LEU CD1 C -9.833 -2.016 4.070 1.00 . A A . 31 LEU CD1 1 1 4 2104 1 1 32 LEU CD2 C -8.184 -1.028 5.665 1.00 . A A . 31 LEU CD2 1 1 4 2105 1 1 32 LEU CG C -9.376 -0.745 4.770 1.00 . A A . 31 LEU CG 1 1 4 2106 1 1 32 LEU H H -8.697 1.972 1.840 1.00 . A A . 31 LEU H 1 1 4 2107 1 1 32 LEU HA H -10.666 0.036 2.416 1.00 . A A . 31 LEU HA 1 1 4 2108 1 1 32 LEU HB2 H -8.253 -0.052 3.101 1.00 . A A . 31 LEU HB2 1 1 4 2109 1 1 32 LEU HB3 H -8.598 1.175 4.301 1.00 . A A . 31 LEU HB3 1 1 4 2110 1 1 32 LEU HD11 H -10.015 -2.785 4.805 1.00 . A A . 31 LEU HD11 1 1 4 2111 1 1 32 LEU HD12 H -9.064 -2.348 3.387 1.00 . A A . 31 LEU HD12 1 1 4 2112 1 1 32 LEU HD13 H -10.742 -1.822 3.522 1.00 . A A . 31 LEU HD13 1 1 4 2113 1 1 32 LEU HD21 H -8.443 -1.790 6.384 1.00 . A A . 31 LEU HD21 1 1 4 2114 1 1 32 LEU HD22 H -7.901 -0.123 6.184 1.00 . A A . 31 LEU HD22 1 1 4 2115 1 1 32 LEU HD23 H -7.355 -1.369 5.060 1.00 . A A . 31 LEU HD23 1 1 4 2116 1 1 32 LEU HG H -10.188 -0.396 5.391 1.00 . A A . 31 LEU HG 1 1 4 2117 1 1 32 LEU N N -9.655 1.750 1.848 1.00 . A A . 31 LEU N 1 1 4 2118 1 1 32 LEU O O -12.202 1.045 4.149 1.00 . A A . 31 LEU O 1 1 4 2119 1 1 33 ALA C C -13.042 3.971 4.078 1.00 . A A . 32 ALA C 1 1 4 2120 1 1 33 ALA CA C -11.756 3.699 4.848 1.00 . A A . 32 ALA CA 1 1 4 2121 1 1 33 ALA CB C -11.059 5.004 5.181 1.00 . A A . 32 ALA CB 1 1 4 2122 1 1 33 ALA H H -9.997 3.211 3.787 1.00 . A A . 32 ALA H 1 1 4 2123 1 1 33 ALA HA H -11.992 3.194 5.770 1.00 . A A . 32 ALA HA 1 1 4 2124 1 1 33 ALA HB1 H -11.710 5.617 5.785 1.00 . A A . 32 ALA HB1 1 1 4 2125 1 1 33 ALA HB2 H -10.821 5.523 4.264 1.00 . A A . 32 ALA HB2 1 1 4 2126 1 1 33 ALA HB3 H -10.150 4.795 5.724 1.00 . A A . 32 ALA HB3 1 1 4 2127 1 1 33 ALA N N -10.864 2.849 4.079 1.00 . A A . 32 ALA N 1 1 4 2128 1 1 33 ALA O O -14.129 4.048 4.655 1.00 . A A . 32 ALA O 1 1 4 2129 1 1 34 ASP C C -14.882 3.127 1.695 1.00 . A A . 33 ASP C 1 1 4 2130 1 1 34 ASP CA C -14.043 4.386 1.897 1.00 . A A . 33 ASP CA 1 1 4 2131 1 1 34 ASP CB C -13.561 4.920 0.544 1.00 . A A . 33 ASP CB 1 1 4 2132 1 1 34 ASP CG C -14.691 5.110 -0.450 1.00 . A A . 33 ASP CG 1 1 4 2133 1 1 34 ASP H H -12.006 4.055 2.377 1.00 . A A . 33 ASP H 1 1 4 2134 1 1 34 ASP HA H -14.652 5.137 2.375 1.00 . A A . 33 ASP HA 1 1 4 2135 1 1 34 ASP HB2 H -13.076 5.874 0.692 1.00 . A A . 33 ASP HB2 1 1 4 2136 1 1 34 ASP HB3 H -12.850 4.225 0.123 1.00 . A A . 33 ASP HB3 1 1 4 2137 1 1 34 ASP N N -12.904 4.121 2.769 1.00 . A A . 33 ASP N 1 1 4 2138 1 1 34 ASP O O -16.111 3.185 1.643 1.00 . A A . 33 ASP O 1 1 4 2139 1 1 34 ASP OD1 O -14.814 4.289 -1.383 1.00 . A A . 33 ASP OD1 1 1 4 2140 1 1 34 ASP OD2 O -15.455 6.092 -0.312 1.00 . A A . 33 ASP OD2 1 1 4 2141 1 1 35 TYR C C -15.419 0.158 2.675 1.00 . A A . 34 TYR C 1 1 4 2142 1 1 35 TYR CA C -14.870 0.718 1.368 1.00 . A A . 34 TYR CA 1 1 4 2143 1 1 35 TYR CB C -13.886 -0.269 0.736 1.00 . A A . 34 TYR CB 1 1 4 2144 1 1 35 TYR CD1 C -15.343 -1.456 -0.953 1.00 . A A . 34 TYR CD1 1 1 4 2145 1 1 35 TYR CD2 C -14.330 -2.742 0.777 1.00 . A A . 34 TYR CD2 1 1 4 2146 1 1 35 TYR CE1 C -15.936 -2.597 -1.458 1.00 . A A . 34 TYR CE1 1 1 4 2147 1 1 35 TYR CE2 C -14.916 -3.884 0.280 1.00 . A A . 34 TYR CE2 1 1 4 2148 1 1 35 TYR CG C -14.532 -1.511 0.174 1.00 . A A . 34 TYR CG 1 1 4 2149 1 1 35 TYR CZ C -15.723 -3.787 -0.884 1.00 . A A . 34 TYR CZ 1 1 4 2150 1 1 35 TYR H H -13.228 2.011 1.675 1.00 . A A . 34 TYR H 1 1 4 2151 1 1 35 TYR HA H -15.689 0.882 0.685 1.00 . A A . 34 TYR HA 1 1 4 2152 1 1 35 TYR HB2 H -13.365 0.224 -0.072 1.00 . A A . 34 TYR HB2 1 1 4 2153 1 1 35 TYR HB3 H -13.170 -0.575 1.484 1.00 . A A . 34 TYR HB3 1 1 4 2154 1 1 35 TYR HD1 H -15.510 -0.505 -1.435 1.00 . A A . 34 TYR HD1 1 1 4 2155 1 1 35 TYR HD2 H -13.702 -2.799 1.653 1.00 . A A . 34 TYR HD2 1 1 4 2156 1 1 35 TYR HE1 H -16.563 -2.535 -2.333 1.00 . A A . 34 TYR HE1 1 1 4 2157 1 1 35 TYR HE2 H -14.745 -4.830 0.769 1.00 . A A . 34 TYR HE2 1 1 4 2158 1 1 35 TYR HH H -16.230 -4.961 -2.298 1.00 . A A . 34 TYR HH 1 1 4 2159 1 1 35 TYR N N -14.208 1.993 1.596 1.00 . A A . 34 TYR N 1 1 4 2160 1 1 35 TYR O O -14.669 -0.321 3.524 1.00 . A A . 34 TYR O 1 1 4 2161 1 1 35 TYR OH O -16.306 -4.955 -1.335 1.00 . A A . 34 TYR OH 1 1 4 2162 1 1 36 NH2 HN1 H -17.264 0.632 2.126 1.00 . A A . 35 NH2 HN1 1 1 4 2163 1 1 36 NH2 HN2 H -17.110 -0.126 3.671 1.00 . A A . 35 NH2 HN2 1 1 4 2164 1 1 36 NH2 N N -16.729 0.229 2.841 1.00 . A A . 35 NH2 N 1 1 5 2165 1 1 1 ACE C C -13.121 -1.412 -4.323 1.00 . A A . 0 ACE C 1 1 5 2166 1 1 1 ACE CH3 C -13.820 -0.612 -3.260 1.00 . A A . 0 ACE CH3 1 1 5 2167 1 1 1 ACE H1 H -13.072 -0.114 -2.653 1.00 . A A . 0 ACE H1 1 1 5 2168 1 1 1 ACE H2 H -14.405 -1.269 -2.644 1.00 . A A . 0 ACE H2 1 1 5 2169 1 1 1 ACE H3 H -14.474 0.107 -3.741 1.00 . A A . 0 ACE H3 1 1 5 2170 1 1 1 ACE O O -12.804 -0.898 -5.395 1.00 . A A . 0 ACE O 1 1 5 2171 1 1 2 PRO C C -10.533 -2.489 -3.190 1.00 . A A . 1 PRO C 1 1 5 2172 1 1 2 PRO CA C -11.921 -3.091 -2.987 1.00 . A A . 1 PRO CA 1 1 5 2173 1 1 2 PRO CB C -11.866 -4.620 -3.106 1.00 . A A . 1 PRO CB 1 1 5 2174 1 1 2 PRO CD C -13.444 -3.845 -4.728 1.00 . A A . 1 PRO CD 1 1 5 2175 1 1 2 PRO CG C -12.466 -4.946 -4.430 1.00 . A A . 1 PRO CG 1 1 5 2176 1 1 2 PRO HA H -12.293 -2.815 -2.013 1.00 . A A . 1 PRO HA 1 1 5 2177 1 1 2 PRO HB2 H -10.838 -4.954 -3.056 1.00 . A A . 1 PRO HB2 1 1 5 2178 1 1 2 PRO HB3 H -12.444 -5.075 -2.320 1.00 . A A . 1 PRO HB3 1 1 5 2179 1 1 2 PRO HD2 H -13.512 -3.670 -5.794 1.00 . A A . 1 PRO HD2 1 1 5 2180 1 1 2 PRO HD3 H -14.417 -4.077 -4.319 1.00 . A A . 1 PRO HD3 1 1 5 2181 1 1 2 PRO HG2 H -11.690 -4.982 -5.184 1.00 . A A . 1 PRO HG2 1 1 5 2182 1 1 2 PRO HG3 H -12.982 -5.892 -4.372 1.00 . A A . 1 PRO HG3 1 1 5 2183 1 1 2 PRO N N -12.852 -2.690 -4.044 1.00 . A A . 1 PRO N 1 1 5 2184 1 1 2 PRO O O -10.003 -2.506 -4.304 1.00 . A A . 1 PRO O 1 1 5 2185 1 1 3 PRO C C -7.536 -2.293 -2.673 1.00 . A A . 2 PRO C 1 1 5 2186 1 1 3 PRO CA C -8.606 -1.321 -2.190 1.00 . A A . 2 PRO CA 1 1 5 2187 1 1 3 PRO CB C -8.320 -0.894 -0.745 1.00 . A A . 2 PRO CB 1 1 5 2188 1 1 3 PRO CD C -10.480 -1.916 -0.752 1.00 . A A . 2 PRO CD 1 1 5 2189 1 1 3 PRO CG C -9.270 -1.666 0.101 1.00 . A A . 2 PRO CG 1 1 5 2190 1 1 3 PRO HA H -8.617 -0.452 -2.831 1.00 . A A . 2 PRO HA 1 1 5 2191 1 1 3 PRO HB2 H -7.294 -1.134 -0.489 1.00 . A A . 2 PRO HB2 1 1 5 2192 1 1 3 PRO HB3 H -8.498 0.162 -0.628 1.00 . A A . 2 PRO HB3 1 1 5 2193 1 1 3 PRO HD2 H -10.931 -2.861 -0.495 1.00 . A A . 2 PRO HD2 1 1 5 2194 1 1 3 PRO HD3 H -11.195 -1.113 -0.644 1.00 . A A . 2 PRO HD3 1 1 5 2195 1 1 3 PRO HG2 H -8.816 -2.602 0.401 1.00 . A A . 2 PRO HG2 1 1 5 2196 1 1 3 PRO HG3 H -9.542 -1.088 0.968 1.00 . A A . 2 PRO HG3 1 1 5 2197 1 1 3 PRO N N -9.929 -1.950 -2.118 1.00 . A A . 2 PRO N 1 1 5 2198 1 1 3 PRO O O -7.586 -3.489 -2.372 1.00 . A A . 2 PRO O 1 1 5 2199 1 1 4 THR C C -4.469 -2.897 -2.880 1.00 . A A . 3 THR C 1 1 5 2200 1 1 4 THR CA C -5.513 -2.616 -3.951 1.00 . A A . 3 THR CA 1 1 5 2201 1 1 4 THR CB C -4.841 -1.954 -5.166 1.00 . A A . 3 THR CB 1 1 5 2202 1 1 4 THR CG2 C -3.835 -2.893 -5.809 1.00 . A A . 3 THR CG2 1 1 5 2203 1 1 4 THR H H -6.563 -0.821 -3.609 1.00 . A A . 3 THR H 1 1 5 2204 1 1 4 THR HA H -5.946 -3.551 -4.270 1.00 . A A . 3 THR HA 1 1 5 2205 1 1 4 THR HB H -4.324 -1.067 -4.833 1.00 . A A . 3 THR HB 1 1 5 2206 1 1 4 THR HG1 H -6.710 -1.629 -5.723 1.00 . A A . 3 THR HG1 1 1 5 2207 1 1 4 THR HG21 H -4.337 -3.798 -6.118 1.00 . A A . 3 THR HG21 1 1 5 2208 1 1 4 THR HG22 H -3.063 -3.135 -5.095 1.00 . A A . 3 THR HG22 1 1 5 2209 1 1 4 THR HG23 H -3.395 -2.413 -6.670 1.00 . A A . 3 THR HG23 1 1 5 2210 1 1 4 THR N N -6.572 -1.785 -3.421 1.00 . A A . 3 THR N 1 1 5 2211 1 1 4 THR O O -3.821 -1.980 -2.378 1.00 . A A . 3 THR O 1 1 5 2212 1 1 4 THR OG1 O -5.835 -1.584 -6.132 1.00 . A A . 3 THR OG1 1 1 5 2213 1 1 5 LYS C C -1.941 -4.320 -2.145 1.00 . A A . 4 LYS C 1 1 5 2214 1 1 5 LYS CA C -3.324 -4.570 -1.556 1.00 . A A . 4 LYS CA 1 1 5 2215 1 1 5 LYS CB C -3.490 -6.048 -1.203 1.00 . A A . 4 LYS CB 1 1 5 2216 1 1 5 LYS CD C -4.928 -7.844 -0.183 1.00 . A A . 4 LYS CD 1 1 5 2217 1 1 5 LYS CE C -5.185 -8.634 -1.459 1.00 . A A . 4 LYS CE 1 1 5 2218 1 1 5 LYS CG C -4.780 -6.355 -0.458 1.00 . A A . 4 LYS CG 1 1 5 2219 1 1 5 LYS H H -4.938 -4.837 -2.895 1.00 . A A . 4 LYS H 1 1 5 2220 1 1 5 LYS HA H -3.445 -3.975 -0.666 1.00 . A A . 4 LYS HA 1 1 5 2221 1 1 5 LYS HB2 H -3.483 -6.625 -2.118 1.00 . A A . 4 LYS HB2 1 1 5 2222 1 1 5 LYS HB3 H -2.658 -6.356 -0.585 1.00 . A A . 4 LYS HB3 1 1 5 2223 1 1 5 LYS HD2 H -4.020 -8.206 0.273 1.00 . A A . 4 LYS HD2 1 1 5 2224 1 1 5 LYS HD3 H -5.757 -7.991 0.494 1.00 . A A . 4 LYS HD3 1 1 5 2225 1 1 5 LYS HE2 H -4.412 -8.402 -2.175 1.00 . A A . 4 LYS HE2 1 1 5 2226 1 1 5 LYS HE3 H -5.151 -9.688 -1.225 1.00 . A A . 4 LYS HE3 1 1 5 2227 1 1 5 LYS HG2 H -4.774 -5.827 0.482 1.00 . A A . 4 LYS HG2 1 1 5 2228 1 1 5 LYS HG3 H -5.615 -6.022 -1.055 1.00 . A A . 4 LYS HG3 1 1 5 2229 1 1 5 LYS HZ1 H -6.579 -7.298 -2.261 1.00 . A A . 4 LYS HZ1 1 1 5 2230 1 1 5 LYS HZ2 H -7.271 -8.576 -1.399 1.00 . A A . 4 LYS HZ2 1 1 5 2231 1 1 5 LYS HZ3 H -6.639 -8.844 -2.941 1.00 . A A . 4 LYS HZ3 1 1 5 2232 1 1 5 LYS N N -4.338 -4.162 -2.510 1.00 . A A . 4 LYS N 1 1 5 2233 1 1 5 LYS NZ N -6.510 -8.314 -2.056 1.00 . A A . 4 LYS NZ 1 1 5 2234 1 1 5 LYS O O -1.628 -4.837 -3.219 1.00 . A A . 4 LYS O 1 1 5 2235 1 1 6 PRO C C 1.053 -4.291 -2.429 1.00 . A A . 5 PRO C 1 1 5 2236 1 1 6 PRO CA C 0.203 -3.107 -1.979 1.00 . A A . 5 PRO CA 1 1 5 2237 1 1 6 PRO CB C 0.863 -2.382 -0.800 1.00 . A A . 5 PRO CB 1 1 5 2238 1 1 6 PRO CD C -1.362 -2.935 -0.135 1.00 . A A . 5 PRO CD 1 1 5 2239 1 1 6 PRO CG C 0.026 -2.701 0.390 1.00 . A A . 5 PRO CG 1 1 5 2240 1 1 6 PRO HA H 0.095 -2.421 -2.805 1.00 . A A . 5 PRO HA 1 1 5 2241 1 1 6 PRO HB2 H 1.876 -2.745 -0.670 1.00 . A A . 5 PRO HB2 1 1 5 2242 1 1 6 PRO HB3 H 0.866 -1.318 -0.977 1.00 . A A . 5 PRO HB3 1 1 5 2243 1 1 6 PRO HD2 H -1.897 -3.629 0.501 1.00 . A A . 5 PRO HD2 1 1 5 2244 1 1 6 PRO HD3 H -1.900 -1.999 -0.220 1.00 . A A . 5 PRO HD3 1 1 5 2245 1 1 6 PRO HG2 H 0.406 -3.594 0.875 1.00 . A A . 5 PRO HG2 1 1 5 2246 1 1 6 PRO HG3 H 0.029 -1.867 1.075 1.00 . A A . 5 PRO HG3 1 1 5 2247 1 1 6 PRO N N -1.105 -3.515 -1.462 1.00 . A A . 5 PRO N 1 1 5 2248 1 1 6 PRO O O 1.505 -5.104 -1.620 1.00 . A A . 5 PRO O 1 1 5 2249 1 1 7 THR C C 3.511 -5.124 -4.246 1.00 . A A . 6 THR C 1 1 5 2250 1 1 7 THR CA C 2.022 -5.447 -4.337 1.00 . A A . 6 THR CA 1 1 5 2251 1 1 7 THR CB C 1.612 -5.634 -5.805 1.00 . A A . 6 THR CB 1 1 5 2252 1 1 7 THR CG2 C 2.157 -6.935 -6.371 1.00 . A A . 6 THR CG2 1 1 5 2253 1 1 7 THR H H 0.828 -3.712 -4.321 1.00 . A A . 6 THR H 1 1 5 2254 1 1 7 THR HA H 1.823 -6.362 -3.805 1.00 . A A . 6 THR HA 1 1 5 2255 1 1 7 THR HB H 2.005 -4.811 -6.380 1.00 . A A . 6 THR HB 1 1 5 2256 1 1 7 THR HG1 H -0.197 -5.794 -5.024 1.00 . A A . 6 THR HG1 1 1 5 2257 1 1 7 THR HG21 H 3.235 -6.924 -6.321 1.00 . A A . 6 THR HG21 1 1 5 2258 1 1 7 THR HG22 H 1.844 -7.039 -7.399 1.00 . A A . 6 THR HG22 1 1 5 2259 1 1 7 THR HG23 H 1.778 -7.764 -5.792 1.00 . A A . 6 THR HG23 1 1 5 2260 1 1 7 THR N N 1.239 -4.386 -3.735 1.00 . A A . 6 THR N 1 1 5 2261 1 1 7 THR O O 4.368 -5.983 -4.449 1.00 . A A . 6 THR O 1 1 5 2262 1 1 7 THR OG1 O 0.179 -5.635 -5.900 1.00 . A A . 6 THR OG1 1 1 5 2263 1 1 8 LYS C C 5.869 -4.089 -2.614 1.00 . A A . 7 LYS C 1 1 5 2264 1 1 8 LYS CA C 5.179 -3.411 -3.798 1.00 . A A . 7 LYS CA 1 1 5 2265 1 1 8 LYS CB C 5.201 -1.884 -3.643 1.00 . A A . 7 LYS CB 1 1 5 2266 1 1 8 LYS CD C 4.541 0.344 -4.624 1.00 . A A . 7 LYS CD 1 1 5 2267 1 1 8 LYS CE C 3.613 1.048 -5.607 1.00 . A A . 7 LYS CE 1 1 5 2268 1 1 8 LYS CG C 4.411 -1.167 -4.726 1.00 . A A . 7 LYS CG 1 1 5 2269 1 1 8 LYS H H 3.072 -3.248 -3.753 1.00 . A A . 7 LYS H 1 1 5 2270 1 1 8 LYS HA H 5.697 -3.681 -4.703 1.00 . A A . 7 LYS HA 1 1 5 2271 1 1 8 LYS HB2 H 4.778 -1.623 -2.687 1.00 . A A . 7 LYS HB2 1 1 5 2272 1 1 8 LYS HB3 H 6.225 -1.539 -3.682 1.00 . A A . 7 LYS HB3 1 1 5 2273 1 1 8 LYS HD2 H 4.287 0.651 -3.620 1.00 . A A . 7 LYS HD2 1 1 5 2274 1 1 8 LYS HD3 H 5.561 0.623 -4.841 1.00 . A A . 7 LYS HD3 1 1 5 2275 1 1 8 LYS HE2 H 2.591 0.878 -5.303 1.00 . A A . 7 LYS HE2 1 1 5 2276 1 1 8 LYS HE3 H 3.822 2.108 -5.580 1.00 . A A . 7 LYS HE3 1 1 5 2277 1 1 8 LYS HG2 H 4.782 -1.482 -5.691 1.00 . A A . 7 LYS HG2 1 1 5 2278 1 1 8 LYS HG3 H 3.369 -1.441 -4.634 1.00 . A A . 7 LYS HG3 1 1 5 2279 1 1 8 LYS HZ1 H 3.120 1.035 -7.639 1.00 . A A . 7 LYS HZ1 1 1 5 2280 1 1 8 LYS HZ2 H 3.620 -0.468 -7.049 1.00 . A A . 7 LYS HZ2 1 1 5 2281 1 1 8 LYS HZ3 H 4.757 0.749 -7.331 1.00 . A A . 7 LYS HZ3 1 1 5 2282 1 1 8 LYS N N 3.804 -3.875 -3.919 1.00 . A A . 7 LYS N 1 1 5 2283 1 1 8 LYS NZ N 3.791 0.557 -7.002 1.00 . A A . 7 LYS NZ 1 1 5 2284 1 1 8 LYS O O 5.207 -4.535 -1.677 1.00 . A A . 7 LYS O 1 1 5 2285 1 1 9 PRO C C 7.919 -4.069 -0.280 1.00 . A A . 8 PRO C 1 1 5 2286 1 1 9 PRO CA C 7.980 -4.844 -1.593 1.00 . A A . 8 PRO CA 1 1 5 2287 1 1 9 PRO CB C 9.409 -4.849 -2.138 1.00 . A A . 8 PRO CB 1 1 5 2288 1 1 9 PRO CD C 8.058 -3.765 -3.774 1.00 . A A . 8 PRO CD 1 1 5 2289 1 1 9 PRO CG C 9.434 -3.782 -3.170 1.00 . A A . 8 PRO CG 1 1 5 2290 1 1 9 PRO HA H 7.658 -5.860 -1.419 1.00 . A A . 8 PRO HA 1 1 5 2291 1 1 9 PRO HB2 H 10.108 -4.632 -1.339 1.00 . A A . 8 PRO HB2 1 1 5 2292 1 1 9 PRO HB3 H 9.633 -5.803 -2.583 1.00 . A A . 8 PRO HB3 1 1 5 2293 1 1 9 PRO HD2 H 7.789 -2.763 -4.085 1.00 . A A . 8 PRO HD2 1 1 5 2294 1 1 9 PRO HD3 H 7.996 -4.452 -4.606 1.00 . A A . 8 PRO HD3 1 1 5 2295 1 1 9 PRO HG2 H 9.658 -2.833 -2.704 1.00 . A A . 8 PRO HG2 1 1 5 2296 1 1 9 PRO HG3 H 10.168 -4.014 -3.927 1.00 . A A . 8 PRO HG3 1 1 5 2297 1 1 9 PRO N N 7.201 -4.212 -2.663 1.00 . A A . 8 PRO N 1 1 5 2298 1 1 9 PRO O O 7.920 -2.837 -0.266 1.00 . A A . 8 PRO O 1 1 5 2299 1 1 10 GLY C C 8.691 -4.933 3.124 1.00 . A A . 9 GLY C 1 1 5 2300 1 1 10 GLY CA C 7.822 -4.199 2.126 1.00 . A A . 9 GLY CA 1 1 5 2301 1 1 10 GLY H H 7.887 -5.780 0.732 1.00 . A A . 9 GLY H 1 1 5 2302 1 1 10 GLY HA2 H 8.156 -3.175 2.054 1.00 . A A . 9 GLY HA2 1 1 5 2303 1 1 10 GLY HA3 H 6.801 -4.211 2.477 1.00 . A A . 9 GLY HA3 1 1 5 2304 1 1 10 GLY N N 7.877 -4.806 0.815 1.00 . A A . 9 GLY N 1 1 5 2305 1 1 10 GLY O O 9.234 -4.330 4.052 1.00 . A A . 9 GLY O 1 1 5 2306 1 1 11 ASP C C 11.118 -6.811 3.563 1.00 . A A . 10 ASP C 1 1 5 2307 1 1 11 ASP CA C 9.641 -7.066 3.812 1.00 . A A . 10 ASP CA 1 1 5 2308 1 1 11 ASP CB C 9.331 -8.553 3.611 1.00 . A A . 10 ASP CB 1 1 5 2309 1 1 11 ASP CG C 7.890 -8.898 3.925 1.00 . A A . 10 ASP CG 1 1 5 2310 1 1 11 ASP H H 8.375 -6.656 2.168 1.00 . A A . 10 ASP H 1 1 5 2311 1 1 11 ASP HA H 9.408 -6.792 4.828 1.00 . A A . 10 ASP HA 1 1 5 2312 1 1 11 ASP HB2 H 9.527 -8.818 2.584 1.00 . A A . 10 ASP HB2 1 1 5 2313 1 1 11 ASP HB3 H 9.970 -9.136 4.257 1.00 . A A . 10 ASP HB3 1 1 5 2314 1 1 11 ASP N N 8.830 -6.237 2.927 1.00 . A A . 10 ASP N 1 1 5 2315 1 1 11 ASP O O 11.878 -6.531 4.489 1.00 . A A . 10 ASP O 1 1 5 2316 1 1 11 ASP OD1 O 7.561 -9.084 5.118 1.00 . A A . 10 ASP OD1 1 1 5 2317 1 1 11 ASP OD2 O 7.076 -8.988 2.979 1.00 . A A . 10 ASP OD2 1 1 5 2318 1 1 12 ASN C C 12.959 -5.520 0.885 1.00 . A A . 11 ASN C 1 1 5 2319 1 1 12 ASN CA C 12.898 -6.621 1.935 1.00 . A A . 11 ASN CA 1 1 5 2320 1 1 12 ASN CB C 13.587 -7.887 1.416 1.00 . A A . 11 ASN CB 1 1 5 2321 1 1 12 ASN CG C 15.025 -7.633 0.992 1.00 . A A . 11 ASN CG 1 1 5 2322 1 1 12 ASN H H 10.870 -7.127 1.612 1.00 . A A . 11 ASN H 1 1 5 2323 1 1 12 ASN HA H 13.412 -6.285 2.821 1.00 . A A . 11 ASN HA 1 1 5 2324 1 1 12 ASN HB2 H 13.587 -8.634 2.195 1.00 . A A . 11 ASN HB2 1 1 5 2325 1 1 12 ASN HB3 H 13.041 -8.261 0.562 1.00 . A A . 11 ASN HB3 1 1 5 2326 1 1 12 ASN HD21 H 15.679 -8.002 2.834 1.00 . A A . 11 ASN HD21 1 1 5 2327 1 1 12 ASN HD22 H 16.890 -7.588 1.671 1.00 . A A . 11 ASN HD22 1 1 5 2328 1 1 12 ASN N N 11.519 -6.890 2.307 1.00 . A A . 11 ASN N 1 1 5 2329 1 1 12 ASN ND2 N 15.957 -7.755 1.925 1.00 . A A . 11 ASN ND2 1 1 5 2330 1 1 12 ASN O O 12.699 -5.759 -0.299 1.00 . A A . 11 ASN O 1 1 5 2331 1 1 12 ASN OD1 O 15.297 -7.326 -0.168 1.00 . A A . 11 ASN OD1 1 1 5 2332 1 1 13 ALA C C 14.116 -2.025 1.095 1.00 . A A . 12 ALA C 1 1 5 2333 1 1 13 ALA CA C 13.358 -3.166 0.437 1.00 . A A . 12 ALA CA 1 1 5 2334 1 1 13 ALA CB C 11.967 -2.707 0.031 1.00 . A A . 12 ALA CB 1 1 5 2335 1 1 13 ALA H H 13.458 -4.179 2.284 1.00 . A A . 12 ALA H 1 1 5 2336 1 1 13 ALA HA H 13.887 -3.470 -0.452 1.00 . A A . 12 ALA HA 1 1 5 2337 1 1 13 ALA HB1 H 12.050 -1.917 -0.699 1.00 . A A . 12 ALA HB1 1 1 5 2338 1 1 13 ALA HB2 H 11.441 -2.341 0.901 1.00 . A A . 12 ALA HB2 1 1 5 2339 1 1 13 ALA HB3 H 11.426 -3.536 -0.396 1.00 . A A . 12 ALA HB3 1 1 5 2340 1 1 13 ALA N N 13.274 -4.309 1.328 1.00 . A A . 12 ALA N 1 1 5 2341 1 1 13 ALA O O 14.239 -1.972 2.319 1.00 . A A . 12 ALA O 1 1 5 2342 1 1 14 THR C C 14.260 1.067 1.257 1.00 . A A . 13 THR C 1 1 5 2343 1 1 14 THR CA C 15.294 0.066 0.766 1.00 . A A . 13 THR CA 1 1 5 2344 1 1 14 THR CB C 16.146 0.703 -0.344 1.00 . A A . 13 THR CB 1 1 5 2345 1 1 14 THR CG2 C 17.296 -0.211 -0.721 1.00 . A A . 13 THR CG2 1 1 5 2346 1 1 14 THR H H 14.568 -1.269 -0.690 1.00 . A A . 13 THR H 1 1 5 2347 1 1 14 THR HA H 15.942 -0.209 1.585 1.00 . A A . 13 THR HA 1 1 5 2348 1 1 14 THR HB H 16.548 1.635 0.021 1.00 . A A . 13 THR HB 1 1 5 2349 1 1 14 THR HG1 H 15.903 1.054 -2.275 1.00 . A A . 13 THR HG1 1 1 5 2350 1 1 14 THR HG21 H 16.901 -1.142 -1.099 1.00 . A A . 13 THR HG21 1 1 5 2351 1 1 14 THR HG22 H 17.900 -0.404 0.153 1.00 . A A . 13 THR HG22 1 1 5 2352 1 1 14 THR HG23 H 17.898 0.264 -1.480 1.00 . A A . 13 THR HG23 1 1 5 2353 1 1 14 THR N N 14.632 -1.128 0.277 1.00 . A A . 13 THR N 1 1 5 2354 1 1 14 THR O O 13.120 1.044 0.802 1.00 . A A . 13 THR O 1 1 5 2355 1 1 14 THR OG1 O 15.335 0.959 -1.499 1.00 . A A . 13 THR OG1 1 1 5 2356 1 1 15 PRO C C 13.127 3.838 1.620 1.00 . A A . 14 PRO C 1 1 5 2357 1 1 15 PRO CA C 13.713 2.966 2.724 1.00 . A A . 14 PRO CA 1 1 5 2358 1 1 15 PRO CB C 14.588 3.796 3.673 1.00 . A A . 14 PRO CB 1 1 5 2359 1 1 15 PRO CD C 15.964 2.059 2.796 1.00 . A A . 14 PRO CD 1 1 5 2360 1 1 15 PRO CG C 15.989 3.473 3.308 1.00 . A A . 14 PRO CG 1 1 5 2361 1 1 15 PRO HA H 12.907 2.509 3.278 1.00 . A A . 14 PRO HA 1 1 5 2362 1 1 15 PRO HB2 H 14.387 4.849 3.532 1.00 . A A . 14 PRO HB2 1 1 5 2363 1 1 15 PRO HB3 H 14.402 3.513 4.696 1.00 . A A . 14 PRO HB3 1 1 5 2364 1 1 15 PRO HD2 H 16.738 1.906 2.060 1.00 . A A . 14 PRO HD2 1 1 5 2365 1 1 15 PRO HD3 H 16.068 1.356 3.609 1.00 . A A . 14 PRO HD3 1 1 5 2366 1 1 15 PRO HG2 H 16.328 4.158 2.535 1.00 . A A . 14 PRO HG2 1 1 5 2367 1 1 15 PRO HG3 H 16.621 3.538 4.181 1.00 . A A . 14 PRO HG3 1 1 5 2368 1 1 15 PRO N N 14.632 1.958 2.188 1.00 . A A . 14 PRO N 1 1 5 2369 1 1 15 PRO O O 11.997 4.314 1.724 1.00 . A A . 14 PRO O 1 1 5 2370 1 1 16 GLU C C 12.252 4.053 -1.257 1.00 . A A . 15 GLU C 1 1 5 2371 1 1 16 GLU CA C 13.446 4.754 -0.615 1.00 . A A . 15 GLU CA 1 1 5 2372 1 1 16 GLU CB C 14.590 4.873 -1.622 1.00 . A A . 15 GLU CB 1 1 5 2373 1 1 16 GLU CD C 15.311 5.544 -3.939 1.00 . A A . 15 GLU CD 1 1 5 2374 1 1 16 GLU CG C 14.214 5.607 -2.899 1.00 . A A . 15 GLU CG 1 1 5 2375 1 1 16 GLU H H 14.797 3.623 0.548 1.00 . A A . 15 GLU H 1 1 5 2376 1 1 16 GLU HA H 13.150 5.738 -0.293 1.00 . A A . 15 GLU HA 1 1 5 2377 1 1 16 GLU HB2 H 15.407 5.405 -1.154 1.00 . A A . 15 GLU HB2 1 1 5 2378 1 1 16 GLU HB3 H 14.926 3.880 -1.886 1.00 . A A . 15 GLU HB3 1 1 5 2379 1 1 16 GLU HG2 H 13.319 5.161 -3.311 1.00 . A A . 15 GLU HG2 1 1 5 2380 1 1 16 GLU HG3 H 14.022 6.641 -2.659 1.00 . A A . 15 GLU HG3 1 1 5 2381 1 1 16 GLU N N 13.897 4.012 0.551 1.00 . A A . 15 GLU N 1 1 5 2382 1 1 16 GLU O O 11.227 4.672 -1.547 1.00 . A A . 15 GLU O 1 1 5 2383 1 1 16 GLU OE1 O 15.287 4.622 -4.781 1.00 . A A . 15 GLU OE1 1 1 5 2384 1 1 16 GLU OE2 O 16.207 6.413 -3.919 1.00 . A A . 15 GLU OE2 1 1 5 2385 1 1 17 LYS C C 10.226 1.662 -1.103 1.00 . A A . 16 LYS C 1 1 5 2386 1 1 17 LYS CA C 11.357 1.953 -2.086 1.00 . A A . 16 LYS CA 1 1 5 2387 1 1 17 LYS CB C 11.968 0.654 -2.619 1.00 . A A . 16 LYS CB 1 1 5 2388 1 1 17 LYS CD C 11.724 -1.380 -4.083 1.00 . A A . 16 LYS CD 1 1 5 2389 1 1 17 LYS CE C 12.898 -1.013 -4.983 1.00 . A A . 16 LYS CE 1 1 5 2390 1 1 17 LYS CG C 11.032 -0.151 -3.507 1.00 . A A . 16 LYS CG 1 1 5 2391 1 1 17 LYS H H 13.206 2.305 -1.133 1.00 . A A . 16 LYS H 1 1 5 2392 1 1 17 LYS HA H 10.962 2.525 -2.909 1.00 . A A . 16 LYS HA 1 1 5 2393 1 1 17 LYS HB2 H 12.852 0.896 -3.191 1.00 . A A . 16 LYS HB2 1 1 5 2394 1 1 17 LYS HB3 H 12.252 0.038 -1.780 1.00 . A A . 16 LYS HB3 1 1 5 2395 1 1 17 LYS HD2 H 12.088 -1.988 -3.269 1.00 . A A . 16 LYS HD2 1 1 5 2396 1 1 17 LYS HD3 H 11.005 -1.946 -4.659 1.00 . A A . 16 LYS HD3 1 1 5 2397 1 1 17 LYS HE2 H 13.622 -0.461 -4.402 1.00 . A A . 16 LYS HE2 1 1 5 2398 1 1 17 LYS HE3 H 13.353 -1.923 -5.347 1.00 . A A . 16 LYS HE3 1 1 5 2399 1 1 17 LYS HG2 H 10.183 -0.470 -2.923 1.00 . A A . 16 LYS HG2 1 1 5 2400 1 1 17 LYS HG3 H 10.697 0.476 -4.320 1.00 . A A . 16 LYS HG3 1 1 5 2401 1 1 17 LYS HZ1 H 12.044 0.701 -5.819 1.00 . A A . 16 LYS HZ1 1 1 5 2402 1 1 17 LYS HZ2 H 11.794 -0.701 -6.730 1.00 . A A . 16 LYS HZ2 1 1 5 2403 1 1 17 LYS HZ3 H 13.307 0.050 -6.733 1.00 . A A . 16 LYS HZ3 1 1 5 2404 1 1 17 LYS N N 12.389 2.749 -1.443 1.00 . A A . 16 LYS N 1 1 5 2405 1 1 17 LYS NZ N 12.482 -0.184 -6.145 1.00 . A A . 16 LYS NZ 1 1 5 2406 1 1 17 LYS O O 9.058 1.599 -1.485 1.00 . A A . 16 LYS O 1 1 5 2407 1 1 18 LEU C C 8.689 2.514 1.346 1.00 . A A . 17 LEU C 1 1 5 2408 1 1 18 LEU CA C 9.608 1.310 1.225 1.00 . A A . 17 LEU CA 1 1 5 2409 1 1 18 LEU CB C 10.304 1.062 2.562 1.00 . A A . 17 LEU CB 1 1 5 2410 1 1 18 LEU CD1 C 11.663 -0.412 4.059 1.00 . A A . 17 LEU CD1 1 1 5 2411 1 1 18 LEU CD2 C 9.957 -1.411 2.530 1.00 . A A . 17 LEU CD2 1 1 5 2412 1 1 18 LEU CG C 10.977 -0.299 2.708 1.00 . A A . 17 LEU CG 1 1 5 2413 1 1 18 LEU H H 11.541 1.499 0.396 1.00 . A A . 17 LEU H 1 1 5 2414 1 1 18 LEU HA H 9.017 0.446 0.973 1.00 . A A . 17 LEU HA 1 1 5 2415 1 1 18 LEU HB2 H 11.057 1.823 2.692 1.00 . A A . 17 LEU HB2 1 1 5 2416 1 1 18 LEU HB3 H 9.574 1.167 3.349 1.00 . A A . 17 LEU HB3 1 1 5 2417 1 1 18 LEU HD11 H 12.381 0.386 4.167 1.00 . A A . 17 LEU HD11 1 1 5 2418 1 1 18 LEU HD12 H 12.171 -1.362 4.126 1.00 . A A . 17 LEU HD12 1 1 5 2419 1 1 18 LEU HD13 H 10.927 -0.342 4.844 1.00 . A A . 17 LEU HD13 1 1 5 2420 1 1 18 LEU HD21 H 9.589 -1.401 1.515 1.00 . A A . 17 LEU HD21 1 1 5 2421 1 1 18 LEU HD22 H 9.136 -1.259 3.214 1.00 . A A . 17 LEU HD22 1 1 5 2422 1 1 18 LEU HD23 H 10.423 -2.364 2.734 1.00 . A A . 17 LEU HD23 1 1 5 2423 1 1 18 LEU HG H 11.730 -0.407 1.940 1.00 . A A . 17 LEU HG 1 1 5 2424 1 1 18 LEU N N 10.586 1.504 0.166 1.00 . A A . 17 LEU N 1 1 5 2425 1 1 18 LEU O O 7.517 2.372 1.675 1.00 . A A . 17 LEU O 1 1 5 2426 1 1 19 ALA C C 7.319 4.831 0.060 1.00 . A A . 18 ALA C 1 1 5 2427 1 1 19 ALA CA C 8.428 4.912 1.097 1.00 . A A . 18 ALA CA 1 1 5 2428 1 1 19 ALA CB C 9.306 6.121 0.840 1.00 . A A . 18 ALA CB 1 1 5 2429 1 1 19 ALA H H 10.181 3.757 0.872 1.00 . A A . 18 ALA H 1 1 5 2430 1 1 19 ALA HA H 7.992 5.009 2.077 1.00 . A A . 18 ALA HA 1 1 5 2431 1 1 19 ALA HB1 H 9.741 6.043 -0.145 1.00 . A A . 18 ALA HB1 1 1 5 2432 1 1 19 ALA HB2 H 10.090 6.158 1.580 1.00 . A A . 18 ALA HB2 1 1 5 2433 1 1 19 ALA HB3 H 8.708 7.017 0.901 1.00 . A A . 18 ALA HB3 1 1 5 2434 1 1 19 ALA N N 9.225 3.698 1.079 1.00 . A A . 18 ALA N 1 1 5 2435 1 1 19 ALA O O 6.186 5.247 0.305 1.00 . A A . 18 ALA O 1 1 5 2436 1 1 20 LYS C C 5.640 3.041 -1.740 1.00 . A A . 19 LYS C 1 1 5 2437 1 1 20 LYS CA C 6.678 4.081 -2.155 1.00 . A A . 19 LYS CA 1 1 5 2438 1 1 20 LYS CB C 7.382 3.668 -3.449 1.00 . A A . 19 LYS CB 1 1 5 2439 1 1 20 LYS CD C 7.197 3.376 -5.945 1.00 . A A . 19 LYS CD 1 1 5 2440 1 1 20 LYS CE C 8.128 2.173 -5.950 1.00 . A A . 19 LYS CE 1 1 5 2441 1 1 20 LYS CG C 6.443 3.519 -4.634 1.00 . A A . 19 LYS CG 1 1 5 2442 1 1 20 LYS H H 8.575 3.979 -1.235 1.00 . A A . 19 LYS H 1 1 5 2443 1 1 20 LYS HA H 6.177 5.024 -2.312 1.00 . A A . 19 LYS HA 1 1 5 2444 1 1 20 LYS HB2 H 8.124 4.412 -3.694 1.00 . A A . 19 LYS HB2 1 1 5 2445 1 1 20 LYS HB3 H 7.875 2.721 -3.287 1.00 . A A . 19 LYS HB3 1 1 5 2446 1 1 20 LYS HD2 H 6.482 3.262 -6.746 1.00 . A A . 19 LYS HD2 1 1 5 2447 1 1 20 LYS HD3 H 7.779 4.269 -6.110 1.00 . A A . 19 LYS HD3 1 1 5 2448 1 1 20 LYS HE2 H 8.849 2.288 -5.155 1.00 . A A . 19 LYS HE2 1 1 5 2449 1 1 20 LYS HE3 H 7.546 1.279 -5.782 1.00 . A A . 19 LYS HE3 1 1 5 2450 1 1 20 LYS HG2 H 5.830 2.644 -4.486 1.00 . A A . 19 LYS HG2 1 1 5 2451 1 1 20 LYS HG3 H 5.814 4.395 -4.687 1.00 . A A . 19 LYS HG3 1 1 5 2452 1 1 20 LYS HZ1 H 9.403 2.908 -7.431 1.00 . A A . 19 LYS HZ1 1 1 5 2453 1 1 20 LYS HZ2 H 8.171 1.912 -8.021 1.00 . A A . 19 LYS HZ2 1 1 5 2454 1 1 20 LYS HZ3 H 9.495 1.232 -7.217 1.00 . A A . 19 LYS HZ3 1 1 5 2455 1 1 20 LYS N N 7.650 4.271 -1.095 1.00 . A A . 19 LYS N 1 1 5 2456 1 1 20 LYS NZ N 8.849 2.047 -7.244 1.00 . A A . 19 LYS NZ 1 1 5 2457 1 1 20 LYS O O 4.456 3.162 -2.064 1.00 . A A . 19 LYS O 1 1 5 2458 1 1 21 TYR C C 4.264 1.686 0.573 1.00 . A A . 20 TYR C 1 1 5 2459 1 1 21 TYR CA C 5.199 1.030 -0.435 1.00 . A A . 20 TYR CA 1 1 5 2460 1 1 21 TYR CB C 6.003 -0.088 0.241 1.00 . A A . 20 TYR CB 1 1 5 2461 1 1 21 TYR CD1 C 4.614 -2.197 0.173 1.00 . A A . 20 TYR CD1 1 1 5 2462 1 1 21 TYR CD2 C 4.861 -1.091 2.267 1.00 . A A . 20 TYR CD2 1 1 5 2463 1 1 21 TYR CE1 C 3.824 -3.161 0.771 1.00 . A A . 20 TYR CE1 1 1 5 2464 1 1 21 TYR CE2 C 4.073 -2.052 2.873 1.00 . A A . 20 TYR CE2 1 1 5 2465 1 1 21 TYR CG C 5.144 -1.145 0.907 1.00 . A A . 20 TYR CG 1 1 5 2466 1 1 21 TYR CZ C 3.556 -3.084 2.119 1.00 . A A . 20 TYR CZ 1 1 5 2467 1 1 21 TYR H H 7.060 1.945 -0.854 1.00 . A A . 20 TYR H 1 1 5 2468 1 1 21 TYR HA H 4.611 0.608 -1.236 1.00 . A A . 20 TYR HA 1 1 5 2469 1 1 21 TYR HB2 H 6.614 -0.577 -0.502 1.00 . A A . 20 TYR HB2 1 1 5 2470 1 1 21 TYR HB3 H 6.642 0.347 0.997 1.00 . A A . 20 TYR HB3 1 1 5 2471 1 1 21 TYR HD1 H 4.826 -2.257 -0.883 1.00 . A A . 20 TYR HD1 1 1 5 2472 1 1 21 TYR HD2 H 5.268 -0.281 2.856 1.00 . A A . 20 TYR HD2 1 1 5 2473 1 1 21 TYR HE1 H 3.422 -3.970 0.180 1.00 . A A . 20 TYR HE1 1 1 5 2474 1 1 21 TYR HE2 H 3.864 -1.991 3.930 1.00 . A A . 20 TYR HE2 1 1 5 2475 1 1 21 TYR HH H 2.135 -3.615 3.315 1.00 . A A . 20 TYR HH 1 1 5 2476 1 1 21 TYR N N 6.094 2.027 -1.009 1.00 . A A . 20 TYR N 1 1 5 2477 1 1 21 TYR O O 3.060 1.442 0.565 1.00 . A A . 20 TYR O 1 1 5 2478 1 1 21 TYR OH O 2.763 -4.043 2.715 1.00 . A A . 20 TYR OH 1 1 5 2479 1 1 22 GLN C C 3.026 4.149 1.796 1.00 . A A . 21 GLN C 1 1 5 2480 1 1 22 GLN CA C 4.061 3.244 2.440 1.00 . A A . 21 GLN CA 1 1 5 2481 1 1 22 GLN CB C 4.994 4.071 3.324 1.00 . A A . 21 GLN CB 1 1 5 2482 1 1 22 GLN CD C 7.030 4.056 4.824 1.00 . A A . 21 GLN CD 1 1 5 2483 1 1 22 GLN CG C 5.937 3.231 4.170 1.00 . A A . 21 GLN CG 1 1 5 2484 1 1 22 GLN H H 5.801 2.681 1.374 1.00 . A A . 21 GLN H 1 1 5 2485 1 1 22 GLN HA H 3.552 2.513 3.049 1.00 . A A . 21 GLN HA 1 1 5 2486 1 1 22 GLN HB2 H 5.588 4.716 2.694 1.00 . A A . 21 GLN HB2 1 1 5 2487 1 1 22 GLN HB3 H 4.397 4.680 3.985 1.00 . A A . 21 GLN HB3 1 1 5 2488 1 1 22 GLN HE21 H 8.263 2.497 4.795 1.00 . A A . 21 GLN HE21 1 1 5 2489 1 1 22 GLN HE22 H 8.907 3.954 5.468 1.00 . A A . 21 GLN HE22 1 1 5 2490 1 1 22 GLN HG2 H 5.365 2.741 4.943 1.00 . A A . 21 GLN HG2 1 1 5 2491 1 1 22 GLN HG3 H 6.397 2.487 3.537 1.00 . A A . 21 GLN HG3 1 1 5 2492 1 1 22 GLN N N 4.829 2.533 1.426 1.00 . A A . 21 GLN N 1 1 5 2493 1 1 22 GLN NE2 N 8.180 3.441 5.052 1.00 . A A . 21 GLN NE2 1 1 5 2494 1 1 22 GLN O O 1.914 4.293 2.301 1.00 . A A . 21 GLN O 1 1 5 2495 1 1 22 GLN OE1 O 6.842 5.236 5.125 1.00 . A A . 21 GLN OE1 1 1 5 2496 1 1 23 ALA C C 1.363 4.825 -0.688 1.00 . A A . 22 ALA C 1 1 5 2497 1 1 23 ALA CA C 2.499 5.620 -0.057 1.00 . A A . 22 ALA CA 1 1 5 2498 1 1 23 ALA CB C 3.267 6.381 -1.120 1.00 . A A . 22 ALA CB 1 1 5 2499 1 1 23 ALA H H 4.311 4.617 0.342 1.00 . A A . 22 ALA H 1 1 5 2500 1 1 23 ALA HA H 2.084 6.333 0.638 1.00 . A A . 22 ALA HA 1 1 5 2501 1 1 23 ALA HB1 H 4.038 6.975 -0.650 1.00 . A A . 22 ALA HB1 1 1 5 2502 1 1 23 ALA HB2 H 2.591 7.027 -1.661 1.00 . A A . 22 ALA HB2 1 1 5 2503 1 1 23 ALA HB3 H 3.722 5.679 -1.803 1.00 . A A . 22 ALA HB3 1 1 5 2504 1 1 23 ALA N N 3.397 4.750 0.678 1.00 . A A . 22 ALA N 1 1 5 2505 1 1 23 ALA O O 0.221 5.284 -0.735 1.00 . A A . 22 ALA O 1 1 5 2506 1 1 24 ASP C C -0.213 2.145 -0.705 1.00 . A A . 23 ASP C 1 1 5 2507 1 1 24 ASP CA C 0.669 2.770 -1.783 1.00 . A A . 23 ASP CA 1 1 5 2508 1 1 24 ASP CB C 1.335 1.687 -2.642 1.00 . A A . 23 ASP CB 1 1 5 2509 1 1 24 ASP CG C 0.361 1.005 -3.589 1.00 . A A . 23 ASP CG 1 1 5 2510 1 1 24 ASP H H 2.600 3.305 -1.083 1.00 . A A . 23 ASP H 1 1 5 2511 1 1 24 ASP HA H 0.057 3.396 -2.416 1.00 . A A . 23 ASP HA 1 1 5 2512 1 1 24 ASP HB2 H 2.120 2.137 -3.233 1.00 . A A . 23 ASP HB2 1 1 5 2513 1 1 24 ASP HB3 H 1.763 0.935 -1.991 1.00 . A A . 23 ASP HB3 1 1 5 2514 1 1 24 ASP N N 1.675 3.624 -1.159 1.00 . A A . 23 ASP N 1 1 5 2515 1 1 24 ASP O O -1.410 1.952 -0.894 1.00 . A A . 23 ASP O 1 1 5 2516 1 1 24 ASP OD1 O -0.193 -0.055 -3.214 1.00 . A A . 23 ASP OD1 1 1 5 2517 1 1 24 ASP OD2 O 0.125 1.529 -4.694 1.00 . A A . 23 ASP OD2 1 1 5 2518 1 1 25 LEU C C -1.280 2.475 2.108 1.00 . A A . 24 LEU C 1 1 5 2519 1 1 25 LEU CA C -0.341 1.374 1.608 1.00 . A A . 24 LEU CA 1 1 5 2520 1 1 25 LEU CB C 0.655 0.926 2.703 1.00 . A A . 24 LEU CB 1 1 5 2521 1 1 25 LEU CD1 C -0.435 1.301 4.941 1.00 . A A . 24 LEU CD1 1 1 5 2522 1 1 25 LEU CD2 C -1.061 -0.698 3.585 1.00 . A A . 24 LEU CD2 1 1 5 2523 1 1 25 LEU CG C 0.062 0.258 3.956 1.00 . A A . 24 LEU CG 1 1 5 2524 1 1 25 LEU H H 1.370 1.950 0.498 1.00 . A A . 24 LEU H 1 1 5 2525 1 1 25 LEU HA H -0.937 0.528 1.302 1.00 . A A . 24 LEU HA 1 1 5 2526 1 1 25 LEU HB2 H 1.352 0.229 2.259 1.00 . A A . 24 LEU HB2 1 1 5 2527 1 1 25 LEU HB3 H 1.208 1.796 3.022 1.00 . A A . 24 LEU HB3 1 1 5 2528 1 1 25 LEU HD11 H -1.192 1.907 4.466 1.00 . A A . 24 LEU HD11 1 1 5 2529 1 1 25 LEU HD12 H 0.389 1.930 5.246 1.00 . A A . 24 LEU HD12 1 1 5 2530 1 1 25 LEU HD13 H -0.855 0.810 5.805 1.00 . A A . 24 LEU HD13 1 1 5 2531 1 1 25 LEU HD21 H -0.690 -1.439 2.893 1.00 . A A . 24 LEU HD21 1 1 5 2532 1 1 25 LEU HD22 H -1.864 -0.144 3.124 1.00 . A A . 24 LEU HD22 1 1 5 2533 1 1 25 LEU HD23 H -1.426 -1.187 4.475 1.00 . A A . 24 LEU HD23 1 1 5 2534 1 1 25 LEU HG H 0.837 -0.313 4.446 1.00 . A A . 24 LEU HG 1 1 5 2535 1 1 25 LEU N N 0.393 1.851 0.440 1.00 . A A . 24 LEU N 1 1 5 2536 1 1 25 LEU O O -2.405 2.206 2.529 1.00 . A A . 24 LEU O 1 1 5 2537 1 1 26 ALA C C -2.818 4.982 1.425 1.00 . A A . 25 ALA C 1 1 5 2538 1 1 26 ALA CA C -1.639 4.868 2.388 1.00 . A A . 25 ALA CA 1 1 5 2539 1 1 26 ALA CB C -0.803 6.133 2.358 1.00 . A A . 25 ALA CB 1 1 5 2540 1 1 26 ALA H H 0.122 3.862 1.785 1.00 . A A . 25 ALA H 1 1 5 2541 1 1 26 ALA HA H -2.013 4.732 3.391 1.00 . A A . 25 ALA HA 1 1 5 2542 1 1 26 ALA HB1 H 0.054 6.011 3.002 1.00 . A A . 25 ALA HB1 1 1 5 2543 1 1 26 ALA HB2 H -1.398 6.965 2.703 1.00 . A A . 25 ALA HB2 1 1 5 2544 1 1 26 ALA HB3 H -0.471 6.319 1.347 1.00 . A A . 25 ALA HB3 1 1 5 2545 1 1 26 ALA N N -0.812 3.716 2.051 1.00 . A A . 25 ALA N 1 1 5 2546 1 1 26 ALA O O -3.929 5.345 1.814 1.00 . A A . 25 ALA O 1 1 5 2547 1 1 27 LYS C C -4.608 3.534 -0.527 1.00 . A A . 26 LYS C 1 1 5 2548 1 1 27 LYS CA C -3.589 4.618 -0.864 1.00 . A A . 26 LYS CA 1 1 5 2549 1 1 27 LYS CB C -2.942 4.323 -2.219 1.00 . A A . 26 LYS CB 1 1 5 2550 1 1 27 LYS CD C -3.290 3.594 -4.591 1.00 . A A . 26 LYS CD 1 1 5 2551 1 1 27 LYS CE C -1.988 4.254 -5.014 1.00 . A A . 26 LYS CE 1 1 5 2552 1 1 27 LYS CG C -3.912 4.289 -3.389 1.00 . A A . 26 LYS CG 1 1 5 2553 1 1 27 LYS H H -1.629 4.463 -0.087 1.00 . A A . 26 LYS H 1 1 5 2554 1 1 27 LYS HA H -4.082 5.577 -0.900 1.00 . A A . 26 LYS HA 1 1 5 2555 1 1 27 LYS HB2 H -2.202 5.081 -2.419 1.00 . A A . 26 LYS HB2 1 1 5 2556 1 1 27 LYS HB3 H -2.451 3.363 -2.164 1.00 . A A . 26 LYS HB3 1 1 5 2557 1 1 27 LYS HD2 H -3.093 2.566 -4.337 1.00 . A A . 26 LYS HD2 1 1 5 2558 1 1 27 LYS HD3 H -3.987 3.634 -5.416 1.00 . A A . 26 LYS HD3 1 1 5 2559 1 1 27 LYS HE2 H -2.211 5.213 -5.459 1.00 . A A . 26 LYS HE2 1 1 5 2560 1 1 27 LYS HE3 H -1.372 4.400 -4.140 1.00 . A A . 26 LYS HE3 1 1 5 2561 1 1 27 LYS HG2 H -4.803 3.755 -3.094 1.00 . A A . 26 LYS HG2 1 1 5 2562 1 1 27 LYS HG3 H -4.169 5.302 -3.662 1.00 . A A . 26 LYS HG3 1 1 5 2563 1 1 27 LYS HZ1 H -0.451 3.967 -6.395 1.00 . A A . 26 LYS HZ1 1 1 5 2564 1 1 27 LYS HZ2 H -1.869 3.135 -6.773 1.00 . A A . 26 LYS HZ2 1 1 5 2565 1 1 27 LYS HZ3 H -0.861 2.571 -5.530 1.00 . A A . 26 LYS HZ3 1 1 5 2566 1 1 27 LYS N N -2.555 4.667 0.163 1.00 . A A . 26 LYS N 1 1 5 2567 1 1 27 LYS NZ N -1.242 3.426 -5.998 1.00 . A A . 26 LYS NZ 1 1 5 2568 1 1 27 LYS O O -5.816 3.715 -0.697 1.00 . A A . 26 LYS O 1 1 5 2569 1 1 28 TYR C C -5.862 1.726 1.518 1.00 . A A . 27 TYR C 1 1 5 2570 1 1 28 TYR CA C -4.935 1.293 0.386 1.00 . A A . 27 TYR CA 1 1 5 2571 1 1 28 TYR CB C -4.042 0.124 0.827 1.00 . A A . 27 TYR CB 1 1 5 2572 1 1 28 TYR CD1 C -5.259 -2.056 0.423 1.00 . A A . 27 TYR CD1 1 1 5 2573 1 1 28 TYR CD2 C -5.025 -1.292 2.668 1.00 . A A . 27 TYR CD2 1 1 5 2574 1 1 28 TYR CE1 C -5.953 -3.164 0.870 1.00 . A A . 27 TYR CE1 1 1 5 2575 1 1 28 TYR CE2 C -5.714 -2.398 3.121 1.00 . A A . 27 TYR CE2 1 1 5 2576 1 1 28 TYR CG C -4.783 -1.102 1.315 1.00 . A A . 27 TYR CG 1 1 5 2577 1 1 28 TYR CZ C -6.113 -3.377 2.200 1.00 . A A . 27 TYR CZ 1 1 5 2578 1 1 28 TYR H H -3.124 2.323 0.032 1.00 . A A . 27 TYR H 1 1 5 2579 1 1 28 TYR HA H -5.534 0.983 -0.456 1.00 . A A . 27 TYR HA 1 1 5 2580 1 1 28 TYR HB2 H -3.426 -0.180 -0.005 1.00 . A A . 27 TYR HB2 1 1 5 2581 1 1 28 TYR HB3 H -3.402 0.463 1.627 1.00 . A A . 27 TYR HB3 1 1 5 2582 1 1 28 TYR HD1 H -5.080 -1.924 -0.635 1.00 . A A . 27 TYR HD1 1 1 5 2583 1 1 28 TYR HD2 H -4.663 -0.560 3.373 1.00 . A A . 27 TYR HD2 1 1 5 2584 1 1 28 TYR HE1 H -6.316 -3.894 0.163 1.00 . A A . 27 TYR HE1 1 1 5 2585 1 1 28 TYR HE2 H -5.890 -2.524 4.180 1.00 . A A . 27 TYR HE2 1 1 5 2586 1 1 28 TYR HH H -6.457 -5.234 2.324 1.00 . A A . 27 TYR HH 1 1 5 2587 1 1 28 TYR N N -4.101 2.409 -0.038 1.00 . A A . 27 TYR N 1 1 5 2588 1 1 28 TYR O O -7.035 1.360 1.542 1.00 . A A . 27 TYR O 1 1 5 2589 1 1 28 TYR OH O -6.869 -4.431 2.670 1.00 . A A . 27 TYR OH 1 1 5 2590 1 1 29 GLN C C -7.261 3.919 3.062 1.00 . A A . 28 GLN C 1 1 5 2591 1 1 29 GLN CA C -6.113 3.047 3.556 1.00 . A A . 28 GLN CA 1 1 5 2592 1 1 29 GLN CB C -5.239 3.878 4.501 1.00 . A A . 28 GLN CB 1 1 5 2593 1 1 29 GLN CD C -3.381 3.963 6.200 1.00 . A A . 28 GLN CD 1 1 5 2594 1 1 29 GLN CG C -4.155 3.090 5.226 1.00 . A A . 28 GLN CG 1 1 5 2595 1 1 29 GLN H H -4.385 2.770 2.365 1.00 . A A . 28 GLN H 1 1 5 2596 1 1 29 GLN HA H -6.519 2.205 4.095 1.00 . A A . 28 GLN HA 1 1 5 2597 1 1 29 GLN HB2 H -4.760 4.661 3.928 1.00 . A A . 28 GLN HB2 1 1 5 2598 1 1 29 GLN HB3 H -5.878 4.335 5.244 1.00 . A A . 28 GLN HB3 1 1 5 2599 1 1 29 GLN HE21 H -1.753 2.848 5.985 1.00 . A A . 28 GLN HE21 1 1 5 2600 1 1 29 GLN HE22 H -1.610 4.186 7.065 1.00 . A A . 28 GLN HE22 1 1 5 2601 1 1 29 GLN HG2 H -4.616 2.281 5.775 1.00 . A A . 28 GLN HG2 1 1 5 2602 1 1 29 GLN HG3 H -3.467 2.686 4.495 1.00 . A A . 28 GLN HG3 1 1 5 2603 1 1 29 GLN N N -5.330 2.528 2.438 1.00 . A A . 28 GLN N 1 1 5 2604 1 1 29 GLN NE2 N -2.123 3.630 6.440 1.00 . A A . 28 GLN NE2 1 1 5 2605 1 1 29 GLN O O -8.367 3.859 3.591 1.00 . A A . 28 GLN O 1 1 5 2606 1 1 29 GLN OE1 O -3.918 4.930 6.741 1.00 . A A . 28 GLN OE1 1 1 5 2607 1 1 30 LYS C C -9.216 4.952 1.030 1.00 . A A . 29 LYS C 1 1 5 2608 1 1 30 LYS CA C -7.960 5.670 1.517 1.00 . A A . 29 LYS CA 1 1 5 2609 1 1 30 LYS CB C -7.338 6.496 0.384 1.00 . A A . 29 LYS CB 1 1 5 2610 1 1 30 LYS CD C -7.621 8.353 -1.301 1.00 . A A . 29 LYS CD 1 1 5 2611 1 1 30 LYS CE C -6.347 9.076 -0.890 1.00 . A A . 29 LYS CE 1 1 5 2612 1 1 30 LYS CG C -8.250 7.594 -0.141 1.00 . A A . 29 LYS CG 1 1 5 2613 1 1 30 LYS H H -6.105 4.661 1.613 1.00 . A A . 29 LYS H 1 1 5 2614 1 1 30 LYS HA H -8.230 6.332 2.324 1.00 . A A . 29 LYS HA 1 1 5 2615 1 1 30 LYS HB2 H -6.431 6.955 0.750 1.00 . A A . 29 LYS HB2 1 1 5 2616 1 1 30 LYS HB3 H -7.093 5.837 -0.436 1.00 . A A . 29 LYS HB3 1 1 5 2617 1 1 30 LYS HD2 H -7.384 7.654 -2.089 1.00 . A A . 29 LYS HD2 1 1 5 2618 1 1 30 LYS HD3 H -8.333 9.079 -1.666 1.00 . A A . 29 LYS HD3 1 1 5 2619 1 1 30 LYS HE2 H -6.570 9.726 -0.057 1.00 . A A . 29 LYS HE2 1 1 5 2620 1 1 30 LYS HE3 H -5.615 8.342 -0.587 1.00 . A A . 29 LYS HE3 1 1 5 2621 1 1 30 LYS HG2 H -9.173 7.149 -0.476 1.00 . A A . 29 LYS HG2 1 1 5 2622 1 1 30 LYS HG3 H -8.456 8.287 0.662 1.00 . A A . 29 LYS HG3 1 1 5 2623 1 1 30 LYS HZ1 H -4.909 10.353 -1.700 1.00 . A A . 29 LYS HZ1 1 1 5 2624 1 1 30 LYS HZ2 H -6.467 10.619 -2.289 1.00 . A A . 29 LYS HZ2 1 1 5 2625 1 1 30 LYS HZ3 H -5.581 9.283 -2.820 1.00 . A A . 29 LYS HZ3 1 1 5 2626 1 1 30 LYS N N -6.987 4.717 2.035 1.00 . A A . 29 LYS N 1 1 5 2627 1 1 30 LYS NZ N -5.787 9.889 -2.001 1.00 . A A . 29 LYS NZ 1 1 5 2628 1 1 30 LYS O O -10.336 5.312 1.403 1.00 . A A . 29 LYS O 1 1 5 2629 1 1 31 ASP C C -10.732 2.280 0.822 1.00 . A A . 30 ASP C 1 1 5 2630 1 1 31 ASP CA C -10.141 3.133 -0.295 1.00 . A A . 30 ASP CA 1 1 5 2631 1 1 31 ASP CB C -9.705 2.251 -1.466 1.00 . A A . 30 ASP CB 1 1 5 2632 1 1 31 ASP CG C -9.761 2.978 -2.794 1.00 . A A . 30 ASP CG 1 1 5 2633 1 1 31 ASP H H -8.117 3.736 -0.110 1.00 . A A . 30 ASP H 1 1 5 2634 1 1 31 ASP HA H -10.908 3.810 -0.643 1.00 . A A . 30 ASP HA 1 1 5 2635 1 1 31 ASP HB2 H -8.688 1.927 -1.303 1.00 . A A . 30 ASP HB2 1 1 5 2636 1 1 31 ASP HB3 H -10.354 1.389 -1.520 1.00 . A A . 30 ASP HB3 1 1 5 2637 1 1 31 ASP N N -9.029 3.944 0.190 1.00 . A A . 30 ASP N 1 1 5 2638 1 1 31 ASP O O -11.942 2.069 0.876 1.00 . A A . 30 ASP O 1 1 5 2639 1 1 31 ASP OD1 O -8.832 3.756 -3.093 1.00 . A A . 30 ASP OD1 1 1 5 2640 1 1 31 ASP OD2 O -10.737 2.772 -3.548 1.00 . A A . 30 ASP OD2 1 1 5 2641 1 1 32 LEU C C -11.232 1.736 3.773 1.00 . A A . 31 LEU C 1 1 5 2642 1 1 32 LEU CA C -10.307 0.962 2.838 1.00 . A A . 31 LEU CA 1 1 5 2643 1 1 32 LEU CB C -9.094 0.451 3.625 1.00 . A A . 31 LEU CB 1 1 5 2644 1 1 32 LEU CD1 C -10.028 -1.809 4.221 1.00 . A A . 31 LEU CD1 1 1 5 2645 1 1 32 LEU CD2 C -8.134 -0.837 5.534 1.00 . A A . 31 LEU CD2 1 1 5 2646 1 1 32 LEU CG C -9.402 -0.529 4.758 1.00 . A A . 31 LEU CG 1 1 5 2647 1 1 32 LEU H H -8.919 2.014 1.623 1.00 . A A . 31 LEU H 1 1 5 2648 1 1 32 LEU HA H -10.849 0.121 2.431 1.00 . A A . 31 LEU HA 1 1 5 2649 1 1 32 LEU HB2 H -8.417 -0.031 2.935 1.00 . A A . 31 LEU HB2 1 1 5 2650 1 1 32 LEU HB3 H -8.588 1.305 4.055 1.00 . A A . 31 LEU HB3 1 1 5 2651 1 1 32 LEU HD11 H -10.166 -2.509 5.032 1.00 . A A . 31 LEU HD11 1 1 5 2652 1 1 32 LEU HD12 H -9.377 -2.244 3.477 1.00 . A A . 31 LEU HD12 1 1 5 2653 1 1 32 LEU HD13 H -10.985 -1.583 3.775 1.00 . A A . 31 LEU HD13 1 1 5 2654 1 1 32 LEU HD21 H -8.353 -1.546 6.317 1.00 . A A . 31 LEU HD21 1 1 5 2655 1 1 32 LEU HD22 H -7.749 0.074 5.968 1.00 . A A . 31 LEU HD22 1 1 5 2656 1 1 32 LEU HD23 H -7.398 -1.255 4.864 1.00 . A A . 31 LEU HD23 1 1 5 2657 1 1 32 LEU HG H -10.107 -0.073 5.437 1.00 . A A . 31 LEU HG 1 1 5 2658 1 1 32 LEU N N -9.874 1.801 1.718 1.00 . A A . 31 LEU N 1 1 5 2659 1 1 32 LEU O O -12.151 1.170 4.366 1.00 . A A . 31 LEU O 1 1 5 2660 1 1 33 ALA C C -13.223 3.928 4.227 1.00 . A A . 32 ALA C 1 1 5 2661 1 1 33 ALA CA C -11.789 3.903 4.729 1.00 . A A . 32 ALA CA 1 1 5 2662 1 1 33 ALA CB C -11.216 5.306 4.735 1.00 . A A . 32 ALA CB 1 1 5 2663 1 1 33 ALA H H -10.192 3.409 3.441 1.00 . A A . 32 ALA H 1 1 5 2664 1 1 33 ALA HA H -11.771 3.525 5.737 1.00 . A A . 32 ALA HA 1 1 5 2665 1 1 33 ALA HB1 H -10.192 5.275 5.073 1.00 . A A . 32 ALA HB1 1 1 5 2666 1 1 33 ALA HB2 H -11.797 5.930 5.398 1.00 . A A . 32 ALA HB2 1 1 5 2667 1 1 33 ALA HB3 H -11.254 5.711 3.733 1.00 . A A . 32 ALA HB3 1 1 5 2668 1 1 33 ALA N N -10.972 3.032 3.902 1.00 . A A . 32 ALA N 1 1 5 2669 1 1 33 ALA O O -14.169 3.968 5.015 1.00 . A A . 32 ALA O 1 1 5 2670 1 1 34 ASP C C -15.283 2.496 2.279 1.00 . A A . 33 ASP C 1 1 5 2671 1 1 34 ASP CA C -14.688 3.899 2.298 1.00 . A A . 33 ASP CA 1 1 5 2672 1 1 34 ASP CB C -14.621 4.455 0.871 1.00 . A A . 33 ASP CB 1 1 5 2673 1 1 34 ASP CG C -15.977 4.443 0.192 1.00 . A A . 33 ASP CG 1 1 5 2674 1 1 34 ASP H H -12.574 3.845 2.344 1.00 . A A . 33 ASP H 1 1 5 2675 1 1 34 ASP HA H -15.321 4.536 2.894 1.00 . A A . 33 ASP HA 1 1 5 2676 1 1 34 ASP HB2 H -14.264 5.474 0.904 1.00 . A A . 33 ASP HB2 1 1 5 2677 1 1 34 ASP HB3 H -13.939 3.857 0.285 1.00 . A A . 33 ASP HB3 1 1 5 2678 1 1 34 ASP N N -13.371 3.889 2.913 1.00 . A A . 33 ASP N 1 1 5 2679 1 1 34 ASP O O -16.406 2.281 2.733 1.00 . A A . 33 ASP O 1 1 5 2680 1 1 34 ASP OD1 O -16.285 3.471 -0.527 1.00 . A A . 33 ASP OD1 1 1 5 2681 1 1 34 ASP OD2 O -16.747 5.408 0.379 1.00 . A A . 33 ASP OD2 1 1 5 2682 1 1 35 TYR C C -14.179 -0.744 2.547 1.00 . A A . 34 TYR C 1 1 5 2683 1 1 35 TYR CA C -14.988 0.176 1.642 1.00 . A A . 34 TYR CA 1 1 5 2684 1 1 35 TYR CB C -14.892 -0.281 0.186 1.00 . A A . 34 TYR CB 1 1 5 2685 1 1 35 TYR CD1 C -16.758 -1.932 -0.230 1.00 . A A . 34 TYR CD1 1 1 5 2686 1 1 35 TYR CD2 C -14.529 -2.756 -0.105 1.00 . A A . 34 TYR CD2 1 1 5 2687 1 1 35 TYR CE1 C -17.223 -3.214 -0.451 1.00 . A A . 34 TYR CE1 1 1 5 2688 1 1 35 TYR CE2 C -14.982 -4.037 -0.327 1.00 . A A . 34 TYR CE2 1 1 5 2689 1 1 35 TYR CG C -15.404 -1.683 -0.053 1.00 . A A . 34 TYR CG 1 1 5 2690 1 1 35 TYR CZ C -16.330 -4.264 -0.500 1.00 . A A . 34 TYR CZ 1 1 5 2691 1 1 35 TYR H H -13.609 1.764 1.469 1.00 . A A . 34 TYR H 1 1 5 2692 1 1 35 TYR HA H -16.021 0.149 1.952 1.00 . A A . 34 TYR HA 1 1 5 2693 1 1 35 TYR HB2 H -15.469 0.391 -0.432 1.00 . A A . 34 TYR HB2 1 1 5 2694 1 1 35 TYR HB3 H -13.858 -0.247 -0.124 1.00 . A A . 34 TYR HB3 1 1 5 2695 1 1 35 TYR HD1 H -17.454 -1.108 -0.193 1.00 . A A . 34 TYR HD1 1 1 5 2696 1 1 35 TYR HD2 H -13.476 -2.576 0.036 1.00 . A A . 34 TYR HD2 1 1 5 2697 1 1 35 TYR HE1 H -18.279 -3.387 -0.586 1.00 . A A . 34 TYR HE1 1 1 5 2698 1 1 35 TYR HE2 H -14.282 -4.854 -0.365 1.00 . A A . 34 TYR HE2 1 1 5 2699 1 1 35 TYR HH H -17.468 -5.534 -1.401 1.00 . A A . 34 TYR HH 1 1 5 2700 1 1 35 TYR N N -14.520 1.545 1.765 1.00 . A A . 34 TYR N 1 1 5 2701 1 1 35 TYR O O -13.053 -1.130 2.222 1.00 . A A . 34 TYR O 1 1 5 2702 1 1 35 TYR OH O -16.785 -5.547 -0.716 1.00 . A A . 34 TYR OH 1 1 5 2703 1 1 36 NH2 HN1 H -15.647 -0.741 3.878 1.00 . A A . 35 NH2 HN1 1 1 5 2704 1 1 36 NH2 HN2 H -14.258 -1.680 4.293 1.00 . A A . 35 NH2 HN2 1 1 5 2705 1 1 36 NH2 N N -14.752 -1.090 3.687 1.00 . A A . 35 NH2 N 1 1 6 2706 1 1 1 ACE C C -13.643 -3.890 -3.756 1.00 . A A . 0 ACE C 1 1 6 2707 1 1 1 ACE CH3 C -14.303 -2.607 -3.336 1.00 . A A . 0 ACE CH3 1 1 6 2708 1 1 1 ACE H1 H -13.669 -1.778 -3.633 1.00 . A A . 0 ACE H1 1 1 6 2709 1 1 1 ACE H2 H -14.426 -2.601 -2.270 1.00 . A A . 0 ACE H2 1 1 6 2710 1 1 1 ACE H3 H -15.275 -2.545 -3.812 1.00 . A A . 0 ACE H3 1 1 6 2711 1 1 1 ACE O O -13.417 -4.122 -4.945 1.00 . A A . 0 ACE O 1 1 6 2712 1 1 2 PRO C C -11.065 -3.867 -2.246 1.00 . A A . 1 PRO C 1 1 6 2713 1 1 2 PRO CA C -12.374 -4.440 -1.709 1.00 . A A . 1 PRO CA 1 1 6 2714 1 1 2 PRO CB C -12.127 -5.796 -1.025 1.00 . A A . 1 PRO CB 1 1 6 2715 1 1 2 PRO CD C -13.819 -6.129 -2.679 1.00 . A A . 1 PRO CD 1 1 6 2716 1 1 2 PRO CG C -12.721 -6.824 -1.925 1.00 . A A . 1 PRO CG 1 1 6 2717 1 1 2 PRO HA H -12.808 -3.748 -1.000 1.00 . A A . 1 PRO HA 1 1 6 2718 1 1 2 PRO HB2 H -11.063 -5.957 -0.905 1.00 . A A . 1 PRO HB2 1 1 6 2719 1 1 2 PRO HB3 H -12.617 -5.822 -0.066 1.00 . A A . 1 PRO HB3 1 1 6 2720 1 1 2 PRO HD2 H -13.956 -6.572 -3.658 1.00 . A A . 1 PRO HD2 1 1 6 2721 1 1 2 PRO HD3 H -14.742 -6.152 -2.119 1.00 . A A . 1 PRO HD3 1 1 6 2722 1 1 2 PRO HG2 H -11.964 -7.194 -2.606 1.00 . A A . 1 PRO HG2 1 1 6 2723 1 1 2 PRO HG3 H -13.128 -7.633 -1.337 1.00 . A A . 1 PRO HG3 1 1 6 2724 1 1 2 PRO N N -13.311 -4.761 -2.791 1.00 . A A . 1 PRO N 1 1 6 2725 1 1 2 PRO O O -10.631 -4.224 -3.343 1.00 . A A . 1 PRO O 1 1 6 2726 1 1 3 PRO C C -8.063 -3.324 -2.147 1.00 . A A . 2 PRO C 1 1 6 2727 1 1 3 PRO CA C -9.179 -2.317 -1.899 1.00 . A A . 2 PRO CA 1 1 6 2728 1 1 3 PRO CB C -8.822 -1.409 -0.715 1.00 . A A . 2 PRO CB 1 1 6 2729 1 1 3 PRO CD C -10.878 -2.483 -0.171 1.00 . A A . 2 PRO CD 1 1 6 2730 1 1 3 PRO CG C -9.622 -1.919 0.428 1.00 . A A . 2 PRO CG 1 1 6 2731 1 1 3 PRO HA H -9.322 -1.718 -2.785 1.00 . A A . 2 PRO HA 1 1 6 2732 1 1 3 PRO HB2 H -7.760 -1.478 -0.507 1.00 . A A . 2 PRO HB2 1 1 6 2733 1 1 3 PRO HB3 H -9.097 -0.390 -0.934 1.00 . A A . 2 PRO HB3 1 1 6 2734 1 1 3 PRO HD2 H -11.254 -3.297 0.428 1.00 . A A . 2 PRO HD2 1 1 6 2735 1 1 3 PRO HD3 H -11.628 -1.712 -0.278 1.00 . A A . 2 PRO HD3 1 1 6 2736 1 1 3 PRO HG2 H -9.067 -2.688 0.948 1.00 . A A . 2 PRO HG2 1 1 6 2737 1 1 3 PRO HG3 H -9.861 -1.112 1.097 1.00 . A A . 2 PRO HG3 1 1 6 2738 1 1 3 PRO N N -10.430 -2.959 -1.487 1.00 . A A . 2 PRO N 1 1 6 2739 1 1 3 PRO O O -7.994 -4.363 -1.490 1.00 . A A . 2 PRO O 1 1 6 2740 1 1 4 THR C C -4.897 -3.660 -2.546 1.00 . A A . 3 THR C 1 1 6 2741 1 1 4 THR CA C -6.106 -3.899 -3.444 1.00 . A A . 3 THR CA 1 1 6 2742 1 1 4 THR CB C -5.701 -3.704 -4.914 1.00 . A A . 3 THR CB 1 1 6 2743 1 1 4 THR CG2 C -4.798 -4.835 -5.378 1.00 . A A . 3 THR CG2 1 1 6 2744 1 1 4 THR H H -7.282 -2.155 -3.560 1.00 . A A . 3 THR H 1 1 6 2745 1 1 4 THR HA H -6.445 -4.914 -3.315 1.00 . A A . 3 THR HA 1 1 6 2746 1 1 4 THR HB H -5.168 -2.772 -5.006 1.00 . A A . 3 THR HB 1 1 6 2747 1 1 4 THR HG1 H -7.520 -4.306 -5.406 1.00 . A A . 3 THR HG1 1 1 6 2748 1 1 4 THR HG21 H -3.915 -4.868 -4.755 1.00 . A A . 3 THR HG21 1 1 6 2749 1 1 4 THR HG22 H -4.508 -4.668 -6.404 1.00 . A A . 3 THR HG22 1 1 6 2750 1 1 4 THR HG23 H -5.327 -5.773 -5.300 1.00 . A A . 3 THR HG23 1 1 6 2751 1 1 4 THR N N -7.193 -3.010 -3.090 1.00 . A A . 3 THR N 1 1 6 2752 1 1 4 THR O O -4.378 -2.544 -2.469 1.00 . A A . 3 THR O 1 1 6 2753 1 1 4 THR OG1 O -6.876 -3.661 -5.737 1.00 . A A . 3 THR OG1 1 1 6 2754 1 1 5 LYS C C -2.053 -4.354 -1.804 1.00 . A A . 4 LYS C 1 1 6 2755 1 1 5 LYS CA C -3.307 -4.621 -0.983 1.00 . A A . 4 LYS CA 1 1 6 2756 1 1 5 LYS CB C -3.137 -5.911 -0.179 1.00 . A A . 4 LYS CB 1 1 6 2757 1 1 5 LYS CD C -4.032 -7.450 1.599 1.00 . A A . 4 LYS CD 1 1 6 2758 1 1 5 LYS CE C -3.958 -8.664 0.689 1.00 . A A . 4 LYS CE 1 1 6 2759 1 1 5 LYS CG C -4.259 -6.168 0.814 1.00 . A A . 4 LYS CG 1 1 6 2760 1 1 5 LYS H H -4.930 -5.569 -1.954 1.00 . A A . 4 LYS H 1 1 6 2761 1 1 5 LYS HA H -3.466 -3.798 -0.305 1.00 . A A . 4 LYS HA 1 1 6 2762 1 1 5 LYS HB2 H -3.098 -6.743 -0.867 1.00 . A A . 4 LYS HB2 1 1 6 2763 1 1 5 LYS HB3 H -2.206 -5.861 0.368 1.00 . A A . 4 LYS HB3 1 1 6 2764 1 1 5 LYS HD2 H -3.104 -7.366 2.141 1.00 . A A . 4 LYS HD2 1 1 6 2765 1 1 5 LYS HD3 H -4.848 -7.581 2.295 1.00 . A A . 4 LYS HD3 1 1 6 2766 1 1 5 LYS HE2 H -4.888 -8.751 0.146 1.00 . A A . 4 LYS HE2 1 1 6 2767 1 1 5 LYS HE3 H -3.147 -8.525 -0.010 1.00 . A A . 4 LYS HE3 1 1 6 2768 1 1 5 LYS HG2 H -4.311 -5.343 1.506 1.00 . A A . 4 LYS HG2 1 1 6 2769 1 1 5 LYS HG3 H -5.191 -6.245 0.276 1.00 . A A . 4 LYS HG3 1 1 6 2770 1 1 5 LYS HZ1 H -2.844 -9.848 1.998 1.00 . A A . 4 LYS HZ1 1 1 6 2771 1 1 5 LYS HZ2 H -3.652 -10.723 0.803 1.00 . A A . 4 LYS HZ2 1 1 6 2772 1 1 5 LYS HZ3 H -4.515 -10.088 2.107 1.00 . A A . 4 LYS HZ3 1 1 6 2773 1 1 5 LYS N N -4.464 -4.710 -1.859 1.00 . A A . 4 LYS N 1 1 6 2774 1 1 5 LYS NZ N -3.727 -9.916 1.452 1.00 . A A . 4 LYS NZ 1 1 6 2775 1 1 5 LYS O O -1.924 -4.860 -2.922 1.00 . A A . 4 LYS O 1 1 6 2776 1 1 6 PRO C C 0.916 -4.431 -2.388 1.00 . A A . 5 PRO C 1 1 6 2777 1 1 6 PRO CA C 0.113 -3.202 -1.980 1.00 . A A . 5 PRO CA 1 1 6 2778 1 1 6 PRO CB C 0.898 -2.359 -0.970 1.00 . A A . 5 PRO CB 1 1 6 2779 1 1 6 PRO CD C -1.198 -2.890 0.042 1.00 . A A . 5 PRO CD 1 1 6 2780 1 1 6 PRO CG C 0.244 -2.597 0.346 1.00 . A A . 5 PRO CG 1 1 6 2781 1 1 6 PRO HA H -0.094 -2.610 -2.859 1.00 . A A . 5 PRO HA 1 1 6 2782 1 1 6 PRO HB2 H 1.932 -2.681 -0.954 1.00 . A A . 5 PRO HB2 1 1 6 2783 1 1 6 PRO HB3 H 0.835 -1.314 -1.232 1.00 . A A . 5 PRO HB3 1 1 6 2784 1 1 6 PRO HD2 H -1.619 -3.557 0.785 1.00 . A A . 5 PRO HD2 1 1 6 2785 1 1 6 PRO HD3 H -1.771 -1.972 -0.018 1.00 . A A . 5 PRO HD3 1 1 6 2786 1 1 6 PRO HG2 H 0.711 -3.445 0.838 1.00 . A A . 5 PRO HG2 1 1 6 2787 1 1 6 PRO HG3 H 0.323 -1.712 0.959 1.00 . A A . 5 PRO HG3 1 1 6 2788 1 1 6 PRO N N -1.123 -3.546 -1.275 1.00 . A A . 5 PRO N 1 1 6 2789 1 1 6 PRO O O 1.314 -5.241 -1.548 1.00 . A A . 5 PRO O 1 1 6 2790 1 1 7 THR C C 3.403 -5.338 -4.122 1.00 . A A . 6 THR C 1 1 6 2791 1 1 7 THR CA C 1.914 -5.659 -4.235 1.00 . A A . 6 THR CA 1 1 6 2792 1 1 7 THR CB C 1.539 -5.901 -5.708 1.00 . A A . 6 THR CB 1 1 6 2793 1 1 7 THR CG2 C 2.151 -7.189 -6.230 1.00 . A A . 6 THR CG2 1 1 6 2794 1 1 7 THR H H 0.729 -3.916 -4.301 1.00 . A A . 6 THR H 1 1 6 2795 1 1 7 THR HA H 1.698 -6.553 -3.675 1.00 . A A . 6 THR HA 1 1 6 2796 1 1 7 THR HB H 1.908 -5.076 -6.297 1.00 . A A . 6 THR HB 1 1 6 2797 1 1 7 THR HG1 H -0.222 -5.124 -6.153 1.00 . A A . 6 THR HG1 1 1 6 2798 1 1 7 THR HG21 H 1.770 -8.024 -5.662 1.00 . A A . 6 THR HG21 1 1 6 2799 1 1 7 THR HG22 H 3.225 -7.144 -6.128 1.00 . A A . 6 THR HG22 1 1 6 2800 1 1 7 THR HG23 H 1.893 -7.314 -7.271 1.00 . A A . 6 THR HG23 1 1 6 2801 1 1 7 THR N N 1.123 -4.570 -3.687 1.00 . A A . 6 THR N 1 1 6 2802 1 1 7 THR O O 4.263 -6.212 -4.263 1.00 . A A . 6 THR O 1 1 6 2803 1 1 7 THR OG1 O 0.112 -5.972 -5.834 1.00 . A A . 6 THR OG1 1 1 6 2804 1 1 8 LYS C C 5.701 -4.249 -2.475 1.00 . A A . 7 LYS C 1 1 6 2805 1 1 8 LYS CA C 5.061 -3.610 -3.701 1.00 . A A . 7 LYS CA 1 1 6 2806 1 1 8 LYS CB C 5.093 -2.086 -3.569 1.00 . A A . 7 LYS CB 1 1 6 2807 1 1 8 LYS CD C 4.479 0.149 -4.541 1.00 . A A . 7 LYS CD 1 1 6 2808 1 1 8 LYS CE C 3.791 0.877 -5.687 1.00 . A A . 7 LYS CE 1 1 6 2809 1 1 8 LYS CG C 4.470 -1.359 -4.747 1.00 . A A . 7 LYS CG 1 1 6 2810 1 1 8 LYS H H 2.959 -3.426 -3.778 1.00 . A A . 7 LYS H 1 1 6 2811 1 1 8 LYS HA H 5.616 -3.901 -4.578 1.00 . A A . 7 LYS HA 1 1 6 2812 1 1 8 LYS HB2 H 4.558 -1.804 -2.675 1.00 . A A . 7 LYS HB2 1 1 6 2813 1 1 8 LYS HB3 H 6.120 -1.769 -3.479 1.00 . A A . 7 LYS HB3 1 1 6 2814 1 1 8 LYS HD2 H 3.962 0.380 -3.620 1.00 . A A . 7 LYS HD2 1 1 6 2815 1 1 8 LYS HD3 H 5.503 0.489 -4.474 1.00 . A A . 7 LYS HD3 1 1 6 2816 1 1 8 LYS HE2 H 2.750 0.590 -5.706 1.00 . A A . 7 LYS HE2 1 1 6 2817 1 1 8 LYS HE3 H 3.864 1.941 -5.516 1.00 . A A . 7 LYS HE3 1 1 6 2818 1 1 8 LYS HG2 H 5.031 -1.594 -5.643 1.00 . A A . 7 LYS HG2 1 1 6 2819 1 1 8 LYS HG3 H 3.449 -1.694 -4.864 1.00 . A A . 7 LYS HG3 1 1 6 2820 1 1 8 LYS HZ1 H 4.219 -0.438 -7.253 1.00 . A A . 7 LYS HZ1 1 1 6 2821 1 1 8 LYS HZ2 H 5.431 0.705 -6.971 1.00 . A A . 7 LYS HZ2 1 1 6 2822 1 1 8 LYS HZ3 H 3.999 1.166 -7.746 1.00 . A A . 7 LYS HZ3 1 1 6 2823 1 1 8 LYS N N 3.691 -4.071 -3.864 1.00 . A A . 7 LYS N 1 1 6 2824 1 1 8 LYS NZ N 4.403 0.555 -7.005 1.00 . A A . 7 LYS NZ 1 1 6 2825 1 1 8 LYS O O 5.032 -4.479 -1.467 1.00 . A A . 7 LYS O 1 1 6 2826 1 1 9 PRO C C 7.837 -4.179 -0.256 1.00 . A A . 8 PRO C 1 1 6 2827 1 1 9 PRO CA C 7.743 -5.138 -1.434 1.00 . A A . 8 PRO CA 1 1 6 2828 1 1 9 PRO CB C 9.135 -5.403 -2.007 1.00 . A A . 8 PRO CB 1 1 6 2829 1 1 9 PRO CD C 7.843 -4.389 -3.750 1.00 . A A . 8 PRO CD 1 1 6 2830 1 1 9 PRO CG C 9.241 -4.542 -3.214 1.00 . A A . 8 PRO CG 1 1 6 2831 1 1 9 PRO HA H 7.305 -6.068 -1.103 1.00 . A A . 8 PRO HA 1 1 6 2832 1 1 9 PRO HB2 H 9.889 -5.134 -1.273 1.00 . A A . 8 PRO HB2 1 1 6 2833 1 1 9 PRO HB3 H 9.232 -6.440 -2.279 1.00 . A A . 8 PRO HB3 1 1 6 2834 1 1 9 PRO HD2 H 7.705 -3.404 -4.176 1.00 . A A . 8 PRO HD2 1 1 6 2835 1 1 9 PRO HD3 H 7.629 -5.155 -4.484 1.00 . A A . 8 PRO HD3 1 1 6 2836 1 1 9 PRO HG2 H 9.645 -3.580 -2.936 1.00 . A A . 8 PRO HG2 1 1 6 2837 1 1 9 PRO HG3 H 9.870 -5.016 -3.950 1.00 . A A . 8 PRO HG3 1 1 6 2838 1 1 9 PRO N N 7.000 -4.563 -2.555 1.00 . A A . 8 PRO N 1 1 6 2839 1 1 9 PRO O O 8.117 -2.991 -0.425 1.00 . A A . 8 PRO O 1 1 6 2840 1 1 10 GLY C C 8.634 -4.473 3.142 1.00 . A A . 9 GLY C 1 1 6 2841 1 1 10 GLY CA C 7.677 -3.895 2.127 1.00 . A A . 9 GLY CA 1 1 6 2842 1 1 10 GLY H H 7.387 -5.656 0.998 1.00 . A A . 9 GLY H 1 1 6 2843 1 1 10 GLY HA2 H 8.003 -2.903 1.859 1.00 . A A . 9 GLY HA2 1 1 6 2844 1 1 10 GLY HA3 H 6.695 -3.837 2.568 1.00 . A A . 9 GLY HA3 1 1 6 2845 1 1 10 GLY N N 7.607 -4.704 0.932 1.00 . A A . 9 GLY N 1 1 6 2846 1 1 10 GLY O O 8.663 -4.048 4.295 1.00 . A A . 9 GLY O 1 1 6 2847 1 1 11 ASP C C 11.769 -6.070 3.013 1.00 . A A . 10 ASP C 1 1 6 2848 1 1 11 ASP CA C 10.365 -6.112 3.593 1.00 . A A . 10 ASP CA 1 1 6 2849 1 1 11 ASP CB C 9.947 -7.564 3.842 1.00 . A A . 10 ASP CB 1 1 6 2850 1 1 11 ASP CG C 8.606 -7.676 4.537 1.00 . A A . 10 ASP CG 1 1 6 2851 1 1 11 ASP H H 9.356 -5.727 1.773 1.00 . A A . 10 ASP H 1 1 6 2852 1 1 11 ASP HA H 10.364 -5.583 4.530 1.00 . A A . 10 ASP HA 1 1 6 2853 1 1 11 ASP HB2 H 9.883 -8.080 2.896 1.00 . A A . 10 ASP HB2 1 1 6 2854 1 1 11 ASP HB3 H 10.693 -8.044 4.458 1.00 . A A . 10 ASP HB3 1 1 6 2855 1 1 11 ASP N N 9.419 -5.447 2.708 1.00 . A A . 10 ASP N 1 1 6 2856 1 1 11 ASP O O 12.694 -5.562 3.640 1.00 . A A . 10 ASP O 1 1 6 2857 1 1 11 ASP OD1 O 8.578 -7.659 5.788 1.00 . A A . 10 ASP OD1 1 1 6 2858 1 1 11 ASP OD2 O 7.576 -7.787 3.838 1.00 . A A . 10 ASP OD2 1 1 6 2859 1 1 12 ASN C C 13.382 -5.401 0.238 1.00 . A A . 11 ASN C 1 1 6 2860 1 1 12 ASN CA C 13.212 -6.627 1.128 1.00 . A A . 11 ASN CA 1 1 6 2861 1 1 12 ASN CB C 13.345 -7.903 0.287 1.00 . A A . 11 ASN CB 1 1 6 2862 1 1 12 ASN CG C 12.315 -7.988 -0.831 1.00 . A A . 11 ASN CG 1 1 6 2863 1 1 12 ASN H H 11.134 -6.968 1.349 1.00 . A A . 11 ASN H 1 1 6 2864 1 1 12 ASN HA H 13.981 -6.619 1.884 1.00 . A A . 11 ASN HA 1 1 6 2865 1 1 12 ASN HB2 H 14.330 -7.931 -0.155 1.00 . A A . 11 ASN HB2 1 1 6 2866 1 1 12 ASN HB3 H 13.222 -8.763 0.930 1.00 . A A . 11 ASN HB3 1 1 6 2867 1 1 12 ASN HD21 H 13.605 -8.960 -1.989 1.00 . A A . 11 ASN HD21 1 1 6 2868 1 1 12 ASN HD22 H 12.043 -8.679 -2.672 1.00 . A A . 11 ASN HD22 1 1 6 2869 1 1 12 ASN N N 11.917 -6.592 1.805 1.00 . A A . 11 ASN N 1 1 6 2870 1 1 12 ASN ND2 N 12.693 -8.600 -1.943 1.00 . A A . 11 ASN ND2 1 1 6 2871 1 1 12 ASN O O 14.053 -5.449 -0.794 1.00 . A A . 11 ASN O 1 1 6 2872 1 1 12 ASN OD1 O 11.193 -7.500 -0.698 1.00 . A A . 11 ASN OD1 1 1 6 2873 1 1 13 ALA C C 13.722 -2.042 0.529 1.00 . A A . 12 ALA C 1 1 6 2874 1 1 13 ALA CA C 12.817 -3.075 -0.122 1.00 . A A . 12 ALA CA 1 1 6 2875 1 1 13 ALA CB C 11.413 -2.524 -0.284 1.00 . A A . 12 ALA CB 1 1 6 2876 1 1 13 ALA H H 12.307 -4.308 1.504 1.00 . A A . 12 ALA H 1 1 6 2877 1 1 13 ALA HA H 13.201 -3.309 -1.102 1.00 . A A . 12 ALA HA 1 1 6 2878 1 1 13 ALA HB1 H 11.057 -2.161 0.670 1.00 . A A . 12 ALA HB1 1 1 6 2879 1 1 13 ALA HB2 H 10.759 -3.309 -0.634 1.00 . A A . 12 ALA HB2 1 1 6 2880 1 1 13 ALA HB3 H 11.424 -1.715 -0.998 1.00 . A A . 12 ALA HB3 1 1 6 2881 1 1 13 ALA N N 12.779 -4.300 0.650 1.00 . A A . 12 ALA N 1 1 6 2882 1 1 13 ALA O O 13.891 -2.030 1.750 1.00 . A A . 12 ALA O 1 1 6 2883 1 1 14 THR C C 14.317 0.945 0.894 1.00 . A A . 13 THR C 1 1 6 2884 1 1 14 THR CA C 15.150 -0.107 0.173 1.00 . A A . 13 THR CA 1 1 6 2885 1 1 14 THR CB C 15.896 0.538 -1.005 1.00 . A A . 13 THR CB 1 1 6 2886 1 1 14 THR CG2 C 16.953 -0.406 -1.541 1.00 . A A . 13 THR CG2 1 1 6 2887 1 1 14 THR H H 14.176 -1.300 -1.261 1.00 . A A . 13 THR H 1 1 6 2888 1 1 14 THR HA H 15.879 -0.509 0.859 1.00 . A A . 13 THR HA 1 1 6 2889 1 1 14 THR HB H 16.379 1.435 -0.658 1.00 . A A . 13 THR HB 1 1 6 2890 1 1 14 THR HG1 H 15.440 1.369 -2.736 1.00 . A A . 13 THR HG1 1 1 6 2891 1 1 14 THR HG21 H 16.481 -1.313 -1.888 1.00 . A A . 13 THR HG21 1 1 6 2892 1 1 14 THR HG22 H 17.653 -0.643 -0.753 1.00 . A A . 13 THR HG22 1 1 6 2893 1 1 14 THR HG23 H 17.477 0.065 -2.359 1.00 . A A . 13 THR HG23 1 1 6 2894 1 1 14 THR N N 14.310 -1.193 -0.297 1.00 . A A . 13 THR N 1 1 6 2895 1 1 14 THR O O 13.113 1.048 0.664 1.00 . A A . 13 THR O 1 1 6 2896 1 1 14 THR OG1 O 14.975 0.875 -2.050 1.00 . A A . 13 THR OG1 1 1 6 2897 1 1 15 PRO C C 13.472 3.740 1.649 1.00 . A A . 14 PRO C 1 1 6 2898 1 1 15 PRO CA C 14.243 2.776 2.546 1.00 . A A . 14 PRO CA 1 1 6 2899 1 1 15 PRO CB C 15.372 3.508 3.287 1.00 . A A . 14 PRO CB 1 1 6 2900 1 1 15 PRO CD C 16.373 1.697 2.109 1.00 . A A . 14 PRO CD 1 1 6 2901 1 1 15 PRO CG C 16.633 3.082 2.629 1.00 . A A . 14 PRO CG 1 1 6 2902 1 1 15 PRO HA H 13.564 2.341 3.261 1.00 . A A . 14 PRO HA 1 1 6 2903 1 1 15 PRO HB2 H 15.238 4.578 3.198 1.00 . A A . 14 PRO HB2 1 1 6 2904 1 1 15 PRO HB3 H 15.386 3.219 4.324 1.00 . A A . 14 PRO HB3 1 1 6 2905 1 1 15 PRO HD2 H 16.969 1.501 1.234 1.00 . A A . 14 PRO HD2 1 1 6 2906 1 1 15 PRO HD3 H 16.565 0.959 2.872 1.00 . A A . 14 PRO HD3 1 1 6 2907 1 1 15 PRO HG2 H 16.868 3.764 1.817 1.00 . A A . 14 PRO HG2 1 1 6 2908 1 1 15 PRO HG3 H 17.436 3.059 3.353 1.00 . A A . 14 PRO HG3 1 1 6 2909 1 1 15 PRO N N 14.941 1.743 1.778 1.00 . A A . 14 PRO N 1 1 6 2910 1 1 15 PRO O O 12.355 4.149 1.972 1.00 . A A . 14 PRO O 1 1 6 2911 1 1 16 GLU C C 12.222 4.326 -1.071 1.00 . A A . 15 GLU C 1 1 6 2912 1 1 16 GLU CA C 13.434 4.994 -0.426 1.00 . A A . 15 GLU CA 1 1 6 2913 1 1 16 GLU CB C 14.434 5.438 -1.492 1.00 . A A . 15 GLU CB 1 1 6 2914 1 1 16 GLU CD C 14.909 6.960 -3.446 1.00 . A A . 15 GLU CD 1 1 6 2915 1 1 16 GLU CG C 13.875 6.471 -2.457 1.00 . A A . 15 GLU CG 1 1 6 2916 1 1 16 GLU H H 14.958 3.731 0.312 1.00 . A A . 15 GLU H 1 1 6 2917 1 1 16 GLU HA H 13.099 5.860 0.122 1.00 . A A . 15 GLU HA 1 1 6 2918 1 1 16 GLU HB2 H 15.300 5.863 -1.001 1.00 . A A . 15 GLU HB2 1 1 6 2919 1 1 16 GLU HB3 H 14.742 4.572 -2.060 1.00 . A A . 15 GLU HB3 1 1 6 2920 1 1 16 GLU HG2 H 13.053 6.031 -3.006 1.00 . A A . 15 GLU HG2 1 1 6 2921 1 1 16 GLU HG3 H 13.514 7.315 -1.889 1.00 . A A . 15 GLU HG3 1 1 6 2922 1 1 16 GLU N N 14.070 4.094 0.520 1.00 . A A . 15 GLU N 1 1 6 2923 1 1 16 GLU O O 11.192 4.962 -1.305 1.00 . A A . 15 GLU O 1 1 6 2924 1 1 16 GLU OE1 O 15.126 6.282 -4.469 1.00 . A A . 15 GLU OE1 1 1 6 2925 1 1 16 GLU OE2 O 15.505 8.033 -3.208 1.00 . A A . 15 GLU OE2 1 1 6 2926 1 1 17 LYS C C 10.173 1.971 -0.971 1.00 . A A . 16 LYS C 1 1 6 2927 1 1 17 LYS CA C 11.280 2.278 -1.975 1.00 . A A . 16 LYS CA 1 1 6 2928 1 1 17 LYS CB C 11.834 0.985 -2.572 1.00 . A A . 16 LYS CB 1 1 6 2929 1 1 17 LYS CD C 11.450 -1.031 -4.009 1.00 . A A . 16 LYS CD 1 1 6 2930 1 1 17 LYS CE C 10.466 -1.763 -4.904 1.00 . A A . 16 LYS CE 1 1 6 2931 1 1 17 LYS CG C 10.819 0.196 -3.379 1.00 . A A . 16 LYS CG 1 1 6 2932 1 1 17 LYS H H 13.177 2.575 -1.103 1.00 . A A . 16 LYS H 1 1 6 2933 1 1 17 LYS HA H 10.869 2.886 -2.766 1.00 . A A . 16 LYS HA 1 1 6 2934 1 1 17 LYS HB2 H 12.665 1.227 -3.220 1.00 . A A . 16 LYS HB2 1 1 6 2935 1 1 17 LYS HB3 H 12.188 0.358 -1.768 1.00 . A A . 16 LYS HB3 1 1 6 2936 1 1 17 LYS HD2 H 12.299 -0.724 -4.601 1.00 . A A . 16 LYS HD2 1 1 6 2937 1 1 17 LYS HD3 H 11.777 -1.698 -3.226 1.00 . A A . 16 LYS HD3 1 1 6 2938 1 1 17 LYS HE2 H 9.628 -2.088 -4.306 1.00 . A A . 16 LYS HE2 1 1 6 2939 1 1 17 LYS HE3 H 10.119 -1.081 -5.666 1.00 . A A . 16 LYS HE3 1 1 6 2940 1 1 17 LYS HG2 H 10.017 -0.116 -2.728 1.00 . A A . 16 LYS HG2 1 1 6 2941 1 1 17 LYS HG3 H 10.424 0.830 -4.161 1.00 . A A . 16 LYS HG3 1 1 6 2942 1 1 17 LYS HZ1 H 10.384 -3.429 -6.157 1.00 . A A . 16 LYS HZ1 1 1 6 2943 1 1 17 LYS HZ2 H 11.433 -3.614 -4.842 1.00 . A A . 16 LYS HZ2 1 1 6 2944 1 1 17 LYS HZ3 H 11.884 -2.648 -6.153 1.00 . A A . 16 LYS HZ3 1 1 6 2945 1 1 17 LYS N N 12.346 3.035 -1.341 1.00 . A A . 16 LYS N 1 1 6 2946 1 1 17 LYS NZ N 11.084 -2.946 -5.557 1.00 . A A . 16 LYS NZ 1 1 6 2947 1 1 17 LYS O O 8.995 1.930 -1.324 1.00 . A A . 16 LYS O 1 1 6 2948 1 1 18 LEU C C 8.677 2.748 1.512 1.00 . A A . 17 LEU C 1 1 6 2949 1 1 18 LEU CA C 9.603 1.551 1.357 1.00 . A A . 17 LEU CA 1 1 6 2950 1 1 18 LEU CB C 10.325 1.273 2.675 1.00 . A A . 17 LEU CB 1 1 6 2951 1 1 18 LEU CD1 C 11.685 -0.256 4.115 1.00 . A A . 17 LEU CD1 1 1 6 2952 1 1 18 LEU CD2 C 9.941 -1.197 2.602 1.00 . A A . 17 LEU CD2 1 1 6 2953 1 1 18 LEU CG C 10.979 -0.103 2.780 1.00 . A A . 17 LEU CG 1 1 6 2954 1 1 18 LEU H H 11.522 1.748 0.492 1.00 . A A . 17 LEU H 1 1 6 2955 1 1 18 LEU HA H 9.014 0.690 1.093 1.00 . A A . 17 LEU HA 1 1 6 2956 1 1 18 LEU HB2 H 11.090 2.020 2.802 1.00 . A A . 17 LEU HB2 1 1 6 2957 1 1 18 LEU HB3 H 9.613 1.373 3.480 1.00 . A A . 17 LEU HB3 1 1 6 2958 1 1 18 LEU HD11 H 12.444 0.505 4.210 1.00 . A A . 17 LEU HD11 1 1 6 2959 1 1 18 LEU HD12 H 12.146 -1.231 4.169 1.00 . A A . 17 LEU HD12 1 1 6 2960 1 1 18 LEU HD13 H 10.969 -0.151 4.917 1.00 . A A . 17 LEU HD13 1 1 6 2961 1 1 18 LEU HD21 H 10.398 -2.159 2.778 1.00 . A A . 17 LEU HD21 1 1 6 2962 1 1 18 LEU HD22 H 9.555 -1.164 1.595 1.00 . A A . 17 LEU HD22 1 1 6 2963 1 1 18 LEU HD23 H 9.134 -1.046 3.303 1.00 . A A . 17 LEU HD23 1 1 6 2964 1 1 18 LEU HG H 11.716 -0.207 1.996 1.00 . A A . 17 LEU HG 1 1 6 2965 1 1 18 LEU N N 10.560 1.772 0.284 1.00 . A A . 17 LEU N 1 1 6 2966 1 1 18 LEU O O 7.517 2.598 1.881 1.00 . A A . 17 LEU O 1 1 6 2967 1 1 19 ALA C C 7.281 5.072 0.198 1.00 . A A . 18 ALA C 1 1 6 2968 1 1 19 ALA CA C 8.383 5.140 1.249 1.00 . A A . 18 ALA CA 1 1 6 2969 1 1 19 ALA CB C 9.253 6.362 1.029 1.00 . A A . 18 ALA CB 1 1 6 2970 1 1 19 ALA H H 10.136 3.998 0.973 1.00 . A A . 18 ALA H 1 1 6 2971 1 1 19 ALA HA H 7.936 5.211 2.227 1.00 . A A . 18 ALA HA 1 1 6 2972 1 1 19 ALA HB1 H 10.037 6.382 1.771 1.00 . A A . 18 ALA HB1 1 1 6 2973 1 1 19 ALA HB2 H 8.650 7.252 1.117 1.00 . A A . 18 ALA HB2 1 1 6 2974 1 1 19 ALA HB3 H 9.693 6.317 0.044 1.00 . A A . 18 ALA HB3 1 1 6 2975 1 1 19 ALA N N 9.191 3.933 1.213 1.00 . A A . 18 ALA N 1 1 6 2976 1 1 19 ALA O O 6.152 5.500 0.433 1.00 . A A . 18 ALA O 1 1 6 2977 1 1 20 LYS C C 5.649 3.251 -1.638 1.00 . A A . 19 LYS C 1 1 6 2978 1 1 20 LYS CA C 6.652 4.330 -2.032 1.00 . A A . 19 LYS CA 1 1 6 2979 1 1 20 LYS CB C 7.365 3.950 -3.333 1.00 . A A . 19 LYS CB 1 1 6 2980 1 1 20 LYS CD C 7.199 3.473 -5.806 1.00 . A A . 19 LYS CD 1 1 6 2981 1 1 20 LYS CE C 8.259 4.499 -6.189 1.00 . A A . 19 LYS CE 1 1 6 2982 1 1 20 LYS CG C 6.444 3.873 -4.544 1.00 . A A . 19 LYS CG 1 1 6 2983 1 1 20 LYS H H 8.547 4.233 -1.100 1.00 . A A . 19 LYS H 1 1 6 2984 1 1 20 LYS HA H 6.125 5.260 -2.173 1.00 . A A . 19 LYS HA 1 1 6 2985 1 1 20 LYS HB2 H 8.129 4.685 -3.534 1.00 . A A . 19 LYS HB2 1 1 6 2986 1 1 20 LYS HB3 H 7.834 2.985 -3.203 1.00 . A A . 19 LYS HB3 1 1 6 2987 1 1 20 LYS HD2 H 7.682 2.523 -5.634 1.00 . A A . 19 LYS HD2 1 1 6 2988 1 1 20 LYS HD3 H 6.494 3.377 -6.618 1.00 . A A . 19 LYS HD3 1 1 6 2989 1 1 20 LYS HE2 H 8.950 4.609 -5.368 1.00 . A A . 19 LYS HE2 1 1 6 2990 1 1 20 LYS HE3 H 8.791 4.137 -7.057 1.00 . A A . 19 LYS HE3 1 1 6 2991 1 1 20 LYS HG2 H 5.675 3.141 -4.353 1.00 . A A . 19 LYS HG2 1 1 6 2992 1 1 20 LYS HG3 H 5.990 4.841 -4.700 1.00 . A A . 19 LYS HG3 1 1 6 2993 1 1 20 LYS HZ1 H 7.170 6.205 -5.674 1.00 . A A . 19 LYS HZ1 1 1 6 2994 1 1 20 LYS HZ2 H 6.996 5.746 -7.292 1.00 . A A . 19 LYS HZ2 1 1 6 2995 1 1 20 LYS HZ3 H 8.420 6.496 -6.776 1.00 . A A . 19 LYS HZ3 1 1 6 2996 1 1 20 LYS N N 7.620 4.520 -0.961 1.00 . A A . 19 LYS N 1 1 6 2997 1 1 20 LYS NZ N 7.670 5.828 -6.503 1.00 . A A . 19 LYS NZ 1 1 6 2998 1 1 20 LYS O O 4.460 3.342 -1.948 1.00 . A A . 19 LYS O 1 1 6 2999 1 1 21 TYR C C 4.309 1.765 0.604 1.00 . A A . 20 TYR C 1 1 6 3000 1 1 21 TYR CA C 5.294 1.183 -0.403 1.00 . A A . 20 TYR CA 1 1 6 3001 1 1 21 TYR CB C 6.159 0.102 0.253 1.00 . A A . 20 TYR CB 1 1 6 3002 1 1 21 TYR CD1 C 4.700 -1.957 0.354 1.00 . A A . 20 TYR CD1 1 1 6 3003 1 1 21 TYR CD2 C 5.315 -0.911 2.406 1.00 . A A . 20 TYR CD2 1 1 6 3004 1 1 21 TYR CE1 C 3.983 -2.909 1.052 1.00 . A A . 20 TYR CE1 1 1 6 3005 1 1 21 TYR CE2 C 4.603 -1.861 3.111 1.00 . A A . 20 TYR CE2 1 1 6 3006 1 1 21 TYR CG C 5.376 -0.943 1.017 1.00 . A A . 20 TYR CG 1 1 6 3007 1 1 21 TYR CZ C 3.938 -2.856 2.430 1.00 . A A . 20 TYR CZ 1 1 6 3008 1 1 21 TYR H H 7.111 2.187 -0.794 1.00 . A A . 20 TYR H 1 1 6 3009 1 1 21 TYR HA H 4.740 0.747 -1.222 1.00 . A A . 20 TYR HA 1 1 6 3010 1 1 21 TYR HB2 H 6.727 -0.406 -0.513 1.00 . A A . 20 TYR HB2 1 1 6 3011 1 1 21 TYR HB3 H 6.842 0.574 0.945 1.00 . A A . 20 TYR HB3 1 1 6 3012 1 1 21 TYR HD1 H 4.739 -1.997 -0.726 1.00 . A A . 20 TYR HD1 1 1 6 3013 1 1 21 TYR HD2 H 5.837 -0.130 2.938 1.00 . A A . 20 TYR HD2 1 1 6 3014 1 1 21 TYR HE1 H 3.463 -3.692 0.519 1.00 . A A . 20 TYR HE1 1 1 6 3015 1 1 21 TYR HE2 H 4.568 -1.818 4.188 1.00 . A A . 20 TYR HE2 1 1 6 3016 1 1 21 TYR HH H 3.423 -4.676 2.772 1.00 . A A . 20 TYR HH 1 1 6 3017 1 1 21 TYR N N 6.143 2.235 -0.944 1.00 . A A . 20 TYR N 1 1 6 3018 1 1 21 TYR O O 3.119 1.457 0.574 1.00 . A A . 20 TYR O 1 1 6 3019 1 1 21 TYR OH O 3.225 -3.802 3.130 1.00 . A A . 20 TYR OH 1 1 6 3020 1 1 22 GLN C C 2.945 4.170 1.789 1.00 . A A . 21 GLN C 1 1 6 3021 1 1 22 GLN CA C 3.978 3.290 2.474 1.00 . A A . 21 GLN CA 1 1 6 3022 1 1 22 GLN CB C 4.830 4.132 3.422 1.00 . A A . 21 GLN CB 1 1 6 3023 1 1 22 GLN CD C 6.609 4.178 5.213 1.00 . A A . 21 GLN CD 1 1 6 3024 1 1 22 GLN CG C 5.731 3.311 4.331 1.00 . A A . 21 GLN CG 1 1 6 3025 1 1 22 GLN H H 5.780 2.812 1.469 1.00 . A A . 21 GLN H 1 1 6 3026 1 1 22 GLN HA H 3.465 2.529 3.041 1.00 . A A . 21 GLN HA 1 1 6 3027 1 1 22 GLN HB2 H 5.452 4.793 2.837 1.00 . A A . 21 GLN HB2 1 1 6 3028 1 1 22 GLN HB3 H 4.176 4.727 4.042 1.00 . A A . 21 GLN HB3 1 1 6 3029 1 1 22 GLN HE21 H 8.001 2.759 5.269 1.00 . A A . 21 GLN HE21 1 1 6 3030 1 1 22 GLN HE22 H 8.359 4.204 6.150 1.00 . A A . 21 GLN HE22 1 1 6 3031 1 1 22 GLN HG2 H 5.114 2.690 4.964 1.00 . A A . 21 GLN HG2 1 1 6 3032 1 1 22 GLN HG3 H 6.363 2.686 3.719 1.00 . A A . 21 GLN HG3 1 1 6 3033 1 1 22 GLN N N 4.814 2.623 1.485 1.00 . A A . 21 GLN N 1 1 6 3034 1 1 22 GLN NE2 N 7.772 3.664 5.580 1.00 . A A . 21 GLN NE2 1 1 6 3035 1 1 22 GLN O O 1.807 4.274 2.242 1.00 . A A . 21 GLN O 1 1 6 3036 1 1 22 GLN OE1 O 6.241 5.300 5.567 1.00 . A A . 21 GLN OE1 1 1 6 3037 1 1 23 ALA C C 1.314 4.829 -0.677 1.00 . A A . 22 ALA C 1 1 6 3038 1 1 23 ALA CA C 2.456 5.641 -0.079 1.00 . A A . 22 ALA CA 1 1 6 3039 1 1 23 ALA CB C 3.231 6.356 -1.172 1.00 . A A . 22 ALA CB 1 1 6 3040 1 1 23 ALA H H 4.277 4.686 0.394 1.00 . A A . 22 ALA H 1 1 6 3041 1 1 23 ALA HA H 2.047 6.384 0.588 1.00 . A A . 22 ALA HA 1 1 6 3042 1 1 23 ALA HB1 H 3.648 5.627 -1.851 1.00 . A A . 22 ALA HB1 1 1 6 3043 1 1 23 ALA HB2 H 4.029 6.932 -0.729 1.00 . A A . 22 ALA HB2 1 1 6 3044 1 1 23 ALA HB3 H 2.567 7.014 -1.713 1.00 . A A . 22 ALA HB3 1 1 6 3045 1 1 23 ALA N N 3.347 4.793 0.691 1.00 . A A . 22 ALA N 1 1 6 3046 1 1 23 ALA O O 0.166 5.279 -0.705 1.00 . A A . 22 ALA O 1 1 6 3047 1 1 24 ASP C C -0.246 2.121 -0.642 1.00 . A A . 23 ASP C 1 1 6 3048 1 1 24 ASP CA C 0.604 2.766 -1.729 1.00 . A A . 23 ASP CA 1 1 6 3049 1 1 24 ASP CB C 1.229 1.694 -2.625 1.00 . A A . 23 ASP CB 1 1 6 3050 1 1 24 ASP CG C 0.197 1.057 -3.535 1.00 . A A . 23 ASP CG 1 1 6 3051 1 1 24 ASP H H 2.549 3.305 -1.071 1.00 . A A . 23 ASP H 1 1 6 3052 1 1 24 ASP HA H -0.032 3.395 -2.331 1.00 . A A . 23 ASP HA 1 1 6 3053 1 1 24 ASP HB2 H 1.996 2.146 -3.241 1.00 . A A . 23 ASP HB2 1 1 6 3054 1 1 24 ASP HB3 H 1.669 0.923 -2.007 1.00 . A A . 23 ASP HB3 1 1 6 3055 1 1 24 ASP N N 1.621 3.622 -1.133 1.00 . A A . 23 ASP N 1 1 6 3056 1 1 24 ASP O O -1.437 1.885 -0.827 1.00 . A A . 23 ASP O 1 1 6 3057 1 1 24 ASP OD1 O -0.176 -0.107 -3.280 1.00 . A A . 23 ASP OD1 1 1 6 3058 1 1 24 ASP OD2 O -0.251 1.709 -4.501 1.00 . A A . 23 ASP OD2 1 1 6 3059 1 1 25 LEU C C -1.328 2.436 2.142 1.00 . A A . 24 LEU C 1 1 6 3060 1 1 25 LEU CA C -0.348 1.360 1.669 1.00 . A A . 24 LEU CA 1 1 6 3061 1 1 25 LEU CB C 0.653 0.962 2.777 1.00 . A A . 24 LEU CB 1 1 6 3062 1 1 25 LEU CD1 C -0.448 1.374 5.005 1.00 . A A . 24 LEU CD1 1 1 6 3063 1 1 25 LEU CD2 C -1.028 -0.678 3.701 1.00 . A A . 24 LEU CD2 1 1 6 3064 1 1 25 LEU CG C 0.072 0.317 4.048 1.00 . A A . 24 LEU CG 1 1 6 3065 1 1 25 LEU H H 1.346 1.981 0.557 1.00 . A A . 24 LEU H 1 1 6 3066 1 1 25 LEU HA H -0.915 0.491 1.370 1.00 . A A . 24 LEU HA 1 1 6 3067 1 1 25 LEU HB2 H 1.366 0.270 2.354 1.00 . A A . 24 LEU HB2 1 1 6 3068 1 1 25 LEU HB3 H 1.184 1.852 3.074 1.00 . A A . 24 LEU HB3 1 1 6 3069 1 1 25 LEU HD11 H 0.367 2.016 5.308 1.00 . A A . 24 LEU HD11 1 1 6 3070 1 1 25 LEU HD12 H -0.874 0.897 5.875 1.00 . A A . 24 LEU HD12 1 1 6 3071 1 1 25 LEU HD13 H -1.204 1.964 4.509 1.00 . A A . 24 LEU HD13 1 1 6 3072 1 1 25 LEU HD21 H -0.611 -1.491 3.127 1.00 . A A . 24 LEU HD21 1 1 6 3073 1 1 25 LEU HD22 H -1.789 -0.182 3.119 1.00 . A A . 24 LEU HD22 1 1 6 3074 1 1 25 LEU HD23 H -1.464 -1.064 4.610 1.00 . A A . 24 LEU HD23 1 1 6 3075 1 1 25 LEU HG H 0.858 -0.224 4.554 1.00 . A A . 24 LEU HG 1 1 6 3076 1 1 25 LEU N N 0.374 1.850 0.500 1.00 . A A . 24 LEU N 1 1 6 3077 1 1 25 LEU O O -2.453 2.138 2.538 1.00 . A A . 24 LEU O 1 1 6 3078 1 1 26 ALA C C -2.938 4.873 1.419 1.00 . A A . 25 ALA C 1 1 6 3079 1 1 26 ALA CA C -1.758 4.819 2.384 1.00 . A A . 25 ALA CA 1 1 6 3080 1 1 26 ALA CB C -0.967 6.111 2.320 1.00 . A A . 25 ALA CB 1 1 6 3081 1 1 26 ALA H H 0.037 3.858 1.812 1.00 . A A . 25 ALA H 1 1 6 3082 1 1 26 ALA HA H -2.126 4.696 3.390 1.00 . A A . 25 ALA HA 1 1 6 3083 1 1 26 ALA HB1 H -1.604 6.937 2.595 1.00 . A A . 25 ALA HB1 1 1 6 3084 1 1 26 ALA HB2 H -0.601 6.255 1.313 1.00 . A A . 25 ALA HB2 1 1 6 3085 1 1 26 ALA HB3 H -0.132 6.054 3.001 1.00 . A A . 25 ALA HB3 1 1 6 3086 1 1 26 ALA N N -0.895 3.689 2.071 1.00 . A A . 25 ALA N 1 1 6 3087 1 1 26 ALA O O -4.064 5.192 1.806 1.00 . A A . 25 ALA O 1 1 6 3088 1 1 27 LYS C C -4.699 3.382 -0.495 1.00 . A A . 26 LYS C 1 1 6 3089 1 1 27 LYS CA C -3.703 4.473 -0.864 1.00 . A A . 26 LYS CA 1 1 6 3090 1 1 27 LYS CB C -3.075 4.175 -2.230 1.00 . A A . 26 LYS CB 1 1 6 3091 1 1 27 LYS CD C -3.386 3.709 -4.676 1.00 . A A . 26 LYS CD 1 1 6 3092 1 1 27 LYS CE C -4.370 3.594 -5.829 1.00 . A A . 26 LYS CE 1 1 6 3093 1 1 27 LYS CG C -4.076 4.085 -3.373 1.00 . A A . 26 LYS CG 1 1 6 3094 1 1 27 LYS H H -1.732 4.386 -0.095 1.00 . A A . 26 LYS H 1 1 6 3095 1 1 27 LYS HA H -4.215 5.421 -0.904 1.00 . A A . 26 LYS HA 1 1 6 3096 1 1 27 LYS HB2 H -2.367 4.953 -2.464 1.00 . A A . 26 LYS HB2 1 1 6 3097 1 1 27 LYS HB3 H -2.550 3.233 -2.170 1.00 . A A . 26 LYS HB3 1 1 6 3098 1 1 27 LYS HD2 H -2.659 4.470 -4.916 1.00 . A A . 26 LYS HD2 1 1 6 3099 1 1 27 LYS HD3 H -2.886 2.761 -4.545 1.00 . A A . 26 LYS HD3 1 1 6 3100 1 1 27 LYS HE2 H -4.876 4.539 -5.950 1.00 . A A . 26 LYS HE2 1 1 6 3101 1 1 27 LYS HE3 H -3.822 3.360 -6.731 1.00 . A A . 26 LYS HE3 1 1 6 3102 1 1 27 LYS HG2 H -4.813 3.331 -3.136 1.00 . A A . 26 LYS HG2 1 1 6 3103 1 1 27 LYS HG3 H -4.559 5.042 -3.493 1.00 . A A . 26 LYS HG3 1 1 6 3104 1 1 27 LYS HZ1 H -6.007 2.442 -6.421 1.00 . A A . 26 LYS HZ1 1 1 6 3105 1 1 27 LYS HZ2 H -5.966 2.772 -4.766 1.00 . A A . 26 LYS HZ2 1 1 6 3106 1 1 27 LYS HZ3 H -4.916 1.622 -5.423 1.00 . A A . 26 LYS HZ3 1 1 6 3107 1 1 27 LYS N N -2.664 4.560 0.157 1.00 . A A . 26 LYS N 1 1 6 3108 1 1 27 LYS NZ N -5.384 2.535 -5.592 1.00 . A A . 26 LYS NZ 1 1 6 3109 1 1 27 LYS O O -5.912 3.560 -0.623 1.00 . A A . 26 LYS O 1 1 6 3110 1 1 28 TYR C C -5.886 1.553 1.582 1.00 . A A . 27 TYR C 1 1 6 3111 1 1 28 TYR CA C -4.992 1.142 0.419 1.00 . A A . 27 TYR CA 1 1 6 3112 1 1 28 TYR CB C -4.107 -0.049 0.820 1.00 . A A . 27 TYR CB 1 1 6 3113 1 1 28 TYR CD1 C -5.448 -2.179 0.573 1.00 . A A . 27 TYR CD1 1 1 6 3114 1 1 28 TYR CD2 C -5.022 -1.370 2.771 1.00 . A A . 27 TYR CD2 1 1 6 3115 1 1 28 TYR CE1 C -6.142 -3.250 1.097 1.00 . A A . 27 TYR CE1 1 1 6 3116 1 1 28 TYR CE2 C -5.719 -2.438 3.302 1.00 . A A . 27 TYR CE2 1 1 6 3117 1 1 28 TYR CG C -4.873 -1.220 1.399 1.00 . A A . 27 TYR CG 1 1 6 3118 1 1 28 TYR CZ C -6.285 -3.368 2.464 1.00 . A A . 27 TYR CZ 1 1 6 3119 1 1 28 TYR H H -3.191 2.181 0.031 1.00 . A A . 27 TYR H 1 1 6 3120 1 1 28 TYR HA H -5.618 0.849 -0.410 1.00 . A A . 27 TYR HA 1 1 6 3121 1 1 28 TYR HB2 H -3.572 -0.402 -0.049 1.00 . A A . 27 TYR HB2 1 1 6 3122 1 1 28 TYR HB3 H -3.395 0.279 1.559 1.00 . A A . 27 TYR HB3 1 1 6 3123 1 1 28 TYR HD1 H -5.346 -2.080 -0.496 1.00 . A A . 27 TYR HD1 1 1 6 3124 1 1 28 TYR HD2 H -4.583 -0.635 3.429 1.00 . A A . 27 TYR HD2 1 1 6 3125 1 1 28 TYR HE1 H -6.580 -3.983 0.437 1.00 . A A . 27 TYR HE1 1 1 6 3126 1 1 28 TYR HE2 H -5.826 -2.532 4.374 1.00 . A A . 27 TYR HE2 1 1 6 3127 1 1 28 TYR HH H -7.593 -4.134 3.652 1.00 . A A . 27 TYR HH 1 1 6 3128 1 1 28 TYR N N -4.170 2.260 -0.019 1.00 . A A . 27 TYR N 1 1 6 3129 1 1 28 TYR O O -7.079 1.279 1.571 1.00 . A A . 27 TYR O 1 1 6 3130 1 1 28 TYR OH O -6.968 -4.446 2.985 1.00 . A A . 27 TYR OH 1 1 6 3131 1 1 29 GLN C C -7.159 3.636 3.377 1.00 . A A . 28 GLN C 1 1 6 3132 1 1 29 GLN CA C -6.063 2.645 3.754 1.00 . A A . 28 GLN CA 1 1 6 3133 1 1 29 GLN CB C -5.144 3.269 4.809 1.00 . A A . 28 GLN CB 1 1 6 3134 1 1 29 GLN CD C -3.342 2.880 6.542 1.00 . A A . 28 GLN CD 1 1 6 3135 1 1 29 GLN CG C -4.103 2.304 5.364 1.00 . A A . 28 GLN CG 1 1 6 3136 1 1 29 GLN H H -4.351 2.433 2.518 1.00 . A A . 28 GLN H 1 1 6 3137 1 1 29 GLN HA H -6.528 1.766 4.172 1.00 . A A . 28 GLN HA 1 1 6 3138 1 1 29 GLN HB2 H -4.628 4.111 4.369 1.00 . A A . 28 GLN HB2 1 1 6 3139 1 1 29 GLN HB3 H -5.751 3.623 5.631 1.00 . A A . 28 GLN HB3 1 1 6 3140 1 1 29 GLN HE21 H -3.043 1.056 7.273 1.00 . A A . 28 GLN HE21 1 1 6 3141 1 1 29 GLN HE22 H -2.380 2.357 8.196 1.00 . A A . 28 GLN HE22 1 1 6 3142 1 1 29 GLN HG2 H -4.601 1.399 5.684 1.00 . A A . 28 GLN HG2 1 1 6 3143 1 1 29 GLN HG3 H -3.397 2.068 4.581 1.00 . A A . 28 GLN HG3 1 1 6 3144 1 1 29 GLN N N -5.308 2.223 2.577 1.00 . A A . 28 GLN N 1 1 6 3145 1 1 29 GLN NE2 N -2.875 2.012 7.427 1.00 . A A . 28 GLN NE2 1 1 6 3146 1 1 29 GLN O O -8.269 3.574 3.905 1.00 . A A . 28 GLN O 1 1 6 3147 1 1 29 GLN OE1 O -3.161 4.093 6.651 1.00 . A A . 28 GLN OE1 1 1 6 3148 1 1 30 LYS C C -8.970 4.848 1.297 1.00 . A A . 29 LYS C 1 1 6 3149 1 1 30 LYS CA C -7.805 5.531 2.002 1.00 . A A . 29 LYS CA 1 1 6 3150 1 1 30 LYS CB C -7.134 6.538 1.060 1.00 . A A . 29 LYS CB 1 1 6 3151 1 1 30 LYS CD C -8.523 8.501 1.796 1.00 . A A . 29 LYS CD 1 1 6 3152 1 1 30 LYS CE C -9.380 9.677 1.352 1.00 . A A . 29 LYS CE 1 1 6 3153 1 1 30 LYS CG C -8.048 7.670 0.614 1.00 . A A . 29 LYS CG 1 1 6 3154 1 1 30 LYS H H -5.931 4.552 2.094 1.00 . A A . 29 LYS H 1 1 6 3155 1 1 30 LYS HA H -8.179 6.055 2.867 1.00 . A A . 29 LYS HA 1 1 6 3156 1 1 30 LYS HB2 H -6.284 6.970 1.566 1.00 . A A . 29 LYS HB2 1 1 6 3157 1 1 30 LYS HB3 H -6.789 6.015 0.179 1.00 . A A . 29 LYS HB3 1 1 6 3158 1 1 30 LYS HD2 H -9.107 7.873 2.452 1.00 . A A . 29 LYS HD2 1 1 6 3159 1 1 30 LYS HD3 H -7.662 8.876 2.328 1.00 . A A . 29 LYS HD3 1 1 6 3160 1 1 30 LYS HE2 H -9.641 10.264 2.219 1.00 . A A . 29 LYS HE2 1 1 6 3161 1 1 30 LYS HE3 H -8.807 10.285 0.667 1.00 . A A . 29 LYS HE3 1 1 6 3162 1 1 30 LYS HG2 H -7.507 8.310 -0.068 1.00 . A A . 29 LYS HG2 1 1 6 3163 1 1 30 LYS HG3 H -8.907 7.249 0.113 1.00 . A A . 29 LYS HG3 1 1 6 3164 1 1 30 LYS HZ1 H -11.200 8.649 1.316 1.00 . A A . 29 LYS HZ1 1 1 6 3165 1 1 30 LYS HZ2 H -10.405 8.684 -0.175 1.00 . A A . 29 LYS HZ2 1 1 6 3166 1 1 30 LYS HZ3 H -11.194 10.065 0.392 1.00 . A A . 29 LYS HZ3 1 1 6 3167 1 1 30 LYS N N -6.841 4.544 2.464 1.00 . A A . 29 LYS N 1 1 6 3168 1 1 30 LYS NZ N -10.630 9.236 0.676 1.00 . A A . 29 LYS NZ 1 1 6 3169 1 1 30 LYS O O -10.136 5.125 1.584 1.00 . A A . 29 LYS O 1 1 6 3170 1 1 31 ASP C C -10.424 2.272 0.575 1.00 . A A . 30 ASP C 1 1 6 3171 1 1 31 ASP CA C -9.664 3.211 -0.361 1.00 . A A . 30 ASP CA 1 1 6 3172 1 1 31 ASP CB C -9.026 2.428 -1.509 1.00 . A A . 30 ASP CB 1 1 6 3173 1 1 31 ASP CG C -10.053 1.926 -2.501 1.00 . A A . 30 ASP CG 1 1 6 3174 1 1 31 ASP H H -7.696 3.776 0.193 1.00 . A A . 30 ASP H 1 1 6 3175 1 1 31 ASP HA H -10.357 3.930 -0.770 1.00 . A A . 30 ASP HA 1 1 6 3176 1 1 31 ASP HB2 H -8.332 3.069 -2.035 1.00 . A A . 30 ASP HB2 1 1 6 3177 1 1 31 ASP HB3 H -8.494 1.576 -1.106 1.00 . A A . 30 ASP HB3 1 1 6 3178 1 1 31 ASP N N -8.647 3.950 0.378 1.00 . A A . 30 ASP N 1 1 6 3179 1 1 31 ASP O O -11.615 2.015 0.390 1.00 . A A . 30 ASP O 1 1 6 3180 1 1 31 ASP OD1 O -10.246 0.697 -2.603 1.00 . A A . 30 ASP OD1 1 1 6 3181 1 1 31 ASP OD2 O -10.670 2.762 -3.193 1.00 . A A . 30 ASP OD2 1 1 6 3182 1 1 32 LEU C C -11.325 1.735 3.430 1.00 . A A . 31 LEU C 1 1 6 3183 1 1 32 LEU CA C -10.305 0.937 2.628 1.00 . A A . 31 LEU CA 1 1 6 3184 1 1 32 LEU CB C -9.198 0.414 3.554 1.00 . A A . 31 LEU CB 1 1 6 3185 1 1 32 LEU CD1 C -10.287 -1.760 4.195 1.00 . A A . 31 LEU CD1 1 1 6 3186 1 1 32 LEU CD2 C -8.466 -0.798 5.610 1.00 . A A . 31 LEU CD2 1 1 6 3187 1 1 32 LEU CG C -9.649 -0.480 4.711 1.00 . A A . 31 LEU CG 1 1 6 3188 1 1 32 LEU H H -8.751 1.952 1.614 1.00 . A A . 31 LEU H 1 1 6 3189 1 1 32 LEU HA H -10.801 0.106 2.158 1.00 . A A . 31 LEU HA 1 1 6 3190 1 1 32 LEU HB2 H -8.491 -0.143 2.957 1.00 . A A . 31 LEU HB2 1 1 6 3191 1 1 32 LEU HB3 H -8.685 1.268 3.974 1.00 . A A . 31 LEU HB3 1 1 6 3192 1 1 32 LEU HD11 H -11.180 -1.519 3.639 1.00 . A A . 31 LEU HD11 1 1 6 3193 1 1 32 LEU HD12 H -10.544 -2.397 5.029 1.00 . A A . 31 LEU HD12 1 1 6 3194 1 1 32 LEU HD13 H -9.589 -2.275 3.553 1.00 . A A . 31 LEU HD13 1 1 6 3195 1 1 32 LEU HD21 H -8.089 0.115 6.045 1.00 . A A . 31 LEU HD21 1 1 6 3196 1 1 32 LEU HD22 H -7.687 -1.265 5.025 1.00 . A A . 31 LEU HD22 1 1 6 3197 1 1 32 LEU HD23 H -8.779 -1.471 6.396 1.00 . A A . 31 LEU HD23 1 1 6 3198 1 1 32 LEU HG H -10.385 0.047 5.300 1.00 . A A . 31 LEU HG 1 1 6 3199 1 1 32 LEU N N -9.716 1.768 1.581 1.00 . A A . 31 LEU N 1 1 6 3200 1 1 32 LEU O O -12.372 1.217 3.818 1.00 . A A . 31 LEU O 1 1 6 3201 1 1 33 ALA C C -13.155 4.139 3.547 1.00 . A A . 32 ALA C 1 1 6 3202 1 1 33 ALA CA C -11.899 3.904 4.370 1.00 . A A . 32 ALA CA 1 1 6 3203 1 1 33 ALA CB C -11.199 5.223 4.634 1.00 . A A . 32 ALA CB 1 1 6 3204 1 1 33 ALA H H -10.119 3.321 3.402 1.00 . A A . 32 ALA H 1 1 6 3205 1 1 33 ALA HA H -12.167 3.466 5.318 1.00 . A A . 32 ALA HA 1 1 6 3206 1 1 33 ALA HB1 H -11.854 5.873 5.191 1.00 . A A . 32 ALA HB1 1 1 6 3207 1 1 33 ALA HB2 H -10.946 5.686 3.691 1.00 . A A . 32 ALA HB2 1 1 6 3208 1 1 33 ALA HB3 H -10.299 5.045 5.201 1.00 . A A . 32 ALA HB3 1 1 6 3209 1 1 33 ALA N N -11.000 2.994 3.683 1.00 . A A . 32 ALA N 1 1 6 3210 1 1 33 ALA O O -14.267 4.164 4.073 1.00 . A A . 32 ALA O 1 1 6 3211 1 1 34 ASP C C -14.909 3.285 1.172 1.00 . A A . 33 ASP C 1 1 6 3212 1 1 34 ASP CA C -14.055 4.541 1.319 1.00 . A A . 33 ASP CA 1 1 6 3213 1 1 34 ASP CB C -13.507 4.974 -0.047 1.00 . A A . 33 ASP CB 1 1 6 3214 1 1 34 ASP CG C -14.600 5.246 -1.062 1.00 . A A . 33 ASP CG 1 1 6 3215 1 1 34 ASP H H -12.035 4.290 1.906 1.00 . A A . 33 ASP H 1 1 6 3216 1 1 34 ASP HA H -14.665 5.332 1.722 1.00 . A A . 33 ASP HA 1 1 6 3217 1 1 34 ASP HB2 H -12.925 5.876 0.077 1.00 . A A . 33 ASP HB2 1 1 6 3218 1 1 34 ASP HB3 H -12.870 4.192 -0.433 1.00 . A A . 33 ASP HB3 1 1 6 3219 1 1 34 ASP N N -12.956 4.310 2.248 1.00 . A A . 33 ASP N 1 1 6 3220 1 1 34 ASP O O -16.109 3.357 0.900 1.00 . A A . 33 ASP O 1 1 6 3221 1 1 34 ASP OD1 O -14.862 4.371 -1.915 1.00 . A A . 33 ASP OD1 1 1 6 3222 1 1 34 ASP OD2 O -15.221 6.327 -0.998 1.00 . A A . 33 ASP OD2 1 1 6 3223 1 1 35 TYR C C -15.839 0.626 2.509 1.00 . A A . 34 TYR C 1 1 6 3224 1 1 35 TYR CA C -14.966 0.857 1.280 1.00 . A A . 34 TYR CA 1 1 6 3225 1 1 35 TYR CB C -13.935 -0.264 1.134 1.00 . A A . 34 TYR CB 1 1 6 3226 1 1 35 TYR CD1 C -15.474 -1.825 -0.117 1.00 . A A . 34 TYR CD1 1 1 6 3227 1 1 35 TYR CD2 C -14.124 -2.727 1.623 1.00 . A A . 34 TYR CD2 1 1 6 3228 1 1 35 TYR CE1 C -16.003 -3.074 -0.360 1.00 . A A . 34 TYR CE1 1 1 6 3229 1 1 35 TYR CE2 C -14.648 -3.979 1.388 1.00 . A A . 34 TYR CE2 1 1 6 3230 1 1 35 TYR CG C -14.527 -1.630 0.879 1.00 . A A . 34 TYR CG 1 1 6 3231 1 1 35 TYR CZ C -15.587 -4.148 0.395 1.00 . A A . 34 TYR CZ 1 1 6 3232 1 1 35 TYR H H -13.328 2.151 1.595 1.00 . A A . 34 TYR H 1 1 6 3233 1 1 35 TYR HA H -15.593 0.878 0.404 1.00 . A A . 34 TYR HA 1 1 6 3234 1 1 35 TYR HB2 H -13.281 -0.034 0.310 1.00 . A A . 34 TYR HB2 1 1 6 3235 1 1 35 TYR HB3 H -13.353 -0.322 2.041 1.00 . A A . 34 TYR HB3 1 1 6 3236 1 1 35 TYR HD1 H -15.798 -0.982 -0.708 1.00 . A A . 34 TYR HD1 1 1 6 3237 1 1 35 TYR HD2 H -13.387 -2.595 2.400 1.00 . A A . 34 TYR HD2 1 1 6 3238 1 1 35 TYR HE1 H -16.738 -3.205 -1.137 1.00 . A A . 34 TYR HE1 1 1 6 3239 1 1 35 TYR HE2 H -14.323 -4.818 1.980 1.00 . A A . 34 TYR HE2 1 1 6 3240 1 1 35 TYR HH H -16.348 -5.811 0.993 1.00 . A A . 34 TYR HH 1 1 6 3241 1 1 35 TYR N N -14.284 2.137 1.374 1.00 . A A . 34 TYR N 1 1 6 3242 1 1 35 TYR O O -15.338 0.454 3.621 1.00 . A A . 34 TYR O 1 1 6 3243 1 1 35 TYR OH O -16.107 -5.396 0.152 1.00 . A A . 34 TYR OH 1 1 6 3244 1 1 36 NH2 HN1 H -17.475 0.787 1.397 1.00 . A A . 35 NH2 HN1 1 1 6 3245 1 1 36 NH2 HN2 H -17.734 0.494 3.079 1.00 . A A . 35 NH2 HN2 1 1 6 3246 1 1 36 NH2 N N -17.146 0.635 2.308 1.00 . A A . 35 NH2 N 1 1 7 3247 1 1 1 ACE C C -13.918 -4.809 -2.743 1.00 . A A . 0 ACE C 1 1 7 3248 1 1 1 ACE CH3 C -14.580 -3.470 -2.596 1.00 . A A . 0 ACE CH3 1 1 7 3249 1 1 1 ACE H1 H -13.822 -2.730 -2.365 1.00 . A A . 0 ACE H1 1 1 7 3250 1 1 1 ACE H2 H -15.293 -3.513 -1.796 1.00 . A A . 0 ACE H2 1 1 7 3251 1 1 1 ACE H3 H -15.091 -3.231 -3.522 1.00 . A A . 0 ACE H3 1 1 7 3252 1 1 1 ACE O O -13.807 -5.343 -3.848 1.00 . A A . 0 ACE O 1 1 7 3253 1 1 2 PRO C C -11.109 -4.593 -1.710 1.00 . A A . 1 PRO C 1 1 7 3254 1 1 2 PRO CA C -12.343 -4.843 -0.845 1.00 . A A . 1 PRO CA 1 1 7 3255 1 1 2 PRO CB C -12.057 -5.942 0.182 1.00 . A A . 1 PRO CB 1 1 7 3256 1 1 2 PRO CD C -14.022 -6.608 -1.024 1.00 . A A . 1 PRO CD 1 1 7 3257 1 1 2 PRO CG C -13.328 -6.702 0.311 1.00 . A A . 1 PRO CG 1 1 7 3258 1 1 2 PRO HA H -12.622 -3.931 -0.339 1.00 . A A . 1 PRO HA 1 1 7 3259 1 1 2 PRO HB2 H -11.260 -6.581 -0.177 1.00 . A A . 1 PRO HB2 1 1 7 3260 1 1 2 PRO HB3 H -11.790 -5.507 1.131 1.00 . A A . 1 PRO HB3 1 1 7 3261 1 1 2 PRO HD2 H -13.795 -7.469 -1.631 1.00 . A A . 1 PRO HD2 1 1 7 3262 1 1 2 PRO HD3 H -15.091 -6.509 -0.893 1.00 . A A . 1 PRO HD3 1 1 7 3263 1 1 2 PRO HG2 H -13.110 -7.734 0.554 1.00 . A A . 1 PRO HG2 1 1 7 3264 1 1 2 PRO HG3 H -13.943 -6.260 1.079 1.00 . A A . 1 PRO HG3 1 1 7 3265 1 1 2 PRO N N -13.460 -5.388 -1.626 1.00 . A A . 1 PRO N 1 1 7 3266 1 1 2 PRO O O -10.775 -5.413 -2.569 1.00 . A A . 1 PRO O 1 1 7 3267 1 1 3 PRO C C -8.150 -4.145 -2.251 1.00 . A A . 2 PRO C 1 1 7 3268 1 1 3 PRO CA C -9.240 -3.082 -2.289 1.00 . A A . 2 PRO CA 1 1 7 3269 1 1 3 PRO CB C -8.737 -1.796 -1.621 1.00 . A A . 2 PRO CB 1 1 7 3270 1 1 3 PRO CD C -10.730 -2.445 -0.472 1.00 . A A . 2 PRO CD 1 1 7 3271 1 1 3 PRO CG C -9.422 -1.724 -0.302 1.00 . A A . 2 PRO CG 1 1 7 3272 1 1 3 PRO HA H -9.504 -2.875 -3.315 1.00 . A A . 2 PRO HA 1 1 7 3273 1 1 3 PRO HB2 H -7.662 -1.847 -1.494 1.00 . A A . 2 PRO HB2 1 1 7 3274 1 1 3 PRO HB3 H -9.002 -0.940 -2.222 1.00 . A A . 2 PRO HB3 1 1 7 3275 1 1 3 PRO HD2 H -11.027 -2.911 0.455 1.00 . A A . 2 PRO HD2 1 1 7 3276 1 1 3 PRO HD3 H -11.495 -1.768 -0.818 1.00 . A A . 2 PRO HD3 1 1 7 3277 1 1 3 PRO HG2 H -8.816 -2.211 0.453 1.00 . A A . 2 PRO HG2 1 1 7 3278 1 1 3 PRO HG3 H -9.599 -0.694 -0.036 1.00 . A A . 2 PRO HG3 1 1 7 3279 1 1 3 PRO N N -10.419 -3.455 -1.498 1.00 . A A . 2 PRO N 1 1 7 3280 1 1 3 PRO O O -8.006 -4.868 -1.263 1.00 . A A . 2 PRO O 1 1 7 3281 1 1 4 THR C C -5.105 -4.619 -2.598 1.00 . A A . 3 THR C 1 1 7 3282 1 1 4 THR CA C -6.284 -5.172 -3.389 1.00 . A A . 3 THR CA 1 1 7 3283 1 1 4 THR CB C -5.857 -5.433 -4.842 1.00 . A A . 3 THR CB 1 1 7 3284 1 1 4 THR CG2 C -4.885 -6.600 -4.921 1.00 . A A . 3 THR CG2 1 1 7 3285 1 1 4 THR H H -7.575 -3.670 -4.104 1.00 . A A . 3 THR H 1 1 7 3286 1 1 4 THR HA H -6.599 -6.105 -2.948 1.00 . A A . 3 THR HA 1 1 7 3287 1 1 4 THR HB H -5.371 -4.550 -5.223 1.00 . A A . 3 THR HB 1 1 7 3288 1 1 4 THR HG1 H -7.771 -5.886 -5.065 1.00 . A A . 3 THR HG1 1 1 7 3289 1 1 4 THR HG21 H -4.014 -6.379 -4.322 1.00 . A A . 3 THR HG21 1 1 7 3290 1 1 4 THR HG22 H -4.591 -6.753 -5.946 1.00 . A A . 3 THR HG22 1 1 7 3291 1 1 4 THR HG23 H -5.365 -7.492 -4.545 1.00 . A A . 3 THR HG23 1 1 7 3292 1 1 4 THR N N -7.391 -4.243 -3.330 1.00 . A A . 3 THR N 1 1 7 3293 1 1 4 THR O O -4.756 -3.446 -2.729 1.00 . A A . 3 THR O 1 1 7 3294 1 1 4 THR OG1 O -7.014 -5.719 -5.645 1.00 . A A . 3 THR OG1 1 1 7 3295 1 1 5 LYS C C -2.173 -4.741 -1.781 1.00 . A A . 4 LYS C 1 1 7 3296 1 1 5 LYS CA C -3.399 -5.054 -0.926 1.00 . A A . 4 LYS CA 1 1 7 3297 1 1 5 LYS CB C -3.082 -6.161 0.080 1.00 . A A . 4 LYS CB 1 1 7 3298 1 1 5 LYS CD C -3.948 -7.666 1.901 1.00 . A A . 4 LYS CD 1 1 7 3299 1 1 5 LYS CE C -2.795 -7.401 2.857 1.00 . A A . 4 LYS CE 1 1 7 3300 1 1 5 LYS CG C -4.238 -6.465 1.021 1.00 . A A . 4 LYS CG 1 1 7 3301 1 1 5 LYS H H -4.838 -6.385 -1.716 1.00 . A A . 4 LYS H 1 1 7 3302 1 1 5 LYS HA H -3.691 -4.163 -0.391 1.00 . A A . 4 LYS HA 1 1 7 3303 1 1 5 LYS HB2 H -2.841 -7.065 -0.463 1.00 . A A . 4 LYS HB2 1 1 7 3304 1 1 5 LYS HB3 H -2.228 -5.863 0.674 1.00 . A A . 4 LYS HB3 1 1 7 3305 1 1 5 LYS HD2 H -4.832 -7.896 2.478 1.00 . A A . 4 LYS HD2 1 1 7 3306 1 1 5 LYS HD3 H -3.696 -8.508 1.273 1.00 . A A . 4 LYS HD3 1 1 7 3307 1 1 5 LYS HE2 H -1.937 -7.082 2.287 1.00 . A A . 4 LYS HE2 1 1 7 3308 1 1 5 LYS HE3 H -3.085 -6.616 3.539 1.00 . A A . 4 LYS HE3 1 1 7 3309 1 1 5 LYS HG2 H -4.408 -5.605 1.651 1.00 . A A . 4 LYS HG2 1 1 7 3310 1 1 5 LYS HG3 H -5.122 -6.662 0.433 1.00 . A A . 4 LYS HG3 1 1 7 3311 1 1 5 LYS HZ1 H -1.669 -8.387 4.307 1.00 . A A . 4 LYS HZ1 1 1 7 3312 1 1 5 LYS HZ2 H -2.109 -9.364 2.998 1.00 . A A . 4 LYS HZ2 1 1 7 3313 1 1 5 LYS HZ3 H -3.258 -8.954 4.170 1.00 . A A . 4 LYS HZ3 1 1 7 3314 1 1 5 LYS N N -4.516 -5.459 -1.764 1.00 . A A . 4 LYS N 1 1 7 3315 1 1 5 LYS NZ N -2.433 -8.610 3.638 1.00 . A A . 4 LYS NZ 1 1 7 3316 1 1 5 LYS O O -2.023 -5.293 -2.874 1.00 . A A . 4 LYS O 1 1 7 3317 1 1 6 PRO C C 0.803 -4.656 -2.378 1.00 . A A . 5 PRO C 1 1 7 3318 1 1 6 PRO CA C -0.081 -3.458 -2.041 1.00 . A A . 5 PRO CA 1 1 7 3319 1 1 6 PRO CB C 0.646 -2.512 -1.077 1.00 . A A . 5 PRO CB 1 1 7 3320 1 1 6 PRO CD C -1.424 -3.087 -0.051 1.00 . A A . 5 PRO CD 1 1 7 3321 1 1 6 PRO CG C 0.001 -2.720 0.248 1.00 . A A . 5 PRO CG 1 1 7 3322 1 1 6 PRO HA H -0.319 -2.929 -2.950 1.00 . A A . 5 PRO HA 1 1 7 3323 1 1 6 PRO HB2 H 1.698 -2.767 -1.041 1.00 . A A . 5 PRO HB2 1 1 7 3324 1 1 6 PRO HB3 H 0.518 -1.489 -1.396 1.00 . A A . 5 PRO HB3 1 1 7 3325 1 1 6 PRO HD2 H -1.832 -3.710 0.735 1.00 . A A . 5 PRO HD2 1 1 7 3326 1 1 6 PRO HD3 H -2.026 -2.198 -0.186 1.00 . A A . 5 PRO HD3 1 1 7 3327 1 1 6 PRO HG2 H 0.501 -3.525 0.777 1.00 . A A . 5 PRO HG2 1 1 7 3328 1 1 6 PRO HG3 H 0.037 -1.806 0.823 1.00 . A A . 5 PRO HG3 1 1 7 3329 1 1 6 PRO N N -1.298 -3.834 -1.314 1.00 . A A . 5 PRO N 1 1 7 3330 1 1 6 PRO O O 1.242 -5.393 -1.493 1.00 . A A . 5 PRO O 1 1 7 3331 1 1 7 THR C C 3.353 -5.636 -3.995 1.00 . A A . 6 THR C 1 1 7 3332 1 1 7 THR CA C 1.865 -5.948 -4.145 1.00 . A A . 6 THR CA 1 1 7 3333 1 1 7 THR CB C 1.553 -6.244 -5.618 1.00 . A A . 6 THR CB 1 1 7 3334 1 1 7 THR CG2 C 2.091 -7.605 -6.031 1.00 . A A . 6 THR CG2 1 1 7 3335 1 1 7 THR H H 0.667 -4.222 -4.317 1.00 . A A . 6 THR H 1 1 7 3336 1 1 7 THR HA H 1.626 -6.822 -3.564 1.00 . A A . 6 THR HA 1 1 7 3337 1 1 7 THR HB H 2.021 -5.486 -6.227 1.00 . A A . 6 THR HB 1 1 7 3338 1 1 7 THR HG1 H -0.264 -7.014 -5.466 1.00 . A A . 6 THR HG1 1 1 7 3339 1 1 7 THR HG21 H 1.841 -7.793 -7.064 1.00 . A A . 6 THR HG21 1 1 7 3340 1 1 7 THR HG22 H 1.651 -8.368 -5.407 1.00 . A A . 6 THR HG22 1 1 7 3341 1 1 7 THR HG23 H 3.164 -7.616 -5.914 1.00 . A A . 6 THR HG23 1 1 7 3342 1 1 7 THR N N 1.051 -4.844 -3.666 1.00 . A A . 6 THR N 1 1 7 3343 1 1 7 THR O O 4.196 -6.538 -3.990 1.00 . A A . 6 THR O 1 1 7 3344 1 1 7 THR OG1 O 0.135 -6.208 -5.828 1.00 . A A . 6 THR OG1 1 1 7 3345 1 1 8 LYS C C 5.636 -4.458 -2.406 1.00 . A A . 7 LYS C 1 1 7 3346 1 1 8 LYS CA C 5.048 -3.919 -3.708 1.00 . A A . 7 LYS CA 1 1 7 3347 1 1 8 LYS CB C 5.144 -2.387 -3.758 1.00 . A A . 7 LYS CB 1 1 7 3348 1 1 8 LYS CD C 5.237 -0.303 -5.181 1.00 . A A . 7 LYS CD 1 1 7 3349 1 1 8 LYS CE C 3.974 0.411 -4.726 1.00 . A A . 7 LYS CE 1 1 7 3350 1 1 8 LYS CG C 5.074 -1.818 -5.173 1.00 . A A . 7 LYS CG 1 1 7 3351 1 1 8 LYS H H 2.955 -3.683 -3.884 1.00 . A A . 7 LYS H 1 1 7 3352 1 1 8 LYS HA H 5.616 -4.328 -4.529 1.00 . A A . 7 LYS HA 1 1 7 3353 1 1 8 LYS HB2 H 4.334 -1.968 -3.181 1.00 . A A . 7 LYS HB2 1 1 7 3354 1 1 8 LYS HB3 H 6.080 -2.084 -3.318 1.00 . A A . 7 LYS HB3 1 1 7 3355 1 1 8 LYS HD2 H 6.044 -0.036 -4.515 1.00 . A A . 7 LYS HD2 1 1 7 3356 1 1 8 LYS HD3 H 5.477 0.018 -6.183 1.00 . A A . 7 LYS HD3 1 1 7 3357 1 1 8 LYS HE2 H 3.660 -0.010 -3.783 1.00 . A A . 7 LYS HE2 1 1 7 3358 1 1 8 LYS HE3 H 4.196 1.459 -4.595 1.00 . A A . 7 LYS HE3 1 1 7 3359 1 1 8 LYS HG2 H 5.867 -2.254 -5.763 1.00 . A A . 7 LYS HG2 1 1 7 3360 1 1 8 LYS HG3 H 4.117 -2.071 -5.609 1.00 . A A . 7 LYS HG3 1 1 7 3361 1 1 8 LYS HZ1 H 3.144 0.678 -6.626 1.00 . A A . 7 LYS HZ1 1 1 7 3362 1 1 8 LYS HZ2 H 2.012 0.763 -5.369 1.00 . A A . 7 LYS HZ2 1 1 7 3363 1 1 8 LYS HZ3 H 2.636 -0.736 -5.850 1.00 . A A . 7 LYS HZ3 1 1 7 3364 1 1 8 LYS N N 3.670 -4.353 -3.873 1.00 . A A . 7 LYS N 1 1 7 3365 1 1 8 LYS NZ N 2.866 0.268 -5.712 1.00 . A A . 7 LYS NZ 1 1 7 3366 1 1 8 LYS O O 4.910 -4.685 -1.436 1.00 . A A . 7 LYS O 1 1 7 3367 1 1 9 PRO C C 7.540 -4.384 0.017 1.00 . A A . 8 PRO C 1 1 7 3368 1 1 9 PRO CA C 7.649 -5.266 -1.223 1.00 . A A . 8 PRO CA 1 1 7 3369 1 1 9 PRO CB C 9.107 -5.372 -1.680 1.00 . A A . 8 PRO CB 1 1 7 3370 1 1 9 PRO CD C 7.882 -4.447 -3.506 1.00 . A A . 8 PRO CD 1 1 7 3371 1 1 9 PRO CG C 9.228 -4.442 -2.838 1.00 . A A . 8 PRO CG 1 1 7 3372 1 1 9 PRO HA H 7.275 -6.251 -0.989 1.00 . A A . 8 PRO HA 1 1 7 3373 1 1 9 PRO HB2 H 9.766 -5.076 -0.873 1.00 . A A . 8 PRO HB2 1 1 7 3374 1 1 9 PRO HB3 H 9.324 -6.381 -1.988 1.00 . A A . 8 PRO HB3 1 1 7 3375 1 1 9 PRO HD2 H 7.681 -3.489 -3.966 1.00 . A A . 8 PRO HD2 1 1 7 3376 1 1 9 PRO HD3 H 7.822 -5.240 -4.240 1.00 . A A . 8 PRO HD3 1 1 7 3377 1 1 9 PRO HG2 H 9.472 -3.448 -2.484 1.00 . A A . 8 PRO HG2 1 1 7 3378 1 1 9 PRO HG3 H 9.985 -4.795 -3.523 1.00 . A A . 8 PRO HG3 1 1 7 3379 1 1 9 PRO N N 6.957 -4.700 -2.387 1.00 . A A . 8 PRO N 1 1 7 3380 1 1 9 PRO O O 7.678 -3.161 -0.058 1.00 . A A . 8 PRO O 1 1 7 3381 1 1 10 GLY C C 8.304 -4.496 3.341 1.00 . A A . 9 GLY C 1 1 7 3382 1 1 10 GLY CA C 7.136 -4.295 2.397 1.00 . A A . 9 GLY CA 1 1 7 3383 1 1 10 GLY H H 7.224 -5.997 1.143 1.00 . A A . 9 GLY H 1 1 7 3384 1 1 10 GLY HA2 H 7.043 -3.241 2.177 1.00 . A A . 9 GLY HA2 1 1 7 3385 1 1 10 GLY HA3 H 6.233 -4.632 2.882 1.00 . A A . 9 GLY HA3 1 1 7 3386 1 1 10 GLY N N 7.296 -5.019 1.153 1.00 . A A . 9 GLY N 1 1 7 3387 1 1 10 GLY O O 8.521 -3.696 4.251 1.00 . A A . 9 GLY O 1 1 7 3388 1 1 11 ASP C C 11.461 -6.009 3.088 1.00 . A A . 10 ASP C 1 1 7 3389 1 1 11 ASP CA C 10.221 -5.861 3.955 1.00 . A A . 10 ASP CA 1 1 7 3390 1 1 11 ASP CB C 10.012 -7.137 4.777 1.00 . A A . 10 ASP CB 1 1 7 3391 1 1 11 ASP CG C 8.952 -6.984 5.850 1.00 . A A . 10 ASP CG 1 1 7 3392 1 1 11 ASP H H 8.811 -6.184 2.405 1.00 . A A . 10 ASP H 1 1 7 3393 1 1 11 ASP HA H 10.365 -5.031 4.627 1.00 . A A . 10 ASP HA 1 1 7 3394 1 1 11 ASP HB2 H 9.711 -7.936 4.116 1.00 . A A . 10 ASP HB2 1 1 7 3395 1 1 11 ASP HB3 H 10.944 -7.405 5.253 1.00 . A A . 10 ASP HB3 1 1 7 3396 1 1 11 ASP N N 9.051 -5.570 3.131 1.00 . A A . 10 ASP N 1 1 7 3397 1 1 11 ASP O O 12.555 -5.579 3.462 1.00 . A A . 10 ASP O 1 1 7 3398 1 1 11 ASP OD1 O 9.274 -6.471 6.945 1.00 . A A . 10 ASP OD1 1 1 7 3399 1 1 11 ASP OD2 O 7.789 -7.366 5.603 1.00 . A A . 10 ASP OD2 1 1 7 3400 1 1 12 ASN C C 12.481 -5.646 0.027 1.00 . A A . 11 ASN C 1 1 7 3401 1 1 12 ASN CA C 12.372 -6.827 0.986 1.00 . A A . 11 ASN CA 1 1 7 3402 1 1 12 ASN CB C 12.150 -8.122 0.199 1.00 . A A . 11 ASN CB 1 1 7 3403 1 1 12 ASN CG C 13.311 -8.455 -0.723 1.00 . A A . 11 ASN CG 1 1 7 3404 1 1 12 ASN H H 10.382 -6.913 1.682 1.00 . A A . 11 ASN H 1 1 7 3405 1 1 12 ASN HA H 13.287 -6.908 1.551 1.00 . A A . 11 ASN HA 1 1 7 3406 1 1 12 ASN HB2 H 12.024 -8.939 0.893 1.00 . A A . 11 ASN HB2 1 1 7 3407 1 1 12 ASN HB3 H 11.256 -8.022 -0.398 1.00 . A A . 11 ASN HB3 1 1 7 3408 1 1 12 ASN HD21 H 12.061 -9.159 -2.097 1.00 . A A . 11 ASN HD21 1 1 7 3409 1 1 12 ASN HD22 H 13.742 -9.215 -2.507 1.00 . A A . 11 ASN HD22 1 1 7 3410 1 1 12 ASN N N 11.280 -6.610 1.923 1.00 . A A . 11 ASN N 1 1 7 3411 1 1 12 ASN ND2 N 13.008 -9.000 -1.891 1.00 . A A . 11 ASN ND2 1 1 7 3412 1 1 12 ASN O O 12.267 -5.782 -1.179 1.00 . A A . 11 ASN O 1 1 7 3413 1 1 12 ASN OD1 O 14.470 -8.204 -0.395 1.00 . A A . 11 ASN OD1 1 1 7 3414 1 1 13 ALA C C 13.826 -2.269 0.392 1.00 . A A . 12 ALA C 1 1 7 3415 1 1 13 ALA CA C 12.877 -3.274 -0.233 1.00 . A A . 12 ALA CA 1 1 7 3416 1 1 13 ALA CB C 11.500 -2.656 -0.410 1.00 . A A . 12 ALA CB 1 1 7 3417 1 1 13 ALA H H 12.947 -4.427 1.537 1.00 . A A . 12 ALA H 1 1 7 3418 1 1 13 ALA HA H 13.250 -3.548 -1.208 1.00 . A A . 12 ALA HA 1 1 7 3419 1 1 13 ALA HB1 H 11.168 -2.244 0.530 1.00 . A A . 12 ALA HB1 1 1 7 3420 1 1 13 ALA HB2 H 10.806 -3.417 -0.732 1.00 . A A . 12 ALA HB2 1 1 7 3421 1 1 13 ALA HB3 H 11.547 -1.876 -1.153 1.00 . A A . 12 ALA HB3 1 1 7 3422 1 1 13 ALA N N 12.784 -4.480 0.570 1.00 . A A . 12 ALA N 1 1 7 3423 1 1 13 ALA O O 14.204 -2.397 1.558 1.00 . A A . 12 ALA O 1 1 7 3424 1 1 14 THR C C 14.237 0.814 0.849 1.00 . A A . 13 THR C 1 1 7 3425 1 1 14 THR CA C 15.065 -0.205 0.080 1.00 . A A . 13 THR CA 1 1 7 3426 1 1 14 THR CB C 15.767 0.494 -1.096 1.00 . A A . 13 THR CB 1 1 7 3427 1 1 14 THR CG2 C 16.679 -0.476 -1.820 1.00 . A A . 13 THR CG2 1 1 7 3428 1 1 14 THR H H 13.932 -1.282 -1.333 1.00 . A A . 13 THR H 1 1 7 3429 1 1 14 THR HA H 15.819 -0.619 0.733 1.00 . A A . 13 THR HA 1 1 7 3430 1 1 14 THR HB H 16.363 1.307 -0.713 1.00 . A A . 13 THR HB 1 1 7 3431 1 1 14 THR HG1 H 14.600 0.355 -2.683 1.00 . A A . 13 THR HG1 1 1 7 3432 1 1 14 THR HG21 H 17.163 0.029 -2.642 1.00 . A A . 13 THR HG21 1 1 7 3433 1 1 14 THR HG22 H 16.093 -1.304 -2.195 1.00 . A A . 13 THR HG22 1 1 7 3434 1 1 14 THR HG23 H 17.424 -0.846 -1.132 1.00 . A A . 13 THR HG23 1 1 7 3435 1 1 14 THR N N 14.220 -1.285 -0.396 1.00 . A A . 13 THR N 1 1 7 3436 1 1 14 THR O O 13.025 0.900 0.654 1.00 . A A . 13 THR O 1 1 7 3437 1 1 14 THR OG1 O 14.794 1.016 -2.010 1.00 . A A . 13 THR OG1 1 1 7 3438 1 1 15 PRO C C 13.532 3.664 1.539 1.00 . A A . 14 PRO C 1 1 7 3439 1 1 15 PRO CA C 14.186 2.656 2.479 1.00 . A A . 14 PRO CA 1 1 7 3440 1 1 15 PRO CB C 15.309 3.312 3.297 1.00 . A A . 14 PRO CB 1 1 7 3441 1 1 15 PRO CD C 16.299 1.522 2.075 1.00 . A A . 14 PRO CD 1 1 7 3442 1 1 15 PRO CG C 16.577 2.879 2.654 1.00 . A A . 14 PRO CG 1 1 7 3443 1 1 15 PRO HA H 13.439 2.249 3.143 1.00 . A A . 14 PRO HA 1 1 7 3444 1 1 15 PRO HB2 H 15.210 4.387 3.261 1.00 . A A . 14 PRO HB2 1 1 7 3445 1 1 15 PRO HB3 H 15.281 2.967 4.317 1.00 . A A . 14 PRO HB3 1 1 7 3446 1 1 15 PRO HD2 H 16.902 1.351 1.197 1.00 . A A . 14 PRO HD2 1 1 7 3447 1 1 15 PRO HD3 H 16.473 0.748 2.808 1.00 . A A . 14 PRO HD3 1 1 7 3448 1 1 15 PRO HG2 H 16.847 3.586 1.875 1.00 . A A . 14 PRO HG2 1 1 7 3449 1 1 15 PRO HG3 H 17.360 2.812 3.397 1.00 . A A . 14 PRO HG3 1 1 7 3450 1 1 15 PRO N N 14.872 1.599 1.731 1.00 . A A . 14 PRO N 1 1 7 3451 1 1 15 PRO O O 12.472 4.219 1.833 1.00 . A A . 14 PRO O 1 1 7 3452 1 1 16 GLU C C 12.334 4.211 -1.191 1.00 . A A . 15 GLU C 1 1 7 3453 1 1 16 GLU CA C 13.651 4.750 -0.639 1.00 . A A . 15 GLU CA 1 1 7 3454 1 1 16 GLU CB C 14.680 4.877 -1.764 1.00 . A A . 15 GLU CB 1 1 7 3455 1 1 16 GLU CD C 15.167 5.681 -4.099 1.00 . A A . 15 GLU CD 1 1 7 3456 1 1 16 GLU CG C 14.237 5.772 -2.910 1.00 . A A . 15 GLU CG 1 1 7 3457 1 1 16 GLU H H 15.010 3.394 0.231 1.00 . A A . 15 GLU H 1 1 7 3458 1 1 16 GLU HA H 13.483 5.719 -0.199 1.00 . A A . 15 GLU HA 1 1 7 3459 1 1 16 GLU HB2 H 15.594 5.283 -1.351 1.00 . A A . 15 GLU HB2 1 1 7 3460 1 1 16 GLU HB3 H 14.885 3.892 -2.160 1.00 . A A . 15 GLU HB3 1 1 7 3461 1 1 16 GLU HG2 H 13.244 5.478 -3.224 1.00 . A A . 15 GLU HG2 1 1 7 3462 1 1 16 GLU HG3 H 14.216 6.794 -2.563 1.00 . A A . 15 GLU HG3 1 1 7 3463 1 1 16 GLU N N 14.167 3.866 0.392 1.00 . A A . 15 GLU N 1 1 7 3464 1 1 16 GLU O O 11.363 4.952 -1.366 1.00 . A A . 15 GLU O 1 1 7 3465 1 1 16 GLU OE1 O 14.923 4.841 -4.991 1.00 . A A . 15 GLU OE1 1 1 7 3466 1 1 16 GLU OE2 O 16.144 6.455 -4.153 1.00 . A A . 15 GLU OE2 1 1 7 3467 1 1 17 LYS C C 10.055 2.063 -0.989 1.00 . A A . 16 LYS C 1 1 7 3468 1 1 17 LYS CA C 11.146 2.262 -2.032 1.00 . A A . 16 LYS CA 1 1 7 3469 1 1 17 LYS CB C 11.546 0.915 -2.640 1.00 . A A . 16 LYS CB 1 1 7 3470 1 1 17 LYS CD C 10.126 1.109 -4.695 1.00 . A A . 16 LYS CD 1 1 7 3471 1 1 17 LYS CE C 9.130 0.420 -5.611 1.00 . A A . 16 LYS CE 1 1 7 3472 1 1 17 LYS CG C 10.457 0.264 -3.478 1.00 . A A . 16 LYS CG 1 1 7 3473 1 1 17 LYS H H 13.091 2.366 -1.220 1.00 . A A . 16 LYS H 1 1 7 3474 1 1 17 LYS HA H 10.769 2.904 -2.811 1.00 . A A . 16 LYS HA 1 1 7 3475 1 1 17 LYS HB2 H 12.414 1.060 -3.270 1.00 . A A . 16 LYS HB2 1 1 7 3476 1 1 17 LYS HB3 H 11.805 0.240 -1.838 1.00 . A A . 16 LYS HB3 1 1 7 3477 1 1 17 LYS HD2 H 9.703 2.046 -4.365 1.00 . A A . 16 LYS HD2 1 1 7 3478 1 1 17 LYS HD3 H 11.036 1.299 -5.244 1.00 . A A . 16 LYS HD3 1 1 7 3479 1 1 17 LYS HE2 H 9.544 -0.527 -5.924 1.00 . A A . 16 LYS HE2 1 1 7 3480 1 1 17 LYS HE3 H 8.214 0.250 -5.065 1.00 . A A . 16 LYS HE3 1 1 7 3481 1 1 17 LYS HG2 H 10.797 -0.706 -3.806 1.00 . A A . 16 LYS HG2 1 1 7 3482 1 1 17 LYS HG3 H 9.568 0.154 -2.874 1.00 . A A . 16 LYS HG3 1 1 7 3483 1 1 17 LYS HZ1 H 8.191 0.726 -7.449 1.00 . A A . 16 LYS HZ1 1 1 7 3484 1 1 17 LYS HZ2 H 9.712 1.452 -7.329 1.00 . A A . 16 LYS HZ2 1 1 7 3485 1 1 17 LYS HZ3 H 8.385 2.137 -6.536 1.00 . A A . 16 LYS HZ3 1 1 7 3486 1 1 17 LYS N N 12.307 2.910 -1.442 1.00 . A A . 16 LYS N 1 1 7 3487 1 1 17 LYS NZ N 8.834 1.240 -6.815 1.00 . A A . 16 LYS NZ 1 1 7 3488 1 1 17 LYS O O 8.869 2.210 -1.284 1.00 . A A . 16 LYS O 1 1 7 3489 1 1 18 LEU C C 8.724 2.797 1.605 1.00 . A A . 17 LEU C 1 1 7 3490 1 1 18 LEU CA C 9.525 1.536 1.326 1.00 . A A . 17 LEU CA 1 1 7 3491 1 1 18 LEU CB C 10.252 1.090 2.591 1.00 . A A . 17 LEU CB 1 1 7 3492 1 1 18 LEU CD1 C 11.482 -0.666 3.870 1.00 . A A . 17 LEU CD1 1 1 7 3493 1 1 18 LEU CD2 C 9.654 -1.323 2.307 1.00 . A A . 17 LEU CD2 1 1 7 3494 1 1 18 LEU CG C 10.783 -0.341 2.565 1.00 . A A . 17 LEU CG 1 1 7 3495 1 1 18 LEU H H 11.426 1.617 0.402 1.00 . A A . 17 LEU H 1 1 7 3496 1 1 18 LEU HA H 8.846 0.757 1.025 1.00 . A A . 17 LEU HA 1 1 7 3497 1 1 18 LEU HB2 H 11.085 1.754 2.751 1.00 . A A . 17 LEU HB2 1 1 7 3498 1 1 18 LEU HB3 H 9.573 1.185 3.424 1.00 . A A . 17 LEU HB3 1 1 7 3499 1 1 18 LEU HD11 H 10.781 -0.566 4.686 1.00 . A A . 17 LEU HD11 1 1 7 3500 1 1 18 LEU HD12 H 12.305 0.018 4.016 1.00 . A A . 17 LEU HD12 1 1 7 3501 1 1 18 LEU HD13 H 11.855 -1.679 3.836 1.00 . A A . 17 LEU HD13 1 1 7 3502 1 1 18 LEU HD21 H 10.025 -2.332 2.408 1.00 . A A . 17 LEU HD21 1 1 7 3503 1 1 18 LEU HD22 H 9.276 -1.180 1.306 1.00 . A A . 17 LEU HD22 1 1 7 3504 1 1 18 LEU HD23 H 8.861 -1.157 3.020 1.00 . A A . 17 LEU HD23 1 1 7 3505 1 1 18 LEU HG H 11.504 -0.436 1.766 1.00 . A A . 17 LEU HG 1 1 7 3506 1 1 18 LEU N N 10.464 1.739 0.234 1.00 . A A . 17 LEU N 1 1 7 3507 1 1 18 LEU O O 7.566 2.728 2.009 1.00 . A A . 17 LEU O 1 1 7 3508 1 1 19 ALA C C 7.497 5.332 0.563 1.00 . A A . 18 ALA C 1 1 7 3509 1 1 19 ALA CA C 8.655 5.218 1.547 1.00 . A A . 18 ALA CA 1 1 7 3510 1 1 19 ALA CB C 9.628 6.364 1.359 1.00 . A A . 18 ALA CB 1 1 7 3511 1 1 19 ALA H H 10.282 3.946 1.113 1.00 . A A . 18 ALA H 1 1 7 3512 1 1 19 ALA HA H 8.269 5.262 2.553 1.00 . A A . 18 ALA HA 1 1 7 3513 1 1 19 ALA HB1 H 9.119 7.299 1.535 1.00 . A A . 18 ALA HB1 1 1 7 3514 1 1 19 ALA HB2 H 10.012 6.344 0.350 1.00 . A A . 18 ALA HB2 1 1 7 3515 1 1 19 ALA HB3 H 10.445 6.260 2.058 1.00 . A A . 18 ALA HB3 1 1 7 3516 1 1 19 ALA N N 9.340 3.949 1.384 1.00 . A A . 18 ALA N 1 1 7 3517 1 1 19 ALA O O 6.420 5.826 0.905 1.00 . A A . 18 ALA O 1 1 7 3518 1 1 20 LYS C C 5.671 3.753 -1.389 1.00 . A A . 19 LYS C 1 1 7 3519 1 1 20 LYS CA C 6.677 4.868 -1.670 1.00 . A A . 19 LYS CA 1 1 7 3520 1 1 20 LYS CB C 7.278 4.711 -3.069 1.00 . A A . 19 LYS CB 1 1 7 3521 1 1 20 LYS CD C 5.647 6.300 -4.147 1.00 . A A . 19 LYS CD 1 1 7 3522 1 1 20 LYS CE C 4.644 6.509 -5.272 1.00 . A A . 19 LYS CE 1 1 7 3523 1 1 20 LYS CG C 6.274 4.914 -4.197 1.00 . A A . 19 LYS CG 1 1 7 3524 1 1 20 LYS H H 8.606 4.504 -0.880 1.00 . A A . 19 LYS H 1 1 7 3525 1 1 20 LYS HA H 6.167 5.816 -1.609 1.00 . A A . 19 LYS HA 1 1 7 3526 1 1 20 LYS HB2 H 8.071 5.433 -3.187 1.00 . A A . 19 LYS HB2 1 1 7 3527 1 1 20 LYS HB3 H 7.693 3.718 -3.159 1.00 . A A . 19 LYS HB3 1 1 7 3528 1 1 20 LYS HD2 H 5.139 6.421 -3.203 1.00 . A A . 19 LYS HD2 1 1 7 3529 1 1 20 LYS HD3 H 6.429 7.040 -4.233 1.00 . A A . 19 LYS HD3 1 1 7 3530 1 1 20 LYS HE2 H 3.901 5.727 -5.222 1.00 . A A . 19 LYS HE2 1 1 7 3531 1 1 20 LYS HE3 H 4.165 7.466 -5.136 1.00 . A A . 19 LYS HE3 1 1 7 3532 1 1 20 LYS HG2 H 6.780 4.793 -5.143 1.00 . A A . 19 LYS HG2 1 1 7 3533 1 1 20 LYS HG3 H 5.493 4.172 -4.107 1.00 . A A . 19 LYS HG3 1 1 7 3534 1 1 20 LYS HZ1 H 5.996 7.232 -6.688 1.00 . A A . 19 LYS HZ1 1 1 7 3535 1 1 20 LYS HZ2 H 4.575 6.613 -7.356 1.00 . A A . 19 LYS HZ2 1 1 7 3536 1 1 20 LYS HZ3 H 5.758 5.561 -6.767 1.00 . A A . 19 LYS HZ3 1 1 7 3537 1 1 20 LYS N N 7.719 4.862 -0.657 1.00 . A A . 19 LYS N 1 1 7 3538 1 1 20 LYS NZ N 5.288 6.475 -6.613 1.00 . A A . 19 LYS NZ 1 1 7 3539 1 1 20 LYS O O 4.487 3.874 -1.699 1.00 . A A . 19 LYS O 1 1 7 3540 1 1 21 TYR C C 4.302 2.103 0.693 1.00 . A A . 20 TYR C 1 1 7 3541 1 1 21 TYR CA C 5.283 1.588 -0.351 1.00 . A A . 20 TYR CA 1 1 7 3542 1 1 21 TYR CB C 6.108 0.434 0.222 1.00 . A A . 20 TYR CB 1 1 7 3543 1 1 21 TYR CD1 C 4.621 -1.604 0.022 1.00 . A A . 20 TYR CD1 1 1 7 3544 1 1 21 TYR CD2 C 5.146 -0.806 2.207 1.00 . A A . 20 TYR CD2 1 1 7 3545 1 1 21 TYR CE1 C 3.863 -2.618 0.574 1.00 . A A . 20 TYR CE1 1 1 7 3546 1 1 21 TYR CE2 C 4.389 -1.819 2.763 1.00 . A A . 20 TYR CE2 1 1 7 3547 1 1 21 TYR CG C 5.276 -0.680 0.827 1.00 . A A . 20 TYR CG 1 1 7 3548 1 1 21 TYR CZ C 3.749 -2.721 1.943 1.00 . A A . 20 TYR CZ 1 1 7 3549 1 1 21 TYR H H 7.121 2.593 -0.647 1.00 . A A . 20 TYR H 1 1 7 3550 1 1 21 TYR HA H 4.729 1.237 -1.208 1.00 . A A . 20 TYR HA 1 1 7 3551 1 1 21 TYR HB2 H 6.710 0.008 -0.567 1.00 . A A . 20 TYR HB2 1 1 7 3552 1 1 21 TYR HB3 H 6.755 0.820 0.995 1.00 . A A . 20 TYR HB3 1 1 7 3553 1 1 21 TYR HD1 H 4.711 -1.523 -1.052 1.00 . A A . 20 TYR HD1 1 1 7 3554 1 1 21 TYR HD2 H 5.648 -0.097 2.848 1.00 . A A . 20 TYR HD2 1 1 7 3555 1 1 21 TYR HE1 H 3.364 -3.327 -0.069 1.00 . A A . 20 TYR HE1 1 1 7 3556 1 1 21 TYR HE2 H 4.299 -1.899 3.837 1.00 . A A . 20 TYR HE2 1 1 7 3557 1 1 21 TYR HH H 3.165 -4.553 2.005 1.00 . A A . 20 TYR HH 1 1 7 3558 1 1 21 TYR N N 6.152 2.671 -0.790 1.00 . A A . 20 TYR N 1 1 7 3559 1 1 21 TYR O O 3.125 1.757 0.675 1.00 . A A . 20 TYR O 1 1 7 3560 1 1 21 TYR OH O 2.995 -3.735 2.490 1.00 . A A . 20 TYR OH 1 1 7 3561 1 1 22 GLN C C 2.891 4.436 1.953 1.00 . A A . 21 GLN C 1 1 7 3562 1 1 22 GLN CA C 3.957 3.566 2.607 1.00 . A A . 21 GLN CA 1 1 7 3563 1 1 22 GLN CB C 4.809 4.404 3.560 1.00 . A A . 21 GLN CB 1 1 7 3564 1 1 22 GLN CD C 6.718 4.445 5.212 1.00 . A A . 21 GLN CD 1 1 7 3565 1 1 22 GLN CG C 5.784 3.581 4.387 1.00 . A A . 21 GLN CG 1 1 7 3566 1 1 22 GLN H H 5.761 3.146 1.580 1.00 . A A . 21 GLN H 1 1 7 3567 1 1 22 GLN HA H 3.470 2.781 3.164 1.00 . A A . 21 GLN HA 1 1 7 3568 1 1 22 GLN HB2 H 5.377 5.120 2.982 1.00 . A A . 21 GLN HB2 1 1 7 3569 1 1 22 GLN HB3 H 4.157 4.937 4.234 1.00 . A A . 21 GLN HB3 1 1 7 3570 1 1 22 GLN HE21 H 8.152 3.076 5.088 1.00 . A A . 21 GLN HE21 1 1 7 3571 1 1 22 GLN HE22 H 8.549 4.502 5.981 1.00 . A A . 21 GLN HE22 1 1 7 3572 1 1 22 GLN HG2 H 5.223 2.945 5.056 1.00 . A A . 21 GLN HG2 1 1 7 3573 1 1 22 GLN HG3 H 6.375 2.970 3.720 1.00 . A A . 21 GLN HG3 1 1 7 3574 1 1 22 GLN N N 4.797 2.945 1.593 1.00 . A A . 21 GLN N 1 1 7 3575 1 1 22 GLN NE2 N 7.925 3.959 5.450 1.00 . A A . 21 GLN NE2 1 1 7 3576 1 1 22 GLN O O 1.760 4.520 2.431 1.00 . A A . 21 GLN O 1 1 7 3577 1 1 22 GLN OE1 O 6.357 5.547 5.629 1.00 . A A . 21 GLN OE1 1 1 7 3578 1 1 23 ALA C C 1.262 5.051 -0.571 1.00 . A A . 22 ALA C 1 1 7 3579 1 1 23 ALA CA C 2.331 5.905 0.100 1.00 . A A . 22 ALA CA 1 1 7 3580 1 1 23 ALA CB C 3.085 6.716 -0.935 1.00 . A A . 22 ALA CB 1 1 7 3581 1 1 23 ALA H H 4.179 4.981 0.531 1.00 . A A . 22 ALA H 1 1 7 3582 1 1 23 ALA HA H 1.860 6.586 0.790 1.00 . A A . 22 ALA HA 1 1 7 3583 1 1 23 ALA HB1 H 3.616 6.047 -1.597 1.00 . A A . 22 ALA HB1 1 1 7 3584 1 1 23 ALA HB2 H 3.791 7.364 -0.440 1.00 . A A . 22 ALA HB2 1 1 7 3585 1 1 23 ALA HB3 H 2.388 7.308 -1.506 1.00 . A A . 22 ALA HB3 1 1 7 3586 1 1 23 ALA N N 3.257 5.073 0.850 1.00 . A A . 22 ALA N 1 1 7 3587 1 1 23 ALA O O 0.082 5.398 -0.571 1.00 . A A . 22 ALA O 1 1 7 3588 1 1 24 ASP C C -0.115 2.328 -0.774 1.00 . A A . 23 ASP C 1 1 7 3589 1 1 24 ASP CA C 0.782 3.007 -1.803 1.00 . A A . 23 ASP CA 1 1 7 3590 1 1 24 ASP CB C 1.581 1.962 -2.590 1.00 . A A . 23 ASP CB 1 1 7 3591 1 1 24 ASP CG C 0.729 1.157 -3.551 1.00 . A A . 23 ASP CG 1 1 7 3592 1 1 24 ASP H H 2.649 3.717 -1.094 1.00 . A A . 23 ASP H 1 1 7 3593 1 1 24 ASP HA H 0.168 3.577 -2.485 1.00 . A A . 23 ASP HA 1 1 7 3594 1 1 24 ASP HB2 H 2.346 2.465 -3.165 1.00 . A A . 23 ASP HB2 1 1 7 3595 1 1 24 ASP HB3 H 2.048 1.280 -1.892 1.00 . A A . 23 ASP HB3 1 1 7 3596 1 1 24 ASP N N 1.690 3.930 -1.132 1.00 . A A . 23 ASP N 1 1 7 3597 1 1 24 ASP O O -1.300 2.093 -1.010 1.00 . A A . 23 ASP O 1 1 7 3598 1 1 24 ASP OD1 O 0.173 0.123 -3.123 1.00 . A A . 23 ASP OD1 1 1 7 3599 1 1 24 ASP OD2 O 0.568 1.571 -4.716 1.00 . A A . 23 ASP OD2 1 1 7 3600 1 1 25 LEU C C -1.307 2.501 1.986 1.00 . A A . 24 LEU C 1 1 7 3601 1 1 25 LEU CA C -0.272 1.482 1.506 1.00 . A A . 24 LEU CA 1 1 7 3602 1 1 25 LEU CB C 0.719 1.091 2.626 1.00 . A A . 24 LEU CB 1 1 7 3603 1 1 25 LEU CD1 C -0.440 1.393 4.835 1.00 . A A . 24 LEU CD1 1 1 7 3604 1 1 25 LEU CD2 C -0.909 -0.639 3.458 1.00 . A A . 24 LEU CD2 1 1 7 3605 1 1 25 LEU CG C 0.141 0.386 3.860 1.00 . A A . 24 LEU CG 1 1 7 3606 1 1 25 LEU H H 1.435 2.182 0.476 1.00 . A A . 24 LEU H 1 1 7 3607 1 1 25 LEU HA H -0.792 0.597 1.166 1.00 . A A . 24 LEU HA 1 1 7 3608 1 1 25 LEU HB2 H 1.470 0.442 2.199 1.00 . A A . 24 LEU HB2 1 1 7 3609 1 1 25 LEU HB3 H 1.207 1.993 2.960 1.00 . A A . 24 LEU HB3 1 1 7 3610 1 1 25 LEU HD11 H 0.338 2.068 5.160 1.00 . A A . 24 LEU HD11 1 1 7 3611 1 1 25 LEU HD12 H -0.848 0.875 5.688 1.00 . A A . 24 LEU HD12 1 1 7 3612 1 1 25 LEU HD13 H -1.221 1.955 4.345 1.00 . A A . 24 LEU HD13 1 1 7 3613 1 1 25 LEU HD21 H -1.313 -1.108 4.343 1.00 . A A . 24 LEU HD21 1 1 7 3614 1 1 25 LEU HD22 H -0.457 -1.390 2.826 1.00 . A A . 24 LEU HD22 1 1 7 3615 1 1 25 LEU HD23 H -1.703 -0.145 2.919 1.00 . A A . 24 LEU HD23 1 1 7 3616 1 1 25 LEU HG H 0.939 -0.139 4.367 1.00 . A A . 24 LEU HG 1 1 7 3617 1 1 25 LEU N N 0.468 2.031 0.380 1.00 . A A . 24 LEU N 1 1 7 3618 1 1 25 LEU O O -2.425 2.140 2.349 1.00 . A A . 24 LEU O 1 1 7 3619 1 1 26 ALA C C -3.026 4.871 1.313 1.00 . A A . 25 ALA C 1 1 7 3620 1 1 26 ALA CA C -1.857 4.852 2.291 1.00 . A A . 25 ALA CA 1 1 7 3621 1 1 26 ALA CB C -1.135 6.188 2.281 1.00 . A A . 25 ALA CB 1 1 7 3622 1 1 26 ALA H H -0.007 3.997 1.724 1.00 . A A . 25 ALA H 1 1 7 3623 1 1 26 ALA HA H -2.231 4.678 3.287 1.00 . A A . 25 ALA HA 1 1 7 3624 1 1 26 ALA HB1 H -1.814 6.967 2.593 1.00 . A A . 25 ALA HB1 1 1 7 3625 1 1 26 ALA HB2 H -0.782 6.396 1.281 1.00 . A A . 25 ALA HB2 1 1 7 3626 1 1 26 ALA HB3 H -0.297 6.147 2.958 1.00 . A A . 25 ALA HB3 1 1 7 3627 1 1 26 ALA N N -0.934 3.775 1.960 1.00 . A A . 25 ALA N 1 1 7 3628 1 1 26 ALA O O -4.175 5.073 1.705 1.00 . A A . 25 ALA O 1 1 7 3629 1 1 27 LYS C C -4.689 3.395 -0.678 1.00 . A A . 26 LYS C 1 1 7 3630 1 1 27 LYS CA C -3.734 4.541 -0.999 1.00 . A A . 26 LYS CA 1 1 7 3631 1 1 27 LYS CB C -3.060 4.337 -2.366 1.00 . A A . 26 LYS CB 1 1 7 3632 1 1 27 LYS CD C -4.379 2.731 -3.800 1.00 . A A . 26 LYS CD 1 1 7 3633 1 1 27 LYS CE C -5.299 2.586 -5.002 1.00 . A A . 26 LYS CE 1 1 7 3634 1 1 27 LYS CG C -4.022 4.187 -3.539 1.00 . A A . 26 LYS CG 1 1 7 3635 1 1 27 LYS H H -1.771 4.560 -0.209 1.00 . A A . 26 LYS H 1 1 7 3636 1 1 27 LYS HA H -4.291 5.466 -1.013 1.00 . A A . 26 LYS HA 1 1 7 3637 1 1 27 LYS HB2 H -2.419 5.181 -2.565 1.00 . A A . 26 LYS HB2 1 1 7 3638 1 1 27 LYS HB3 H -2.452 3.445 -2.319 1.00 . A A . 26 LYS HB3 1 1 7 3639 1 1 27 LYS HD2 H -3.472 2.177 -3.987 1.00 . A A . 26 LYS HD2 1 1 7 3640 1 1 27 LYS HD3 H -4.875 2.331 -2.929 1.00 . A A . 26 LYS HD3 1 1 7 3641 1 1 27 LYS HE2 H -4.827 3.047 -5.857 1.00 . A A . 26 LYS HE2 1 1 7 3642 1 1 27 LYS HE3 H -5.447 1.534 -5.198 1.00 . A A . 26 LYS HE3 1 1 7 3643 1 1 27 LYS HG2 H -4.928 4.732 -3.319 1.00 . A A . 26 LYS HG2 1 1 7 3644 1 1 27 LYS HG3 H -3.561 4.600 -4.425 1.00 . A A . 26 LYS HG3 1 1 7 3645 1 1 27 LYS HZ1 H -7.218 3.117 -5.622 1.00 . A A . 26 LYS HZ1 1 1 7 3646 1 1 27 LYS HZ2 H -6.502 4.240 -4.583 1.00 . A A . 26 LYS HZ2 1 1 7 3647 1 1 27 LYS HZ3 H -7.101 2.783 -3.970 1.00 . A A . 26 LYS HZ3 1 1 7 3648 1 1 27 LYS N N -2.716 4.648 0.041 1.00 . A A . 26 LYS N 1 1 7 3649 1 1 27 LYS NZ N -6.621 3.227 -4.778 1.00 . A A . 26 LYS NZ 1 1 7 3650 1 1 27 LYS O O -5.906 3.523 -0.830 1.00 . A A . 26 LYS O 1 1 7 3651 1 1 28 TYR C C -5.818 1.501 1.365 1.00 . A A . 27 TYR C 1 1 7 3652 1 1 28 TYR CA C -4.914 1.133 0.195 1.00 . A A . 27 TYR CA 1 1 7 3653 1 1 28 TYR CB C -3.994 -0.038 0.575 1.00 . A A . 27 TYR CB 1 1 7 3654 1 1 28 TYR CD1 C -5.367 -2.140 0.295 1.00 . A A . 27 TYR CD1 1 1 7 3655 1 1 28 TYR CD2 C -4.747 -1.492 2.503 1.00 . A A . 27 TYR CD2 1 1 7 3656 1 1 28 TYR CE1 C -6.024 -3.243 0.801 1.00 . A A . 27 TYR CE1 1 1 7 3657 1 1 28 TYR CE2 C -5.402 -2.594 3.015 1.00 . A A . 27 TYR CE2 1 1 7 3658 1 1 28 TYR CG C -4.719 -1.244 1.134 1.00 . A A . 27 TYR CG 1 1 7 3659 1 1 28 TYR CZ C -6.040 -3.466 2.161 1.00 . A A . 27 TYR CZ 1 1 7 3660 1 1 28 TYR H H -3.145 2.247 -0.139 1.00 . A A . 27 TYR H 1 1 7 3661 1 1 28 TYR HA H -5.532 0.840 -0.640 1.00 . A A . 27 TYR HA 1 1 7 3662 1 1 28 TYR HB2 H -3.452 -0.360 -0.301 1.00 . A A . 27 TYR HB2 1 1 7 3663 1 1 28 TYR HB3 H -3.288 0.299 1.318 1.00 . A A . 27 TYR HB3 1 1 7 3664 1 1 28 TYR HD1 H -5.355 -1.964 -0.771 1.00 . A A . 27 TYR HD1 1 1 7 3665 1 1 28 TYR HD2 H -4.248 -0.806 3.172 1.00 . A A . 27 TYR HD2 1 1 7 3666 1 1 28 TYR HE1 H -6.520 -3.930 0.130 1.00 . A A . 27 TYR HE1 1 1 7 3667 1 1 28 TYR HE2 H -5.415 -2.766 4.081 1.00 . A A . 27 TYR HE2 1 1 7 3668 1 1 28 TYR HH H -7.084 -4.350 3.519 1.00 . A A . 27 TYR HH 1 1 7 3669 1 1 28 TYR N N -4.124 2.286 -0.213 1.00 . A A . 27 TYR N 1 1 7 3670 1 1 28 TYR O O -7.004 1.184 1.363 1.00 . A A . 27 TYR O 1 1 7 3671 1 1 28 TYR OH O -6.692 -4.570 2.664 1.00 . A A . 27 TYR OH 1 1 7 3672 1 1 29 GLN C C -7.146 3.527 3.163 1.00 . A A . 28 GLN C 1 1 7 3673 1 1 29 GLN CA C -5.994 2.606 3.532 1.00 . A A . 28 GLN CA 1 1 7 3674 1 1 29 GLN CB C -5.092 3.340 4.525 1.00 . A A . 28 GLN CB 1 1 7 3675 1 1 29 GLN CD C -3.147 3.274 6.121 1.00 . A A . 28 GLN CD 1 1 7 3676 1 1 29 GLN CG C -3.970 2.498 5.112 1.00 . A A . 28 GLN CG 1 1 7 3677 1 1 29 GLN H H -4.303 2.434 2.272 1.00 . A A . 28 GLN H 1 1 7 3678 1 1 29 GLN HA H -6.391 1.718 4.001 1.00 . A A . 28 GLN HA 1 1 7 3679 1 1 29 GLN HB2 H -4.649 4.189 4.023 1.00 . A A . 28 GLN HB2 1 1 7 3680 1 1 29 GLN HB3 H -5.703 3.702 5.339 1.00 . A A . 28 GLN HB3 1 1 7 3681 1 1 29 GLN HE21 H -3.491 4.963 5.141 1.00 . A A . 28 GLN HE21 1 1 7 3682 1 1 29 GLN HE22 H -2.513 5.102 6.557 1.00 . A A . 28 GLN HE22 1 1 7 3683 1 1 29 GLN HG2 H -4.394 1.636 5.601 1.00 . A A . 28 GLN HG2 1 1 7 3684 1 1 29 GLN HG3 H -3.318 2.174 4.313 1.00 . A A . 28 GLN HG3 1 1 7 3685 1 1 29 GLN N N -5.251 2.194 2.347 1.00 . A A . 28 GLN N 1 1 7 3686 1 1 29 GLN NE2 N -3.040 4.576 5.918 1.00 . A A . 28 GLN NE2 1 1 7 3687 1 1 29 GLN O O -8.258 3.366 3.654 1.00 . A A . 28 GLN O 1 1 7 3688 1 1 29 GLN OE1 O -2.613 2.709 7.076 1.00 . A A . 28 GLN OE1 1 1 7 3689 1 1 30 LYS C C -9.057 4.845 1.249 1.00 . A A . 29 LYS C 1 1 7 3690 1 1 30 LYS CA C -7.853 5.494 1.922 1.00 . A A . 29 LYS CA 1 1 7 3691 1 1 30 LYS CB C -7.222 6.544 1.002 1.00 . A A . 29 LYS CB 1 1 7 3692 1 1 30 LYS CD C -7.445 8.780 -0.135 1.00 . A A . 29 LYS CD 1 1 7 3693 1 1 30 LYS CE C -6.867 8.269 -1.445 1.00 . A A . 29 LYS CE 1 1 7 3694 1 1 30 LYS CG C -8.163 7.681 0.635 1.00 . A A . 29 LYS CG 1 1 7 3695 1 1 30 LYS H H -5.969 4.535 1.901 1.00 . A A . 29 LYS H 1 1 7 3696 1 1 30 LYS HA H -8.185 5.978 2.825 1.00 . A A . 29 LYS HA 1 1 7 3697 1 1 30 LYS HB2 H -6.360 6.966 1.500 1.00 . A A . 29 LYS HB2 1 1 7 3698 1 1 30 LYS HB3 H -6.901 6.061 0.090 1.00 . A A . 29 LYS HB3 1 1 7 3699 1 1 30 LYS HD2 H -8.147 9.573 -0.349 1.00 . A A . 29 LYS HD2 1 1 7 3700 1 1 30 LYS HD3 H -6.642 9.166 0.476 1.00 . A A . 29 LYS HD3 1 1 7 3701 1 1 30 LYS HE2 H -6.167 7.475 -1.230 1.00 . A A . 29 LYS HE2 1 1 7 3702 1 1 30 LYS HE3 H -7.672 7.886 -2.052 1.00 . A A . 29 LYS HE3 1 1 7 3703 1 1 30 LYS HG2 H -8.961 7.291 0.021 1.00 . A A . 29 LYS HG2 1 1 7 3704 1 1 30 LYS HG3 H -8.576 8.098 1.541 1.00 . A A . 29 LYS HG3 1 1 7 3705 1 1 30 LYS HZ1 H -6.807 10.134 -2.381 1.00 . A A . 29 LYS HZ1 1 1 7 3706 1 1 30 LYS HZ2 H -5.820 8.968 -3.110 1.00 . A A . 29 LYS HZ2 1 1 7 3707 1 1 30 LYS HZ3 H -5.348 9.685 -1.654 1.00 . A A . 29 LYS HZ3 1 1 7 3708 1 1 30 LYS N N -6.867 4.493 2.297 1.00 . A A . 29 LYS N 1 1 7 3709 1 1 30 LYS NZ N -6.161 9.338 -2.198 1.00 . A A . 29 LYS NZ 1 1 7 3710 1 1 30 LYS O O -10.203 5.107 1.622 1.00 . A A . 29 LYS O 1 1 7 3711 1 1 31 ASP C C -10.554 2.300 0.506 1.00 . A A . 30 ASP C 1 1 7 3712 1 1 31 ASP CA C -9.859 3.285 -0.432 1.00 . A A . 30 ASP CA 1 1 7 3713 1 1 31 ASP CB C -9.314 2.559 -1.664 1.00 . A A . 30 ASP CB 1 1 7 3714 1 1 31 ASP CG C -10.399 1.850 -2.452 1.00 . A A . 30 ASP CG 1 1 7 3715 1 1 31 ASP H H -7.857 3.830 0.013 1.00 . A A . 30 ASP H 1 1 7 3716 1 1 31 ASP HA H -10.580 4.020 -0.753 1.00 . A A . 30 ASP HA 1 1 7 3717 1 1 31 ASP HB2 H -8.837 3.278 -2.316 1.00 . A A . 30 ASP HB2 1 1 7 3718 1 1 31 ASP HB3 H -8.585 1.824 -1.347 1.00 . A A . 30 ASP HB3 1 1 7 3719 1 1 31 ASP N N -8.792 3.993 0.268 1.00 . A A . 30 ASP N 1 1 7 3720 1 1 31 ASP O O -11.765 2.098 0.427 1.00 . A A . 30 ASP O 1 1 7 3721 1 1 31 ASP OD1 O -10.271 0.632 -2.699 1.00 . A A . 30 ASP OD1 1 1 7 3722 1 1 31 ASP OD2 O -11.401 2.502 -2.808 1.00 . A A . 30 ASP OD2 1 1 7 3723 1 1 32 LEU C C -11.258 1.497 3.346 1.00 . A A . 31 LEU C 1 1 7 3724 1 1 32 LEU CA C -10.304 0.777 2.401 1.00 . A A . 31 LEU CA 1 1 7 3725 1 1 32 LEU CB C -9.154 0.148 3.197 1.00 . A A . 31 LEU CB 1 1 7 3726 1 1 32 LEU CD1 C -10.162 -2.136 3.507 1.00 . A A . 31 LEU CD1 1 1 7 3727 1 1 32 LEU CD2 C -8.327 -1.349 5.008 1.00 . A A . 31 LEU CD2 1 1 7 3728 1 1 32 LEU CG C -9.546 -0.931 4.204 1.00 . A A . 31 LEU CG 1 1 7 3729 1 1 32 LEU H H -8.809 1.888 1.387 1.00 . A A . 31 LEU H 1 1 7 3730 1 1 32 LEU HA H -10.846 0.002 1.883 1.00 . A A . 31 LEU HA 1 1 7 3731 1 1 32 LEU HB2 H -8.453 -0.283 2.497 1.00 . A A . 31 LEU HB2 1 1 7 3732 1 1 32 LEU HB3 H -8.651 0.937 3.736 1.00 . A A . 31 LEU HB3 1 1 7 3733 1 1 32 LEU HD11 H -9.469 -2.522 2.774 1.00 . A A . 31 LEU HD11 1 1 7 3734 1 1 32 LEU HD12 H -11.078 -1.842 3.018 1.00 . A A . 31 LEU HD12 1 1 7 3735 1 1 32 LEU HD13 H -10.375 -2.903 4.237 1.00 . A A . 31 LEU HD13 1 1 7 3736 1 1 32 LEU HD21 H -7.571 -1.735 4.339 1.00 . A A . 31 LEU HD21 1 1 7 3737 1 1 32 LEU HD22 H -8.607 -2.113 5.718 1.00 . A A . 31 LEU HD22 1 1 7 3738 1 1 32 LEU HD23 H -7.935 -0.492 5.537 1.00 . A A . 31 LEU HD23 1 1 7 3739 1 1 32 LEU HG H -10.278 -0.530 4.889 1.00 . A A . 31 LEU HG 1 1 7 3740 1 1 32 LEU N N -9.775 1.703 1.401 1.00 . A A . 31 LEU N 1 1 7 3741 1 1 32 LEU O O -12.341 1.003 3.651 1.00 . A A . 31 LEU O 1 1 7 3742 1 1 33 ALA C C -12.901 3.975 3.959 1.00 . A A . 32 ALA C 1 1 7 3743 1 1 33 ALA CA C -11.650 3.496 4.681 1.00 . A A . 32 ALA CA 1 1 7 3744 1 1 33 ALA CB C -10.838 4.680 5.168 1.00 . A A . 32 ALA CB 1 1 7 3745 1 1 33 ALA H H -9.936 2.975 3.565 1.00 . A A . 32 ALA H 1 1 7 3746 1 1 33 ALA HA H -11.937 2.909 5.537 1.00 . A A . 32 ALA HA 1 1 7 3747 1 1 33 ALA HB1 H -9.944 4.326 5.654 1.00 . A A . 32 ALA HB1 1 1 7 3748 1 1 33 ALA HB2 H -11.425 5.257 5.866 1.00 . A A . 32 ALA HB2 1 1 7 3749 1 1 33 ALA HB3 H -10.570 5.300 4.324 1.00 . A A . 32 ALA HB3 1 1 7 3750 1 1 33 ALA N N -10.836 2.665 3.810 1.00 . A A . 32 ALA N 1 1 7 3751 1 1 33 ALA O O -13.976 4.082 4.551 1.00 . A A . 32 ALA O 1 1 7 3752 1 1 34 ASP C C -14.853 3.574 1.636 1.00 . A A . 33 ASP C 1 1 7 3753 1 1 34 ASP CA C -13.855 4.706 1.842 1.00 . A A . 33 ASP CA 1 1 7 3754 1 1 34 ASP CB C -13.332 5.205 0.491 1.00 . A A . 33 ASP CB 1 1 7 3755 1 1 34 ASP CG C -14.440 5.481 -0.507 1.00 . A A . 33 ASP CG 1 1 7 3756 1 1 34 ASP H H -11.851 4.181 2.279 1.00 . A A . 33 ASP H 1 1 7 3757 1 1 34 ASP HA H -14.346 5.517 2.352 1.00 . A A . 33 ASP HA 1 1 7 3758 1 1 34 ASP HB2 H -12.778 6.120 0.642 1.00 . A A . 33 ASP HB2 1 1 7 3759 1 1 34 ASP HB3 H -12.675 4.459 0.070 1.00 . A A . 33 ASP HB3 1 1 7 3760 1 1 34 ASP N N -12.744 4.264 2.677 1.00 . A A . 33 ASP N 1 1 7 3761 1 1 34 ASP O O -16.061 3.796 1.567 1.00 . A A . 33 ASP O 1 1 7 3762 1 1 34 ASP OD1 O -14.724 4.603 -1.353 1.00 . A A . 33 ASP OD1 1 1 7 3763 1 1 34 ASP OD2 O -15.051 6.570 -0.432 1.00 . A A . 33 ASP OD2 1 1 7 3764 1 1 35 TYR C C -15.732 0.747 2.739 1.00 . A A . 34 TYR C 1 1 7 3765 1 1 35 TYR CA C -15.171 1.184 1.389 1.00 . A A . 34 TYR CA 1 1 7 3766 1 1 35 TYR CB C -14.367 0.054 0.743 1.00 . A A . 34 TYR CB 1 1 7 3767 1 1 35 TYR CD1 C -16.339 -1.324 -0.022 1.00 . A A . 34 TYR CD1 1 1 7 3768 1 1 35 TYR CD2 C -14.590 -2.415 1.170 1.00 . A A . 34 TYR CD2 1 1 7 3769 1 1 35 TYR CE1 C -17.017 -2.520 -0.126 1.00 . A A . 34 TYR CE1 1 1 7 3770 1 1 35 TYR CE2 C -15.261 -3.612 1.069 1.00 . A A . 34 TYR CE2 1 1 7 3771 1 1 35 TYR CG C -15.114 -1.252 0.630 1.00 . A A . 34 TYR CG 1 1 7 3772 1 1 35 TYR CZ C -16.474 -3.662 0.421 1.00 . A A . 34 TYR CZ 1 1 7 3773 1 1 35 TYR H H -13.361 2.254 1.577 1.00 . A A . 34 TYR H 1 1 7 3774 1 1 35 TYR HA H -15.992 1.445 0.742 1.00 . A A . 34 TYR HA 1 1 7 3775 1 1 35 TYR HB2 H -14.078 0.353 -0.253 1.00 . A A . 34 TYR HB2 1 1 7 3776 1 1 35 TYR HB3 H -13.478 -0.123 1.329 1.00 . A A . 34 TYR HB3 1 1 7 3777 1 1 35 TYR HD1 H -16.761 -0.428 -0.449 1.00 . A A . 34 TYR HD1 1 1 7 3778 1 1 35 TYR HD2 H -13.639 -2.376 1.681 1.00 . A A . 34 TYR HD2 1 1 7 3779 1 1 35 TYR HE1 H -17.967 -2.556 -0.637 1.00 . A A . 34 TYR HE1 1 1 7 3780 1 1 35 TYR HE2 H -14.834 -4.505 1.497 1.00 . A A . 34 TYR HE2 1 1 7 3781 1 1 35 TYR HH H -17.539 -4.929 -0.560 1.00 . A A . 34 TYR HH 1 1 7 3782 1 1 35 TYR N N -14.336 2.361 1.543 1.00 . A A . 34 TYR N 1 1 7 3783 1 1 35 TYR O O -15.038 0.136 3.553 1.00 . A A . 34 TYR O 1 1 7 3784 1 1 35 TYR OH O -17.144 -4.859 0.317 1.00 . A A . 34 TYR OH 1 1 7 3785 1 1 36 NH2 HN1 H -17.480 1.569 2.286 1.00 . A A . 35 NH2 HN1 1 1 7 3786 1 1 36 NH2 HN2 H -17.384 0.808 3.835 1.00 . A A . 35 NH2 HN2 1 1 7 3787 1 1 36 NH2 N N -16.991 1.074 2.978 1.00 . A A . 35 NH2 N 1 1 8 3788 1 1 1 ACE C C -13.364 -2.023 -3.936 1.00 . A A . 0 ACE C 1 1 8 3789 1 1 1 ACE CH3 C -13.695 -0.806 -3.118 1.00 . A A . 0 ACE CH3 1 1 8 3790 1 1 1 ACE H1 H -12.784 -0.438 -2.660 1.00 . A A . 0 ACE H1 1 1 8 3791 1 1 1 ACE H2 H -14.399 -1.073 -2.353 1.00 . A A . 0 ACE H2 1 1 8 3792 1 1 1 ACE H3 H -14.135 -0.061 -3.771 1.00 . A A . 0 ACE H3 1 1 8 3793 1 1 1 ACE O O -12.974 -1.919 -5.098 1.00 . A A . 0 ACE O 1 1 8 3794 1 1 2 PRO C C -11.140 -3.611 -2.694 1.00 . A A . 1 PRO C 1 1 8 3795 1 1 2 PRO CA C -12.605 -3.669 -2.270 1.00 . A A . 1 PRO CA 1 1 8 3796 1 1 2 PRO CB C -13.036 -5.122 -2.023 1.00 . A A . 1 PRO CB 1 1 8 3797 1 1 2 PRO CD C -14.535 -4.201 -3.644 1.00 . A A . 1 PRO CD 1 1 8 3798 1 1 2 PRO CG C -13.921 -5.487 -3.167 1.00 . A A . 1 PRO CG 1 1 8 3799 1 1 2 PRO HA H -12.743 -3.089 -1.368 1.00 . A A . 1 PRO HA 1 1 8 3800 1 1 2 PRO HB2 H -12.164 -5.763 -1.992 1.00 . A A . 1 PRO HB2 1 1 8 3801 1 1 2 PRO HB3 H -13.583 -5.193 -1.096 1.00 . A A . 1 PRO HB3 1 1 8 3802 1 1 2 PRO HD2 H -14.733 -4.239 -4.705 1.00 . A A . 1 PRO HD2 1 1 8 3803 1 1 2 PRO HD3 H -15.443 -3.985 -3.096 1.00 . A A . 1 PRO HD3 1 1 8 3804 1 1 2 PRO HG2 H -13.330 -5.940 -3.953 1.00 . A A . 1 PRO HG2 1 1 8 3805 1 1 2 PRO HG3 H -14.692 -6.166 -2.835 1.00 . A A . 1 PRO HG3 1 1 8 3806 1 1 2 PRO N N -13.496 -3.213 -3.339 1.00 . A A . 1 PRO N 1 1 8 3807 1 1 2 PRO O O -10.730 -4.291 -3.637 1.00 . A A . 1 PRO O 1 1 8 3808 1 1 3 PRO C C -8.070 -3.789 -1.866 1.00 . A A . 2 PRO C 1 1 8 3809 1 1 3 PRO CA C -8.922 -2.619 -2.352 1.00 . A A . 2 PRO CA 1 1 8 3810 1 1 3 PRO CB C -8.541 -1.341 -1.611 1.00 . A A . 2 PRO CB 1 1 8 3811 1 1 3 PRO CD C -10.741 -1.934 -0.878 1.00 . A A . 2 PRO CD 1 1 8 3812 1 1 3 PRO CG C -9.446 -1.302 -0.432 1.00 . A A . 2 PRO CG 1 1 8 3813 1 1 3 PRO HA H -8.778 -2.481 -3.413 1.00 . A A . 2 PRO HA 1 1 8 3814 1 1 3 PRO HB2 H -7.503 -1.389 -1.306 1.00 . A A . 2 PRO HB2 1 1 8 3815 1 1 3 PRO HB3 H -8.712 -0.481 -2.240 1.00 . A A . 2 PRO HB3 1 1 8 3816 1 1 3 PRO HD2 H -11.166 -2.533 -0.086 1.00 . A A . 2 PRO HD2 1 1 8 3817 1 1 3 PRO HD3 H -11.442 -1.176 -1.194 1.00 . A A . 2 PRO HD3 1 1 8 3818 1 1 3 PRO HG2 H -9.007 -1.865 0.383 1.00 . A A . 2 PRO HG2 1 1 8 3819 1 1 3 PRO HG3 H -9.617 -0.279 -0.134 1.00 . A A . 2 PRO HG3 1 1 8 3820 1 1 3 PRO N N -10.336 -2.782 -2.019 1.00 . A A . 2 PRO N 1 1 8 3821 1 1 3 PRO O O -8.126 -4.168 -0.698 1.00 . A A . 2 PRO O 1 1 8 3822 1 1 4 THR C C -5.095 -4.830 -1.848 1.00 . A A . 3 THR C 1 1 8 3823 1 1 4 THR CA C -6.378 -5.429 -2.416 1.00 . A A . 3 THR CA 1 1 8 3824 1 1 4 THR CB C -6.057 -6.295 -3.648 1.00 . A A . 3 THR CB 1 1 8 3825 1 1 4 THR CG2 C -5.219 -7.507 -3.270 1.00 . A A . 3 THR CG2 1 1 8 3826 1 1 4 THR H H -7.334 -4.055 -3.698 1.00 . A A . 3 THR H 1 1 8 3827 1 1 4 THR HA H -6.844 -6.050 -1.666 1.00 . A A . 3 THR HA 1 1 8 3828 1 1 4 THR HB H -5.503 -5.697 -4.355 1.00 . A A . 3 THR HB 1 1 8 3829 1 1 4 THR HG1 H -7.941 -6.033 -4.184 1.00 . A A . 3 THR HG1 1 1 8 3830 1 1 4 THR HG21 H -5.760 -8.109 -2.555 1.00 . A A . 3 THR HG21 1 1 8 3831 1 1 4 THR HG22 H -4.289 -7.177 -2.832 1.00 . A A . 3 THR HG22 1 1 8 3832 1 1 4 THR HG23 H -5.013 -8.092 -4.154 1.00 . A A . 3 THR HG23 1 1 8 3833 1 1 4 THR N N -7.295 -4.363 -2.768 1.00 . A A . 3 THR N 1 1 8 3834 1 1 4 THR O O -4.679 -3.746 -2.264 1.00 . A A . 3 THR O 1 1 8 3835 1 1 4 THR OG1 O -7.279 -6.734 -4.260 1.00 . A A . 3 THR OG1 1 1 8 3836 1 1 5 LYS C C -2.175 -4.855 -1.337 1.00 . A A . 4 LYS C 1 1 8 3837 1 1 5 LYS CA C -3.254 -5.039 -0.274 1.00 . A A . 4 LYS CA 1 1 8 3838 1 1 5 LYS CB C -2.775 -6.023 0.793 1.00 . A A . 4 LYS CB 1 1 8 3839 1 1 5 LYS CD C -3.231 -7.163 2.981 1.00 . A A . 4 LYS CD 1 1 8 3840 1 1 5 LYS CE C -4.290 -7.488 4.021 1.00 . A A . 4 LYS CE 1 1 8 3841 1 1 5 LYS CG C -3.755 -6.194 1.939 1.00 . A A . 4 LYS CG 1 1 8 3842 1 1 5 LYS H H -4.886 -6.357 -0.573 1.00 . A A . 4 LYS H 1 1 8 3843 1 1 5 LYS HA H -3.458 -4.087 0.190 1.00 . A A . 4 LYS HA 1 1 8 3844 1 1 5 LYS HB2 H -2.626 -6.990 0.331 1.00 . A A . 4 LYS HB2 1 1 8 3845 1 1 5 LYS HB3 H -1.836 -5.672 1.197 1.00 . A A . 4 LYS HB3 1 1 8 3846 1 1 5 LYS HD2 H -2.930 -8.077 2.490 1.00 . A A . 4 LYS HD2 1 1 8 3847 1 1 5 LYS HD3 H -2.380 -6.717 3.472 1.00 . A A . 4 LYS HD3 1 1 8 3848 1 1 5 LYS HE2 H -3.847 -8.111 4.785 1.00 . A A . 4 LYS HE2 1 1 8 3849 1 1 5 LYS HE3 H -4.633 -6.566 4.466 1.00 . A A . 4 LYS HE3 1 1 8 3850 1 1 5 LYS HG2 H -3.916 -5.234 2.407 1.00 . A A . 4 LYS HG2 1 1 8 3851 1 1 5 LYS HG3 H -4.690 -6.566 1.548 1.00 . A A . 4 LYS HG3 1 1 8 3852 1 1 5 LYS HZ1 H -5.907 -7.612 2.704 1.00 . A A . 4 LYS HZ1 1 1 8 3853 1 1 5 LYS HZ2 H -6.150 -8.425 4.164 1.00 . A A . 4 LYS HZ2 1 1 8 3854 1 1 5 LYS HZ3 H -5.139 -9.092 2.986 1.00 . A A . 4 LYS HZ3 1 1 8 3855 1 1 5 LYS N N -4.492 -5.512 -0.882 1.00 . A A . 4 LYS N 1 1 8 3856 1 1 5 LYS NZ N -5.452 -8.204 3.427 1.00 . A A . 4 LYS NZ 1 1 8 3857 1 1 5 LYS O O -2.075 -5.659 -2.268 1.00 . A A . 4 LYS O 1 1 8 3858 1 1 6 PRO C C 0.636 -4.651 -2.396 1.00 . A A . 5 PRO C 1 1 8 3859 1 1 6 PRO CA C -0.324 -3.485 -2.208 1.00 . A A . 5 PRO CA 1 1 8 3860 1 1 6 PRO CB C 0.410 -2.274 -1.624 1.00 . A A . 5 PRO CB 1 1 8 3861 1 1 6 PRO CD C -1.424 -2.773 -0.159 1.00 . A A . 5 PRO CD 1 1 8 3862 1 1 6 PRO CG C -0.060 -2.141 -0.215 1.00 . A A . 5 PRO CG 1 1 8 3863 1 1 6 PRO HA H -0.747 -3.222 -3.166 1.00 . A A . 5 PRO HA 1 1 8 3864 1 1 6 PRO HB2 H 1.479 -2.446 -1.659 1.00 . A A . 5 PRO HB2 1 1 8 3865 1 1 6 PRO HB3 H 0.157 -1.386 -2.183 1.00 . A A . 5 PRO HB3 1 1 8 3866 1 1 6 PRO HD2 H -1.587 -3.240 0.804 1.00 . A A . 5 PRO HD2 1 1 8 3867 1 1 6 PRO HD3 H -2.192 -2.037 -0.360 1.00 . A A . 5 PRO HD3 1 1 8 3868 1 1 6 PRO HG2 H 0.624 -2.656 0.449 1.00 . A A . 5 PRO HG2 1 1 8 3869 1 1 6 PRO HG3 H -0.128 -1.095 0.048 1.00 . A A . 5 PRO HG3 1 1 8 3870 1 1 6 PRO N N -1.373 -3.781 -1.230 1.00 . A A . 5 PRO N 1 1 8 3871 1 1 6 PRO O O 1.202 -5.175 -1.432 1.00 . A A . 5 PRO O 1 1 8 3872 1 1 7 THR C C 3.121 -5.733 -4.011 1.00 . A A . 6 THR C 1 1 8 3873 1 1 7 THR CA C 1.660 -6.175 -3.979 1.00 . A A . 6 THR CA 1 1 8 3874 1 1 7 THR CB C 1.261 -6.771 -5.338 1.00 . A A . 6 THR CB 1 1 8 3875 1 1 7 THR CG2 C 1.884 -8.142 -5.535 1.00 . A A . 6 THR CG2 1 1 8 3876 1 1 7 THR H H 0.326 -4.593 -4.366 1.00 . A A . 6 THR H 1 1 8 3877 1 1 7 THR HA H 1.537 -6.933 -3.224 1.00 . A A . 6 THR HA 1 1 8 3878 1 1 7 THR HB H 1.608 -6.114 -6.118 1.00 . A A . 6 THR HB 1 1 8 3879 1 1 7 THR HG1 H -0.471 -7.530 -4.764 1.00 . A A . 6 THR HG1 1 1 8 3880 1 1 7 THR HG21 H 1.602 -8.530 -6.500 1.00 . A A . 6 THR HG21 1 1 8 3881 1 1 7 THR HG22 H 1.536 -8.810 -4.762 1.00 . A A . 6 THR HG22 1 1 8 3882 1 1 7 THR HG23 H 2.959 -8.058 -5.479 1.00 . A A . 6 THR HG23 1 1 8 3883 1 1 7 THR N N 0.801 -5.058 -3.644 1.00 . A A . 6 THR N 1 1 8 3884 1 1 7 THR O O 4.036 -6.559 -4.022 1.00 . A A . 6 THR O 1 1 8 3885 1 1 7 THR OG1 O -0.169 -6.881 -5.411 1.00 . A A . 6 THR OG1 1 1 8 3886 1 1 8 LYS C C 5.398 -4.297 -2.722 1.00 . A A . 7 LYS C 1 1 8 3887 1 1 8 LYS CA C 4.663 -3.843 -3.982 1.00 . A A . 7 LYS CA 1 1 8 3888 1 1 8 LYS CB C 4.596 -2.312 -4.027 1.00 . A A . 7 LYS CB 1 1 8 3889 1 1 8 LYS CD C 4.795 -2.162 -6.536 1.00 . A A . 7 LYS CD 1 1 8 3890 1 1 8 LYS CE C 4.214 -1.573 -7.815 1.00 . A A . 7 LYS CE 1 1 8 3891 1 1 8 LYS CG C 3.988 -1.757 -5.307 1.00 . A A . 7 LYS CG 1 1 8 3892 1 1 8 LYS H H 2.551 -3.824 -4.058 1.00 . A A . 7 LYS H 1 1 8 3893 1 1 8 LYS HA H 5.201 -4.198 -4.845 1.00 . A A . 7 LYS HA 1 1 8 3894 1 1 8 LYS HB2 H 4.001 -1.967 -3.196 1.00 . A A . 7 LYS HB2 1 1 8 3895 1 1 8 LYS HB3 H 5.598 -1.917 -3.928 1.00 . A A . 7 LYS HB3 1 1 8 3896 1 1 8 LYS HD2 H 5.810 -1.811 -6.420 1.00 . A A . 7 LYS HD2 1 1 8 3897 1 1 8 LYS HD3 H 4.796 -3.238 -6.615 1.00 . A A . 7 LYS HD3 1 1 8 3898 1 1 8 LYS HE2 H 4.748 -1.983 -8.660 1.00 . A A . 7 LYS HE2 1 1 8 3899 1 1 8 LYS HE3 H 3.172 -1.849 -7.883 1.00 . A A . 7 LYS HE3 1 1 8 3900 1 1 8 LYS HG2 H 2.982 -2.138 -5.406 1.00 . A A . 7 LYS HG2 1 1 8 3901 1 1 8 LYS HG3 H 3.962 -0.677 -5.243 1.00 . A A . 7 LYS HG3 1 1 8 3902 1 1 8 LYS HZ1 H 3.835 0.327 -7.036 1.00 . A A . 7 LYS HZ1 1 1 8 3903 1 1 8 LYS HZ2 H 3.898 0.282 -8.723 1.00 . A A . 7 LYS HZ2 1 1 8 3904 1 1 8 LYS HZ3 H 5.325 0.193 -7.823 1.00 . A A . 7 LYS HZ3 1 1 8 3905 1 1 8 LYS N N 3.325 -4.419 -4.021 1.00 . A A . 7 LYS N 1 1 8 3906 1 1 8 LYS NZ N 4.325 -0.091 -7.850 1.00 . A A . 7 LYS NZ 1 1 8 3907 1 1 8 LYS O O 4.783 -4.479 -1.671 1.00 . A A . 7 LYS O 1 1 8 3908 1 1 9 PRO C C 7.557 -3.950 -0.547 1.00 . A A . 8 PRO C 1 1 8 3909 1 1 9 PRO CA C 7.536 -4.956 -1.691 1.00 . A A . 8 PRO CA 1 1 8 3910 1 1 9 PRO CB C 8.934 -5.107 -2.296 1.00 . A A . 8 PRO CB 1 1 8 3911 1 1 9 PRO CD C 7.518 -4.302 -4.036 1.00 . A A . 8 PRO CD 1 1 8 3912 1 1 9 PRO CG C 8.926 -4.249 -3.509 1.00 . A A . 8 PRO CG 1 1 8 3913 1 1 9 PRO HA H 7.197 -5.912 -1.320 1.00 . A A . 8 PRO HA 1 1 8 3914 1 1 9 PRO HB2 H 9.678 -4.772 -1.586 1.00 . A A . 8 PRO HB2 1 1 8 3915 1 1 9 PRO HB3 H 9.111 -6.134 -2.567 1.00 . A A . 8 PRO HB3 1 1 8 3916 1 1 9 PRO HD2 H 7.256 -3.370 -4.521 1.00 . A A . 8 PRO HD2 1 1 8 3917 1 1 9 PRO HD3 H 7.396 -5.134 -4.716 1.00 . A A . 8 PRO HD3 1 1 8 3918 1 1 9 PRO HG2 H 9.194 -3.236 -3.239 1.00 . A A . 8 PRO HG2 1 1 8 3919 1 1 9 PRO HG3 H 9.612 -4.640 -4.245 1.00 . A A . 8 PRO HG3 1 1 8 3920 1 1 9 PRO N N 6.718 -4.500 -2.819 1.00 . A A . 8 PRO N 1 1 8 3921 1 1 9 PRO O O 7.936 -2.791 -0.724 1.00 . A A . 8 PRO O 1 1 8 3922 1 1 10 GLY C C 7.866 -4.127 2.953 1.00 . A A . 9 GLY C 1 1 8 3923 1 1 10 GLY CA C 7.101 -3.549 1.785 1.00 . A A . 9 GLY CA 1 1 8 3924 1 1 10 GLY H H 6.872 -5.344 0.697 1.00 . A A . 9 GLY H 1 1 8 3925 1 1 10 GLY HA2 H 7.526 -2.591 1.528 1.00 . A A . 9 GLY HA2 1 1 8 3926 1 1 10 GLY HA3 H 6.072 -3.410 2.077 1.00 . A A . 9 GLY HA3 1 1 8 3927 1 1 10 GLY N N 7.147 -4.407 0.622 1.00 . A A . 9 GLY N 1 1 8 3928 1 1 10 GLY O O 7.723 -3.673 4.089 1.00 . A A . 9 GLY O 1 1 8 3929 1 1 11 ASP C C 10.934 -5.869 3.220 1.00 . A A . 10 ASP C 1 1 8 3930 1 1 11 ASP CA C 9.491 -5.777 3.692 1.00 . A A . 10 ASP CA 1 1 8 3931 1 1 11 ASP CB C 8.970 -7.186 3.999 1.00 . A A . 10 ASP CB 1 1 8 3932 1 1 11 ASP CG C 7.515 -7.211 4.422 1.00 . A A . 10 ASP CG 1 1 8 3933 1 1 11 ASP H H 8.727 -5.454 1.746 1.00 . A A . 10 ASP H 1 1 8 3934 1 1 11 ASP HA H 9.448 -5.177 4.585 1.00 . A A . 10 ASP HA 1 1 8 3935 1 1 11 ASP HB2 H 9.075 -7.797 3.117 1.00 . A A . 10 ASP HB2 1 1 8 3936 1 1 11 ASP HB3 H 9.562 -7.612 4.795 1.00 . A A . 10 ASP HB3 1 1 8 3937 1 1 11 ASP N N 8.677 -5.133 2.670 1.00 . A A . 10 ASP N 1 1 8 3938 1 1 11 ASP O O 11.840 -5.295 3.820 1.00 . A A . 10 ASP O 1 1 8 3939 1 1 11 ASP OD1 O 7.227 -6.904 5.598 1.00 . A A . 10 ASP OD1 1 1 8 3940 1 1 11 ASP OD2 O 6.650 -7.526 3.581 1.00 . A A . 10 ASP OD2 1 1 8 3941 1 1 12 ASN C C 12.860 -5.675 0.609 1.00 . A A . 11 ASN C 1 1 8 3942 1 1 12 ASN CA C 12.453 -6.804 1.552 1.00 . A A . 11 ASN CA 1 1 8 3943 1 1 12 ASN CB C 12.477 -8.143 0.802 1.00 . A A . 11 ASN CB 1 1 8 3944 1 1 12 ASN CG C 11.497 -8.200 -0.363 1.00 . A A . 11 ASN CG 1 1 8 3945 1 1 12 ASN H H 10.347 -6.939 1.648 1.00 . A A . 11 ASN H 1 1 8 3946 1 1 12 ASN HA H 13.155 -6.846 2.369 1.00 . A A . 11 ASN HA 1 1 8 3947 1 1 12 ASN HB2 H 13.471 -8.308 0.416 1.00 . A A . 11 ASN HB2 1 1 8 3948 1 1 12 ASN HB3 H 12.231 -8.936 1.494 1.00 . A A . 11 ASN HB3 1 1 8 3949 1 1 12 ASN HD21 H 12.716 -9.407 -1.367 1.00 . A A . 11 ASN HD21 1 1 8 3950 1 1 12 ASN HD22 H 11.238 -8.997 -2.165 1.00 . A A . 11 ASN HD22 1 1 8 3951 1 1 12 ASN N N 11.125 -6.568 2.113 1.00 . A A . 11 ASN N 1 1 8 3952 1 1 12 ASN ND2 N 11.852 -8.942 -1.402 1.00 . A A . 11 ASN ND2 1 1 8 3953 1 1 12 ASN O O 13.562 -5.893 -0.380 1.00 . A A . 11 ASN O 1 1 8 3954 1 1 12 ASN OD1 O 10.430 -7.583 -0.332 1.00 . A A . 11 ASN OD1 1 1 8 3955 1 1 13 ALA C C 13.597 -2.296 0.774 1.00 . A A . 12 ALA C 1 1 8 3956 1 1 13 ALA CA C 12.694 -3.316 0.090 1.00 . A A . 12 ALA CA 1 1 8 3957 1 1 13 ALA CB C 11.375 -2.674 -0.300 1.00 . A A . 12 ALA CB 1 1 8 3958 1 1 13 ALA H H 11.971 -4.340 1.784 1.00 . A A . 12 ALA H 1 1 8 3959 1 1 13 ALA HA H 13.177 -3.661 -0.810 1.00 . A A . 12 ALA HA 1 1 8 3960 1 1 13 ALA HB1 H 10.936 -2.198 0.567 1.00 . A A . 12 ALA HB1 1 1 8 3961 1 1 13 ALA HB2 H 10.703 -3.434 -0.668 1.00 . A A . 12 ALA HB2 1 1 8 3962 1 1 13 ALA HB3 H 11.545 -1.940 -1.068 1.00 . A A . 12 ALA HB3 1 1 8 3963 1 1 13 ALA N N 12.446 -4.465 0.940 1.00 . A A . 12 ALA N 1 1 8 3964 1 1 13 ALA O O 13.782 -2.332 1.992 1.00 . A A . 12 ALA O 1 1 8 3965 1 1 14 THR C C 14.118 0.740 1.163 1.00 . A A . 13 THR C 1 1 8 3966 1 1 14 THR CA C 14.984 -0.312 0.478 1.00 . A A . 13 THR CA 1 1 8 3967 1 1 14 THR CB C 15.772 0.336 -0.673 1.00 . A A . 13 THR CB 1 1 8 3968 1 1 14 THR CG2 C 16.838 -0.613 -1.187 1.00 . A A . 13 THR CG2 1 1 8 3969 1 1 14 THR H H 14.026 -1.482 -0.993 1.00 . A A . 13 THR H 1 1 8 3970 1 1 14 THR HA H 15.688 -0.711 1.192 1.00 . A A . 13 THR HA 1 1 8 3971 1 1 14 THR HB H 16.251 1.229 -0.306 1.00 . A A . 13 THR HB 1 1 8 3972 1 1 14 THR HG1 H 15.385 0.781 -2.559 1.00 . A A . 13 THR HG1 1 1 8 3973 1 1 14 THR HG21 H 17.520 -0.852 -0.385 1.00 . A A . 13 THR HG21 1 1 8 3974 1 1 14 THR HG22 H 17.379 -0.143 -1.994 1.00 . A A . 13 THR HG22 1 1 8 3975 1 1 14 THR HG23 H 16.369 -1.519 -1.543 1.00 . A A . 13 THR HG23 1 1 8 3976 1 1 14 THR N N 14.162 -1.403 -0.025 1.00 . A A . 13 THR N 1 1 8 3977 1 1 14 THR O O 12.920 0.819 0.903 1.00 . A A . 13 THR O 1 1 8 3978 1 1 14 THR OG1 O 14.882 0.687 -1.741 1.00 . A A . 13 THR OG1 1 1 8 3979 1 1 15 PRO C C 13.282 3.576 1.808 1.00 . A A . 14 PRO C 1 1 8 3980 1 1 15 PRO CA C 13.972 2.609 2.765 1.00 . A A . 14 PRO CA 1 1 8 3981 1 1 15 PRO CB C 15.054 3.329 3.583 1.00 . A A . 14 PRO CB 1 1 8 3982 1 1 15 PRO CD C 16.124 1.534 2.437 1.00 . A A . 14 PRO CD 1 1 8 3983 1 1 15 PRO CG C 16.350 2.912 2.991 1.00 . A A . 14 PRO CG 1 1 8 3984 1 1 15 PRO HA H 13.236 2.184 3.430 1.00 . A A . 14 PRO HA 1 1 8 3985 1 1 15 PRO HB2 H 14.924 4.399 3.503 1.00 . A A . 14 PRO HB2 1 1 8 3986 1 1 15 PRO HB3 H 15.008 3.021 4.615 1.00 . A A . 14 PRO HB3 1 1 8 3987 1 1 15 PRO HD2 H 16.757 1.359 1.583 1.00 . A A . 14 PRO HD2 1 1 8 3988 1 1 15 PRO HD3 H 16.298 0.785 3.193 1.00 . A A . 14 PRO HD3 1 1 8 3989 1 1 15 PRO HG2 H 16.626 3.605 2.202 1.00 . A A . 14 PRO HG2 1 1 8 3990 1 1 15 PRO HG3 H 17.111 2.881 3.757 1.00 . A A . 14 PRO HG3 1 1 8 3991 1 1 15 PRO N N 14.707 1.563 2.049 1.00 . A A . 14 PRO N 1 1 8 3992 1 1 15 PRO O O 12.167 4.035 2.066 1.00 . A A . 14 PRO O 1 1 8 3993 1 1 16 GLU C C 12.142 4.085 -0.943 1.00 . A A . 15 GLU C 1 1 8 3994 1 1 16 GLU CA C 13.377 4.731 -0.329 1.00 . A A . 15 GLU CA 1 1 8 3995 1 1 16 GLU CB C 14.409 5.016 -1.419 1.00 . A A . 15 GLU CB 1 1 8 3996 1 1 16 GLU CD C 14.873 6.117 -3.641 1.00 . A A . 15 GLU CD 1 1 8 3997 1 1 16 GLU CG C 13.895 5.952 -2.502 1.00 . A A . 15 GLU CG 1 1 8 3998 1 1 16 GLU H H 14.831 3.472 0.547 1.00 . A A . 15 GLU H 1 1 8 3999 1 1 16 GLU HA H 13.095 5.658 0.142 1.00 . A A . 15 GLU HA 1 1 8 4000 1 1 16 GLU HB2 H 15.281 5.467 -0.963 1.00 . A A . 15 GLU HB2 1 1 8 4001 1 1 16 GLU HB3 H 14.696 4.084 -1.881 1.00 . A A . 15 GLU HB3 1 1 8 4002 1 1 16 GLU HG2 H 12.970 5.556 -2.896 1.00 . A A . 15 GLU HG2 1 1 8 4003 1 1 16 GLU HG3 H 13.711 6.920 -2.062 1.00 . A A . 15 GLU HG3 1 1 8 4004 1 1 16 GLU N N 13.943 3.864 0.691 1.00 . A A . 15 GLU N 1 1 8 4005 1 1 16 GLU O O 11.118 4.739 -1.161 1.00 . A A . 15 GLU O 1 1 8 4006 1 1 16 GLU OE1 O 14.595 5.606 -4.744 1.00 . A A . 15 GLU OE1 1 1 8 4007 1 1 16 GLU OE2 O 15.936 6.739 -3.436 1.00 . A A . 15 GLU OE2 1 1 8 4008 1 1 17 LYS C C 10.031 1.863 -0.788 1.00 . A A . 16 LYS C 1 1 8 4009 1 1 17 LYS CA C 11.159 2.036 -1.795 1.00 . A A . 16 LYS CA 1 1 8 4010 1 1 17 LYS CB C 11.672 0.674 -2.274 1.00 . A A . 16 LYS CB 1 1 8 4011 1 1 17 LYS CD C 10.096 0.536 -4.231 1.00 . A A . 16 LYS CD 1 1 8 4012 1 1 17 LYS CE C 9.289 -0.406 -5.111 1.00 . A A . 16 LYS CE 1 1 8 4013 1 1 17 LYS CG C 10.635 -0.172 -3.000 1.00 . A A . 16 LYS CG 1 1 8 4014 1 1 17 LYS H H 13.078 2.325 -0.973 1.00 . A A . 16 LYS H 1 1 8 4015 1 1 17 LYS HA H 10.790 2.595 -2.640 1.00 . A A . 16 LYS HA 1 1 8 4016 1 1 17 LYS HB2 H 12.504 0.833 -2.947 1.00 . A A . 16 LYS HB2 1 1 8 4017 1 1 17 LYS HB3 H 12.021 0.119 -1.416 1.00 . A A . 16 LYS HB3 1 1 8 4018 1 1 17 LYS HD2 H 9.462 1.351 -3.918 1.00 . A A . 16 LYS HD2 1 1 8 4019 1 1 17 LYS HD3 H 10.927 0.924 -4.803 1.00 . A A . 16 LYS HD3 1 1 8 4020 1 1 17 LYS HE2 H 8.513 -0.861 -4.514 1.00 . A A . 16 LYS HE2 1 1 8 4021 1 1 17 LYS HE3 H 8.840 0.165 -5.910 1.00 . A A . 16 LYS HE3 1 1 8 4022 1 1 17 LYS HG2 H 11.092 -1.102 -3.302 1.00 . A A . 16 LYS HG2 1 1 8 4023 1 1 17 LYS HG3 H 9.816 -0.374 -2.325 1.00 . A A . 16 LYS HG3 1 1 8 4024 1 1 17 LYS HZ1 H 10.928 -1.055 -6.229 1.00 . A A . 16 LYS HZ1 1 1 8 4025 1 1 17 LYS HZ2 H 9.574 -2.062 -6.353 1.00 . A A . 16 LYS HZ2 1 1 8 4026 1 1 17 LYS HZ3 H 10.522 -2.087 -4.952 1.00 . A A . 16 LYS HZ3 1 1 8 4027 1 1 17 LYS N N 12.246 2.790 -1.200 1.00 . A A . 16 LYS N 1 1 8 4028 1 1 17 LYS NZ N 10.136 -1.477 -5.700 1.00 . A A . 16 LYS NZ 1 1 8 4029 1 1 17 LYS O O 8.860 1.939 -1.144 1.00 . A A . 16 LYS O 1 1 8 4030 1 1 18 LEU C C 8.617 2.797 1.707 1.00 . A A . 17 LEU C 1 1 8 4031 1 1 18 LEU CA C 9.421 1.517 1.542 1.00 . A A . 17 LEU CA 1 1 8 4032 1 1 18 LEU CB C 10.107 1.159 2.861 1.00 . A A . 17 LEU CB 1 1 8 4033 1 1 18 LEU CD1 C 11.316 -0.503 4.284 1.00 . A A . 17 LEU CD1 1 1 8 4034 1 1 18 LEU CD2 C 9.724 -1.289 2.535 1.00 . A A . 17 LEU CD2 1 1 8 4035 1 1 18 LEU CG C 10.742 -0.229 2.907 1.00 . A A . 17 LEU CG 1 1 8 4036 1 1 18 LEU H H 11.354 1.559 0.685 1.00 . A A . 17 LEU H 1 1 8 4037 1 1 18 LEU HA H 8.751 0.720 1.273 1.00 . A A . 17 LEU HA 1 1 8 4038 1 1 18 LEU HB2 H 10.876 1.889 3.047 1.00 . A A . 17 LEU HB2 1 1 8 4039 1 1 18 LEU HB3 H 9.375 1.223 3.650 1.00 . A A . 17 LEU HB3 1 1 8 4040 1 1 18 LEU HD11 H 11.810 -1.463 4.284 1.00 . A A . 17 LEU HD11 1 1 8 4041 1 1 18 LEU HD12 H 10.519 -0.508 5.013 1.00 . A A . 17 LEU HD12 1 1 8 4042 1 1 18 LEU HD13 H 12.027 0.268 4.536 1.00 . A A . 17 LEU HD13 1 1 8 4043 1 1 18 LEU HD21 H 8.856 -1.193 3.171 1.00 . A A . 17 LEU HD21 1 1 8 4044 1 1 18 LEU HD22 H 10.160 -2.268 2.665 1.00 . A A . 17 LEU HD22 1 1 8 4045 1 1 18 LEU HD23 H 9.431 -1.159 1.503 1.00 . A A . 17 LEU HD23 1 1 8 4046 1 1 18 LEU HG H 11.551 -0.273 2.192 1.00 . A A . 17 LEU HG 1 1 8 4047 1 1 18 LEU N N 10.396 1.647 0.471 1.00 . A A . 17 LEU N 1 1 8 4048 1 1 18 LEU O O 7.414 2.750 1.944 1.00 . A A . 17 LEU O 1 1 8 4049 1 1 19 ALA C C 7.569 5.372 0.572 1.00 . A A . 18 ALA C 1 1 8 4050 1 1 19 ALA CA C 8.616 5.225 1.668 1.00 . A A . 18 ALA CA 1 1 8 4051 1 1 19 ALA CB C 9.630 6.350 1.583 1.00 . A A . 18 ALA CB 1 1 8 4052 1 1 19 ALA H H 10.250 3.909 1.415 1.00 . A A . 18 ALA H 1 1 8 4053 1 1 19 ALA HA H 8.129 5.278 2.628 1.00 . A A . 18 ALA HA 1 1 8 4054 1 1 19 ALA HB1 H 10.110 6.326 0.616 1.00 . A A . 18 ALA HB1 1 1 8 4055 1 1 19 ALA HB2 H 10.372 6.224 2.357 1.00 . A A . 18 ALA HB2 1 1 8 4056 1 1 19 ALA HB3 H 9.128 7.296 1.713 1.00 . A A . 18 ALA HB3 1 1 8 4057 1 1 19 ALA N N 9.283 3.936 1.572 1.00 . A A . 18 ALA N 1 1 8 4058 1 1 19 ALA O O 6.450 5.829 0.818 1.00 . A A . 18 ALA O 1 1 8 4059 1 1 20 LYS C C 5.939 3.951 -1.613 1.00 . A A . 19 LYS C 1 1 8 4060 1 1 20 LYS CA C 7.019 5.018 -1.765 1.00 . A A . 19 LYS CA 1 1 8 4061 1 1 20 LYS CB C 7.796 4.835 -3.069 1.00 . A A . 19 LYS CB 1 1 8 4062 1 1 20 LYS CD C 7.797 5.138 -5.565 1.00 . A A . 19 LYS CD 1 1 8 4063 1 1 20 LYS CE C 8.792 4.004 -5.739 1.00 . A A . 19 LYS CE 1 1 8 4064 1 1 20 LYS CG C 6.941 4.957 -4.321 1.00 . A A . 19 LYS CG 1 1 8 4065 1 1 20 LYS H H 8.848 4.633 -0.772 1.00 . A A . 19 LYS H 1 1 8 4066 1 1 20 LYS HA H 6.550 5.990 -1.767 1.00 . A A . 19 LYS HA 1 1 8 4067 1 1 20 LYS HB2 H 8.572 5.582 -3.118 1.00 . A A . 19 LYS HB2 1 1 8 4068 1 1 20 LYS HB3 H 8.251 3.856 -3.066 1.00 . A A . 19 LYS HB3 1 1 8 4069 1 1 20 LYS HD2 H 7.153 5.169 -6.430 1.00 . A A . 19 LYS HD2 1 1 8 4070 1 1 20 LYS HD3 H 8.338 6.070 -5.484 1.00 . A A . 19 LYS HD3 1 1 8 4071 1 1 20 LYS HE2 H 9.417 3.951 -4.860 1.00 . A A . 19 LYS HE2 1 1 8 4072 1 1 20 LYS HE3 H 8.250 3.077 -5.848 1.00 . A A . 19 LYS HE3 1 1 8 4073 1 1 20 LYS HG2 H 6.353 4.059 -4.430 1.00 . A A . 19 LYS HG2 1 1 8 4074 1 1 20 LYS HG3 H 6.286 5.809 -4.218 1.00 . A A . 19 LYS HG3 1 1 8 4075 1 1 20 LYS HZ1 H 10.288 3.393 -7.054 1.00 . A A . 19 LYS HZ1 1 1 8 4076 1 1 20 LYS HZ2 H 10.230 5.063 -6.815 1.00 . A A . 19 LYS HZ2 1 1 8 4077 1 1 20 LYS HZ3 H 9.068 4.308 -7.786 1.00 . A A . 19 LYS HZ3 1 1 8 4078 1 1 20 LYS N N 7.935 4.970 -0.637 1.00 . A A . 19 LYS N 1 1 8 4079 1 1 20 LYS NZ N 9.654 4.206 -6.932 1.00 . A A . 19 LYS NZ 1 1 8 4080 1 1 20 LYS O O 4.786 4.158 -1.987 1.00 . A A . 19 LYS O 1 1 8 4081 1 1 21 TYR C C 4.343 2.244 0.278 1.00 . A A . 20 TYR C 1 1 8 4082 1 1 21 TYR CA C 5.378 1.757 -0.725 1.00 . A A . 20 TYR CA 1 1 8 4083 1 1 21 TYR CB C 6.122 0.542 -0.168 1.00 . A A . 20 TYR CB 1 1 8 4084 1 1 21 TYR CD1 C 4.458 -1.345 -0.370 1.00 . A A . 20 TYR CD1 1 1 8 4085 1 1 21 TYR CD2 C 5.133 -0.672 1.815 1.00 . A A . 20 TYR CD2 1 1 8 4086 1 1 21 TYR CE1 C 3.634 -2.309 0.176 1.00 . A A . 20 TYR CE1 1 1 8 4087 1 1 21 TYR CE2 C 4.312 -1.635 2.366 1.00 . A A . 20 TYR CE2 1 1 8 4088 1 1 21 TYR CG C 5.220 -0.510 0.439 1.00 . A A . 20 TYR CG 1 1 8 4089 1 1 21 TYR CZ C 3.560 -2.434 1.565 1.00 . A A . 20 TYR CZ 1 1 8 4090 1 1 21 TYR H H 7.273 2.687 -0.835 1.00 . A A . 20 TYR H 1 1 8 4091 1 1 21 TYR HA H 4.876 1.476 -1.637 1.00 . A A . 20 TYR HA 1 1 8 4092 1 1 21 TYR HB2 H 6.683 0.077 -0.965 1.00 . A A . 20 TYR HB2 1 1 8 4093 1 1 21 TYR HB3 H 6.804 0.875 0.599 1.00 . A A . 20 TYR HB3 1 1 8 4094 1 1 21 TYR HD1 H 4.513 -1.232 -1.442 1.00 . A A . 20 TYR HD1 1 1 8 4095 1 1 21 TYR HD2 H 5.719 -0.031 2.458 1.00 . A A . 20 TYR HD2 1 1 8 4096 1 1 21 TYR HE1 H 3.050 -2.948 -0.469 1.00 . A A . 20 TYR HE1 1 1 8 4097 1 1 21 TYR HE2 H 4.255 -1.745 3.439 1.00 . A A . 20 TYR HE2 1 1 8 4098 1 1 21 TYR HH H 2.652 -4.143 1.474 1.00 . A A . 20 TYR HH 1 1 8 4099 1 1 21 TYR N N 6.320 2.819 -1.041 1.00 . A A . 20 TYR N 1 1 8 4100 1 1 21 TYR O O 3.159 1.951 0.148 1.00 . A A . 20 TYR O 1 1 8 4101 1 1 21 TYR OH O 2.742 -3.406 2.093 1.00 . A A . 20 TYR OH 1 1 8 4102 1 1 22 GLN C C 2.908 4.520 1.653 1.00 . A A . 21 GLN C 1 1 8 4103 1 1 22 GLN CA C 3.898 3.550 2.282 1.00 . A A . 21 GLN CA 1 1 8 4104 1 1 22 GLN CB C 4.690 4.244 3.388 1.00 . A A . 21 GLN CB 1 1 8 4105 1 1 22 GLN CD C 4.472 2.345 5.040 1.00 . A A . 21 GLN CD 1 1 8 4106 1 1 22 GLN CG C 5.421 3.273 4.300 1.00 . A A . 21 GLN CG 1 1 8 4107 1 1 22 GLN H H 5.760 3.174 1.342 1.00 . A A . 21 GLN H 1 1 8 4108 1 1 22 GLN HA H 3.348 2.730 2.714 1.00 . A A . 21 GLN HA 1 1 8 4109 1 1 22 GLN HB2 H 5.417 4.904 2.935 1.00 . A A . 21 GLN HB2 1 1 8 4110 1 1 22 GLN HB3 H 4.010 4.829 3.987 1.00 . A A . 21 GLN HB3 1 1 8 4111 1 1 22 GLN HE21 H 5.836 0.899 5.042 1.00 . A A . 21 GLN HE21 1 1 8 4112 1 1 22 GLN HE22 H 4.331 0.513 5.796 1.00 . A A . 21 GLN HE22 1 1 8 4113 1 1 22 GLN HG2 H 6.096 2.678 3.702 1.00 . A A . 21 GLN HG2 1 1 8 4114 1 1 22 GLN HG3 H 5.987 3.838 5.025 1.00 . A A . 21 GLN HG3 1 1 8 4115 1 1 22 GLN N N 4.794 2.995 1.276 1.00 . A A . 21 GLN N 1 1 8 4116 1 1 22 GLN NE2 N 4.925 1.132 5.321 1.00 . A A . 21 GLN NE2 1 1 8 4117 1 1 22 GLN O O 1.800 4.703 2.154 1.00 . A A . 21 GLN O 1 1 8 4118 1 1 22 GLN OE1 O 3.338 2.714 5.352 1.00 . A A . 21 GLN OE1 1 1 8 4119 1 1 23 ALA C C 1.330 5.220 -0.878 1.00 . A A . 22 ALA C 1 1 8 4120 1 1 23 ALA CA C 2.435 6.017 -0.194 1.00 . A A . 22 ALA CA 1 1 8 4121 1 1 23 ALA CB C 3.233 6.817 -1.210 1.00 . A A . 22 ALA CB 1 1 8 4122 1 1 23 ALA H H 4.222 4.977 0.222 1.00 . A A . 22 ALA H 1 1 8 4123 1 1 23 ALA HA H 1.988 6.706 0.507 1.00 . A A . 22 ALA HA 1 1 8 4124 1 1 23 ALA HB1 H 2.573 7.484 -1.742 1.00 . A A . 22 ALA HB1 1 1 8 4125 1 1 23 ALA HB2 H 3.703 6.140 -1.909 1.00 . A A . 22 ALA HB2 1 1 8 4126 1 1 23 ALA HB3 H 3.991 7.391 -0.700 1.00 . A A . 22 ALA HB3 1 1 8 4127 1 1 23 ALA N N 3.311 5.129 0.548 1.00 . A A . 22 ALA N 1 1 8 4128 1 1 23 ALA O O 0.175 5.646 -0.924 1.00 . A A . 22 ALA O 1 1 8 4129 1 1 24 ASP C C -0.113 2.471 -0.933 1.00 . A A . 23 ASP C 1 1 8 4130 1 1 24 ASP CA C 0.708 3.165 -2.017 1.00 . A A . 23 ASP CA 1 1 8 4131 1 1 24 ASP CB C 1.401 2.128 -2.909 1.00 . A A . 23 ASP CB 1 1 8 4132 1 1 24 ASP CG C 0.426 1.380 -3.798 1.00 . A A . 23 ASP CG 1 1 8 4133 1 1 24 ASP H H 2.632 3.784 -1.369 1.00 . A A . 23 ASP H 1 1 8 4134 1 1 24 ASP HA H 0.050 3.772 -2.621 1.00 . A A . 23 ASP HA 1 1 8 4135 1 1 24 ASP HB2 H 2.119 2.630 -3.542 1.00 . A A . 23 ASP HB2 1 1 8 4136 1 1 24 ASP HB3 H 1.916 1.411 -2.283 1.00 . A A . 23 ASP HB3 1 1 8 4137 1 1 24 ASP N N 1.687 4.053 -1.397 1.00 . A A . 23 ASP N 1 1 8 4138 1 1 24 ASP O O -1.291 2.166 -1.118 1.00 . A A . 23 ASP O 1 1 8 4139 1 1 24 ASP OD1 O -0.047 0.294 -3.405 1.00 . A A . 23 ASP OD1 1 1 8 4140 1 1 24 ASP OD2 O 0.130 1.878 -4.904 1.00 . A A . 23 ASP OD2 1 1 8 4141 1 1 25 LEU C C -1.193 2.696 1.859 1.00 . A A . 24 LEU C 1 1 8 4142 1 1 25 LEU CA C -0.131 1.705 1.387 1.00 . A A . 24 LEU CA 1 1 8 4143 1 1 25 LEU CB C 0.924 1.449 2.482 1.00 . A A . 24 LEU CB 1 1 8 4144 1 1 25 LEU CD1 C -0.362 1.392 4.648 1.00 . A A . 24 LEU CD1 1 1 8 4145 1 1 25 LEU CD2 C -0.244 -0.652 3.220 1.00 . A A . 24 LEU CD2 1 1 8 4146 1 1 25 LEU CG C 0.494 0.592 3.683 1.00 . A A . 24 LEU CG 1 1 8 4147 1 1 25 LEU H H 1.497 2.413 0.244 1.00 . A A . 24 LEU H 1 1 8 4148 1 1 25 LEU HA H -0.607 0.772 1.119 1.00 . A A . 24 LEU HA 1 1 8 4149 1 1 25 LEU HB2 H 1.776 0.972 2.022 1.00 . A A . 24 LEU HB2 1 1 8 4150 1 1 25 LEU HB3 H 1.241 2.409 2.860 1.00 . A A . 24 LEU HB3 1 1 8 4151 1 1 25 LEU HD11 H -1.233 1.764 4.130 1.00 . A A . 24 LEU HD11 1 1 8 4152 1 1 25 LEU HD12 H 0.210 2.223 5.033 1.00 . A A . 24 LEU HD12 1 1 8 4153 1 1 25 LEU HD13 H -0.674 0.759 5.465 1.00 . A A . 24 LEU HD13 1 1 8 4154 1 1 25 LEU HD21 H -0.508 -1.254 4.075 1.00 . A A . 24 LEU HD21 1 1 8 4155 1 1 25 LEU HD22 H 0.393 -1.221 2.559 1.00 . A A . 24 LEU HD22 1 1 8 4156 1 1 25 LEU HD23 H -1.139 -0.362 2.694 1.00 . A A . 24 LEU HD23 1 1 8 4157 1 1 25 LEU HG H 1.380 0.273 4.218 1.00 . A A . 24 LEU HG 1 1 8 4158 1 1 25 LEU N N 0.530 2.237 0.205 1.00 . A A . 24 LEU N 1 1 8 4159 1 1 25 LEU O O -2.297 2.308 2.243 1.00 . A A . 24 LEU O 1 1 8 4160 1 1 26 ALA C C -2.970 5.022 1.161 1.00 . A A . 25 ALA C 1 1 8 4161 1 1 26 ALA CA C -1.796 5.042 2.131 1.00 . A A . 25 ALA CA 1 1 8 4162 1 1 26 ALA CB C -1.097 6.389 2.090 1.00 . A A . 25 ALA CB 1 1 8 4163 1 1 26 ALA H H 0.068 4.219 1.564 1.00 . A A . 25 ALA H 1 1 8 4164 1 1 26 ALA HA H -2.160 4.878 3.133 1.00 . A A . 25 ALA HA 1 1 8 4165 1 1 26 ALA HB1 H -0.732 6.573 1.091 1.00 . A A . 25 ALA HB1 1 1 8 4166 1 1 26 ALA HB2 H -0.269 6.385 2.782 1.00 . A A . 25 ALA HB2 1 1 8 4167 1 1 26 ALA HB3 H -1.795 7.165 2.368 1.00 . A A . 25 ALA HB3 1 1 8 4168 1 1 26 ALA N N -0.853 3.980 1.811 1.00 . A A . 25 ALA N 1 1 8 4169 1 1 26 ALA O O -4.121 5.175 1.561 1.00 . A A . 25 ALA O 1 1 8 4170 1 1 27 LYS C C -4.599 3.502 -0.809 1.00 . A A . 26 LYS C 1 1 8 4171 1 1 27 LYS CA C -3.680 4.671 -1.149 1.00 . A A . 26 LYS CA 1 1 8 4172 1 1 27 LYS CB C -3.014 4.432 -2.507 1.00 . A A . 26 LYS CB 1 1 8 4173 1 1 27 LYS CD C -3.274 3.843 -4.932 1.00 . A A . 26 LYS CD 1 1 8 4174 1 1 27 LYS CE C -4.250 3.604 -6.072 1.00 . A A . 26 LYS CE 1 1 8 4175 1 1 27 LYS CG C -3.993 4.242 -3.654 1.00 . A A . 26 LYS CG 1 1 8 4176 1 1 27 LYS H H -1.715 4.784 -0.371 1.00 . A A . 26 LYS H 1 1 8 4177 1 1 27 LYS HA H -4.259 5.580 -1.187 1.00 . A A . 26 LYS HA 1 1 8 4178 1 1 27 LYS HB2 H -2.382 5.275 -2.738 1.00 . A A . 26 LYS HB2 1 1 8 4179 1 1 27 LYS HB3 H -2.401 3.547 -2.439 1.00 . A A . 26 LYS HB3 1 1 8 4180 1 1 27 LYS HD2 H -2.596 4.634 -5.214 1.00 . A A . 26 LYS HD2 1 1 8 4181 1 1 27 LYS HD3 H -2.717 2.937 -4.752 1.00 . A A . 26 LYS HD3 1 1 8 4182 1 1 27 LYS HE2 H -3.697 3.278 -6.939 1.00 . A A . 26 LYS HE2 1 1 8 4183 1 1 27 LYS HE3 H -4.943 2.831 -5.778 1.00 . A A . 26 LYS HE3 1 1 8 4184 1 1 27 LYS HG2 H -4.695 3.467 -3.390 1.00 . A A . 26 LYS HG2 1 1 8 4185 1 1 27 LYS HG3 H -4.521 5.168 -3.821 1.00 . A A . 26 LYS HG3 1 1 8 4186 1 1 27 LYS HZ1 H -5.674 4.634 -7.199 1.00 . A A . 26 LYS HZ1 1 1 8 4187 1 1 27 LYS HZ2 H -4.366 5.588 -6.712 1.00 . A A . 26 LYS HZ2 1 1 8 4188 1 1 27 LYS HZ3 H -5.558 5.160 -5.596 1.00 . A A . 26 LYS HZ3 1 1 8 4189 1 1 27 LYS N N -2.661 4.822 -0.116 1.00 . A A . 26 LYS N 1 1 8 4190 1 1 27 LYS NZ N -5.014 4.831 -6.419 1.00 . A A . 26 LYS NZ 1 1 8 4191 1 1 27 LYS O O -5.817 3.573 -0.984 1.00 . A A . 26 LYS O 1 1 8 4192 1 1 28 TYR C C -5.678 1.592 1.258 1.00 . A A . 27 TYR C 1 1 8 4193 1 1 28 TYR CA C -4.741 1.250 0.105 1.00 . A A . 27 TYR CA 1 1 8 4194 1 1 28 TYR CB C -3.767 0.137 0.510 1.00 . A A . 27 TYR CB 1 1 8 4195 1 1 28 TYR CD1 C -5.275 -1.889 0.471 1.00 . A A . 27 TYR CD1 1 1 8 4196 1 1 28 TYR CD2 C -4.185 -1.336 2.516 1.00 . A A . 27 TYR CD2 1 1 8 4197 1 1 28 TYR CE1 C -5.873 -2.974 1.077 1.00 . A A . 27 TYR CE1 1 1 8 4198 1 1 28 TYR CE2 C -4.779 -2.421 3.126 1.00 . A A . 27 TYR CE2 1 1 8 4199 1 1 28 TYR CG C -4.421 -1.051 1.180 1.00 . A A . 27 TYR CG 1 1 8 4200 1 1 28 TYR CZ C -5.622 -3.230 2.415 1.00 . A A . 27 TYR CZ 1 1 8 4201 1 1 28 TYR H H -3.021 2.431 -0.229 1.00 . A A . 27 TYR H 1 1 8 4202 1 1 28 TYR HA H -5.333 0.915 -0.731 1.00 . A A . 27 TYR HA 1 1 8 4203 1 1 28 TYR HB2 H -3.258 -0.224 -0.371 1.00 . A A . 27 TYR HB2 1 1 8 4204 1 1 28 TYR HB3 H -3.039 0.543 1.193 1.00 . A A . 27 TYR HB3 1 1 8 4205 1 1 28 TYR HD1 H -5.470 -1.683 -0.569 1.00 . A A . 27 TYR HD1 1 1 8 4206 1 1 28 TYR HD2 H -3.528 -0.694 3.081 1.00 . A A . 27 TYR HD2 1 1 8 4207 1 1 28 TYR HE1 H -6.533 -3.613 0.510 1.00 . A A . 27 TYR HE1 1 1 8 4208 1 1 28 TYR HE2 H -4.582 -2.625 4.168 1.00 . A A . 27 TYR HE2 1 1 8 4209 1 1 28 TYR HH H -6.306 -5.035 2.374 1.00 . A A . 27 TYR HH 1 1 8 4210 1 1 28 TYR N N -3.999 2.429 -0.315 1.00 . A A . 27 TYR N 1 1 8 4211 1 1 28 TYR O O -6.868 1.287 1.207 1.00 . A A . 27 TYR O 1 1 8 4212 1 1 28 TYR OH O -6.215 -4.315 3.014 1.00 . A A . 27 TYR OH 1 1 8 4213 1 1 29 GLN C C -7.014 3.624 3.074 1.00 . A A . 28 GLN C 1 1 8 4214 1 1 29 GLN CA C -5.920 2.629 3.449 1.00 . A A . 28 GLN CA 1 1 8 4215 1 1 29 GLN CB C -5.021 3.230 4.532 1.00 . A A . 28 GLN CB 1 1 8 4216 1 1 29 GLN CD C -3.175 2.844 6.227 1.00 . A A . 28 GLN CD 1 1 8 4217 1 1 29 GLN CG C -4.008 2.248 5.108 1.00 . A A . 28 GLN CG 1 1 8 4218 1 1 29 GLN H H -4.185 2.480 2.244 1.00 . A A . 28 GLN H 1 1 8 4219 1 1 29 GLN HA H -6.383 1.734 3.838 1.00 . A A . 28 GLN HA 1 1 8 4220 1 1 29 GLN HB2 H -4.482 4.067 4.109 1.00 . A A . 28 GLN HB2 1 1 8 4221 1 1 29 GLN HB3 H -5.644 3.588 5.339 1.00 . A A . 28 GLN HB3 1 1 8 4222 1 1 29 GLN HE21 H -3.319 4.652 5.420 1.00 . A A . 28 GLN HE21 1 1 8 4223 1 1 29 GLN HE22 H -2.410 4.550 6.886 1.00 . A A . 28 GLN HE22 1 1 8 4224 1 1 29 GLN HG2 H -4.535 1.389 5.496 1.00 . A A . 28 GLN HG2 1 1 8 4225 1 1 29 GLN HG3 H -3.341 1.930 4.317 1.00 . A A . 28 GLN HG3 1 1 8 4226 1 1 29 GLN N N -5.137 2.246 2.279 1.00 . A A . 28 GLN N 1 1 8 4227 1 1 29 GLN NE2 N -2.945 4.145 6.173 1.00 . A A . 28 GLN NE2 1 1 8 4228 1 1 29 GLN O O -8.075 3.650 3.690 1.00 . A A . 28 GLN O 1 1 8 4229 1 1 29 GLN OE1 O -2.739 2.136 7.135 1.00 . A A . 28 GLN OE1 1 1 8 4230 1 1 30 LYS C C -8.982 4.719 1.102 1.00 . A A . 29 LYS C 1 1 8 4231 1 1 30 LYS CA C -7.702 5.409 1.562 1.00 . A A . 29 LYS CA 1 1 8 4232 1 1 30 LYS CB C -7.080 6.210 0.412 1.00 . A A . 29 LYS CB 1 1 8 4233 1 1 30 LYS CD C -7.338 7.949 -1.378 1.00 . A A . 29 LYS CD 1 1 8 4234 1 1 30 LYS CE C -8.260 8.971 -2.022 1.00 . A A . 29 LYS CE 1 1 8 4235 1 1 30 LYS CG C -8.013 7.230 -0.220 1.00 . A A . 29 LYS CG 1 1 8 4236 1 1 30 LYS H H -5.864 4.370 1.623 1.00 . A A . 29 LYS H 1 1 8 4237 1 1 30 LYS HA H -7.937 6.080 2.373 1.00 . A A . 29 LYS HA 1 1 8 4238 1 1 30 LYS HB2 H -6.214 6.736 0.788 1.00 . A A . 29 LYS HB2 1 1 8 4239 1 1 30 LYS HB3 H -6.762 5.522 -0.358 1.00 . A A . 29 LYS HB3 1 1 8 4240 1 1 30 LYS HD2 H -6.459 8.457 -1.010 1.00 . A A . 29 LYS HD2 1 1 8 4241 1 1 30 LYS HD3 H -7.049 7.220 -2.120 1.00 . A A . 29 LYS HD3 1 1 8 4242 1 1 30 LYS HE2 H -8.558 9.690 -1.275 1.00 . A A . 29 LYS HE2 1 1 8 4243 1 1 30 LYS HE3 H -7.721 9.477 -2.810 1.00 . A A . 29 LYS HE3 1 1 8 4244 1 1 30 LYS HG2 H -8.892 6.724 -0.587 1.00 . A A . 29 LYS HG2 1 1 8 4245 1 1 30 LYS HG3 H -8.296 7.956 0.527 1.00 . A A . 29 LYS HG3 1 1 8 4246 1 1 30 LYS HZ1 H -10.084 9.065 -3.032 1.00 . A A . 29 LYS HZ1 1 1 8 4247 1 1 30 LYS HZ2 H -10.019 7.858 -1.854 1.00 . A A . 29 LYS HZ2 1 1 8 4248 1 1 30 LYS HZ3 H -9.214 7.645 -3.325 1.00 . A A . 29 LYS HZ3 1 1 8 4249 1 1 30 LYS N N -6.744 4.429 2.053 1.00 . A A . 29 LYS N 1 1 8 4250 1 1 30 LYS NZ N -9.478 8.342 -2.598 1.00 . A A . 29 LYS NZ 1 1 8 4251 1 1 30 LYS O O -10.071 5.007 1.603 1.00 . A A . 29 LYS O 1 1 8 4252 1 1 31 ASP C C -10.526 2.104 0.714 1.00 . A A . 30 ASP C 1 1 8 4253 1 1 31 ASP CA C -9.984 3.047 -0.350 1.00 . A A . 30 ASP CA 1 1 8 4254 1 1 31 ASP CB C -9.621 2.253 -1.605 1.00 . A A . 30 ASP CB 1 1 8 4255 1 1 31 ASP CG C -9.515 3.125 -2.836 1.00 . A A . 30 ASP CG 1 1 8 4256 1 1 31 ASP H H -7.950 3.627 -0.219 1.00 . A A . 30 ASP H 1 1 8 4257 1 1 31 ASP HA H -10.755 3.757 -0.602 1.00 . A A . 30 ASP HA 1 1 8 4258 1 1 31 ASP HB2 H -8.669 1.763 -1.452 1.00 . A A . 30 ASP HB2 1 1 8 4259 1 1 31 ASP HB3 H -10.382 1.506 -1.779 1.00 . A A . 30 ASP HB3 1 1 8 4260 1 1 31 ASP N N -8.842 3.803 0.151 1.00 . A A . 30 ASP N 1 1 8 4261 1 1 31 ASP O O -11.720 1.823 0.749 1.00 . A A . 30 ASP O 1 1 8 4262 1 1 31 ASP OD1 O -8.385 3.348 -3.315 1.00 . A A . 30 ASP OD1 1 1 8 4263 1 1 31 ASP OD2 O -10.559 3.603 -3.325 1.00 . A A . 30 ASP OD2 1 1 8 4264 1 1 32 LEU C C -10.942 1.359 3.634 1.00 . A A . 31 LEU C 1 1 8 4265 1 1 32 LEU CA C -10.017 0.683 2.631 1.00 . A A . 31 LEU CA 1 1 8 4266 1 1 32 LEU CB C -8.771 0.142 3.337 1.00 . A A . 31 LEU CB 1 1 8 4267 1 1 32 LEU CD1 C -9.638 -2.192 3.687 1.00 . A A . 31 LEU CD1 1 1 8 4268 1 1 32 LEU CD2 C -7.702 -1.356 5.020 1.00 . A A . 31 LEU CD2 1 1 8 4269 1 1 32 LEU CG C -9.011 -0.977 4.352 1.00 . A A . 31 LEU CG 1 1 8 4270 1 1 32 LEU H H -8.695 1.880 1.484 1.00 . A A . 31 LEU H 1 1 8 4271 1 1 32 LEU HA H -10.547 -0.138 2.176 1.00 . A A . 31 LEU HA 1 1 8 4272 1 1 32 LEU HB2 H -8.087 -0.225 2.584 1.00 . A A . 31 LEU HB2 1 1 8 4273 1 1 32 LEU HB3 H -8.296 0.964 3.855 1.00 . A A . 31 LEU HB3 1 1 8 4274 1 1 32 LEU HD11 H -10.622 -1.939 3.328 1.00 . A A . 31 LEU HD11 1 1 8 4275 1 1 32 LEU HD12 H -9.713 -2.995 4.406 1.00 . A A . 31 LEU HD12 1 1 8 4276 1 1 32 LEU HD13 H -9.020 -2.508 2.860 1.00 . A A . 31 LEU HD13 1 1 8 4277 1 1 32 LEU HD21 H -7.303 -0.499 5.541 1.00 . A A . 31 LEU HD21 1 1 8 4278 1 1 32 LEU HD22 H -6.998 -1.680 4.267 1.00 . A A . 31 LEU HD22 1 1 8 4279 1 1 32 LEU HD23 H -7.876 -2.158 5.721 1.00 . A A . 31 LEU HD23 1 1 8 4280 1 1 32 LEU HG H -9.687 -0.625 5.117 1.00 . A A . 31 LEU HG 1 1 8 4281 1 1 32 LEU N N -9.637 1.611 1.570 1.00 . A A . 31 LEU N 1 1 8 4282 1 1 32 LEU O O -11.981 0.811 3.995 1.00 . A A . 31 LEU O 1 1 8 4283 1 1 33 ALA C C -12.707 3.698 4.365 1.00 . A A . 32 ALA C 1 1 8 4284 1 1 33 ALA CA C -11.372 3.334 4.995 1.00 . A A . 32 ALA CA 1 1 8 4285 1 1 33 ALA CB C -10.633 4.593 5.405 1.00 . A A . 32 ALA CB 1 1 8 4286 1 1 33 ALA H H -9.702 2.923 3.767 1.00 . A A . 32 ALA H 1 1 8 4287 1 1 33 ALA HA H -11.544 2.739 5.878 1.00 . A A . 32 ALA HA 1 1 8 4288 1 1 33 ALA HB1 H -10.434 5.190 4.527 1.00 . A A . 32 ALA HB1 1 1 8 4289 1 1 33 ALA HB2 H -9.699 4.326 5.877 1.00 . A A . 32 ALA HB2 1 1 8 4290 1 1 33 ALA HB3 H -11.239 5.158 6.095 1.00 . A A . 32 ALA HB3 1 1 8 4291 1 1 33 ALA N N -10.561 2.555 4.071 1.00 . A A . 32 ALA N 1 1 8 4292 1 1 33 ALA O O -13.727 3.809 5.044 1.00 . A A . 32 ALA O 1 1 8 4293 1 1 34 ASP C C -14.760 2.979 2.134 1.00 . A A . 33 ASP C 1 1 8 4294 1 1 34 ASP CA C -13.884 4.214 2.306 1.00 . A A . 33 ASP CA 1 1 8 4295 1 1 34 ASP CB C -13.506 4.782 0.936 1.00 . A A . 33 ASP CB 1 1 8 4296 1 1 34 ASP CG C -14.705 5.283 0.160 1.00 . A A . 33 ASP CG 1 1 8 4297 1 1 34 ASP H H -11.828 3.806 2.584 1.00 . A A . 33 ASP H 1 1 8 4298 1 1 34 ASP HA H -14.430 4.959 2.862 1.00 . A A . 33 ASP HA 1 1 8 4299 1 1 34 ASP HB2 H -12.820 5.604 1.070 1.00 . A A . 33 ASP HB2 1 1 8 4300 1 1 34 ASP HB3 H -13.023 4.009 0.356 1.00 . A A . 33 ASP HB3 1 1 8 4301 1 1 34 ASP N N -12.683 3.884 3.057 1.00 . A A . 33 ASP N 1 1 8 4302 1 1 34 ASP O O -15.983 3.075 2.025 1.00 . A A . 33 ASP O 1 1 8 4303 1 1 34 ASP OD1 O -15.262 4.513 -0.650 1.00 . A A . 33 ASP OD1 1 1 8 4304 1 1 34 ASP OD2 O -15.088 6.456 0.350 1.00 . A A . 33 ASP OD2 1 1 8 4305 1 1 35 TYR C C -15.384 0.037 3.238 1.00 . A A . 34 TYR C 1 1 8 4306 1 1 35 TYR CA C -14.804 0.554 1.923 1.00 . A A . 34 TYR CA 1 1 8 4307 1 1 35 TYR CB C -13.830 -0.467 1.322 1.00 . A A . 34 TYR CB 1 1 8 4308 1 1 35 TYR CD1 C -15.406 -1.826 -0.086 1.00 . A A . 34 TYR CD1 1 1 8 4309 1 1 35 TYR CD2 C -14.132 -2.958 1.576 1.00 . A A . 34 TYR CD2 1 1 8 4310 1 1 35 TYR CE1 C -15.995 -3.015 -0.453 1.00 . A A . 34 TYR CE1 1 1 8 4311 1 1 35 TYR CE2 C -14.715 -4.154 1.215 1.00 . A A . 34 TYR CE2 1 1 8 4312 1 1 35 TYR CG C -14.470 -1.775 0.932 1.00 . A A . 34 TYR CG 1 1 8 4313 1 1 35 TYR CZ C -15.648 -4.178 0.200 1.00 . A A . 34 TYR CZ 1 1 8 4314 1 1 35 TYR H H -13.151 1.814 2.279 1.00 . A A . 34 TYR H 1 1 8 4315 1 1 35 TYR HA H -15.610 0.721 1.226 1.00 . A A . 34 TYR HA 1 1 8 4316 1 1 35 TYR HB2 H -13.380 -0.046 0.435 1.00 . A A . 34 TYR HB2 1 1 8 4317 1 1 35 TYR HB3 H -13.056 -0.679 2.044 1.00 . A A . 34 TYR HB3 1 1 8 4318 1 1 35 TYR HD1 H -15.677 -0.914 -0.595 1.00 . A A . 34 TYR HD1 1 1 8 4319 1 1 35 TYR HD2 H -13.401 -2.935 2.368 1.00 . A A . 34 TYR HD2 1 1 8 4320 1 1 35 TYR HE1 H -16.717 -3.032 -1.251 1.00 . A A . 34 TYR HE1 1 1 8 4321 1 1 35 TYR HE2 H -14.441 -5.062 1.727 1.00 . A A . 34 TYR HE2 1 1 8 4322 1 1 35 TYR HH H -16.423 -5.354 -1.109 1.00 . A A . 34 TYR HH 1 1 8 4323 1 1 35 TYR N N -14.120 1.820 2.129 1.00 . A A . 34 TYR N 1 1 8 4324 1 1 35 TYR O O -14.774 -0.781 3.929 1.00 . A A . 34 TYR O 1 1 8 4325 1 1 35 TYR OH O -16.232 -5.368 -0.164 1.00 . A A . 34 TYR OH 1 1 8 4326 1 1 36 NH2 HN1 H -16.984 1.181 2.989 1.00 . A A . 35 NH2 HN1 1 1 8 4327 1 1 36 NH2 HN2 H -16.961 0.216 4.423 1.00 . A A . 35 NH2 HN2 1 1 8 4328 1 1 36 NH2 N N -16.561 0.526 3.585 1.00 . A A . 35 NH2 N 1 1 9 4329 1 1 1 ACE C C -13.703 -3.924 -3.554 1.00 . A A . 0 ACE C 1 1 9 4330 1 1 1 ACE CH3 C -14.365 -2.689 -3.015 1.00 . A A . 0 ACE CH3 1 1 9 4331 1 1 1 ACE H1 H -13.607 -1.931 -2.851 1.00 . A A . 0 ACE H1 1 1 9 4332 1 1 1 ACE H2 H -14.848 -2.920 -2.084 1.00 . A A . 0 ACE H2 1 1 9 4333 1 1 1 ACE H3 H -15.107 -2.352 -3.730 1.00 . A A . 0 ACE H3 1 1 9 4334 1 1 1 ACE O O -13.477 -4.044 -4.760 1.00 . A A . 0 ACE O 1 1 9 4335 1 1 2 PRO C C -11.019 -4.270 -2.176 1.00 . A A . 1 PRO C 1 1 9 4336 1 1 2 PRO CA C -12.381 -4.663 -1.610 1.00 . A A . 1 PRO CA 1 1 9 4337 1 1 2 PRO CB C -12.295 -6.025 -0.905 1.00 . A A . 1 PRO CB 1 1 9 4338 1 1 2 PRO CD C -13.940 -6.229 -2.634 1.00 . A A . 1 PRO CD 1 1 9 4339 1 1 2 PRO CG C -12.929 -7.003 -1.833 1.00 . A A . 1 PRO CG 1 1 9 4340 1 1 2 PRO HA H -12.711 -3.911 -0.909 1.00 . A A . 1 PRO HA 1 1 9 4341 1 1 2 PRO HB2 H -11.257 -6.279 -0.730 1.00 . A A . 1 PRO HB2 1 1 9 4342 1 1 2 PRO HB3 H -12.834 -5.997 0.027 1.00 . A A . 1 PRO HB3 1 1 9 4343 1 1 2 PRO HD2 H -14.029 -6.635 -3.633 1.00 . A A . 1 PRO HD2 1 1 9 4344 1 1 2 PRO HD3 H -14.900 -6.229 -2.138 1.00 . A A . 1 PRO HD3 1 1 9 4345 1 1 2 PRO HG2 H -12.175 -7.431 -2.480 1.00 . A A . 1 PRO HG2 1 1 9 4346 1 1 2 PRO HG3 H -13.422 -7.777 -1.265 1.00 . A A . 1 PRO HG3 1 1 9 4347 1 1 2 PRO N N -13.371 -4.875 -2.670 1.00 . A A . 1 PRO N 1 1 9 4348 1 1 2 PRO O O -10.561 -4.852 -3.164 1.00 . A A . 1 PRO O 1 1 9 4349 1 1 3 PRO C C -7.974 -3.879 -1.881 1.00 . A A . 2 PRO C 1 1 9 4350 1 1 3 PRO CA C -9.047 -2.808 -2.027 1.00 . A A . 2 PRO CA 1 1 9 4351 1 1 3 PRO CB C -8.734 -1.623 -1.110 1.00 . A A . 2 PRO CB 1 1 9 4352 1 1 3 PRO CD C -10.839 -2.512 -0.401 1.00 . A A . 2 PRO CD 1 1 9 4353 1 1 3 PRO CG C -9.604 -1.802 0.084 1.00 . A A . 2 PRO CG 1 1 9 4354 1 1 3 PRO HA H -9.084 -2.473 -3.053 1.00 . A A . 2 PRO HA 1 1 9 4355 1 1 3 PRO HB2 H -7.686 -1.643 -0.831 1.00 . A A . 2 PRO HB2 1 1 9 4356 1 1 3 PRO HB3 H -8.973 -0.696 -1.608 1.00 . A A . 2 PRO HB3 1 1 9 4357 1 1 3 PRO HD2 H -11.217 -3.178 0.361 1.00 . A A . 2 PRO HD2 1 1 9 4358 1 1 3 PRO HD3 H -11.598 -1.799 -0.689 1.00 . A A . 2 PRO HD3 1 1 9 4359 1 1 3 PRO HG2 H -9.088 -2.397 0.827 1.00 . A A . 2 PRO HG2 1 1 9 4360 1 1 3 PRO HG3 H -9.867 -0.839 0.492 1.00 . A A . 2 PRO HG3 1 1 9 4361 1 1 3 PRO N N -10.360 -3.271 -1.571 1.00 . A A . 2 PRO N 1 1 9 4362 1 1 3 PRO O O -7.999 -4.677 -0.942 1.00 . A A . 2 PRO O 1 1 9 4363 1 1 4 THR C C -4.739 -4.202 -2.089 1.00 . A A . 3 THR C 1 1 9 4364 1 1 4 THR CA C -5.941 -4.841 -2.772 1.00 . A A . 3 THR CA 1 1 9 4365 1 1 4 THR CB C -5.560 -5.300 -4.188 1.00 . A A . 3 THR CB 1 1 9 4366 1 1 4 THR CG2 C -4.545 -6.431 -4.141 1.00 . A A . 3 THR CG2 1 1 9 4367 1 1 4 THR H H -7.092 -3.265 -3.563 1.00 . A A . 3 THR H 1 1 9 4368 1 1 4 THR HA H -6.254 -5.703 -2.204 1.00 . A A . 3 THR HA 1 1 9 4369 1 1 4 THR HB H -5.127 -4.466 -4.717 1.00 . A A . 3 THR HB 1 1 9 4370 1 1 4 THR HG1 H -7.383 -6.062 -4.238 1.00 . A A . 3 THR HG1 1 1 9 4371 1 1 4 THR HG21 H -4.970 -7.274 -3.616 1.00 . A A . 3 THR HG21 1 1 9 4372 1 1 4 THR HG22 H -3.657 -6.096 -3.623 1.00 . A A . 3 THR HG22 1 1 9 4373 1 1 4 THR HG23 H -4.285 -6.726 -5.147 1.00 . A A . 3 THR HG23 1 1 9 4374 1 1 4 THR N N -7.042 -3.902 -2.818 1.00 . A A . 3 THR N 1 1 9 4375 1 1 4 THR O O -4.420 -3.036 -2.340 1.00 . A A . 3 THR O 1 1 9 4376 1 1 4 THR OG1 O -6.736 -5.740 -4.882 1.00 . A A . 3 THR OG1 1 1 9 4377 1 1 5 LYS C C -1.771 -4.218 -1.420 1.00 . A A . 4 LYS C 1 1 9 4378 1 1 5 LYS CA C -2.941 -4.473 -0.473 1.00 . A A . 4 LYS CA 1 1 9 4379 1 1 5 LYS CB C -2.555 -5.493 0.599 1.00 . A A . 4 LYS CB 1 1 9 4380 1 1 5 LYS CD C -3.347 -6.897 2.535 1.00 . A A . 4 LYS CD 1 1 9 4381 1 1 5 LYS CE C -2.025 -6.761 3.270 1.00 . A A . 4 LYS CE 1 1 9 4382 1 1 5 LYS CG C -3.632 -5.695 1.650 1.00 . A A . 4 LYS CG 1 1 9 4383 1 1 5 LYS H H -4.408 -5.876 -1.060 1.00 . A A . 4 LYS H 1 1 9 4384 1 1 5 LYS HA H -3.219 -3.544 0.005 1.00 . A A . 4 LYS HA 1 1 9 4385 1 1 5 LYS HB2 H -2.363 -6.444 0.123 1.00 . A A . 4 LYS HB2 1 1 9 4386 1 1 5 LYS HB3 H -1.655 -5.156 1.095 1.00 . A A . 4 LYS HB3 1 1 9 4387 1 1 5 LYS HD2 H -4.140 -6.989 3.261 1.00 . A A . 4 LYS HD2 1 1 9 4388 1 1 5 LYS HD3 H -3.317 -7.784 1.918 1.00 . A A . 4 LYS HD3 1 1 9 4389 1 1 5 LYS HE2 H -1.229 -6.707 2.543 1.00 . A A . 4 LYS HE2 1 1 9 4390 1 1 5 LYS HE3 H -2.044 -5.850 3.851 1.00 . A A . 4 LYS HE3 1 1 9 4391 1 1 5 LYS HG2 H -3.686 -4.813 2.270 1.00 . A A . 4 LYS HG2 1 1 9 4392 1 1 5 LYS HG3 H -4.579 -5.842 1.152 1.00 . A A . 4 LYS HG3 1 1 9 4393 1 1 5 LYS HZ1 H -2.500 -7.944 4.925 1.00 . A A . 4 LYS HZ1 1 1 9 4394 1 1 5 LYS HZ2 H -0.841 -7.816 4.622 1.00 . A A . 4 LYS HZ2 1 1 9 4395 1 1 5 LYS HZ3 H -1.802 -8.803 3.642 1.00 . A A . 4 LYS HZ3 1 1 9 4396 1 1 5 LYS N N -4.098 -4.957 -1.211 1.00 . A A . 4 LYS N 1 1 9 4397 1 1 5 LYS NZ N -1.776 -7.911 4.177 1.00 . A A . 4 LYS NZ 1 1 9 4398 1 1 5 LYS O O -1.690 -4.835 -2.485 1.00 . A A . 4 LYS O 1 1 9 4399 1 1 6 PRO C C 1.121 -4.164 -2.276 1.00 . A A . 5 PRO C 1 1 9 4400 1 1 6 PRO CA C 0.292 -2.945 -1.892 1.00 . A A . 5 PRO CA 1 1 9 4401 1 1 6 PRO CB C 1.117 -1.997 -1.013 1.00 . A A . 5 PRO CB 1 1 9 4402 1 1 6 PRO CD C -0.903 -2.478 0.166 1.00 . A A . 5 PRO CD 1 1 9 4403 1 1 6 PRO CG C 0.543 -2.115 0.357 1.00 . A A . 5 PRO CG 1 1 9 4404 1 1 6 PRO HA H -0.011 -2.428 -2.791 1.00 . A A . 5 PRO HA 1 1 9 4405 1 1 6 PRO HB2 H 2.156 -2.303 -1.026 1.00 . A A . 5 PRO HB2 1 1 9 4406 1 1 6 PRO HB3 H 1.019 -0.984 -1.371 1.00 . A A . 5 PRO HB3 1 1 9 4407 1 1 6 PRO HD2 H -1.268 -3.058 1.005 1.00 . A A . 5 PRO HD2 1 1 9 4408 1 1 6 PRO HD3 H -1.504 -1.589 0.024 1.00 . A A . 5 PRO HD3 1 1 9 4409 1 1 6 PRO HG2 H 1.063 -2.895 0.905 1.00 . A A . 5 PRO HG2 1 1 9 4410 1 1 6 PRO HG3 H 0.627 -1.171 0.871 1.00 . A A . 5 PRO HG3 1 1 9 4411 1 1 6 PRO N N -0.867 -3.286 -1.062 1.00 . A A . 5 PRO N 1 1 9 4412 1 1 6 PRO O O 1.674 -4.856 -1.420 1.00 . A A . 5 PRO O 1 1 9 4413 1 1 7 THR C C 3.428 -5.234 -4.153 1.00 . A A . 6 THR C 1 1 9 4414 1 1 7 THR CA C 1.935 -5.547 -4.097 1.00 . A A . 6 THR CA 1 1 9 4415 1 1 7 THR CB C 1.428 -5.909 -5.504 1.00 . A A . 6 THR CB 1 1 9 4416 1 1 7 THR CG2 C 1.947 -7.269 -5.944 1.00 . A A . 6 THR CG2 1 1 9 4417 1 1 7 THR H H 0.743 -3.812 -4.199 1.00 . A A . 6 THR H 1 1 9 4418 1 1 7 THR HA H 1.772 -6.390 -3.446 1.00 . A A . 6 THR HA 1 1 9 4419 1 1 7 THR HB H 1.779 -5.161 -6.197 1.00 . A A . 6 THR HB 1 1 9 4420 1 1 7 THR HG1 H -0.324 -6.502 -4.802 1.00 . A A . 6 THR HG1 1 1 9 4421 1 1 7 THR HG21 H 1.577 -7.492 -6.933 1.00 . A A . 6 THR HG21 1 1 9 4422 1 1 7 THR HG22 H 1.606 -8.024 -5.252 1.00 . A A . 6 THR HG22 1 1 9 4423 1 1 7 THR HG23 H 3.026 -7.253 -5.957 1.00 . A A . 6 THR HG23 1 1 9 4424 1 1 7 THR N N 1.198 -4.414 -3.573 1.00 . A A . 6 THR N 1 1 9 4425 1 1 7 THR O O 4.263 -6.132 -4.292 1.00 . A A . 6 THR O 1 1 9 4426 1 1 7 THR OG1 O -0.007 -5.924 -5.513 1.00 . A A . 6 THR OG1 1 1 9 4427 1 1 8 LYS C C 5.951 -4.105 -2.958 1.00 . A A . 7 LYS C 1 1 9 4428 1 1 8 LYS CA C 5.131 -3.480 -4.085 1.00 . A A . 7 LYS CA 1 1 9 4429 1 1 8 LYS CB C 5.178 -1.950 -3.972 1.00 . A A . 7 LYS CB 1 1 9 4430 1 1 8 LYS CD C 4.487 0.284 -4.897 1.00 . A A . 7 LYS CD 1 1 9 4431 1 1 8 LYS CE C 3.483 1.027 -5.770 1.00 . A A . 7 LYS CE 1 1 9 4432 1 1 8 LYS CG C 4.331 -1.228 -5.009 1.00 . A A . 7 LYS CG 1 1 9 4433 1 1 8 LYS H H 3.032 -3.293 -3.923 1.00 . A A . 7 LYS H 1 1 9 4434 1 1 8 LYS HA H 5.553 -3.778 -5.029 1.00 . A A . 7 LYS HA 1 1 9 4435 1 1 8 LYS HB2 H 4.828 -1.664 -2.992 1.00 . A A . 7 LYS HB2 1 1 9 4436 1 1 8 LYS HB3 H 6.200 -1.625 -4.086 1.00 . A A . 7 LYS HB3 1 1 9 4437 1 1 8 LYS HD2 H 4.338 0.576 -3.868 1.00 . A A . 7 LYS HD2 1 1 9 4438 1 1 8 LYS HD3 H 5.487 0.556 -5.205 1.00 . A A . 7 LYS HD3 1 1 9 4439 1 1 8 LYS HE2 H 2.489 0.833 -5.396 1.00 . A A . 7 LYS HE2 1 1 9 4440 1 1 8 LYS HE3 H 3.687 2.086 -5.706 1.00 . A A . 7 LYS HE3 1 1 9 4441 1 1 8 LYS HG2 H 4.641 -1.539 -5.998 1.00 . A A . 7 LYS HG2 1 1 9 4442 1 1 8 LYS HG3 H 3.293 -1.488 -4.857 1.00 . A A . 7 LYS HG3 1 1 9 4443 1 1 8 LYS HZ1 H 2.841 1.130 -7.752 1.00 . A A . 7 LYS HZ1 1 1 9 4444 1 1 8 LYS HZ2 H 3.358 -0.411 -7.283 1.00 . A A . 7 LYS HZ2 1 1 9 4445 1 1 8 LYS HZ3 H 4.494 0.807 -7.586 1.00 . A A . 7 LYS HZ3 1 1 9 4446 1 1 8 LYS N N 3.749 -3.947 -4.041 1.00 . A A . 7 LYS N 1 1 9 4447 1 1 8 LYS NZ N 3.550 0.609 -7.197 1.00 . A A . 7 LYS NZ 1 1 9 4448 1 1 8 LYS O O 5.403 -4.473 -1.918 1.00 . A A . 7 LYS O 1 1 9 4449 1 1 9 PRO C C 8.195 -3.966 -0.874 1.00 . A A . 8 PRO C 1 1 9 4450 1 1 9 PRO CA C 8.165 -4.811 -2.142 1.00 . A A . 8 PRO CA 1 1 9 4451 1 1 9 PRO CB C 9.538 -4.810 -2.818 1.00 . A A . 8 PRO CB 1 1 9 4452 1 1 9 PRO CD C 7.995 -3.882 -4.386 1.00 . A A . 8 PRO CD 1 1 9 4453 1 1 9 PRO CG C 9.428 -3.826 -3.929 1.00 . A A . 8 PRO CG 1 1 9 4454 1 1 9 PRO HA H 7.886 -5.823 -1.889 1.00 . A A . 8 PRO HA 1 1 9 4455 1 1 9 PRO HB2 H 10.294 -4.506 -2.106 1.00 . A A . 8 PRO HB2 1 1 9 4456 1 1 9 PRO HB3 H 9.760 -5.789 -3.208 1.00 . A A . 8 PRO HB3 1 1 9 4457 1 1 9 PRO HD2 H 7.671 -2.915 -4.750 1.00 . A A . 8 PRO HD2 1 1 9 4458 1 1 9 PRO HD3 H 7.865 -4.639 -5.148 1.00 . A A . 8 PRO HD3 1 1 9 4459 1 1 9 PRO HG2 H 9.675 -2.838 -3.562 1.00 . A A . 8 PRO HG2 1 1 9 4460 1 1 9 PRO HG3 H 10.088 -4.106 -4.737 1.00 . A A . 8 PRO HG3 1 1 9 4461 1 1 9 PRO N N 7.270 -4.249 -3.157 1.00 . A A . 8 PRO N 1 1 9 4462 1 1 9 PRO O O 8.455 -2.762 -0.919 1.00 . A A . 8 PRO O 1 1 9 4463 1 1 10 GLY C C 8.355 -4.746 2.665 1.00 . A A . 9 GLY C 1 1 9 4464 1 1 10 GLY CA C 7.890 -3.891 1.510 1.00 . A A . 9 GLY CA 1 1 9 4465 1 1 10 GLY H H 7.743 -5.563 0.227 1.00 . A A . 9 GLY H 1 1 9 4466 1 1 10 GLY HA2 H 8.530 -3.024 1.438 1.00 . A A . 9 GLY HA2 1 1 9 4467 1 1 10 GLY HA3 H 6.880 -3.567 1.701 1.00 . A A . 9 GLY HA3 1 1 9 4468 1 1 10 GLY N N 7.924 -4.601 0.253 1.00 . A A . 9 GLY N 1 1 9 4469 1 1 10 GLY O O 8.008 -4.492 3.816 1.00 . A A . 9 GLY O 1 1 9 4470 1 1 11 ASP C C 11.170 -6.619 3.420 1.00 . A A . 10 ASP C 1 1 9 4471 1 1 11 ASP CA C 9.653 -6.670 3.372 1.00 . A A . 10 ASP CA 1 1 9 4472 1 1 11 ASP CB C 9.186 -8.101 3.104 1.00 . A A . 10 ASP CB 1 1 9 4473 1 1 11 ASP CG C 7.700 -8.281 3.327 1.00 . A A . 10 ASP CG 1 1 9 4474 1 1 11 ASP H H 9.385 -5.903 1.415 1.00 . A A . 10 ASP H 1 1 9 4475 1 1 11 ASP HA H 9.266 -6.347 4.325 1.00 . A A . 10 ASP HA 1 1 9 4476 1 1 11 ASP HB2 H 9.410 -8.361 2.082 1.00 . A A . 10 ASP HB2 1 1 9 4477 1 1 11 ASP HB3 H 9.713 -8.771 3.764 1.00 . A A . 10 ASP HB3 1 1 9 4478 1 1 11 ASP N N 9.140 -5.761 2.354 1.00 . A A . 10 ASP N 1 1 9 4479 1 1 11 ASP O O 11.766 -6.504 4.489 1.00 . A A . 10 ASP O 1 1 9 4480 1 1 11 ASP OD1 O 7.292 -8.556 4.473 1.00 . A A . 10 ASP OD1 1 1 9 4481 1 1 11 ASP OD2 O 6.928 -8.145 2.356 1.00 . A A . 10 ASP OD2 1 1 9 4482 1 1 12 ASN C C 13.624 -5.544 1.145 1.00 . A A . 11 ASN C 1 1 9 4483 1 1 12 ASN CA C 13.238 -6.638 2.129 1.00 . A A . 11 ASN CA 1 1 9 4484 1 1 12 ASN CB C 13.811 -7.981 1.663 1.00 . A A . 11 ASN CB 1 1 9 4485 1 1 12 ASN CG C 13.645 -9.089 2.690 1.00 . A A . 11 ASN CG 1 1 9 4486 1 1 12 ASN H H 11.246 -6.813 1.439 1.00 . A A . 11 ASN H 1 1 9 4487 1 1 12 ASN HA H 13.643 -6.395 3.099 1.00 . A A . 11 ASN HA 1 1 9 4488 1 1 12 ASN HB2 H 13.312 -8.281 0.754 1.00 . A A . 11 ASN HB2 1 1 9 4489 1 1 12 ASN HB3 H 14.866 -7.860 1.464 1.00 . A A . 11 ASN HB3 1 1 9 4490 1 1 12 ASN HD21 H 13.572 -10.451 1.248 1.00 . A A . 11 ASN HD21 1 1 9 4491 1 1 12 ASN HD22 H 13.445 -11.057 2.862 1.00 . A A . 11 ASN HD22 1 1 9 4492 1 1 12 ASN N N 11.785 -6.704 2.250 1.00 . A A . 11 ASN N 1 1 9 4493 1 1 12 ASN ND2 N 13.540 -10.321 2.220 1.00 . A A . 11 ASN ND2 1 1 9 4494 1 1 12 ASN O O 14.533 -5.706 0.327 1.00 . A A . 11 ASN O 1 1 9 4495 1 1 12 ASN OD1 O 13.612 -8.840 3.896 1.00 . A A . 11 ASN OD1 1 1 9 4496 1 1 13 ALA C C 13.833 -2.151 1.021 1.00 . A A . 12 ALA C 1 1 9 4497 1 1 13 ALA CA C 13.136 -3.313 0.324 1.00 . A A . 12 ALA CA 1 1 9 4498 1 1 13 ALA CB C 11.808 -2.864 -0.256 1.00 . A A . 12 ALA CB 1 1 9 4499 1 1 13 ALA H H 12.258 -4.337 1.944 1.00 . A A . 12 ALA H 1 1 9 4500 1 1 13 ALA HA H 13.760 -3.657 -0.486 1.00 . A A . 12 ALA HA 1 1 9 4501 1 1 13 ALA HB1 H 11.984 -2.180 -1.072 1.00 . A A . 12 ALA HB1 1 1 9 4502 1 1 13 ALA HB2 H 11.230 -2.371 0.510 1.00 . A A . 12 ALA HB2 1 1 9 4503 1 1 13 ALA HB3 H 11.266 -3.724 -0.617 1.00 . A A . 12 ALA HB3 1 1 9 4504 1 1 13 ALA N N 12.928 -4.423 1.236 1.00 . A A . 12 ALA N 1 1 9 4505 1 1 13 ALA O O 13.768 -2.018 2.245 1.00 . A A . 12 ALA O 1 1 9 4506 1 1 14 THR C C 14.236 0.865 1.325 1.00 . A A . 13 THR C 1 1 9 4507 1 1 14 THR CA C 15.206 -0.159 0.747 1.00 . A A . 13 THR CA 1 1 9 4508 1 1 14 THR CB C 16.035 0.498 -0.369 1.00 . A A . 13 THR CB 1 1 9 4509 1 1 14 THR CG2 C 17.174 -0.409 -0.793 1.00 . A A . 13 THR CG2 1 1 9 4510 1 1 14 THR H H 14.513 -1.495 -0.731 1.00 . A A . 13 THR H 1 1 9 4511 1 1 14 THR HA H 15.879 -0.482 1.525 1.00 . A A . 13 THR HA 1 1 9 4512 1 1 14 THR HB H 16.449 1.421 0.004 1.00 . A A . 13 THR HB 1 1 9 4513 1 1 14 THR HG1 H 15.726 0.752 -2.301 1.00 . A A . 13 THR HG1 1 1 9 4514 1 1 14 THR HG21 H 17.716 0.050 -1.606 1.00 . A A . 13 THR HG21 1 1 9 4515 1 1 14 THR HG22 H 16.773 -1.359 -1.115 1.00 . A A . 13 THR HG22 1 1 9 4516 1 1 14 THR HG23 H 17.838 -0.563 0.043 1.00 . A A . 13 THR HG23 1 1 9 4517 1 1 14 THR N N 14.499 -1.322 0.234 1.00 . A A . 13 THR N 1 1 9 4518 1 1 14 THR O O 13.066 0.892 0.949 1.00 . A A . 13 THR O 1 1 9 4519 1 1 14 THR OG1 O 15.197 0.781 -1.496 1.00 . A A . 13 THR OG1 1 1 9 4520 1 1 15 PRO C C 13.266 3.686 1.803 1.00 . A A . 14 PRO C 1 1 9 4521 1 1 15 PRO CA C 13.874 2.765 2.855 1.00 . A A . 14 PRO CA 1 1 9 4522 1 1 15 PRO CB C 14.848 3.539 3.757 1.00 . A A . 14 PRO CB 1 1 9 4523 1 1 15 PRO CD C 16.075 1.737 2.784 1.00 . A A . 14 PRO CD 1 1 9 4524 1 1 15 PRO CG C 16.209 3.136 3.320 1.00 . A A . 14 PRO CG 1 1 9 4525 1 1 15 PRO HA H 13.085 2.339 3.452 1.00 . A A . 14 PRO HA 1 1 9 4526 1 1 15 PRO HB2 H 14.703 4.602 3.626 1.00 . A A . 14 PRO HB2 1 1 9 4527 1 1 15 PRO HB3 H 14.699 3.265 4.788 1.00 . A A . 14 PRO HB3 1 1 9 4528 1 1 15 PRO HD2 H 16.798 1.557 2.005 1.00 . A A . 14 PRO HD2 1 1 9 4529 1 1 15 PRO HD3 H 16.184 1.011 3.575 1.00 . A A . 14 PRO HD3 1 1 9 4530 1 1 15 PRO HG2 H 16.555 3.817 2.547 1.00 . A A . 14 PRO HG2 1 1 9 4531 1 1 15 PRO HG3 H 16.882 3.144 4.165 1.00 . A A . 14 PRO HG3 1 1 9 4532 1 1 15 PRO N N 14.706 1.722 2.248 1.00 . A A . 14 PRO N 1 1 9 4533 1 1 15 PRO O O 12.131 4.146 1.942 1.00 . A A . 14 PRO O 1 1 9 4534 1 1 16 GLU C C 12.397 4.073 -1.074 1.00 . A A . 15 GLU C 1 1 9 4535 1 1 16 GLU CA C 13.567 4.751 -0.366 1.00 . A A . 15 GLU CA 1 1 9 4536 1 1 16 GLU CB C 14.715 4.990 -1.346 1.00 . A A . 15 GLU CB 1 1 9 4537 1 1 16 GLU CD C 15.490 6.066 -3.494 1.00 . A A . 15 GLU CD 1 1 9 4538 1 1 16 GLU CG C 14.354 5.904 -2.508 1.00 . A A . 15 GLU CG 1 1 9 4539 1 1 16 GLU H H 14.927 3.545 0.706 1.00 . A A . 15 GLU H 1 1 9 4540 1 1 16 GLU HA H 13.237 5.696 0.033 1.00 . A A . 15 GLU HA 1 1 9 4541 1 1 16 GLU HB2 H 15.540 5.437 -0.809 1.00 . A A . 15 GLU HB2 1 1 9 4542 1 1 16 GLU HB3 H 15.033 4.039 -1.747 1.00 . A A . 15 GLU HB3 1 1 9 4543 1 1 16 GLU HG2 H 13.500 5.491 -3.028 1.00 . A A . 15 GLU HG2 1 1 9 4544 1 1 16 GLU HG3 H 14.097 6.876 -2.116 1.00 . A A . 15 GLU HG3 1 1 9 4545 1 1 16 GLU N N 14.027 3.932 0.743 1.00 . A A . 15 GLU N 1 1 9 4546 1 1 16 GLU O O 11.420 4.719 -1.454 1.00 . A A . 15 GLU O 1 1 9 4547 1 1 16 GLU OE1 O 15.606 5.231 -4.415 1.00 . A A . 15 GLU OE1 1 1 9 4548 1 1 16 GLU OE2 O 16.273 7.032 -3.360 1.00 . A A . 15 GLU OE2 1 1 9 4549 1 1 17 LYS C C 10.274 1.791 -0.965 1.00 . A A . 16 LYS C 1 1 9 4550 1 1 17 LYS CA C 11.480 1.967 -1.883 1.00 . A A . 16 LYS CA 1 1 9 4551 1 1 17 LYS CB C 12.059 0.604 -2.270 1.00 . A A . 16 LYS CB 1 1 9 4552 1 1 17 LYS CD C 11.056 0.437 -4.564 1.00 . A A . 16 LYS CD 1 1 9 4553 1 1 17 LYS CE C 10.363 -0.475 -5.562 1.00 . A A . 16 LYS CE 1 1 9 4554 1 1 17 LYS CG C 11.174 -0.214 -3.197 1.00 . A A . 16 LYS CG 1 1 9 4555 1 1 17 LYS H H 13.296 2.305 -0.866 1.00 . A A . 16 LYS H 1 1 9 4556 1 1 17 LYS HA H 11.170 2.493 -2.773 1.00 . A A . 16 LYS HA 1 1 9 4557 1 1 17 LYS HB2 H 13.009 0.757 -2.763 1.00 . A A . 16 LYS HB2 1 1 9 4558 1 1 17 LYS HB3 H 12.223 0.033 -1.368 1.00 . A A . 16 LYS HB3 1 1 9 4559 1 1 17 LYS HD2 H 10.484 1.348 -4.470 1.00 . A A . 16 LYS HD2 1 1 9 4560 1 1 17 LYS HD3 H 12.046 0.668 -4.929 1.00 . A A . 16 LYS HD3 1 1 9 4561 1 1 17 LYS HE2 H 10.918 -1.399 -5.632 1.00 . A A . 16 LYS HE2 1 1 9 4562 1 1 17 LYS HE3 H 9.364 -0.681 -5.207 1.00 . A A . 16 LYS HE3 1 1 9 4563 1 1 17 LYS HG2 H 11.602 -1.199 -3.312 1.00 . A A . 16 LYS HG2 1 1 9 4564 1 1 17 LYS HG3 H 10.190 -0.295 -2.760 1.00 . A A . 16 LYS HG3 1 1 9 4565 1 1 17 LYS HZ1 H 9.672 0.986 -6.881 1.00 . A A . 16 LYS HZ1 1 1 9 4566 1 1 17 LYS HZ2 H 9.877 -0.537 -7.589 1.00 . A A . 16 LYS HZ2 1 1 9 4567 1 1 17 LYS HZ3 H 11.227 0.419 -7.238 1.00 . A A . 16 LYS HZ3 1 1 9 4568 1 1 17 LYS N N 12.503 2.759 -1.220 1.00 . A A . 16 LYS N 1 1 9 4569 1 1 17 LYS NZ N 10.280 0.141 -6.911 1.00 . A A . 16 LYS NZ 1 1 9 4570 1 1 17 LYS O O 9.125 1.791 -1.416 1.00 . A A . 16 LYS O 1 1 9 4571 1 1 18 LEU C C 8.600 2.743 1.359 1.00 . A A . 17 LEU C 1 1 9 4572 1 1 18 LEU CA C 9.498 1.518 1.331 1.00 . A A . 17 LEU CA 1 1 9 4573 1 1 18 LEU CB C 10.091 1.297 2.724 1.00 . A A . 17 LEU CB 1 1 9 4574 1 1 18 LEU CD1 C 11.289 -0.149 4.373 1.00 . A A . 17 LEU CD1 1 1 9 4575 1 1 18 LEU CD2 C 9.908 -1.193 2.568 1.00 . A A . 17 LEU CD2 1 1 9 4576 1 1 18 LEU CG C 10.816 -0.031 2.933 1.00 . A A . 17 LEU CG 1 1 9 4577 1 1 18 LEU H H 11.487 1.628 0.621 1.00 . A A . 17 LEU H 1 1 9 4578 1 1 18 LEU HA H 8.906 0.659 1.064 1.00 . A A . 17 LEU HA 1 1 9 4579 1 1 18 LEU HB2 H 10.789 2.094 2.920 1.00 . A A . 17 LEU HB2 1 1 9 4580 1 1 18 LEU HB3 H 9.292 1.362 3.444 1.00 . A A . 17 LEU HB3 1 1 9 4581 1 1 18 LEU HD11 H 11.891 0.710 4.624 1.00 . A A . 17 LEU HD11 1 1 9 4582 1 1 18 LEU HD12 H 11.877 -1.045 4.486 1.00 . A A . 17 LEU HD12 1 1 9 4583 1 1 18 LEU HD13 H 10.433 -0.196 5.030 1.00 . A A . 17 LEU HD13 1 1 9 4584 1 1 18 LEU HD21 H 8.985 -1.117 3.124 1.00 . A A . 17 LEU HD21 1 1 9 4585 1 1 18 LEU HD22 H 10.398 -2.123 2.812 1.00 . A A . 17 LEU HD22 1 1 9 4586 1 1 18 LEU HD23 H 9.695 -1.165 1.510 1.00 . A A . 17 LEU HD23 1 1 9 4587 1 1 18 LEU HG H 11.685 -0.067 2.291 1.00 . A A . 17 LEU HG 1 1 9 4588 1 1 18 LEU N N 10.547 1.656 0.332 1.00 . A A . 17 LEU N 1 1 9 4589 1 1 18 LEU O O 7.433 2.651 1.722 1.00 . A A . 17 LEU O 1 1 9 4590 1 1 19 ALA C C 7.232 5.005 -0.053 1.00 . A A . 18 ALA C 1 1 9 4591 1 1 19 ALA CA C 8.379 5.118 0.942 1.00 . A A . 18 ALA CA 1 1 9 4592 1 1 19 ALA CB C 9.278 6.288 0.592 1.00 . A A . 18 ALA CB 1 1 9 4593 1 1 19 ALA H H 10.091 3.907 0.722 1.00 . A A . 18 ALA H 1 1 9 4594 1 1 19 ALA HA H 7.973 5.285 1.927 1.00 . A A . 18 ALA HA 1 1 9 4595 1 1 19 ALA HB1 H 9.681 6.143 -0.399 1.00 . A A . 18 ALA HB1 1 1 9 4596 1 1 19 ALA HB2 H 10.085 6.345 1.305 1.00 . A A . 18 ALA HB2 1 1 9 4597 1 1 19 ALA HB3 H 8.704 7.202 0.620 1.00 . A A . 18 ALA HB3 1 1 9 4598 1 1 19 ALA N N 9.147 3.888 0.979 1.00 . A A . 18 ALA N 1 1 9 4599 1 1 19 ALA O O 6.109 5.426 0.224 1.00 . A A . 18 ALA O 1 1 9 4600 1 1 20 LYS C C 5.529 3.118 -1.780 1.00 . A A . 19 LYS C 1 1 9 4601 1 1 20 LYS CA C 6.500 4.207 -2.225 1.00 . A A . 19 LYS CA 1 1 9 4602 1 1 20 LYS CB C 7.159 3.841 -3.557 1.00 . A A . 19 LYS CB 1 1 9 4603 1 1 20 LYS CD C 5.390 5.030 -4.933 1.00 . A A . 19 LYS CD 1 1 9 4604 1 1 20 LYS CE C 6.276 6.255 -5.131 1.00 . A A . 19 LYS CE 1 1 9 4605 1 1 20 LYS CG C 6.197 3.748 -4.736 1.00 . A A . 19 LYS CG 1 1 9 4606 1 1 20 LYS H H 8.433 4.106 -1.372 1.00 . A A . 19 LYS H 1 1 9 4607 1 1 20 LYS HA H 5.957 5.131 -2.340 1.00 . A A . 19 LYS HA 1 1 9 4608 1 1 20 LYS HB2 H 7.902 4.587 -3.787 1.00 . A A . 19 LYS HB2 1 1 9 4609 1 1 20 LYS HB3 H 7.651 2.885 -3.447 1.00 . A A . 19 LYS HB3 1 1 9 4610 1 1 20 LYS HD2 H 4.763 4.913 -5.802 1.00 . A A . 19 LYS HD2 1 1 9 4611 1 1 20 LYS HD3 H 4.769 5.186 -4.062 1.00 . A A . 19 LYS HD3 1 1 9 4612 1 1 20 LYS HE2 H 5.646 7.123 -5.243 1.00 . A A . 19 LYS HE2 1 1 9 4613 1 1 20 LYS HE3 H 6.896 6.377 -4.256 1.00 . A A . 19 LYS HE3 1 1 9 4614 1 1 20 LYS HG2 H 6.765 3.556 -5.632 1.00 . A A . 19 LYS HG2 1 1 9 4615 1 1 20 LYS HG3 H 5.514 2.928 -4.561 1.00 . A A . 19 LYS HG3 1 1 9 4616 1 1 20 LYS HZ1 H 7.821 5.353 -6.210 1.00 . A A . 19 LYS HZ1 1 1 9 4617 1 1 20 LYS HZ2 H 7.691 7.018 -6.462 1.00 . A A . 19 LYS HZ2 1 1 9 4618 1 1 20 LYS HZ3 H 6.576 5.965 -7.179 1.00 . A A . 19 LYS HZ3 1 1 9 4619 1 1 20 LYS N N 7.515 4.412 -1.204 1.00 . A A . 19 LYS N 1 1 9 4620 1 1 20 LYS NZ N 7.151 6.139 -6.330 1.00 . A A . 19 LYS NZ 1 1 9 4621 1 1 20 LYS O O 4.333 3.176 -2.063 1.00 . A A . 19 LYS O 1 1 9 4622 1 1 21 TYR C C 4.268 1.670 0.532 1.00 . A A . 20 TYR C 1 1 9 4623 1 1 21 TYR CA C 5.249 1.078 -0.479 1.00 . A A . 20 TYR CA 1 1 9 4624 1 1 21 TYR CB C 6.168 0.050 0.187 1.00 . A A . 20 TYR CB 1 1 9 4625 1 1 21 TYR CD1 C 4.891 -2.129 0.114 1.00 . A A . 20 TYR CD1 1 1 9 4626 1 1 21 TYR CD2 C 5.341 -1.162 2.246 1.00 . A A . 20 TYR CD2 1 1 9 4627 1 1 21 TYR CE1 C 4.224 -3.173 0.723 1.00 . A A . 20 TYR CE1 1 1 9 4628 1 1 21 TYR CE2 C 4.678 -2.208 2.862 1.00 . A A . 20 TYR CE2 1 1 9 4629 1 1 21 TYR CG C 5.460 -1.105 0.863 1.00 . A A . 20 TYR CG 1 1 9 4630 1 1 21 TYR CZ C 4.199 -3.247 2.114 1.00 . A A . 20 TYR CZ 1 1 9 4631 1 1 21 TYR H H 7.031 2.121 -0.928 1.00 . A A . 20 TYR H 1 1 9 4632 1 1 21 TYR HA H 4.692 0.602 -1.272 1.00 . A A . 20 TYR HA 1 1 9 4633 1 1 21 TYR HB2 H 6.824 -0.364 -0.563 1.00 . A A . 20 TYR HB2 1 1 9 4634 1 1 21 TYR HB3 H 6.763 0.554 0.935 1.00 . A A . 20 TYR HB3 1 1 9 4635 1 1 21 TYR HD1 H 4.975 -2.101 -0.963 1.00 . A A . 20 TYR HD1 1 1 9 4636 1 1 21 TYR HD2 H 5.776 -0.374 2.843 1.00 . A A . 20 TYR HD2 1 1 9 4637 1 1 21 TYR HE1 H 3.789 -3.958 0.122 1.00 . A A . 20 TYR HE1 1 1 9 4638 1 1 21 TYR HE2 H 4.597 -2.235 3.939 1.00 . A A . 20 TYR HE2 1 1 9 4639 1 1 21 TYR HH H 3.719 -5.081 2.304 1.00 . A A . 20 TYR HH 1 1 9 4640 1 1 21 TYR N N 6.059 2.137 -1.064 1.00 . A A . 20 TYR N 1 1 9 4641 1 1 21 TYR O O 3.082 1.347 0.523 1.00 . A A . 20 TYR O 1 1 9 4642 1 1 21 TYR OH O 3.447 -4.246 2.704 1.00 . A A . 20 TYR OH 1 1 9 4643 1 1 22 GLN C C 2.936 4.158 1.683 1.00 . A A . 21 GLN C 1 1 9 4644 1 1 22 GLN CA C 3.948 3.246 2.366 1.00 . A A . 21 GLN CA 1 1 9 4645 1 1 22 GLN CB C 4.814 4.068 3.320 1.00 . A A . 21 GLN CB 1 1 9 4646 1 1 22 GLN CD C 6.515 4.085 5.178 1.00 . A A . 21 GLN CD 1 1 9 4647 1 1 22 GLN CG C 5.685 3.230 4.242 1.00 . A A . 21 GLN CG 1 1 9 4648 1 1 22 GLN H H 5.742 2.742 1.361 1.00 . A A . 21 GLN H 1 1 9 4649 1 1 22 GLN HA H 3.414 2.500 2.934 1.00 . A A . 21 GLN HA 1 1 9 4650 1 1 22 GLN HB2 H 5.459 4.708 2.736 1.00 . A A . 21 GLN HB2 1 1 9 4651 1 1 22 GLN HB3 H 4.171 4.684 3.929 1.00 . A A . 21 GLN HB3 1 1 9 4652 1 1 22 GLN HE21 H 7.929 2.693 5.258 1.00 . A A . 21 GLN HE21 1 1 9 4653 1 1 22 GLN HE22 H 8.231 4.124 6.180 1.00 . A A . 21 GLN HE22 1 1 9 4654 1 1 22 GLN HG2 H 5.051 2.585 4.831 1.00 . A A . 21 GLN HG2 1 1 9 4655 1 1 22 GLN HG3 H 6.350 2.630 3.638 1.00 . A A . 21 GLN HG3 1 1 9 4656 1 1 22 GLN N N 4.774 2.554 1.387 1.00 . A A . 21 GLN N 1 1 9 4657 1 1 22 GLN NE2 N 7.672 3.581 5.580 1.00 . A A . 21 GLN NE2 1 1 9 4658 1 1 22 GLN O O 1.822 4.338 2.170 1.00 . A A . 21 GLN O 1 1 9 4659 1 1 22 GLN OE1 O 6.114 5.191 5.544 1.00 . A A . 21 GLN OE1 1 1 9 4660 1 1 23 ALA C C 1.300 4.813 -0.792 1.00 . A A . 22 ALA C 1 1 9 4661 1 1 23 ALA CA C 2.458 5.607 -0.204 1.00 . A A . 22 ALA CA 1 1 9 4662 1 1 23 ALA CB C 3.237 6.309 -1.304 1.00 . A A . 22 ALA CB 1 1 9 4663 1 1 23 ALA H H 4.247 4.577 0.236 1.00 . A A . 22 ALA H 1 1 9 4664 1 1 23 ALA HA H 2.066 6.356 0.466 1.00 . A A . 22 ALA HA 1 1 9 4665 1 1 23 ALA HB1 H 2.595 7.016 -1.808 1.00 . A A . 22 ALA HB1 1 1 9 4666 1 1 23 ALA HB2 H 3.594 5.577 -2.013 1.00 . A A . 22 ALA HB2 1 1 9 4667 1 1 23 ALA HB3 H 4.078 6.831 -0.872 1.00 . A A . 22 ALA HB3 1 1 9 4668 1 1 23 ALA N N 3.335 4.737 0.558 1.00 . A A . 22 ALA N 1 1 9 4669 1 1 23 ALA O O 0.150 5.254 -0.767 1.00 . A A . 22 ALA O 1 1 9 4670 1 1 24 ASP C C -0.263 2.163 -0.759 1.00 . A A . 23 ASP C 1 1 9 4671 1 1 24 ASP CA C 0.589 2.761 -1.876 1.00 . A A . 23 ASP CA 1 1 9 4672 1 1 24 ASP CB C 1.239 1.656 -2.716 1.00 . A A . 23 ASP CB 1 1 9 4673 1 1 24 ASP CG C 0.259 0.983 -3.658 1.00 . A A . 23 ASP CG 1 1 9 4674 1 1 24 ASP H H 2.547 3.336 -1.300 1.00 . A A . 23 ASP H 1 1 9 4675 1 1 24 ASP HA H -0.042 3.365 -2.510 1.00 . A A . 23 ASP HA 1 1 9 4676 1 1 24 ASP HB2 H 2.035 2.087 -3.309 1.00 . A A . 23 ASP HB2 1 1 9 4677 1 1 24 ASP HB3 H 1.652 0.906 -2.054 1.00 . A A . 23 ASP HB3 1 1 9 4678 1 1 24 ASP N N 1.608 3.629 -1.302 1.00 . A A . 23 ASP N 1 1 9 4679 1 1 24 ASP O O -1.454 1.905 -0.929 1.00 . A A . 23 ASP O 1 1 9 4680 1 1 24 ASP OD1 O -0.253 -0.104 -3.326 1.00 . A A . 23 ASP OD1 1 1 9 4681 1 1 24 ASP OD2 O 0.015 1.533 -4.756 1.00 . A A . 23 ASP OD2 1 1 9 4682 1 1 25 LEU C C -1.326 2.601 2.045 1.00 . A A . 24 LEU C 1 1 9 4683 1 1 25 LEU CA C -0.333 1.526 1.600 1.00 . A A . 24 LEU CA 1 1 9 4684 1 1 25 LEU CB C 0.696 1.204 2.704 1.00 . A A . 24 LEU CB 1 1 9 4685 1 1 25 LEU CD1 C -0.337 1.738 4.936 1.00 . A A . 24 LEU CD1 1 1 9 4686 1 1 25 LEU CD2 C -0.953 -0.379 3.762 1.00 . A A . 24 LEU CD2 1 1 9 4687 1 1 25 LEU CG C 0.155 0.630 4.023 1.00 . A A . 24 LEU CG 1 1 9 4688 1 1 25 LEU H H 1.335 2.112 0.436 1.00 . A A . 24 LEU H 1 1 9 4689 1 1 25 LEU HA H -0.886 0.633 1.358 1.00 . A A . 24 LEU HA 1 1 9 4690 1 1 25 LEU HB2 H 1.409 0.496 2.305 1.00 . A A . 24 LEU HB2 1 1 9 4691 1 1 25 LEU HB3 H 1.223 2.117 2.935 1.00 . A A . 24 LEU HB3 1 1 9 4692 1 1 25 LEU HD11 H 0.479 2.408 5.161 1.00 . A A . 24 LEU HD11 1 1 9 4693 1 1 25 LEU HD12 H -0.715 1.309 5.853 1.00 . A A . 24 LEU HD12 1 1 9 4694 1 1 25 LEU HD13 H -1.127 2.286 4.442 1.00 . A A . 24 LEU HD13 1 1 9 4695 1 1 25 LEU HD21 H -0.555 -1.220 3.215 1.00 . A A . 24 LEU HD21 1 1 9 4696 1 1 25 LEU HD22 H -1.734 0.089 3.183 1.00 . A A . 24 LEU HD22 1 1 9 4697 1 1 25 LEU HD23 H -1.358 -0.718 4.704 1.00 . A A . 24 LEU HD23 1 1 9 4698 1 1 25 LEU HG H 0.956 0.116 4.534 1.00 . A A . 24 LEU HG 1 1 9 4699 1 1 25 LEU N N 0.365 1.965 0.396 1.00 . A A . 24 LEU N 1 1 9 4700 1 1 25 LEU O O -2.453 2.295 2.432 1.00 . A A . 24 LEU O 1 1 9 4701 1 1 26 ALA C C -2.969 5.011 1.341 1.00 . A A . 25 ALA C 1 1 9 4702 1 1 26 ALA CA C -1.779 4.979 2.291 1.00 . A A . 25 ALA CA 1 1 9 4703 1 1 26 ALA CB C -1.007 6.282 2.215 1.00 . A A . 25 ALA CB 1 1 9 4704 1 1 26 ALA H H 0.025 4.039 1.707 1.00 . A A . 25 ALA H 1 1 9 4705 1 1 26 ALA HA H -2.134 4.853 3.303 1.00 . A A . 25 ALA HA 1 1 9 4706 1 1 26 ALA HB1 H -0.183 6.251 2.911 1.00 . A A . 25 ALA HB1 1 1 9 4707 1 1 26 ALA HB2 H -1.661 7.103 2.465 1.00 . A A . 25 ALA HB2 1 1 9 4708 1 1 26 ALA HB3 H -0.627 6.415 1.214 1.00 . A A . 25 ALA HB3 1 1 9 4709 1 1 26 ALA N N -0.905 3.858 1.973 1.00 . A A . 25 ALA N 1 1 9 4710 1 1 26 ALA O O -4.089 5.346 1.732 1.00 . A A . 25 ALA O 1 1 9 4711 1 1 27 LYS C C -4.724 3.434 -0.563 1.00 . A A . 26 LYS C 1 1 9 4712 1 1 27 LYS CA C -3.745 4.548 -0.926 1.00 . A A . 26 LYS CA 1 1 9 4713 1 1 27 LYS CB C -3.106 4.260 -2.287 1.00 . A A . 26 LYS CB 1 1 9 4714 1 1 27 LYS CD C -3.420 3.829 -4.741 1.00 . A A . 26 LYS CD 1 1 9 4715 1 1 27 LYS CE C -2.308 4.783 -5.157 1.00 . A A . 26 LYS CE 1 1 9 4716 1 1 27 LYS CG C -4.088 4.265 -3.446 1.00 . A A . 26 LYS CG 1 1 9 4717 1 1 27 LYS H H -1.776 4.465 -0.160 1.00 . A A . 26 LYS H 1 1 9 4718 1 1 27 LYS HA H -4.274 5.487 -0.970 1.00 . A A . 26 LYS HA 1 1 9 4719 1 1 27 LYS HB2 H -2.352 5.005 -2.479 1.00 . A A . 26 LYS HB2 1 1 9 4720 1 1 27 LYS HB3 H -2.635 3.290 -2.250 1.00 . A A . 26 LYS HB3 1 1 9 4721 1 1 27 LYS HD2 H -2.998 2.845 -4.602 1.00 . A A . 26 LYS HD2 1 1 9 4722 1 1 27 LYS HD3 H -4.163 3.795 -5.522 1.00 . A A . 26 LYS HD3 1 1 9 4723 1 1 27 LYS HE2 H -1.583 4.840 -4.360 1.00 . A A . 26 LYS HE2 1 1 9 4724 1 1 27 LYS HE3 H -1.833 4.394 -6.045 1.00 . A A . 26 LYS HE3 1 1 9 4725 1 1 27 LYS HG2 H -4.897 3.586 -3.223 1.00 . A A . 26 LYS HG2 1 1 9 4726 1 1 27 LYS HG3 H -4.478 5.265 -3.570 1.00 . A A . 26 LYS HG3 1 1 9 4727 1 1 27 LYS HZ1 H -3.485 6.127 -6.239 1.00 . A A . 26 LYS HZ1 1 1 9 4728 1 1 27 LYS HZ2 H -2.032 6.785 -5.684 1.00 . A A . 26 LYS HZ2 1 1 9 4729 1 1 27 LYS HZ3 H -3.309 6.531 -4.608 1.00 . A A . 26 LYS HZ3 1 1 9 4730 1 1 27 LYS N N -2.706 4.656 0.090 1.00 . A A . 26 LYS N 1 1 9 4731 1 1 27 LYS NZ N -2.818 6.149 -5.442 1.00 . A A . 26 LYS NZ 1 1 9 4732 1 1 27 LYS O O -5.940 3.584 -0.705 1.00 . A A . 26 LYS O 1 1 9 4733 1 1 28 TYR C C -5.880 1.602 1.511 1.00 . A A . 27 TYR C 1 1 9 4734 1 1 28 TYR CA C -4.976 1.190 0.356 1.00 . A A . 27 TYR CA 1 1 9 4735 1 1 28 TYR CB C -4.059 0.031 0.777 1.00 . A A . 27 TYR CB 1 1 9 4736 1 1 28 TYR CD1 C -5.429 -2.090 0.682 1.00 . A A . 27 TYR CD1 1 1 9 4737 1 1 28 TYR CD2 C -4.810 -1.244 2.822 1.00 . A A . 27 TYR CD2 1 1 9 4738 1 1 28 TYR CE1 C -6.086 -3.144 1.282 1.00 . A A . 27 TYR CE1 1 1 9 4739 1 1 28 TYR CE2 C -5.465 -2.295 3.429 1.00 . A A . 27 TYR CE2 1 1 9 4740 1 1 28 TYR CG C -4.780 -1.123 1.440 1.00 . A A . 27 TYR CG 1 1 9 4741 1 1 28 TYR CZ C -6.105 -3.238 2.659 1.00 . A A . 27 TYR CZ 1 1 9 4742 1 1 28 TYR H H -3.196 2.263 -0.033 1.00 . A A . 27 TYR H 1 1 9 4743 1 1 28 TYR HA H -5.592 0.873 -0.472 1.00 . A A . 27 TYR HA 1 1 9 4744 1 1 28 TYR HB2 H -3.554 -0.357 -0.096 1.00 . A A . 27 TYR HB2 1 1 9 4745 1 1 28 TYR HB3 H -3.322 0.403 1.471 1.00 . A A . 27 TYR HB3 1 1 9 4746 1 1 28 TYR HD1 H -5.415 -2.011 -0.394 1.00 . A A . 27 TYR HD1 1 1 9 4747 1 1 28 TYR HD2 H -4.312 -0.501 3.426 1.00 . A A . 27 TYR HD2 1 1 9 4748 1 1 28 TYR HE1 H -6.584 -3.884 0.676 1.00 . A A . 27 TYR HE1 1 1 9 4749 1 1 28 TYR HE2 H -5.481 -2.371 4.506 1.00 . A A . 27 TYR HE2 1 1 9 4750 1 1 28 TYR HH H -6.510 -5.116 2.814 1.00 . A A . 27 TYR HH 1 1 9 4751 1 1 28 TYR N N -4.176 2.323 -0.086 1.00 . A A . 27 TYR N 1 1 9 4752 1 1 28 TYR O O -7.067 1.278 1.529 1.00 . A A . 27 TYR O 1 1 9 4753 1 1 28 TYR OH O -6.753 -4.293 3.257 1.00 . A A . 27 TYR OH 1 1 9 4754 1 1 29 GLN C C -7.189 3.735 3.190 1.00 . A A . 28 GLN C 1 1 9 4755 1 1 29 GLN CA C -6.058 2.813 3.618 1.00 . A A . 28 GLN CA 1 1 9 4756 1 1 29 GLN CB C -5.139 3.562 4.585 1.00 . A A . 28 GLN CB 1 1 9 4757 1 1 29 GLN CD C -3.133 3.494 6.110 1.00 . A A . 28 GLN CD 1 1 9 4758 1 1 29 GLN CG C -4.059 2.696 5.217 1.00 . A A . 28 GLN CG 1 1 9 4759 1 1 29 GLN H H -4.360 2.561 2.380 1.00 . A A . 28 GLN H 1 1 9 4760 1 1 29 GLN HA H -6.476 1.953 4.120 1.00 . A A . 28 GLN HA 1 1 9 4761 1 1 29 GLN HB2 H -4.656 4.368 4.048 1.00 . A A . 28 GLN HB2 1 1 9 4762 1 1 29 GLN HB3 H -5.741 3.985 5.377 1.00 . A A . 28 GLN HB3 1 1 9 4763 1 1 29 GLN HE21 H -2.843 1.914 7.274 1.00 . A A . 28 GLN HE21 1 1 9 4764 1 1 29 GLN HE22 H -2.011 3.356 7.737 1.00 . A A . 28 GLN HE22 1 1 9 4765 1 1 29 GLN HG2 H -4.529 1.920 5.806 1.00 . A A . 28 GLN HG2 1 1 9 4766 1 1 29 GLN HG3 H -3.472 2.244 4.431 1.00 . A A . 28 GLN HG3 1 1 9 4767 1 1 29 GLN N N -5.311 2.337 2.460 1.00 . A A . 28 GLN N 1 1 9 4768 1 1 29 GLN NE2 N -2.609 2.858 7.143 1.00 . A A . 28 GLN NE2 1 1 9 4769 1 1 29 GLN O O -8.285 3.677 3.742 1.00 . A A . 28 GLN O 1 1 9 4770 1 1 29 GLN OE1 O -2.890 4.677 5.871 1.00 . A A . 28 GLN OE1 1 1 9 4771 1 1 30 LYS C C -9.112 4.824 1.138 1.00 . A A . 29 LYS C 1 1 9 4772 1 1 30 LYS CA C -7.893 5.539 1.716 1.00 . A A . 29 LYS CA 1 1 9 4773 1 1 30 LYS CB C -7.262 6.461 0.665 1.00 . A A . 29 LYS CB 1 1 9 4774 1 1 30 LYS CD C -7.445 8.579 -0.699 1.00 . A A . 29 LYS CD 1 1 9 4775 1 1 30 LYS CE C -7.209 7.935 -2.058 1.00 . A A . 29 LYS CE 1 1 9 4776 1 1 30 LYS CG C -8.145 7.637 0.272 1.00 . A A . 29 LYS CG 1 1 9 4777 1 1 30 LYS H H -6.025 4.551 1.787 1.00 . A A . 29 LYS H 1 1 9 4778 1 1 30 LYS HA H -8.209 6.135 2.556 1.00 . A A . 29 LYS HA 1 1 9 4779 1 1 30 LYS HB2 H -6.333 6.851 1.056 1.00 . A A . 29 LYS HB2 1 1 9 4780 1 1 30 LYS HB3 H -7.053 5.882 -0.225 1.00 . A A . 29 LYS HB3 1 1 9 4781 1 1 30 LYS HD2 H -8.055 9.458 -0.832 1.00 . A A . 29 LYS HD2 1 1 9 4782 1 1 30 LYS HD3 H -6.491 8.865 -0.278 1.00 . A A . 29 LYS HD3 1 1 9 4783 1 1 30 LYS HE2 H -6.673 8.632 -2.683 1.00 . A A . 29 LYS HE2 1 1 9 4784 1 1 30 LYS HE3 H -6.611 7.047 -1.920 1.00 . A A . 29 LYS HE3 1 1 9 4785 1 1 30 LYS HG2 H -9.040 7.260 -0.195 1.00 . A A . 29 LYS HG2 1 1 9 4786 1 1 30 LYS HG3 H -8.409 8.187 1.163 1.00 . A A . 29 LYS HG3 1 1 9 4787 1 1 30 LYS HZ1 H -9.057 8.411 -2.915 1.00 . A A . 29 LYS HZ1 1 1 9 4788 1 1 30 LYS HZ2 H -9.028 6.909 -2.140 1.00 . A A . 29 LYS HZ2 1 1 9 4789 1 1 30 LYS HZ3 H -8.282 7.096 -3.642 1.00 . A A . 29 LYS HZ3 1 1 9 4790 1 1 30 LYS N N -6.914 4.577 2.201 1.00 . A A . 29 LYS N 1 1 9 4791 1 1 30 LYS NZ N -8.482 7.562 -2.735 1.00 . A A . 29 LYS NZ 1 1 9 4792 1 1 30 LYS O O -10.251 5.164 1.455 1.00 . A A . 29 LYS O 1 1 9 4793 1 1 31 ASP C C -10.662 2.222 0.775 1.00 . A A . 30 ASP C 1 1 9 4794 1 1 31 ASP CA C -9.953 3.048 -0.296 1.00 . A A . 30 ASP CA 1 1 9 4795 1 1 31 ASP CB C -9.427 2.128 -1.399 1.00 . A A . 30 ASP CB 1 1 9 4796 1 1 31 ASP CG C -10.543 1.563 -2.257 1.00 . A A . 30 ASP CG 1 1 9 4797 1 1 31 ASP H H -7.934 3.607 0.074 1.00 . A A . 30 ASP H 1 1 9 4798 1 1 31 ASP HA H -10.661 3.742 -0.723 1.00 . A A . 30 ASP HA 1 1 9 4799 1 1 31 ASP HB2 H -8.758 2.688 -2.037 1.00 . A A . 30 ASP HB2 1 1 9 4800 1 1 31 ASP HB3 H -8.890 1.304 -0.947 1.00 . A A . 30 ASP HB3 1 1 9 4801 1 1 31 ASP N N -8.866 3.827 0.297 1.00 . A A . 30 ASP N 1 1 9 4802 1 1 31 ASP O O -11.888 2.108 0.781 1.00 . A A . 30 ASP O 1 1 9 4803 1 1 31 ASP OD1 O -11.008 0.443 -1.960 1.00 . A A . 30 ASP OD1 1 1 9 4804 1 1 31 ASP OD2 O -10.972 2.228 -3.220 1.00 . A A . 30 ASP OD2 1 1 9 4805 1 1 32 LEU C C -11.260 1.698 3.707 1.00 . A A . 31 LEU C 1 1 9 4806 1 1 32 LEU CA C -10.385 0.854 2.784 1.00 . A A . 31 LEU CA 1 1 9 4807 1 1 32 LEU CB C -9.213 0.255 3.569 1.00 . A A . 31 LEU CB 1 1 9 4808 1 1 32 LEU CD1 C -10.330 -1.890 4.262 1.00 . A A . 31 LEU CD1 1 1 9 4809 1 1 32 LEU CD2 C -8.326 -1.054 5.494 1.00 . A A . 31 LEU CD2 1 1 9 4810 1 1 32 LEU CG C -9.581 -0.655 4.741 1.00 . A A . 31 LEU CG 1 1 9 4811 1 1 32 LEU H H -8.899 1.789 1.605 1.00 . A A . 31 LEU H 1 1 9 4812 1 1 32 LEU HA H -10.982 0.057 2.367 1.00 . A A . 31 LEU HA 1 1 9 4813 1 1 32 LEU HB2 H -8.600 -0.312 2.884 1.00 . A A . 31 LEU HB2 1 1 9 4814 1 1 32 LEU HB3 H -8.619 1.070 3.956 1.00 . A A . 31 LEU HB3 1 1 9 4815 1 1 32 LEU HD11 H -9.727 -2.419 3.540 1.00 . A A . 31 LEU HD11 1 1 9 4816 1 1 32 LEU HD12 H -11.263 -1.592 3.805 1.00 . A A . 31 LEU HD12 1 1 9 4817 1 1 32 LEU HD13 H -10.533 -2.535 5.103 1.00 . A A . 31 LEU HD13 1 1 9 4818 1 1 32 LEU HD21 H -8.588 -1.699 6.319 1.00 . A A . 31 LEU HD21 1 1 9 4819 1 1 32 LEU HD22 H -7.834 -0.170 5.867 1.00 . A A . 31 LEU HD22 1 1 9 4820 1 1 32 LEU HD23 H -7.660 -1.579 4.823 1.00 . A A . 31 LEU HD23 1 1 9 4821 1 1 32 LEU HG H -10.224 -0.116 5.423 1.00 . A A . 31 LEU HG 1 1 9 4822 1 1 32 LEU N N -9.870 1.661 1.682 1.00 . A A . 31 LEU N 1 1 9 4823 1 1 32 LEU O O -12.240 1.213 4.269 1.00 . A A . 31 LEU O 1 1 9 4824 1 1 33 ALA C C -13.032 4.114 4.119 1.00 . A A . 32 ALA C 1 1 9 4825 1 1 33 ALA CA C -11.637 3.896 4.680 1.00 . A A . 32 ALA CA 1 1 9 4826 1 1 33 ALA CB C -10.902 5.219 4.769 1.00 . A A . 32 ALA CB 1 1 9 4827 1 1 33 ALA H H -10.073 3.274 3.410 1.00 . A A . 32 ALA H 1 1 9 4828 1 1 33 ALA HA H -11.715 3.486 5.673 1.00 . A A . 32 ALA HA 1 1 9 4829 1 1 33 ALA HB1 H -10.807 5.639 3.778 1.00 . A A . 32 ALA HB1 1 1 9 4830 1 1 33 ALA HB2 H -9.920 5.058 5.189 1.00 . A A . 32 ALA HB2 1 1 9 4831 1 1 33 ALA HB3 H -11.458 5.898 5.396 1.00 . A A . 32 ALA HB3 1 1 9 4832 1 1 33 ALA N N -10.887 2.961 3.860 1.00 . A A . 32 ALA N 1 1 9 4833 1 1 33 ALA O O -14.000 4.254 4.866 1.00 . A A . 32 ALA O 1 1 9 4834 1 1 34 ASP C C -15.201 3.018 2.191 1.00 . A A . 33 ASP C 1 1 9 4835 1 1 34 ASP CA C -14.413 4.318 2.142 1.00 . A A . 33 ASP CA 1 1 9 4836 1 1 34 ASP CB C -14.236 4.763 0.687 1.00 . A A . 33 ASP CB 1 1 9 4837 1 1 34 ASP CG C -15.563 5.008 -0.008 1.00 . A A . 33 ASP CG 1 1 9 4838 1 1 34 ASP H H -12.313 4.069 2.259 1.00 . A A . 33 ASP H 1 1 9 4839 1 1 34 ASP HA H -14.960 5.077 2.679 1.00 . A A . 33 ASP HA 1 1 9 4840 1 1 34 ASP HB2 H -13.665 5.679 0.665 1.00 . A A . 33 ASP HB2 1 1 9 4841 1 1 34 ASP HB3 H -13.700 3.998 0.143 1.00 . A A . 33 ASP HB3 1 1 9 4842 1 1 34 ASP N N -13.127 4.152 2.800 1.00 . A A . 33 ASP N 1 1 9 4843 1 1 34 ASP O O -16.385 3.007 2.524 1.00 . A A . 33 ASP O 1 1 9 4844 1 1 34 ASP OD1 O -16.106 4.067 -0.624 1.00 . A A . 33 ASP OD1 1 1 9 4845 1 1 34 ASP OD2 O -16.064 6.151 0.050 1.00 . A A . 33 ASP OD2 1 1 9 4846 1 1 35 TYR C C -15.146 -0.056 3.202 1.00 . A A . 34 TYR C 1 1 9 4847 1 1 35 TYR CA C -15.169 0.619 1.832 1.00 . A A . 34 TYR CA 1 1 9 4848 1 1 35 TYR CB C -14.472 -0.256 0.789 1.00 . A A . 34 TYR CB 1 1 9 4849 1 1 35 TYR CD1 C -16.352 -1.567 -0.266 1.00 . A A . 34 TYR CD1 1 1 9 4850 1 1 35 TYR CD2 C -14.710 -2.756 0.985 1.00 . A A . 34 TYR CD2 1 1 9 4851 1 1 35 TYR CE1 C -17.011 -2.747 -0.529 1.00 . A A . 34 TYR CE1 1 1 9 4852 1 1 35 TYR CE2 C -15.362 -3.941 0.724 1.00 . A A . 34 TYR CE2 1 1 9 4853 1 1 35 TYR CG C -15.192 -1.550 0.495 1.00 . A A . 34 TYR CG 1 1 9 4854 1 1 35 TYR CZ C -16.516 -3.926 -0.056 1.00 . A A . 34 TYR CZ 1 1 9 4855 1 1 35 TYR H H -13.564 1.985 1.703 1.00 . A A . 34 TYR H 1 1 9 4856 1 1 35 TYR HA H -16.196 0.769 1.534 1.00 . A A . 34 TYR HA 1 1 9 4857 1 1 35 TYR HB2 H -14.394 0.294 -0.136 1.00 . A A . 34 TYR HB2 1 1 9 4858 1 1 35 TYR HB3 H -13.481 -0.500 1.142 1.00 . A A . 34 TYR HB3 1 1 9 4859 1 1 35 TYR HD1 H -16.739 -0.637 -0.655 1.00 . A A . 34 TYR HD1 1 1 9 4860 1 1 35 TYR HD2 H -13.808 -2.759 1.579 1.00 . A A . 34 TYR HD2 1 1 9 4861 1 1 35 TYR HE1 H -17.910 -2.738 -1.124 1.00 . A A . 34 TYR HE1 1 1 9 4862 1 1 35 TYR HE2 H -14.972 -4.868 1.113 1.00 . A A . 34 TYR HE2 1 1 9 4863 1 1 35 TYR HH H -17.374 -5.167 -1.236 1.00 . A A . 34 TYR HH 1 1 9 4864 1 1 35 TYR N N -14.526 1.920 1.889 1.00 . A A . 34 TYR N 1 1 9 4865 1 1 35 TYR O O -14.258 -0.854 3.506 1.00 . A A . 34 TYR O 1 1 9 4866 1 1 35 TYR OH O -17.174 -5.112 -0.293 1.00 . A A . 34 TYR OH 1 1 9 4867 1 1 36 NH2 HN1 H -16.785 0.930 3.729 1.00 . A A . 35 NH2 HN1 1 1 9 4868 1 1 36 NH2 HN2 H -16.136 -0.141 4.919 1.00 . A A . 35 NH2 HN2 1 1 9 4869 1 1 36 NH2 N N -16.118 0.279 4.035 1.00 . A A . 35 NH2 N 1 1 10 4870 1 1 1 ACE C C -13.837 -2.862 -3.323 1.00 . A A . 0 ACE C 1 1 10 4871 1 1 1 ACE CH3 C -14.408 -1.659 -2.627 1.00 . A A . 0 ACE CH3 1 1 10 4872 1 1 1 ACE H1 H -14.673 -0.919 -3.374 1.00 . A A . 0 ACE H1 1 1 10 4873 1 1 1 ACE H2 H -13.674 -1.248 -1.960 1.00 . A A . 0 ACE H2 1 1 10 4874 1 1 1 ACE H3 H -15.279 -1.970 -2.060 1.00 . A A . 0 ACE H3 1 1 10 4875 1 1 1 ACE O O -13.532 -2.818 -4.516 1.00 . A A . 0 ACE O 1 1 10 4876 1 1 2 PRO C C -11.257 -3.772 -2.046 1.00 . A A . 1 PRO C 1 1 10 4877 1 1 2 PRO CA C -12.660 -4.071 -1.525 1.00 . A A . 1 PRO CA 1 1 10 4878 1 1 2 PRO CB C -12.760 -5.533 -1.063 1.00 . A A . 1 PRO CB 1 1 10 4879 1 1 2 PRO CD C -14.451 -5.201 -2.717 1.00 . A A . 1 PRO CD 1 1 10 4880 1 1 2 PRO CG C -13.539 -6.237 -2.121 1.00 . A A . 1 PRO CG 1 1 10 4881 1 1 2 PRO HA H -12.888 -3.411 -0.700 1.00 . A A . 1 PRO HA 1 1 10 4882 1 1 2 PRO HB2 H -11.768 -5.957 -0.968 1.00 . A A . 1 PRO HB2 1 1 10 4883 1 1 2 PRO HB3 H -13.283 -5.589 -0.121 1.00 . A A . 1 PRO HB3 1 1 10 4884 1 1 2 PRO HD2 H -14.656 -5.421 -3.755 1.00 . A A . 1 PRO HD2 1 1 10 4885 1 1 2 PRO HD3 H -15.371 -5.131 -2.153 1.00 . A A . 1 PRO HD3 1 1 10 4886 1 1 2 PRO HG2 H -12.864 -6.628 -2.870 1.00 . A A . 1 PRO HG2 1 1 10 4887 1 1 2 PRO HG3 H -14.120 -7.034 -1.682 1.00 . A A . 1 PRO HG3 1 1 10 4888 1 1 2 PRO N N -13.665 -3.968 -2.586 1.00 . A A . 1 PRO N 1 1 10 4889 1 1 2 PRO O O -10.879 -4.236 -3.121 1.00 . A A . 1 PRO O 1 1 10 4890 1 1 3 PRO C C -8.178 -3.792 -1.839 1.00 . A A . 2 PRO C 1 1 10 4891 1 1 3 PRO CA C -9.119 -2.600 -1.714 1.00 . A A . 2 PRO CA 1 1 10 4892 1 1 3 PRO CB C -8.644 -1.675 -0.594 1.00 . A A . 2 PRO CB 1 1 10 4893 1 1 3 PRO CD C -10.826 -2.422 0.016 1.00 . A A . 2 PRO CD 1 1 10 4894 1 1 3 PRO CG C -9.494 -2.010 0.578 1.00 . A A . 2 PRO CG 1 1 10 4895 1 1 3 PRO HA H -9.139 -2.058 -2.648 1.00 . A A . 2 PRO HA 1 1 10 4896 1 1 3 PRO HB2 H -7.598 -1.865 -0.381 1.00 . A A . 2 PRO HB2 1 1 10 4897 1 1 3 PRO HB3 H -8.788 -0.647 -0.875 1.00 . A A . 2 PRO HB3 1 1 10 4898 1 1 3 PRO HD2 H -11.292 -3.166 0.645 1.00 . A A . 2 PRO HD2 1 1 10 4899 1 1 3 PRO HD3 H -11.471 -1.564 -0.099 1.00 . A A . 2 PRO HD3 1 1 10 4900 1 1 3 PRO HG2 H -9.044 -2.824 1.133 1.00 . A A . 2 PRO HG2 1 1 10 4901 1 1 3 PRO HG3 H -9.609 -1.144 1.208 1.00 . A A . 2 PRO HG3 1 1 10 4902 1 1 3 PRO N N -10.470 -2.989 -1.296 1.00 . A A . 2 PRO N 1 1 10 4903 1 1 3 PRO O O -8.175 -4.689 -0.993 1.00 . A A . 2 PRO O 1 1 10 4904 1 1 4 THR C C -5.119 -4.496 -2.387 1.00 . A A . 3 THR C 1 1 10 4905 1 1 4 THR CA C -6.413 -4.845 -3.111 1.00 . A A . 3 THR CA 1 1 10 4906 1 1 4 THR CB C -6.133 -5.023 -4.614 1.00 . A A . 3 THR CB 1 1 10 4907 1 1 4 THR CG2 C -5.304 -6.270 -4.870 1.00 . A A . 3 THR CG2 1 1 10 4908 1 1 4 THR H H -7.459 -3.074 -3.552 1.00 . A A . 3 THR H 1 1 10 4909 1 1 4 THR HA H -6.805 -5.769 -2.718 1.00 . A A . 3 THR HA 1 1 10 4910 1 1 4 THR HB H -5.583 -4.164 -4.966 1.00 . A A . 3 THR HB 1 1 10 4911 1 1 4 THR HG1 H -7.289 -5.762 -6.039 1.00 . A A . 3 THR HG1 1 1 10 4912 1 1 4 THR HG21 H -5.859 -7.141 -4.557 1.00 . A A . 3 THR HG21 1 1 10 4913 1 1 4 THR HG22 H -4.382 -6.210 -4.311 1.00 . A A . 3 THR HG22 1 1 10 4914 1 1 4 THR HG23 H -5.081 -6.345 -5.925 1.00 . A A . 3 THR HG23 1 1 10 4915 1 1 4 THR N N -7.390 -3.799 -2.896 1.00 . A A . 3 THR N 1 1 10 4916 1 1 4 THR O O -4.604 -3.387 -2.529 1.00 . A A . 3 THR O 1 1 10 4917 1 1 4 THR OG1 O -7.373 -5.114 -5.329 1.00 . A A . 3 THR OG1 1 1 10 4918 1 1 5 LYS C C -2.208 -5.065 -1.850 1.00 . A A . 4 LYS C 1 1 10 4919 1 1 5 LYS CA C -3.368 -5.208 -0.874 1.00 . A A . 4 LYS CA 1 1 10 4920 1 1 5 LYS CB C -3.105 -6.348 0.110 1.00 . A A . 4 LYS CB 1 1 10 4921 1 1 5 LYS CD C -3.756 -7.473 2.260 1.00 . A A . 4 LYS CD 1 1 10 4922 1 1 5 LYS CE C -4.689 -7.428 3.459 1.00 . A A . 4 LYS CE 1 1 10 4923 1 1 5 LYS CG C -4.091 -6.381 1.264 1.00 . A A . 4 LYS CG 1 1 10 4924 1 1 5 LYS H H -5.087 -6.282 -1.492 1.00 . A A . 4 LYS H 1 1 10 4925 1 1 5 LYS HA H -3.473 -4.286 -0.323 1.00 . A A . 4 LYS HA 1 1 10 4926 1 1 5 LYS HB2 H -3.172 -7.288 -0.419 1.00 . A A . 4 LYS HB2 1 1 10 4927 1 1 5 LYS HB3 H -2.109 -6.238 0.517 1.00 . A A . 4 LYS HB3 1 1 10 4928 1 1 5 LYS HD2 H -3.852 -8.433 1.775 1.00 . A A . 4 LYS HD2 1 1 10 4929 1 1 5 LYS HD3 H -2.741 -7.336 2.598 1.00 . A A . 4 LYS HD3 1 1 10 4930 1 1 5 LYS HE2 H -4.611 -6.456 3.922 1.00 . A A . 4 LYS HE2 1 1 10 4931 1 1 5 LYS HE3 H -5.701 -7.580 3.115 1.00 . A A . 4 LYS HE3 1 1 10 4932 1 1 5 LYS HG2 H -4.065 -5.429 1.773 1.00 . A A . 4 LYS HG2 1 1 10 4933 1 1 5 LYS HG3 H -5.082 -6.552 0.872 1.00 . A A . 4 LYS HG3 1 1 10 4934 1 1 5 LYS HZ1 H -4.461 -9.414 4.047 1.00 . A A . 4 LYS HZ1 1 1 10 4935 1 1 5 LYS HZ2 H -4.997 -8.395 5.281 1.00 . A A . 4 LYS HZ2 1 1 10 4936 1 1 5 LYS HZ3 H -3.379 -8.352 4.793 1.00 . A A . 4 LYS HZ3 1 1 10 4937 1 1 5 LYS N N -4.614 -5.428 -1.595 1.00 . A A . 4 LYS N 1 1 10 4938 1 1 5 LYS NZ N -4.359 -8.469 4.465 1.00 . A A . 4 LYS NZ 1 1 10 4939 1 1 5 LYS O O -2.081 -5.855 -2.790 1.00 . A A . 4 LYS O 1 1 10 4940 1 1 6 PRO C C 0.712 -4.951 -2.658 1.00 . A A . 5 PRO C 1 1 10 4941 1 1 6 PRO CA C -0.238 -3.767 -2.553 1.00 . A A . 5 PRO CA 1 1 10 4942 1 1 6 PRO CB C 0.471 -2.565 -1.920 1.00 . A A . 5 PRO CB 1 1 10 4943 1 1 6 PRO CD C -1.462 -3.031 -0.585 1.00 . A A . 5 PRO CD 1 1 10 4944 1 1 6 PRO CG C -0.075 -2.451 -0.539 1.00 . A A . 5 PRO CG 1 1 10 4945 1 1 6 PRO HA H -0.578 -3.502 -3.542 1.00 . A A . 5 PRO HA 1 1 10 4946 1 1 6 PRO HB2 H 1.540 -2.743 -1.900 1.00 . A A . 5 PRO HB2 1 1 10 4947 1 1 6 PRO HB3 H 0.252 -1.670 -2.481 1.00 . A A . 5 PRO HB3 1 1 10 4948 1 1 6 PRO HD2 H -1.709 -3.498 0.359 1.00 . A A . 5 PRO HD2 1 1 10 4949 1 1 6 PRO HD3 H -2.185 -2.263 -0.832 1.00 . A A . 5 PRO HD3 1 1 10 4950 1 1 6 PRO HG2 H 0.548 -3.012 0.149 1.00 . A A . 5 PRO HG2 1 1 10 4951 1 1 6 PRO HG3 H -0.118 -1.412 -0.250 1.00 . A A . 5 PRO HG3 1 1 10 4952 1 1 6 PRO N N -1.369 -4.031 -1.664 1.00 . A A . 5 PRO N 1 1 10 4953 1 1 6 PRO O O 1.323 -5.373 -1.675 1.00 . A A . 5 PRO O 1 1 10 4954 1 1 7 THR C C 3.140 -6.164 -4.269 1.00 . A A . 6 THR C 1 1 10 4955 1 1 7 THR CA C 1.686 -6.615 -4.133 1.00 . A A . 6 THR CA 1 1 10 4956 1 1 7 THR CB C 1.220 -7.319 -5.418 1.00 . A A . 6 THR CB 1 1 10 4957 1 1 7 THR CG2 C 1.912 -8.660 -5.594 1.00 . A A . 6 THR CG2 1 1 10 4958 1 1 7 THR H H 0.317 -5.084 -4.603 1.00 . A A . 6 THR H 1 1 10 4959 1 1 7 THR HA H 1.602 -7.306 -3.312 1.00 . A A . 6 THR HA 1 1 10 4960 1 1 7 THR HB H 1.456 -6.690 -6.261 1.00 . A A . 6 THR HB 1 1 10 4961 1 1 7 THR HG1 H -0.444 -7.798 -4.463 1.00 . A A . 6 THR HG1 1 1 10 4962 1 1 7 THR HG21 H 1.698 -9.289 -4.744 1.00 . A A . 6 THR HG21 1 1 10 4963 1 1 7 THR HG22 H 2.978 -8.506 -5.670 1.00 . A A . 6 THR HG22 1 1 10 4964 1 1 7 THR HG23 H 1.552 -9.136 -6.494 1.00 . A A . 6 THR HG23 1 1 10 4965 1 1 7 THR N N 0.828 -5.476 -3.864 1.00 . A A . 6 THR N 1 1 10 4966 1 1 7 THR O O 4.065 -6.977 -4.342 1.00 . A A . 6 THR O 1 1 10 4967 1 1 7 THR OG1 O -0.201 -7.519 -5.359 1.00 . A A . 6 THR OG1 1 1 10 4968 1 1 8 LYS C C 5.445 -4.455 -3.121 1.00 . A A . 7 LYS C 1 1 10 4969 1 1 8 LYS CA C 4.645 -4.259 -4.409 1.00 . A A . 7 LYS CA 1 1 10 4970 1 1 8 LYS CB C 4.510 -2.769 -4.714 1.00 . A A . 7 LYS CB 1 1 10 4971 1 1 8 LYS CD C 4.083 -3.043 -7.190 1.00 . A A . 7 LYS CD 1 1 10 4972 1 1 8 LYS CE C 3.071 -2.864 -8.314 1.00 . A A . 7 LYS CE 1 1 10 4973 1 1 8 LYS CG C 3.573 -2.463 -5.875 1.00 . A A . 7 LYS CG 1 1 10 4974 1 1 8 LYS H H 2.549 -4.267 -4.194 1.00 . A A . 7 LYS H 1 1 10 4975 1 1 8 LYS HA H 5.156 -4.745 -5.223 1.00 . A A . 7 LYS HA 1 1 10 4976 1 1 8 LYS HB2 H 4.136 -2.268 -3.834 1.00 . A A . 7 LYS HB2 1 1 10 4977 1 1 8 LYS HB3 H 5.484 -2.373 -4.952 1.00 . A A . 7 LYS HB3 1 1 10 4978 1 1 8 LYS HD2 H 4.998 -2.539 -7.463 1.00 . A A . 7 LYS HD2 1 1 10 4979 1 1 8 LYS HD3 H 4.280 -4.098 -7.058 1.00 . A A . 7 LYS HD3 1 1 10 4980 1 1 8 LYS HE2 H 3.490 -3.266 -9.224 1.00 . A A . 7 LYS HE2 1 1 10 4981 1 1 8 LYS HE3 H 2.172 -3.408 -8.064 1.00 . A A . 7 LYS HE3 1 1 10 4982 1 1 8 LYS HG2 H 2.604 -2.891 -5.658 1.00 . A A . 7 LYS HG2 1 1 10 4983 1 1 8 LYS HG3 H 3.480 -1.391 -5.975 1.00 . A A . 7 LYS HG3 1 1 10 4984 1 1 8 LYS HZ1 H 2.360 -1.015 -7.657 1.00 . A A . 7 LYS HZ1 1 1 10 4985 1 1 8 LYS HZ2 H 1.997 -1.354 -9.272 1.00 . A A . 7 LYS HZ2 1 1 10 4986 1 1 8 LYS HZ3 H 3.568 -0.906 -8.838 1.00 . A A . 7 LYS HZ3 1 1 10 4987 1 1 8 LYS N N 3.326 -4.854 -4.281 1.00 . A A . 7 LYS N 1 1 10 4988 1 1 8 LYS NZ N 2.727 -1.436 -8.535 1.00 . A A . 7 LYS NZ 1 1 10 4989 1 1 8 LYS O O 4.871 -4.474 -2.029 1.00 . A A . 7 LYS O 1 1 10 4990 1 1 9 PRO C C 7.565 -3.568 -1.131 1.00 . A A . 8 PRO C 1 1 10 4991 1 1 9 PRO CA C 7.647 -4.770 -2.062 1.00 . A A . 8 PRO CA 1 1 10 4992 1 1 9 PRO CB C 9.053 -4.886 -2.658 1.00 . A A . 8 PRO CB 1 1 10 4993 1 1 9 PRO CD C 7.535 -4.685 -4.488 1.00 . A A . 8 PRO CD 1 1 10 4994 1 1 9 PRO CG C 8.937 -4.364 -4.046 1.00 . A A . 8 PRO CG 1 1 10 4995 1 1 9 PRO HA H 7.413 -5.668 -1.509 1.00 . A A . 8 PRO HA 1 1 10 4996 1 1 9 PRO HB2 H 9.746 -4.288 -2.076 1.00 . A A . 8 PRO HB2 1 1 10 4997 1 1 9 PRO HB3 H 9.366 -5.916 -2.672 1.00 . A A . 8 PRO HB3 1 1 10 4998 1 1 9 PRO HD2 H 7.177 -3.949 -5.193 1.00 . A A . 8 PRO HD2 1 1 10 4999 1 1 9 PRO HD3 H 7.486 -5.678 -4.913 1.00 . A A . 8 PRO HD3 1 1 10 5000 1 1 9 PRO HG2 H 9.102 -3.295 -4.041 1.00 . A A . 8 PRO HG2 1 1 10 5001 1 1 9 PRO HG3 H 9.652 -4.854 -4.688 1.00 . A A . 8 PRO HG3 1 1 10 5002 1 1 9 PRO N N 6.775 -4.619 -3.230 1.00 . A A . 8 PRO N 1 1 10 5003 1 1 9 PRO O O 7.816 -2.428 -1.538 1.00 . A A . 8 PRO O 1 1 10 5004 1 1 10 GLY C C 7.115 -3.335 2.495 1.00 . A A . 9 GLY C 1 1 10 5005 1 1 10 GLY CA C 7.065 -2.786 1.093 1.00 . A A . 9 GLY CA 1 1 10 5006 1 1 10 GLY H H 7.019 -4.763 0.363 1.00 . A A . 9 GLY H 1 1 10 5007 1 1 10 GLY HA2 H 7.868 -2.077 0.961 1.00 . A A . 9 GLY HA2 1 1 10 5008 1 1 10 GLY HA3 H 6.122 -2.285 0.945 1.00 . A A . 9 GLY HA3 1 1 10 5009 1 1 10 GLY N N 7.198 -3.834 0.109 1.00 . A A . 9 GLY N 1 1 10 5010 1 1 10 GLY O O 6.433 -2.849 3.395 1.00 . A A . 9 GLY O 1 1 10 5011 1 1 11 ASP C C 9.544 -5.080 4.336 1.00 . A A . 10 ASP C 1 1 10 5012 1 1 11 ASP CA C 8.072 -5.012 3.964 1.00 . A A . 10 ASP CA 1 1 10 5013 1 1 11 ASP CB C 7.471 -6.423 3.935 1.00 . A A . 10 ASP CB 1 1 10 5014 1 1 11 ASP CG C 5.991 -6.424 3.600 1.00 . A A . 10 ASP CG 1 1 10 5015 1 1 11 ASP H H 8.434 -4.702 1.908 1.00 . A A . 10 ASP H 1 1 10 5016 1 1 11 ASP HA H 7.551 -4.420 4.698 1.00 . A A . 10 ASP HA 1 1 10 5017 1 1 11 ASP HB2 H 7.987 -7.008 3.191 1.00 . A A . 10 ASP HB2 1 1 10 5018 1 1 11 ASP HB3 H 7.603 -6.882 4.902 1.00 . A A . 10 ASP HB3 1 1 10 5019 1 1 11 ASP N N 7.921 -4.365 2.671 1.00 . A A . 10 ASP N 1 1 10 5020 1 1 11 ASP O O 10.003 -4.382 5.241 1.00 . A A . 10 ASP O 1 1 10 5021 1 1 11 ASP OD1 O 5.162 -6.334 4.532 1.00 . A A . 10 ASP OD1 1 1 10 5022 1 1 11 ASP OD2 O 5.646 -6.511 2.400 1.00 . A A . 10 ASP OD2 1 1 10 5023 1 1 12 ASN C C 12.486 -5.261 2.748 1.00 . A A . 11 ASN C 1 1 10 5024 1 1 12 ASN CA C 11.722 -6.030 3.820 1.00 . A A . 11 ASN CA 1 1 10 5025 1 1 12 ASN CB C 12.146 -7.504 3.816 1.00 . A A . 11 ASN CB 1 1 10 5026 1 1 12 ASN CG C 11.842 -8.218 2.506 1.00 . A A . 11 ASN CG 1 1 10 5027 1 1 12 ASN H H 9.857 -6.447 2.914 1.00 . A A . 11 ASN H 1 1 10 5028 1 1 12 ASN HA H 11.953 -5.601 4.782 1.00 . A A . 11 ASN HA 1 1 10 5029 1 1 12 ASN HB2 H 13.208 -7.564 3.995 1.00 . A A . 11 ASN HB2 1 1 10 5030 1 1 12 ASN HB3 H 11.626 -8.018 4.610 1.00 . A A . 11 ASN HB3 1 1 10 5031 1 1 12 ASN HD21 H 13.468 -9.339 2.704 1.00 . A A . 11 ASN HD21 1 1 10 5032 1 1 12 ASN HD22 H 12.525 -9.623 1.284 1.00 . A A . 11 ASN HD22 1 1 10 5033 1 1 12 ASN N N 10.285 -5.901 3.611 1.00 . A A . 11 ASN N 1 1 10 5034 1 1 12 ASN ND2 N 12.696 -9.155 2.128 1.00 . A A . 11 ASN ND2 1 1 10 5035 1 1 12 ASN O O 13.695 -5.434 2.577 1.00 . A A . 11 ASN O 1 1 10 5036 1 1 12 ASN OD1 O 10.850 -7.931 1.837 1.00 . A A . 11 ASN OD1 1 1 10 5037 1 1 13 ALA C C 13.210 -2.467 1.563 1.00 . A A . 12 ALA C 1 1 10 5038 1 1 13 ALA CA C 12.343 -3.582 0.987 1.00 . A A . 12 ALA CA 1 1 10 5039 1 1 13 ALA CB C 11.241 -2.999 0.118 1.00 . A A . 12 ALA CB 1 1 10 5040 1 1 13 ALA H H 10.814 -4.315 2.235 1.00 . A A . 12 ALA H 1 1 10 5041 1 1 13 ALA HA H 12.957 -4.216 0.368 1.00 . A A . 12 ALA HA 1 1 10 5042 1 1 13 ALA HB1 H 10.640 -2.320 0.705 1.00 . A A . 12 ALA HB1 1 1 10 5043 1 1 13 ALA HB2 H 10.619 -3.797 -0.257 1.00 . A A . 12 ALA HB2 1 1 10 5044 1 1 13 ALA HB3 H 11.679 -2.468 -0.712 1.00 . A A . 12 ALA HB3 1 1 10 5045 1 1 13 ALA N N 11.766 -4.400 2.042 1.00 . A A . 12 ALA N 1 1 10 5046 1 1 13 ALA O O 13.200 -2.215 2.770 1.00 . A A . 12 ALA O 1 1 10 5047 1 1 14 THR C C 14.045 0.467 1.624 1.00 . A A . 13 THR C 1 1 10 5048 1 1 14 THR CA C 14.836 -0.721 1.079 1.00 . A A . 13 THR CA 1 1 10 5049 1 1 14 THR CB C 15.696 -0.271 -0.116 1.00 . A A . 13 THR CB 1 1 10 5050 1 1 14 THR CG2 C 16.699 -1.349 -0.485 1.00 . A A . 13 THR CG2 1 1 10 5051 1 1 14 THR H H 13.918 -2.069 -0.257 1.00 . A A . 13 THR H 1 1 10 5052 1 1 14 THR HA H 15.497 -1.082 1.852 1.00 . A A . 13 THR HA 1 1 10 5053 1 1 14 THR HB H 16.236 0.617 0.166 1.00 . A A . 13 THR HB 1 1 10 5054 1 1 14 THR HG1 H 15.349 0.602 -1.854 1.00 . A A . 13 THR HG1 1 1 10 5055 1 1 14 THR HG21 H 17.354 -1.531 0.353 1.00 . A A . 13 THR HG21 1 1 10 5056 1 1 14 THR HG22 H 17.280 -1.025 -1.335 1.00 . A A . 13 THR HG22 1 1 10 5057 1 1 14 THR HG23 H 16.172 -2.259 -0.733 1.00 . A A . 13 THR HG23 1 1 10 5058 1 1 14 THR N N 13.957 -1.811 0.688 1.00 . A A . 13 THR N 1 1 10 5059 1 1 14 THR O O 12.876 0.651 1.282 1.00 . A A . 13 THR O 1 1 10 5060 1 1 14 THR OG1 O 14.866 0.025 -1.248 1.00 . A A . 13 THR OG1 1 1 10 5061 1 1 15 PRO C C 13.476 3.419 2.049 1.00 . A A . 14 PRO C 1 1 10 5062 1 1 15 PRO CA C 14.024 2.455 3.095 1.00 . A A . 14 PRO CA 1 1 10 5063 1 1 15 PRO CB C 15.150 3.117 3.906 1.00 . A A . 14 PRO CB 1 1 10 5064 1 1 15 PRO CD C 16.067 1.146 2.935 1.00 . A A . 14 PRO CD 1 1 10 5065 1 1 15 PRO CG C 16.414 2.537 3.383 1.00 . A A . 14 PRO CG 1 1 10 5066 1 1 15 PRO HA H 13.225 2.158 3.757 1.00 . A A . 14 PRO HA 1 1 10 5067 1 1 15 PRO HB2 H 15.129 4.188 3.757 1.00 . A A . 14 PRO HB2 1 1 10 5068 1 1 15 PRO HB3 H 15.044 2.881 4.952 1.00 . A A . 14 PRO HB3 1 1 10 5069 1 1 15 PRO HD2 H 16.708 0.836 2.126 1.00 . A A . 14 PRO HD2 1 1 10 5070 1 1 15 PRO HD3 H 16.134 0.450 3.758 1.00 . A A . 14 PRO HD3 1 1 10 5071 1 1 15 PRO HG2 H 16.771 3.136 2.550 1.00 . A A . 14 PRO HG2 1 1 10 5072 1 1 15 PRO HG3 H 17.153 2.498 4.170 1.00 . A A . 14 PRO HG3 1 1 10 5073 1 1 15 PRO N N 14.674 1.288 2.484 1.00 . A A . 14 PRO N 1 1 10 5074 1 1 15 PRO O O 12.429 4.040 2.243 1.00 . A A . 14 PRO O 1 1 10 5075 1 1 16 GLU C C 12.470 3.820 -0.770 1.00 . A A . 15 GLU C 1 1 10 5076 1 1 16 GLU CA C 13.763 4.366 -0.172 1.00 . A A . 15 GLU CA 1 1 10 5077 1 1 16 GLU CB C 14.856 4.415 -1.238 1.00 . A A . 15 GLU CB 1 1 10 5078 1 1 16 GLU CD C 15.493 5.098 -3.580 1.00 . A A . 15 GLU CD 1 1 10 5079 1 1 16 GLU CG C 14.479 5.228 -2.466 1.00 . A A . 15 GLU CG 1 1 10 5080 1 1 16 GLU H H 15.030 3.029 0.859 1.00 . A A . 15 GLU H 1 1 10 5081 1 1 16 GLU HA H 13.588 5.361 0.205 1.00 . A A . 15 GLU HA 1 1 10 5082 1 1 16 GLU HB2 H 15.747 4.847 -0.803 1.00 . A A . 15 GLU HB2 1 1 10 5083 1 1 16 GLU HB3 H 15.077 3.405 -1.554 1.00 . A A . 15 GLU HB3 1 1 10 5084 1 1 16 GLU HG2 H 13.519 4.890 -2.831 1.00 . A A . 15 GLU HG2 1 1 10 5085 1 1 16 GLU HG3 H 14.409 6.269 -2.183 1.00 . A A . 15 GLU HG3 1 1 10 5086 1 1 16 GLU N N 14.192 3.530 0.938 1.00 . A A . 15 GLU N 1 1 10 5087 1 1 16 GLU O O 11.552 4.572 -1.109 1.00 . A A . 15 GLU O 1 1 10 5088 1 1 16 GLU OE1 O 15.617 3.999 -4.155 1.00 . A A . 15 GLU OE1 1 1 10 5089 1 1 16 GLU OE2 O 16.174 6.101 -3.893 1.00 . A A . 15 GLU OE2 1 1 10 5090 1 1 17 LYS C C 10.069 1.851 -0.524 1.00 . A A . 16 LYS C 1 1 10 5091 1 1 17 LYS CA C 11.262 1.829 -1.465 1.00 . A A . 16 LYS CA 1 1 10 5092 1 1 17 LYS CB C 11.635 0.386 -1.812 1.00 . A A . 16 LYS CB 1 1 10 5093 1 1 17 LYS CD C 10.132 0.314 -3.821 1.00 . A A . 16 LYS CD 1 1 10 5094 1 1 17 LYS CE C 9.145 -0.519 -4.616 1.00 . A A . 16 LYS CE 1 1 10 5095 1 1 17 LYS CG C 10.540 -0.382 -2.534 1.00 . A A . 16 LYS CG 1 1 10 5096 1 1 17 LYS H H 13.136 1.961 -0.511 1.00 . A A . 16 LYS H 1 1 10 5097 1 1 17 LYS HA H 11.004 2.355 -2.367 1.00 . A A . 16 LYS HA 1 1 10 5098 1 1 17 LYS HB2 H 12.512 0.397 -2.444 1.00 . A A . 16 LYS HB2 1 1 10 5099 1 1 17 LYS HB3 H 11.870 -0.138 -0.897 1.00 . A A . 16 LYS HB3 1 1 10 5100 1 1 17 LYS HD2 H 9.673 1.260 -3.578 1.00 . A A . 16 LYS HD2 1 1 10 5101 1 1 17 LYS HD3 H 11.013 0.484 -4.423 1.00 . A A . 16 LYS HD3 1 1 10 5102 1 1 17 LYS HE2 H 8.875 0.024 -5.509 1.00 . A A . 16 LYS HE2 1 1 10 5103 1 1 17 LYS HE3 H 9.619 -1.448 -4.892 1.00 . A A . 16 LYS HE3 1 1 10 5104 1 1 17 LYS HG2 H 10.903 -1.371 -2.771 1.00 . A A . 16 LYS HG2 1 1 10 5105 1 1 17 LYS HG3 H 9.680 -0.456 -1.886 1.00 . A A . 16 LYS HG3 1 1 10 5106 1 1 17 LYS HZ1 H 7.436 0.065 -3.560 1.00 . A A . 16 LYS HZ1 1 1 10 5107 1 1 17 LYS HZ2 H 8.134 -1.367 -2.985 1.00 . A A . 16 LYS HZ2 1 1 10 5108 1 1 17 LYS HZ3 H 7.249 -1.372 -4.429 1.00 . A A . 16 LYS HZ3 1 1 10 5109 1 1 17 LYS N N 12.400 2.501 -0.865 1.00 . A A . 16 LYS N 1 1 10 5110 1 1 17 LYS NZ N 7.907 -0.819 -3.843 1.00 . A A . 16 LYS NZ 1 1 10 5111 1 1 17 LYS O O 8.927 1.991 -0.962 1.00 . A A . 16 LYS O 1 1 10 5112 1 1 18 LEU C C 8.571 3.097 1.746 1.00 . A A . 17 LEU C 1 1 10 5113 1 1 18 LEU CA C 9.299 1.762 1.779 1.00 . A A . 17 LEU CA 1 1 10 5114 1 1 18 LEU CB C 9.890 1.522 3.168 1.00 . A A . 17 LEU CB 1 1 10 5115 1 1 18 LEU CD1 C 11.007 -0.009 4.803 1.00 . A A . 17 LEU CD1 1 1 10 5116 1 1 18 LEU CD2 C 9.502 -0.948 3.049 1.00 . A A . 17 LEU CD2 1 1 10 5117 1 1 18 LEU CG C 10.508 0.141 3.378 1.00 . A A . 17 LEU CG 1 1 10 5118 1 1 18 LEU H H 11.273 1.582 1.048 1.00 . A A . 17 LEU H 1 1 10 5119 1 1 18 LEU HA H 8.597 0.975 1.556 1.00 . A A . 17 LEU HA 1 1 10 5120 1 1 18 LEU HB2 H 10.653 2.263 3.342 1.00 . A A . 17 LEU HB2 1 1 10 5121 1 1 18 LEU HB3 H 9.107 1.657 3.898 1.00 . A A . 17 LEU HB3 1 1 10 5122 1 1 18 LEU HD11 H 11.496 -0.965 4.916 1.00 . A A . 17 LEU HD11 1 1 10 5123 1 1 18 LEU HD12 H 10.171 0.050 5.483 1.00 . A A . 17 LEU HD12 1 1 10 5124 1 1 18 LEU HD13 H 11.705 0.782 5.025 1.00 . A A . 17 LEU HD13 1 1 10 5125 1 1 18 LEU HD21 H 9.911 -1.909 3.316 1.00 . A A . 17 LEU HD21 1 1 10 5126 1 1 18 LEU HD22 H 9.289 -0.930 1.990 1.00 . A A . 17 LEU HD22 1 1 10 5127 1 1 18 LEU HD23 H 8.590 -0.776 3.601 1.00 . A A . 17 LEU HD23 1 1 10 5128 1 1 18 LEU HG H 11.355 0.026 2.716 1.00 . A A . 17 LEU HG 1 1 10 5129 1 1 18 LEU N N 10.343 1.722 0.768 1.00 . A A . 17 LEU N 1 1 10 5130 1 1 18 LEU O O 7.360 3.157 1.947 1.00 . A A . 17 LEU O 1 1 10 5131 1 1 19 ALA C C 7.749 5.590 0.231 1.00 . A A . 18 ALA C 1 1 10 5132 1 1 19 ALA CA C 8.740 5.491 1.384 1.00 . A A . 18 ALA CA 1 1 10 5133 1 1 19 ALA CB C 9.839 6.522 1.227 1.00 . A A . 18 ALA CB 1 1 10 5134 1 1 19 ALA H H 10.273 4.044 1.318 1.00 . A A . 18 ALA H 1 1 10 5135 1 1 19 ALA HA H 8.222 5.686 2.309 1.00 . A A . 18 ALA HA 1 1 10 5136 1 1 19 ALA HB1 H 10.354 6.357 0.293 1.00 . A A . 18 ALA HB1 1 1 10 5137 1 1 19 ALA HB2 H 10.537 6.428 2.045 1.00 . A A . 18 ALA HB2 1 1 10 5138 1 1 19 ALA HB3 H 9.407 7.511 1.233 1.00 . A A . 18 ALA HB3 1 1 10 5139 1 1 19 ALA N N 9.312 4.158 1.465 1.00 . A A . 18 ALA N 1 1 10 5140 1 1 19 ALA O O 6.666 6.160 0.376 1.00 . A A . 18 ALA O 1 1 10 5141 1 1 20 LYS C C 6.086 4.060 -1.855 1.00 . A A . 19 LYS C 1 1 10 5142 1 1 20 LYS CA C 7.232 5.042 -2.068 1.00 . A A . 19 LYS CA 1 1 10 5143 1 1 20 LYS CB C 7.993 4.702 -3.351 1.00 . A A . 19 LYS CB 1 1 10 5144 1 1 20 LYS CD C 7.987 4.730 -5.876 1.00 . A A . 19 LYS CD 1 1 10 5145 1 1 20 LYS CE C 8.106 3.232 -6.107 1.00 . A A . 19 LYS CE 1 1 10 5146 1 1 20 LYS CG C 7.215 5.050 -4.607 1.00 . A A . 19 LYS CG 1 1 10 5147 1 1 20 LYS H H 8.999 4.604 -0.985 1.00 . A A . 19 LYS H 1 1 10 5148 1 1 20 LYS HA H 6.821 6.037 -2.156 1.00 . A A . 19 LYS HA 1 1 10 5149 1 1 20 LYS HB2 H 8.923 5.250 -3.362 1.00 . A A . 19 LYS HB2 1 1 10 5150 1 1 20 LYS HB3 H 8.206 3.644 -3.362 1.00 . A A . 19 LYS HB3 1 1 10 5151 1 1 20 LYS HD2 H 7.475 5.172 -6.717 1.00 . A A . 19 LYS HD2 1 1 10 5152 1 1 20 LYS HD3 H 8.978 5.152 -5.795 1.00 . A A . 19 LYS HD3 1 1 10 5153 1 1 20 LYS HE2 H 8.735 2.810 -5.338 1.00 . A A . 19 LYS HE2 1 1 10 5154 1 1 20 LYS HE3 H 7.122 2.792 -6.047 1.00 . A A . 19 LYS HE3 1 1 10 5155 1 1 20 LYS HG2 H 6.296 4.488 -4.611 1.00 . A A . 19 LYS HG2 1 1 10 5156 1 1 20 LYS HG3 H 6.989 6.104 -4.592 1.00 . A A . 19 LYS HG3 1 1 10 5157 1 1 20 LYS HZ1 H 8.796 1.901 -7.560 1.00 . A A . 19 LYS HZ1 1 1 10 5158 1 1 20 LYS HZ2 H 9.631 3.369 -7.522 1.00 . A A . 19 LYS HZ2 1 1 10 5159 1 1 20 LYS HZ3 H 8.080 3.298 -8.190 1.00 . A A . 19 LYS HZ3 1 1 10 5160 1 1 20 LYS N N 8.117 5.029 -0.915 1.00 . A A . 19 LYS N 1 1 10 5161 1 1 20 LYS NZ N 8.695 2.929 -7.436 1.00 . A A . 19 LYS NZ 1 1 10 5162 1 1 20 LYS O O 4.969 4.271 -2.329 1.00 . A A . 19 LYS O 1 1 10 5163 1 1 21 TYR C C 4.296 2.671 0.118 1.00 . A A . 20 TYR C 1 1 10 5164 1 1 21 TYR CA C 5.355 2.022 -0.757 1.00 . A A . 20 TYR CA 1 1 10 5165 1 1 21 TYR CB C 5.988 0.834 -0.026 1.00 . A A . 20 TYR CB 1 1 10 5166 1 1 21 TYR CD1 C 4.302 -1.040 -0.230 1.00 . A A . 20 TYR CD1 1 1 10 5167 1 1 21 TYR CD2 C 4.717 -0.129 1.934 1.00 . A A . 20 TYR CD2 1 1 10 5168 1 1 21 TYR CE1 C 3.386 -1.920 0.313 1.00 . A A . 20 TYR CE1 1 1 10 5169 1 1 21 TYR CE2 C 3.802 -1.005 2.483 1.00 . A A . 20 TYR CE2 1 1 10 5170 1 1 21 TYR CG C 4.982 -0.130 0.568 1.00 . A A . 20 TYR CG 1 1 10 5171 1 1 21 TYR CZ C 3.139 -1.898 1.669 1.00 . A A . 20 TYR CZ 1 1 10 5172 1 1 21 TYR H H 7.300 2.846 -0.834 1.00 . A A . 20 TYR H 1 1 10 5173 1 1 21 TYR HA H 4.887 1.670 -1.664 1.00 . A A . 20 TYR HA 1 1 10 5174 1 1 21 TYR HB2 H 6.608 0.283 -0.718 1.00 . A A . 20 TYR HB2 1 1 10 5175 1 1 21 TYR HB3 H 6.603 1.209 0.780 1.00 . A A . 20 TYR HB3 1 1 10 5176 1 1 21 TYR HD1 H 4.495 -1.057 -1.293 1.00 . A A . 20 TYR HD1 1 1 10 5177 1 1 21 TYR HD2 H 5.237 0.571 2.570 1.00 . A A . 20 TYR HD2 1 1 10 5178 1 1 21 TYR HE1 H 2.867 -2.621 -0.323 1.00 . A A . 20 TYR HE1 1 1 10 5179 1 1 21 TYR HE2 H 3.609 -0.988 3.545 1.00 . A A . 20 TYR HE2 1 1 10 5180 1 1 21 TYR HH H 2.370 -3.653 1.835 1.00 . A A . 20 TYR HH 1 1 10 5181 1 1 21 TYR N N 6.372 2.991 -1.127 1.00 . A A . 20 TYR N 1 1 10 5182 1 1 21 TYR O O 3.108 2.449 -0.080 1.00 . A A . 20 TYR O 1 1 10 5183 1 1 21 TYR OH O 2.227 -2.775 2.211 1.00 . A A . 20 TYR OH 1 1 10 5184 1 1 22 GLN C C 2.869 5.087 1.249 1.00 . A A . 21 GLN C 1 1 10 5185 1 1 22 GLN CA C 3.814 4.153 1.989 1.00 . A A . 21 GLN CA 1 1 10 5186 1 1 22 GLN CB C 4.576 4.923 3.065 1.00 . A A . 21 GLN CB 1 1 10 5187 1 1 22 GLN CD C 4.222 3.078 4.750 1.00 . A A . 21 GLN CD 1 1 10 5188 1 1 22 GLN CG C 5.221 4.021 4.103 1.00 . A A . 21 GLN CG 1 1 10 5189 1 1 22 GLN H H 5.701 3.634 1.174 1.00 . A A . 21 GLN H 1 1 10 5190 1 1 22 GLN HA H 3.227 3.388 2.469 1.00 . A A . 21 GLN HA 1 1 10 5191 1 1 22 GLN HB2 H 5.352 5.509 2.591 1.00 . A A . 21 GLN HB2 1 1 10 5192 1 1 22 GLN HB3 H 3.892 5.588 3.568 1.00 . A A . 21 GLN HB3 1 1 10 5193 1 1 22 GLN HE21 H 5.640 1.714 5.024 1.00 . A A . 21 GLN HE21 1 1 10 5194 1 1 22 GLN HE22 H 4.059 1.279 5.575 1.00 . A A . 21 GLN HE22 1 1 10 5195 1 1 22 GLN HG2 H 5.991 3.435 3.622 1.00 . A A . 21 GLN HG2 1 1 10 5196 1 1 22 GLN HG3 H 5.665 4.637 4.871 1.00 . A A . 21 GLN HG3 1 1 10 5197 1 1 22 GLN N N 4.733 3.485 1.075 1.00 . A A . 21 GLN N 1 1 10 5198 1 1 22 GLN NE2 N 4.687 1.908 5.157 1.00 . A A . 21 GLN NE2 1 1 10 5199 1 1 22 GLN O O 1.732 5.288 1.671 1.00 . A A . 21 GLN O 1 1 10 5200 1 1 22 GLN OE1 O 3.038 3.397 4.880 1.00 . A A . 21 GLN OE1 1 1 10 5201 1 1 23 ALA C C 1.349 5.745 -1.289 1.00 . A A . 22 ALA C 1 1 10 5202 1 1 23 ALA CA C 2.518 6.515 -0.682 1.00 . A A . 22 ALA CA 1 1 10 5203 1 1 23 ALA CB C 3.364 7.153 -1.773 1.00 . A A . 22 ALA CB 1 1 10 5204 1 1 23 ALA H H 4.261 5.458 -0.131 1.00 . A A . 22 ALA H 1 1 10 5205 1 1 23 ALA HA H 2.129 7.299 -0.050 1.00 . A A . 22 ALA HA 1 1 10 5206 1 1 23 ALA HB1 H 4.168 7.716 -1.323 1.00 . A A . 22 ALA HB1 1 1 10 5207 1 1 23 ALA HB2 H 2.750 7.813 -2.367 1.00 . A A . 22 ALA HB2 1 1 10 5208 1 1 23 ALA HB3 H 3.778 6.380 -2.404 1.00 . A A . 22 ALA HB3 1 1 10 5209 1 1 23 ALA N N 3.337 5.640 0.140 1.00 . A A . 22 ALA N 1 1 10 5210 1 1 23 ALA O O 0.219 6.231 -1.333 1.00 . A A . 22 ALA O 1 1 10 5211 1 1 24 ASP C C -0.198 2.958 -1.268 1.00 . A A . 23 ASP C 1 1 10 5212 1 1 24 ASP CA C 0.606 3.683 -2.344 1.00 . A A . 23 ASP CA 1 1 10 5213 1 1 24 ASP CB C 1.259 2.680 -3.296 1.00 . A A . 23 ASP CB 1 1 10 5214 1 1 24 ASP CG C 0.259 1.758 -3.960 1.00 . A A . 23 ASP CG 1 1 10 5215 1 1 24 ASP H H 2.543 4.190 -1.650 1.00 . A A . 23 ASP H 1 1 10 5216 1 1 24 ASP HA H -0.063 4.322 -2.905 1.00 . A A . 23 ASP HA 1 1 10 5217 1 1 24 ASP HB2 H 1.788 3.219 -4.070 1.00 . A A . 23 ASP HB2 1 1 10 5218 1 1 24 ASP HB3 H 1.964 2.076 -2.740 1.00 . A A . 23 ASP HB3 1 1 10 5219 1 1 24 ASP N N 1.626 4.529 -1.735 1.00 . A A . 23 ASP N 1 1 10 5220 1 1 24 ASP O O -1.401 2.740 -1.407 1.00 . A A . 23 ASP O 1 1 10 5221 1 1 24 ASP OD1 O 0.454 0.525 -3.912 1.00 . A A . 23 ASP OD1 1 1 10 5222 1 1 24 ASP OD2 O -0.749 2.262 -4.504 1.00 . A A . 23 ASP OD2 1 1 10 5223 1 1 25 LEU C C -1.176 2.928 1.568 1.00 . A A . 24 LEU C 1 1 10 5224 1 1 25 LEU CA C -0.145 1.975 0.966 1.00 . A A . 24 LEU CA 1 1 10 5225 1 1 25 LEU CB C 0.941 1.592 1.993 1.00 . A A . 24 LEU CB 1 1 10 5226 1 1 25 LEU CD1 C -0.115 1.602 4.275 1.00 . A A . 24 LEU CD1 1 1 10 5227 1 1 25 LEU CD2 C -0.451 -0.356 2.761 1.00 . A A . 24 LEU CD2 1 1 10 5228 1 1 25 LEU CG C 0.509 0.739 3.193 1.00 . A A . 24 LEU CG 1 1 10 5229 1 1 25 LEU H H 1.452 2.774 -0.164 1.00 . A A . 24 LEU H 1 1 10 5230 1 1 25 LEU HA H -0.651 1.081 0.625 1.00 . A A . 24 LEU HA 1 1 10 5231 1 1 25 LEU HB2 H 1.722 1.055 1.472 1.00 . A A . 24 LEU HB2 1 1 10 5232 1 1 25 LEU HB3 H 1.363 2.506 2.376 1.00 . A A . 24 LEU HB3 1 1 10 5233 1 1 25 LEU HD11 H 0.610 2.324 4.620 1.00 . A A . 24 LEU HD11 1 1 10 5234 1 1 25 LEU HD12 H -0.424 0.980 5.100 1.00 . A A . 24 LEU HD12 1 1 10 5235 1 1 25 LEU HD13 H -0.972 2.119 3.870 1.00 . A A . 24 LEU HD13 1 1 10 5236 1 1 25 LEU HD21 H 0.044 -1.013 2.062 1.00 . A A . 24 LEU HD21 1 1 10 5237 1 1 25 LEU HD22 H -1.312 0.088 2.289 1.00 . A A . 24 LEU HD22 1 1 10 5238 1 1 25 LEU HD23 H -0.766 -0.922 3.625 1.00 . A A . 24 LEU HD23 1 1 10 5239 1 1 25 LEU HG H 1.383 0.264 3.616 1.00 . A A . 24 LEU HG 1 1 10 5240 1 1 25 LEU N N 0.484 2.607 -0.186 1.00 . A A . 24 LEU N 1 1 10 5241 1 1 25 LEU O O -2.225 2.502 2.049 1.00 . A A . 24 LEU O 1 1 10 5242 1 1 26 ALA C C -3.091 5.215 1.172 1.00 . A A . 25 ALA C 1 1 10 5243 1 1 26 ALA CA C -1.797 5.248 1.975 1.00 . A A . 25 ALA CA 1 1 10 5244 1 1 26 ALA CB C -1.148 6.615 1.868 1.00 . A A . 25 ALA CB 1 1 10 5245 1 1 26 ALA H H 0.002 4.493 1.167 1.00 . A A . 25 ALA H 1 1 10 5246 1 1 26 ALA HA H -2.019 5.060 3.014 1.00 . A A . 25 ALA HA 1 1 10 5247 1 1 26 ALA HB1 H -1.813 7.363 2.270 1.00 . A A . 25 ALA HB1 1 1 10 5248 1 1 26 ALA HB2 H -0.943 6.833 0.831 1.00 . A A . 25 ALA HB2 1 1 10 5249 1 1 26 ALA HB3 H -0.223 6.617 2.425 1.00 . A A . 25 ALA HB3 1 1 10 5250 1 1 26 ALA N N -0.875 4.221 1.515 1.00 . A A . 25 ALA N 1 1 10 5251 1 1 26 ALA O O -4.177 5.434 1.710 1.00 . A A . 25 ALA O 1 1 10 5252 1 1 27 LYS C C -4.931 3.575 -0.641 1.00 . A A . 26 LYS C 1 1 10 5253 1 1 27 LYS CA C -4.127 4.822 -0.990 1.00 . A A . 26 LYS CA 1 1 10 5254 1 1 27 LYS CB C -3.699 4.789 -2.459 1.00 . A A . 26 LYS CB 1 1 10 5255 1 1 27 LYS CD C -4.423 4.895 -4.872 1.00 . A A . 26 LYS CD 1 1 10 5256 1 1 27 LYS CE C -3.797 6.254 -5.145 1.00 . A A . 26 LYS CE 1 1 10 5257 1 1 27 LYS CG C -4.873 4.767 -3.426 1.00 . A A . 26 LYS CG 1 1 10 5258 1 1 27 LYS H H -2.073 4.789 -0.494 1.00 . A A . 26 LYS H 1 1 10 5259 1 1 27 LYS HA H -4.746 5.691 -0.823 1.00 . A A . 26 LYS HA 1 1 10 5260 1 1 27 LYS HB2 H -3.100 5.662 -2.667 1.00 . A A . 26 LYS HB2 1 1 10 5261 1 1 27 LYS HB3 H -3.103 3.906 -2.630 1.00 . A A . 26 LYS HB3 1 1 10 5262 1 1 27 LYS HD2 H -3.695 4.126 -5.081 1.00 . A A . 26 LYS HD2 1 1 10 5263 1 1 27 LYS HD3 H -5.279 4.768 -5.518 1.00 . A A . 26 LYS HD3 1 1 10 5264 1 1 27 LYS HE2 H -2.896 6.348 -4.558 1.00 . A A . 26 LYS HE2 1 1 10 5265 1 1 27 LYS HE3 H -3.548 6.317 -6.194 1.00 . A A . 26 LYS HE3 1 1 10 5266 1 1 27 LYS HG2 H -5.404 3.836 -3.309 1.00 . A A . 26 LYS HG2 1 1 10 5267 1 1 27 LYS HG3 H -5.534 5.589 -3.191 1.00 . A A . 26 LYS HG3 1 1 10 5268 1 1 27 LYS HZ1 H -5.610 7.277 -5.323 1.00 . A A . 26 LYS HZ1 1 1 10 5269 1 1 27 LYS HZ2 H -4.279 8.281 -5.046 1.00 . A A . 26 LYS HZ2 1 1 10 5270 1 1 27 LYS HZ3 H -4.921 7.365 -3.781 1.00 . A A . 26 LYS HZ3 1 1 10 5271 1 1 27 LYS N N -2.967 4.930 -0.120 1.00 . A A . 26 LYS N 1 1 10 5272 1 1 27 LYS NZ N -4.716 7.371 -4.800 1.00 . A A . 26 LYS NZ 1 1 10 5273 1 1 27 LYS O O -6.162 3.593 -0.654 1.00 . A A . 26 LYS O 1 1 10 5274 1 1 28 TYR C C -5.655 1.568 1.436 1.00 . A A . 27 TYR C 1 1 10 5275 1 1 28 TYR CA C -4.871 1.281 0.160 1.00 . A A . 27 TYR CA 1 1 10 5276 1 1 28 TYR CB C -3.832 0.178 0.410 1.00 . A A . 27 TYR CB 1 1 10 5277 1 1 28 TYR CD1 C -5.091 -2.012 0.404 1.00 . A A . 27 TYR CD1 1 1 10 5278 1 1 28 TYR CD2 C -4.221 -1.221 2.478 1.00 . A A . 27 TYR CD2 1 1 10 5279 1 1 28 TYR CE1 C -5.598 -3.128 1.036 1.00 . A A . 27 TYR CE1 1 1 10 5280 1 1 28 TYR CE2 C -4.727 -2.337 3.116 1.00 . A A . 27 TYR CE2 1 1 10 5281 1 1 28 TYR CG C -4.394 -1.039 1.112 1.00 . A A . 27 TYR CG 1 1 10 5282 1 1 28 TYR CZ C -5.438 -3.262 2.413 1.00 . A A . 27 TYR CZ 1 1 10 5283 1 1 28 TYR H H -3.246 2.526 -0.387 1.00 . A A . 27 TYR H 1 1 10 5284 1 1 28 TYR HA H -5.559 0.954 -0.604 1.00 . A A . 27 TYR HA 1 1 10 5285 1 1 28 TYR HB2 H -3.421 -0.145 -0.535 1.00 . A A . 27 TYR HB2 1 1 10 5286 1 1 28 TYR HB3 H -3.039 0.577 1.020 1.00 . A A . 27 TYR HB3 1 1 10 5287 1 1 28 TYR HD1 H -5.236 -1.886 -0.658 1.00 . A A . 27 TYR HD1 1 1 10 5288 1 1 28 TYR HD2 H -3.684 -0.476 3.044 1.00 . A A . 27 TYR HD2 1 1 10 5289 1 1 28 TYR HE1 H -6.135 -3.871 0.468 1.00 . A A . 27 TYR HE1 1 1 10 5290 1 1 28 TYR HE2 H -4.585 -2.460 4.178 1.00 . A A . 27 TYR HE2 1 1 10 5291 1 1 28 TYR HH H -5.824 -5.166 2.446 1.00 . A A . 27 TYR HH 1 1 10 5292 1 1 28 TYR N N -4.225 2.499 -0.309 1.00 . A A . 27 TYR N 1 1 10 5293 1 1 28 TYR O O -6.783 1.105 1.600 1.00 . A A . 27 TYR O 1 1 10 5294 1 1 28 TYR OH O -5.913 -4.399 3.025 1.00 . A A . 27 TYR OH 1 1 10 5295 1 1 29 GLN C C -6.947 3.573 3.273 1.00 . A A . 28 GLN C 1 1 10 5296 1 1 29 GLN CA C -5.699 2.753 3.567 1.00 . A A . 28 GLN CA 1 1 10 5297 1 1 29 GLN CB C -4.749 3.579 4.437 1.00 . A A . 28 GLN CB 1 1 10 5298 1 1 29 GLN CD C -2.599 3.682 5.750 1.00 . A A . 28 GLN CD 1 1 10 5299 1 1 29 GLN CG C -3.566 2.795 4.987 1.00 . A A . 28 GLN CG 1 1 10 5300 1 1 29 GLN H H -4.136 2.653 2.147 1.00 . A A . 28 GLN H 1 1 10 5301 1 1 29 GLN HA H -5.985 1.860 4.101 1.00 . A A . 28 GLN HA 1 1 10 5302 1 1 29 GLN HB2 H -4.364 4.399 3.847 1.00 . A A . 28 GLN HB2 1 1 10 5303 1 1 29 GLN HB3 H -5.305 3.982 5.270 1.00 . A A . 28 GLN HB3 1 1 10 5304 1 1 29 GLN HE21 H -2.073 2.170 6.930 1.00 . A A . 28 GLN HE21 1 1 10 5305 1 1 29 GLN HE22 H -1.290 3.678 7.244 1.00 . A A . 28 GLN HE22 1 1 10 5306 1 1 29 GLN HG2 H -3.936 2.026 5.653 1.00 . A A . 28 GLN HG2 1 1 10 5307 1 1 29 GLN HG3 H -3.038 2.334 4.164 1.00 . A A . 28 GLN HG3 1 1 10 5308 1 1 29 GLN N N -5.050 2.346 2.328 1.00 . A A . 28 GLN N 1 1 10 5309 1 1 29 GLN NE2 N -1.919 3.121 6.740 1.00 . A A . 28 GLN NE2 1 1 10 5310 1 1 29 GLN O O -7.971 3.419 3.939 1.00 . A A . 28 GLN O 1 1 10 5311 1 1 29 GLN OE1 O -2.459 4.866 5.448 1.00 . A A . 28 GLN OE1 1 1 10 5312 1 1 30 LYS C C -9.138 4.445 1.381 1.00 . A A . 29 LYS C 1 1 10 5313 1 1 30 LYS CA C -7.967 5.290 1.884 1.00 . A A . 29 LYS CA 1 1 10 5314 1 1 30 LYS CB C -7.525 6.292 0.814 1.00 . A A . 29 LYS CB 1 1 10 5315 1 1 30 LYS CD C -8.950 8.177 1.701 1.00 . A A . 29 LYS CD 1 1 10 5316 1 1 30 LYS CE C -7.766 8.968 2.233 1.00 . A A . 29 LYS CE 1 1 10 5317 1 1 30 LYS CG C -8.574 7.344 0.482 1.00 . A A . 29 LYS CG 1 1 10 5318 1 1 30 LYS H H -6.002 4.518 1.789 1.00 . A A . 29 LYS H 1 1 10 5319 1 1 30 LYS HA H -8.285 5.832 2.760 1.00 . A A . 29 LYS HA 1 1 10 5320 1 1 30 LYS HB2 H -6.635 6.797 1.158 1.00 . A A . 29 LYS HB2 1 1 10 5321 1 1 30 LYS HB3 H -7.292 5.750 -0.093 1.00 . A A . 29 LYS HB3 1 1 10 5322 1 1 30 LYS HD2 H -9.733 8.867 1.422 1.00 . A A . 29 LYS HD2 1 1 10 5323 1 1 30 LYS HD3 H -9.311 7.519 2.477 1.00 . A A . 29 LYS HD3 1 1 10 5324 1 1 30 LYS HE2 H -6.956 8.286 2.440 1.00 . A A . 29 LYS HE2 1 1 10 5325 1 1 30 LYS HE3 H -7.455 9.677 1.480 1.00 . A A . 29 LYS HE3 1 1 10 5326 1 1 30 LYS HG2 H -8.184 8.000 -0.281 1.00 . A A . 29 LYS HG2 1 1 10 5327 1 1 30 LYS HG3 H -9.459 6.848 0.112 1.00 . A A . 29 LYS HG3 1 1 10 5328 1 1 30 LYS HZ1 H -8.935 10.310 3.325 1.00 . A A . 29 LYS HZ1 1 1 10 5329 1 1 30 LYS HZ2 H -7.308 10.296 3.772 1.00 . A A . 29 LYS HZ2 1 1 10 5330 1 1 30 LYS HZ3 H -8.320 9.031 4.245 1.00 . A A . 29 LYS HZ3 1 1 10 5331 1 1 30 LYS N N -6.853 4.441 2.273 1.00 . A A . 29 LYS N 1 1 10 5332 1 1 30 LYS NZ N -8.106 9.702 3.479 1.00 . A A . 29 LYS NZ 1 1 10 5333 1 1 30 LYS O O -10.274 4.620 1.825 1.00 . A A . 29 LYS O 1 1 10 5334 1 1 31 ASP C C -10.414 1.744 1.107 1.00 . A A . 30 ASP C 1 1 10 5335 1 1 31 ASP CA C -9.874 2.600 -0.030 1.00 . A A . 30 ASP CA 1 1 10 5336 1 1 31 ASP CB C -9.320 1.687 -1.132 1.00 . A A . 30 ASP CB 1 1 10 5337 1 1 31 ASP CG C -9.248 2.347 -2.496 1.00 . A A . 30 ASP CG 1 1 10 5338 1 1 31 ASP H H -7.932 3.449 0.125 1.00 . A A . 30 ASP H 1 1 10 5339 1 1 31 ASP HA H -10.681 3.192 -0.435 1.00 . A A . 30 ASP HA 1 1 10 5340 1 1 31 ASP HB2 H -8.322 1.373 -0.858 1.00 . A A . 30 ASP HB2 1 1 10 5341 1 1 31 ASP HB3 H -9.957 0.817 -1.210 1.00 . A A . 30 ASP HB3 1 1 10 5342 1 1 31 ASP N N -8.851 3.517 0.470 1.00 . A A . 30 ASP N 1 1 10 5343 1 1 31 ASP O O -11.610 1.458 1.172 1.00 . A A . 30 ASP O 1 1 10 5344 1 1 31 ASP OD1 O -8.193 2.919 -2.833 1.00 . A A . 30 ASP OD1 1 1 10 5345 1 1 31 ASP OD2 O -10.243 2.268 -3.252 1.00 . A A . 30 ASP OD2 1 1 10 5346 1 1 32 LEU C C -10.825 1.275 4.083 1.00 . A A . 31 LEU C 1 1 10 5347 1 1 32 LEU CA C -9.873 0.524 3.157 1.00 . A A . 31 LEU CA 1 1 10 5348 1 1 32 LEU CB C -8.604 0.123 3.916 1.00 . A A . 31 LEU CB 1 1 10 5349 1 1 32 LEU CD1 C -9.210 -2.278 4.323 1.00 . A A . 31 LEU CD1 1 1 10 5350 1 1 32 LEU CD2 C -7.464 -1.163 5.721 1.00 . A A . 31 LEU CD2 1 1 10 5351 1 1 32 LEU CG C -8.769 -0.973 4.968 1.00 . A A . 31 LEU CG 1 1 10 5352 1 1 32 LEU H H -8.579 1.605 1.879 1.00 . A A . 31 LEU H 1 1 10 5353 1 1 32 LEU HA H -10.367 -0.363 2.798 1.00 . A A . 31 LEU HA 1 1 10 5354 1 1 32 LEU HB2 H -7.870 -0.212 3.196 1.00 . A A . 31 LEU HB2 1 1 10 5355 1 1 32 LEU HB3 H -8.216 1.003 4.410 1.00 . A A . 31 LEU HB3 1 1 10 5356 1 1 32 LEU HD11 H -8.527 -2.534 3.525 1.00 . A A . 31 LEU HD11 1 1 10 5357 1 1 32 LEU HD12 H -10.206 -2.165 3.923 1.00 . A A . 31 LEU HD12 1 1 10 5358 1 1 32 LEU HD13 H -9.206 -3.062 5.063 1.00 . A A . 31 LEU HD13 1 1 10 5359 1 1 32 LEU HD21 H -7.200 -0.242 6.217 1.00 . A A . 31 LEU HD21 1 1 10 5360 1 1 32 LEU HD22 H -6.684 -1.433 5.024 1.00 . A A . 31 LEU HD22 1 1 10 5361 1 1 32 LEU HD23 H -7.580 -1.948 6.454 1.00 . A A . 31 LEU HD23 1 1 10 5362 1 1 32 LEU HG H -9.528 -0.674 5.678 1.00 . A A . 31 LEU HG 1 1 10 5363 1 1 32 LEU N N -9.519 1.344 2.003 1.00 . A A . 31 LEU N 1 1 10 5364 1 1 32 LEU O O -11.779 0.701 4.606 1.00 . A A . 31 LEU O 1 1 10 5365 1 1 33 ALA C C -12.777 3.558 4.483 1.00 . A A . 32 ALA C 1 1 10 5366 1 1 33 ALA CA C -11.394 3.413 5.098 1.00 . A A . 32 ALA CA 1 1 10 5367 1 1 33 ALA CB C -10.752 4.777 5.264 1.00 . A A . 32 ALA CB 1 1 10 5368 1 1 33 ALA H H -9.748 2.941 3.862 1.00 . A A . 32 ALA H 1 1 10 5369 1 1 33 ALA HA H -11.486 2.962 6.072 1.00 . A A . 32 ALA HA 1 1 10 5370 1 1 33 ALA HB1 H -9.755 4.660 5.660 1.00 . A A . 32 ALA HB1 1 1 10 5371 1 1 33 ALA HB2 H -11.344 5.373 5.943 1.00 . A A . 32 ALA HB2 1 1 10 5372 1 1 33 ALA HB3 H -10.704 5.267 4.302 1.00 . A A . 32 ALA HB3 1 1 10 5373 1 1 33 ALA N N -10.550 2.557 4.279 1.00 . A A . 32 ALA N 1 1 10 5374 1 1 33 ALA O O -13.790 3.528 5.183 1.00 . A A . 32 ALA O 1 1 10 5375 1 1 34 ASP C C -14.853 2.588 2.409 1.00 . A A . 33 ASP C 1 1 10 5376 1 1 34 ASP CA C -14.055 3.886 2.436 1.00 . A A . 33 ASP CA 1 1 10 5377 1 1 34 ASP CB C -13.772 4.349 1.004 1.00 . A A . 33 ASP CB 1 1 10 5378 1 1 34 ASP CG C -15.042 4.576 0.208 1.00 . A A . 33 ASP CG 1 1 10 5379 1 1 34 ASP H H -11.955 3.728 2.673 1.00 . A A . 33 ASP H 1 1 10 5380 1 1 34 ASP HA H -14.633 4.642 2.942 1.00 . A A . 33 ASP HA 1 1 10 5381 1 1 34 ASP HB2 H -13.216 5.273 1.035 1.00 . A A . 33 ASP HB2 1 1 10 5382 1 1 34 ASP HB3 H -13.181 3.596 0.500 1.00 . A A . 33 ASP HB3 1 1 10 5383 1 1 34 ASP N N -12.804 3.715 3.167 1.00 . A A . 33 ASP N 1 1 10 5384 1 1 34 ASP O O -16.084 2.598 2.409 1.00 . A A . 33 ASP O 1 1 10 5385 1 1 34 ASP OD1 O -15.419 3.682 -0.579 1.00 . A A . 33 ASP OD1 1 1 10 5386 1 1 34 ASP OD2 O -15.674 5.646 0.371 1.00 . A A . 33 ASP OD2 1 1 10 5387 1 1 35 TYR C C -15.322 -0.225 3.711 1.00 . A A . 34 TYR C 1 1 10 5388 1 1 35 TYR CA C -14.766 0.160 2.341 1.00 . A A . 34 TYR CA 1 1 10 5389 1 1 35 TYR CB C -13.751 -0.882 1.861 1.00 . A A . 34 TYR CB 1 1 10 5390 1 1 35 TYR CD1 C -15.163 -2.602 0.683 1.00 . A A . 34 TYR CD1 1 1 10 5391 1 1 35 TYR CD2 C -14.002 -3.259 2.652 1.00 . A A . 34 TYR CD2 1 1 10 5392 1 1 35 TYR CE1 C -15.677 -3.874 0.557 1.00 . A A . 34 TYR CE1 1 1 10 5393 1 1 35 TYR CE2 C -14.512 -4.534 2.535 1.00 . A A . 34 TYR CE2 1 1 10 5394 1 1 35 TYR CG C -14.318 -2.274 1.731 1.00 . A A . 34 TYR CG 1 1 10 5395 1 1 35 TYR CZ C -15.368 -4.831 1.498 1.00 . A A . 34 TYR CZ 1 1 10 5396 1 1 35 TYR H H -13.161 1.533 2.408 1.00 . A A . 34 TYR H 1 1 10 5397 1 1 35 TYR HA H -15.581 0.206 1.634 1.00 . A A . 34 TYR HA 1 1 10 5398 1 1 35 TYR HB2 H -13.376 -0.587 0.892 1.00 . A A . 34 TYR HB2 1 1 10 5399 1 1 35 TYR HB3 H -12.931 -0.920 2.561 1.00 . A A . 34 TYR HB3 1 1 10 5400 1 1 35 TYR HD1 H -15.420 -1.846 -0.042 1.00 . A A . 34 TYR HD1 1 1 10 5401 1 1 35 TYR HD2 H -13.346 -3.017 3.474 1.00 . A A . 34 TYR HD2 1 1 10 5402 1 1 35 TYR HE1 H -16.332 -4.108 -0.263 1.00 . A A . 34 TYR HE1 1 1 10 5403 1 1 35 TYR HE2 H -14.257 -5.285 3.266 1.00 . A A . 34 TYR HE2 1 1 10 5404 1 1 35 TYR HH H -15.727 -6.414 0.446 1.00 . A A . 34 TYR HH 1 1 10 5405 1 1 35 TYR N N -14.140 1.472 2.388 1.00 . A A . 34 TYR N 1 1 10 5406 1 1 35 TYR O O -14.607 -0.750 4.568 1.00 . A A . 34 TYR O 1 1 10 5407 1 1 35 TYR OH O -15.859 -6.109 1.356 1.00 . A A . 34 TYR OH 1 1 10 5408 1 1 36 NH2 HN1 H -17.104 0.471 3.193 1.00 . A A . 35 NH2 HN1 1 1 10 5409 1 1 36 NH2 HN2 H -16.989 -0.181 4.786 1.00 . A A . 35 NH2 HN2 1 1 10 5410 1 1 36 NH2 N N -16.600 0.047 3.917 1.00 . A A . 35 NH2 N 1 1 11 5411 1 1 1 ACE C C -13.340 -5.076 -4.648 1.00 . A A . 0 ACE C 1 1 11 5412 1 1 1 ACE CH3 C -14.038 -3.747 -4.732 1.00 . A A . 0 ACE CH3 1 1 11 5413 1 1 1 ACE H1 H -14.507 -3.664 -5.706 1.00 . A A . 0 ACE H1 1 1 11 5414 1 1 1 ACE H2 H -13.320 -2.958 -4.611 1.00 . A A . 0 ACE H2 1 1 11 5415 1 1 1 ACE H3 H -14.773 -3.692 -3.938 1.00 . A A . 0 ACE H3 1 1 11 5416 1 1 1 ACE O O -12.891 -5.615 -5.658 1.00 . A A . 0 ACE O 1 1 11 5417 1 1 2 PRO C C -11.041 -4.689 -2.757 1.00 . A A . 1 PRO C 1 1 11 5418 1 1 2 PRO CA C -12.472 -5.024 -2.340 1.00 . A A . 1 PRO CA 1 1 11 5419 1 1 2 PRO CB C -12.469 -6.107 -1.248 1.00 . A A . 1 PRO CB 1 1 11 5420 1 1 2 PRO CD C -13.829 -6.915 -3.042 1.00 . A A . 1 PRO CD 1 1 11 5421 1 1 2 PRO CG C -12.953 -7.356 -1.903 1.00 . A A . 1 PRO CG 1 1 11 5422 1 1 2 PRO HA H -12.960 -4.133 -1.971 1.00 . A A . 1 PRO HA 1 1 11 5423 1 1 2 PRO HB2 H -11.465 -6.237 -0.865 1.00 . A A . 1 PRO HB2 1 1 11 5424 1 1 2 PRO HB3 H -13.137 -5.829 -0.449 1.00 . A A . 1 PRO HB3 1 1 11 5425 1 1 2 PRO HD2 H -13.791 -7.627 -3.856 1.00 . A A . 1 PRO HD2 1 1 11 5426 1 1 2 PRO HD3 H -14.847 -6.773 -2.709 1.00 . A A . 1 PRO HD3 1 1 11 5427 1 1 2 PRO HG2 H -12.109 -7.926 -2.270 1.00 . A A . 1 PRO HG2 1 1 11 5428 1 1 2 PRO HG3 H -13.526 -7.941 -1.201 1.00 . A A . 1 PRO HG3 1 1 11 5429 1 1 2 PRO N N -13.228 -5.636 -3.437 1.00 . A A . 1 PRO N 1 1 11 5430 1 1 2 PRO O O -10.419 -5.441 -3.512 1.00 . A A . 1 PRO O 1 1 11 5431 1 1 3 PRO C C -8.097 -4.119 -2.099 1.00 . A A . 2 PRO C 1 1 11 5432 1 1 3 PRO CA C -9.139 -3.134 -2.621 1.00 . A A . 2 PRO CA 1 1 11 5433 1 1 3 PRO CB C -8.989 -1.778 -1.927 1.00 . A A . 2 PRO CB 1 1 11 5434 1 1 3 PRO CD C -11.167 -2.587 -1.388 1.00 . A A . 2 PRO CD 1 1 11 5435 1 1 3 PRO CG C -10.019 -1.774 -0.853 1.00 . A A . 2 PRO CG 1 1 11 5436 1 1 3 PRO HA H -9.018 -3.014 -3.686 1.00 . A A . 2 PRO HA 1 1 11 5437 1 1 3 PRO HB2 H -7.992 -1.688 -1.509 1.00 . A A . 2 PRO HB2 1 1 11 5438 1 1 3 PRO HB3 H -9.178 -0.979 -2.626 1.00 . A A . 2 PRO HB3 1 1 11 5439 1 1 3 PRO HD2 H -11.681 -3.094 -0.583 1.00 . A A . 2 PRO HD2 1 1 11 5440 1 1 3 PRO HD3 H -11.853 -1.960 -1.939 1.00 . A A . 2 PRO HD3 1 1 11 5441 1 1 3 PRO HG2 H -9.613 -2.231 0.040 1.00 . A A . 2 PRO HG2 1 1 11 5442 1 1 3 PRO HG3 H -10.340 -0.763 -0.651 1.00 . A A . 2 PRO HG3 1 1 11 5443 1 1 3 PRO N N -10.502 -3.552 -2.285 1.00 . A A . 2 PRO N 1 1 11 5444 1 1 3 PRO O O -8.083 -4.453 -0.913 1.00 . A A . 2 PRO O 1 1 11 5445 1 1 4 THR C C -5.031 -4.834 -1.965 1.00 . A A . 3 THR C 1 1 11 5446 1 1 4 THR CA C -6.207 -5.541 -2.630 1.00 . A A . 3 THR CA 1 1 11 5447 1 1 4 THR CB C -5.727 -6.289 -3.888 1.00 . A A . 3 THR CB 1 1 11 5448 1 1 4 THR CG2 C -4.782 -7.426 -3.530 1.00 . A A . 3 THR CG2 1 1 11 5449 1 1 4 THR H H -7.306 -4.291 -3.916 1.00 . A A . 3 THR H 1 1 11 5450 1 1 4 THR HA H -6.623 -6.260 -1.941 1.00 . A A . 3 THR HA 1 1 11 5451 1 1 4 THR HB H -5.204 -5.591 -4.523 1.00 . A A . 3 THR HB 1 1 11 5452 1 1 4 THR HG1 H -7.445 -7.254 -3.966 1.00 . A A . 3 THR HG1 1 1 11 5453 1 1 4 THR HG21 H -3.913 -7.025 -3.032 1.00 . A A . 3 THR HG21 1 1 11 5454 1 1 4 THR HG22 H -4.478 -7.936 -4.432 1.00 . A A . 3 THR HG22 1 1 11 5455 1 1 4 THR HG23 H -5.287 -8.120 -2.875 1.00 . A A . 3 THR HG23 1 1 11 5456 1 1 4 THR N N -7.242 -4.591 -2.987 1.00 . A A . 3 THR N 1 1 11 5457 1 1 4 THR O O -4.687 -3.707 -2.332 1.00 . A A . 3 THR O 1 1 11 5458 1 1 4 THR OG1 O -6.858 -6.814 -4.592 1.00 . A A . 3 THR OG1 1 1 11 5459 1 1 5 LYS C C -2.112 -4.862 -1.319 1.00 . A A . 4 LYS C 1 1 11 5460 1 1 5 LYS CA C -3.254 -4.952 -0.310 1.00 . A A . 4 LYS CA 1 1 11 5461 1 1 5 LYS CB C -2.849 -5.835 0.874 1.00 . A A . 4 LYS CB 1 1 11 5462 1 1 5 LYS CD C -3.424 -6.721 3.153 1.00 . A A . 4 LYS CD 1 1 11 5463 1 1 5 LYS CE C -4.466 -6.764 4.261 1.00 . A A . 4 LYS CE 1 1 11 5464 1 1 5 LYS CG C -3.902 -5.905 1.966 1.00 . A A . 4 LYS CG 1 1 11 5465 1 1 5 LYS H H -4.802 -6.347 -0.673 1.00 . A A . 4 LYS H 1 1 11 5466 1 1 5 LYS HA H -3.491 -3.960 0.046 1.00 . A A . 4 LYS HA 1 1 11 5467 1 1 5 LYS HB2 H -2.670 -6.837 0.514 1.00 . A A . 4 LYS HB2 1 1 11 5468 1 1 5 LYS HB3 H -1.938 -5.443 1.306 1.00 . A A . 4 LYS HB3 1 1 11 5469 1 1 5 LYS HD2 H -3.219 -7.729 2.825 1.00 . A A . 4 LYS HD2 1 1 11 5470 1 1 5 LYS HD3 H -2.519 -6.275 3.538 1.00 . A A . 4 LYS HD3 1 1 11 5471 1 1 5 LYS HE2 H -5.360 -7.230 3.876 1.00 . A A . 4 LYS HE2 1 1 11 5472 1 1 5 LYS HE3 H -4.078 -7.355 5.077 1.00 . A A . 4 LYS HE3 1 1 11 5473 1 1 5 LYS HG2 H -4.126 -4.904 2.302 1.00 . A A . 4 LYS HG2 1 1 11 5474 1 1 5 LYS HG3 H -4.795 -6.360 1.564 1.00 . A A . 4 LYS HG3 1 1 11 5475 1 1 5 LYS HZ1 H -5.317 -4.867 4.033 1.00 . A A . 4 LYS HZ1 1 1 11 5476 1 1 5 LYS HZ2 H -3.945 -4.890 5.025 1.00 . A A . 4 LYS HZ2 1 1 11 5477 1 1 5 LYS HZ3 H -5.417 -5.482 5.608 1.00 . A A . 4 LYS HZ3 1 1 11 5478 1 1 5 LYS N N -4.438 -5.484 -0.967 1.00 . A A . 4 LYS N 1 1 11 5479 1 1 5 LYS NZ N -4.810 -5.407 4.766 1.00 . A A . 4 LYS NZ 1 1 11 5480 1 1 5 LYS O O -2.055 -5.667 -2.253 1.00 . A A . 4 LYS O 1 1 11 5481 1 1 6 PRO C C 0.716 -4.867 -2.429 1.00 . A A . 5 PRO C 1 1 11 5482 1 1 6 PRO CA C -0.141 -3.638 -2.145 1.00 . A A . 5 PRO CA 1 1 11 5483 1 1 6 PRO CB C 0.704 -2.535 -1.504 1.00 . A A . 5 PRO CB 1 1 11 5484 1 1 6 PRO CD C -1.108 -2.966 -0.011 1.00 . A A . 5 PRO CD 1 1 11 5485 1 1 6 PRO CG C -0.193 -1.883 -0.514 1.00 . A A . 5 PRO CG 1 1 11 5486 1 1 6 PRO HA H -0.553 -3.276 -3.075 1.00 . A A . 5 PRO HA 1 1 11 5487 1 1 6 PRO HB2 H 1.567 -2.972 -1.019 1.00 . A A . 5 PRO HB2 1 1 11 5488 1 1 6 PRO HB3 H 1.012 -1.821 -2.253 1.00 . A A . 5 PRO HB3 1 1 11 5489 1 1 6 PRO HD2 H -0.672 -3.461 0.847 1.00 . A A . 5 PRO HD2 1 1 11 5490 1 1 6 PRO HD3 H -2.079 -2.559 0.236 1.00 . A A . 5 PRO HD3 1 1 11 5491 1 1 6 PRO HG2 H 0.397 -1.472 0.298 1.00 . A A . 5 PRO HG2 1 1 11 5492 1 1 6 PRO HG3 H -0.771 -1.106 -0.996 1.00 . A A . 5 PRO HG3 1 1 11 5493 1 1 6 PRO N N -1.199 -3.889 -1.161 1.00 . A A . 5 PRO N 1 1 11 5494 1 1 6 PRO O O 1.167 -5.561 -1.515 1.00 . A A . 5 PRO O 1 1 11 5495 1 1 7 THR C C 3.230 -5.826 -4.082 1.00 . A A . 6 THR C 1 1 11 5496 1 1 7 THR CA C 1.759 -6.234 -4.152 1.00 . A A . 6 THR CA 1 1 11 5497 1 1 7 THR CB C 1.398 -6.635 -5.594 1.00 . A A . 6 THR CB 1 1 11 5498 1 1 7 THR CG2 C 2.044 -7.956 -5.974 1.00 . A A . 6 THR CG2 1 1 11 5499 1 1 7 THR H H 0.484 -4.570 -4.386 1.00 . A A . 6 THR H 1 1 11 5500 1 1 7 THR HA H 1.588 -7.077 -3.503 1.00 . A A . 6 THR HA 1 1 11 5501 1 1 7 THR HB H 1.756 -5.868 -6.263 1.00 . A A . 6 THR HB 1 1 11 5502 1 1 7 THR HG1 H -0.452 -6.347 -4.957 1.00 . A A . 6 THR HG1 1 1 11 5503 1 1 7 THR HG21 H 1.728 -8.721 -5.280 1.00 . A A . 6 THR HG21 1 1 11 5504 1 1 7 THR HG22 H 3.118 -7.854 -5.934 1.00 . A A . 6 THR HG22 1 1 11 5505 1 1 7 THR HG23 H 1.744 -8.230 -6.974 1.00 . A A . 6 THR HG23 1 1 11 5506 1 1 7 THR N N 0.918 -5.134 -3.711 1.00 . A A . 6 THR N 1 1 11 5507 1 1 7 THR O O 4.134 -6.662 -4.133 1.00 . A A . 6 THR O 1 1 11 5508 1 1 7 THR OG1 O -0.026 -6.747 -5.725 1.00 . A A . 6 THR OG1 1 1 11 5509 1 1 8 LYS C C 5.531 -4.510 -2.646 1.00 . A A . 7 LYS C 1 1 11 5510 1 1 8 LYS CA C 4.784 -3.960 -3.860 1.00 . A A . 7 LYS CA 1 1 11 5511 1 1 8 LYS CB C 4.692 -2.436 -3.778 1.00 . A A . 7 LYS CB 1 1 11 5512 1 1 8 LYS CD C 3.865 -0.296 -4.801 1.00 . A A . 7 LYS CD 1 1 11 5513 1 1 8 LYS CE C 3.138 0.342 -5.976 1.00 . A A . 7 LYS CE 1 1 11 5514 1 1 8 LYS CG C 4.016 -1.800 -4.982 1.00 . A A . 7 LYS CG 1 1 11 5515 1 1 8 LYS H H 2.677 -3.924 -3.912 1.00 . A A . 7 LYS H 1 1 11 5516 1 1 8 LYS HA H 5.320 -4.234 -4.752 1.00 . A A . 7 LYS HA 1 1 11 5517 1 1 8 LYS HB2 H 4.130 -2.168 -2.896 1.00 . A A . 7 LYS HB2 1 1 11 5518 1 1 8 LYS HB3 H 5.688 -2.030 -3.695 1.00 . A A . 7 LYS HB3 1 1 11 5519 1 1 8 LYS HD2 H 3.302 -0.107 -3.900 1.00 . A A . 7 LYS HD2 1 1 11 5520 1 1 8 LYS HD3 H 4.846 0.146 -4.713 1.00 . A A . 7 LYS HD3 1 1 11 5521 1 1 8 LYS HE2 H 3.087 1.409 -5.813 1.00 . A A . 7 LYS HE2 1 1 11 5522 1 1 8 LYS HE3 H 3.695 0.144 -6.880 1.00 . A A . 7 LYS HE3 1 1 11 5523 1 1 8 LYS HG2 H 4.614 -1.991 -5.863 1.00 . A A . 7 LYS HG2 1 1 11 5524 1 1 8 LYS HG3 H 3.035 -2.240 -5.108 1.00 . A A . 7 LYS HG3 1 1 11 5525 1 1 8 LYS HZ1 H 1.785 -1.204 -6.349 1.00 . A A . 7 LYS HZ1 1 1 11 5526 1 1 8 LYS HZ2 H 1.268 0.309 -6.900 1.00 . A A . 7 LYS HZ2 1 1 11 5527 1 1 8 LYS HZ3 H 1.220 -0.048 -5.244 1.00 . A A . 7 LYS HZ3 1 1 11 5528 1 1 8 LYS N N 3.447 -4.526 -3.950 1.00 . A A . 7 LYS N 1 1 11 5529 1 1 8 LYS NZ N 1.758 -0.188 -6.130 1.00 . A A . 7 LYS NZ 1 1 11 5530 1 1 8 LYS O O 4.914 -4.888 -1.644 1.00 . A A . 7 LYS O 1 1 11 5531 1 1 9 PRO C C 7.714 -4.119 -0.451 1.00 . A A . 8 PRO C 1 1 11 5532 1 1 9 PRO CA C 7.697 -5.077 -1.634 1.00 . A A . 8 PRO CA 1 1 11 5533 1 1 9 PRO CB C 9.090 -5.187 -2.254 1.00 . A A . 8 PRO CB 1 1 11 5534 1 1 9 PRO CD C 7.668 -4.211 -3.911 1.00 . A A . 8 PRO CD 1 1 11 5535 1 1 9 PRO CG C 9.083 -4.234 -3.395 1.00 . A A . 8 PRO CG 1 1 11 5536 1 1 9 PRO HA H 7.372 -6.049 -1.299 1.00 . A A . 8 PRO HA 1 1 11 5537 1 1 9 PRO HB2 H 9.840 -4.913 -1.522 1.00 . A A . 8 PRO HB2 1 1 11 5538 1 1 9 PRO HB3 H 9.260 -6.189 -2.608 1.00 . A A . 8 PRO HB3 1 1 11 5539 1 1 9 PRO HD2 H 7.403 -3.218 -4.252 1.00 . A A . 8 PRO HD2 1 1 11 5540 1 1 9 PRO HD3 H 7.541 -4.932 -4.706 1.00 . A A . 8 PRO HD3 1 1 11 5541 1 1 9 PRO HG2 H 9.378 -3.253 -3.048 1.00 . A A . 8 PRO HG2 1 1 11 5542 1 1 9 PRO HG3 H 9.753 -4.578 -4.167 1.00 . A A . 8 PRO HG3 1 1 11 5543 1 1 9 PRO N N 6.866 -4.587 -2.732 1.00 . A A . 8 PRO N 1 1 11 5544 1 1 9 PRO O O 7.945 -2.919 -0.607 1.00 . A A . 8 PRO O 1 1 11 5545 1 1 10 GLY C C 8.164 -4.559 3.072 1.00 . A A . 9 GLY C 1 1 11 5546 1 1 10 GLY CA C 7.471 -3.857 1.928 1.00 . A A . 9 GLY CA 1 1 11 5547 1 1 10 GLY H H 7.262 -5.617 0.779 1.00 . A A . 9 GLY H 1 1 11 5548 1 1 10 GLY HA2 H 7.982 -2.928 1.725 1.00 . A A . 9 GLY HA2 1 1 11 5549 1 1 10 GLY HA3 H 6.453 -3.644 2.214 1.00 . A A . 9 GLY HA3 1 1 11 5550 1 1 10 GLY N N 7.462 -4.659 0.726 1.00 . A A . 9 GLY N 1 1 11 5551 1 1 10 GLY O O 8.168 -4.072 4.201 1.00 . A A . 9 GLY O 1 1 11 5552 1 1 11 ASP C C 10.919 -6.636 3.495 1.00 . A A . 10 ASP C 1 1 11 5553 1 1 11 ASP CA C 9.432 -6.503 3.792 1.00 . A A . 10 ASP CA 1 1 11 5554 1 1 11 ASP CB C 8.794 -7.889 3.907 1.00 . A A . 10 ASP CB 1 1 11 5555 1 1 11 ASP CG C 7.392 -7.834 4.476 1.00 . A A . 10 ASP CG 1 1 11 5556 1 1 11 ASP H H 8.739 -6.024 1.849 1.00 . A A . 10 ASP H 1 1 11 5557 1 1 11 ASP HA H 9.317 -5.991 4.733 1.00 . A A . 10 ASP HA 1 1 11 5558 1 1 11 ASP HB2 H 8.746 -8.339 2.927 1.00 . A A . 10 ASP HB2 1 1 11 5559 1 1 11 ASP HB3 H 9.402 -8.506 4.553 1.00 . A A . 10 ASP HB3 1 1 11 5560 1 1 11 ASP N N 8.758 -5.705 2.775 1.00 . A A . 10 ASP N 1 1 11 5561 1 1 11 ASP O O 11.743 -6.659 4.406 1.00 . A A . 10 ASP O 1 1 11 5562 1 1 11 ASP OD1 O 7.254 -7.708 5.709 1.00 . A A . 10 ASP OD1 1 1 11 5563 1 1 11 ASP OD2 O 6.418 -7.906 3.694 1.00 . A A . 10 ASP OD2 1 1 11 5564 1 1 12 ASN C C 13.025 -5.634 0.914 1.00 . A A . 11 ASN C 1 1 11 5565 1 1 12 ASN CA C 12.666 -6.806 1.817 1.00 . A A . 11 ASN CA 1 1 11 5566 1 1 12 ASN CB C 12.966 -8.132 1.104 1.00 . A A . 11 ASN CB 1 1 11 5567 1 1 12 ASN CG C 12.105 -8.366 -0.126 1.00 . A A . 11 ASN CG 1 1 11 5568 1 1 12 ASN H H 10.563 -6.763 1.536 1.00 . A A . 11 ASN H 1 1 11 5569 1 1 12 ASN HA H 13.265 -6.747 2.712 1.00 . A A . 11 ASN HA 1 1 11 5570 1 1 12 ASN HB2 H 14.000 -8.138 0.795 1.00 . A A . 11 ASN HB2 1 1 11 5571 1 1 12 ASN HB3 H 12.803 -8.944 1.793 1.00 . A A . 11 ASN HB3 1 1 11 5572 1 1 12 ASN HD21 H 10.865 -9.510 0.925 1.00 . A A . 11 ASN HD21 1 1 11 5573 1 1 12 ASN HD22 H 10.469 -9.308 -0.748 1.00 . A A . 11 ASN HD22 1 1 11 5574 1 1 12 ASN N N 11.263 -6.732 2.221 1.00 . A A . 11 ASN N 1 1 11 5575 1 1 12 ASN ND2 N 11.040 -9.136 0.034 1.00 . A A . 11 ASN ND2 1 1 11 5576 1 1 12 ASN O O 13.914 -5.731 0.064 1.00 . A A . 11 ASN O 1 1 11 5577 1 1 12 ASN OD1 O 12.410 -7.880 -1.216 1.00 . A A . 11 ASN OD1 1 1 11 5578 1 1 13 ALA C C 13.448 -2.317 0.903 1.00 . A A . 12 ALA C 1 1 11 5579 1 1 13 ALA CA C 12.521 -3.350 0.278 1.00 . A A . 12 ALA CA 1 1 11 5580 1 1 13 ALA CB C 11.169 -2.731 -0.017 1.00 . A A . 12 ALA CB 1 1 11 5581 1 1 13 ALA H H 11.745 -4.462 1.894 1.00 . A A . 12 ALA H 1 1 11 5582 1 1 13 ALA HA H 12.949 -3.678 -0.655 1.00 . A A . 12 ALA HA 1 1 11 5583 1 1 13 ALA HB1 H 10.789 -2.254 0.875 1.00 . A A . 12 ALA HB1 1 1 11 5584 1 1 13 ALA HB2 H 10.483 -3.501 -0.332 1.00 . A A . 12 ALA HB2 1 1 11 5585 1 1 13 ALA HB3 H 11.273 -1.998 -0.801 1.00 . A A . 12 ALA HB3 1 1 11 5586 1 1 13 ALA N N 12.355 -4.514 1.130 1.00 . A A . 12 ALA N 1 1 11 5587 1 1 13 ALA O O 13.604 -2.258 2.126 1.00 . A A . 12 ALA O 1 1 11 5588 1 1 14 THR C C 14.088 0.676 1.141 1.00 . A A . 13 THR C 1 1 11 5589 1 1 14 THR CA C 14.913 -0.417 0.474 1.00 . A A . 13 THR CA 1 1 11 5590 1 1 14 THR CB C 15.664 0.180 -0.729 1.00 . A A . 13 THR CB 1 1 11 5591 1 1 14 THR CG2 C 16.715 -0.788 -1.234 1.00 . A A . 13 THR CG2 1 1 11 5592 1 1 14 THR H H 13.938 -1.667 -0.914 1.00 . A A . 13 THR H 1 1 11 5593 1 1 14 THR HA H 15.638 -0.795 1.178 1.00 . A A . 13 THR HA 1 1 11 5594 1 1 14 THR HB H 16.153 1.087 -0.414 1.00 . A A . 13 THR HB 1 1 11 5595 1 1 14 THR HG1 H 14.838 -0.154 -2.494 1.00 . A A . 13 THR HG1 1 1 11 5596 1 1 14 THR HG21 H 17.438 -0.971 -0.453 1.00 . A A . 13 THR HG21 1 1 11 5597 1 1 14 THR HG22 H 17.213 -0.364 -2.093 1.00 . A A . 13 THR HG22 1 1 11 5598 1 1 14 THR HG23 H 16.243 -1.718 -1.511 1.00 . A A . 13 THR HG23 1 1 11 5599 1 1 14 THR N N 14.061 -1.514 0.048 1.00 . A A . 13 THR N 1 1 11 5600 1 1 14 THR O O 12.885 0.776 0.905 1.00 . A A . 13 THR O 1 1 11 5601 1 1 14 THR OG1 O 14.738 0.489 -1.780 1.00 . A A . 13 THR OG1 1 1 11 5602 1 1 15 PRO C C 13.397 3.575 1.644 1.00 . A A . 14 PRO C 1 1 11 5603 1 1 15 PRO CA C 14.030 2.618 2.650 1.00 . A A . 14 PRO CA 1 1 11 5604 1 1 15 PRO CB C 15.140 3.314 3.449 1.00 . A A . 14 PRO CB 1 1 11 5605 1 1 15 PRO CD C 16.136 1.439 2.365 1.00 . A A . 14 PRO CD 1 1 11 5606 1 1 15 PRO CG C 16.418 2.827 2.872 1.00 . A A . 14 PRO CG 1 1 11 5607 1 1 15 PRO HA H 13.270 2.257 3.323 1.00 . A A . 14 PRO HA 1 1 11 5608 1 1 15 PRO HB2 H 15.055 4.386 3.338 1.00 . A A . 14 PRO HB2 1 1 11 5609 1 1 15 PRO HB3 H 15.081 3.039 4.488 1.00 . A A . 14 PRO HB3 1 1 11 5610 1 1 15 PRO HD2 H 16.756 1.213 1.511 1.00 . A A . 14 PRO HD2 1 1 11 5611 1 1 15 PRO HD3 H 16.286 0.708 3.144 1.00 . A A . 14 PRO HD3 1 1 11 5612 1 1 15 PRO HG2 H 16.721 3.482 2.060 1.00 . A A . 14 PRO HG2 1 1 11 5613 1 1 15 PRO HG3 H 17.178 2.792 3.640 1.00 . A A . 14 PRO HG3 1 1 11 5614 1 1 15 PRO N N 14.716 1.510 1.983 1.00 . A A . 14 PRO N 1 1 11 5615 1 1 15 PRO O O 12.362 4.186 1.919 1.00 . A A . 14 PRO O 1 1 11 5616 1 1 16 GLU C C 12.177 3.896 -1.115 1.00 . A A . 15 GLU C 1 1 11 5617 1 1 16 GLU CA C 13.475 4.509 -0.600 1.00 . A A . 15 GLU CA 1 1 11 5618 1 1 16 GLU CB C 14.480 4.633 -1.745 1.00 . A A . 15 GLU CB 1 1 11 5619 1 1 16 GLU CD C 14.895 5.454 -4.098 1.00 . A A . 15 GLU CD 1 1 11 5620 1 1 16 GLU CG C 13.963 5.467 -2.910 1.00 . A A . 15 GLU CG 1 1 11 5621 1 1 16 GLU H H 14.873 3.231 0.337 1.00 . A A . 15 GLU H 1 1 11 5622 1 1 16 GLU HA H 13.269 5.490 -0.204 1.00 . A A . 15 GLU HA 1 1 11 5623 1 1 16 GLU HB2 H 15.383 5.094 -1.368 1.00 . A A . 15 GLU HB2 1 1 11 5624 1 1 16 GLU HB3 H 14.718 3.646 -2.112 1.00 . A A . 15 GLU HB3 1 1 11 5625 1 1 16 GLU HG2 H 13.003 5.077 -3.221 1.00 . A A . 15 GLU HG2 1 1 11 5626 1 1 16 GLU HG3 H 13.842 6.486 -2.576 1.00 . A A . 15 GLU HG3 1 1 11 5627 1 1 16 GLU N N 14.023 3.701 0.477 1.00 . A A . 15 GLU N 1 1 11 5628 1 1 16 GLU O O 11.158 4.578 -1.250 1.00 . A A . 15 GLU O 1 1 11 5629 1 1 16 GLU OE1 O 14.790 4.534 -4.934 1.00 . A A . 15 GLU OE1 1 1 11 5630 1 1 16 GLU OE2 O 15.739 6.368 -4.208 1.00 . A A . 15 GLU OE2 1 1 11 5631 1 1 17 LYS C C 9.974 1.797 -0.847 1.00 . A A . 16 LYS C 1 1 11 5632 1 1 17 LYS CA C 11.070 1.875 -1.899 1.00 . A A . 16 LYS CA 1 1 11 5633 1 1 17 LYS CB C 11.486 0.469 -2.351 1.00 . A A . 16 LYS CB 1 1 11 5634 1 1 17 LYS CD C 9.660 0.231 -4.087 1.00 . A A . 16 LYS CD 1 1 11 5635 1 1 17 LYS CE C 10.597 0.309 -5.283 1.00 . A A . 16 LYS CE 1 1 11 5636 1 1 17 LYS CG C 10.336 -0.388 -2.869 1.00 . A A . 16 LYS CG 1 1 11 5637 1 1 17 LYS H H 13.056 2.105 -1.221 1.00 . A A . 16 LYS H 1 1 11 5638 1 1 17 LYS HA H 10.696 2.422 -2.750 1.00 . A A . 16 LYS HA 1 1 11 5639 1 1 17 LYS HB2 H 12.222 0.559 -3.138 1.00 . A A . 16 LYS HB2 1 1 11 5640 1 1 17 LYS HB3 H 11.937 -0.041 -1.512 1.00 . A A . 16 LYS HB3 1 1 11 5641 1 1 17 LYS HD2 H 8.806 -0.373 -4.355 1.00 . A A . 16 LYS HD2 1 1 11 5642 1 1 17 LYS HD3 H 9.330 1.228 -3.834 1.00 . A A . 16 LYS HD3 1 1 11 5643 1 1 17 LYS HE2 H 10.090 0.820 -6.086 1.00 . A A . 16 LYS HE2 1 1 11 5644 1 1 17 LYS HE3 H 11.475 0.872 -5.000 1.00 . A A . 16 LYS HE3 1 1 11 5645 1 1 17 LYS HG2 H 10.723 -1.359 -3.143 1.00 . A A . 16 LYS HG2 1 1 11 5646 1 1 17 LYS HG3 H 9.605 -0.502 -2.082 1.00 . A A . 16 LYS HG3 1 1 11 5647 1 1 17 LYS HZ1 H 10.187 -1.588 -6.052 1.00 . A A . 16 LYS HZ1 1 1 11 5648 1 1 17 LYS HZ2 H 11.511 -1.549 -5.002 1.00 . A A . 16 LYS HZ2 1 1 11 5649 1 1 17 LYS HZ3 H 11.658 -0.940 -6.571 1.00 . A A . 16 LYS HZ3 1 1 11 5650 1 1 17 LYS N N 12.222 2.596 -1.382 1.00 . A A . 16 LYS N 1 1 11 5651 1 1 17 LYS NZ N 11.015 -1.035 -5.759 1.00 . A A . 16 LYS NZ 1 1 11 5652 1 1 17 LYS O O 8.791 1.887 -1.167 1.00 . A A . 16 LYS O 1 1 11 5653 1 1 18 LEU C C 8.648 2.917 1.600 1.00 . A A . 17 LEU C 1 1 11 5654 1 1 18 LEU CA C 9.428 1.614 1.512 1.00 . A A . 17 LEU CA 1 1 11 5655 1 1 18 LEU CB C 10.139 1.337 2.834 1.00 . A A . 17 LEU CB 1 1 11 5656 1 1 18 LEU CD1 C 11.356 -0.239 4.348 1.00 . A A . 17 LEU CD1 1 1 11 5657 1 1 18 LEU CD2 C 9.575 -1.099 2.827 1.00 . A A . 17 LEU CD2 1 1 11 5658 1 1 18 LEU CG C 10.687 -0.079 2.995 1.00 . A A . 17 LEU CG 1 1 11 5659 1 1 18 LEU H H 11.334 1.543 0.600 1.00 . A A . 17 LEU H 1 1 11 5660 1 1 18 LEU HA H 8.736 0.812 1.317 1.00 . A A . 17 LEU HA 1 1 11 5661 1 1 18 LEU HB2 H 10.963 2.026 2.922 1.00 . A A . 17 LEU HB2 1 1 11 5662 1 1 18 LEU HB3 H 9.447 1.525 3.639 1.00 . A A . 17 LEU HB3 1 1 11 5663 1 1 18 LEU HD11 H 10.619 -0.120 5.130 1.00 . A A . 17 LEU HD11 1 1 11 5664 1 1 18 LEU HD12 H 12.121 0.512 4.461 1.00 . A A . 17 LEU HD12 1 1 11 5665 1 1 18 LEU HD13 H 11.801 -1.219 4.418 1.00 . A A . 17 LEU HD13 1 1 11 5666 1 1 18 LEU HD21 H 8.780 -0.880 3.523 1.00 . A A . 17 LEU HD21 1 1 11 5667 1 1 18 LEU HD22 H 9.961 -2.088 3.023 1.00 . A A . 17 LEU HD22 1 1 11 5668 1 1 18 LEU HD23 H 9.195 -1.055 1.818 1.00 . A A . 17 LEU HD23 1 1 11 5669 1 1 18 LEU HG H 11.430 -0.261 2.230 1.00 . A A . 17 LEU HG 1 1 11 5670 1 1 18 LEU N N 10.374 1.649 0.410 1.00 . A A . 17 LEU N 1 1 11 5671 1 1 18 LEU O O 7.470 2.914 1.933 1.00 . A A . 17 LEU O 1 1 11 5672 1 1 19 ALA C C 7.562 5.365 0.205 1.00 . A A . 18 ALA C 1 1 11 5673 1 1 19 ALA CA C 8.644 5.322 1.276 1.00 . A A . 18 ALA CA 1 1 11 5674 1 1 19 ALA CB C 9.659 6.425 1.050 1.00 . A A . 18 ALA CB 1 1 11 5675 1 1 19 ALA H H 10.252 3.972 1.051 1.00 . A A . 18 ALA H 1 1 11 5676 1 1 19 ALA HA H 8.189 5.468 2.241 1.00 . A A . 18 ALA HA 1 1 11 5677 1 1 19 ALA HB1 H 10.408 6.388 1.827 1.00 . A A . 18 ALA HB1 1 1 11 5678 1 1 19 ALA HB2 H 9.161 7.383 1.075 1.00 . A A . 18 ALA HB2 1 1 11 5679 1 1 19 ALA HB3 H 10.129 6.286 0.089 1.00 . A A . 18 ALA HB3 1 1 11 5680 1 1 19 ALA N N 9.303 4.025 1.282 1.00 . A A . 18 ALA N 1 1 11 5681 1 1 19 ALA O O 6.453 5.853 0.438 1.00 . A A . 18 ALA O 1 1 11 5682 1 1 20 LYS C C 5.822 3.776 -1.701 1.00 . A A . 19 LYS C 1 1 11 5683 1 1 20 LYS CA C 6.939 4.751 -2.065 1.00 . A A . 19 LYS CA 1 1 11 5684 1 1 20 LYS CB C 7.664 4.281 -3.330 1.00 . A A . 19 LYS CB 1 1 11 5685 1 1 20 LYS CD C 6.668 5.890 -4.984 1.00 . A A . 19 LYS CD 1 1 11 5686 1 1 20 LYS CE C 6.084 6.040 -6.380 1.00 . A A . 19 LYS CE 1 1 11 5687 1 1 20 LYS CG C 6.859 4.428 -4.611 1.00 . A A . 19 LYS CG 1 1 11 5688 1 1 20 LYS H H 8.801 4.497 -1.095 1.00 . A A . 19 LYS H 1 1 11 5689 1 1 20 LYS HA H 6.518 5.730 -2.229 1.00 . A A . 19 LYS HA 1 1 11 5690 1 1 20 LYS HB2 H 8.572 4.854 -3.438 1.00 . A A . 19 LYS HB2 1 1 11 5691 1 1 20 LYS HB3 H 7.921 3.239 -3.212 1.00 . A A . 19 LYS HB3 1 1 11 5692 1 1 20 LYS HD2 H 5.995 6.346 -4.274 1.00 . A A . 19 LYS HD2 1 1 11 5693 1 1 20 LYS HD3 H 7.625 6.387 -4.948 1.00 . A A . 19 LYS HD3 1 1 11 5694 1 1 20 LYS HE2 H 6.046 7.088 -6.630 1.00 . A A . 19 LYS HE2 1 1 11 5695 1 1 20 LYS HE3 H 6.728 5.529 -7.081 1.00 . A A . 19 LYS HE3 1 1 11 5696 1 1 20 LYS HG2 H 7.381 3.928 -5.413 1.00 . A A . 19 LYS HG2 1 1 11 5697 1 1 20 LYS HG3 H 5.889 3.971 -4.471 1.00 . A A . 19 LYS HG3 1 1 11 5698 1 1 20 LYS HZ1 H 4.350 5.588 -7.448 1.00 . A A . 19 LYS HZ1 1 1 11 5699 1 1 20 LYS HZ2 H 4.076 5.958 -5.825 1.00 . A A . 19 LYS HZ2 1 1 11 5700 1 1 20 LYS HZ3 H 4.728 4.458 -6.249 1.00 . A A . 19 LYS HZ3 1 1 11 5701 1 1 20 LYS N N 7.889 4.838 -0.965 1.00 . A A . 19 LYS N 1 1 11 5702 1 1 20 LYS NZ N 4.716 5.471 -6.482 1.00 . A A . 19 LYS NZ 1 1 11 5703 1 1 20 LYS O O 4.651 3.989 -2.022 1.00 . A A . 19 LYS O 1 1 11 5704 1 1 21 TYR C C 4.313 2.306 0.482 1.00 . A A . 20 TYR C 1 1 11 5705 1 1 21 TYR CA C 5.286 1.705 -0.525 1.00 . A A . 20 TYR CA 1 1 11 5706 1 1 21 TYR CB C 6.072 0.557 0.114 1.00 . A A . 20 TYR CB 1 1 11 5707 1 1 21 TYR CD1 C 4.663 -1.517 -0.162 1.00 . A A . 20 TYR CD1 1 1 11 5708 1 1 21 TYR CD2 C 4.986 -0.667 2.042 1.00 . A A . 20 TYR CD2 1 1 11 5709 1 1 21 TYR CE1 C 3.896 -2.546 0.346 1.00 . A A . 20 TYR CE1 1 1 11 5710 1 1 21 TYR CE2 C 4.218 -1.693 2.556 1.00 . A A . 20 TYR CE2 1 1 11 5711 1 1 21 TYR CG C 5.221 -0.561 0.674 1.00 . A A . 20 TYR CG 1 1 11 5712 1 1 21 TYR CZ C 3.676 -2.629 1.704 1.00 . A A . 20 TYR CZ 1 1 11 5713 1 1 21 TYR H H 7.173 2.596 -0.829 1.00 . A A . 20 TYR H 1 1 11 5714 1 1 21 TYR HA H 4.729 1.326 -1.369 1.00 . A A . 20 TYR HA 1 1 11 5715 1 1 21 TYR HB2 H 6.729 0.128 -0.628 1.00 . A A . 20 TYR HB2 1 1 11 5716 1 1 21 TYR HB3 H 6.667 0.956 0.923 1.00 . A A . 20 TYR HB3 1 1 11 5717 1 1 21 TYR HD1 H 4.836 -1.450 -1.226 1.00 . A A . 20 TYR HD1 1 1 11 5718 1 1 21 TYR HD2 H 5.414 0.071 2.707 1.00 . A A . 20 TYR HD2 1 1 11 5719 1 1 21 TYR HE1 H 3.472 -3.281 -0.321 1.00 . A A . 20 TYR HE1 1 1 11 5720 1 1 21 TYR HE2 H 4.045 -1.758 3.621 1.00 . A A . 20 TYR HE2 1 1 11 5721 1 1 21 TYR HH H 2.375 -3.332 2.940 1.00 . A A . 20 TYR HH 1 1 11 5722 1 1 21 TYR N N 6.212 2.712 -1.012 1.00 . A A . 20 TYR N 1 1 11 5723 1 1 21 TYR O O 3.118 2.038 0.430 1.00 . A A . 20 TYR O 1 1 11 5724 1 1 21 TYR OH O 2.915 -3.659 2.210 1.00 . A A . 20 TYR OH 1 1 11 5725 1 1 22 GLN C C 2.974 4.689 1.771 1.00 . A A . 21 GLN C 1 1 11 5726 1 1 22 GLN CA C 4.007 3.768 2.405 1.00 . A A . 21 GLN CA 1 1 11 5727 1 1 22 GLN CB C 4.867 4.553 3.398 1.00 . A A . 21 GLN CB 1 1 11 5728 1 1 22 GLN CD C 4.961 2.646 5.065 1.00 . A A . 21 GLN CD 1 1 11 5729 1 1 22 GLN CG C 5.751 3.674 4.274 1.00 . A A . 21 GLN CG 1 1 11 5730 1 1 22 GLN H H 5.802 3.302 1.380 1.00 . A A . 21 GLN H 1 1 11 5731 1 1 22 GLN HA H 3.487 2.990 2.939 1.00 . A A . 21 GLN HA 1 1 11 5732 1 1 22 GLN HB2 H 5.503 5.230 2.847 1.00 . A A . 21 GLN HB2 1 1 11 5733 1 1 22 GLN HB3 H 4.219 5.127 4.041 1.00 . A A . 21 GLN HB3 1 1 11 5734 1 1 22 GLN HE21 H 6.512 1.402 5.058 1.00 . A A . 21 GLN HE21 1 1 11 5735 1 1 22 GLN HE22 H 5.092 0.834 5.866 1.00 . A A . 21 GLN HE22 1 1 11 5736 1 1 22 GLN HG2 H 6.455 3.153 3.640 1.00 . A A . 21 GLN HG2 1 1 11 5737 1 1 22 GLN HG3 H 6.290 4.305 4.965 1.00 . A A . 21 GLN HG3 1 1 11 5738 1 1 22 GLN N N 4.833 3.128 1.388 1.00 . A A . 21 GLN N 1 1 11 5739 1 1 22 GLN NE2 N 5.584 1.515 5.360 1.00 . A A . 21 GLN NE2 1 1 11 5740 1 1 22 GLN O O 1.845 4.784 2.245 1.00 . A A . 21 GLN O 1 1 11 5741 1 1 22 GLN OE1 O 3.803 2.872 5.422 1.00 . A A . 21 GLN OE1 1 1 11 5742 1 1 23 ALA C C 1.353 5.436 -0.705 1.00 . A A . 22 ALA C 1 1 11 5743 1 1 23 ALA CA C 2.456 6.237 -0.024 1.00 . A A . 22 ALA CA 1 1 11 5744 1 1 23 ALA CB C 3.225 7.058 -1.046 1.00 . A A . 22 ALA CB 1 1 11 5745 1 1 23 ALA H H 4.284 5.253 0.372 1.00 . A A . 22 ALA H 1 1 11 5746 1 1 23 ALA HA H 2.012 6.912 0.691 1.00 . A A . 22 ALA HA 1 1 11 5747 1 1 23 ALA HB1 H 2.533 7.641 -1.635 1.00 . A A . 22 ALA HB1 1 1 11 5748 1 1 23 ALA HB2 H 3.783 6.396 -1.692 1.00 . A A . 22 ALA HB2 1 1 11 5749 1 1 23 ALA HB3 H 3.906 7.719 -0.534 1.00 . A A . 22 ALA HB3 1 1 11 5750 1 1 23 ALA N N 3.363 5.354 0.693 1.00 . A A . 22 ALA N 1 1 11 5751 1 1 23 ALA O O 0.191 5.840 -0.721 1.00 . A A . 22 ALA O 1 1 11 5752 1 1 24 ASP C C -0.109 2.701 -0.943 1.00 . A A . 23 ASP C 1 1 11 5753 1 1 24 ASP CA C 0.775 3.432 -1.945 1.00 . A A . 23 ASP CA 1 1 11 5754 1 1 24 ASP CB C 1.523 2.438 -2.839 1.00 . A A . 23 ASP CB 1 1 11 5755 1 1 24 ASP CG C 0.612 1.726 -3.814 1.00 . A A . 23 ASP CG 1 1 11 5756 1 1 24 ASP H H 2.659 3.999 -1.160 1.00 . A A . 23 ASP H 1 1 11 5757 1 1 24 ASP HA H 0.150 4.064 -2.559 1.00 . A A . 23 ASP HA 1 1 11 5758 1 1 24 ASP HB2 H 2.274 2.970 -3.408 1.00 . A A . 23 ASP HB2 1 1 11 5759 1 1 24 ASP HB3 H 2.007 1.697 -2.216 1.00 . A A . 23 ASP HB3 1 1 11 5760 1 1 24 ASP N N 1.723 4.285 -1.244 1.00 . A A . 23 ASP N 1 1 11 5761 1 1 24 ASP O O -1.295 2.463 -1.186 1.00 . A A . 23 ASP O 1 1 11 5762 1 1 24 ASP OD1 O 0.569 0.480 -3.793 1.00 . A A . 23 ASP OD1 1 1 11 5763 1 1 24 ASP OD2 O -0.041 2.410 -4.628 1.00 . A A . 23 ASP OD2 1 1 11 5764 1 1 25 LEU C C -1.234 2.786 1.866 1.00 . A A . 24 LEU C 1 1 11 5765 1 1 25 LEU CA C -0.249 1.771 1.304 1.00 . A A . 24 LEU CA 1 1 11 5766 1 1 25 LEU CB C 0.718 1.313 2.402 1.00 . A A . 24 LEU CB 1 1 11 5767 1 1 25 LEU CD1 C -0.655 -0.571 3.322 1.00 . A A . 24 LEU CD1 1 1 11 5768 1 1 25 LEU CD2 C 1.094 0.514 4.744 1.00 . A A . 24 LEU CD2 1 1 11 5769 1 1 25 LEU CG C 0.059 0.728 3.650 1.00 . A A . 24 LEU CG 1 1 11 5770 1 1 25 LEU H H 1.455 2.487 0.280 1.00 . A A . 24 LEU H 1 1 11 5771 1 1 25 LEU HA H -0.799 0.918 0.934 1.00 . A A . 24 LEU HA 1 1 11 5772 1 1 25 LEU HB2 H 1.378 0.563 1.984 1.00 . A A . 24 LEU HB2 1 1 11 5773 1 1 25 LEU HB3 H 1.312 2.161 2.702 1.00 . A A . 24 LEU HB3 1 1 11 5774 1 1 25 LEU HD11 H -1.205 -0.906 4.187 1.00 . A A . 24 LEU HD11 1 1 11 5775 1 1 25 LEU HD12 H 0.071 -1.319 3.044 1.00 . A A . 24 LEU HD12 1 1 11 5776 1 1 25 LEU HD13 H -1.336 -0.408 2.500 1.00 . A A . 24 LEU HD13 1 1 11 5777 1 1 25 LEU HD21 H 1.827 -0.204 4.410 1.00 . A A . 24 LEU HD21 1 1 11 5778 1 1 25 LEU HD22 H 0.606 0.144 5.633 1.00 . A A . 24 LEU HD22 1 1 11 5779 1 1 25 LEU HD23 H 1.583 1.452 4.964 1.00 . A A . 24 LEU HD23 1 1 11 5780 1 1 25 LEU HG H -0.677 1.427 4.018 1.00 . A A . 24 LEU HG 1 1 11 5781 1 1 25 LEU N N 0.484 2.352 0.191 1.00 . A A . 24 LEU N 1 1 11 5782 1 1 25 LEU O O -2.341 2.434 2.267 1.00 . A A . 24 LEU O 1 1 11 5783 1 1 26 ALA C C -2.934 5.232 1.511 1.00 . A A . 25 ALA C 1 1 11 5784 1 1 26 ALA CA C -1.674 5.129 2.358 1.00 . A A . 25 ALA CA 1 1 11 5785 1 1 26 ALA CB C -0.913 6.442 2.344 1.00 . A A . 25 ALA CB 1 1 11 5786 1 1 26 ALA H H 0.090 4.260 1.585 1.00 . A A . 25 ALA H 1 1 11 5787 1 1 26 ALA HA H -1.952 4.912 3.378 1.00 . A A . 25 ALA HA 1 1 11 5788 1 1 26 ALA HB1 H -1.522 7.216 2.785 1.00 . A A . 25 ALA HB1 1 1 11 5789 1 1 26 ALA HB2 H -0.675 6.706 1.324 1.00 . A A . 25 ALA HB2 1 1 11 5790 1 1 26 ALA HB3 H 0.000 6.334 2.909 1.00 . A A . 25 ALA HB3 1 1 11 5791 1 1 26 ALA N N -0.823 4.050 1.886 1.00 . A A . 25 ALA N 1 1 11 5792 1 1 26 ALA O O -4.033 5.416 2.039 1.00 . A A . 25 ALA O 1 1 11 5793 1 1 27 LYS C C -4.807 3.895 -0.399 1.00 . A A . 26 LYS C 1 1 11 5794 1 1 27 LYS CA C -3.914 5.087 -0.707 1.00 . A A . 26 LYS CA 1 1 11 5795 1 1 27 LYS CB C -3.473 5.031 -2.171 1.00 . A A . 26 LYS CB 1 1 11 5796 1 1 27 LYS CD C -4.192 5.055 -4.587 1.00 . A A . 26 LYS CD 1 1 11 5797 1 1 27 LYS CE C -5.374 5.147 -5.543 1.00 . A A . 26 LYS CE 1 1 11 5798 1 1 27 LYS CG C -4.642 5.124 -3.141 1.00 . A A . 26 LYS CG 1 1 11 5799 1 1 27 LYS H H -1.865 5.032 -0.171 1.00 . A A . 26 LYS H 1 1 11 5800 1 1 27 LYS HA H -4.476 5.993 -0.542 1.00 . A A . 26 LYS HA 1 1 11 5801 1 1 27 LYS HB2 H -2.796 5.848 -2.367 1.00 . A A . 26 LYS HB2 1 1 11 5802 1 1 27 LYS HB3 H -2.958 4.098 -2.348 1.00 . A A . 26 LYS HB3 1 1 11 5803 1 1 27 LYS HD2 H -3.517 5.874 -4.784 1.00 . A A . 26 LYS HD2 1 1 11 5804 1 1 27 LYS HD3 H -3.681 4.118 -4.751 1.00 . A A . 26 LYS HD3 1 1 11 5805 1 1 27 LYS HE2 H -5.926 6.049 -5.326 1.00 . A A . 26 LYS HE2 1 1 11 5806 1 1 27 LYS HE3 H -4.998 5.191 -6.554 1.00 . A A . 26 LYS HE3 1 1 11 5807 1 1 27 LYS HG2 H -5.321 4.307 -2.949 1.00 . A A . 26 LYS HG2 1 1 11 5808 1 1 27 LYS HG3 H -5.154 6.062 -2.978 1.00 . A A . 26 LYS HG3 1 1 11 5809 1 1 27 LYS HZ1 H -7.122 4.112 -6.030 1.00 . A A . 26 LYS HZ1 1 1 11 5810 1 1 27 LYS HZ2 H -6.618 3.871 -4.430 1.00 . A A . 26 LYS HZ2 1 1 11 5811 1 1 27 LYS HZ3 H -5.803 3.107 -5.709 1.00 . A A . 26 LYS HZ3 1 1 11 5812 1 1 27 LYS N N -2.772 5.102 0.197 1.00 . A A . 26 LYS N 1 1 11 5813 1 1 27 LYS NZ N -6.291 3.979 -5.418 1.00 . A A . 26 LYS NZ 1 1 11 5814 1 1 27 LYS O O -6.029 4.013 -0.376 1.00 . A A . 26 LYS O 1 1 11 5815 1 1 28 TYR C C -5.710 1.744 1.483 1.00 . A A . 27 TYR C 1 1 11 5816 1 1 28 TYR CA C -4.918 1.541 0.200 1.00 . A A . 27 TYR CA 1 1 11 5817 1 1 28 TYR CB C -3.966 0.352 0.351 1.00 . A A . 27 TYR CB 1 1 11 5818 1 1 28 TYR CD1 C -5.456 -1.687 0.221 1.00 . A A . 27 TYR CD1 1 1 11 5819 1 1 28 TYR CD2 C -4.401 -1.197 2.301 1.00 . A A . 27 TYR CD2 1 1 11 5820 1 1 28 TYR CE1 C -6.058 -2.793 0.786 1.00 . A A . 27 TYR CE1 1 1 11 5821 1 1 28 TYR CE2 C -4.999 -2.303 2.871 1.00 . A A . 27 TYR CE2 1 1 11 5822 1 1 28 TYR CG C -4.618 -0.870 0.967 1.00 . A A . 27 TYR CG 1 1 11 5823 1 1 28 TYR CZ C -5.828 -3.095 2.109 1.00 . A A . 27 TYR CZ 1 1 11 5824 1 1 28 TYR H H -3.202 2.720 -0.186 1.00 . A A . 27 TYR H 1 1 11 5825 1 1 28 TYR HA H -5.610 1.337 -0.603 1.00 . A A . 27 TYR HA 1 1 11 5826 1 1 28 TYR HB2 H -3.587 0.074 -0.620 1.00 . A A . 27 TYR HB2 1 1 11 5827 1 1 28 TYR HB3 H -3.142 0.644 0.982 1.00 . A A . 27 TYR HB3 1 1 11 5828 1 1 28 TYR HD1 H -5.637 -1.449 -0.816 1.00 . A A . 27 TYR HD1 1 1 11 5829 1 1 28 TYR HD2 H -3.752 -0.573 2.897 1.00 . A A . 27 TYR HD2 1 1 11 5830 1 1 28 TYR HE1 H -6.704 -3.418 0.189 1.00 . A A . 27 TYR HE1 1 1 11 5831 1 1 28 TYR HE2 H -4.819 -2.540 3.909 1.00 . A A . 27 TYR HE2 1 1 11 5832 1 1 28 TYR HH H -6.539 -4.882 1.996 1.00 . A A . 27 TYR HH 1 1 11 5833 1 1 28 TYR N N -4.183 2.750 -0.145 1.00 . A A . 27 TYR N 1 1 11 5834 1 1 28 TYR O O -6.845 1.296 1.591 1.00 . A A . 27 TYR O 1 1 11 5835 1 1 28 TYR OH O -6.423 -4.203 2.672 1.00 . A A . 27 TYR OH 1 1 11 5836 1 1 29 GLN C C -7.009 3.580 3.453 1.00 . A A . 28 GLN C 1 1 11 5837 1 1 29 GLN CA C -5.779 2.719 3.708 1.00 . A A . 28 GLN CA 1 1 11 5838 1 1 29 GLN CB C -4.838 3.453 4.667 1.00 . A A . 28 GLN CB 1 1 11 5839 1 1 29 GLN CD C -2.720 3.419 6.036 1.00 . A A . 28 GLN CD 1 1 11 5840 1 1 29 GLN CG C -3.609 2.653 5.074 1.00 . A A . 28 GLN CG 1 1 11 5841 1 1 29 GLN H H -4.183 2.725 2.315 1.00 . A A . 28 GLN H 1 1 11 5842 1 1 29 GLN HA H -6.088 1.784 4.152 1.00 . A A . 28 GLN HA 1 1 11 5843 1 1 29 GLN HB2 H -4.506 4.367 4.194 1.00 . A A . 28 GLN HB2 1 1 11 5844 1 1 29 GLN HB3 H -5.389 3.707 5.561 1.00 . A A . 28 GLN HB3 1 1 11 5845 1 1 29 GLN HE21 H -1.110 2.506 5.324 1.00 . A A . 28 GLN HE21 1 1 11 5846 1 1 29 GLN HE22 H -0.823 3.650 6.583 1.00 . A A . 28 GLN HE22 1 1 11 5847 1 1 29 GLN HG2 H -3.927 1.737 5.552 1.00 . A A . 28 GLN HG2 1 1 11 5848 1 1 29 GLN HG3 H -3.036 2.416 4.188 1.00 . A A . 28 GLN HG3 1 1 11 5849 1 1 29 GLN N N -5.106 2.421 2.451 1.00 . A A . 28 GLN N 1 1 11 5850 1 1 29 GLN NE2 N -1.422 3.165 5.976 1.00 . A A . 28 GLN NE2 1 1 11 5851 1 1 29 GLN O O -8.071 3.372 4.047 1.00 . A A . 28 GLN O 1 1 11 5852 1 1 29 GLN OE1 O -3.200 4.240 6.821 1.00 . A A . 28 GLN OE1 1 1 11 5853 1 1 30 LYS C C -9.026 4.612 1.462 1.00 . A A . 29 LYS C 1 1 11 5854 1 1 30 LYS CA C -7.946 5.417 2.176 1.00 . A A . 29 LYS CA 1 1 11 5855 1 1 30 LYS CB C -7.439 6.548 1.278 1.00 . A A . 29 LYS CB 1 1 11 5856 1 1 30 LYS CD C -7.967 8.634 -0.016 1.00 . A A . 29 LYS CD 1 1 11 5857 1 1 30 LYS CE C -9.071 9.534 -0.543 1.00 . A A . 29 LYS CE 1 1 11 5858 1 1 30 LYS CG C -8.527 7.518 0.848 1.00 . A A . 29 LYS CG 1 1 11 5859 1 1 30 LYS H H -5.964 4.694 2.168 1.00 . A A . 29 LYS H 1 1 11 5860 1 1 30 LYS HA H -8.368 5.843 3.074 1.00 . A A . 29 LYS HA 1 1 11 5861 1 1 30 LYS HB2 H -6.682 7.103 1.812 1.00 . A A . 29 LYS HB2 1 1 11 5862 1 1 30 LYS HB3 H -6.999 6.118 0.389 1.00 . A A . 29 LYS HB3 1 1 11 5863 1 1 30 LYS HD2 H -7.286 9.227 0.575 1.00 . A A . 29 LYS HD2 1 1 11 5864 1 1 30 LYS HD3 H -7.439 8.198 -0.851 1.00 . A A . 29 LYS HD3 1 1 11 5865 1 1 30 LYS HE2 H -9.599 9.964 0.294 1.00 . A A . 29 LYS HE2 1 1 11 5866 1 1 30 LYS HE3 H -8.626 10.323 -1.131 1.00 . A A . 29 LYS HE3 1 1 11 5867 1 1 30 LYS HG2 H -9.273 6.979 0.284 1.00 . A A . 29 LYS HG2 1 1 11 5868 1 1 30 LYS HG3 H -8.980 7.949 1.729 1.00 . A A . 29 LYS HG3 1 1 11 5869 1 1 30 LYS HZ1 H -10.736 9.437 -1.795 1.00 . A A . 29 LYS HZ1 1 1 11 5870 1 1 30 LYS HZ2 H -10.532 8.070 -0.825 1.00 . A A . 29 LYS HZ2 1 1 11 5871 1 1 30 LYS HZ3 H -9.534 8.310 -2.167 1.00 . A A . 29 LYS HZ3 1 1 11 5872 1 1 30 LYS N N -6.850 4.553 2.569 1.00 . A A . 29 LYS N 1 1 11 5873 1 1 30 LYS NZ N -10.035 8.787 -1.390 1.00 . A A . 29 LYS NZ 1 1 11 5874 1 1 30 LYS O O -10.201 4.702 1.804 1.00 . A A . 29 LYS O 1 1 11 5875 1 1 31 ASP C C -10.227 1.950 0.604 1.00 . A A . 30 ASP C 1 1 11 5876 1 1 31 ASP CA C -9.536 2.976 -0.284 1.00 . A A . 30 ASP CA 1 1 11 5877 1 1 31 ASP CB C -8.814 2.261 -1.432 1.00 . A A . 30 ASP CB 1 1 11 5878 1 1 31 ASP CG C -8.544 3.172 -2.614 1.00 . A A . 30 ASP CG 1 1 11 5879 1 1 31 ASP H H -7.651 3.783 0.266 1.00 . A A . 30 ASP H 1 1 11 5880 1 1 31 ASP HA H -10.286 3.628 -0.702 1.00 . A A . 30 ASP HA 1 1 11 5881 1 1 31 ASP HB2 H -7.868 1.880 -1.073 1.00 . A A . 30 ASP HB2 1 1 11 5882 1 1 31 ASP HB3 H -9.426 1.436 -1.770 1.00 . A A . 30 ASP HB3 1 1 11 5883 1 1 31 ASP N N -8.610 3.811 0.483 1.00 . A A . 30 ASP N 1 1 11 5884 1 1 31 ASP O O -11.393 1.627 0.402 1.00 . A A . 30 ASP O 1 1 11 5885 1 1 31 ASP OD1 O -7.376 3.268 -3.049 1.00 . A A . 30 ASP OD1 1 1 11 5886 1 1 31 ASP OD2 O -9.504 3.792 -3.123 1.00 . A A . 30 ASP OD2 1 1 11 5887 1 1 32 LEU C C -11.168 1.109 3.344 1.00 . A A . 31 LEU C 1 1 11 5888 1 1 32 LEU CA C -10.045 0.474 2.533 1.00 . A A . 31 LEU CA 1 1 11 5889 1 1 32 LEU CB C -8.935 -0.030 3.464 1.00 . A A . 31 LEU CB 1 1 11 5890 1 1 32 LEU CD1 C -9.789 -2.389 3.637 1.00 . A A . 31 LEU CD1 1 1 11 5891 1 1 32 LEU CD2 C -8.139 -1.524 5.298 1.00 . A A . 31 LEU CD2 1 1 11 5892 1 1 32 LEU CG C -9.321 -1.168 4.412 1.00 . A A . 31 LEU CG 1 1 11 5893 1 1 32 LEU H H -8.554 1.699 1.658 1.00 . A A . 31 LEU H 1 1 11 5894 1 1 32 LEU HA H -10.448 -0.355 1.972 1.00 . A A . 31 LEU HA 1 1 11 5895 1 1 32 LEU HB2 H -8.109 -0.366 2.855 1.00 . A A . 31 LEU HB2 1 1 11 5896 1 1 32 LEU HB3 H -8.598 0.803 4.065 1.00 . A A . 31 LEU HB3 1 1 11 5897 1 1 32 LEU HD11 H -9.965 -3.203 4.324 1.00 . A A . 31 LEU HD11 1 1 11 5898 1 1 32 LEU HD12 H -9.032 -2.677 2.923 1.00 . A A . 31 LEU HD12 1 1 11 5899 1 1 32 LEU HD13 H -10.707 -2.156 3.118 1.00 . A A . 31 LEU HD13 1 1 11 5900 1 1 32 LEU HD21 H -7.300 -1.814 4.679 1.00 . A A . 31 LEU HD21 1 1 11 5901 1 1 32 LEU HD22 H -8.409 -2.342 5.948 1.00 . A A . 31 LEU HD22 1 1 11 5902 1 1 32 LEU HD23 H -7.865 -0.665 5.894 1.00 . A A . 31 LEU HD23 1 1 11 5903 1 1 32 LEU HG H -10.131 -0.842 5.048 1.00 . A A . 31 LEU HG 1 1 11 5904 1 1 32 LEU N N -9.498 1.436 1.582 1.00 . A A . 31 LEU N 1 1 11 5905 1 1 32 LEU O O -12.251 0.539 3.483 1.00 . A A . 31 LEU O 1 1 11 5906 1 1 33 ALA C C -13.032 3.482 3.681 1.00 . A A . 32 ALA C 1 1 11 5907 1 1 33 ALA CA C -11.901 3.055 4.607 1.00 . A A . 32 ALA CA 1 1 11 5908 1 1 33 ALA CB C -11.258 4.268 5.244 1.00 . A A . 32 ALA CB 1 1 11 5909 1 1 33 ALA H H -9.999 2.667 3.775 1.00 . A A . 32 ALA H 1 1 11 5910 1 1 33 ALA HA H -12.297 2.429 5.389 1.00 . A A . 32 ALA HA 1 1 11 5911 1 1 33 ALA HB1 H -10.860 4.907 4.468 1.00 . A A . 32 ALA HB1 1 1 11 5912 1 1 33 ALA HB2 H -10.457 3.952 5.895 1.00 . A A . 32 ALA HB2 1 1 11 5913 1 1 33 ALA HB3 H -11.997 4.809 5.813 1.00 . A A . 32 ALA HB3 1 1 11 5914 1 1 33 ALA N N -10.901 2.293 3.877 1.00 . A A . 32 ALA N 1 1 11 5915 1 1 33 ALA O O -14.196 3.548 4.077 1.00 . A A . 32 ALA O 1 1 11 5916 1 1 34 ASP C C -14.556 3.050 1.067 1.00 . A A . 33 ASP C 1 1 11 5917 1 1 34 ASP CA C -13.607 4.193 1.417 1.00 . A A . 33 ASP CA 1 1 11 5918 1 1 34 ASP CB C -12.841 4.654 0.171 1.00 . A A . 33 ASP CB 1 1 11 5919 1 1 34 ASP CG C -13.736 4.965 -1.007 1.00 . A A . 33 ASP CG 1 1 11 5920 1 1 34 ASP H H -11.704 3.753 2.224 1.00 . A A . 33 ASP H 1 1 11 5921 1 1 34 ASP HA H -14.180 5.019 1.805 1.00 . A A . 33 ASP HA 1 1 11 5922 1 1 34 ASP HB2 H -12.283 5.545 0.414 1.00 . A A . 33 ASP HB2 1 1 11 5923 1 1 34 ASP HB3 H -12.152 3.876 -0.123 1.00 . A A . 33 ASP HB3 1 1 11 5924 1 1 34 ASP N N -12.661 3.788 2.447 1.00 . A A . 33 ASP N 1 1 11 5925 1 1 34 ASP O O -15.754 3.258 0.871 1.00 . A A . 33 ASP O 1 1 11 5926 1 1 34 ASP OD1 O -13.920 4.080 -1.866 1.00 . A A . 33 ASP OD1 1 1 11 5927 1 1 34 ASP OD2 O -14.236 6.106 -1.097 1.00 . A A . 33 ASP OD2 1 1 11 5928 1 1 35 TYR C C -15.657 0.250 1.884 1.00 . A A . 34 TYR C 1 1 11 5929 1 1 35 TYR CA C -14.806 0.664 0.688 1.00 . A A . 34 TYR CA 1 1 11 5930 1 1 35 TYR CB C -13.890 -0.486 0.269 1.00 . A A . 34 TYR CB 1 1 11 5931 1 1 35 TYR CD1 C -15.287 -1.653 -1.467 1.00 . A A . 34 TYR CD1 1 1 11 5932 1 1 35 TYR CD2 C -14.686 -2.872 0.488 1.00 . A A . 34 TYR CD2 1 1 11 5933 1 1 35 TYR CE1 C -15.968 -2.749 -1.948 1.00 . A A . 34 TYR CE1 1 1 11 5934 1 1 35 TYR CE2 C -15.367 -3.975 0.013 1.00 . A A . 34 TYR CE2 1 1 11 5935 1 1 35 TYR CG C -14.635 -1.694 -0.245 1.00 . A A . 34 TYR CG 1 1 11 5936 1 1 35 TYR CZ C -16.007 -3.908 -1.206 1.00 . A A . 34 TYR CZ 1 1 11 5937 1 1 35 TYR H H -13.051 1.743 1.159 1.00 . A A . 34 TYR H 1 1 11 5938 1 1 35 TYR HA H -15.460 0.910 -0.134 1.00 . A A . 34 TYR HA 1 1 11 5939 1 1 35 TYR HB2 H -13.231 -0.146 -0.515 1.00 . A A . 34 TYR HB2 1 1 11 5940 1 1 35 TYR HB3 H -13.302 -0.795 1.119 1.00 . A A . 34 TYR HB3 1 1 11 5941 1 1 35 TYR HD1 H -15.254 -0.745 -2.050 1.00 . A A . 34 TYR HD1 1 1 11 5942 1 1 35 TYR HD2 H -14.181 -2.921 1.441 1.00 . A A . 34 TYR HD2 1 1 11 5943 1 1 35 TYR HE1 H -16.470 -2.693 -2.900 1.00 . A A . 34 TYR HE1 1 1 11 5944 1 1 35 TYR HE2 H -15.397 -4.881 0.598 1.00 . A A . 34 TYR HE2 1 1 11 5945 1 1 35 TYR HH H -17.254 -5.358 -0.994 1.00 . A A . 34 TYR HH 1 1 11 5946 1 1 35 TYR N N -14.016 1.843 1.003 1.00 . A A . 34 TYR N 1 1 11 5947 1 1 35 TYR O O -16.830 -0.096 1.740 1.00 . A A . 34 TYR O 1 1 11 5948 1 1 35 TYR OH O -16.684 -5.004 -1.688 1.00 . A A . 34 TYR OH 1 1 11 5949 1 1 36 NH2 HN1 H -14.126 0.574 3.103 1.00 . A A . 35 NH2 HN1 1 1 11 5950 1 1 36 NH2 HN2 H -15.584 0.025 3.853 1.00 . A A . 35 NH2 HN2 1 1 11 5951 1 1 36 NH2 N N -15.064 0.287 3.065 1.00 . A A . 35 NH2 N 1 1 12 5952 1 1 1 ACE C C -13.387 -2.478 -4.432 1.00 . A A . 0 ACE C 1 1 12 5953 1 1 1 ACE CH3 C -14.127 -1.435 -3.640 1.00 . A A . 0 ACE CH3 1 1 12 5954 1 1 1 ACE H1 H -13.470 -1.058 -2.863 1.00 . A A . 0 ACE H1 1 1 12 5955 1 1 1 ACE H2 H -14.994 -1.880 -3.192 1.00 . A A . 0 ACE H2 1 1 12 5956 1 1 1 ACE H3 H -14.433 -0.641 -4.312 1.00 . A A . 0 ACE H3 1 1 12 5957 1 1 1 ACE O O -12.974 -2.235 -5.567 1.00 . A A . 0 ACE O 1 1 12 5958 1 1 2 PRO C C -10.887 -3.451 -2.993 1.00 . A A . 1 PRO C 1 1 12 5959 1 1 2 PRO CA C -12.324 -3.861 -2.691 1.00 . A A . 1 PRO CA 1 1 12 5960 1 1 2 PRO CB C -12.404 -5.371 -2.420 1.00 . A A . 1 PRO CB 1 1 12 5961 1 1 2 PRO CD C -13.846 -4.919 -4.264 1.00 . A A . 1 PRO CD 1 1 12 5962 1 1 2 PRO CG C -12.949 -5.968 -3.669 1.00 . A A . 1 PRO CG 1 1 12 5963 1 1 2 PRO HA H -12.680 -3.317 -1.830 1.00 . A A . 1 PRO HA 1 1 12 5964 1 1 2 PRO HB2 H -11.417 -5.760 -2.205 1.00 . A A . 1 PRO HB2 1 1 12 5965 1 1 2 PRO HB3 H -13.071 -5.566 -1.596 1.00 . A A . 1 PRO HB3 1 1 12 5966 1 1 2 PRO HD2 H -13.872 -5.001 -5.340 1.00 . A A . 1 PRO HD2 1 1 12 5967 1 1 2 PRO HD3 H -14.843 -4.991 -3.854 1.00 . A A . 1 PRO HD3 1 1 12 5968 1 1 2 PRO HG2 H -12.136 -6.203 -4.343 1.00 . A A . 1 PRO HG2 1 1 12 5969 1 1 2 PRO HG3 H -13.518 -6.856 -3.438 1.00 . A A . 1 PRO HG3 1 1 12 5970 1 1 2 PRO N N -13.202 -3.668 -3.849 1.00 . A A . 1 PRO N 1 1 12 5971 1 1 2 PRO O O -10.334 -3.832 -4.025 1.00 . A A . 1 PRO O 1 1 12 5972 1 1 3 PRO C C -7.904 -3.370 -2.296 1.00 . A A . 2 PRO C 1 1 12 5973 1 1 3 PRO CA C -8.888 -2.210 -2.300 1.00 . A A . 2 PRO CA 1 1 12 5974 1 1 3 PRO CB C -8.634 -1.289 -1.106 1.00 . A A . 2 PRO CB 1 1 12 5975 1 1 3 PRO CD C -10.835 -2.169 -0.839 1.00 . A A . 2 PRO CD 1 1 12 5976 1 1 3 PRO CG C -9.624 -1.701 -0.078 1.00 . A A . 2 PRO CG 1 1 12 5977 1 1 3 PRO HA H -8.786 -1.651 -3.221 1.00 . A A . 2 PRO HA 1 1 12 5978 1 1 3 PRO HB2 H -7.620 -1.425 -0.746 1.00 . A A . 2 PRO HB2 1 1 12 5979 1 1 3 PRO HB3 H -8.798 -0.262 -1.389 1.00 . A A . 2 PRO HB3 1 1 12 5980 1 1 3 PRO HD2 H -11.339 -2.960 -0.301 1.00 . A A . 2 PRO HD2 1 1 12 5981 1 1 3 PRO HD3 H -11.511 -1.346 -1.020 1.00 . A A . 2 PRO HD3 1 1 12 5982 1 1 3 PRO HG2 H -9.213 -2.507 0.519 1.00 . A A . 2 PRO HG2 1 1 12 5983 1 1 3 PRO HG3 H -9.879 -0.860 0.547 1.00 . A A . 2 PRO HG3 1 1 12 5984 1 1 3 PRO N N -10.262 -2.666 -2.103 1.00 . A A . 2 PRO N 1 1 12 5985 1 1 3 PRO O O -7.995 -4.272 -1.461 1.00 . A A . 2 PRO O 1 1 12 5986 1 1 4 THR C C -4.735 -3.992 -2.539 1.00 . A A . 3 THR C 1 1 12 5987 1 1 4 THR CA C -5.975 -4.387 -3.329 1.00 . A A . 3 THR CA 1 1 12 5988 1 1 4 THR CB C -5.597 -4.643 -4.797 1.00 . A A . 3 THR CB 1 1 12 5989 1 1 4 THR CG2 C -4.715 -5.874 -4.924 1.00 . A A . 3 THR CG2 1 1 12 5990 1 1 4 THR H H -6.958 -2.611 -3.877 1.00 . A A . 3 THR H 1 1 12 5991 1 1 4 THR HA H -6.384 -5.295 -2.914 1.00 . A A . 3 THR HA 1 1 12 5992 1 1 4 THR HB H -5.054 -3.788 -5.165 1.00 . A A . 3 THR HB 1 1 12 5993 1 1 4 THR HG1 H -7.090 -3.957 -5.895 1.00 . A A . 3 THR HG1 1 1 12 5994 1 1 4 THR HG21 H -3.818 -5.735 -4.340 1.00 . A A . 3 THR HG21 1 1 12 5995 1 1 4 THR HG22 H -4.452 -6.024 -5.960 1.00 . A A . 3 THR HG22 1 1 12 5996 1 1 4 THR HG23 H -5.250 -6.738 -4.560 1.00 . A A . 3 THR HG23 1 1 12 5997 1 1 4 THR N N -6.976 -3.348 -3.233 1.00 . A A . 3 THR N 1 1 12 5998 1 1 4 THR O O -4.250 -2.862 -2.656 1.00 . A A . 3 THR O 1 1 12 5999 1 1 4 THR OG1 O -6.789 -4.820 -5.579 1.00 . A A . 3 THR OG1 1 1 12 6000 1 1 5 LYS C C -1.842 -4.470 -1.860 1.00 . A A . 4 LYS C 1 1 12 6001 1 1 5 LYS CA C -3.040 -4.664 -0.937 1.00 . A A . 4 LYS CA 1 1 12 6002 1 1 5 LYS CB C -2.788 -5.818 0.034 1.00 . A A . 4 LYS CB 1 1 12 6003 1 1 5 LYS CD C -3.539 -7.058 2.083 1.00 . A A . 4 LYS CD 1 1 12 6004 1 1 5 LYS CE C -4.483 -7.056 3.276 1.00 . A A . 4 LYS CE 1 1 12 6005 1 1 5 LYS CG C -3.781 -5.862 1.181 1.00 . A A . 4 LYS CG 1 1 12 6006 1 1 5 LYS H H -4.695 -5.778 -1.648 1.00 . A A . 4 LYS H 1 1 12 6007 1 1 5 LYS HA H -3.199 -3.759 -0.373 1.00 . A A . 4 LYS HA 1 1 12 6008 1 1 5 LYS HB2 H -2.855 -6.752 -0.508 1.00 . A A . 4 LYS HB2 1 1 12 6009 1 1 5 LYS HB3 H -1.794 -5.716 0.449 1.00 . A A . 4 LYS HB3 1 1 12 6010 1 1 5 LYS HD2 H -3.692 -7.963 1.515 1.00 . A A . 4 LYS HD2 1 1 12 6011 1 1 5 LYS HD3 H -2.520 -7.022 2.440 1.00 . A A . 4 LYS HD3 1 1 12 6012 1 1 5 LYS HE2 H -4.294 -7.938 3.868 1.00 . A A . 4 LYS HE2 1 1 12 6013 1 1 5 LYS HE3 H -4.287 -6.177 3.872 1.00 . A A . 4 LYS HE3 1 1 12 6014 1 1 5 LYS HG2 H -3.680 -4.961 1.765 1.00 . A A . 4 LYS HG2 1 1 12 6015 1 1 5 LYS HG3 H -4.780 -5.922 0.776 1.00 . A A . 4 LYS HG3 1 1 12 6016 1 1 5 LYS HZ1 H -6.139 -6.160 2.368 1.00 . A A . 4 LYS HZ1 1 1 12 6017 1 1 5 LYS HZ2 H -6.527 -7.142 3.690 1.00 . A A . 4 LYS HZ2 1 1 12 6018 1 1 5 LYS HZ3 H -6.097 -7.845 2.216 1.00 . A A . 4 LYS HZ3 1 1 12 6019 1 1 5 LYS N N -4.243 -4.910 -1.721 1.00 . A A . 4 LYS N 1 1 12 6020 1 1 5 LYS NZ N -5.910 -7.051 2.860 1.00 . A A . 4 LYS NZ 1 1 12 6021 1 1 5 LYS O O -1.792 -5.059 -2.942 1.00 . A A . 4 LYS O 1 1 12 6022 1 1 6 PRO C C 1.079 -4.564 -2.673 1.00 . A A . 5 PRO C 1 1 12 6023 1 1 6 PRO CA C 0.289 -3.320 -2.299 1.00 . A A . 5 PRO CA 1 1 12 6024 1 1 6 PRO CB C 1.139 -2.393 -1.431 1.00 . A A . 5 PRO CB 1 1 12 6025 1 1 6 PRO CD C -0.818 -2.919 -0.168 1.00 . A A . 5 PRO CD 1 1 12 6026 1 1 6 PRO CG C 0.208 -1.846 -0.409 1.00 . A A . 5 PRO CG 1 1 12 6027 1 1 6 PRO HA H -0.006 -2.804 -3.198 1.00 . A A . 5 PRO HA 1 1 12 6028 1 1 6 PRO HB2 H 1.938 -2.957 -0.968 1.00 . A A . 5 PRO HB2 1 1 12 6029 1 1 6 PRO HB3 H 1.541 -1.591 -2.032 1.00 . A A . 5 PRO HB3 1 1 12 6030 1 1 6 PRO HD2 H -0.494 -3.582 0.625 1.00 . A A . 5 PRO HD2 1 1 12 6031 1 1 6 PRO HD3 H -1.777 -2.479 0.072 1.00 . A A . 5 PRO HD3 1 1 12 6032 1 1 6 PRO HG2 H 0.756 -1.626 0.502 1.00 . A A . 5 PRO HG2 1 1 12 6033 1 1 6 PRO HG3 H -0.271 -0.955 -0.789 1.00 . A A . 5 PRO HG3 1 1 12 6034 1 1 6 PRO N N -0.871 -3.628 -1.461 1.00 . A A . 5 PRO N 1 1 12 6035 1 1 6 PRO O O 1.458 -5.358 -1.811 1.00 . A A . 5 PRO O 1 1 12 6036 1 1 7 THR C C 3.560 -5.635 -4.288 1.00 . A A . 6 THR C 1 1 12 6037 1 1 7 THR CA C 2.061 -5.869 -4.464 1.00 . A A . 6 THR CA 1 1 12 6038 1 1 7 THR CB C 1.745 -6.102 -5.949 1.00 . A A . 6 THR CB 1 1 12 6039 1 1 7 THR CG2 C 2.101 -7.519 -6.364 1.00 . A A . 6 THR CG2 1 1 12 6040 1 1 7 THR H H 0.981 -4.063 -4.601 1.00 . A A . 6 THR H 1 1 12 6041 1 1 7 THR HA H 1.765 -6.741 -3.905 1.00 . A A . 6 THR HA 1 1 12 6042 1 1 7 THR HB H 2.327 -5.411 -6.536 1.00 . A A . 6 THR HB 1 1 12 6043 1 1 7 THR HG1 H -0.175 -6.383 -5.556 1.00 . A A . 6 THR HG1 1 1 12 6044 1 1 7 THR HG21 H 1.895 -7.648 -7.415 1.00 . A A . 6 THR HG21 1 1 12 6045 1 1 7 THR HG22 H 1.513 -8.219 -5.791 1.00 . A A . 6 THR HG22 1 1 12 6046 1 1 7 THR HG23 H 3.150 -7.693 -6.177 1.00 . A A . 6 THR HG23 1 1 12 6047 1 1 7 THR N N 1.318 -4.729 -3.964 1.00 . A A . 6 THR N 1 1 12 6048 1 1 7 THR O O 4.367 -6.562 -4.338 1.00 . A A . 6 THR O 1 1 12 6049 1 1 7 THR OG1 O 0.347 -5.874 -6.193 1.00 . A A . 6 THR OG1 1 1 12 6050 1 1 8 LYS C C 5.796 -4.461 -2.525 1.00 . A A . 7 LYS C 1 1 12 6051 1 1 8 LYS CA C 5.298 -3.976 -3.882 1.00 . A A . 7 LYS CA 1 1 12 6052 1 1 8 LYS CB C 5.412 -2.450 -3.969 1.00 . A A . 7 LYS CB 1 1 12 6053 1 1 8 LYS CD C 4.734 -0.338 -5.173 1.00 . A A . 7 LYS CD 1 1 12 6054 1 1 8 LYS CE C 3.865 0.245 -6.283 1.00 . A A . 7 LYS CE 1 1 12 6055 1 1 8 LYS CG C 4.711 -1.862 -5.186 1.00 . A A . 7 LYS CG 1 1 12 6056 1 1 8 LYS H H 3.217 -3.692 -4.032 1.00 . A A . 7 LYS H 1 1 12 6057 1 1 8 LYS HA H 5.891 -4.428 -4.663 1.00 . A A . 7 LYS HA 1 1 12 6058 1 1 8 LYS HB2 H 4.978 -2.016 -3.081 1.00 . A A . 7 LYS HB2 1 1 12 6059 1 1 8 LYS HB3 H 6.456 -2.180 -4.016 1.00 . A A . 7 LYS HB3 1 1 12 6060 1 1 8 LYS HD2 H 4.361 0.010 -4.220 1.00 . A A . 7 LYS HD2 1 1 12 6061 1 1 8 LYS HD3 H 5.750 0.000 -5.308 1.00 . A A . 7 LYS HD3 1 1 12 6062 1 1 8 LYS HE2 H 2.837 -0.028 -6.099 1.00 . A A . 7 LYS HE2 1 1 12 6063 1 1 8 LYS HE3 H 3.958 1.322 -6.263 1.00 . A A . 7 LYS HE3 1 1 12 6064 1 1 8 LYS HG2 H 5.211 -2.208 -6.079 1.00 . A A . 7 LYS HG2 1 1 12 6065 1 1 8 LYS HG3 H 3.683 -2.199 -5.193 1.00 . A A . 7 LYS HG3 1 1 12 6066 1 1 8 LYS HZ1 H 4.216 -1.286 -7.662 1.00 . A A . 7 LYS HZ1 1 1 12 6067 1 1 8 LYS HZ2 H 5.227 0.058 -7.859 1.00 . A A . 7 LYS HZ2 1 1 12 6068 1 1 8 LYS HZ3 H 3.612 0.134 -8.353 1.00 . A A . 7 LYS HZ3 1 1 12 6069 1 1 8 LYS N N 3.914 -4.375 -4.073 1.00 . A A . 7 LYS N 1 1 12 6070 1 1 8 LYS NZ N 4.259 -0.247 -7.632 1.00 . A A . 7 LYS NZ 1 1 12 6071 1 1 8 LYS O O 5.057 -4.417 -1.542 1.00 . A A . 7 LYS O 1 1 12 6072 1 1 9 PRO C C 7.643 -4.359 -0.126 1.00 . A A . 8 PRO C 1 1 12 6073 1 1 9 PRO CA C 7.639 -5.429 -1.209 1.00 . A A . 8 PRO CA 1 1 12 6074 1 1 9 PRO CB C 9.075 -5.792 -1.601 1.00 . A A . 8 PRO CB 1 1 12 6075 1 1 9 PRO CD C 7.966 -5.088 -3.592 1.00 . A A . 8 PRO CD 1 1 12 6076 1 1 9 PRO CG C 9.307 -5.132 -2.915 1.00 . A A . 8 PRO CG 1 1 12 6077 1 1 9 PRO HA H 7.131 -6.307 -0.842 1.00 . A A . 8 PRO HA 1 1 12 6078 1 1 9 PRO HB2 H 9.764 -5.416 -0.851 1.00 . A A . 8 PRO HB2 1 1 12 6079 1 1 9 PRO HB3 H 9.174 -6.862 -1.696 1.00 . A A . 8 PRO HB3 1 1 12 6080 1 1 9 PRO HD2 H 7.897 -4.235 -4.252 1.00 . A A . 8 PRO HD2 1 1 12 6081 1 1 9 PRO HD3 H 7.778 -6.006 -4.134 1.00 . A A . 8 PRO HD3 1 1 12 6082 1 1 9 PRO HG2 H 9.683 -4.129 -2.755 1.00 . A A . 8 PRO HG2 1 1 12 6083 1 1 9 PRO HG3 H 10.003 -5.706 -3.506 1.00 . A A . 8 PRO HG3 1 1 12 6084 1 1 9 PRO N N 7.041 -4.952 -2.459 1.00 . A A . 8 PRO N 1 1 12 6085 1 1 9 PRO O O 7.956 -3.197 -0.385 1.00 . A A . 8 PRO O 1 1 12 6086 1 1 10 GLY C C 8.027 -4.349 3.384 1.00 . A A . 9 GLY C 1 1 12 6087 1 1 10 GLY CA C 7.259 -3.834 2.190 1.00 . A A . 9 GLY CA 1 1 12 6088 1 1 10 GLY H H 7.050 -5.701 1.223 1.00 . A A . 9 GLY H 1 1 12 6089 1 1 10 GLY HA2 H 7.691 -2.898 1.874 1.00 . A A . 9 GLY HA2 1 1 12 6090 1 1 10 GLY HA3 H 6.233 -3.669 2.478 1.00 . A A . 9 GLY HA3 1 1 12 6091 1 1 10 GLY N N 7.293 -4.761 1.082 1.00 . A A . 9 GLY N 1 1 12 6092 1 1 10 GLY O O 7.907 -3.819 4.486 1.00 . A A . 9 GLY O 1 1 12 6093 1 1 11 ASP C C 11.083 -5.941 3.883 1.00 . A A . 10 ASP C 1 1 12 6094 1 1 11 ASP CA C 9.603 -5.989 4.233 1.00 . A A . 10 ASP CA 1 1 12 6095 1 1 11 ASP CB C 9.179 -7.438 4.506 1.00 . A A . 10 ASP CB 1 1 12 6096 1 1 11 ASP CG C 7.718 -7.563 4.891 1.00 . A A . 10 ASP CG 1 1 12 6097 1 1 11 ASP H H 8.840 -5.788 2.268 1.00 . A A . 10 ASP H 1 1 12 6098 1 1 11 ASP HA H 9.441 -5.406 5.124 1.00 . A A . 10 ASP HA 1 1 12 6099 1 1 11 ASP HB2 H 9.347 -8.027 3.618 1.00 . A A . 10 ASP HB2 1 1 12 6100 1 1 11 ASP HB3 H 9.779 -7.835 5.312 1.00 . A A . 10 ASP HB3 1 1 12 6101 1 1 11 ASP N N 8.805 -5.399 3.166 1.00 . A A . 10 ASP N 1 1 12 6102 1 1 11 ASP O O 11.879 -5.340 4.599 1.00 . A A . 10 ASP O 1 1 12 6103 1 1 11 ASP OD1 O 7.359 -7.174 6.022 1.00 . A A . 10 ASP OD1 1 1 12 6104 1 1 11 ASP OD2 O 6.916 -8.060 4.069 1.00 . A A . 10 ASP OD2 1 1 12 6105 1 1 12 ASN C C 13.235 -5.412 1.505 1.00 . A A . 11 ASN C 1 1 12 6106 1 1 12 ASN CA C 12.849 -6.623 2.347 1.00 . A A . 11 ASN CA 1 1 12 6107 1 1 12 ASN CB C 13.129 -7.903 1.543 1.00 . A A . 11 ASN CB 1 1 12 6108 1 1 12 ASN CG C 12.573 -7.854 0.123 1.00 . A A . 11 ASN CG 1 1 12 6109 1 1 12 ASN H H 10.756 -6.968 2.199 1.00 . A A . 11 ASN H 1 1 12 6110 1 1 12 ASN HA H 13.454 -6.631 3.240 1.00 . A A . 11 ASN HA 1 1 12 6111 1 1 12 ASN HB2 H 14.197 -8.048 1.480 1.00 . A A . 11 ASN HB2 1 1 12 6112 1 1 12 ASN HB3 H 12.689 -8.746 2.055 1.00 . A A . 11 ASN HB3 1 1 12 6113 1 1 12 ASN HD21 H 10.898 -8.747 0.704 1.00 . A A . 11 ASN HD21 1 1 12 6114 1 1 12 ASN HD22 H 10.996 -8.353 -0.976 1.00 . A A . 11 ASN HD22 1 1 12 6115 1 1 12 ASN N N 11.445 -6.552 2.760 1.00 . A A . 11 ASN N 1 1 12 6116 1 1 12 ASN ND2 N 11.368 -8.366 -0.067 1.00 . A A . 11 ASN ND2 1 1 12 6117 1 1 12 ASN O O 14.370 -5.304 1.036 1.00 . A A . 11 ASN O 1 1 12 6118 1 1 12 ASN OD1 O 13.231 -7.370 -0.800 1.00 . A A . 11 ASN OD1 1 1 12 6119 1 1 13 ALA C C 13.386 -2.315 1.074 1.00 . A A . 12 ALA C 1 1 12 6120 1 1 13 ALA CA C 12.482 -3.368 0.447 1.00 . A A . 12 ALA CA 1 1 12 6121 1 1 13 ALA CB C 11.137 -2.769 0.078 1.00 . A A . 12 ALA CB 1 1 12 6122 1 1 13 ALA H H 11.451 -4.597 1.812 1.00 . A A . 12 ALA H 1 1 12 6123 1 1 13 ALA HA H 12.945 -3.727 -0.458 1.00 . A A . 12 ALA HA 1 1 12 6124 1 1 13 ALA HB1 H 10.494 -3.546 -0.312 1.00 . A A . 12 ALA HB1 1 1 12 6125 1 1 13 ALA HB2 H 11.277 -2.009 -0.673 1.00 . A A . 12 ALA HB2 1 1 12 6126 1 1 13 ALA HB3 H 10.684 -2.333 0.956 1.00 . A A . 12 ALA HB3 1 1 12 6127 1 1 13 ALA N N 12.292 -4.506 1.327 1.00 . A A . 12 ALA N 1 1 12 6128 1 1 13 ALA O O 13.505 -2.226 2.298 1.00 . A A . 12 ALA O 1 1 12 6129 1 1 14 THR C C 14.094 0.696 1.227 1.00 . A A . 13 THR C 1 1 12 6130 1 1 14 THR CA C 14.907 -0.463 0.665 1.00 . A A . 13 THR CA 1 1 12 6131 1 1 14 THR CB C 15.775 0.040 -0.503 1.00 . A A . 13 THR CB 1 1 12 6132 1 1 14 THR CG2 C 16.690 -1.064 -0.997 1.00 . A A . 13 THR CG2 1 1 12 6133 1 1 14 THR H H 13.913 -1.679 -0.742 1.00 . A A . 13 THR H 1 1 12 6134 1 1 14 THR HA H 15.557 -0.845 1.435 1.00 . A A . 13 THR HA 1 1 12 6135 1 1 14 THR HB H 16.381 0.860 -0.156 1.00 . A A . 13 THR HB 1 1 12 6136 1 1 14 THR HG1 H 15.495 0.704 -2.341 1.00 . A A . 13 THR HG1 1 1 12 6137 1 1 14 THR HG21 H 17.350 -1.365 -0.198 1.00 . A A . 13 THR HG21 1 1 12 6138 1 1 14 THR HG22 H 17.272 -0.704 -1.833 1.00 . A A . 13 THR HG22 1 1 12 6139 1 1 14 THR HG23 H 16.094 -1.909 -1.309 1.00 . A A . 13 THR HG23 1 1 12 6140 1 1 14 THR N N 14.031 -1.532 0.223 1.00 . A A . 13 THR N 1 1 12 6141 1 1 14 THR O O 12.920 0.846 0.893 1.00 . A A . 13 THR O 1 1 12 6142 1 1 14 THR OG1 O 14.943 0.496 -1.578 1.00 . A A . 13 THR OG1 1 1 12 6143 1 1 15 PRO C C 13.479 3.616 1.562 1.00 . A A . 14 PRO C 1 1 12 6144 1 1 15 PRO CA C 14.033 2.704 2.653 1.00 . A A . 14 PRO CA 1 1 12 6145 1 1 15 PRO CB C 15.140 3.412 3.449 1.00 . A A . 14 PRO CB 1 1 12 6146 1 1 15 PRO CD C 16.084 1.405 2.571 1.00 . A A . 14 PRO CD 1 1 12 6147 1 1 15 PRO CG C 16.417 2.811 2.986 1.00 . A A . 14 PRO CG 1 1 12 6148 1 1 15 PRO HA H 13.233 2.417 3.317 1.00 . A A . 14 PRO HA 1 1 12 6149 1 1 15 PRO HB2 H 15.119 4.473 3.243 1.00 . A A . 14 PRO HB2 1 1 12 6150 1 1 15 PRO HB3 H 15.014 3.232 4.503 1.00 . A A . 14 PRO HB3 1 1 12 6151 1 1 15 PRO HD2 H 16.744 1.074 1.786 1.00 . A A . 14 PRO HD2 1 1 12 6152 1 1 15 PRO HD3 H 16.132 0.734 3.415 1.00 . A A . 14 PRO HD3 1 1 12 6153 1 1 15 PRO HG2 H 16.800 3.383 2.145 1.00 . A A . 14 PRO HG2 1 1 12 6154 1 1 15 PRO HG3 H 17.131 2.799 3.796 1.00 . A A . 14 PRO HG3 1 1 12 6155 1 1 15 PRO N N 14.703 1.533 2.083 1.00 . A A . 14 PRO N 1 1 12 6156 1 1 15 PRO O O 12.457 4.280 1.748 1.00 . A A . 14 PRO O 1 1 12 6157 1 1 16 GLU C C 12.413 3.853 -1.278 1.00 . A A . 15 GLU C 1 1 12 6158 1 1 16 GLU CA C 13.734 4.389 -0.737 1.00 . A A . 15 GLU CA 1 1 12 6159 1 1 16 GLU CB C 14.816 4.333 -1.818 1.00 . A A . 15 GLU CB 1 1 12 6160 1 1 16 GLU CD C 15.651 5.159 -4.052 1.00 . A A . 15 GLU CD 1 1 12 6161 1 1 16 GLU CG C 14.524 5.193 -3.039 1.00 . A A . 15 GLU CG 1 1 12 6162 1 1 16 GLU H H 14.975 3.082 0.354 1.00 . A A . 15 GLU H 1 1 12 6163 1 1 16 GLU HA H 13.598 5.412 -0.426 1.00 . A A . 15 GLU HA 1 1 12 6164 1 1 16 GLU HB2 H 15.748 4.666 -1.387 1.00 . A A . 15 GLU HB2 1 1 12 6165 1 1 16 GLU HB3 H 14.929 3.308 -2.142 1.00 . A A . 15 GLU HB3 1 1 12 6166 1 1 16 GLU HG2 H 13.621 4.836 -3.513 1.00 . A A . 15 GLU HG2 1 1 12 6167 1 1 16 GLU HG3 H 14.380 6.212 -2.717 1.00 . A A . 15 GLU HG3 1 1 12 6168 1 1 16 GLU N N 14.160 3.621 0.420 1.00 . A A . 15 GLU N 1 1 12 6169 1 1 16 GLU O O 11.463 4.604 -1.502 1.00 . A A . 15 GLU O 1 1 12 6170 1 1 16 GLU OE1 O 15.486 4.509 -5.107 1.00 . A A . 15 GLU OE1 1 1 12 6171 1 1 16 GLU OE2 O 16.709 5.780 -3.804 1.00 . A A . 15 GLU OE2 1 1 12 6172 1 1 17 LYS C C 10.056 1.816 -0.999 1.00 . A A . 16 LYS C 1 1 12 6173 1 1 17 LYS CA C 11.176 1.904 -2.030 1.00 . A A . 16 LYS CA 1 1 12 6174 1 1 17 LYS CB C 11.534 0.510 -2.547 1.00 . A A . 16 LYS CB 1 1 12 6175 1 1 17 LYS CD C 10.814 -1.540 -3.803 1.00 . A A . 16 LYS CD 1 1 12 6176 1 1 17 LYS CE C 9.749 -2.152 -4.696 1.00 . A A . 16 LYS CE 1 1 12 6177 1 1 17 LYS CG C 10.422 -0.146 -3.347 1.00 . A A . 16 LYS CG 1 1 12 6178 1 1 17 LYS H H 13.108 1.981 -1.183 1.00 . A A . 16 LYS H 1 1 12 6179 1 1 17 LYS HA H 10.841 2.512 -2.856 1.00 . A A . 16 LYS HA 1 1 12 6180 1 1 17 LYS HB2 H 12.409 0.583 -3.178 1.00 . A A . 16 LYS HB2 1 1 12 6181 1 1 17 LYS HB3 H 11.763 -0.122 -1.703 1.00 . A A . 16 LYS HB3 1 1 12 6182 1 1 17 LYS HD2 H 11.740 -1.482 -4.352 1.00 . A A . 16 LYS HD2 1 1 12 6183 1 1 17 LYS HD3 H 10.946 -2.169 -2.934 1.00 . A A . 16 LYS HD3 1 1 12 6184 1 1 17 LYS HE2 H 9.992 -3.190 -4.863 1.00 . A A . 16 LYS HE2 1 1 12 6185 1 1 17 LYS HE3 H 8.795 -2.083 -4.193 1.00 . A A . 16 LYS HE3 1 1 12 6186 1 1 17 LYS HG2 H 9.540 -0.216 -2.730 1.00 . A A . 16 LYS HG2 1 1 12 6187 1 1 17 LYS HG3 H 10.210 0.461 -4.215 1.00 . A A . 16 LYS HG3 1 1 12 6188 1 1 17 LYS HZ1 H 10.546 -1.561 -6.533 1.00 . A A . 16 LYS HZ1 1 1 12 6189 1 1 17 LYS HZ2 H 9.452 -0.453 -5.876 1.00 . A A . 16 LYS HZ2 1 1 12 6190 1 1 17 LYS HZ3 H 8.887 -1.882 -6.578 1.00 . A A . 16 LYS HZ3 1 1 12 6191 1 1 17 LYS N N 12.349 2.540 -1.456 1.00 . A A . 16 LYS N 1 1 12 6192 1 1 17 LYS NZ N 9.652 -1.463 -6.010 1.00 . A A . 16 LYS NZ 1 1 12 6193 1 1 17 LYS O O 8.875 1.902 -1.340 1.00 . A A . 16 LYS O 1 1 12 6194 1 1 18 LEU C C 8.691 2.920 1.444 1.00 . A A . 17 LEU C 1 1 12 6195 1 1 18 LEU CA C 9.468 1.614 1.354 1.00 . A A . 17 LEU CA 1 1 12 6196 1 1 18 LEU CB C 10.162 1.326 2.685 1.00 . A A . 17 LEU CB 1 1 12 6197 1 1 18 LEU CD1 C 11.381 -0.253 4.191 1.00 . A A . 17 LEU CD1 1 1 12 6198 1 1 18 LEU CD2 C 9.469 -1.074 2.817 1.00 . A A . 17 LEU CD2 1 1 12 6199 1 1 18 LEU CG C 10.641 -0.111 2.874 1.00 . A A . 17 LEU CG 1 1 12 6200 1 1 18 LEU H H 11.388 1.543 0.471 1.00 . A A . 17 LEU H 1 1 12 6201 1 1 18 LEU HA H 8.776 0.816 1.143 1.00 . A A . 17 LEU HA 1 1 12 6202 1 1 18 LEU HB2 H 11.016 1.978 2.765 1.00 . A A . 17 LEU HB2 1 1 12 6203 1 1 18 LEU HB3 H 9.477 1.563 3.484 1.00 . A A . 17 LEU HB3 1 1 12 6204 1 1 18 LEU HD11 H 11.672 -1.283 4.333 1.00 . A A . 17 LEU HD11 1 1 12 6205 1 1 18 LEU HD12 H 10.735 0.054 5.001 1.00 . A A . 17 LEU HD12 1 1 12 6206 1 1 18 LEU HD13 H 12.261 0.371 4.177 1.00 . A A . 17 LEU HD13 1 1 12 6207 1 1 18 LEU HD21 H 9.812 -2.074 3.041 1.00 . A A . 17 LEU HD21 1 1 12 6208 1 1 18 LEU HD22 H 9.039 -1.057 1.827 1.00 . A A . 17 LEU HD22 1 1 12 6209 1 1 18 LEU HD23 H 8.723 -0.777 3.539 1.00 . A A . 17 LEU HD23 1 1 12 6210 1 1 18 LEU HG H 11.326 -0.364 2.077 1.00 . A A . 17 LEU HG 1 1 12 6211 1 1 18 LEU N N 10.432 1.657 0.266 1.00 . A A . 17 LEU N 1 1 12 6212 1 1 18 LEU O O 7.526 2.929 1.830 1.00 . A A . 17 LEU O 1 1 12 6213 1 1 19 ALA C C 7.525 5.297 0.050 1.00 . A A . 18 ALA C 1 1 12 6214 1 1 19 ALA CA C 8.676 5.313 1.045 1.00 . A A . 18 ALA CA 1 1 12 6215 1 1 19 ALA CB C 9.670 6.403 0.691 1.00 . A A . 18 ALA CB 1 1 12 6216 1 1 19 ALA H H 10.282 3.960 0.826 1.00 . A A . 18 ALA H 1 1 12 6217 1 1 19 ALA HA H 8.287 5.513 2.031 1.00 . A A . 18 ALA HA 1 1 12 6218 1 1 19 ALA HB1 H 10.044 6.234 -0.308 1.00 . A A . 18 ALA HB1 1 1 12 6219 1 1 19 ALA HB2 H 10.490 6.381 1.392 1.00 . A A . 18 ALA HB2 1 1 12 6220 1 1 19 ALA HB3 H 9.181 7.364 0.736 1.00 . A A . 18 ALA HB3 1 1 12 6221 1 1 19 ALA N N 9.337 4.020 1.077 1.00 . A A . 18 ALA N 1 1 12 6222 1 1 19 ALA O O 6.461 5.868 0.295 1.00 . A A . 18 ALA O 1 1 12 6223 1 1 20 LYS C C 5.643 3.495 -1.599 1.00 . A A . 19 LYS C 1 1 12 6224 1 1 20 LYS CA C 6.714 4.467 -2.084 1.00 . A A . 19 LYS CA 1 1 12 6225 1 1 20 LYS CB C 7.343 3.969 -3.386 1.00 . A A . 19 LYS CB 1 1 12 6226 1 1 20 LYS CD C 7.047 3.360 -5.808 1.00 . A A . 19 LYS CD 1 1 12 6227 1 1 20 LYS CE C 8.180 4.265 -6.278 1.00 . A A . 19 LYS CE 1 1 12 6228 1 1 20 LYS CG C 6.373 3.894 -4.553 1.00 . A A . 19 LYS CG 1 1 12 6229 1 1 20 LYS H H 8.624 4.215 -1.216 1.00 . A A . 19 LYS H 1 1 12 6230 1 1 20 LYS HA H 6.263 5.432 -2.252 1.00 . A A . 19 LYS HA 1 1 12 6231 1 1 20 LYS HB2 H 8.146 4.637 -3.656 1.00 . A A . 19 LYS HB2 1 1 12 6232 1 1 20 LYS HB3 H 7.750 2.982 -3.219 1.00 . A A . 19 LYS HB3 1 1 12 6233 1 1 20 LYS HD2 H 7.449 2.380 -5.597 1.00 . A A . 19 LYS HD2 1 1 12 6234 1 1 20 LYS HD3 H 6.309 3.285 -6.593 1.00 . A A . 19 LYS HD3 1 1 12 6235 1 1 20 LYS HE2 H 8.906 4.354 -5.486 1.00 . A A . 19 LYS HE2 1 1 12 6236 1 1 20 LYS HE3 H 8.648 3.815 -7.141 1.00 . A A . 19 LYS HE3 1 1 12 6237 1 1 20 LYS HG2 H 5.556 3.238 -4.288 1.00 . A A . 19 LYS HG2 1 1 12 6238 1 1 20 LYS HG3 H 5.989 4.883 -4.754 1.00 . A A . 19 LYS HG3 1 1 12 6239 1 1 20 LYS HZ1 H 8.486 6.198 -7.004 1.00 . A A . 19 LYS HZ1 1 1 12 6240 1 1 20 LYS HZ2 H 7.288 6.098 -5.816 1.00 . A A . 19 LYS HZ2 1 1 12 6241 1 1 20 LYS HZ3 H 6.969 5.558 -7.385 1.00 . A A . 19 LYS HZ3 1 1 12 6242 1 1 20 LYS N N 7.743 4.621 -1.068 1.00 . A A . 19 LYS N 1 1 12 6243 1 1 20 LYS NZ N 7.698 5.623 -6.645 1.00 . A A . 19 LYS NZ 1 1 12 6244 1 1 20 LYS O O 4.452 3.681 -1.854 1.00 . A A . 19 LYS O 1 1 12 6245 1 1 21 TYR C C 4.232 2.176 0.695 1.00 . A A . 20 TYR C 1 1 12 6246 1 1 21 TYR CA C 5.167 1.493 -0.294 1.00 . A A . 20 TYR CA 1 1 12 6247 1 1 21 TYR CB C 5.961 0.382 0.403 1.00 . A A . 20 TYR CB 1 1 12 6248 1 1 21 TYR CD1 C 4.561 -1.722 0.378 1.00 . A A . 20 TYR CD1 1 1 12 6249 1 1 21 TYR CD2 C 4.845 -0.589 2.456 1.00 . A A . 20 TYR CD2 1 1 12 6250 1 1 21 TYR CE1 C 3.785 -2.680 1.003 1.00 . A A . 20 TYR CE1 1 1 12 6251 1 1 21 TYR CE2 C 4.068 -1.542 3.087 1.00 . A A . 20 TYR CE2 1 1 12 6252 1 1 21 TYR CG C 5.104 -0.662 1.090 1.00 . A A . 20 TYR CG 1 1 12 6253 1 1 21 TYR CZ C 3.541 -2.583 2.357 1.00 . A A . 20 TYR CZ 1 1 12 6254 1 1 21 TYR H H 7.044 2.360 -0.743 1.00 . A A . 20 TYR H 1 1 12 6255 1 1 21 TYR HA H 4.580 1.062 -1.092 1.00 . A A . 20 TYR HA 1 1 12 6256 1 1 21 TYR HB2 H 6.571 -0.124 -0.331 1.00 . A A . 20 TYR HB2 1 1 12 6257 1 1 21 TYR HB3 H 6.601 0.828 1.150 1.00 . A A . 20 TYR HB3 1 1 12 6258 1 1 21 TYR HD1 H 4.754 -1.795 -0.683 1.00 . A A . 20 TYR HD1 1 1 12 6259 1 1 21 TYR HD2 H 5.260 0.228 3.025 1.00 . A A . 20 TYR HD2 1 1 12 6260 1 1 21 TYR HE1 H 3.372 -3.498 0.432 1.00 . A A . 20 TYR HE1 1 1 12 6261 1 1 21 TYR HE2 H 3.877 -1.466 4.147 1.00 . A A . 20 TYR HE2 1 1 12 6262 1 1 21 TYR HH H 2.134 -3.107 3.569 1.00 . A A . 20 TYR HH 1 1 12 6263 1 1 21 TYR N N 6.078 2.468 -0.881 1.00 . A A . 20 TYR N 1 1 12 6264 1 1 21 TYR O O 3.034 1.914 0.710 1.00 . A A . 20 TYR O 1 1 12 6265 1 1 21 TYR OH O 2.767 -3.537 2.983 1.00 . A A . 20 TYR OH 1 1 12 6266 1 1 22 GLN C C 2.975 4.690 1.802 1.00 . A A . 21 GLN C 1 1 12 6267 1 1 22 GLN CA C 4.015 3.816 2.487 1.00 . A A . 21 GLN CA 1 1 12 6268 1 1 22 GLN CB C 4.935 4.682 3.351 1.00 . A A . 21 GLN CB 1 1 12 6269 1 1 22 GLN CD C 6.847 4.759 5.002 1.00 . A A . 21 GLN CD 1 1 12 6270 1 1 22 GLN CG C 5.875 3.881 4.238 1.00 . A A . 21 GLN CG 1 1 12 6271 1 1 22 GLN H H 5.761 3.225 1.445 1.00 . A A . 21 GLN H 1 1 12 6272 1 1 22 GLN HA H 3.503 3.105 3.118 1.00 . A A . 21 GLN HA 1 1 12 6273 1 1 22 GLN HB2 H 5.533 5.306 2.702 1.00 . A A . 21 GLN HB2 1 1 12 6274 1 1 22 GLN HB3 H 4.329 5.313 3.981 1.00 . A A . 21 GLN HB3 1 1 12 6275 1 1 22 GLN HE21 H 8.196 3.299 5.016 1.00 . A A . 21 GLN HE21 1 1 12 6276 1 1 22 GLN HE22 H 8.671 4.770 5.790 1.00 . A A . 21 GLN HE22 1 1 12 6277 1 1 22 GLN HG2 H 5.286 3.319 4.949 1.00 . A A . 21 GLN HG2 1 1 12 6278 1 1 22 GLN HG3 H 6.438 3.197 3.619 1.00 . A A . 21 GLN HG3 1 1 12 6279 1 1 22 GLN N N 4.791 3.068 1.505 1.00 . A A . 21 GLN N 1 1 12 6280 1 1 22 GLN NE2 N 8.021 4.224 5.299 1.00 . A A . 21 GLN NE2 1 1 12 6281 1 1 22 GLN O O 1.881 4.897 2.325 1.00 . A A . 21 GLN O 1 1 12 6282 1 1 22 GLN OE1 O 6.542 5.907 5.331 1.00 . A A . 21 GLN OE1 1 1 12 6283 1 1 23 ALA C C 1.281 5.206 -0.737 1.00 . A A . 22 ALA C 1 1 12 6284 1 1 23 ALA CA C 2.417 6.030 -0.140 1.00 . A A . 22 ALA CA 1 1 12 6285 1 1 23 ALA CB C 3.179 6.760 -1.232 1.00 . A A . 22 ALA CB 1 1 12 6286 1 1 23 ALA H H 4.208 4.989 0.260 1.00 . A A . 22 ALA H 1 1 12 6287 1 1 23 ALA HA H 2.001 6.766 0.530 1.00 . A A . 22 ALA HA 1 1 12 6288 1 1 23 ALA HB1 H 3.964 7.354 -0.788 1.00 . A A . 22 ALA HB1 1 1 12 6289 1 1 23 ALA HB2 H 2.503 7.402 -1.776 1.00 . A A . 22 ALA HB2 1 1 12 6290 1 1 23 ALA HB3 H 3.614 6.039 -1.909 1.00 . A A . 22 ALA HB3 1 1 12 6291 1 1 23 ALA N N 3.320 5.190 0.624 1.00 . A A . 22 ALA N 1 1 12 6292 1 1 23 ALA O O 0.117 5.615 -0.700 1.00 . A A . 22 ALA O 1 1 12 6293 1 1 24 ASP C C -0.250 2.535 -0.789 1.00 . A A . 23 ASP C 1 1 12 6294 1 1 24 ASP CA C 0.619 3.161 -1.874 1.00 . A A . 23 ASP CA 1 1 12 6295 1 1 24 ASP CB C 1.287 2.067 -2.716 1.00 . A A . 23 ASP CB 1 1 12 6296 1 1 24 ASP CG C 0.281 1.247 -3.505 1.00 . A A . 23 ASP CG 1 1 12 6297 1 1 24 ASP H H 2.565 3.771 -1.275 1.00 . A A . 23 ASP H 1 1 12 6298 1 1 24 ASP HA H -0.008 3.766 -2.514 1.00 . A A . 23 ASP HA 1 1 12 6299 1 1 24 ASP HB2 H 1.974 2.526 -3.415 1.00 . A A . 23 ASP HB2 1 1 12 6300 1 1 24 ASP HB3 H 1.834 1.402 -2.060 1.00 . A A . 23 ASP HB3 1 1 12 6301 1 1 24 ASP N N 1.619 4.042 -1.274 1.00 . A A . 23 ASP N 1 1 12 6302 1 1 24 ASP O O -1.458 2.362 -0.962 1.00 . A A . 23 ASP O 1 1 12 6303 1 1 24 ASP OD1 O 0.102 0.051 -3.199 1.00 . A A . 23 ASP OD1 1 1 12 6304 1 1 24 ASP OD2 O -0.333 1.799 -4.441 1.00 . A A . 23 ASP OD2 1 1 12 6305 1 1 25 LEU C C -1.301 2.755 2.024 1.00 . A A . 24 LEU C 1 1 12 6306 1 1 25 LEU CA C -0.336 1.694 1.500 1.00 . A A . 24 LEU CA 1 1 12 6307 1 1 25 LEU CB C 0.678 1.257 2.580 1.00 . A A . 24 LEU CB 1 1 12 6308 1 1 25 LEU CD1 C -0.441 1.527 4.819 1.00 . A A . 24 LEU CD1 1 1 12 6309 1 1 25 LEU CD2 C -0.952 -0.475 3.410 1.00 . A A . 24 LEU CD2 1 1 12 6310 1 1 25 LEU CG C 0.115 0.534 3.814 1.00 . A A . 24 LEU CG 1 1 12 6311 1 1 25 LEU H H 1.352 2.328 0.389 1.00 . A A . 24 LEU H 1 1 12 6312 1 1 25 LEU HA H -0.909 0.834 1.182 1.00 . A A . 24 LEU HA 1 1 12 6313 1 1 25 LEU HB2 H 1.403 0.602 2.117 1.00 . A A . 24 LEU HB2 1 1 12 6314 1 1 25 LEU HB3 H 1.194 2.140 2.923 1.00 . A A . 24 LEU HB3 1 1 12 6315 1 1 25 LEU HD11 H -0.883 0.996 5.647 1.00 . A A . 24 LEU HD11 1 1 12 6316 1 1 25 LEU HD12 H -1.192 2.139 4.339 1.00 . A A . 24 LEU HD12 1 1 12 6317 1 1 25 LEU HD13 H 0.358 2.158 5.179 1.00 . A A . 24 LEU HD13 1 1 12 6318 1 1 25 LEU HD21 H -1.772 0.041 2.936 1.00 . A A . 24 LEU HD21 1 1 12 6319 1 1 25 LEU HD22 H -1.311 -0.990 4.288 1.00 . A A . 24 LEU HD22 1 1 12 6320 1 1 25 LEU HD23 H -0.530 -1.190 2.720 1.00 . A A . 24 LEU HD23 1 1 12 6321 1 1 25 LEU HG H 0.916 -0.007 4.297 1.00 . A A . 24 LEU HG 1 1 12 6322 1 1 25 LEU N N 0.375 2.213 0.338 1.00 . A A . 24 LEU N 1 1 12 6323 1 1 25 LEU O O -2.416 2.445 2.438 1.00 . A A . 24 LEU O 1 1 12 6324 1 1 26 ALA C C -2.951 5.214 1.497 1.00 . A A . 25 ALA C 1 1 12 6325 1 1 26 ALA CA C -1.714 5.127 2.383 1.00 . A A . 25 ALA CA 1 1 12 6326 1 1 26 ALA CB C -0.930 6.423 2.317 1.00 . A A . 25 ALA CB 1 1 12 6327 1 1 26 ALA H H 0.050 4.191 1.688 1.00 . A A . 25 ALA H 1 1 12 6328 1 1 26 ALA HA H -2.021 4.968 3.405 1.00 . A A . 25 ALA HA 1 1 12 6329 1 1 26 ALA HB1 H -0.665 6.629 1.290 1.00 . A A . 25 ALA HB1 1 1 12 6330 1 1 26 ALA HB2 H -0.033 6.328 2.908 1.00 . A A . 25 ALA HB2 1 1 12 6331 1 1 26 ALA HB3 H -1.535 7.229 2.704 1.00 . A A . 25 ALA HB3 1 1 12 6332 1 1 26 ALA N N -0.869 4.011 1.984 1.00 . A A . 25 ALA N 1 1 12 6333 1 1 26 ALA O O -4.065 5.428 1.980 1.00 . A A . 25 ALA O 1 1 12 6334 1 1 27 LYS C C -4.782 3.874 -0.486 1.00 . A A . 26 LYS C 1 1 12 6335 1 1 27 LYS CA C -3.837 5.039 -0.765 1.00 . A A . 26 LYS CA 1 1 12 6336 1 1 27 LYS CB C -3.287 4.946 -2.193 1.00 . A A . 26 LYS CB 1 1 12 6337 1 1 27 LYS CD C -4.968 6.457 -3.330 1.00 . A A . 26 LYS CD 1 1 12 6338 1 1 27 LYS CE C -3.971 7.502 -3.811 1.00 . A A . 26 LYS CE 1 1 12 6339 1 1 27 LYS CG C -4.354 5.063 -3.274 1.00 . A A . 26 LYS CG 1 1 12 6340 1 1 27 LYS H H -1.824 4.904 -0.123 1.00 . A A . 26 LYS H 1 1 12 6341 1 1 27 LYS HA H -4.380 5.964 -0.652 1.00 . A A . 26 LYS HA 1 1 12 6342 1 1 27 LYS HB2 H -2.565 5.734 -2.340 1.00 . A A . 26 LYS HB2 1 1 12 6343 1 1 27 LYS HB3 H -2.791 3.995 -2.312 1.00 . A A . 26 LYS HB3 1 1 12 6344 1 1 27 LYS HD2 H -5.808 6.440 -4.007 1.00 . A A . 26 LYS HD2 1 1 12 6345 1 1 27 LYS HD3 H -5.310 6.728 -2.341 1.00 . A A . 26 LYS HD3 1 1 12 6346 1 1 27 LYS HE2 H -4.458 8.465 -3.827 1.00 . A A . 26 LYS HE2 1 1 12 6347 1 1 27 LYS HE3 H -3.141 7.532 -3.121 1.00 . A A . 26 LYS HE3 1 1 12 6348 1 1 27 LYS HG2 H -3.906 4.847 -4.231 1.00 . A A . 26 LYS HG2 1 1 12 6349 1 1 27 LYS HG3 H -5.135 4.345 -3.072 1.00 . A A . 26 LYS HG3 1 1 12 6350 1 1 27 LYS HZ1 H -2.827 7.961 -5.494 1.00 . A A . 26 LYS HZ1 1 1 12 6351 1 1 27 LYS HZ2 H -4.248 7.113 -5.845 1.00 . A A . 26 LYS HZ2 1 1 12 6352 1 1 27 LYS HZ3 H -2.925 6.305 -5.167 1.00 . A A . 26 LYS HZ3 1 1 12 6353 1 1 27 LYS N N -2.743 5.036 0.197 1.00 . A A . 26 LYS N 1 1 12 6354 1 1 27 LYS NZ N -3.457 7.198 -5.173 1.00 . A A . 26 LYS NZ 1 1 12 6355 1 1 27 LYS O O -6.005 4.007 -0.590 1.00 . A A . 26 LYS O 1 1 12 6356 1 1 28 TYR C C -5.825 1.838 1.475 1.00 . A A . 27 TYR C 1 1 12 6357 1 1 28 TYR CA C -4.955 1.556 0.257 1.00 . A A . 27 TYR CA 1 1 12 6358 1 1 28 TYR CB C -3.999 0.388 0.542 1.00 . A A . 27 TYR CB 1 1 12 6359 1 1 28 TYR CD1 C -5.247 -1.800 0.294 1.00 . A A . 27 TYR CD1 1 1 12 6360 1 1 28 TYR CD2 C -4.702 -1.064 2.494 1.00 . A A . 27 TYR CD2 1 1 12 6361 1 1 28 TYR CE1 C -5.844 -2.929 0.818 1.00 . A A . 27 TYR CE1 1 1 12 6362 1 1 28 TYR CE2 C -5.300 -2.189 3.023 1.00 . A A . 27 TYR CE2 1 1 12 6363 1 1 28 TYR CG C -4.665 -0.847 1.119 1.00 . A A . 27 TYR CG 1 1 12 6364 1 1 28 TYR CZ C -5.869 -3.120 2.182 1.00 . A A . 27 TYR CZ 1 1 12 6365 1 1 28 TYR H H -3.214 2.704 -0.085 1.00 . A A . 27 TYR H 1 1 12 6366 1 1 28 TYR HA H -5.593 1.296 -0.574 1.00 . A A . 27 TYR HA 1 1 12 6367 1 1 28 TYR HB2 H -3.514 0.099 -0.378 1.00 . A A . 27 TYR HB2 1 1 12 6368 1 1 28 TYR HB3 H -3.249 0.718 1.243 1.00 . A A . 27 TYR HB3 1 1 12 6369 1 1 28 TYR HD1 H -5.229 -1.651 -0.775 1.00 . A A . 27 TYR HD1 1 1 12 6370 1 1 28 TYR HD2 H -4.257 -0.334 3.152 1.00 . A A . 27 TYR HD2 1 1 12 6371 1 1 28 TYR HE1 H -6.289 -3.658 0.159 1.00 . A A . 27 TYR HE1 1 1 12 6372 1 1 28 TYR HE2 H -5.317 -2.337 4.093 1.00 . A A . 27 TYR HE2 1 1 12 6373 1 1 28 TYR HH H -7.039 -3.999 3.437 1.00 . A A . 27 TYR HH 1 1 12 6374 1 1 28 TYR N N -4.196 2.742 -0.112 1.00 . A A . 27 TYR N 1 1 12 6375 1 1 28 TYR O O -6.974 1.418 1.529 1.00 . A A . 27 TYR O 1 1 12 6376 1 1 28 TYR OH O -6.460 -4.247 2.706 1.00 . A A . 27 TYR OH 1 1 12 6377 1 1 29 GLN C C -7.224 3.745 3.343 1.00 . A A . 28 GLN C 1 1 12 6378 1 1 29 GLN CA C -5.993 2.909 3.661 1.00 . A A . 28 GLN CA 1 1 12 6379 1 1 29 GLN CB C -5.094 3.684 4.628 1.00 . A A . 28 GLN CB 1 1 12 6380 1 1 29 GLN CD C -3.032 3.694 6.090 1.00 . A A . 28 GLN CD 1 1 12 6381 1 1 29 GLN CG C -3.918 2.879 5.168 1.00 . A A . 28 GLN CG 1 1 12 6382 1 1 29 GLN H H -4.348 2.876 2.327 1.00 . A A . 28 GLN H 1 1 12 6383 1 1 29 GLN HA H -6.307 1.989 4.130 1.00 . A A . 28 GLN HA 1 1 12 6384 1 1 29 GLN HB2 H -4.703 4.552 4.116 1.00 . A A . 28 GLN HB2 1 1 12 6385 1 1 29 GLN HB3 H -5.692 4.014 5.467 1.00 . A A . 28 GLN HB3 1 1 12 6386 1 1 29 GLN HE21 H -3.479 5.353 5.098 1.00 . A A . 28 GLN HE21 1 1 12 6387 1 1 29 GLN HE22 H -2.392 5.542 6.422 1.00 . A A . 28 GLN HE22 1 1 12 6388 1 1 29 GLN HG2 H -4.295 2.029 5.719 1.00 . A A . 28 GLN HG2 1 1 12 6389 1 1 29 GLN HG3 H -3.320 2.531 4.337 1.00 . A A . 28 GLN HG3 1 1 12 6390 1 1 29 GLN N N -5.270 2.565 2.440 1.00 . A A . 28 GLN N 1 1 12 6391 1 1 29 GLN NE2 N -2.962 4.992 5.847 1.00 . A A . 28 GLN NE2 1 1 12 6392 1 1 29 GLN O O -8.285 3.558 3.939 1.00 . A A . 28 GLN O 1 1 12 6393 1 1 29 GLN OE1 O -2.417 3.162 7.015 1.00 . A A . 28 GLN OE1 1 1 12 6394 1 1 30 LYS C C -9.275 4.680 1.340 1.00 . A A . 29 LYS C 1 1 12 6395 1 1 30 LYS CA C -8.179 5.518 1.991 1.00 . A A . 29 LYS CA 1 1 12 6396 1 1 30 LYS CB C -7.689 6.609 1.036 1.00 . A A . 29 LYS CB 1 1 12 6397 1 1 30 LYS CD C -8.244 8.678 -0.292 1.00 . A A . 29 LYS CD 1 1 12 6398 1 1 30 LYS CE C -7.500 9.679 0.581 1.00 . A A . 29 LYS CE 1 1 12 6399 1 1 30 LYS CG C -8.797 7.518 0.523 1.00 . A A . 29 LYS CG 1 1 12 6400 1 1 30 LYS H H -6.193 4.796 1.995 1.00 . A A . 29 LYS H 1 1 12 6401 1 1 30 LYS HA H -8.585 5.984 2.875 1.00 . A A . 29 LYS HA 1 1 12 6402 1 1 30 LYS HB2 H -6.963 7.220 1.551 1.00 . A A . 29 LYS HB2 1 1 12 6403 1 1 30 LYS HB3 H -7.215 6.141 0.185 1.00 . A A . 29 LYS HB3 1 1 12 6404 1 1 30 LYS HD2 H -7.563 8.291 -1.035 1.00 . A A . 29 LYS HD2 1 1 12 6405 1 1 30 LYS HD3 H -9.063 9.183 -0.782 1.00 . A A . 29 LYS HD3 1 1 12 6406 1 1 30 LYS HE2 H -6.709 9.166 1.104 1.00 . A A . 29 LYS HE2 1 1 12 6407 1 1 30 LYS HE3 H -7.074 10.442 -0.053 1.00 . A A . 29 LYS HE3 1 1 12 6408 1 1 30 LYS HG2 H -9.463 6.941 -0.100 1.00 . A A . 29 LYS HG2 1 1 12 6409 1 1 30 LYS HG3 H -9.343 7.913 1.367 1.00 . A A . 29 LYS HG3 1 1 12 6410 1 1 30 LYS HZ1 H -9.192 10.790 1.088 1.00 . A A . 29 LYS HZ1 1 1 12 6411 1 1 30 LYS HZ2 H -7.876 11.036 2.121 1.00 . A A . 29 LYS HZ2 1 1 12 6412 1 1 30 LYS HZ3 H -8.780 9.612 2.231 1.00 . A A . 29 LYS HZ3 1 1 12 6413 1 1 30 LYS N N -7.073 4.674 2.409 1.00 . A A . 29 LYS N 1 1 12 6414 1 1 30 LYS NZ N -8.399 10.323 1.575 1.00 . A A . 29 LYS NZ 1 1 12 6415 1 1 30 LYS O O -10.448 4.797 1.694 1.00 . A A . 29 LYS O 1 1 12 6416 1 1 31 ASP C C -10.435 1.944 0.735 1.00 . A A . 30 ASP C 1 1 12 6417 1 1 31 ASP CA C -9.844 2.935 -0.259 1.00 . A A . 30 ASP CA 1 1 12 6418 1 1 31 ASP CB C -9.201 2.178 -1.423 1.00 . A A . 30 ASP CB 1 1 12 6419 1 1 31 ASP CG C -8.922 3.066 -2.618 1.00 . A A . 30 ASP CG 1 1 12 6420 1 1 31 ASP H H -7.938 3.779 0.152 1.00 . A A . 30 ASP H 1 1 12 6421 1 1 31 ASP HA H -10.640 3.551 -0.643 1.00 . A A . 30 ASP HA 1 1 12 6422 1 1 31 ASP HB2 H -8.264 1.749 -1.092 1.00 . A A . 30 ASP HB2 1 1 12 6423 1 1 31 ASP HB3 H -9.867 1.387 -1.735 1.00 . A A . 30 ASP HB3 1 1 12 6424 1 1 31 ASP N N -8.887 3.821 0.402 1.00 . A A . 30 ASP N 1 1 12 6425 1 1 31 ASP O O -11.584 1.532 0.610 1.00 . A A . 30 ASP O 1 1 12 6426 1 1 31 ASP OD1 O -7.878 2.875 -3.278 1.00 . A A . 30 ASP OD1 1 1 12 6427 1 1 31 ASP OD2 O -9.738 3.971 -2.898 1.00 . A A . 30 ASP OD2 1 1 12 6428 1 1 32 LEU C C -11.170 1.282 3.597 1.00 . A A . 31 LEU C 1 1 12 6429 1 1 32 LEU CA C -10.056 0.652 2.773 1.00 . A A . 31 LEU CA 1 1 12 6430 1 1 32 LEU CB C -8.864 0.306 3.671 1.00 . A A . 31 LEU CB 1 1 12 6431 1 1 32 LEU CD1 C -9.338 -2.128 4.055 1.00 . A A . 31 LEU CD1 1 1 12 6432 1 1 32 LEU CD2 C -7.931 -0.843 5.673 1.00 . A A . 31 LEU CD2 1 1 12 6433 1 1 32 LEU CG C -9.107 -0.778 4.716 1.00 . A A . 31 LEU CG 1 1 12 6434 1 1 32 LEU H H -8.707 1.900 1.724 1.00 . A A . 31 LEU H 1 1 12 6435 1 1 32 LEU HA H -10.430 -0.249 2.311 1.00 . A A . 31 LEU HA 1 1 12 6436 1 1 32 LEU HB2 H -8.047 -0.013 3.039 1.00 . A A . 31 LEU HB2 1 1 12 6437 1 1 32 LEU HB3 H -8.561 1.205 4.190 1.00 . A A . 31 LEU HB3 1 1 12 6438 1 1 32 LEU HD11 H -10.235 -2.089 3.457 1.00 . A A . 31 LEU HD11 1 1 12 6439 1 1 32 LEU HD12 H -9.445 -2.886 4.815 1.00 . A A . 31 LEU HD12 1 1 12 6440 1 1 32 LEU HD13 H -8.495 -2.370 3.423 1.00 . A A . 31 LEU HD13 1 1 12 6441 1 1 32 LEU HD21 H -8.109 -1.608 6.413 1.00 . A A . 31 LEU HD21 1 1 12 6442 1 1 32 LEU HD22 H -7.816 0.113 6.163 1.00 . A A . 31 LEU HD22 1 1 12 6443 1 1 32 LEU HD23 H -7.031 -1.074 5.121 1.00 . A A . 31 LEU HD23 1 1 12 6444 1 1 32 LEU HG H -9.990 -0.530 5.286 1.00 . A A . 31 LEU HG 1 1 12 6445 1 1 32 LEU N N -9.630 1.563 1.716 1.00 . A A . 31 LEU N 1 1 12 6446 1 1 32 LEU O O -12.194 0.650 3.866 1.00 . A A . 31 LEU O 1 1 12 6447 1 1 33 ALA C C -13.205 3.482 3.872 1.00 . A A . 32 ALA C 1 1 12 6448 1 1 33 ALA CA C -11.964 3.284 4.725 1.00 . A A . 32 ALA CA 1 1 12 6449 1 1 33 ALA CB C -11.404 4.627 5.149 1.00 . A A . 32 ALA CB 1 1 12 6450 1 1 33 ALA H H -10.101 2.958 3.787 1.00 . A A . 32 ALA H 1 1 12 6451 1 1 33 ALA HA H -12.225 2.727 5.610 1.00 . A A . 32 ALA HA 1 1 12 6452 1 1 33 ALA HB1 H -10.504 4.475 5.723 1.00 . A A . 32 ALA HB1 1 1 12 6453 1 1 33 ALA HB2 H -12.134 5.146 5.750 1.00 . A A . 32 ALA HB2 1 1 12 6454 1 1 33 ALA HB3 H -11.178 5.213 4.270 1.00 . A A . 32 ALA HB3 1 1 12 6455 1 1 33 ALA N N -10.961 2.530 3.993 1.00 . A A . 32 ALA N 1 1 12 6456 1 1 33 ALA O O -14.331 3.326 4.339 1.00 . A A . 32 ALA O 1 1 12 6457 1 1 34 ASP C C -14.871 2.758 1.466 1.00 . A A . 33 ASP C 1 1 12 6458 1 1 34 ASP CA C -14.057 4.034 1.656 1.00 . A A . 33 ASP CA 1 1 12 6459 1 1 34 ASP CB C -13.476 4.500 0.317 1.00 . A A . 33 ASP CB 1 1 12 6460 1 1 34 ASP CG C -14.535 4.761 -0.732 1.00 . A A . 33 ASP CG 1 1 12 6461 1 1 34 ASP H H -12.048 3.941 2.315 1.00 . A A . 33 ASP H 1 1 12 6462 1 1 34 ASP HA H -14.699 4.804 2.051 1.00 . A A . 33 ASP HA 1 1 12 6463 1 1 34 ASP HB2 H -12.922 5.414 0.472 1.00 . A A . 33 ASP HB2 1 1 12 6464 1 1 34 ASP HB3 H -12.807 3.740 -0.058 1.00 . A A . 33 ASP HB3 1 1 12 6465 1 1 34 ASP N N -12.978 3.821 2.612 1.00 . A A . 33 ASP N 1 1 12 6466 1 1 34 ASP O O -16.094 2.797 1.317 1.00 . A A . 33 ASP O 1 1 12 6467 1 1 34 ASP OD1 O -14.759 3.882 -1.589 1.00 . A A . 33 ASP OD1 1 1 12 6468 1 1 34 ASP OD2 O -15.130 5.858 -0.721 1.00 . A A . 33 ASP OD2 1 1 12 6469 1 1 35 TYR C C -15.741 0.018 2.488 1.00 . A A . 34 TYR C 1 1 12 6470 1 1 35 TYR CA C -14.803 0.322 1.323 1.00 . A A . 34 TYR CA 1 1 12 6471 1 1 35 TYR CB C -13.718 -0.753 1.219 1.00 . A A . 34 TYR CB 1 1 12 6472 1 1 35 TYR CD1 C -14.751 -2.461 -0.328 1.00 . A A . 34 TYR CD1 1 1 12 6473 1 1 35 TYR CD2 C -14.216 -3.127 1.895 1.00 . A A . 34 TYR CD2 1 1 12 6474 1 1 35 TYR CE1 C -15.234 -3.726 -0.594 1.00 . A A . 34 TYR CE1 1 1 12 6475 1 1 35 TYR CE2 C -14.695 -4.394 1.637 1.00 . A A . 34 TYR CE2 1 1 12 6476 1 1 35 TYR CG C -14.235 -2.141 0.921 1.00 . A A . 34 TYR CG 1 1 12 6477 1 1 35 TYR CZ C -15.169 -4.695 0.355 1.00 . A A . 34 TYR CZ 1 1 12 6478 1 1 35 TYR H H -13.205 1.674 1.623 1.00 . A A . 34 TYR H 1 1 12 6479 1 1 35 TYR HA H -15.373 0.337 0.407 1.00 . A A . 34 TYR HA 1 1 12 6480 1 1 35 TYR HB2 H -13.034 -0.484 0.429 1.00 . A A . 34 TYR HB2 1 1 12 6481 1 1 35 TYR HB3 H -13.177 -0.794 2.154 1.00 . A A . 34 TYR HB3 1 1 12 6482 1 1 35 TYR HD1 H -14.774 -1.704 -1.097 1.00 . A A . 34 TYR HD1 1 1 12 6483 1 1 35 TYR HD2 H -13.819 -2.893 2.870 1.00 . A A . 34 TYR HD2 1 1 12 6484 1 1 35 TYR HE1 H -15.630 -3.955 -1.572 1.00 . A A . 34 TYR HE1 1 1 12 6485 1 1 35 TYR HE2 H -14.672 -5.146 2.410 1.00 . A A . 34 TYR HE2 1 1 12 6486 1 1 35 TYR HH H -15.374 -6.245 -0.730 1.00 . A A . 34 TYR HH 1 1 12 6487 1 1 35 TYR N N -14.178 1.627 1.490 1.00 . A A . 34 TYR N 1 1 12 6488 1 1 35 TYR O O -16.853 -0.477 2.294 1.00 . A A . 34 TYR O 1 1 12 6489 1 1 35 TYR OH O -15.690 -5.950 0.132 1.00 . A A . 34 TYR OH 1 1 12 6490 1 1 36 NH2 HN1 H -14.401 0.725 3.771 1.00 . A A . 35 NH2 HN1 1 1 12 6491 1 1 36 NH2 HN2 H -15.871 0.139 4.465 1.00 . A A . 35 NH2 HN2 1 1 12 6492 1 1 36 NH2 N N -15.294 0.325 3.696 1.00 . A A . 35 NH2 N 1 1 13 6493 1 1 1 ACE C C -13.838 -4.033 -3.677 1.00 . A A . 0 ACE C 1 1 13 6494 1 1 1 ACE CH3 C -14.432 -2.704 -3.303 1.00 . A A . 0 ACE CH3 1 1 13 6495 1 1 1 ACE H1 H -15.268 -2.876 -2.634 1.00 . A A . 0 ACE H1 1 1 13 6496 1 1 1 ACE H2 H -14.778 -2.207 -4.188 1.00 . A A . 0 ACE H2 1 1 13 6497 1 1 1 ACE H3 H -13.666 -2.104 -2.824 1.00 . A A . 0 ACE H3 1 1 13 6498 1 1 1 ACE O O -13.596 -4.307 -4.853 1.00 . A A . 0 ACE O 1 1 13 6499 1 1 2 PRO C C -11.198 -4.375 -2.248 1.00 . A A . 1 PRO C 1 1 13 6500 1 1 2 PRO CA C -12.578 -4.643 -1.649 1.00 . A A . 1 PRO CA 1 1 13 6501 1 1 2 PRO CB C -12.567 -5.942 -0.827 1.00 . A A . 1 PRO CB 1 1 13 6502 1 1 2 PRO CD C -14.268 -6.176 -2.486 1.00 . A A . 1 PRO CD 1 1 13 6503 1 1 2 PRO CG C -13.278 -6.951 -1.662 1.00 . A A . 1 PRO CG 1 1 13 6504 1 1 2 PRO HA H -12.860 -3.815 -1.015 1.00 . A A . 1 PRO HA 1 1 13 6505 1 1 2 PRO HB2 H -11.546 -6.248 -0.638 1.00 . A A . 1 PRO HB2 1 1 13 6506 1 1 2 PRO HB3 H -13.092 -5.798 0.104 1.00 . A A . 1 PRO HB3 1 1 13 6507 1 1 2 PRO HD2 H -14.449 -6.666 -3.432 1.00 . A A . 1 PRO HD2 1 1 13 6508 1 1 2 PRO HD3 H -15.194 -6.040 -1.945 1.00 . A A . 1 PRO HD3 1 1 13 6509 1 1 2 PRO HG2 H -12.568 -7.460 -2.299 1.00 . A A . 1 PRO HG2 1 1 13 6510 1 1 2 PRO HG3 H -13.794 -7.658 -1.030 1.00 . A A . 1 PRO HG3 1 1 13 6511 1 1 2 PRO N N -13.585 -4.893 -2.684 1.00 . A A . 1 PRO N 1 1 13 6512 1 1 2 PRO O O -10.781 -5.050 -3.191 1.00 . A A . 1 PRO O 1 1 13 6513 1 1 3 PRO C C -8.131 -4.133 -2.017 1.00 . A A . 2 PRO C 1 1 13 6514 1 1 3 PRO CA C -9.148 -3.013 -2.212 1.00 . A A . 2 PRO CA 1 1 13 6515 1 1 3 PRO CB C -8.762 -1.795 -1.369 1.00 . A A . 2 PRO CB 1 1 13 6516 1 1 3 PRO CD C -10.908 -2.510 -0.601 1.00 . A A . 2 PRO CD 1 1 13 6517 1 1 3 PRO CG C -9.625 -1.860 -0.159 1.00 . A A . 2 PRO CG 1 1 13 6518 1 1 3 PRO HA H -9.179 -2.736 -3.256 1.00 . A A . 2 PRO HA 1 1 13 6519 1 1 3 PRO HB2 H -7.712 -1.854 -1.099 1.00 . A A . 2 PRO HB2 1 1 13 6520 1 1 3 PRO HB3 H -8.958 -0.888 -1.917 1.00 . A A . 2 PRO HB3 1 1 13 6521 1 1 3 PRO HD2 H -11.334 -3.096 0.200 1.00 . A A . 2 PRO HD2 1 1 13 6522 1 1 3 PRO HD3 H -11.613 -1.766 -0.941 1.00 . A A . 2 PRO HD3 1 1 13 6523 1 1 3 PRO HG2 H -9.139 -2.455 0.603 1.00 . A A . 2 PRO HG2 1 1 13 6524 1 1 3 PRO HG3 H -9.820 -0.864 0.206 1.00 . A A . 2 PRO HG3 1 1 13 6525 1 1 3 PRO N N -10.481 -3.373 -1.718 1.00 . A A . 2 PRO N 1 1 13 6526 1 1 3 PRO O O -8.176 -4.864 -1.026 1.00 . A A . 2 PRO O 1 1 13 6527 1 1 4 THR C C -4.953 -4.690 -2.189 1.00 . A A . 3 THR C 1 1 13 6528 1 1 4 THR CA C -6.179 -5.259 -2.891 1.00 . A A . 3 THR CA 1 1 13 6529 1 1 4 THR CB C -5.802 -5.758 -4.298 1.00 . A A . 3 THR CB 1 1 13 6530 1 1 4 THR CG2 C -4.690 -6.793 -4.238 1.00 . A A . 3 THR CG2 1 1 13 6531 1 1 4 THR H H -7.251 -3.663 -3.743 1.00 . A A . 3 THR H 1 1 13 6532 1 1 4 THR HA H -6.553 -6.095 -2.322 1.00 . A A . 3 THR HA 1 1 13 6533 1 1 4 THR HB H -5.462 -4.916 -4.880 1.00 . A A . 3 THR HB 1 1 13 6534 1 1 4 THR HG1 H -7.669 -6.401 -4.276 1.00 . A A . 3 THR HG1 1 1 13 6535 1 1 4 THR HG21 H -3.810 -6.347 -3.799 1.00 . A A . 3 THR HG21 1 1 13 6536 1 1 4 THR HG22 H -4.462 -7.134 -5.235 1.00 . A A . 3 THR HG22 1 1 13 6537 1 1 4 THR HG23 H -5.009 -7.628 -3.634 1.00 . A A . 3 THR HG23 1 1 13 6538 1 1 4 THR N N -7.223 -4.262 -2.967 1.00 . A A . 3 THR N 1 1 13 6539 1 1 4 THR O O -4.557 -3.548 -2.440 1.00 . A A . 3 THR O 1 1 13 6540 1 1 4 THR OG1 O -6.959 -6.328 -4.928 1.00 . A A . 3 THR OG1 1 1 13 6541 1 1 5 LYS C C -2.066 -4.693 -1.513 1.00 . A A . 4 LYS C 1 1 13 6542 1 1 5 LYS CA C -3.185 -5.091 -0.555 1.00 . A A . 4 LYS CA 1 1 13 6543 1 1 5 LYS CB C -2.714 -6.248 0.326 1.00 . A A . 4 LYS CB 1 1 13 6544 1 1 5 LYS CD C -3.259 -7.910 2.130 1.00 . A A . 4 LYS CD 1 1 13 6545 1 1 5 LYS CE C -3.139 -9.125 1.220 1.00 . A A . 4 LYS CE 1 1 13 6546 1 1 5 LYS CG C -3.729 -6.680 1.370 1.00 . A A . 4 LYS CG 1 1 13 6547 1 1 5 LYS H H -4.765 -6.375 -1.135 1.00 . A A . 4 LYS H 1 1 13 6548 1 1 5 LYS HA H -3.440 -4.248 0.069 1.00 . A A . 4 LYS HA 1 1 13 6549 1 1 5 LYS HB2 H -2.502 -7.096 -0.308 1.00 . A A . 4 LYS HB2 1 1 13 6550 1 1 5 LYS HB3 H -1.807 -5.952 0.836 1.00 . A A . 4 LYS HB3 1 1 13 6551 1 1 5 LYS HD2 H -2.293 -7.702 2.567 1.00 . A A . 4 LYS HD2 1 1 13 6552 1 1 5 LYS HD3 H -3.969 -8.128 2.914 1.00 . A A . 4 LYS HD3 1 1 13 6553 1 1 5 LYS HE2 H -4.123 -9.390 0.866 1.00 . A A . 4 LYS HE2 1 1 13 6554 1 1 5 LYS HE3 H -2.511 -8.871 0.380 1.00 . A A . 4 LYS HE3 1 1 13 6555 1 1 5 LYS HG2 H -3.874 -5.873 2.071 1.00 . A A . 4 LYS HG2 1 1 13 6556 1 1 5 LYS HG3 H -4.663 -6.904 0.878 1.00 . A A . 4 LYS HG3 1 1 13 6557 1 1 5 LYS HZ1 H -2.494 -11.107 1.279 1.00 . A A . 4 LYS HZ1 1 1 13 6558 1 1 5 LYS HZ2 H -3.140 -10.559 2.740 1.00 . A A . 4 LYS HZ2 1 1 13 6559 1 1 5 LYS HZ3 H -1.596 -10.067 2.260 1.00 . A A . 4 LYS HZ3 1 1 13 6560 1 1 5 LYS N N -4.376 -5.486 -1.296 1.00 . A A . 4 LYS N 1 1 13 6561 1 1 5 LYS NZ N -2.551 -10.295 1.924 1.00 . A A . 4 LYS NZ 1 1 13 6562 1 1 5 LYS O O -1.972 -5.239 -2.616 1.00 . A A . 4 LYS O 1 1 13 6563 1 1 6 PRO C C 0.789 -4.417 -2.428 1.00 . A A . 5 PRO C 1 1 13 6564 1 1 6 PRO CA C -0.097 -3.270 -1.949 1.00 . A A . 5 PRO CA 1 1 13 6565 1 1 6 PRO CB C 0.697 -2.339 -1.023 1.00 . A A . 5 PRO CB 1 1 13 6566 1 1 6 PRO CD C -1.282 -2.986 0.149 1.00 . A A . 5 PRO CD 1 1 13 6567 1 1 6 PRO CG C 0.143 -2.552 0.344 1.00 . A A . 5 PRO CG 1 1 13 6568 1 1 6 PRO HA H -0.447 -2.714 -2.806 1.00 . A A . 5 PRO HA 1 1 13 6569 1 1 6 PRO HB2 H 1.747 -2.600 -1.060 1.00 . A A . 5 PRO HB2 1 1 13 6570 1 1 6 PRO HB3 H 0.555 -1.311 -1.325 1.00 . A A . 5 PRO HB3 1 1 13 6571 1 1 6 PRO HD2 H -1.600 -3.627 0.961 1.00 . A A . 5 PRO HD2 1 1 13 6572 1 1 6 PRO HD3 H -1.934 -2.126 0.061 1.00 . A A . 5 PRO HD3 1 1 13 6573 1 1 6 PRO HG2 H 0.712 -3.323 0.852 1.00 . A A . 5 PRO HG2 1 1 13 6574 1 1 6 PRO HG3 H 0.176 -1.628 0.899 1.00 . A A . 5 PRO HG3 1 1 13 6575 1 1 6 PRO N N -1.218 -3.726 -1.121 1.00 . A A . 5 PRO N 1 1 13 6576 1 1 6 PRO O O 1.296 -5.211 -1.629 1.00 . A A . 5 PRO O 1 1 13 6577 1 1 7 THR C C 3.273 -5.116 -4.248 1.00 . A A . 6 THR C 1 1 13 6578 1 1 7 THR CA C 1.800 -5.506 -4.356 1.00 . A A . 6 THR CA 1 1 13 6579 1 1 7 THR CB C 1.415 -5.687 -5.835 1.00 . A A . 6 THR CB 1 1 13 6580 1 1 7 THR CG2 C 2.060 -6.931 -6.423 1.00 . A A . 6 THR CG2 1 1 13 6581 1 1 7 THR H H 0.511 -3.839 -4.314 1.00 . A A . 6 THR H 1 1 13 6582 1 1 7 THR HA H 1.639 -6.439 -3.842 1.00 . A A . 6 THR HA 1 1 13 6583 1 1 7 THR HB H 1.755 -4.825 -6.386 1.00 . A A . 6 THR HB 1 1 13 6584 1 1 7 THR HG1 H -0.350 -6.367 -5.261 1.00 . A A . 6 THR HG1 1 1 13 6585 1 1 7 THR HG21 H 3.134 -6.843 -6.356 1.00 . A A . 6 THR HG21 1 1 13 6586 1 1 7 THR HG22 H 1.770 -7.031 -7.459 1.00 . A A . 6 THR HG22 1 1 13 6587 1 1 7 THR HG23 H 1.734 -7.800 -5.871 1.00 . A A . 6 THR HG23 1 1 13 6588 1 1 7 THR N N 0.965 -4.491 -3.739 1.00 . A A . 6 THR N 1 1 13 6589 1 1 7 THR O O 4.168 -5.950 -4.387 1.00 . A A . 6 THR O 1 1 13 6590 1 1 7 THR OG1 O -0.011 -5.788 -5.955 1.00 . A A . 6 THR OG1 1 1 13 6591 1 1 8 LYS C C 5.543 -3.938 -2.612 1.00 . A A . 7 LYS C 1 1 13 6592 1 1 8 LYS CA C 4.857 -3.311 -3.826 1.00 . A A . 7 LYS CA 1 1 13 6593 1 1 8 LYS CB C 4.820 -1.784 -3.680 1.00 . A A . 7 LYS CB 1 1 13 6594 1 1 8 LYS CD C 4.121 0.434 -4.642 1.00 . A A . 7 LYS CD 1 1 13 6595 1 1 8 LYS CE C 3.574 1.168 -5.860 1.00 . A A . 7 LYS CE 1 1 13 6596 1 1 8 LYS CG C 4.254 -1.063 -4.896 1.00 . A A . 7 LYS CG 1 1 13 6597 1 1 8 LYS H H 2.745 -3.226 -3.900 1.00 . A A . 7 LYS H 1 1 13 6598 1 1 8 LYS HA H 5.417 -3.567 -4.711 1.00 . A A . 7 LYS HA 1 1 13 6599 1 1 8 LYS HB2 H 4.213 -1.532 -2.825 1.00 . A A . 7 LYS HB2 1 1 13 6600 1 1 8 LYS HB3 H 5.826 -1.426 -3.511 1.00 . A A . 7 LYS HB3 1 1 13 6601 1 1 8 LYS HD2 H 3.448 0.590 -3.811 1.00 . A A . 7 LYS HD2 1 1 13 6602 1 1 8 LYS HD3 H 5.094 0.836 -4.398 1.00 . A A . 7 LYS HD3 1 1 13 6603 1 1 8 LYS HE2 H 3.506 2.221 -5.628 1.00 . A A . 7 LYS HE2 1 1 13 6604 1 1 8 LYS HE3 H 4.255 1.029 -6.686 1.00 . A A . 7 LYS HE3 1 1 13 6605 1 1 8 LYS HG2 H 4.917 -1.218 -5.737 1.00 . A A . 7 LYS HG2 1 1 13 6606 1 1 8 LYS HG3 H 3.280 -1.472 -5.123 1.00 . A A . 7 LYS HG3 1 1 13 6607 1 1 8 LYS HZ1 H 1.911 1.160 -7.123 1.00 . A A . 7 LYS HZ1 1 1 13 6608 1 1 8 LYS HZ2 H 1.532 0.867 -5.499 1.00 . A A . 7 LYS HZ2 1 1 13 6609 1 1 8 LYS HZ3 H 2.255 -0.346 -6.436 1.00 . A A . 7 LYS HZ3 1 1 13 6610 1 1 8 LYS N N 3.506 -3.835 -3.986 1.00 . A A . 7 LYS N 1 1 13 6611 1 1 8 LYS NZ N 2.227 0.678 -6.256 1.00 . A A . 7 LYS NZ 1 1 13 6612 1 1 8 LYS O O 4.884 -4.299 -1.635 1.00 . A A . 7 LYS O 1 1 13 6613 1 1 9 PRO C C 7.649 -3.737 -0.341 1.00 . A A . 8 PRO C 1 1 13 6614 1 1 9 PRO CA C 7.655 -4.651 -1.562 1.00 . A A . 8 PRO CA 1 1 13 6615 1 1 9 PRO CB C 9.070 -4.762 -2.137 1.00 . A A . 8 PRO CB 1 1 13 6616 1 1 9 PRO CD C 7.719 -3.765 -3.831 1.00 . A A . 8 PRO CD 1 1 13 6617 1 1 9 PRO CG C 9.111 -3.792 -3.263 1.00 . A A . 8 PRO CG 1 1 13 6618 1 1 9 PRO HA H 7.301 -5.630 -1.278 1.00 . A A . 8 PRO HA 1 1 13 6619 1 1 9 PRO HB2 H 9.795 -4.503 -1.377 1.00 . A A . 8 PRO HB2 1 1 13 6620 1 1 9 PRO HB3 H 9.248 -5.760 -2.499 1.00 . A A . 8 PRO HB3 1 1 13 6621 1 1 9 PRO HD2 H 7.480 -2.779 -4.210 1.00 . A A . 8 PRO HD2 1 1 13 6622 1 1 9 PRO HD3 H 7.610 -4.508 -4.610 1.00 . A A . 8 PRO HD3 1 1 13 6623 1 1 9 PRO HG2 H 9.390 -2.817 -2.889 1.00 . A A . 8 PRO HG2 1 1 13 6624 1 1 9 PRO HG3 H 9.813 -4.124 -4.012 1.00 . A A . 8 PRO HG3 1 1 13 6625 1 1 9 PRO N N 6.873 -4.098 -2.672 1.00 . A A . 8 PRO N 1 1 13 6626 1 1 9 PRO O O 7.854 -2.528 -0.456 1.00 . A A . 8 PRO O 1 1 13 6627 1 1 10 GLY C C 7.927 -4.239 3.241 1.00 . A A . 9 GLY C 1 1 13 6628 1 1 10 GLY CA C 7.348 -3.531 2.038 1.00 . A A . 9 GLY CA 1 1 13 6629 1 1 10 GLY H H 7.299 -5.291 0.865 1.00 . A A . 9 GLY H 1 1 13 6630 1 1 10 GLY HA2 H 7.889 -2.611 1.885 1.00 . A A . 9 GLY HA2 1 1 13 6631 1 1 10 GLY HA3 H 6.314 -3.297 2.236 1.00 . A A . 9 GLY HA3 1 1 13 6632 1 1 10 GLY N N 7.422 -4.319 0.828 1.00 . A A . 9 GLY N 1 1 13 6633 1 1 10 GLY O O 7.561 -3.941 4.378 1.00 . A A . 9 GLY O 1 1 13 6634 1 1 11 ASP C C 10.954 -5.640 4.117 1.00 . A A . 10 ASP C 1 1 13 6635 1 1 11 ASP CA C 9.461 -5.919 4.080 1.00 . A A . 10 ASP CA 1 1 13 6636 1 1 11 ASP CB C 9.228 -7.426 3.930 1.00 . A A . 10 ASP CB 1 1 13 6637 1 1 11 ASP CG C 7.763 -7.796 3.860 1.00 . A A . 10 ASP CG 1 1 13 6638 1 1 11 ASP H H 9.075 -5.374 2.069 1.00 . A A . 10 ASP H 1 1 13 6639 1 1 11 ASP HA H 9.023 -5.588 5.006 1.00 . A A . 10 ASP HA 1 1 13 6640 1 1 11 ASP HB2 H 9.706 -7.767 3.024 1.00 . A A . 10 ASP HB2 1 1 13 6641 1 1 11 ASP HB3 H 9.669 -7.936 4.775 1.00 . A A . 10 ASP HB3 1 1 13 6642 1 1 11 ASP N N 8.829 -5.176 2.996 1.00 . A A . 10 ASP N 1 1 13 6643 1 1 11 ASP O O 11.430 -4.847 4.926 1.00 . A A . 10 ASP O 1 1 13 6644 1 1 11 ASP OD1 O 7.063 -7.680 4.889 1.00 . A A . 10 ASP OD1 1 1 13 6645 1 1 11 ASP OD2 O 7.307 -8.220 2.778 1.00 . A A . 10 ASP OD2 1 1 13 6646 1 1 12 ASN C C 13.566 -5.169 2.088 1.00 . A A . 11 ASN C 1 1 13 6647 1 1 12 ASN CA C 13.136 -6.158 3.161 1.00 . A A . 11 ASN CA 1 1 13 6648 1 1 12 ASN CB C 13.773 -7.524 2.889 1.00 . A A . 11 ASN CB 1 1 13 6649 1 1 12 ASN CG C 13.221 -8.193 1.643 1.00 . A A . 11 ASN CG 1 1 13 6650 1 1 12 ASN H H 11.226 -6.845 2.555 1.00 . A A . 11 ASN H 1 1 13 6651 1 1 12 ASN HA H 13.470 -5.798 4.120 1.00 . A A . 11 ASN HA 1 1 13 6652 1 1 12 ASN HB2 H 14.836 -7.394 2.760 1.00 . A A . 11 ASN HB2 1 1 13 6653 1 1 12 ASN HB3 H 13.594 -8.170 3.734 1.00 . A A . 11 ASN HB3 1 1 13 6654 1 1 12 ASN HD21 H 11.887 -9.190 2.731 1.00 . A A . 11 ASN HD21 1 1 13 6655 1 1 12 ASN HD22 H 11.839 -9.484 1.027 1.00 . A A . 11 ASN HD22 1 1 13 6656 1 1 12 ASN N N 11.680 -6.276 3.212 1.00 . A A . 11 ASN N 1 1 13 6657 1 1 12 ASN ND2 N 12.216 -9.039 1.817 1.00 . A A . 11 ASN ND2 1 1 13 6658 1 1 12 ASN O O 14.725 -5.148 1.670 1.00 . A A . 11 ASN O 1 1 13 6659 1 1 12 ASN OD1 O 13.701 -7.963 0.533 1.00 . A A . 11 ASN OD1 1 1 13 6660 1 1 13 ALA C C 13.735 -2.219 1.110 1.00 . A A . 12 ALA C 1 1 13 6661 1 1 13 ALA CA C 12.873 -3.370 0.614 1.00 . A A . 12 ALA CA 1 1 13 6662 1 1 13 ALA CB C 11.552 -2.849 0.080 1.00 . A A . 12 ALA CB 1 1 13 6663 1 1 13 ALA H H 11.745 -4.382 2.074 1.00 . A A . 12 ALA H 1 1 13 6664 1 1 13 ALA HA H 13.387 -3.869 -0.192 1.00 . A A . 12 ALA HA 1 1 13 6665 1 1 13 ALA HB1 H 10.863 -3.671 -0.031 1.00 . A A . 12 ALA HB1 1 1 13 6666 1 1 13 ALA HB2 H 11.712 -2.384 -0.881 1.00 . A A . 12 ALA HB2 1 1 13 6667 1 1 13 ALA HB3 H 11.143 -2.124 0.770 1.00 . A A . 12 ALA HB3 1 1 13 6668 1 1 13 ALA N N 12.629 -4.341 1.665 1.00 . A A . 12 ALA N 1 1 13 6669 1 1 13 ALA O O 13.863 -1.997 2.315 1.00 . A A . 12 ALA O 1 1 13 6670 1 1 14 THR C C 14.258 0.776 1.059 1.00 . A A . 13 THR C 1 1 13 6671 1 1 14 THR CA C 15.132 -0.335 0.485 1.00 . A A . 13 THR CA 1 1 13 6672 1 1 14 THR CB C 15.864 0.165 -0.774 1.00 . A A . 13 THR CB 1 1 13 6673 1 1 14 THR CG2 C 16.945 -0.819 -1.182 1.00 . A A . 13 THR CG2 1 1 13 6674 1 1 14 THR H H 14.218 -1.763 -0.765 1.00 . A A . 13 THR H 1 1 13 6675 1 1 14 THR HA H 15.869 -0.616 1.220 1.00 . A A . 13 THR HA 1 1 13 6676 1 1 14 THR HB H 16.325 1.112 -0.553 1.00 . A A . 13 THR HB 1 1 13 6677 1 1 14 THR HG1 H 15.325 0.908 -2.527 1.00 . A A . 13 THR HG1 1 1 13 6678 1 1 14 THR HG21 H 16.495 -1.781 -1.385 1.00 . A A . 13 THR HG21 1 1 13 6679 1 1 14 THR HG22 H 17.661 -0.918 -0.380 1.00 . A A . 13 THR HG22 1 1 13 6680 1 1 14 THR HG23 H 17.443 -0.458 -2.070 1.00 . A A . 13 THR HG23 1 1 13 6681 1 1 14 THR N N 14.328 -1.502 0.171 1.00 . A A . 13 THR N 1 1 13 6682 1 1 14 THR O O 13.059 0.822 0.789 1.00 . A A . 13 THR O 1 1 13 6683 1 1 14 THR OG1 O 14.934 0.333 -1.854 1.00 . A A . 13 THR OG1 1 1 13 6684 1 1 15 PRO C C 13.340 3.618 1.482 1.00 . A A . 14 PRO C 1 1 13 6685 1 1 15 PRO CA C 14.092 2.770 2.503 1.00 . A A . 14 PRO CA 1 1 13 6686 1 1 15 PRO CB C 15.174 3.600 3.210 1.00 . A A . 14 PRO CB 1 1 13 6687 1 1 15 PRO CD C 16.260 1.706 2.244 1.00 . A A . 14 PRO CD 1 1 13 6688 1 1 15 PRO CG C 16.470 3.140 2.651 1.00 . A A . 14 PRO CG 1 1 13 6689 1 1 15 PRO HA H 13.391 2.393 3.231 1.00 . A A . 14 PRO HA 1 1 13 6690 1 1 15 PRO HB2 H 15.021 4.650 3.008 1.00 . A A . 14 PRO HB2 1 1 13 6691 1 1 15 PRO HB3 H 15.149 3.415 4.271 1.00 . A A . 14 PRO HB3 1 1 13 6692 1 1 15 PRO HD2 H 16.887 1.454 1.403 1.00 . A A . 14 PRO HD2 1 1 13 6693 1 1 15 PRO HD3 H 16.453 1.041 3.072 1.00 . A A . 14 PRO HD3 1 1 13 6694 1 1 15 PRO HG2 H 16.730 3.752 1.792 1.00 . A A . 14 PRO HG2 1 1 13 6695 1 1 15 PRO HG3 H 17.238 3.200 3.407 1.00 . A A . 14 PRO HG3 1 1 13 6696 1 1 15 PRO N N 14.838 1.678 1.871 1.00 . A A . 14 PRO N 1 1 13 6697 1 1 15 PRO O O 12.210 4.042 1.724 1.00 . A A . 14 PRO O 1 1 13 6698 1 1 16 GLU C C 12.122 3.877 -1.272 1.00 . A A . 15 GLU C 1 1 13 6699 1 1 16 GLU CA C 13.343 4.613 -0.732 1.00 . A A . 15 GLU CA 1 1 13 6700 1 1 16 GLU CB C 14.340 4.870 -1.858 1.00 . A A . 15 GLU CB 1 1 13 6701 1 1 16 GLU CD C 14.755 5.886 -4.124 1.00 . A A . 15 GLU CD 1 1 13 6702 1 1 16 GLU CG C 13.764 5.684 -3.004 1.00 . A A . 15 GLU CG 1 1 13 6703 1 1 16 GLU H H 14.861 3.467 0.191 1.00 . A A . 15 GLU H 1 1 13 6704 1 1 16 GLU HA H 13.029 5.556 -0.316 1.00 . A A . 15 GLU HA 1 1 13 6705 1 1 16 GLU HB2 H 15.191 5.403 -1.453 1.00 . A A . 15 GLU HB2 1 1 13 6706 1 1 16 GLU HB3 H 14.676 3.920 -2.249 1.00 . A A . 15 GLU HB3 1 1 13 6707 1 1 16 GLU HG2 H 12.896 5.175 -3.398 1.00 . A A . 15 GLU HG2 1 1 13 6708 1 1 16 GLU HG3 H 13.471 6.651 -2.626 1.00 . A A . 15 GLU HG3 1 1 13 6709 1 1 16 GLU N N 13.965 3.842 0.332 1.00 . A A . 15 GLU N 1 1 13 6710 1 1 16 GLU O O 11.088 4.480 -1.565 1.00 . A A . 15 GLU O 1 1 13 6711 1 1 16 GLU OE1 O 14.902 4.976 -4.968 1.00 . A A . 15 GLU OE1 1 1 13 6712 1 1 16 GLU OE2 O 15.394 6.960 -4.168 1.00 . A A . 15 GLU OE2 1 1 13 6713 1 1 17 LYS C C 10.068 1.622 -0.851 1.00 . A A . 16 LYS C 1 1 13 6714 1 1 17 LYS CA C 11.175 1.734 -1.890 1.00 . A A . 16 LYS CA 1 1 13 6715 1 1 17 LYS CB C 11.709 0.346 -2.244 1.00 . A A . 16 LYS CB 1 1 13 6716 1 1 17 LYS CD C 10.635 0.066 -4.491 1.00 . A A . 16 LYS CD 1 1 13 6717 1 1 17 LYS CE C 9.749 -0.808 -5.361 1.00 . A A . 16 LYS CE 1 1 13 6718 1 1 17 LYS CG C 10.754 -0.487 -3.081 1.00 . A A . 16 LYS CG 1 1 13 6719 1 1 17 LYS H H 13.085 2.142 -1.095 1.00 . A A . 16 LYS H 1 1 13 6720 1 1 17 LYS HA H 10.780 2.204 -2.776 1.00 . A A . 16 LYS HA 1 1 13 6721 1 1 17 LYS HB2 H 12.632 0.458 -2.799 1.00 . A A . 16 LYS HB2 1 1 13 6722 1 1 17 LYS HB3 H 11.914 -0.189 -1.328 1.00 . A A . 16 LYS HB3 1 1 13 6723 1 1 17 LYS HD2 H 10.208 1.056 -4.445 1.00 . A A . 16 LYS HD2 1 1 13 6724 1 1 17 LYS HD3 H 11.620 0.117 -4.932 1.00 . A A . 16 LYS HD3 1 1 13 6725 1 1 17 LYS HE2 H 10.075 -1.833 -5.268 1.00 . A A . 16 LYS HE2 1 1 13 6726 1 1 17 LYS HE3 H 8.730 -0.722 -5.016 1.00 . A A . 16 LYS HE3 1 1 13 6727 1 1 17 LYS HG2 H 11.124 -1.500 -3.132 1.00 . A A . 16 LYS HG2 1 1 13 6728 1 1 17 LYS HG3 H 9.780 -0.479 -2.616 1.00 . A A . 16 LYS HG3 1 1 13 6729 1 1 17 LYS HZ1 H 9.147 -0.973 -7.351 1.00 . A A . 16 LYS HZ1 1 1 13 6730 1 1 17 LYS HZ2 H 10.773 -0.560 -7.159 1.00 . A A . 16 LYS HZ2 1 1 13 6731 1 1 17 LYS HZ3 H 9.573 0.600 -6.894 1.00 . A A . 16 LYS HZ3 1 1 13 6732 1 1 17 LYS N N 12.248 2.565 -1.378 1.00 . A A . 16 LYS N 1 1 13 6733 1 1 17 LYS NZ N 9.814 -0.407 -6.790 1.00 . A A . 16 LYS NZ 1 1 13 6734 1 1 17 LYS O O 8.884 1.626 -1.189 1.00 . A A . 16 LYS O 1 1 13 6735 1 1 18 LEU C C 8.664 2.746 1.555 1.00 . A A . 17 LEU C 1 1 13 6736 1 1 18 LEU CA C 9.512 1.485 1.512 1.00 . A A . 17 LEU CA 1 1 13 6737 1 1 18 LEU CB C 10.231 1.302 2.847 1.00 . A A . 17 LEU CB 1 1 13 6738 1 1 18 LEU CD1 C 11.485 -0.144 4.454 1.00 . A A . 17 LEU CD1 1 1 13 6739 1 1 18 LEU CD2 C 9.837 -1.168 2.885 1.00 . A A . 17 LEU CD2 1 1 13 6740 1 1 18 LEU CG C 10.867 -0.069 3.069 1.00 . A A . 17 LEU CG 1 1 13 6741 1 1 18 LEU H H 11.425 1.496 0.615 1.00 . A A . 17 LEU H 1 1 13 6742 1 1 18 LEU HA H 8.868 0.640 1.344 1.00 . A A . 17 LEU HA 1 1 13 6743 1 1 18 LEU HB2 H 11.006 2.045 2.914 1.00 . A A . 17 LEU HB2 1 1 13 6744 1 1 18 LEU HB3 H 9.521 1.477 3.640 1.00 . A A . 17 LEU HB3 1 1 13 6745 1 1 18 LEU HD11 H 12.212 0.644 4.566 1.00 . A A . 17 LEU HD11 1 1 13 6746 1 1 18 LEU HD12 H 11.969 -1.102 4.581 1.00 . A A . 17 LEU HD12 1 1 13 6747 1 1 18 LEU HD13 H 10.711 -0.030 5.199 1.00 . A A . 17 LEU HD13 1 1 13 6748 1 1 18 LEU HD21 H 8.984 -0.969 3.517 1.00 . A A . 17 LEU HD21 1 1 13 6749 1 1 18 LEU HD22 H 10.273 -2.117 3.156 1.00 . A A . 17 LEU HD22 1 1 13 6750 1 1 18 LEU HD23 H 9.522 -1.198 1.852 1.00 . A A . 17 LEU HD23 1 1 13 6751 1 1 18 LEU HG H 11.654 -0.217 2.342 1.00 . A A . 17 LEU HG 1 1 13 6752 1 1 18 LEU N N 10.462 1.539 0.414 1.00 . A A . 17 LEU N 1 1 13 6753 1 1 18 LEU O O 7.474 2.685 1.833 1.00 . A A . 17 LEU O 1 1 13 6754 1 1 19 ALA C C 7.474 5.113 0.170 1.00 . A A . 18 ALA C 1 1 13 6755 1 1 19 ALA CA C 8.569 5.150 1.224 1.00 . A A . 18 ALA CA 1 1 13 6756 1 1 19 ALA CB C 9.533 6.282 0.938 1.00 . A A . 18 ALA CB 1 1 13 6757 1 1 19 ALA H H 10.249 3.875 1.101 1.00 . A A . 18 ALA H 1 1 13 6758 1 1 19 ALA HA H 8.125 5.319 2.191 1.00 . A A . 18 ALA HA 1 1 13 6759 1 1 19 ALA HB1 H 9.003 7.221 0.964 1.00 . A A . 18 ALA HB1 1 1 13 6760 1 1 19 ALA HB2 H 9.970 6.139 -0.039 1.00 . A A . 18 ALA HB2 1 1 13 6761 1 1 19 ALA HB3 H 10.312 6.286 1.685 1.00 . A A . 18 ALA HB3 1 1 13 6762 1 1 19 ALA N N 9.283 3.884 1.271 1.00 . A A . 18 ALA N 1 1 13 6763 1 1 19 ALA O O 6.344 5.545 0.408 1.00 . A A . 18 ALA O 1 1 13 6764 1 1 20 LYS C C 5.776 3.436 -1.696 1.00 . A A . 19 LYS C 1 1 13 6765 1 1 20 LYS CA C 6.848 4.452 -2.075 1.00 . A A . 19 LYS CA 1 1 13 6766 1 1 20 LYS CB C 7.558 4.038 -3.364 1.00 . A A . 19 LYS CB 1 1 13 6767 1 1 20 LYS CD C 7.441 3.712 -5.847 1.00 . A A . 19 LYS CD 1 1 13 6768 1 1 20 LYS CE C 6.549 3.736 -7.077 1.00 . A A . 19 LYS CE 1 1 13 6769 1 1 20 LYS CG C 6.665 4.064 -4.591 1.00 . A A . 19 LYS CG 1 1 13 6770 1 1 20 LYS H H 8.729 4.260 -1.126 1.00 . A A . 19 LYS H 1 1 13 6771 1 1 20 LYS HA H 6.381 5.414 -2.218 1.00 . A A . 19 LYS HA 1 1 13 6772 1 1 20 LYS HB2 H 8.387 4.708 -3.534 1.00 . A A . 19 LYS HB2 1 1 13 6773 1 1 20 LYS HB3 H 7.939 3.034 -3.243 1.00 . A A . 19 LYS HB3 1 1 13 6774 1 1 20 LYS HD2 H 8.237 4.428 -5.979 1.00 . A A . 19 LYS HD2 1 1 13 6775 1 1 20 LYS HD3 H 7.858 2.723 -5.735 1.00 . A A . 19 LYS HD3 1 1 13 6776 1 1 20 LYS HE2 H 7.124 3.405 -7.928 1.00 . A A . 19 LYS HE2 1 1 13 6777 1 1 20 LYS HE3 H 5.722 3.059 -6.918 1.00 . A A . 19 LYS HE3 1 1 13 6778 1 1 20 LYS HG2 H 5.866 3.351 -4.460 1.00 . A A . 19 LYS HG2 1 1 13 6779 1 1 20 LYS HG3 H 6.250 5.056 -4.700 1.00 . A A . 19 LYS HG3 1 1 13 6780 1 1 20 LYS HZ1 H 6.797 5.753 -7.554 1.00 . A A . 19 LYS HZ1 1 1 13 6781 1 1 20 LYS HZ2 H 5.476 5.447 -6.543 1.00 . A A . 19 LYS HZ2 1 1 13 6782 1 1 20 LYS HZ3 H 5.388 5.066 -8.187 1.00 . A A . 19 LYS HZ3 1 1 13 6783 1 1 20 LYS N N 7.810 4.579 -0.994 1.00 . A A . 19 LYS N 1 1 13 6784 1 1 20 LYS NZ N 6.015 5.094 -7.358 1.00 . A A . 19 LYS NZ 1 1 13 6785 1 1 20 LYS O O 4.601 3.594 -2.030 1.00 . A A . 19 LYS O 1 1 13 6786 1 1 21 TYR C C 4.306 2.039 0.534 1.00 . A A . 20 TYR C 1 1 13 6787 1 1 21 TYR CA C 5.279 1.402 -0.453 1.00 . A A . 20 TYR CA 1 1 13 6788 1 1 21 TYR CB C 6.067 0.279 0.227 1.00 . A A . 20 TYR CB 1 1 13 6789 1 1 21 TYR CD1 C 4.526 -1.719 0.282 1.00 . A A . 20 TYR CD1 1 1 13 6790 1 1 21 TYR CD2 C 5.081 -0.673 2.351 1.00 . A A . 20 TYR CD2 1 1 13 6791 1 1 21 TYR CE1 C 3.742 -2.637 0.951 1.00 . A A . 20 TYR CE1 1 1 13 6792 1 1 21 TYR CE2 C 4.297 -1.590 3.027 1.00 . A A . 20 TYR CE2 1 1 13 6793 1 1 21 TYR CG C 5.208 -0.722 0.970 1.00 . A A . 20 TYR CG 1 1 13 6794 1 1 21 TYR CZ C 3.632 -2.552 2.345 1.00 . A A . 20 TYR CZ 1 1 13 6795 1 1 21 TYR H H 7.157 2.305 -0.803 1.00 . A A . 20 TYR H 1 1 13 6796 1 1 21 TYR HA H 4.719 0.992 -1.280 1.00 . A A . 20 TYR HA 1 1 13 6797 1 1 21 TYR HB2 H 6.628 -0.261 -0.522 1.00 . A A . 20 TYR HB2 1 1 13 6798 1 1 21 TYR HB3 H 6.756 0.716 0.937 1.00 . A A . 20 TYR HB3 1 1 13 6799 1 1 21 TYR HD1 H 4.613 -1.771 -0.792 1.00 . A A . 20 TYR HD1 1 1 13 6800 1 1 21 TYR HD2 H 5.602 0.099 2.901 1.00 . A A . 20 TYR HD2 1 1 13 6801 1 1 21 TYR HE1 H 3.220 -3.404 0.398 1.00 . A A . 20 TYR HE1 1 1 13 6802 1 1 21 TYR HE2 H 4.209 -1.537 4.102 1.00 . A A . 20 TYR HE2 1 1 13 6803 1 1 21 TYR HH H 2.323 -3.024 3.656 1.00 . A A . 20 TYR HH 1 1 13 6804 1 1 21 TYR N N 6.195 2.402 -0.980 1.00 . A A . 20 TYR N 1 1 13 6805 1 1 21 TYR O O 3.109 1.767 0.499 1.00 . A A . 20 TYR O 1 1 13 6806 1 1 21 TYR OH O 2.848 -3.484 2.990 1.00 . A A . 20 TYR OH 1 1 13 6807 1 1 22 GLN C C 2.985 4.482 1.722 1.00 . A A . 21 GLN C 1 1 13 6808 1 1 22 GLN CA C 4.009 3.583 2.397 1.00 . A A . 21 GLN CA 1 1 13 6809 1 1 22 GLN CB C 4.878 4.409 3.347 1.00 . A A . 21 GLN CB 1 1 13 6810 1 1 22 GLN CD C 5.112 2.534 5.041 1.00 . A A . 21 GLN CD 1 1 13 6811 1 1 22 GLN CG C 5.827 3.572 4.193 1.00 . A A . 21 GLN CG 1 1 13 6812 1 1 22 GLN H H 5.799 3.068 1.383 1.00 . A A . 21 GLN H 1 1 13 6813 1 1 22 GLN HA H 3.487 2.830 2.966 1.00 . A A . 21 GLN HA 1 1 13 6814 1 1 22 GLN HB2 H 5.467 5.102 2.764 1.00 . A A . 21 GLN HB2 1 1 13 6815 1 1 22 GLN HB3 H 4.234 4.966 4.009 1.00 . A A . 21 GLN HB3 1 1 13 6816 1 1 22 GLN HE21 H 6.707 1.350 4.979 1.00 . A A . 21 GLN HE21 1 1 13 6817 1 1 22 GLN HE22 H 5.353 0.739 5.862 1.00 . A A . 21 GLN HE22 1 1 13 6818 1 1 22 GLN HG2 H 6.516 3.063 3.536 1.00 . A A . 21 GLN HG2 1 1 13 6819 1 1 22 GLN HG3 H 6.379 4.231 4.847 1.00 . A A . 21 GLN HG3 1 1 13 6820 1 1 22 GLN N N 4.829 2.897 1.404 1.00 . A A . 21 GLN N 1 1 13 6821 1 1 22 GLN NE2 N 5.791 1.432 5.324 1.00 . A A . 21 GLN NE2 1 1 13 6822 1 1 22 GLN O O 1.876 4.655 2.223 1.00 . A A . 21 GLN O 1 1 13 6823 1 1 22 GLN OE1 O 3.966 2.725 5.451 1.00 . A A . 21 GLN OE1 1 1 13 6824 1 1 23 ALA C C 1.340 5.062 -0.797 1.00 . A A . 22 ALA C 1 1 13 6825 1 1 23 ALA CA C 2.467 5.887 -0.186 1.00 . A A . 22 ALA CA 1 1 13 6826 1 1 23 ALA CB C 3.241 6.616 -1.270 1.00 . A A . 22 ALA CB 1 1 13 6827 1 1 23 ALA H H 4.274 4.890 0.253 1.00 . A A . 22 ALA H 1 1 13 6828 1 1 23 ALA HA H 2.044 6.621 0.483 1.00 . A A . 22 ALA HA 1 1 13 6829 1 1 23 ALA HB1 H 2.573 7.269 -1.813 1.00 . A A . 22 ALA HB1 1 1 13 6830 1 1 23 ALA HB2 H 3.672 5.895 -1.950 1.00 . A A . 22 ALA HB2 1 1 13 6831 1 1 23 ALA HB3 H 4.030 7.201 -0.819 1.00 . A A . 22 ALA HB3 1 1 13 6832 1 1 23 ALA N N 3.363 5.044 0.583 1.00 . A A . 22 ALA N 1 1 13 6833 1 1 23 ALA O O 0.201 5.521 -0.904 1.00 . A A . 22 ALA O 1 1 13 6834 1 1 24 ASP C C -0.189 2.342 -0.650 1.00 . A A . 23 ASP C 1 1 13 6835 1 1 24 ASP CA C 0.673 2.934 -1.760 1.00 . A A . 23 ASP CA 1 1 13 6836 1 1 24 ASP CB C 1.365 1.822 -2.558 1.00 . A A . 23 ASP CB 1 1 13 6837 1 1 24 ASP CG C 0.408 1.048 -3.443 1.00 . A A . 23 ASP CG 1 1 13 6838 1 1 24 ASP H H 2.593 3.538 -1.092 1.00 . A A . 23 ASP H 1 1 13 6839 1 1 24 ASP HA H 0.043 3.508 -2.423 1.00 . A A . 23 ASP HA 1 1 13 6840 1 1 24 ASP HB2 H 2.125 2.262 -3.189 1.00 . A A . 23 ASP HB2 1 1 13 6841 1 1 24 ASP HB3 H 1.831 1.130 -1.868 1.00 . A A . 23 ASP HB3 1 1 13 6842 1 1 24 ASP N N 1.662 3.839 -1.188 1.00 . A A . 23 ASP N 1 1 13 6843 1 1 24 ASP O O -1.391 2.138 -0.817 1.00 . A A . 23 ASP O 1 1 13 6844 1 1 24 ASP OD1 O -0.162 0.043 -2.966 1.00 . A A . 23 ASP OD1 1 1 13 6845 1 1 24 ASP OD2 O 0.186 1.458 -4.599 1.00 . A A . 23 ASP OD2 1 1 13 6846 1 1 25 LEU C C -1.230 2.715 2.162 1.00 . A A . 24 LEU C 1 1 13 6847 1 1 25 LEU CA C -0.269 1.625 1.683 1.00 . A A . 24 LEU CA 1 1 13 6848 1 1 25 LEU CB C 0.752 1.240 2.777 1.00 . A A . 24 LEU CB 1 1 13 6849 1 1 25 LEU CD1 C -0.343 1.637 5.011 1.00 . A A . 24 LEU CD1 1 1 13 6850 1 1 25 LEU CD2 C -0.872 -0.439 3.724 1.00 . A A . 24 LEU CD2 1 1 13 6851 1 1 25 LEU CG C 0.201 0.589 4.056 1.00 . A A . 24 LEU CG 1 1 13 6852 1 1 25 LEU H H 1.413 2.200 0.533 1.00 . A A . 24 LEU H 1 1 13 6853 1 1 25 LEU HA H -0.846 0.753 1.412 1.00 . A A . 24 LEU HA 1 1 13 6854 1 1 25 LEU HB2 H 1.469 0.557 2.344 1.00 . A A . 24 LEU HB2 1 1 13 6855 1 1 25 LEU HB3 H 1.277 2.138 3.065 1.00 . A A . 24 LEU HB3 1 1 13 6856 1 1 25 LEU HD11 H -0.741 1.155 5.890 1.00 . A A . 24 LEU HD11 1 1 13 6857 1 1 25 LEU HD12 H -1.126 2.197 4.520 1.00 . A A . 24 LEU HD12 1 1 13 6858 1 1 25 LEU HD13 H 0.454 2.309 5.296 1.00 . A A . 24 LEU HD13 1 1 13 6859 1 1 25 LEU HD21 H -1.671 0.040 3.180 1.00 . A A . 24 LEU HD21 1 1 13 6860 1 1 25 LEU HD22 H -1.263 -0.859 4.639 1.00 . A A . 24 LEU HD22 1 1 13 6861 1 1 25 LEU HD23 H -0.446 -1.225 3.121 1.00 . A A . 24 LEU HD23 1 1 13 6862 1 1 25 LEU HG H 1.005 0.075 4.561 1.00 . A A . 24 LEU HG 1 1 13 6863 1 1 25 LEU N N 0.437 2.084 0.493 1.00 . A A . 24 LEU N 1 1 13 6864 1 1 25 LEU O O -2.340 2.428 2.608 1.00 . A A . 24 LEU O 1 1 13 6865 1 1 26 ALA C C -2.881 5.114 1.470 1.00 . A A . 25 ALA C 1 1 13 6866 1 1 26 ALA CA C -1.653 5.107 2.369 1.00 . A A . 25 ALA CA 1 1 13 6867 1 1 26 ALA CB C -0.881 6.405 2.216 1.00 . A A . 25 ALA CB 1 1 13 6868 1 1 26 ALA H H 0.122 4.134 1.753 1.00 . A A . 25 ALA H 1 1 13 6869 1 1 26 ALA HA H -1.967 5.016 3.397 1.00 . A A . 25 ALA HA 1 1 13 6870 1 1 26 ALA HB1 H -0.591 6.529 1.184 1.00 . A A . 25 ALA HB1 1 1 13 6871 1 1 26 ALA HB2 H 0.001 6.372 2.837 1.00 . A A . 25 ALA HB2 1 1 13 6872 1 1 26 ALA HB3 H -1.505 7.233 2.519 1.00 . A A . 25 ALA HB3 1 1 13 6873 1 1 26 ALA N N -0.800 3.970 2.049 1.00 . A A . 25 ALA N 1 1 13 6874 1 1 26 ALA O O -3.999 5.388 1.918 1.00 . A A . 25 ALA O 1 1 13 6875 1 1 27 LYS C C -4.681 3.542 -0.343 1.00 . A A . 26 LYS C 1 1 13 6876 1 1 27 LYS CA C -3.742 4.667 -0.760 1.00 . A A . 26 LYS CA 1 1 13 6877 1 1 27 LYS CB C -3.187 4.384 -2.157 1.00 . A A . 26 LYS CB 1 1 13 6878 1 1 27 LYS CD C -3.773 3.566 -4.463 1.00 . A A . 26 LYS CD 1 1 13 6879 1 1 27 LYS CE C -3.578 2.085 -4.171 1.00 . A A . 26 LYS CE 1 1 13 6880 1 1 27 LYS CG C -4.259 4.316 -3.234 1.00 . A A . 26 LYS CG 1 1 13 6881 1 1 27 LYS H H -1.737 4.644 -0.095 1.00 . A A . 26 LYS H 1 1 13 6882 1 1 27 LYS HA H -4.289 5.597 -0.775 1.00 . A A . 26 LYS HA 1 1 13 6883 1 1 27 LYS HB2 H -2.491 5.165 -2.420 1.00 . A A . 26 LYS HB2 1 1 13 6884 1 1 27 LYS HB3 H -2.665 3.441 -2.138 1.00 . A A . 26 LYS HB3 1 1 13 6885 1 1 27 LYS HD2 H -4.502 3.674 -5.251 1.00 . A A . 26 LYS HD2 1 1 13 6886 1 1 27 LYS HD3 H -2.831 3.989 -4.780 1.00 . A A . 26 LYS HD3 1 1 13 6887 1 1 27 LYS HE2 H -3.147 1.617 -5.042 1.00 . A A . 26 LYS HE2 1 1 13 6888 1 1 27 LYS HE3 H -2.901 1.978 -3.338 1.00 . A A . 26 LYS HE3 1 1 13 6889 1 1 27 LYS HG2 H -5.125 3.807 -2.835 1.00 . A A . 26 LYS HG2 1 1 13 6890 1 1 27 LYS HG3 H -4.531 5.321 -3.521 1.00 . A A . 26 LYS HG3 1 1 13 6891 1 1 27 LYS HZ1 H -4.674 0.445 -3.484 1.00 . A A . 26 LYS HZ1 1 1 13 6892 1 1 27 LYS HZ2 H -5.448 1.324 -4.699 1.00 . A A . 26 LYS HZ2 1 1 13 6893 1 1 27 LYS HZ3 H -5.393 1.938 -3.125 1.00 . A A . 26 LYS HZ3 1 1 13 6894 1 1 27 LYS N N -2.660 4.794 0.202 1.00 . A A . 26 LYS N 1 1 13 6895 1 1 27 LYS NZ N -4.861 1.402 -3.846 1.00 . A A . 26 LYS NZ 1 1 13 6896 1 1 27 LYS O O -5.897 3.707 -0.352 1.00 . A A . 26 LYS O 1 1 13 6897 1 1 28 TYR C C -5.751 1.612 1.676 1.00 . A A . 27 TYR C 1 1 13 6898 1 1 28 TYR CA C -4.878 1.252 0.481 1.00 . A A . 27 TYR CA 1 1 13 6899 1 1 28 TYR CB C -3.955 0.078 0.836 1.00 . A A . 27 TYR CB 1 1 13 6900 1 1 28 TYR CD1 C -5.301 -2.054 0.618 1.00 . A A . 27 TYR CD1 1 1 13 6901 1 1 28 TYR CD2 C -4.733 -1.303 2.809 1.00 . A A . 27 TYR CD2 1 1 13 6902 1 1 28 TYR CE1 C -5.955 -3.144 1.155 1.00 . A A . 27 TYR CE1 1 1 13 6903 1 1 28 TYR CE2 C -5.387 -2.392 3.354 1.00 . A A . 27 TYR CE2 1 1 13 6904 1 1 28 TYR CG C -4.679 -1.115 1.433 1.00 . A A . 27 TYR CG 1 1 13 6905 1 1 28 TYR CZ C -6.015 -3.293 2.531 1.00 . A A . 27 TYR CZ 1 1 13 6906 1 1 28 TYR H H -3.120 2.347 0.032 1.00 . A A . 27 TYR H 1 1 13 6907 1 1 28 TYR HA H -5.519 0.960 -0.337 1.00 . A A . 27 TYR HA 1 1 13 6908 1 1 28 TYR HB2 H -3.447 -0.257 -0.057 1.00 . A A . 27 TYR HB2 1 1 13 6909 1 1 28 TYR HB3 H -3.222 0.414 1.551 1.00 . A A . 27 TYR HB3 1 1 13 6910 1 1 28 TYR HD1 H -5.268 -1.924 -0.454 1.00 . A A . 27 TYR HD1 1 1 13 6911 1 1 28 TYR HD2 H -4.256 -0.583 3.458 1.00 . A A . 27 TYR HD2 1 1 13 6912 1 1 28 TYR HE1 H -6.431 -3.861 0.505 1.00 . A A . 27 TYR HE1 1 1 13 6913 1 1 28 TYR HE2 H -5.420 -2.520 4.425 1.00 . A A . 27 TYR HE2 1 1 13 6914 1 1 28 TYR HH H -6.536 -5.158 2.477 1.00 . A A . 27 TYR HH 1 1 13 6915 1 1 28 TYR N N -4.101 2.408 0.045 1.00 . A A . 27 TYR N 1 1 13 6916 1 1 28 TYR O O -6.900 1.194 1.755 1.00 . A A . 27 TYR O 1 1 13 6917 1 1 28 TYR OH O -6.643 -4.397 3.062 1.00 . A A . 27 TYR OH 1 1 13 6918 1 1 29 GLN C C -7.139 3.714 3.299 1.00 . A A . 28 GLN C 1 1 13 6919 1 1 29 GLN CA C -5.959 2.864 3.754 1.00 . A A . 28 GLN CA 1 1 13 6920 1 1 29 GLN CB C -5.074 3.682 4.702 1.00 . A A . 28 GLN CB 1 1 13 6921 1 1 29 GLN CD C -3.192 3.695 6.387 1.00 . A A . 28 GLN CD 1 1 13 6922 1 1 29 GLN CG C -3.947 2.885 5.351 1.00 . A A . 28 GLN CG 1 1 13 6923 1 1 29 GLN H H -4.261 2.658 2.502 1.00 . A A . 28 GLN H 1 1 13 6924 1 1 29 GLN HA H -6.334 1.996 4.276 1.00 . A A . 28 GLN HA 1 1 13 6925 1 1 29 GLN HB2 H -4.634 4.499 4.147 1.00 . A A . 28 GLN HB2 1 1 13 6926 1 1 29 GLN HB3 H -5.695 4.090 5.488 1.00 . A A . 28 GLN HB3 1 1 13 6927 1 1 29 GLN HE21 H -1.918 4.334 5.012 1.00 . A A . 28 GLN HE21 1 1 13 6928 1 1 29 GLN HE22 H -1.646 4.919 6.611 1.00 . A A . 28 GLN HE22 1 1 13 6929 1 1 29 GLN HG2 H -4.362 2.012 5.832 1.00 . A A . 28 GLN HG2 1 1 13 6930 1 1 29 GLN HG3 H -3.251 2.575 4.583 1.00 . A A . 28 GLN HG3 1 1 13 6931 1 1 29 GLN N N -5.201 2.396 2.599 1.00 . A A . 28 GLN N 1 1 13 6932 1 1 29 GLN NE2 N -2.148 4.384 5.960 1.00 . A A . 28 GLN NE2 1 1 13 6933 1 1 29 GLN O O -8.239 3.615 3.847 1.00 . A A . 28 GLN O 1 1 13 6934 1 1 29 GLN OE1 O -3.547 3.701 7.566 1.00 . A A . 28 GLN OE1 1 1 13 6935 1 1 30 LYS C C -9.025 4.538 1.072 1.00 . A A . 29 LYS C 1 1 13 6936 1 1 30 LYS CA C -7.929 5.386 1.712 1.00 . A A . 29 LYS CA 1 1 13 6937 1 1 30 LYS CB C -7.306 6.334 0.683 1.00 . A A . 29 LYS CB 1 1 13 6938 1 1 30 LYS CD C -7.620 8.218 -0.955 1.00 . A A . 29 LYS CD 1 1 13 6939 1 1 30 LYS CE C -6.643 9.151 -0.258 1.00 . A A . 29 LYS CE 1 1 13 6940 1 1 30 LYS CG C -8.299 7.279 0.031 1.00 . A A . 29 LYS CG 1 1 13 6941 1 1 30 LYS H H -5.992 4.571 1.910 1.00 . A A . 29 LYS H 1 1 13 6942 1 1 30 LYS HA H -8.361 5.968 2.509 1.00 . A A . 29 LYS HA 1 1 13 6943 1 1 30 LYS HB2 H -6.549 6.928 1.175 1.00 . A A . 29 LYS HB2 1 1 13 6944 1 1 30 LYS HB3 H -6.839 5.746 -0.095 1.00 . A A . 29 LYS HB3 1 1 13 6945 1 1 30 LYS HD2 H -7.082 7.630 -1.684 1.00 . A A . 29 LYS HD2 1 1 13 6946 1 1 30 LYS HD3 H -8.375 8.808 -1.453 1.00 . A A . 29 LYS HD3 1 1 13 6947 1 1 30 LYS HE2 H -7.176 9.708 0.497 1.00 . A A . 29 LYS HE2 1 1 13 6948 1 1 30 LYS HE3 H -5.871 8.560 0.209 1.00 . A A . 29 LYS HE3 1 1 13 6949 1 1 30 LYS HG2 H -9.039 6.697 -0.493 1.00 . A A . 29 LYS HG2 1 1 13 6950 1 1 30 LYS HG3 H -8.779 7.867 0.800 1.00 . A A . 29 LYS HG3 1 1 13 6951 1 1 30 LYS HZ1 H -6.747 10.679 -1.674 1.00 . A A . 29 LYS HZ1 1 1 13 6952 1 1 30 LYS HZ2 H -5.476 9.593 -1.930 1.00 . A A . 29 LYS HZ2 1 1 13 6953 1 1 30 LYS HZ3 H -5.370 10.741 -0.694 1.00 . A A . 29 LYS HZ3 1 1 13 6954 1 1 30 LYS N N -6.897 4.538 2.288 1.00 . A A . 29 LYS N 1 1 13 6955 1 1 30 LYS NZ N -6.015 10.107 -1.205 1.00 . A A . 29 LYS NZ 1 1 13 6956 1 1 30 LYS O O -10.213 4.744 1.326 1.00 . A A . 29 LYS O 1 1 13 6957 1 1 31 ASP C C -10.300 1.835 0.649 1.00 . A A . 30 ASP C 1 1 13 6958 1 1 31 ASP CA C -9.553 2.661 -0.391 1.00 . A A . 30 ASP CA 1 1 13 6959 1 1 31 ASP CB C -8.824 1.723 -1.358 1.00 . A A . 30 ASP CB 1 1 13 6960 1 1 31 ASP CG C -8.185 2.446 -2.526 1.00 . A A . 30 ASP CG 1 1 13 6961 1 1 31 ASP H H -7.652 3.472 0.082 1.00 . A A . 30 ASP H 1 1 13 6962 1 1 31 ASP HA H -10.265 3.254 -0.944 1.00 . A A . 30 ASP HA 1 1 13 6963 1 1 31 ASP HB2 H -8.047 1.197 -0.821 1.00 . A A . 30 ASP HB2 1 1 13 6964 1 1 31 ASP HB3 H -9.534 1.008 -1.748 1.00 . A A . 30 ASP HB3 1 1 13 6965 1 1 31 ASP N N -8.615 3.571 0.257 1.00 . A A . 30 ASP N 1 1 13 6966 1 1 31 ASP O O -11.483 1.528 0.491 1.00 . A A . 30 ASP O 1 1 13 6967 1 1 31 ASP OD1 O -6.939 2.494 -2.594 1.00 . A A . 30 ASP OD1 1 1 13 6968 1 1 31 ASP OD2 O -8.920 2.989 -3.374 1.00 . A A . 30 ASP OD2 1 1 13 6969 1 1 32 LEU C C -11.238 1.513 3.517 1.00 . A A . 31 LEU C 1 1 13 6970 1 1 32 LEU CA C -10.155 0.707 2.809 1.00 . A A . 31 LEU CA 1 1 13 6971 1 1 32 LEU CB C -9.044 0.327 3.795 1.00 . A A . 31 LEU CB 1 1 13 6972 1 1 32 LEU CD1 C -9.942 -1.938 4.414 1.00 . A A . 31 LEU CD1 1 1 13 6973 1 1 32 LEU CD2 C -8.274 -0.795 5.882 1.00 . A A . 31 LEU CD2 1 1 13 6974 1 1 32 LEU CG C -9.450 -0.600 4.941 1.00 . A A . 31 LEU CG 1 1 13 6975 1 1 32 LEU H H -8.637 1.719 1.739 1.00 . A A . 31 LEU H 1 1 13 6976 1 1 32 LEU HA H -10.597 -0.190 2.403 1.00 . A A . 31 LEU HA 1 1 13 6977 1 1 32 LEU HB2 H -8.248 -0.150 3.242 1.00 . A A . 31 LEU HB2 1 1 13 6978 1 1 32 LEU HB3 H -8.655 1.238 4.229 1.00 . A A . 31 LEU HB3 1 1 13 6979 1 1 32 LEU HD11 H -10.147 -2.596 5.245 1.00 . A A . 31 LEU HD11 1 1 13 6980 1 1 32 LEU HD12 H -9.183 -2.380 3.784 1.00 . A A . 31 LEU HD12 1 1 13 6981 1 1 32 LEU HD13 H -10.845 -1.791 3.841 1.00 . A A . 31 LEU HD13 1 1 13 6982 1 1 32 LEU HD21 H -7.987 0.158 6.300 1.00 . A A . 31 LEU HD21 1 1 13 6983 1 1 32 LEU HD22 H -7.441 -1.214 5.334 1.00 . A A . 31 LEU HD22 1 1 13 6984 1 1 32 LEU HD23 H -8.556 -1.467 6.678 1.00 . A A . 31 LEU HD23 1 1 13 6985 1 1 32 LEU HG H -10.253 -0.144 5.499 1.00 . A A . 31 LEU HG 1 1 13 6986 1 1 32 LEU N N -9.588 1.472 1.705 1.00 . A A . 31 LEU N 1 1 13 6987 1 1 32 LEU O O -12.303 0.989 3.841 1.00 . A A . 31 LEU O 1 1 13 6988 1 1 33 ALA C C -13.146 3.860 3.518 1.00 . A A . 32 ALA C 1 1 13 6989 1 1 33 ALA CA C -11.906 3.687 4.382 1.00 . A A . 32 ALA CA 1 1 13 6990 1 1 33 ALA CB C -11.256 5.030 4.647 1.00 . A A . 32 ALA CB 1 1 13 6991 1 1 33 ALA H H -10.078 3.139 3.480 1.00 . A A . 32 ALA H 1 1 13 6992 1 1 33 ALA HA H -12.192 3.257 5.328 1.00 . A A . 32 ALA HA 1 1 13 6993 1 1 33 ALA HB1 H -10.372 4.889 5.247 1.00 . A A . 32 ALA HB1 1 1 13 6994 1 1 33 ALA HB2 H -11.952 5.669 5.170 1.00 . A A . 32 ALA HB2 1 1 13 6995 1 1 33 ALA HB3 H -10.986 5.485 3.706 1.00 . A A . 32 ALA HB3 1 1 13 6996 1 1 33 ALA N N -10.955 2.790 3.746 1.00 . A A . 32 ALA N 1 1 13 6997 1 1 33 ALA O O -14.271 3.883 4.020 1.00 . A A . 32 ALA O 1 1 13 6998 1 1 34 ASP C C -14.899 2.835 1.315 1.00 . A A . 33 ASP C 1 1 13 6999 1 1 34 ASP CA C -14.021 4.076 1.254 1.00 . A A . 33 ASP CA 1 1 13 7000 1 1 34 ASP CB C -13.488 4.261 -0.171 1.00 . A A . 33 ASP CB 1 1 13 7001 1 1 34 ASP CG C -14.542 3.976 -1.229 1.00 . A A . 33 ASP CG 1 1 13 7002 1 1 34 ASP H H -11.997 4.015 1.889 1.00 . A A . 33 ASP H 1 1 13 7003 1 1 34 ASP HA H -14.616 4.935 1.522 1.00 . A A . 33 ASP HA 1 1 13 7004 1 1 34 ASP HB2 H -13.149 5.278 -0.294 1.00 . A A . 33 ASP HB2 1 1 13 7005 1 1 34 ASP HB3 H -12.657 3.590 -0.327 1.00 . A A . 33 ASP HB3 1 1 13 7006 1 1 34 ASP N N -12.926 3.981 2.214 1.00 . A A . 33 ASP N 1 1 13 7007 1 1 34 ASP O O -16.124 2.925 1.252 1.00 . A A . 33 ASP O 1 1 13 7008 1 1 34 ASP OD1 O -14.461 2.915 -1.881 1.00 . A A . 33 ASP OD1 1 1 13 7009 1 1 34 ASP OD2 O -15.454 4.809 -1.419 1.00 . A A . 33 ASP OD2 1 1 13 7010 1 1 35 TYR C C -15.871 0.387 2.762 1.00 . A A . 34 TYR C 1 1 13 7011 1 1 35 TYR CA C -14.973 0.416 1.527 1.00 . A A . 34 TYR CA 1 1 13 7012 1 1 35 TYR CB C -13.978 -0.744 1.569 1.00 . A A . 34 TYR CB 1 1 13 7013 1 1 35 TYR CD1 C -14.960 -2.700 0.320 1.00 . A A . 34 TYR CD1 1 1 13 7014 1 1 35 TYR CD2 C -14.916 -2.786 2.698 1.00 . A A . 34 TYR CD2 1 1 13 7015 1 1 35 TYR CE1 C -15.550 -3.944 0.281 1.00 . A A . 34 TYR CE1 1 1 13 7016 1 1 35 TYR CE2 C -15.508 -4.030 2.668 1.00 . A A . 34 TYR CE2 1 1 13 7017 1 1 35 TYR CG C -14.633 -2.101 1.526 1.00 . A A . 34 TYR CG 1 1 13 7018 1 1 35 TYR CZ C -15.853 -4.591 1.440 1.00 . A A . 34 TYR CZ 1 1 13 7019 1 1 35 TYR H H -13.280 1.681 1.500 1.00 . A A . 34 TYR H 1 1 13 7020 1 1 35 TYR HA H -15.588 0.322 0.645 1.00 . A A . 34 TYR HA 1 1 13 7021 1 1 35 TYR HB2 H -13.314 -0.670 0.719 1.00 . A A . 34 TYR HB2 1 1 13 7022 1 1 35 TYR HB3 H -13.400 -0.682 2.478 1.00 . A A . 34 TYR HB3 1 1 13 7023 1 1 35 TYR HD1 H -14.746 -2.178 -0.601 1.00 . A A . 34 TYR HD1 1 1 13 7024 1 1 35 TYR HD2 H -14.667 -2.332 3.644 1.00 . A A . 34 TYR HD2 1 1 13 7025 1 1 35 TYR HE1 H -15.797 -4.393 -0.665 1.00 . A A . 34 TYR HE1 1 1 13 7026 1 1 35 TYR HE2 H -15.724 -4.544 3.591 1.00 . A A . 34 TYR HE2 1 1 13 7027 1 1 35 TYR HH H -17.150 -5.873 2.038 1.00 . A A . 34 TYR HH 1 1 13 7028 1 1 35 TYR N N -14.261 1.680 1.449 1.00 . A A . 34 TYR N 1 1 13 7029 1 1 35 TYR O O -17.083 0.181 2.663 1.00 . A A . 34 TYR O 1 1 13 7030 1 1 35 TYR OH O -16.407 -5.849 1.424 1.00 . A A . 34 TYR OH 1 1 13 7031 1 1 36 NH2 HN1 H -14.304 0.773 3.921 1.00 . A A . 35 NH2 HN1 1 1 13 7032 1 1 36 NH2 HN2 H -15.818 0.597 4.735 1.00 . A A . 35 NH2 HN2 1 1 13 7033 1 1 36 NH2 N N -15.272 0.607 3.923 1.00 . A A . 35 NH2 N 1 1 14 7034 1 1 1 ACE C C -13.837 -2.691 -4.721 1.00 . A A . 0 ACE C 1 1 14 7035 1 1 1 ACE CH3 C -14.373 -1.482 -4.006 1.00 . A A . 0 ACE CH3 1 1 14 7036 1 1 1 ACE H1 H -13.556 -0.992 -3.490 1.00 . A A . 0 ACE H1 1 1 14 7037 1 1 1 ACE H2 H -15.114 -1.792 -3.293 1.00 . A A . 0 ACE H2 1 1 14 7038 1 1 1 ACE H3 H -14.828 -0.821 -4.736 1.00 . A A . 0 ACE H3 1 1 14 7039 1 1 1 ACE O O -13.640 -2.673 -5.935 1.00 . A A . 0 ACE O 1 1 14 7040 1 1 2 PRO C C -11.170 -3.448 -3.530 1.00 . A A . 1 PRO C 1 1 14 7041 1 1 2 PRO CA C -12.536 -3.818 -2.957 1.00 . A A . 1 PRO CA 1 1 14 7042 1 1 2 PRO CB C -12.542 -5.282 -2.483 1.00 . A A . 1 PRO CB 1 1 14 7043 1 1 2 PRO CD C -14.328 -5.036 -4.053 1.00 . A A . 1 PRO CD 1 1 14 7044 1 1 2 PRO CG C -13.353 -6.030 -3.487 1.00 . A A . 1 PRO CG 1 1 14 7045 1 1 2 PRO HA H -12.768 -3.166 -2.128 1.00 . A A . 1 PRO HA 1 1 14 7046 1 1 2 PRO HB2 H -11.528 -5.659 -2.448 1.00 . A A . 1 PRO HB2 1 1 14 7047 1 1 2 PRO HB3 H -13.001 -5.354 -1.510 1.00 . A A . 1 PRO HB3 1 1 14 7048 1 1 2 PRO HD2 H -14.574 -5.279 -5.076 1.00 . A A . 1 PRO HD2 1 1 14 7049 1 1 2 PRO HD3 H -15.222 -4.989 -3.448 1.00 . A A . 1 PRO HD3 1 1 14 7050 1 1 2 PRO HG2 H -12.706 -6.413 -4.263 1.00 . A A . 1 PRO HG2 1 1 14 7051 1 1 2 PRO HG3 H -13.883 -6.837 -3.004 1.00 . A A . 1 PRO HG3 1 1 14 7052 1 1 2 PRO N N -13.586 -3.775 -3.978 1.00 . A A . 1 PRO N 1 1 14 7053 1 1 2 PRO O O -10.770 -3.959 -4.582 1.00 . A A . 1 PRO O 1 1 14 7054 1 1 3 PRO C C -8.083 -3.208 -3.279 1.00 . A A . 2 PRO C 1 1 14 7055 1 1 3 PRO CA C -9.122 -2.091 -3.310 1.00 . A A . 2 PRO CA 1 1 14 7056 1 1 3 PRO CB C -8.749 -0.991 -2.314 1.00 . A A . 2 PRO CB 1 1 14 7057 1 1 3 PRO CD C -10.850 -1.883 -1.599 1.00 . A A . 2 PRO CD 1 1 14 7058 1 1 3 PRO CG C -9.573 -1.259 -1.104 1.00 . A A . 2 PRO CG 1 1 14 7059 1 1 3 PRO HA H -9.171 -1.677 -4.307 1.00 . A A . 2 PRO HA 1 1 14 7060 1 1 3 PRO HB2 H -7.692 -1.048 -2.082 1.00 . A A . 2 PRO HB2 1 1 14 7061 1 1 3 PRO HB3 H -8.993 -0.023 -2.723 1.00 . A A . 2 PRO HB3 1 1 14 7062 1 1 3 PRO HD2 H -11.220 -2.605 -0.885 1.00 . A A . 2 PRO HD2 1 1 14 7063 1 1 3 PRO HD3 H -11.594 -1.123 -1.788 1.00 . A A . 2 PRO HD3 1 1 14 7064 1 1 3 PRO HG2 H -9.046 -1.940 -0.449 1.00 . A A . 2 PRO HG2 1 1 14 7065 1 1 3 PRO HG3 H -9.786 -0.333 -0.591 1.00 . A A . 2 PRO HG3 1 1 14 7066 1 1 3 PRO N N -10.442 -2.542 -2.855 1.00 . A A . 2 PRO N 1 1 14 7067 1 1 3 PRO O O -8.177 -4.139 -2.473 1.00 . A A . 2 PRO O 1 1 14 7068 1 1 4 THR C C -4.903 -3.785 -3.310 1.00 . A A . 3 THR C 1 1 14 7069 1 1 4 THR CA C -6.057 -4.118 -4.245 1.00 . A A . 3 THR CA 1 1 14 7070 1 1 4 THR CB C -5.526 -4.235 -5.686 1.00 . A A . 3 THR CB 1 1 14 7071 1 1 4 THR CG2 C -4.524 -5.371 -5.808 1.00 . A A . 3 THR CG2 1 1 14 7072 1 1 4 THR H H -7.069 -2.343 -4.764 1.00 . A A . 3 THR H 1 1 14 7073 1 1 4 THR HA H -6.476 -5.069 -3.961 1.00 . A A . 3 THR HA 1 1 14 7074 1 1 4 THR HB H -5.037 -3.311 -5.950 1.00 . A A . 3 THR HB 1 1 14 7075 1 1 4 THR HG1 H -7.291 -3.781 -6.453 1.00 . A A . 3 THR HG1 1 1 14 7076 1 1 4 THR HG21 H -3.694 -5.188 -5.142 1.00 . A A . 3 THR HG21 1 1 14 7077 1 1 4 THR HG22 H -4.167 -5.427 -6.825 1.00 . A A . 3 THR HG22 1 1 14 7078 1 1 4 THR HG23 H -5.003 -6.301 -5.541 1.00 . A A . 3 THR HG23 1 1 14 7079 1 1 4 THR N N -7.099 -3.117 -4.158 1.00 . A A . 3 THR N 1 1 14 7080 1 1 4 THR O O -4.429 -2.649 -3.273 1.00 . A A . 3 THR O 1 1 14 7081 1 1 4 THR OG1 O -6.617 -4.462 -6.588 1.00 . A A . 3 THR OG1 1 1 14 7082 1 1 5 LYS C C -2.052 -4.542 -2.512 1.00 . A A . 4 LYS C 1 1 14 7083 1 1 5 LYS CA C -3.319 -4.611 -1.672 1.00 . A A . 4 LYS CA 1 1 14 7084 1 1 5 LYS CB C -3.226 -5.768 -0.672 1.00 . A A . 4 LYS CB 1 1 14 7085 1 1 5 LYS CD C -4.187 -6.853 1.390 1.00 . A A . 4 LYS CD 1 1 14 7086 1 1 5 LYS CE C -4.094 -8.282 0.876 1.00 . A A . 4 LYS CE 1 1 14 7087 1 1 5 LYS CG C -4.414 -5.851 0.269 1.00 . A A . 4 LYS CG 1 1 14 7088 1 1 5 LYS H H -4.928 -5.642 -2.577 1.00 . A A . 4 LYS H 1 1 14 7089 1 1 5 LYS HA H -3.442 -3.683 -1.133 1.00 . A A . 4 LYS HA 1 1 14 7090 1 1 5 LYS HB2 H -3.166 -6.697 -1.222 1.00 . A A . 4 LYS HB2 1 1 14 7091 1 1 5 LYS HB3 H -2.330 -5.648 -0.079 1.00 . A A . 4 LYS HB3 1 1 14 7092 1 1 5 LYS HD2 H -3.267 -6.603 1.894 1.00 . A A . 4 LYS HD2 1 1 14 7093 1 1 5 LYS HD3 H -5.009 -6.784 2.086 1.00 . A A . 4 LYS HD3 1 1 14 7094 1 1 5 LYS HE2 H -5.013 -8.530 0.367 1.00 . A A . 4 LYS HE2 1 1 14 7095 1 1 5 LYS HE3 H -3.268 -8.351 0.184 1.00 . A A . 4 LYS HE3 1 1 14 7096 1 1 5 LYS HG2 H -4.580 -4.879 0.705 1.00 . A A . 4 LYS HG2 1 1 14 7097 1 1 5 LYS HG3 H -5.285 -6.146 -0.297 1.00 . A A . 4 LYS HG3 1 1 14 7098 1 1 5 LYS HZ1 H -4.634 -9.158 2.697 1.00 . A A . 4 LYS HZ1 1 1 14 7099 1 1 5 LYS HZ2 H -2.965 -9.076 2.445 1.00 . A A . 4 LYS HZ2 1 1 14 7100 1 1 5 LYS HZ3 H -3.884 -10.225 1.620 1.00 . A A . 4 LYS HZ3 1 1 14 7101 1 1 5 LYS N N -4.469 -4.776 -2.544 1.00 . A A . 4 LYS N 1 1 14 7102 1 1 5 LYS NZ N -3.879 -9.251 1.985 1.00 . A A . 4 LYS NZ 1 1 14 7103 1 1 5 LYS O O -1.818 -5.417 -3.347 1.00 . A A . 4 LYS O 1 1 14 7104 1 1 6 PRO C C 0.918 -4.514 -3.069 1.00 . A A . 5 PRO C 1 1 14 7105 1 1 6 PRO CA C -0.010 -3.305 -3.111 1.00 . A A . 5 PRO CA 1 1 14 7106 1 1 6 PRO CB C 0.671 -2.096 -2.460 1.00 . A A . 5 PRO CB 1 1 14 7107 1 1 6 PRO CD C -1.401 -2.441 -1.309 1.00 . A A . 5 PRO CD 1 1 14 7108 1 1 6 PRO CG C -0.009 -1.897 -1.148 1.00 . A A . 5 PRO CG 1 1 14 7109 1 1 6 PRO HA H -0.246 -3.077 -4.138 1.00 . A A . 5 PRO HA 1 1 14 7110 1 1 6 PRO HB2 H 1.726 -2.304 -2.321 1.00 . A A . 5 PRO HB2 1 1 14 7111 1 1 6 PRO HB3 H 0.541 -1.222 -3.081 1.00 . A A . 5 PRO HB3 1 1 14 7112 1 1 6 PRO HD2 H -1.759 -2.850 -0.371 1.00 . A A . 5 PRO HD2 1 1 14 7113 1 1 6 PRO HD3 H -2.072 -1.670 -1.671 1.00 . A A . 5 PRO HD3 1 1 14 7114 1 1 6 PRO HG2 H 0.525 -2.440 -0.374 1.00 . A A . 5 PRO HG2 1 1 14 7115 1 1 6 PRO HG3 H -0.047 -0.843 -0.913 1.00 . A A . 5 PRO HG3 1 1 14 7116 1 1 6 PRO N N -1.226 -3.502 -2.316 1.00 . A A . 5 PRO N 1 1 14 7117 1 1 6 PRO O O 1.228 -5.038 -1.999 1.00 . A A . 5 PRO O 1 1 14 7118 1 1 7 THR C C 3.680 -5.632 -3.945 1.00 . A A . 6 THR C 1 1 14 7119 1 1 7 THR CA C 2.275 -6.066 -4.362 1.00 . A A . 6 THR CA 1 1 14 7120 1 1 7 THR CB C 2.306 -6.586 -5.809 1.00 . A A . 6 THR CB 1 1 14 7121 1 1 7 THR CG2 C 2.944 -7.962 -5.882 1.00 . A A . 6 THR CG2 1 1 14 7122 1 1 7 THR H H 1.042 -4.502 -5.062 1.00 . A A . 6 THR H 1 1 14 7123 1 1 7 THR HA H 1.937 -6.858 -3.715 1.00 . A A . 6 THR HA 1 1 14 7124 1 1 7 THR HB H 2.884 -5.901 -6.407 1.00 . A A . 6 THR HB 1 1 14 7125 1 1 7 THR HG1 H 0.413 -7.139 -5.712 1.00 . A A . 6 THR HG1 1 1 14 7126 1 1 7 THR HG21 H 2.401 -8.645 -5.246 1.00 . A A . 6 THR HG21 1 1 14 7127 1 1 7 THR HG22 H 3.971 -7.899 -5.551 1.00 . A A . 6 THR HG22 1 1 14 7128 1 1 7 THR HG23 H 2.915 -8.318 -6.901 1.00 . A A . 6 THR HG23 1 1 14 7129 1 1 7 THR N N 1.352 -4.947 -4.245 1.00 . A A . 6 THR N 1 1 14 7130 1 1 7 THR O O 4.578 -6.456 -3.760 1.00 . A A . 6 THR O 1 1 14 7131 1 1 7 THR OG1 O 0.971 -6.653 -6.329 1.00 . A A . 6 THR OG1 1 1 14 7132 1 1 8 LYS C C 5.548 -4.315 -2.031 1.00 . A A . 7 LYS C 1 1 14 7133 1 1 8 LYS CA C 5.105 -3.734 -3.375 1.00 . A A . 7 LYS CA 1 1 14 7134 1 1 8 LYS CB C 4.946 -2.217 -3.257 1.00 . A A . 7 LYS CB 1 1 14 7135 1 1 8 LYS CD C 4.226 -0.058 -4.321 1.00 . A A . 7 LYS CD 1 1 14 7136 1 1 8 LYS CE C 3.683 0.609 -5.577 1.00 . A A . 7 LYS CE 1 1 14 7137 1 1 8 LYS CG C 4.518 -1.536 -4.547 1.00 . A A . 7 LYS CG 1 1 14 7138 1 1 8 LYS H H 3.091 -3.736 -3.997 1.00 . A A . 7 LYS H 1 1 14 7139 1 1 8 LYS HA H 5.852 -3.956 -4.121 1.00 . A A . 7 LYS HA 1 1 14 7140 1 1 8 LYS HB2 H 4.200 -2.009 -2.509 1.00 . A A . 7 LYS HB2 1 1 14 7141 1 1 8 LYS HB3 H 5.887 -1.790 -2.944 1.00 . A A . 7 LYS HB3 1 1 14 7142 1 1 8 LYS HD2 H 3.494 0.038 -3.532 1.00 . A A . 7 LYS HD2 1 1 14 7143 1 1 8 LYS HD3 H 5.139 0.440 -4.028 1.00 . A A . 7 LYS HD3 1 1 14 7144 1 1 8 LYS HE2 H 3.542 1.662 -5.376 1.00 . A A . 7 LYS HE2 1 1 14 7145 1 1 8 LYS HE3 H 4.401 0.490 -6.373 1.00 . A A . 7 LYS HE3 1 1 14 7146 1 1 8 LYS HG2 H 5.312 -1.630 -5.274 1.00 . A A . 7 LYS HG2 1 1 14 7147 1 1 8 LYS HG3 H 3.625 -2.020 -4.920 1.00 . A A . 7 LYS HG3 1 1 14 7148 1 1 8 LYS HZ1 H 1.654 0.181 -5.267 1.00 . A A . 7 LYS HZ1 1 1 14 7149 1 1 8 LYS HZ2 H 2.479 -0.997 -6.164 1.00 . A A . 7 LYS HZ2 1 1 14 7150 1 1 8 LYS HZ3 H 2.060 0.471 -6.888 1.00 . A A . 7 LYS HZ3 1 1 14 7151 1 1 8 LYS N N 3.846 -4.324 -3.805 1.00 . A A . 7 LYS N 1 1 14 7152 1 1 8 LYS NZ N 2.382 0.024 -6.004 1.00 . A A . 7 LYS NZ 1 1 14 7153 1 1 8 LYS O O 4.719 -4.569 -1.155 1.00 . A A . 7 LYS O 1 1 14 7154 1 1 9 PRO C C 7.212 -4.208 0.582 1.00 . A A . 8 PRO C 1 1 14 7155 1 1 9 PRO CA C 7.411 -5.117 -0.628 1.00 . A A . 8 PRO CA 1 1 14 7156 1 1 9 PRO CB C 8.902 -5.275 -0.936 1.00 . A A . 8 PRO CB 1 1 14 7157 1 1 9 PRO CD C 7.903 -4.262 -2.859 1.00 . A A . 8 PRO CD 1 1 14 7158 1 1 9 PRO CG C 9.174 -4.336 -2.057 1.00 . A A . 8 PRO CG 1 1 14 7159 1 1 9 PRO HA H 6.982 -6.085 -0.418 1.00 . A A . 8 PRO HA 1 1 14 7160 1 1 9 PRO HB2 H 9.487 -5.016 -0.062 1.00 . A A . 8 PRO HB2 1 1 14 7161 1 1 9 PRO HB3 H 9.112 -6.287 -1.241 1.00 . A A . 8 PRO HB3 1 1 14 7162 1 1 9 PRO HD2 H 7.775 -3.273 -3.280 1.00 . A A . 8 PRO HD2 1 1 14 7163 1 1 9 PRO HD3 H 7.900 -5.011 -3.640 1.00 . A A . 8 PRO HD3 1 1 14 7164 1 1 9 PRO HG2 H 9.427 -3.363 -1.659 1.00 . A A . 8 PRO HG2 1 1 14 7165 1 1 9 PRO HG3 H 9.980 -4.713 -2.671 1.00 . A A . 8 PRO HG3 1 1 14 7166 1 1 9 PRO N N 6.859 -4.544 -1.861 1.00 . A A . 8 PRO N 1 1 14 7167 1 1 9 PRO O O 7.337 -2.986 0.488 1.00 . A A . 8 PRO O 1 1 14 7168 1 1 10 GLY C C 7.689 -4.350 3.998 1.00 . A A . 9 GLY C 1 1 14 7169 1 1 10 GLY CA C 6.664 -4.058 2.926 1.00 . A A . 9 GLY CA 1 1 14 7170 1 1 10 GLY H H 6.850 -5.794 1.735 1.00 . A A . 9 GLY H 1 1 14 7171 1 1 10 GLY HA2 H 6.697 -3.008 2.690 1.00 . A A . 9 GLY HA2 1 1 14 7172 1 1 10 GLY HA3 H 5.684 -4.304 3.303 1.00 . A A . 9 GLY HA3 1 1 14 7173 1 1 10 GLY N N 6.907 -4.817 1.717 1.00 . A A . 9 GLY N 1 1 14 7174 1 1 10 GLY O O 7.779 -3.634 4.997 1.00 . A A . 9 GLY O 1 1 14 7175 1 1 11 ASP C C 10.775 -6.124 3.945 1.00 . A A . 10 ASP C 1 1 14 7176 1 1 11 ASP CA C 9.509 -5.792 4.722 1.00 . A A . 10 ASP CA 1 1 14 7177 1 1 11 ASP CB C 9.095 -7.004 5.564 1.00 . A A . 10 ASP CB 1 1 14 7178 1 1 11 ASP CG C 7.935 -6.720 6.498 1.00 . A A . 10 ASP CG 1 1 14 7179 1 1 11 ASP H H 8.311 -5.951 2.989 1.00 . A A . 10 ASP H 1 1 14 7180 1 1 11 ASP HA H 9.701 -4.954 5.373 1.00 . A A . 10 ASP HA 1 1 14 7181 1 1 11 ASP HB2 H 8.805 -7.805 4.903 1.00 . A A . 10 ASP HB2 1 1 14 7182 1 1 11 ASP HB3 H 9.938 -7.323 6.156 1.00 . A A . 10 ASP HB3 1 1 14 7183 1 1 11 ASP N N 8.454 -5.409 3.793 1.00 . A A . 10 ASP N 1 1 14 7184 1 1 11 ASP O O 10.697 -6.497 2.774 1.00 . A A . 10 ASP O 1 1 14 7185 1 1 11 ASP OD1 O 8.158 -6.129 7.577 1.00 . A A . 10 ASP OD1 1 1 14 7186 1 1 11 ASP OD2 O 6.791 -7.098 6.167 1.00 . A A . 10 ASP OD2 1 1 14 7187 1 1 12 ASN C C 13.484 -5.415 2.743 1.00 . A A . 11 ASN C 1 1 14 7188 1 1 12 ASN CA C 13.232 -6.277 3.974 1.00 . A A . 11 ASN CA 1 1 14 7189 1 1 12 ASN CB C 13.319 -7.757 3.590 1.00 . A A . 11 ASN CB 1 1 14 7190 1 1 12 ASN CG C 13.446 -8.666 4.797 1.00 . A A . 11 ASN CG 1 1 14 7191 1 1 12 ASN H H 11.916 -5.659 5.523 1.00 . A A . 11 ASN H 1 1 14 7192 1 1 12 ASN HA H 13.998 -6.063 4.702 1.00 . A A . 11 ASN HA 1 1 14 7193 1 1 12 ASN HB2 H 12.426 -8.031 3.049 1.00 . A A . 11 ASN HB2 1 1 14 7194 1 1 12 ASN HB3 H 14.180 -7.906 2.957 1.00 . A A . 11 ASN HB3 1 1 14 7195 1 1 12 ASN HD21 H 12.518 -10.131 3.831 1.00 . A A . 11 ASN HD21 1 1 14 7196 1 1 12 ASN HD22 H 13.015 -10.490 5.448 1.00 . A A . 11 ASN HD22 1 1 14 7197 1 1 12 ASN N N 11.932 -5.973 4.593 1.00 . A A . 11 ASN N 1 1 14 7198 1 1 12 ASN ND2 N 12.941 -9.883 4.680 1.00 . A A . 11 ASN ND2 1 1 14 7199 1 1 12 ASN O O 14.320 -5.744 1.901 1.00 . A A . 11 ASN O 1 1 14 7200 1 1 12 ASN OD1 O 13.998 -8.277 5.824 1.00 . A A . 11 ASN OD1 1 1 14 7201 1 1 13 ALA C C 13.704 -2.211 1.808 1.00 . A A . 12 ALA C 1 1 14 7202 1 1 13 ALA CA C 12.863 -3.438 1.498 1.00 . A A . 12 ALA CA 1 1 14 7203 1 1 13 ALA CB C 11.474 -3.032 1.044 1.00 . A A . 12 ALA CB 1 1 14 7204 1 1 13 ALA H H 12.176 -4.066 3.384 1.00 . A A . 12 ALA H 1 1 14 7205 1 1 13 ALA HA H 13.331 -3.990 0.698 1.00 . A A . 12 ALA HA 1 1 14 7206 1 1 13 ALA HB1 H 11.005 -2.436 1.814 1.00 . A A . 12 ALA HB1 1 1 14 7207 1 1 13 ALA HB2 H 10.882 -3.917 0.864 1.00 . A A . 12 ALA HB2 1 1 14 7208 1 1 13 ALA HB3 H 11.547 -2.456 0.136 1.00 . A A . 12 ALA HB3 1 1 14 7209 1 1 13 ALA N N 12.772 -4.309 2.652 1.00 . A A . 12 ALA N 1 1 14 7210 1 1 13 ALA O O 13.879 -1.841 2.970 1.00 . A A . 12 ALA O 1 1 14 7211 1 1 14 THR C C 14.162 0.794 1.317 1.00 . A A . 13 THR C 1 1 14 7212 1 1 14 THR CA C 15.025 -0.390 0.898 1.00 . A A . 13 THR CA 1 1 14 7213 1 1 14 THR CB C 15.731 -0.076 -0.429 1.00 . A A . 13 THR CB 1 1 14 7214 1 1 14 THR CG2 C 16.796 -1.114 -0.719 1.00 . A A . 13 THR CG2 1 1 14 7215 1 1 14 THR H H 14.058 -1.953 -0.133 1.00 . A A . 13 THR H 1 1 14 7216 1 1 14 THR HA H 15.777 -0.562 1.651 1.00 . A A . 13 THR HA 1 1 14 7217 1 1 14 THR HB H 16.200 0.891 -0.352 1.00 . A A . 13 THR HB 1 1 14 7218 1 1 14 THR HG1 H 14.896 -0.828 -2.056 1.00 . A A . 13 THR HG1 1 1 14 7219 1 1 14 THR HG21 H 17.287 -0.877 -1.651 1.00 . A A . 13 THR HG21 1 1 14 7220 1 1 14 THR HG22 H 16.336 -2.089 -0.788 1.00 . A A . 13 THR HG22 1 1 14 7221 1 1 14 THR HG23 H 17.521 -1.114 0.081 1.00 . A A . 13 THR HG23 1 1 14 7222 1 1 14 THR N N 14.222 -1.593 0.764 1.00 . A A . 13 THR N 1 1 14 7223 1 1 14 THR O O 12.955 0.802 1.071 1.00 . A A . 13 THR O 1 1 14 7224 1 1 14 THR OG1 O 14.774 -0.052 -1.500 1.00 . A A . 13 THR OG1 1 1 14 7225 1 1 15 PRO C C 13.320 3.686 1.255 1.00 . A A . 14 PRO C 1 1 14 7226 1 1 15 PRO CA C 14.045 3.002 2.409 1.00 . A A . 14 PRO CA 1 1 14 7227 1 1 15 PRO CB C 15.146 3.909 2.980 1.00 . A A . 14 PRO CB 1 1 14 7228 1 1 15 PRO CD C 16.190 1.864 2.325 1.00 . A A . 14 PRO CD 1 1 14 7229 1 1 15 PRO CG C 16.432 3.338 2.503 1.00 . A A . 14 PRO CG 1 1 14 7230 1 1 15 PRO HA H 13.332 2.764 3.183 1.00 . A A . 14 PRO HA 1 1 14 7231 1 1 15 PRO HB2 H 15.016 4.918 2.613 1.00 . A A . 14 PRO HB2 1 1 14 7232 1 1 15 PRO HB3 H 15.119 3.897 4.057 1.00 . A A . 14 PRO HB3 1 1 14 7233 1 1 15 PRO HD2 H 16.805 1.471 1.531 1.00 . A A . 14 PRO HD2 1 1 14 7234 1 1 15 PRO HD3 H 16.376 1.332 3.246 1.00 . A A . 14 PRO HD3 1 1 14 7235 1 1 15 PRO HG2 H 16.705 3.802 1.560 1.00 . A A . 14 PRO HG2 1 1 14 7236 1 1 15 PRO HG3 H 17.202 3.498 3.244 1.00 . A A . 14 PRO HG3 1 1 14 7237 1 1 15 PRO N N 14.765 1.806 1.966 1.00 . A A . 14 PRO N 1 1 14 7238 1 1 15 PRO O O 12.202 4.179 1.415 1.00 . A A . 14 PRO O 1 1 14 7239 1 1 16 GLU C C 12.099 3.507 -1.500 1.00 . A A . 15 GLU C 1 1 14 7240 1 1 16 GLU CA C 13.357 4.272 -1.107 1.00 . A A . 15 GLU CA 1 1 14 7241 1 1 16 GLU CB C 14.356 4.263 -2.266 1.00 . A A . 15 GLU CB 1 1 14 7242 1 1 16 GLU CD C 14.764 4.777 -4.709 1.00 . A A . 15 GLU CD 1 1 14 7243 1 1 16 GLU CG C 13.815 4.905 -3.536 1.00 . A A . 15 GLU CG 1 1 14 7244 1 1 16 GLU H H 14.838 3.266 0.018 1.00 . A A . 15 GLU H 1 1 14 7245 1 1 16 GLU HA H 13.093 5.291 -0.875 1.00 . A A . 15 GLU HA 1 1 14 7246 1 1 16 GLU HB2 H 15.245 4.801 -1.962 1.00 . A A . 15 GLU HB2 1 1 14 7247 1 1 16 GLU HB3 H 14.624 3.241 -2.488 1.00 . A A . 15 GLU HB3 1 1 14 7248 1 1 16 GLU HG2 H 12.880 4.430 -3.797 1.00 . A A . 15 GLU HG2 1 1 14 7249 1 1 16 GLU HG3 H 13.641 5.954 -3.345 1.00 . A A . 15 GLU HG3 1 1 14 7250 1 1 16 GLU N N 13.952 3.684 0.083 1.00 . A A . 15 GLU N 1 1 14 7251 1 1 16 GLU O O 11.064 4.100 -1.818 1.00 . A A . 15 GLU O 1 1 14 7252 1 1 16 GLU OE1 O 14.659 3.787 -5.462 1.00 . A A . 15 GLU OE1 1 1 14 7253 1 1 16 GLU OE2 O 15.615 5.673 -4.892 1.00 . A A . 15 GLU OE2 1 1 14 7254 1 1 17 LYS C C 9.973 1.408 -0.797 1.00 . A A . 16 LYS C 1 1 14 7255 1 1 17 LYS CA C 11.088 1.322 -1.831 1.00 . A A . 16 LYS CA 1 1 14 7256 1 1 17 LYS CB C 11.573 -0.125 -1.963 1.00 . A A . 16 LYS CB 1 1 14 7257 1 1 17 LYS CD C 10.297 -0.807 -4.030 1.00 . A A . 16 LYS CD 1 1 14 7258 1 1 17 LYS CE C 11.531 -1.121 -4.865 1.00 . A A . 16 LYS CE 1 1 14 7259 1 1 17 LYS CG C 10.539 -1.075 -2.550 1.00 . A A . 16 LYS CG 1 1 14 7260 1 1 17 LYS H H 13.031 1.780 -1.146 1.00 . A A . 16 LYS H 1 1 14 7261 1 1 17 LYS HA H 10.710 1.660 -2.781 1.00 . A A . 16 LYS HA 1 1 14 7262 1 1 17 LYS HB2 H 12.448 -0.144 -2.596 1.00 . A A . 16 LYS HB2 1 1 14 7263 1 1 17 LYS HB3 H 11.846 -0.487 -0.982 1.00 . A A . 16 LYS HB3 1 1 14 7264 1 1 17 LYS HD2 H 9.479 -1.424 -4.369 1.00 . A A . 16 LYS HD2 1 1 14 7265 1 1 17 LYS HD3 H 10.041 0.234 -4.159 1.00 . A A . 16 LYS HD3 1 1 14 7266 1 1 17 LYS HE2 H 12.359 -0.538 -4.497 1.00 . A A . 16 LYS HE2 1 1 14 7267 1 1 17 LYS HE3 H 11.758 -2.172 -4.764 1.00 . A A . 16 LYS HE3 1 1 14 7268 1 1 17 LYS HG2 H 10.891 -2.089 -2.434 1.00 . A A . 16 LYS HG2 1 1 14 7269 1 1 17 LYS HG3 H 9.609 -0.953 -2.014 1.00 . A A . 16 LYS HG3 1 1 14 7270 1 1 17 LYS HZ1 H 11.121 0.203 -6.427 1.00 . A A . 16 LYS HZ1 1 1 14 7271 1 1 17 LYS HZ2 H 10.533 -1.360 -6.683 1.00 . A A . 16 LYS HZ2 1 1 14 7272 1 1 17 LYS HZ3 H 12.183 -1.043 -6.846 1.00 . A A . 16 LYS HZ3 1 1 14 7273 1 1 17 LYS N N 12.193 2.186 -1.454 1.00 . A A . 16 LYS N 1 1 14 7274 1 1 17 LYS NZ N 11.327 -0.808 -6.304 1.00 . A A . 16 LYS NZ 1 1 14 7275 1 1 17 LYS O O 8.797 1.526 -1.146 1.00 . A A . 16 LYS O 1 1 14 7276 1 1 18 LEU C C 8.637 2.767 1.532 1.00 . A A . 17 LEU C 1 1 14 7277 1 1 18 LEU CA C 9.406 1.456 1.570 1.00 . A A . 17 LEU CA 1 1 14 7278 1 1 18 LEU CB C 10.117 1.317 2.915 1.00 . A A . 17 LEU CB 1 1 14 7279 1 1 18 LEU CD1 C 11.356 -0.082 4.579 1.00 . A A . 17 LEU CD1 1 1 14 7280 1 1 18 LEU CD2 C 9.454 -1.068 3.288 1.00 . A A . 17 LEU CD2 1 1 14 7281 1 1 18 LEU CG C 10.616 -0.088 3.251 1.00 . A A . 17 LEU CG 1 1 14 7282 1 1 18 LEU H H 11.314 1.278 0.682 1.00 . A A . 17 LEU H 1 1 14 7283 1 1 18 LEU HA H 8.709 0.643 1.459 1.00 . A A . 17 LEU HA 1 1 14 7284 1 1 18 LEU HB2 H 10.966 1.980 2.915 1.00 . A A . 17 LEU HB2 1 1 14 7285 1 1 18 LEU HB3 H 9.439 1.630 3.692 1.00 . A A . 17 LEU HB3 1 1 14 7286 1 1 18 LEU HD11 H 12.201 0.588 4.514 1.00 . A A . 17 LEU HD11 1 1 14 7287 1 1 18 LEU HD12 H 11.703 -1.080 4.803 1.00 . A A . 17 LEU HD12 1 1 14 7288 1 1 18 LEU HD13 H 10.691 0.252 5.362 1.00 . A A . 17 LEU HD13 1 1 14 7289 1 1 18 LEU HD21 H 8.703 -0.712 3.978 1.00 . A A . 17 LEU HD21 1 1 14 7290 1 1 18 LEU HD22 H 9.809 -2.035 3.610 1.00 . A A . 17 LEU HD22 1 1 14 7291 1 1 18 LEU HD23 H 9.025 -1.154 2.301 1.00 . A A . 17 LEU HD23 1 1 14 7292 1 1 18 LEU HG H 11.306 -0.410 2.486 1.00 . A A . 17 LEU HG 1 1 14 7293 1 1 18 LEU N N 10.357 1.372 0.474 1.00 . A A . 17 LEU N 1 1 14 7294 1 1 18 LEU O O 7.446 2.798 1.820 1.00 . A A . 17 LEU O 1 1 14 7295 1 1 19 ALA C C 7.579 5.163 0.051 1.00 . A A . 18 ALA C 1 1 14 7296 1 1 19 ALA CA C 8.689 5.150 1.094 1.00 . A A . 18 ALA CA 1 1 14 7297 1 1 19 ALA CB C 9.720 6.216 0.781 1.00 . A A . 18 ALA CB 1 1 14 7298 1 1 19 ALA H H 10.273 3.759 0.957 1.00 . A A . 18 ALA H 1 1 14 7299 1 1 19 ALA HA H 8.262 5.366 2.059 1.00 . A A . 18 ALA HA 1 1 14 7300 1 1 19 ALA HB1 H 9.249 7.186 0.799 1.00 . A A . 18 ALA HB1 1 1 14 7301 1 1 19 ALA HB2 H 10.138 6.032 -0.197 1.00 . A A . 18 ALA HB2 1 1 14 7302 1 1 19 ALA HB3 H 10.505 6.182 1.521 1.00 . A A . 18 ALA HB3 1 1 14 7303 1 1 19 ALA N N 9.319 3.843 1.170 1.00 . A A . 18 ALA N 1 1 14 7304 1 1 19 ALA O O 6.515 5.742 0.269 1.00 . A A . 18 ALA O 1 1 14 7305 1 1 20 LYS C C 5.723 3.451 -1.721 1.00 . A A . 19 LYS C 1 1 14 7306 1 1 20 LYS CA C 6.822 4.426 -2.128 1.00 . A A . 19 LYS CA 1 1 14 7307 1 1 20 LYS CB C 7.459 3.996 -3.450 1.00 . A A . 19 LYS CB 1 1 14 7308 1 1 20 LYS CD C 7.233 3.836 -5.955 1.00 . A A . 19 LYS CD 1 1 14 7309 1 1 20 LYS CE C 7.688 2.389 -6.059 1.00 . A A . 19 LYS CE 1 1 14 7310 1 1 20 LYS CG C 6.518 4.111 -4.642 1.00 . A A . 19 LYS CG 1 1 14 7311 1 1 20 LYS H H 8.702 4.091 -1.211 1.00 . A A . 19 LYS H 1 1 14 7312 1 1 20 LYS HA H 6.386 5.405 -2.249 1.00 . A A . 19 LYS HA 1 1 14 7313 1 1 20 LYS HB2 H 8.321 4.616 -3.637 1.00 . A A . 19 LYS HB2 1 1 14 7314 1 1 20 LYS HB3 H 7.776 2.968 -3.365 1.00 . A A . 19 LYS HB3 1 1 14 7315 1 1 20 LYS HD2 H 6.559 4.048 -6.772 1.00 . A A . 19 LYS HD2 1 1 14 7316 1 1 20 LYS HD3 H 8.097 4.481 -6.025 1.00 . A A . 19 LYS HD3 1 1 14 7317 1 1 20 LYS HE2 H 8.296 2.152 -5.201 1.00 . A A . 19 LYS HE2 1 1 14 7318 1 1 20 LYS HE3 H 6.817 1.751 -6.069 1.00 . A A . 19 LYS HE3 1 1 14 7319 1 1 20 LYS HG2 H 5.717 3.397 -4.525 1.00 . A A . 19 LYS HG2 1 1 14 7320 1 1 20 LYS HG3 H 6.109 5.111 -4.668 1.00 . A A . 19 LYS HG3 1 1 14 7321 1 1 20 LYS HZ1 H 7.940 2.440 -8.129 1.00 . A A . 19 LYS HZ1 1 1 14 7322 1 1 20 LYS HZ2 H 8.702 1.134 -7.379 1.00 . A A . 19 LYS HZ2 1 1 14 7323 1 1 20 LYS HZ3 H 9.371 2.682 -7.259 1.00 . A A . 19 LYS HZ3 1 1 14 7324 1 1 20 LYS N N 7.826 4.515 -1.080 1.00 . A A . 19 LYS N 1 1 14 7325 1 1 20 LYS NZ N 8.479 2.145 -7.292 1.00 . A A . 19 LYS NZ 1 1 14 7326 1 1 20 LYS O O 4.552 3.636 -2.056 1.00 . A A . 19 LYS O 1 1 14 7327 1 1 21 TYR C C 4.203 2.180 0.513 1.00 . A A . 20 TYR C 1 1 14 7328 1 1 21 TYR CA C 5.151 1.468 -0.437 1.00 . A A . 20 TYR CA 1 1 14 7329 1 1 21 TYR CB C 5.875 0.329 0.291 1.00 . A A . 20 TYR CB 1 1 14 7330 1 1 21 TYR CD1 C 4.154 -1.531 0.294 1.00 . A A . 20 TYR CD1 1 1 14 7331 1 1 21 TYR CD2 C 4.873 -0.660 2.392 1.00 . A A . 20 TYR CD2 1 1 14 7332 1 1 21 TYR CE1 C 3.311 -2.411 0.947 1.00 . A A . 20 TYR CE1 1 1 14 7333 1 1 21 TYR CE2 C 4.033 -1.538 3.050 1.00 . A A . 20 TYR CE2 1 1 14 7334 1 1 21 TYR CG C 4.949 -0.638 1.006 1.00 . A A . 20 TYR CG 1 1 14 7335 1 1 21 TYR CZ C 3.249 -2.415 2.311 1.00 . A A . 20 TYR CZ 1 1 14 7336 1 1 21 TYR H H 7.066 2.282 -0.811 1.00 . A A . 20 TYR H 1 1 14 7337 1 1 21 TYR HA H 4.580 1.060 -1.258 1.00 . A A . 20 TYR HA 1 1 14 7338 1 1 21 TYR HB2 H 6.453 -0.234 -0.426 1.00 . A A . 20 TYR HB2 1 1 14 7339 1 1 21 TYR HB3 H 6.541 0.755 1.028 1.00 . A A . 20 TYR HB3 1 1 14 7340 1 1 21 TYR HD1 H 4.199 -1.529 -0.784 1.00 . A A . 20 TYR HD1 1 1 14 7341 1 1 21 TYR HD2 H 5.482 0.024 2.959 1.00 . A A . 20 TYR HD2 1 1 14 7342 1 1 21 TYR HE1 H 2.701 -3.097 0.376 1.00 . A A . 20 TYR HE1 1 1 14 7343 1 1 21 TYR HE2 H 3.990 -1.537 4.129 1.00 . A A . 20 TYR HE2 1 1 14 7344 1 1 21 TYR HH H 2.489 -4.162 2.577 1.00 . A A . 20 TYR HH 1 1 14 7345 1 1 21 TYR N N 6.109 2.416 -0.986 1.00 . A A . 20 TYR N 1 1 14 7346 1 1 21 TYR O O 2.995 2.001 0.437 1.00 . A A . 20 TYR O 1 1 14 7347 1 1 21 TYR OH O 2.414 -3.285 2.978 1.00 . A A . 20 TYR OH 1 1 14 7348 1 1 22 GLN C C 3.024 4.718 1.653 1.00 . A A . 21 GLN C 1 1 14 7349 1 1 22 GLN CA C 3.973 3.760 2.355 1.00 . A A . 21 GLN CA 1 1 14 7350 1 1 22 GLN CB C 4.884 4.539 3.301 1.00 . A A . 21 GLN CB 1 1 14 7351 1 1 22 GLN CD C 6.748 4.465 4.999 1.00 . A A . 21 GLN CD 1 1 14 7352 1 1 22 GLN CG C 5.767 3.659 4.171 1.00 . A A . 21 GLN CG 1 1 14 7353 1 1 22 GLN H H 5.742 3.119 1.381 1.00 . A A . 21 GLN H 1 1 14 7354 1 1 22 GLN HA H 3.391 3.054 2.928 1.00 . A A . 21 GLN HA 1 1 14 7355 1 1 22 GLN HB2 H 5.524 5.184 2.715 1.00 . A A . 21 GLN HB2 1 1 14 7356 1 1 22 GLN HB3 H 4.272 5.148 3.948 1.00 . A A . 21 GLN HB3 1 1 14 7357 1 1 22 GLN HE21 H 8.081 2.996 4.911 1.00 . A A . 21 GLN HE21 1 1 14 7358 1 1 22 GLN HE22 H 8.571 4.401 5.788 1.00 . A A . 21 GLN HE22 1 1 14 7359 1 1 22 GLN HG2 H 5.137 3.088 4.839 1.00 . A A . 21 GLN HG2 1 1 14 7360 1 1 22 GLN HG3 H 6.320 2.985 3.533 1.00 . A A . 21 GLN HG3 1 1 14 7361 1 1 22 GLN N N 4.763 3.009 1.387 1.00 . A A . 21 GLN N 1 1 14 7362 1 1 22 GLN NE2 N 7.916 3.896 5.259 1.00 . A A . 21 GLN NE2 1 1 14 7363 1 1 22 GLN O O 1.917 4.960 2.125 1.00 . A A . 21 GLN O 1 1 14 7364 1 1 22 GLN OE1 O 6.464 5.596 5.393 1.00 . A A . 21 GLN OE1 1 1 14 7365 1 1 23 ALA C C 1.461 5.463 -0.877 1.00 . A A . 22 ALA C 1 1 14 7366 1 1 23 ALA CA C 2.656 6.177 -0.253 1.00 . A A . 22 ALA CA 1 1 14 7367 1 1 23 ALA CB C 3.507 6.836 -1.327 1.00 . A A . 22 ALA CB 1 1 14 7368 1 1 23 ALA H H 4.366 5.031 0.208 1.00 . A A . 22 ALA H 1 1 14 7369 1 1 23 ALA HA H 2.296 6.945 0.413 1.00 . A A . 22 ALA HA 1 1 14 7370 1 1 23 ALA HB1 H 3.895 6.078 -1.992 1.00 . A A . 22 ALA HB1 1 1 14 7371 1 1 23 ALA HB2 H 4.329 7.360 -0.862 1.00 . A A . 22 ALA HB2 1 1 14 7372 1 1 23 ALA HB3 H 2.905 7.535 -1.888 1.00 . A A . 22 ALA HB3 1 1 14 7373 1 1 23 ALA N N 3.466 5.254 0.524 1.00 . A A . 22 ALA N 1 1 14 7374 1 1 23 ALA O O 0.333 5.959 -0.841 1.00 . A A . 22 ALA O 1 1 14 7375 1 1 24 ASP C C -0.222 2.853 -1.010 1.00 . A A . 23 ASP C 1 1 14 7376 1 1 24 ASP CA C 0.665 3.500 -2.071 1.00 . A A . 23 ASP CA 1 1 14 7377 1 1 24 ASP CB C 1.290 2.433 -2.982 1.00 . A A . 23 ASP CB 1 1 14 7378 1 1 24 ASP CG C 0.267 1.694 -3.827 1.00 . A A . 23 ASP CG 1 1 14 7379 1 1 24 ASP H H 2.633 3.940 -1.413 1.00 . A A . 23 ASP H 1 1 14 7380 1 1 24 ASP HA H 0.062 4.170 -2.668 1.00 . A A . 23 ASP HA 1 1 14 7381 1 1 24 ASP HB2 H 1.997 2.909 -3.648 1.00 . A A . 23 ASP HB2 1 1 14 7382 1 1 24 ASP HB3 H 1.813 1.709 -2.367 1.00 . A A . 23 ASP HB3 1 1 14 7383 1 1 24 ASP N N 1.713 4.288 -1.432 1.00 . A A . 23 ASP N 1 1 14 7384 1 1 24 ASP O O -1.441 2.760 -1.165 1.00 . A A . 23 ASP O 1 1 14 7385 1 1 24 ASP OD1 O 0.511 0.514 -4.160 1.00 . A A . 23 ASP OD1 1 1 14 7386 1 1 24 ASP OD2 O -0.772 2.292 -4.178 1.00 . A A . 23 ASP OD2 1 1 14 7387 1 1 25 LEU C C -1.233 2.903 1.834 1.00 . A A . 24 LEU C 1 1 14 7388 1 1 25 LEU CA C -0.321 1.849 1.205 1.00 . A A . 24 LEU CA 1 1 14 7389 1 1 25 LEU CB C 0.685 1.296 2.231 1.00 . A A . 24 LEU CB 1 1 14 7390 1 1 25 LEU CD1 C -0.582 1.041 4.389 1.00 . A A . 24 LEU CD1 1 1 14 7391 1 1 25 LEU CD2 C -0.789 -0.700 2.615 1.00 . A A . 24 LEU CD2 1 1 14 7392 1 1 25 LEU CG C 0.138 0.310 3.272 1.00 . A A . 24 LEU CG 1 1 14 7393 1 1 25 LEU H H 1.378 2.494 0.130 1.00 . A A . 24 LEU H 1 1 14 7394 1 1 25 LEU HA H -0.931 1.039 0.832 1.00 . A A . 24 LEU HA 1 1 14 7395 1 1 25 LEU HB2 H 1.480 0.802 1.691 1.00 . A A . 24 LEU HB2 1 1 14 7396 1 1 25 LEU HB3 H 1.108 2.135 2.761 1.00 . A A . 24 LEU HB3 1 1 14 7397 1 1 25 LEU HD11 H -0.965 0.326 5.101 1.00 . A A . 24 LEU HD11 1 1 14 7398 1 1 25 LEU HD12 H -1.400 1.611 3.975 1.00 . A A . 24 LEU HD12 1 1 14 7399 1 1 25 LEU HD13 H 0.107 1.709 4.883 1.00 . A A . 24 LEU HD13 1 1 14 7400 1 1 25 LEU HD21 H -1.062 -1.458 3.334 1.00 . A A . 24 LEU HD21 1 1 14 7401 1 1 25 LEU HD22 H -0.285 -1.159 1.777 1.00 . A A . 24 LEU HD22 1 1 14 7402 1 1 25 LEU HD23 H -1.678 -0.196 2.270 1.00 . A A . 24 LEU HD23 1 1 14 7403 1 1 25 LEU HG H 0.964 -0.232 3.710 1.00 . A A . 24 LEU HG 1 1 14 7404 1 1 25 LEU N N 0.399 2.425 0.080 1.00 . A A . 24 LEU N 1 1 14 7405 1 1 25 LEU O O -2.336 2.594 2.276 1.00 . A A . 24 LEU O 1 1 14 7406 1 1 26 ALA C C -2.857 5.398 1.560 1.00 . A A . 25 ALA C 1 1 14 7407 1 1 26 ALA CA C -1.568 5.259 2.357 1.00 . A A . 25 ALA CA 1 1 14 7408 1 1 26 ALA CB C -0.770 6.550 2.301 1.00 . A A . 25 ALA CB 1 1 14 7409 1 1 26 ALA H H 0.140 4.327 1.523 1.00 . A A . 25 ALA H 1 1 14 7410 1 1 26 ALA HA H -1.810 5.055 3.389 1.00 . A A . 25 ALA HA 1 1 14 7411 1 1 26 ALA HB1 H -1.328 7.339 2.781 1.00 . A A . 25 ALA HB1 1 1 14 7412 1 1 26 ALA HB2 H -0.587 6.812 1.269 1.00 . A A . 25 ALA HB2 1 1 14 7413 1 1 26 ALA HB3 H 0.171 6.412 2.811 1.00 . A A . 25 ALA HB3 1 1 14 7414 1 1 26 ALA N N -0.770 4.149 1.850 1.00 . A A . 25 ALA N 1 1 14 7415 1 1 26 ALA O O -3.936 5.588 2.128 1.00 . A A . 25 ALA O 1 1 14 7416 1 1 27 LYS C C -4.814 4.130 -0.314 1.00 . A A . 26 LYS C 1 1 14 7417 1 1 27 LYS CA C -3.899 5.304 -0.636 1.00 . A A . 26 LYS CA 1 1 14 7418 1 1 27 LYS CB C -3.475 5.235 -2.106 1.00 . A A . 26 LYS CB 1 1 14 7419 1 1 27 LYS CD C -4.212 4.992 -4.502 1.00 . A A . 26 LYS CD 1 1 14 7420 1 1 27 LYS CE C -5.405 4.882 -5.440 1.00 . A A . 26 LYS CE 1 1 14 7421 1 1 27 LYS CG C -4.653 5.216 -3.068 1.00 . A A . 26 LYS CG 1 1 14 7422 1 1 27 LYS H H -1.841 5.196 -0.149 1.00 . A A . 26 LYS H 1 1 14 7423 1 1 27 LYS HA H -4.435 6.225 -0.462 1.00 . A A . 26 LYS HA 1 1 14 7424 1 1 27 LYS HB2 H -2.860 6.091 -2.333 1.00 . A A . 26 LYS HB2 1 1 14 7425 1 1 27 LYS HB3 H -2.895 4.338 -2.262 1.00 . A A . 26 LYS HB3 1 1 14 7426 1 1 27 LYS HD2 H -3.596 5.823 -4.813 1.00 . A A . 26 LYS HD2 1 1 14 7427 1 1 27 LYS HD3 H -3.639 4.078 -4.553 1.00 . A A . 26 LYS HD3 1 1 14 7428 1 1 27 LYS HE2 H -5.988 5.789 -5.367 1.00 . A A . 26 LYS HE2 1 1 14 7429 1 1 27 LYS HE3 H -5.042 4.771 -6.451 1.00 . A A . 26 LYS HE3 1 1 14 7430 1 1 27 LYS HG2 H -5.323 4.420 -2.782 1.00 . A A . 26 LYS HG2 1 1 14 7431 1 1 27 LYS HG3 H -5.170 6.162 -3.003 1.00 . A A . 26 LYS HG3 1 1 14 7432 1 1 27 LYS HZ1 H -7.062 3.656 -5.786 1.00 . A A . 26 LYS HZ1 1 1 14 7433 1 1 27 LYS HZ2 H -6.675 3.827 -4.147 1.00 . A A . 26 LYS HZ2 1 1 14 7434 1 1 27 LYS HZ3 H -5.728 2.838 -5.147 1.00 . A A . 26 LYS HZ3 1 1 14 7435 1 1 27 LYS N N -2.737 5.287 0.242 1.00 . A A . 26 LYS N 1 1 14 7436 1 1 27 LYS NZ N -6.277 3.721 -5.107 1.00 . A A . 26 LYS NZ 1 1 14 7437 1 1 27 LYS O O -6.034 4.282 -0.228 1.00 . A A . 26 LYS O 1 1 14 7438 1 1 28 TYR C C -5.754 1.922 1.480 1.00 . A A . 27 TYR C 1 1 14 7439 1 1 28 TYR CA C -4.958 1.755 0.192 1.00 . A A . 27 TYR CA 1 1 14 7440 1 1 28 TYR CB C -4.024 0.544 0.303 1.00 . A A . 27 TYR CB 1 1 14 7441 1 1 28 TYR CD1 C -5.417 -1.474 -0.303 1.00 . A A . 27 TYR CD1 1 1 14 7442 1 1 28 TYR CD2 C -4.762 -1.207 1.973 1.00 . A A . 27 TYR CD2 1 1 14 7443 1 1 28 TYR CE1 C -6.090 -2.634 0.023 1.00 . A A . 27 TYR CE1 1 1 14 7444 1 1 28 TYR CE2 C -5.429 -2.370 2.306 1.00 . A A . 27 TYR CE2 1 1 14 7445 1 1 28 TYR CG C -4.744 -0.739 0.664 1.00 . A A . 27 TYR CG 1 1 14 7446 1 1 28 TYR CZ C -6.094 -3.077 1.328 1.00 . A A . 27 TYR CZ 1 1 14 7447 1 1 28 TYR H H -3.229 2.920 -0.156 1.00 . A A . 27 TYR H 1 1 14 7448 1 1 28 TYR HA H -5.651 1.590 -0.618 1.00 . A A . 27 TYR HA 1 1 14 7449 1 1 28 TYR HB2 H -3.524 0.390 -0.641 1.00 . A A . 27 TYR HB2 1 1 14 7450 1 1 28 TYR HB3 H -3.288 0.739 1.066 1.00 . A A . 27 TYR HB3 1 1 14 7451 1 1 28 TYR HD1 H -5.412 -1.126 -1.325 1.00 . A A . 27 TYR HD1 1 1 14 7452 1 1 28 TYR HD2 H -4.242 -0.648 2.740 1.00 . A A . 27 TYR HD2 1 1 14 7453 1 1 28 TYR HE1 H -6.603 -3.193 -0.745 1.00 . A A . 27 TYR HE1 1 1 14 7454 1 1 28 TYR HE2 H -5.431 -2.718 3.327 1.00 . A A . 27 TYR HE2 1 1 14 7455 1 1 28 TYR HH H -7.224 -4.111 2.497 1.00 . A A . 27 TYR HH 1 1 14 7456 1 1 28 TYR N N -4.208 2.965 -0.107 1.00 . A A . 27 TYR N 1 1 14 7457 1 1 28 TYR O O -6.867 1.426 1.587 1.00 . A A . 27 TYR O 1 1 14 7458 1 1 28 TYR OH O -6.770 -4.233 1.655 1.00 . A A . 27 TYR OH 1 1 14 7459 1 1 29 GLN C C -7.173 3.617 3.486 1.00 . A A . 28 GLN C 1 1 14 7460 1 1 29 GLN CA C -5.859 2.881 3.714 1.00 . A A . 28 GLN CA 1 1 14 7461 1 1 29 GLN CB C -4.979 3.713 4.654 1.00 . A A . 28 GLN CB 1 1 14 7462 1 1 29 GLN CD C -2.885 3.900 6.045 1.00 . A A . 28 GLN CD 1 1 14 7463 1 1 29 GLN CG C -3.691 3.030 5.097 1.00 . A A . 28 GLN CG 1 1 14 7464 1 1 29 GLN H H -4.282 2.991 2.303 1.00 . A A . 28 GLN H 1 1 14 7465 1 1 29 GLN HA H -6.066 1.925 4.171 1.00 . A A . 28 GLN HA 1 1 14 7466 1 1 29 GLN HB2 H -4.714 4.634 4.153 1.00 . A A . 28 GLN HB2 1 1 14 7467 1 1 29 GLN HB3 H -5.553 3.954 5.538 1.00 . A A . 28 GLN HB3 1 1 14 7468 1 1 29 GLN HE21 H -1.183 3.139 5.368 1.00 . A A . 28 GLN HE21 1 1 14 7469 1 1 29 GLN HE22 H -1.027 4.341 6.598 1.00 . A A . 28 GLN HE22 1 1 14 7470 1 1 29 GLN HG2 H -3.938 2.104 5.601 1.00 . A A . 28 GLN HG2 1 1 14 7471 1 1 29 GLN HG3 H -3.088 2.814 4.224 1.00 . A A . 28 GLN HG3 1 1 14 7472 1 1 29 GLN N N -5.183 2.633 2.446 1.00 . A A . 28 GLN N 1 1 14 7473 1 1 29 GLN NE2 N -1.568 3.778 5.999 1.00 . A A . 28 GLN NE2 1 1 14 7474 1 1 29 GLN O O -8.210 3.240 4.035 1.00 . A A . 28 GLN O 1 1 14 7475 1 1 29 GLN OE1 O -3.445 4.686 6.808 1.00 . A A . 28 GLN OE1 1 1 14 7476 1 1 30 LYS C C -9.333 4.659 1.604 1.00 . A A . 29 LYS C 1 1 14 7477 1 1 30 LYS CA C -8.300 5.472 2.381 1.00 . A A . 29 LYS CA 1 1 14 7478 1 1 30 LYS CB C -7.916 6.740 1.612 1.00 . A A . 29 LYS CB 1 1 14 7479 1 1 30 LYS CD C -8.601 9.082 0.965 1.00 . A A . 29 LYS CD 1 1 14 7480 1 1 30 LYS CE C -7.950 9.041 -0.409 1.00 . A A . 29 LYS CE 1 1 14 7481 1 1 30 LYS CG C -9.076 7.707 1.419 1.00 . A A . 29 LYS CG 1 1 14 7482 1 1 30 LYS H H -6.268 4.901 2.251 1.00 . A A . 29 LYS H 1 1 14 7483 1 1 30 LYS HA H -8.735 5.759 3.326 1.00 . A A . 29 LYS HA 1 1 14 7484 1 1 30 LYS HB2 H -7.133 7.252 2.153 1.00 . A A . 29 LYS HB2 1 1 14 7485 1 1 30 LYS HB3 H -7.546 6.457 0.636 1.00 . A A . 29 LYS HB3 1 1 14 7486 1 1 30 LYS HD2 H -9.450 9.748 0.925 1.00 . A A . 29 LYS HD2 1 1 14 7487 1 1 30 LYS HD3 H -7.885 9.456 1.682 1.00 . A A . 29 LYS HD3 1 1 14 7488 1 1 30 LYS HE2 H -7.517 10.007 -0.616 1.00 . A A . 29 LYS HE2 1 1 14 7489 1 1 30 LYS HE3 H -7.169 8.294 -0.401 1.00 . A A . 29 LYS HE3 1 1 14 7490 1 1 30 LYS HG2 H -9.744 7.306 0.674 1.00 . A A . 29 LYS HG2 1 1 14 7491 1 1 30 LYS HG3 H -9.603 7.811 2.357 1.00 . A A . 29 LYS HG3 1 1 14 7492 1 1 30 LYS HZ1 H -8.446 8.693 -2.405 1.00 . A A . 29 LYS HZ1 1 1 14 7493 1 1 30 LYS HZ2 H -9.681 9.419 -1.512 1.00 . A A . 29 LYS HZ2 1 1 14 7494 1 1 30 LYS HZ3 H -9.348 7.777 -1.307 1.00 . A A . 29 LYS HZ3 1 1 14 7495 1 1 30 LYS N N -7.121 4.667 2.672 1.00 . A A . 29 LYS N 1 1 14 7496 1 1 30 LYS NZ N -8.923 8.710 -1.481 1.00 . A A . 29 LYS NZ 1 1 14 7497 1 1 30 LYS O O -10.521 4.680 1.927 1.00 . A A . 29 LYS O 1 1 14 7498 1 1 31 ASP C C -10.362 1.985 0.687 1.00 . A A . 30 ASP C 1 1 14 7499 1 1 31 ASP CA C -9.757 3.071 -0.195 1.00 . A A . 30 ASP CA 1 1 14 7500 1 1 31 ASP CB C -9.009 2.422 -1.366 1.00 . A A . 30 ASP CB 1 1 14 7501 1 1 31 ASP CG C -8.749 3.374 -2.518 1.00 . A A . 30 ASP CG 1 1 14 7502 1 1 31 ASP H H -7.919 3.983 0.357 1.00 . A A . 30 ASP H 1 1 14 7503 1 1 31 ASP HA H -10.555 3.685 -0.585 1.00 . A A . 30 ASP HA 1 1 14 7504 1 1 31 ASP HB2 H -8.056 2.051 -1.014 1.00 . A A . 30 ASP HB2 1 1 14 7505 1 1 31 ASP HB3 H -9.598 1.596 -1.735 1.00 . A A . 30 ASP HB3 1 1 14 7506 1 1 31 ASP N N -8.873 3.935 0.588 1.00 . A A . 30 ASP N 1 1 14 7507 1 1 31 ASP O O -11.541 1.648 0.563 1.00 . A A . 30 ASP O 1 1 14 7508 1 1 31 ASP OD1 O -7.583 3.786 -2.701 1.00 . A A . 30 ASP OD1 1 1 14 7509 1 1 31 ASP OD2 O -9.711 3.738 -3.230 1.00 . A A . 30 ASP OD2 1 1 14 7510 1 1 32 LEU C C -11.030 0.971 3.459 1.00 . A A . 31 LEU C 1 1 14 7511 1 1 32 LEU CA C -9.971 0.416 2.519 1.00 . A A . 31 LEU CA 1 1 14 7512 1 1 32 LEU CB C -8.771 -0.086 3.330 1.00 . A A . 31 LEU CB 1 1 14 7513 1 1 32 LEU CD1 C -9.421 -2.513 3.475 1.00 . A A . 31 LEU CD1 1 1 14 7514 1 1 32 LEU CD2 C -7.818 -1.525 5.125 1.00 . A A . 31 LEU CD2 1 1 14 7515 1 1 32 LEU CG C -9.041 -1.267 4.263 1.00 . A A . 31 LEU CG 1 1 14 7516 1 1 32 LEU H H -8.603 1.741 1.597 1.00 . A A . 31 LEU H 1 1 14 7517 1 1 32 LEU HA H -10.393 -0.402 1.956 1.00 . A A . 31 LEU HA 1 1 14 7518 1 1 32 LEU HB2 H -7.989 -0.372 2.642 1.00 . A A . 31 LEU HB2 1 1 14 7519 1 1 32 LEU HB3 H -8.408 0.735 3.932 1.00 . A A . 31 LEU HB3 1 1 14 7520 1 1 32 LEU HD11 H -8.647 -2.738 2.756 1.00 . A A . 31 LEU HD11 1 1 14 7521 1 1 32 LEU HD12 H -10.355 -2.345 2.959 1.00 . A A . 31 LEU HD12 1 1 14 7522 1 1 32 LEU HD13 H -9.533 -3.345 4.154 1.00 . A A . 31 LEU HD13 1 1 14 7523 1 1 32 LEU HD21 H -7.995 -2.381 5.757 1.00 . A A . 31 LEU HD21 1 1 14 7524 1 1 32 LEU HD22 H -7.623 -0.657 5.737 1.00 . A A . 31 LEU HD22 1 1 14 7525 1 1 32 LEU HD23 H -6.966 -1.716 4.490 1.00 . A A . 31 LEU HD23 1 1 14 7526 1 1 32 LEU HG H -9.864 -1.019 4.915 1.00 . A A . 31 LEU HG 1 1 14 7527 1 1 32 LEU N N -9.540 1.443 1.577 1.00 . A A . 31 LEU N 1 1 14 7528 1 1 32 LEU O O -12.021 0.304 3.760 1.00 . A A . 31 LEU O 1 1 14 7529 1 1 33 ALA C C -13.076 3.082 4.124 1.00 . A A . 32 ALA C 1 1 14 7530 1 1 33 ALA CA C -11.737 2.872 4.806 1.00 . A A . 32 ALA CA 1 1 14 7531 1 1 33 ALA CB C -11.162 4.205 5.249 1.00 . A A . 32 ALA CB 1 1 14 7532 1 1 33 ALA H H -9.988 2.664 3.646 1.00 . A A . 32 ALA H 1 1 14 7533 1 1 33 ALA HA H -11.874 2.255 5.679 1.00 . A A . 32 ALA HA 1 1 14 7534 1 1 33 ALA HB1 H -11.041 4.844 4.387 1.00 . A A . 32 ALA HB1 1 1 14 7535 1 1 33 ALA HB2 H -10.202 4.045 5.717 1.00 . A A . 32 ALA HB2 1 1 14 7536 1 1 33 ALA HB3 H -11.835 4.671 5.952 1.00 . A A . 32 ALA HB3 1 1 14 7537 1 1 33 ALA N N -10.808 2.196 3.916 1.00 . A A . 32 ALA N 1 1 14 7538 1 1 33 ALA O O -14.127 2.823 4.703 1.00 . A A . 32 ALA O 1 1 14 7539 1 1 34 ASP C C -14.977 2.518 1.807 1.00 . A A . 33 ASP C 1 1 14 7540 1 1 34 ASP CA C -14.229 3.813 2.117 1.00 . A A . 33 ASP CA 1 1 14 7541 1 1 34 ASP CB C -13.885 4.546 0.819 1.00 . A A . 33 ASP CB 1 1 14 7542 1 1 34 ASP CG C -15.119 5.048 0.097 1.00 . A A . 33 ASP CG 1 1 14 7543 1 1 34 ASP H H -12.143 3.708 2.473 1.00 . A A . 33 ASP H 1 1 14 7544 1 1 34 ASP HA H -14.860 4.445 2.720 1.00 . A A . 33 ASP HA 1 1 14 7545 1 1 34 ASP HB2 H -13.255 5.392 1.044 1.00 . A A . 33 ASP HB2 1 1 14 7546 1 1 34 ASP HB3 H -13.355 3.872 0.161 1.00 . A A . 33 ASP HB3 1 1 14 7547 1 1 34 ASP N N -13.021 3.540 2.883 1.00 . A A . 33 ASP N 1 1 14 7548 1 1 34 ASP O O -16.203 2.511 1.679 1.00 . A A . 33 ASP O 1 1 14 7549 1 1 34 ASP OD1 O -15.539 4.403 -0.887 1.00 . A A . 33 ASP OD1 1 1 14 7550 1 1 34 ASP OD2 O -15.678 6.083 0.506 1.00 . A A . 33 ASP OD2 1 1 14 7551 1 1 35 TYR C C -15.460 -0.456 2.697 1.00 . A A . 34 TYR C 1 1 14 7552 1 1 35 TYR CA C -14.804 0.112 1.439 1.00 . A A . 34 TYR CA 1 1 14 7553 1 1 35 TYR CB C -13.717 -0.842 0.929 1.00 . A A . 34 TYR CB 1 1 14 7554 1 1 35 TYR CD1 C -15.036 -2.472 -0.475 1.00 . A A . 34 TYR CD1 1 1 14 7555 1 1 35 TYR CD2 C -13.857 -3.315 1.414 1.00 . A A . 34 TYR CD2 1 1 14 7556 1 1 35 TYR CE1 C -15.490 -3.743 -0.764 1.00 . A A . 34 TYR CE1 1 1 14 7557 1 1 35 TYR CE2 C -14.305 -4.588 1.132 1.00 . A A . 34 TYR CE2 1 1 14 7558 1 1 35 TYR CG C -14.214 -2.236 0.617 1.00 . A A . 34 TYR CG 1 1 14 7559 1 1 35 TYR CZ C -15.123 -4.799 0.043 1.00 . A A . 34 TYR CZ 1 1 14 7560 1 1 35 TYR H H -13.257 1.506 1.812 1.00 . A A . 34 TYR H 1 1 14 7561 1 1 35 TYR HA H -15.556 0.227 0.675 1.00 . A A . 34 TYR HA 1 1 14 7562 1 1 35 TYR HB2 H -13.288 -0.438 0.026 1.00 . A A . 34 TYR HB2 1 1 14 7563 1 1 35 TYR HB3 H -12.946 -0.926 1.680 1.00 . A A . 34 TYR HB3 1 1 14 7564 1 1 35 TYR HD1 H -15.321 -1.644 -1.105 1.00 . A A . 34 TYR HD1 1 1 14 7565 1 1 35 TYR HD2 H -13.215 -3.148 2.267 1.00 . A A . 34 TYR HD2 1 1 14 7566 1 1 35 TYR HE1 H -16.124 -3.905 -1.621 1.00 . A A . 34 TYR HE1 1 1 14 7567 1 1 35 TYR HE2 H -14.015 -5.411 1.764 1.00 . A A . 34 TYR HE2 1 1 14 7568 1 1 35 TYR HH H -15.648 -6.182 -1.196 1.00 . A A . 34 TYR HH 1 1 14 7569 1 1 35 TYR N N -14.229 1.426 1.705 1.00 . A A . 34 TYR N 1 1 14 7570 1 1 35 TYR O O -16.472 -1.153 2.626 1.00 . A A . 34 TYR O 1 1 14 7571 1 1 35 TYR OH O -15.571 -6.071 -0.239 1.00 . A A . 34 TYR OH 1 1 14 7572 1 1 36 NH2 HN1 H -14.079 0.410 3.831 1.00 . A A . 35 NH2 HN1 1 1 14 7573 1 1 36 NH2 HN2 H -15.282 -0.502 4.673 1.00 . A A . 35 NH2 HN2 1 1 14 7574 1 1 36 NH2 N N -14.882 -0.153 3.849 1.00 . A A . 35 NH2 N 1 1 15 7575 1 1 1 ACE C C -13.378 -3.120 -5.129 1.00 . A A . 0 ACE C 1 1 15 7576 1 1 1 ACE CH3 C -14.148 -1.940 -4.601 1.00 . A A . 0 ACE CH3 1 1 15 7577 1 1 1 ACE H1 H -14.944 -2.305 -3.962 1.00 . A A . 0 ACE H1 1 1 15 7578 1 1 1 ACE H2 H -14.572 -1.395 -5.424 1.00 . A A . 0 ACE H2 1 1 15 7579 1 1 1 ACE H3 H -13.466 -1.298 -4.053 1.00 . A A . 0 ACE H3 1 1 15 7580 1 1 1 ACE O O -12.916 -3.112 -6.270 1.00 . A A . 0 ACE O 1 1 15 7581 1 1 2 PRO C C -10.972 -3.761 -3.362 1.00 . A A . 1 PRO C 1 1 15 7582 1 1 2 PRO CA C -12.434 -4.085 -3.071 1.00 . A A . 1 PRO CA 1 1 15 7583 1 1 2 PRO CB C -12.559 -5.490 -2.463 1.00 . A A . 1 PRO CB 1 1 15 7584 1 1 2 PRO CD C -13.782 -5.501 -4.522 1.00 . A A . 1 PRO CD 1 1 15 7585 1 1 2 PRO CG C -13.708 -6.133 -3.158 1.00 . A A . 1 PRO CG 1 1 15 7586 1 1 2 PRO HA H -12.839 -3.351 -2.388 1.00 . A A . 1 PRO HA 1 1 15 7587 1 1 2 PRO HB2 H -11.645 -6.045 -2.633 1.00 . A A . 1 PRO HB2 1 1 15 7588 1 1 2 PRO HB3 H -12.760 -5.421 -1.406 1.00 . A A . 1 PRO HB3 1 1 15 7589 1 1 2 PRO HD2 H -13.185 -6.058 -5.233 1.00 . A A . 1 PRO HD2 1 1 15 7590 1 1 2 PRO HD3 H -14.807 -5.437 -4.859 1.00 . A A . 1 PRO HD3 1 1 15 7591 1 1 2 PRO HG2 H -13.533 -7.197 -3.240 1.00 . A A . 1 PRO HG2 1 1 15 7592 1 1 2 PRO HG3 H -14.620 -5.943 -2.615 1.00 . A A . 1 PRO HG3 1 1 15 7593 1 1 2 PRO N N -13.220 -4.162 -4.304 1.00 . A A . 1 PRO N 1 1 15 7594 1 1 2 PRO O O -10.361 -4.377 -4.238 1.00 . A A . 1 PRO O 1 1 15 7595 1 1 3 PRO C C -8.022 -3.514 -2.537 1.00 . A A . 2 PRO C 1 1 15 7596 1 1 3 PRO CA C -8.997 -2.388 -2.855 1.00 . A A . 2 PRO CA 1 1 15 7597 1 1 3 PRO CB C -8.799 -1.215 -1.893 1.00 . A A . 2 PRO CB 1 1 15 7598 1 1 3 PRO CD C -11.026 -2.016 -1.559 1.00 . A A . 2 PRO CD 1 1 15 7599 1 1 3 PRO CG C -9.858 -1.370 -0.862 1.00 . A A . 2 PRO CG 1 1 15 7600 1 1 3 PRO HA H -8.841 -2.057 -3.870 1.00 . A A . 2 PRO HA 1 1 15 7601 1 1 3 PRO HB2 H -7.812 -1.270 -1.448 1.00 . A A . 2 PRO HB2 1 1 15 7602 1 1 3 PRO HB3 H -8.924 -0.280 -2.418 1.00 . A A . 2 PRO HB3 1 1 15 7603 1 1 3 PRO HD2 H -11.560 -2.663 -0.879 1.00 . A A . 2 PRO HD2 1 1 15 7604 1 1 3 PRO HD3 H -11.689 -1.265 -1.964 1.00 . A A . 2 PRO HD3 1 1 15 7605 1 1 3 PRO HG2 H -9.496 -2.001 -0.062 1.00 . A A . 2 PRO HG2 1 1 15 7606 1 1 3 PRO HG3 H -10.144 -0.402 -0.481 1.00 . A A . 2 PRO HG3 1 1 15 7607 1 1 3 PRO N N -10.388 -2.790 -2.638 1.00 . A A . 2 PRO N 1 1 15 7608 1 1 3 PRO O O -8.203 -4.257 -1.568 1.00 . A A . 2 PRO O 1 1 15 7609 1 1 4 THR C C -4.826 -4.203 -2.403 1.00 . A A . 3 THR C 1 1 15 7610 1 1 4 THR CA C -6.022 -4.698 -3.203 1.00 . A A . 3 THR CA 1 1 15 7611 1 1 4 THR CB C -5.543 -5.196 -4.575 1.00 . A A . 3 THR CB 1 1 15 7612 1 1 4 THR CG2 C -4.763 -6.493 -4.441 1.00 . A A . 3 THR CG2 1 1 15 7613 1 1 4 THR H H -6.895 -3.007 -4.099 1.00 . A A . 3 THR H 1 1 15 7614 1 1 4 THR HA H -6.484 -5.520 -2.680 1.00 . A A . 3 THR HA 1 1 15 7615 1 1 4 THR HB H -4.900 -4.447 -5.009 1.00 . A A . 3 THR HB 1 1 15 7616 1 1 4 THR HG1 H -6.847 -4.589 -5.929 1.00 . A A . 3 THR HG1 1 1 15 7617 1 1 4 THR HG21 H -4.407 -6.801 -5.412 1.00 . A A . 3 THR HG21 1 1 15 7618 1 1 4 THR HG22 H -5.405 -7.259 -4.033 1.00 . A A . 3 THR HG22 1 1 15 7619 1 1 4 THR HG23 H -3.922 -6.339 -3.780 1.00 . A A . 3 THR HG23 1 1 15 7620 1 1 4 THR N N -6.999 -3.643 -3.360 1.00 . A A . 3 THR N 1 1 15 7621 1 1 4 THR O O -4.343 -3.090 -2.627 1.00 . A A . 3 THR O 1 1 15 7622 1 1 4 THR OG1 O -6.673 -5.401 -5.434 1.00 . A A . 3 THR OG1 1 1 15 7623 1 1 5 LYS C C -1.980 -4.566 -1.642 1.00 . A A . 4 LYS C 1 1 15 7624 1 1 5 LYS CA C -3.173 -4.698 -0.699 1.00 . A A . 4 LYS CA 1 1 15 7625 1 1 5 LYS CB C -2.906 -5.771 0.358 1.00 . A A . 4 LYS CB 1 1 15 7626 1 1 5 LYS CD C -3.623 -6.833 2.520 1.00 . A A . 4 LYS CD 1 1 15 7627 1 1 5 LYS CE C -4.648 -6.817 3.642 1.00 . A A . 4 LYS CE 1 1 15 7628 1 1 5 LYS CG C -3.959 -5.812 1.451 1.00 . A A . 4 LYS CG 1 1 15 7629 1 1 5 LYS H H -4.841 -5.861 -1.286 1.00 . A A . 4 LYS H 1 1 15 7630 1 1 5 LYS HA H -3.342 -3.751 -0.210 1.00 . A A . 4 LYS HA 1 1 15 7631 1 1 5 LYS HB2 H -2.882 -6.739 -0.125 1.00 . A A . 4 LYS HB2 1 1 15 7632 1 1 5 LYS HB3 H -1.946 -5.580 0.819 1.00 . A A . 4 LYS HB3 1 1 15 7633 1 1 5 LYS HD2 H -3.604 -7.817 2.074 1.00 . A A . 4 LYS HD2 1 1 15 7634 1 1 5 LYS HD3 H -2.651 -6.600 2.927 1.00 . A A . 4 LYS HD3 1 1 15 7635 1 1 5 LYS HE2 H -4.672 -5.828 4.076 1.00 . A A . 4 LYS HE2 1 1 15 7636 1 1 5 LYS HE3 H -5.619 -7.050 3.230 1.00 . A A . 4 LYS HE3 1 1 15 7637 1 1 5 LYS HG2 H -4.022 -4.838 1.912 1.00 . A A . 4 LYS HG2 1 1 15 7638 1 1 5 LYS HG3 H -4.912 -6.064 1.010 1.00 . A A . 4 LYS HG3 1 1 15 7639 1 1 5 LYS HZ1 H -4.256 -8.756 4.305 1.00 . A A . 4 LYS HZ1 1 1 15 7640 1 1 5 LYS HZ2 H -5.074 -7.801 5.433 1.00 . A A . 4 LYS HZ2 1 1 15 7641 1 1 5 LYS HZ3 H -3.423 -7.559 5.163 1.00 . A A . 4 LYS HZ3 1 1 15 7642 1 1 5 LYS N N -4.367 -5.019 -1.464 1.00 . A A . 4 LYS N 1 1 15 7643 1 1 5 LYS NZ N -4.326 -7.802 4.708 1.00 . A A . 4 LYS NZ 1 1 15 7644 1 1 5 LYS O O -1.933 -5.241 -2.674 1.00 . A A . 4 LYS O 1 1 15 7645 1 1 6 PRO C C 0.924 -4.654 -2.557 1.00 . A A . 5 PRO C 1 1 15 7646 1 1 6 PRO CA C 0.110 -3.413 -2.218 1.00 . A A . 5 PRO CA 1 1 15 7647 1 1 6 PRO CB C 0.965 -2.411 -1.441 1.00 . A A . 5 PRO CB 1 1 15 7648 1 1 6 PRO CD C -0.912 -2.931 -0.064 1.00 . A A . 5 PRO CD 1 1 15 7649 1 1 6 PRO CG C 0.060 -1.836 -0.413 1.00 . A A . 5 PRO CG 1 1 15 7650 1 1 6 PRO HA H -0.233 -2.957 -3.132 1.00 . A A . 5 PRO HA 1 1 15 7651 1 1 6 PRO HB2 H 1.802 -2.922 -0.982 1.00 . A A . 5 PRO HB2 1 1 15 7652 1 1 6 PRO HB3 H 1.316 -1.632 -2.102 1.00 . A A . 5 PRO HB3 1 1 15 7653 1 1 6 PRO HD2 H -0.518 -3.547 0.736 1.00 . A A . 5 PRO HD2 1 1 15 7654 1 1 6 PRO HD3 H -1.871 -2.515 0.212 1.00 . A A . 5 PRO HD3 1 1 15 7655 1 1 6 PRO HG2 H 0.637 -1.542 0.456 1.00 . A A . 5 PRO HG2 1 1 15 7656 1 1 6 PRO HG3 H -0.471 -0.989 -0.824 1.00 . A A . 5 PRO HG3 1 1 15 7657 1 1 6 PRO N N -1.009 -3.697 -1.320 1.00 . A A . 5 PRO N 1 1 15 7658 1 1 6 PRO O O 1.360 -5.392 -1.672 1.00 . A A . 5 PRO O 1 1 15 7659 1 1 7 THR C C 3.394 -5.658 -4.206 1.00 . A A . 6 THR C 1 1 15 7660 1 1 7 THR CA C 1.909 -5.987 -4.337 1.00 . A A . 6 THR CA 1 1 15 7661 1 1 7 THR CB C 1.567 -6.276 -5.808 1.00 . A A . 6 THR CB 1 1 15 7662 1 1 7 THR CG2 C 2.117 -7.625 -6.244 1.00 . A A . 6 THR CG2 1 1 15 7663 1 1 7 THR H H 0.699 -4.269 -4.498 1.00 . A A . 6 THR H 1 1 15 7664 1 1 7 THR HA H 1.680 -6.859 -3.748 1.00 . A A . 6 THR HA 1 1 15 7665 1 1 7 THR HB H 2.006 -5.506 -6.421 1.00 . A A . 6 THR HB 1 1 15 7666 1 1 7 THR HG1 H -0.123 -7.028 -6.506 1.00 . A A . 6 THR HG1 1 1 15 7667 1 1 7 THR HG21 H 3.192 -7.625 -6.139 1.00 . A A . 6 THR HG21 1 1 15 7668 1 1 7 THR HG22 H 1.856 -7.802 -7.276 1.00 . A A . 6 THR HG22 1 1 15 7669 1 1 7 THR HG23 H 1.694 -8.401 -5.625 1.00 . A A . 6 THR HG23 1 1 15 7670 1 1 7 THR N N 1.114 -4.874 -3.848 1.00 . A A . 6 THR N 1 1 15 7671 1 1 7 THR O O 4.261 -6.528 -4.315 1.00 . A A . 6 THR O 1 1 15 7672 1 1 7 THR OG1 O 0.144 -6.261 -5.981 1.00 . A A . 6 THR OG1 1 1 15 7673 1 1 8 LYS C C 5.638 -4.503 -2.517 1.00 . A A . 7 LYS C 1 1 15 7674 1 1 8 LYS CA C 5.015 -3.888 -3.770 1.00 . A A . 7 LYS CA 1 1 15 7675 1 1 8 LYS CB C 4.986 -2.363 -3.635 1.00 . A A . 7 LYS CB 1 1 15 7676 1 1 8 LYS CD C 4.195 -0.154 -4.525 1.00 . A A . 7 LYS CD 1 1 15 7677 1 1 8 LYS CE C 3.494 0.579 -5.660 1.00 . A A . 7 LYS CE 1 1 15 7678 1 1 8 LYS CG C 4.354 -1.643 -4.816 1.00 . A A . 7 LYS CG 1 1 15 7679 1 1 8 LYS H H 2.919 -3.754 -3.907 1.00 . A A . 7 LYS H 1 1 15 7680 1 1 8 LYS HA H 5.603 -4.160 -4.632 1.00 . A A . 7 LYS HA 1 1 15 7681 1 1 8 LYS HB2 H 4.425 -2.108 -2.750 1.00 . A A . 7 LYS HB2 1 1 15 7682 1 1 8 LYS HB3 H 5.998 -2.005 -3.521 1.00 . A A . 7 LYS HB3 1 1 15 7683 1 1 8 LYS HD2 H 3.613 -0.035 -3.622 1.00 . A A . 7 LYS HD2 1 1 15 7684 1 1 8 LYS HD3 H 5.175 0.279 -4.380 1.00 . A A . 7 LYS HD3 1 1 15 7685 1 1 8 LYS HE2 H 3.420 1.625 -5.402 1.00 . A A . 7 LYS HE2 1 1 15 7686 1 1 8 LYS HE3 H 4.082 0.473 -6.558 1.00 . A A . 7 LYS HE3 1 1 15 7687 1 1 8 LYS HG2 H 4.988 -1.767 -5.684 1.00 . A A . 7 LYS HG2 1 1 15 7688 1 1 8 LYS HG3 H 3.379 -2.071 -5.012 1.00 . A A . 7 LYS HG3 1 1 15 7689 1 1 8 LYS HZ1 H 2.173 -0.947 -6.209 1.00 . A A . 7 LYS HZ1 1 1 15 7690 1 1 8 LYS HZ2 H 1.661 0.599 -6.660 1.00 . A A . 7 LYS HZ2 1 1 15 7691 1 1 8 LYS HZ3 H 1.548 0.112 -5.042 1.00 . A A . 7 LYS HZ3 1 1 15 7692 1 1 8 LYS N N 3.663 -4.384 -3.964 1.00 . A A . 7 LYS N 1 1 15 7693 1 1 8 LYS NZ N 2.126 0.049 -5.911 1.00 . A A . 7 LYS NZ 1 1 15 7694 1 1 8 LYS O O 4.927 -4.839 -1.567 1.00 . A A . 7 LYS O 1 1 15 7695 1 1 9 PRO C C 7.678 -4.171 -0.192 1.00 . A A . 8 PRO C 1 1 15 7696 1 1 9 PRO CA C 7.685 -5.179 -1.335 1.00 . A A . 8 PRO CA 1 1 15 7697 1 1 9 PRO CB C 9.109 -5.397 -1.846 1.00 . A A . 8 PRO CB 1 1 15 7698 1 1 9 PRO CD C 7.870 -4.406 -3.638 1.00 . A A . 8 PRO CD 1 1 15 7699 1 1 9 PRO CG C 9.243 -4.506 -3.028 1.00 . A A . 8 PRO CG 1 1 15 7700 1 1 9 PRO HA H 7.275 -6.116 -0.991 1.00 . A A . 8 PRO HA 1 1 15 7701 1 1 9 PRO HB2 H 9.818 -5.123 -1.075 1.00 . A A . 8 PRO HB2 1 1 15 7702 1 1 9 PRO HB3 H 9.247 -6.424 -2.136 1.00 . A A . 8 PRO HB3 1 1 15 7703 1 1 9 PRO HD2 H 7.699 -3.413 -4.034 1.00 . A A . 8 PRO HD2 1 1 15 7704 1 1 9 PRO HD3 H 7.743 -5.149 -4.414 1.00 . A A . 8 PRO HD3 1 1 15 7705 1 1 9 PRO HG2 H 9.588 -3.532 -2.708 1.00 . A A . 8 PRO HG2 1 1 15 7706 1 1 9 PRO HG3 H 9.935 -4.936 -3.738 1.00 . A A . 8 PRO HG3 1 1 15 7707 1 1 9 PRO N N 6.967 -4.677 -2.507 1.00 . A A . 8 PRO N 1 1 15 7708 1 1 9 PRO O O 7.880 -2.973 -0.406 1.00 . A A . 8 PRO O 1 1 15 7709 1 1 10 GLY C C 7.996 -4.346 3.405 1.00 . A A . 9 GLY C 1 1 15 7710 1 1 10 GLY CA C 7.365 -3.767 2.158 1.00 . A A . 9 GLY CA 1 1 15 7711 1 1 10 GLY H H 7.318 -5.620 1.133 1.00 . A A . 9 GLY H 1 1 15 7712 1 1 10 GLY HA2 H 7.867 -2.844 1.914 1.00 . A A . 9 GLY HA2 1 1 15 7713 1 1 10 GLY HA3 H 6.327 -3.556 2.361 1.00 . A A . 9 GLY HA3 1 1 15 7714 1 1 10 GLY N N 7.443 -4.653 1.017 1.00 . A A . 9 GLY N 1 1 15 7715 1 1 10 GLY O O 7.742 -3.872 4.514 1.00 . A A . 9 GLY O 1 1 15 7716 1 1 11 ASP C C 10.972 -5.652 4.363 1.00 . A A . 10 ASP C 1 1 15 7717 1 1 11 ASP CA C 9.493 -6.005 4.352 1.00 . A A . 10 ASP CA 1 1 15 7718 1 1 11 ASP CB C 9.323 -7.528 4.303 1.00 . A A . 10 ASP CB 1 1 15 7719 1 1 11 ASP CG C 7.882 -7.964 4.477 1.00 . A A . 10 ASP CG 1 1 15 7720 1 1 11 ASP H H 8.991 -5.687 2.316 1.00 . A A . 10 ASP H 1 1 15 7721 1 1 11 ASP HA H 9.044 -5.632 5.257 1.00 . A A . 10 ASP HA 1 1 15 7722 1 1 11 ASP HB2 H 9.675 -7.892 3.351 1.00 . A A . 10 ASP HB2 1 1 15 7723 1 1 11 ASP HB3 H 9.912 -7.972 5.091 1.00 . A A . 10 ASP HB3 1 1 15 7724 1 1 11 ASP N N 8.822 -5.363 3.227 1.00 . A A . 10 ASP N 1 1 15 7725 1 1 11 ASP O O 11.426 -4.861 5.188 1.00 . A A . 10 ASP O 1 1 15 7726 1 1 11 ASP OD1 O 7.379 -7.928 5.619 1.00 . A A . 10 ASP OD1 1 1 15 7727 1 1 11 ASP OD2 O 7.247 -8.347 3.472 1.00 . A A . 10 ASP OD2 1 1 15 7728 1 1 12 ASN C C 13.465 -5.051 2.178 1.00 . A A . 11 ASN C 1 1 15 7729 1 1 12 ASN CA C 13.152 -5.994 3.330 1.00 . A A . 11 ASN CA 1 1 15 7730 1 1 12 ASN CB C 13.906 -7.315 3.135 1.00 . A A . 11 ASN CB 1 1 15 7731 1 1 12 ASN CG C 13.680 -8.298 4.270 1.00 . A A . 11 ASN CG 1 1 15 7732 1 1 12 ASN H H 11.279 -6.815 2.773 1.00 . A A . 11 ASN H 1 1 15 7733 1 1 12 ASN HA H 13.475 -5.536 4.252 1.00 . A A . 11 ASN HA 1 1 15 7734 1 1 12 ASN HB2 H 13.579 -7.775 2.215 1.00 . A A . 11 ASN HB2 1 1 15 7735 1 1 12 ASN HB3 H 14.964 -7.107 3.069 1.00 . A A . 11 ASN HB3 1 1 15 7736 1 1 12 ASN HD21 H 12.187 -9.149 3.277 1.00 . A A . 11 ASN HD21 1 1 15 7737 1 1 12 ASN HD22 H 12.540 -9.824 4.827 1.00 . A A . 11 ASN HD22 1 1 15 7738 1 1 12 ASN N N 11.712 -6.223 3.424 1.00 . A A . 11 ASN N 1 1 15 7739 1 1 12 ASN ND2 N 12.705 -9.178 4.109 1.00 . A A . 11 ASN ND2 1 1 15 7740 1 1 12 ASN O O 14.578 -5.034 1.653 1.00 . A A . 11 ASN O 1 1 15 7741 1 1 12 ASN OD1 O 14.388 -8.277 5.278 1.00 . A A . 11 ASN OD1 1 1 15 7742 1 1 13 ALA C C 13.510 -2.144 1.136 1.00 . A A . 12 ALA C 1 1 15 7743 1 1 13 ALA CA C 12.627 -3.308 0.713 1.00 . A A . 12 ALA CA 1 1 15 7744 1 1 13 ALA CB C 11.268 -2.803 0.261 1.00 . A A . 12 ALA CB 1 1 15 7745 1 1 13 ALA H H 11.617 -4.324 2.259 1.00 . A A . 12 ALA H 1 1 15 7746 1 1 13 ALA HA H 13.092 -3.815 -0.117 1.00 . A A . 12 ALA HA 1 1 15 7747 1 1 13 ALA HB1 H 10.642 -3.642 -0.002 1.00 . A A . 12 ALA HB1 1 1 15 7748 1 1 13 ALA HB2 H 11.392 -2.160 -0.597 1.00 . A A . 12 ALA HB2 1 1 15 7749 1 1 13 ALA HB3 H 10.806 -2.247 1.066 1.00 . A A . 12 ALA HB3 1 1 15 7750 1 1 13 ALA N N 12.474 -4.263 1.796 1.00 . A A . 12 ALA N 1 1 15 7751 1 1 13 ALA O O 13.680 -1.880 2.326 1.00 . A A . 12 ALA O 1 1 15 7752 1 1 14 THR C C 14.099 0.826 1.024 1.00 . A A . 13 THR C 1 1 15 7753 1 1 14 THR CA C 14.918 -0.309 0.426 1.00 . A A . 13 THR CA 1 1 15 7754 1 1 14 THR CB C 15.613 0.176 -0.858 1.00 . A A . 13 THR CB 1 1 15 7755 1 1 14 THR CG2 C 16.528 -0.903 -1.400 1.00 . A A . 13 THR CG2 1 1 15 7756 1 1 14 THR H H 13.905 -1.717 -0.770 1.00 . A A . 13 THR H 1 1 15 7757 1 1 14 THR HA H 15.677 -0.606 1.133 1.00 . A A . 13 THR HA 1 1 15 7758 1 1 14 THR HB H 16.205 1.044 -0.623 1.00 . A A . 13 THR HB 1 1 15 7759 1 1 14 THR HG1 H 14.989 0.319 -2.728 1.00 . A A . 13 THR HG1 1 1 15 7760 1 1 14 THR HG21 H 17.243 -1.176 -0.642 1.00 . A A . 13 THR HG21 1 1 15 7761 1 1 14 THR HG22 H 17.047 -0.530 -2.270 1.00 . A A . 13 THR HG22 1 1 15 7762 1 1 14 THR HG23 H 15.941 -1.767 -1.671 1.00 . A A . 13 THR HG23 1 1 15 7763 1 1 14 THR N N 14.070 -1.455 0.158 1.00 . A A . 13 THR N 1 1 15 7764 1 1 14 THR O O 12.919 0.968 0.713 1.00 . A A . 13 THR O 1 1 15 7765 1 1 14 THR OG1 O 14.637 0.522 -1.851 1.00 . A A . 13 THR OG1 1 1 15 7766 1 1 15 PRO C C 13.442 3.737 1.492 1.00 . A A . 14 PRO C 1 1 15 7767 1 1 15 PRO CA C 14.028 2.782 2.527 1.00 . A A . 14 PRO CA 1 1 15 7768 1 1 15 PRO CB C 15.138 3.469 3.335 1.00 . A A . 14 PRO CB 1 1 15 7769 1 1 15 PRO CD C 16.117 1.555 2.302 1.00 . A A . 14 PRO CD 1 1 15 7770 1 1 15 PRO CG C 16.415 2.945 2.788 1.00 . A A . 14 PRO CG 1 1 15 7771 1 1 15 PRO HA H 13.245 2.445 3.189 1.00 . A A . 14 PRO HA 1 1 15 7772 1 1 15 PRO HB2 H 15.077 4.541 3.207 1.00 . A A . 14 PRO HB2 1 1 15 7773 1 1 15 PRO HB3 H 15.054 3.212 4.378 1.00 . A A . 14 PRO HB3 1 1 15 7774 1 1 15 PRO HD2 H 16.749 1.300 1.466 1.00 . A A . 14 PRO HD2 1 1 15 7775 1 1 15 PRO HD3 H 16.232 0.836 3.099 1.00 . A A . 14 PRO HD3 1 1 15 7776 1 1 15 PRO HG2 H 16.745 3.578 1.971 1.00 . A A . 14 PRO HG2 1 1 15 7777 1 1 15 PRO HG3 H 17.160 2.909 3.568 1.00 . A A . 14 PRO HG3 1 1 15 7778 1 1 15 PRO N N 14.711 1.652 1.885 1.00 . A A . 14 PRO N 1 1 15 7779 1 1 15 PRO O O 12.438 4.410 1.735 1.00 . A A . 14 PRO O 1 1 15 7780 1 1 16 GLU C C 12.306 3.992 -1.329 1.00 . A A . 15 GLU C 1 1 15 7781 1 1 16 GLU CA C 13.616 4.562 -0.790 1.00 . A A . 15 GLU CA 1 1 15 7782 1 1 16 GLU CB C 14.684 4.572 -1.880 1.00 . A A . 15 GLU CB 1 1 15 7783 1 1 16 GLU CD C 15.385 5.332 -4.170 1.00 . A A . 15 GLU CD 1 1 15 7784 1 1 16 GLU CG C 14.289 5.341 -3.129 1.00 . A A . 15 GLU CG 1 1 15 7785 1 1 16 GLU H H 14.910 3.258 0.236 1.00 . A A . 15 GLU H 1 1 15 7786 1 1 16 GLU HA H 13.449 5.570 -0.449 1.00 . A A . 15 GLU HA 1 1 15 7787 1 1 16 GLU HB2 H 15.582 5.019 -1.477 1.00 . A A . 15 GLU HB2 1 1 15 7788 1 1 16 GLU HB3 H 14.900 3.552 -2.162 1.00 . A A . 15 GLU HB3 1 1 15 7789 1 1 16 GLU HG2 H 13.400 4.894 -3.553 1.00 . A A . 15 GLU HG2 1 1 15 7790 1 1 16 GLU HG3 H 14.081 6.364 -2.854 1.00 . A A . 15 GLU HG3 1 1 15 7791 1 1 16 GLU N N 14.087 3.780 0.336 1.00 . A A . 15 GLU N 1 1 15 7792 1 1 16 GLU O O 11.342 4.721 -1.561 1.00 . A A . 15 GLU O 1 1 15 7793 1 1 16 GLU OE1 O 15.656 4.255 -4.741 1.00 . A A . 15 GLU OE1 1 1 15 7794 1 1 16 GLU OE2 O 15.965 6.406 -4.436 1.00 . A A . 15 GLU OE2 1 1 15 7795 1 1 17 LYS C C 10.010 1.889 -1.014 1.00 . A A . 16 LYS C 1 1 15 7796 1 1 17 LYS CA C 11.114 1.999 -2.056 1.00 . A A . 16 LYS CA 1 1 15 7797 1 1 17 LYS CB C 11.512 0.609 -2.559 1.00 . A A . 16 LYS CB 1 1 15 7798 1 1 17 LYS CD C 10.880 -1.467 -3.831 1.00 . A A . 16 LYS CD 1 1 15 7799 1 1 17 LYS CE C 11.994 -1.313 -4.856 1.00 . A A . 16 LYS CE 1 1 15 7800 1 1 17 LYS CG C 10.404 -0.121 -3.301 1.00 . A A . 16 LYS CG 1 1 15 7801 1 1 17 LYS H H 13.056 2.143 -1.244 1.00 . A A . 16 LYS H 1 1 15 7802 1 1 17 LYS HA H 10.752 2.586 -2.885 1.00 . A A . 16 LYS HA 1 1 15 7803 1 1 17 LYS HB2 H 12.357 0.709 -3.224 1.00 . A A . 16 LYS HB2 1 1 15 7804 1 1 17 LYS HB3 H 11.804 0.008 -1.710 1.00 . A A . 16 LYS HB3 1 1 15 7805 1 1 17 LYS HD2 H 11.246 -2.057 -3.005 1.00 . A A . 16 LYS HD2 1 1 15 7806 1 1 17 LYS HD3 H 10.044 -1.974 -4.293 1.00 . A A . 16 LYS HD3 1 1 15 7807 1 1 17 LYS HE2 H 12.820 -0.792 -4.397 1.00 . A A . 16 LYS HE2 1 1 15 7808 1 1 17 LYS HE3 H 12.319 -2.296 -5.164 1.00 . A A . 16 LYS HE3 1 1 15 7809 1 1 17 LYS HG2 H 9.578 -0.283 -2.627 1.00 . A A . 16 LYS HG2 1 1 15 7810 1 1 17 LYS HG3 H 10.080 0.488 -4.132 1.00 . A A . 16 LYS HG3 1 1 15 7811 1 1 17 LYS HZ1 H 10.784 -1.067 -6.537 1.00 . A A . 16 LYS HZ1 1 1 15 7812 1 1 17 LYS HZ2 H 12.340 -0.437 -6.717 1.00 . A A . 16 LYS HZ2 1 1 15 7813 1 1 17 LYS HZ3 H 11.202 0.385 -5.777 1.00 . A A . 16 LYS HZ3 1 1 15 7814 1 1 17 LYS N N 12.276 2.677 -1.502 1.00 . A A . 16 LYS N 1 1 15 7815 1 1 17 LYS NZ N 11.550 -0.554 -6.054 1.00 . A A . 16 LYS NZ 1 1 15 7816 1 1 17 LYS O O 8.824 1.928 -1.343 1.00 . A A . 16 LYS O 1 1 15 7817 1 1 18 LEU C C 8.620 2.958 1.430 1.00 . A A . 17 LEU C 1 1 15 7818 1 1 18 LEU CA C 9.461 1.695 1.349 1.00 . A A . 17 LEU CA 1 1 15 7819 1 1 18 LEU CB C 10.185 1.469 2.672 1.00 . A A . 17 LEU CB 1 1 15 7820 1 1 18 LEU CD1 C 11.541 0.003 4.169 1.00 . A A . 17 LEU CD1 1 1 15 7821 1 1 18 LEU CD2 C 9.688 -0.977 2.815 1.00 . A A . 17 LEU CD2 1 1 15 7822 1 1 18 LEU CG C 10.781 0.077 2.859 1.00 . A A . 17 LEU CG 1 1 15 7823 1 1 18 LEU H H 11.368 1.690 0.441 1.00 . A A . 17 LEU H 1 1 15 7824 1 1 18 LEU HA H 8.809 0.858 1.164 1.00 . A A . 17 LEU HA 1 1 15 7825 1 1 18 LEU HB2 H 10.984 2.188 2.743 1.00 . A A . 17 LEU HB2 1 1 15 7826 1 1 18 LEU HB3 H 9.490 1.652 3.476 1.00 . A A . 17 LEU HB3 1 1 15 7827 1 1 18 LEU HD11 H 11.980 -0.978 4.277 1.00 . A A . 17 LEU HD11 1 1 15 7828 1 1 18 LEU HD12 H 10.863 0.186 4.990 1.00 . A A . 17 LEU HD12 1 1 15 7829 1 1 18 LEU HD13 H 12.321 0.748 4.173 1.00 . A A . 17 LEU HD13 1 1 15 7830 1 1 18 LEU HD21 H 10.109 -1.941 3.056 1.00 . A A . 17 LEU HD21 1 1 15 7831 1 1 18 LEU HD22 H 9.263 -1.010 1.822 1.00 . A A . 17 LEU HD22 1 1 15 7832 1 1 18 LEU HD23 H 8.918 -0.729 3.529 1.00 . A A . 17 LEU HD23 1 1 15 7833 1 1 18 LEU HG H 11.475 -0.123 2.057 1.00 . A A . 17 LEU HG 1 1 15 7834 1 1 18 LEU N N 10.407 1.763 0.248 1.00 . A A . 17 LEU N 1 1 15 7835 1 1 18 LEU O O 7.473 2.913 1.851 1.00 . A A . 17 LEU O 1 1 15 7836 1 1 19 ALA C C 7.318 5.237 -0.023 1.00 . A A . 18 ALA C 1 1 15 7837 1 1 19 ALA CA C 8.459 5.334 0.980 1.00 . A A . 18 ALA CA 1 1 15 7838 1 1 19 ALA CB C 9.389 6.471 0.617 1.00 . A A . 18 ALA CB 1 1 15 7839 1 1 19 ALA H H 10.135 4.072 0.760 1.00 . A A . 18 ALA H 1 1 15 7840 1 1 19 ALA HA H 8.055 5.522 1.961 1.00 . A A . 18 ALA HA 1 1 15 7841 1 1 19 ALA HB1 H 9.794 6.301 -0.370 1.00 . A A . 18 ALA HB1 1 1 15 7842 1 1 19 ALA HB2 H 10.194 6.518 1.334 1.00 . A A . 18 ALA HB2 1 1 15 7843 1 1 19 ALA HB3 H 8.841 7.400 0.626 1.00 . A A . 18 ALA HB3 1 1 15 7844 1 1 19 ALA N N 9.194 4.082 1.027 1.00 . A A . 18 ALA N 1 1 15 7845 1 1 19 ALA O O 6.192 5.649 0.252 1.00 . A A . 18 ALA O 1 1 15 7846 1 1 20 LYS C C 5.586 3.435 -1.707 1.00 . A A . 19 LYS C 1 1 15 7847 1 1 20 LYS CA C 6.621 4.433 -2.211 1.00 . A A . 19 LYS CA 1 1 15 7848 1 1 20 LYS CB C 7.290 3.900 -3.480 1.00 . A A . 19 LYS CB 1 1 15 7849 1 1 20 LYS CD C 6.999 3.001 -5.819 1.00 . A A . 19 LYS CD 1 1 15 7850 1 1 20 LYS CE C 8.252 3.706 -6.318 1.00 . A A . 19 LYS CE 1 1 15 7851 1 1 20 LYS CG C 6.344 3.744 -4.662 1.00 . A A . 19 LYS CG 1 1 15 7852 1 1 20 LYS H H 8.547 4.385 -1.344 1.00 . A A . 19 LYS H 1 1 15 7853 1 1 20 LYS HA H 6.135 5.370 -2.425 1.00 . A A . 19 LYS HA 1 1 15 7854 1 1 20 LYS HB2 H 8.078 4.578 -3.765 1.00 . A A . 19 LYS HB2 1 1 15 7855 1 1 20 LYS HB3 H 7.722 2.933 -3.265 1.00 . A A . 19 LYS HB3 1 1 15 7856 1 1 20 LYS HD2 H 7.268 2.010 -5.488 1.00 . A A . 19 LYS HD2 1 1 15 7857 1 1 20 LYS HD3 H 6.291 2.928 -6.632 1.00 . A A . 19 LYS HD3 1 1 15 7858 1 1 20 LYS HE2 H 8.948 3.795 -5.499 1.00 . A A . 19 LYS HE2 1 1 15 7859 1 1 20 LYS HE3 H 8.695 3.109 -7.101 1.00 . A A . 19 LYS HE3 1 1 15 7860 1 1 20 LYS HG2 H 5.473 3.193 -4.342 1.00 . A A . 19 LYS HG2 1 1 15 7861 1 1 20 LYS HG3 H 6.045 4.726 -5.000 1.00 . A A . 19 LYS HG3 1 1 15 7862 1 1 20 LYS HZ1 H 8.843 5.524 -7.154 1.00 . A A . 19 LYS HZ1 1 1 15 7863 1 1 20 LYS HZ2 H 7.511 5.647 -6.122 1.00 . A A . 19 LYS HZ2 1 1 15 7864 1 1 20 LYS HZ3 H 7.322 4.997 -7.670 1.00 . A A . 19 LYS HZ3 1 1 15 7865 1 1 20 LYS N N 7.622 4.665 -1.181 1.00 . A A . 19 LYS N 1 1 15 7866 1 1 20 LYS NZ N 7.962 5.062 -6.853 1.00 . A A . 19 LYS NZ 1 1 15 7867 1 1 20 LYS O O 4.389 3.567 -1.969 1.00 . A A . 19 LYS O 1 1 15 7868 1 1 21 TYR C C 4.268 2.067 0.636 1.00 . A A . 20 TYR C 1 1 15 7869 1 1 21 TYR CA C 5.208 1.433 -0.379 1.00 . A A . 20 TYR CA 1 1 15 7870 1 1 21 TYR CB C 6.050 0.346 0.291 1.00 . A A . 20 TYR CB 1 1 15 7871 1 1 21 TYR CD1 C 4.734 -1.785 0.045 1.00 . A A . 20 TYR CD1 1 1 15 7872 1 1 21 TYR CD2 C 4.974 -0.872 2.231 1.00 . A A . 20 TYR CD2 1 1 15 7873 1 1 21 TYR CE1 C 3.993 -2.828 0.556 1.00 . A A . 20 TYR CE1 1 1 15 7874 1 1 21 TYR CE2 C 4.231 -1.917 2.752 1.00 . A A . 20 TYR CE2 1 1 15 7875 1 1 21 TYR CG C 5.238 -0.791 0.868 1.00 . A A . 20 TYR CG 1 1 15 7876 1 1 21 TYR CZ C 3.744 -2.892 1.909 1.00 . A A . 20 TYR CZ 1 1 15 7877 1 1 21 TYR H H 7.038 2.378 -0.837 1.00 . A A . 20 TYR H 1 1 15 7878 1 1 21 TYR HA H 4.620 0.988 -1.168 1.00 . A A . 20 TYR HA 1 1 15 7879 1 1 21 TYR HB2 H 6.731 -0.069 -0.438 1.00 . A A . 20 TYR HB2 1 1 15 7880 1 1 21 TYR HB3 H 6.617 0.791 1.095 1.00 . A A . 20 TYR HB3 1 1 15 7881 1 1 21 TYR HD1 H 4.932 -1.736 -1.015 1.00 . A A . 20 TYR HD1 1 1 15 7882 1 1 21 TYR HD2 H 5.358 -0.106 2.888 1.00 . A A . 20 TYR HD2 1 1 15 7883 1 1 21 TYR HE1 H 3.612 -3.593 -0.104 1.00 . A A . 20 TYR HE1 1 1 15 7884 1 1 21 TYR HE2 H 4.036 -1.965 3.812 1.00 . A A . 20 TYR HE2 1 1 15 7885 1 1 21 TYR HH H 2.405 -3.613 3.094 1.00 . A A . 20 TYR HH 1 1 15 7886 1 1 21 TYR N N 6.068 2.439 -0.976 1.00 . A A . 20 TYR N 1 1 15 7887 1 1 21 TYR O O 3.076 1.783 0.643 1.00 . A A . 20 TYR O 1 1 15 7888 1 1 21 TYR OH O 3.010 -3.939 2.417 1.00 . A A . 20 TYR OH 1 1 15 7889 1 1 22 GLN C C 2.960 4.491 1.856 1.00 . A A . 21 GLN C 1 1 15 7890 1 1 22 GLN CA C 4.022 3.616 2.499 1.00 . A A . 21 GLN CA 1 1 15 7891 1 1 22 GLN CB C 4.913 4.465 3.404 1.00 . A A . 21 GLN CB 1 1 15 7892 1 1 22 GLN CD C 6.688 4.535 5.195 1.00 . A A . 21 GLN CD 1 1 15 7893 1 1 22 GLN CG C 5.844 3.656 4.293 1.00 . A A . 21 GLN CG 1 1 15 7894 1 1 22 GLN H H 5.780 3.116 1.427 1.00 . A A . 21 GLN H 1 1 15 7895 1 1 22 GLN HA H 3.531 2.863 3.095 1.00 . A A . 21 GLN HA 1 1 15 7896 1 1 22 GLN HB2 H 5.516 5.115 2.787 1.00 . A A . 21 GLN HB2 1 1 15 7897 1 1 22 GLN HB3 H 4.283 5.071 4.036 1.00 . A A . 21 GLN HB3 1 1 15 7898 1 1 22 GLN HE21 H 8.155 3.191 5.206 1.00 . A A . 21 GLN HE21 1 1 15 7899 1 1 22 GLN HE22 H 8.442 4.627 6.126 1.00 . A A . 21 GLN HE22 1 1 15 7900 1 1 22 GLN HG2 H 5.251 2.996 4.911 1.00 . A A . 21 GLN HG2 1 1 15 7901 1 1 22 GLN HG3 H 6.501 3.069 3.667 1.00 . A A . 21 GLN HG3 1 1 15 7902 1 1 22 GLN N N 4.814 2.933 1.483 1.00 . A A . 21 GLN N 1 1 15 7903 1 1 22 GLN NE2 N 7.881 4.073 5.543 1.00 . A A . 21 GLN NE2 1 1 15 7904 1 1 22 GLN O O 1.845 4.592 2.363 1.00 . A A . 21 GLN O 1 1 15 7905 1 1 22 GLN OE1 O 6.266 5.628 5.582 1.00 . A A . 21 GLN OE1 1 1 15 7906 1 1 23 ALA C C 1.232 5.124 -0.557 1.00 . A A . 22 ALA C 1 1 15 7907 1 1 23 ALA CA C 2.375 5.956 0.012 1.00 . A A . 22 ALA CA 1 1 15 7908 1 1 23 ALA CB C 3.096 6.703 -1.098 1.00 . A A . 22 ALA CB 1 1 15 7909 1 1 23 ALA H H 4.226 5.018 0.403 1.00 . A A . 22 ALA H 1 1 15 7910 1 1 23 ALA HA H 1.972 6.680 0.702 1.00 . A A . 22 ALA HA 1 1 15 7911 1 1 23 ALA HB1 H 3.529 5.991 -1.785 1.00 . A A . 22 ALA HB1 1 1 15 7912 1 1 23 ALA HB2 H 3.880 7.312 -0.671 1.00 . A A . 22 ALA HB2 1 1 15 7913 1 1 23 ALA HB3 H 2.395 7.333 -1.624 1.00 . A A . 22 ALA HB3 1 1 15 7914 1 1 23 ALA N N 3.309 5.117 0.741 1.00 . A A . 22 ALA N 1 1 15 7915 1 1 23 ALA O O 0.063 5.502 -0.459 1.00 . A A . 22 ALA O 1 1 15 7916 1 1 24 ASP C C -0.236 2.404 -0.634 1.00 . A A . 23 ASP C 1 1 15 7917 1 1 24 ASP CA C 0.579 3.093 -1.726 1.00 . A A . 23 ASP CA 1 1 15 7918 1 1 24 ASP CB C 1.264 2.059 -2.629 1.00 . A A . 23 ASP CB 1 1 15 7919 1 1 24 ASP CG C 0.284 1.223 -3.434 1.00 . A A . 23 ASP CG 1 1 15 7920 1 1 24 ASP H H 2.524 3.724 -1.160 1.00 . A A . 23 ASP H 1 1 15 7921 1 1 24 ASP HA H -0.085 3.700 -2.324 1.00 . A A . 23 ASP HA 1 1 15 7922 1 1 24 ASP HB2 H 1.915 2.574 -3.324 1.00 . A A . 23 ASP HB2 1 1 15 7923 1 1 24 ASP HB3 H 1.855 1.394 -2.014 1.00 . A A . 23 ASP HB3 1 1 15 7924 1 1 24 ASP N N 1.575 3.979 -1.132 1.00 . A A . 23 ASP N 1 1 15 7925 1 1 24 ASP O O -1.439 2.185 -0.780 1.00 . A A . 23 ASP O 1 1 15 7926 1 1 24 ASP OD1 O 0.581 0.035 -3.685 1.00 . A A . 23 ASP OD1 1 1 15 7927 1 1 24 ASP OD2 O -0.770 1.753 -3.847 1.00 . A A . 23 ASP OD2 1 1 15 7928 1 1 25 LEU C C -1.188 2.522 2.239 1.00 . A A . 24 LEU C 1 1 15 7929 1 1 25 LEU CA C -0.229 1.496 1.633 1.00 . A A . 24 LEU CA 1 1 15 7930 1 1 25 LEU CB C 0.836 1.032 2.651 1.00 . A A . 24 LEU CB 1 1 15 7931 1 1 25 LEU CD1 C -0.215 1.123 4.937 1.00 . A A . 24 LEU CD1 1 1 15 7932 1 1 25 LEU CD2 C -0.695 -0.811 3.440 1.00 . A A . 24 LEU CD2 1 1 15 7933 1 1 25 LEU CG C 0.346 0.216 3.860 1.00 . A A . 24 LEU CG 1 1 15 7934 1 1 25 LEU H H 1.402 2.222 0.491 1.00 . A A . 24 LEU H 1 1 15 7935 1 1 25 LEU HA H -0.801 0.643 1.303 1.00 . A A . 24 LEU HA 1 1 15 7936 1 1 25 LEU HB2 H 1.566 0.432 2.125 1.00 . A A . 24 LEU HB2 1 1 15 7937 1 1 25 LEU HB3 H 1.336 1.911 3.029 1.00 . A A . 24 LEU HB3 1 1 15 7938 1 1 25 LEU HD11 H 0.565 1.775 5.299 1.00 . A A . 24 LEU HD11 1 1 15 7939 1 1 25 LEU HD12 H -0.592 0.523 5.751 1.00 . A A . 24 LEU HD12 1 1 15 7940 1 1 25 LEU HD13 H -1.017 1.717 4.523 1.00 . A A . 24 LEU HD13 1 1 15 7941 1 1 25 LEU HD21 H -0.998 -1.387 4.301 1.00 . A A . 24 LEU HD21 1 1 15 7942 1 1 25 LEU HD22 H -0.273 -1.469 2.696 1.00 . A A . 24 LEU HD22 1 1 15 7943 1 1 25 LEU HD23 H -1.552 -0.304 3.027 1.00 . A A . 24 LEU HD23 1 1 15 7944 1 1 25 LEU HG H 1.185 -0.318 4.283 1.00 . A A . 24 LEU HG 1 1 15 7945 1 1 25 LEU N N 0.430 2.075 0.464 1.00 . A A . 24 LEU N 1 1 15 7946 1 1 25 LEU O O -2.301 2.183 2.644 1.00 . A A . 24 LEU O 1 1 15 7947 1 1 26 ALA C C -2.814 5.041 1.863 1.00 . A A . 25 ALA C 1 1 15 7948 1 1 26 ALA CA C -1.597 4.866 2.762 1.00 . A A . 25 ALA CA 1 1 15 7949 1 1 26 ALA CB C -0.801 6.155 2.834 1.00 . A A . 25 ALA CB 1 1 15 7950 1 1 26 ALA H H 0.165 3.978 2.000 1.00 . A A . 25 ALA H 1 1 15 7951 1 1 26 ALA HA H -1.928 4.619 3.759 1.00 . A A . 25 ALA HA 1 1 15 7952 1 1 26 ALA HB1 H -0.485 6.436 1.840 1.00 . A A . 25 ALA HB1 1 1 15 7953 1 1 26 ALA HB2 H 0.067 6.005 3.458 1.00 . A A . 25 ALA HB2 1 1 15 7954 1 1 26 ALA HB3 H -1.417 6.937 3.253 1.00 . A A . 25 ALA HB3 1 1 15 7955 1 1 26 ALA N N -0.755 3.777 2.285 1.00 . A A . 25 ALA N 1 1 15 7956 1 1 26 ALA O O -3.928 5.249 2.345 1.00 . A A . 25 ALA O 1 1 15 7957 1 1 27 LYS C C -4.631 3.844 -0.187 1.00 . A A . 26 LYS C 1 1 15 7958 1 1 27 LYS CA C -3.680 5.006 -0.414 1.00 . A A . 26 LYS CA 1 1 15 7959 1 1 27 LYS CB C -3.150 4.957 -1.849 1.00 . A A . 26 LYS CB 1 1 15 7960 1 1 27 LYS CD C -3.724 4.823 -4.301 1.00 . A A . 26 LYS CD 1 1 15 7961 1 1 27 LYS CE C -4.848 4.831 -5.330 1.00 . A A . 26 LYS CE 1 1 15 7962 1 1 27 LYS CG C -4.252 5.046 -2.895 1.00 . A A . 26 LYS CG 1 1 15 7963 1 1 27 LYS H H -1.671 4.840 0.233 1.00 . A A . 26 LYS H 1 1 15 7964 1 1 27 LYS HA H -4.214 5.931 -0.262 1.00 . A A . 26 LYS HA 1 1 15 7965 1 1 27 LYS HB2 H -2.465 5.777 -2.000 1.00 . A A . 26 LYS HB2 1 1 15 7966 1 1 27 LYS HB3 H -2.623 4.026 -1.993 1.00 . A A . 26 LYS HB3 1 1 15 7967 1 1 27 LYS HD2 H -3.023 5.607 -4.541 1.00 . A A . 26 LYS HD2 1 1 15 7968 1 1 27 LYS HD3 H -3.223 3.866 -4.337 1.00 . A A . 26 LYS HD3 1 1 15 7969 1 1 27 LYS HE2 H -5.362 5.778 -5.274 1.00 . A A . 26 LYS HE2 1 1 15 7970 1 1 27 LYS HE3 H -4.416 4.715 -6.314 1.00 . A A . 26 LYS HE3 1 1 15 7971 1 1 27 LYS HG2 H -4.998 4.296 -2.680 1.00 . A A . 26 LYS HG2 1 1 15 7972 1 1 27 LYS HG3 H -4.703 6.026 -2.842 1.00 . A A . 26 LYS HG3 1 1 15 7973 1 1 27 LYS HZ1 H -6.285 3.841 -4.165 1.00 . A A . 26 LYS HZ1 1 1 15 7974 1 1 27 LYS HZ2 H -5.354 2.812 -5.138 1.00 . A A . 26 LYS HZ2 1 1 15 7975 1 1 27 LYS HZ3 H -6.567 3.755 -5.833 1.00 . A A . 26 LYS HZ3 1 1 15 7976 1 1 27 LYS N N -2.591 4.948 0.554 1.00 . A A . 26 LYS N 1 1 15 7977 1 1 27 LYS NZ N -5.831 3.735 -5.102 1.00 . A A . 26 LYS NZ 1 1 15 7978 1 1 27 LYS O O -5.849 3.992 -0.280 1.00 . A A . 26 LYS O 1 1 15 7979 1 1 28 TYR C C -5.750 1.740 1.608 1.00 . A A . 27 TYR C 1 1 15 7980 1 1 28 TYR CA C -4.846 1.503 0.409 1.00 . A A . 27 TYR CA 1 1 15 7981 1 1 28 TYR CB C -3.934 0.301 0.658 1.00 . A A . 27 TYR CB 1 1 15 7982 1 1 28 TYR CD1 C -5.426 -1.699 0.255 1.00 . A A . 27 TYR CD1 1 1 15 7983 1 1 28 TYR CD2 C -4.601 -1.332 2.461 1.00 . A A . 27 TYR CD2 1 1 15 7984 1 1 28 TYR CE1 C -6.089 -2.828 0.686 1.00 . A A . 27 TYR CE1 1 1 15 7985 1 1 28 TYR CE2 C -5.262 -2.460 2.898 1.00 . A A . 27 TYR CE2 1 1 15 7986 1 1 28 TYR CG C -4.670 -0.931 1.134 1.00 . A A . 27 TYR CG 1 1 15 7987 1 1 28 TYR CZ C -6.037 -3.184 2.011 1.00 . A A . 27 TYR CZ 1 1 15 7988 1 1 28 TYR H H -3.080 2.637 0.168 1.00 . A A . 27 TYR H 1 1 15 7989 1 1 28 TYR HA H -5.465 1.305 -0.453 1.00 . A A . 27 TYR HA 1 1 15 7990 1 1 28 TYR HB2 H -3.423 0.049 -0.260 1.00 . A A . 27 TYR HB2 1 1 15 7991 1 1 28 TYR HB3 H -3.206 0.565 1.405 1.00 . A A . 27 TYR HB3 1 1 15 7992 1 1 28 TYR HD1 H -5.490 -1.403 -0.782 1.00 . A A . 27 TYR HD1 1 1 15 7993 1 1 28 TYR HD2 H -4.021 -0.748 3.158 1.00 . A A . 27 TYR HD2 1 1 15 7994 1 1 28 TYR HE1 H -6.671 -3.412 -0.011 1.00 . A A . 27 TYR HE1 1 1 15 7995 1 1 28 TYR HE2 H -5.197 -2.754 3.933 1.00 . A A . 27 TYR HE2 1 1 15 7996 1 1 28 TYR HH H -6.689 -4.983 1.730 1.00 . A A . 27 TYR HH 1 1 15 7997 1 1 28 TYR N N -4.060 2.689 0.126 1.00 . A A . 27 TYR N 1 1 15 7998 1 1 28 TYR O O -6.902 1.334 1.599 1.00 . A A . 27 TYR O 1 1 15 7999 1 1 28 TYR OH O -6.661 -4.330 2.444 1.00 . A A . 27 TYR OH 1 1 15 8000 1 1 29 GLN C C -7.189 3.655 3.399 1.00 . A A . 28 GLN C 1 1 15 8001 1 1 29 GLN CA C -6.017 2.767 3.799 1.00 . A A . 28 GLN CA 1 1 15 8002 1 1 29 GLN CB C -5.162 3.509 4.827 1.00 . A A . 28 GLN CB 1 1 15 8003 1 1 29 GLN CD C -3.239 3.489 6.443 1.00 . A A . 28 GLN CD 1 1 15 8004 1 1 29 GLN CG C -4.078 2.667 5.483 1.00 . A A . 28 GLN CG 1 1 15 8005 1 1 29 GLN H H -4.280 2.666 2.591 1.00 . A A . 28 GLN H 1 1 15 8006 1 1 29 GLN HA H -6.395 1.855 4.237 1.00 . A A . 28 GLN HA 1 1 15 8007 1 1 29 GLN HB2 H -4.684 4.347 4.337 1.00 . A A . 28 GLN HB2 1 1 15 8008 1 1 29 GLN HB3 H -5.811 3.889 5.604 1.00 . A A . 28 GLN HB3 1 1 15 8009 1 1 29 GLN HE21 H -1.670 2.318 6.137 1.00 . A A . 28 GLN HE21 1 1 15 8010 1 1 29 GLN HE22 H -1.420 3.637 7.222 1.00 . A A . 28 GLN HE22 1 1 15 8011 1 1 29 GLN HG2 H -4.543 1.859 6.033 1.00 . A A . 28 GLN HG2 1 1 15 8012 1 1 29 GLN HG3 H -3.433 2.259 4.716 1.00 . A A . 28 GLN HG3 1 1 15 8013 1 1 29 GLN N N -5.225 2.410 2.626 1.00 . A A . 28 GLN N 1 1 15 8014 1 1 29 GLN NE2 N -1.987 3.106 6.621 1.00 . A A . 28 GLN NE2 1 1 15 8015 1 1 29 GLN O O -8.316 3.467 3.860 1.00 . A A . 28 GLN O 1 1 15 8016 1 1 29 GLN OE1 O -3.716 4.460 7.022 1.00 . A A . 28 GLN OE1 1 1 15 8017 1 1 30 LYS C C -9.009 4.816 1.290 1.00 . A A . 29 LYS C 1 1 15 8018 1 1 30 LYS CA C -7.921 5.556 2.065 1.00 . A A . 29 LYS CA 1 1 15 8019 1 1 30 LYS CB C -7.273 6.634 1.189 1.00 . A A . 29 LYS CB 1 1 15 8020 1 1 30 LYS CD C -7.532 8.745 -0.147 1.00 . A A . 29 LYS CD 1 1 15 8021 1 1 30 LYS CE C -8.500 9.802 -0.656 1.00 . A A . 29 LYS CE 1 1 15 8022 1 1 30 LYS CG C -8.235 7.715 0.723 1.00 . A A . 29 LYS CG 1 1 15 8023 1 1 30 LYS H H -5.988 4.716 2.212 1.00 . A A . 29 LYS H 1 1 15 8024 1 1 30 LYS HA H -8.366 6.024 2.927 1.00 . A A . 29 LYS HA 1 1 15 8025 1 1 30 LYS HB2 H -6.482 7.108 1.751 1.00 . A A . 29 LYS HB2 1 1 15 8026 1 1 30 LYS HB3 H -6.846 6.162 0.314 1.00 . A A . 29 LYS HB3 1 1 15 8027 1 1 30 LYS HD2 H -6.763 9.229 0.436 1.00 . A A . 29 LYS HD2 1 1 15 8028 1 1 30 LYS HD3 H -7.084 8.244 -0.991 1.00 . A A . 29 LYS HD3 1 1 15 8029 1 1 30 LYS HE2 H -9.275 9.315 -1.229 1.00 . A A . 29 LYS HE2 1 1 15 8030 1 1 30 LYS HE3 H -8.941 10.305 0.192 1.00 . A A . 29 LYS HE3 1 1 15 8031 1 1 30 LYS HG2 H -9.027 7.257 0.153 1.00 . A A . 29 LYS HG2 1 1 15 8032 1 1 30 LYS HG3 H -8.652 8.210 1.587 1.00 . A A . 29 LYS HG3 1 1 15 8033 1 1 30 LYS HZ1 H -7.072 11.286 -0.985 1.00 . A A . 29 LYS HZ1 1 1 15 8034 1 1 30 LYS HZ2 H -8.507 11.518 -1.843 1.00 . A A . 29 LYS HZ2 1 1 15 8035 1 1 30 LYS HZ3 H -7.402 10.344 -2.347 1.00 . A A . 29 LYS HZ3 1 1 15 8036 1 1 30 LYS N N -6.908 4.624 2.538 1.00 . A A . 29 LYS N 1 1 15 8037 1 1 30 LYS NZ N -7.824 10.807 -1.516 1.00 . A A . 29 LYS NZ 1 1 15 8038 1 1 30 LYS O O -10.201 5.000 1.544 1.00 . A A . 29 LYS O 1 1 15 8039 1 1 31 ASP C C -10.243 2.155 0.448 1.00 . A A . 30 ASP C 1 1 15 8040 1 1 31 ASP CA C -9.530 3.177 -0.433 1.00 . A A . 30 ASP CA 1 1 15 8041 1 1 31 ASP CB C -8.821 2.466 -1.589 1.00 . A A . 30 ASP CB 1 1 15 8042 1 1 31 ASP CG C -8.442 3.409 -2.713 1.00 . A A . 30 ASP CG 1 1 15 8043 1 1 31 ASP H H -7.627 3.901 0.168 1.00 . A A . 30 ASP H 1 1 15 8044 1 1 31 ASP HA H -10.268 3.849 -0.843 1.00 . A A . 30 ASP HA 1 1 15 8045 1 1 31 ASP HB2 H -7.918 1.998 -1.217 1.00 . A A . 30 ASP HB2 1 1 15 8046 1 1 31 ASP HB3 H -9.479 1.707 -1.987 1.00 . A A . 30 ASP HB3 1 1 15 8047 1 1 31 ASP N N -8.593 3.980 0.347 1.00 . A A . 30 ASP N 1 1 15 8048 1 1 31 ASP O O -11.405 1.823 0.217 1.00 . A A . 30 ASP O 1 1 15 8049 1 1 31 ASP OD1 O -7.253 3.774 -2.810 1.00 . A A . 30 ASP OD1 1 1 15 8050 1 1 31 ASP OD2 O -9.330 3.798 -3.501 1.00 . A A . 30 ASP OD2 1 1 15 8051 1 1 32 LEU C C -11.213 1.326 3.195 1.00 . A A . 31 LEU C 1 1 15 8052 1 1 32 LEU CA C -10.083 0.690 2.399 1.00 . A A . 31 LEU CA 1 1 15 8053 1 1 32 LEU CB C -8.977 0.201 3.345 1.00 . A A . 31 LEU CB 1 1 15 8054 1 1 32 LEU CD1 C -9.644 -2.224 3.397 1.00 . A A . 31 LEU CD1 1 1 15 8055 1 1 32 LEU CD2 C -8.173 -1.279 5.183 1.00 . A A . 31 LEU CD2 1 1 15 8056 1 1 32 LEU CG C -9.324 -0.994 4.234 1.00 . A A . 31 LEU CG 1 1 15 8057 1 1 32 LEU H H -8.594 1.930 1.544 1.00 . A A . 31 LEU H 1 1 15 8058 1 1 32 LEU HA H -10.476 -0.145 1.843 1.00 . A A . 31 LEU HA 1 1 15 8059 1 1 32 LEU HB2 H -8.116 -0.065 2.750 1.00 . A A . 31 LEU HB2 1 1 15 8060 1 1 32 LEU HB3 H -8.701 1.023 3.990 1.00 . A A . 31 LEU HB3 1 1 15 8061 1 1 32 LEU HD11 H -8.823 -2.424 2.724 1.00 . A A . 31 LEU HD11 1 1 15 8062 1 1 32 LEU HD12 H -10.545 -2.051 2.829 1.00 . A A . 31 LEU HD12 1 1 15 8063 1 1 32 LEU HD13 H -9.788 -3.072 4.050 1.00 . A A . 31 LEU HD13 1 1 15 8064 1 1 32 LEU HD21 H -8.412 -2.137 5.794 1.00 . A A . 31 LEU HD21 1 1 15 8065 1 1 32 LEU HD22 H -8.008 -0.421 5.816 1.00 . A A . 31 LEU HD22 1 1 15 8066 1 1 32 LEU HD23 H -7.277 -1.482 4.611 1.00 . A A . 31 LEU HD23 1 1 15 8067 1 1 32 LEU HG H -10.194 -0.754 4.826 1.00 . A A . 31 LEU HG 1 1 15 8068 1 1 32 LEU N N -9.531 1.652 1.448 1.00 . A A . 31 LEU N 1 1 15 8069 1 1 32 LEU O O -12.272 0.725 3.382 1.00 . A A . 31 LEU O 1 1 15 8070 1 1 33 ALA C C -13.161 3.613 3.443 1.00 . A A . 32 ALA C 1 1 15 8071 1 1 33 ALA CA C -11.988 3.312 4.363 1.00 . A A . 32 ALA CA 1 1 15 8072 1 1 33 ALA CB C -11.393 4.603 4.891 1.00 . A A . 32 ALA CB 1 1 15 8073 1 1 33 ALA H H -10.085 2.941 3.531 1.00 . A A . 32 ALA H 1 1 15 8074 1 1 33 ALA HA H -12.334 2.730 5.202 1.00 . A A . 32 ALA HA 1 1 15 8075 1 1 33 ALA HB1 H -12.132 5.128 5.476 1.00 . A A . 32 ALA HB1 1 1 15 8076 1 1 33 ALA HB2 H -11.088 5.219 4.057 1.00 . A A . 32 ALA HB2 1 1 15 8077 1 1 33 ALA HB3 H -10.534 4.378 5.507 1.00 . A A . 32 ALA HB3 1 1 15 8078 1 1 33 ALA N N -10.975 2.545 3.661 1.00 . A A . 32 ALA N 1 1 15 8079 1 1 33 ALA O O -14.321 3.525 3.841 1.00 . A A . 32 ALA O 1 1 15 8080 1 1 34 ASP C C -14.689 3.042 0.870 1.00 . A A . 33 ASP C 1 1 15 8081 1 1 34 ASP CA C -13.835 4.267 1.187 1.00 . A A . 33 ASP CA 1 1 15 8082 1 1 34 ASP CB C -13.149 4.781 -0.086 1.00 . A A . 33 ASP CB 1 1 15 8083 1 1 34 ASP CG C -14.126 5.164 -1.181 1.00 . A A . 33 ASP CG 1 1 15 8084 1 1 34 ASP H H -11.881 4.013 1.965 1.00 . A A . 33 ASP H 1 1 15 8085 1 1 34 ASP HA H -14.471 5.043 1.581 1.00 . A A . 33 ASP HA 1 1 15 8086 1 1 34 ASP HB2 H -12.559 5.650 0.160 1.00 . A A . 33 ASP HB2 1 1 15 8087 1 1 34 ASP HB3 H -12.498 4.008 -0.466 1.00 . A A . 33 ASP HB3 1 1 15 8088 1 1 34 ASP N N -12.833 3.956 2.203 1.00 . A A . 33 ASP N 1 1 15 8089 1 1 34 ASP O O -15.852 3.160 0.487 1.00 . A A . 33 ASP O 1 1 15 8090 1 1 34 ASP OD1 O -14.296 4.377 -2.136 1.00 . A A . 33 ASP OD1 1 1 15 8091 1 1 34 ASP OD2 O -14.755 6.237 -1.078 1.00 . A A . 33 ASP OD2 1 1 15 8092 1 1 35 TYR C C -15.626 0.194 2.003 1.00 . A A . 34 TYR C 1 1 15 8093 1 1 35 TYR CA C -14.806 0.617 0.787 1.00 . A A . 34 TYR CA 1 1 15 8094 1 1 35 TYR CB C -13.808 -0.483 0.413 1.00 . A A . 34 TYR CB 1 1 15 8095 1 1 35 TYR CD1 C -15.316 -1.891 -1.039 1.00 . A A . 34 TYR CD1 1 1 15 8096 1 1 35 TYR CD2 C -14.204 -2.947 0.782 1.00 . A A . 34 TYR CD2 1 1 15 8097 1 1 35 TYR CE1 C -15.901 -3.092 -1.382 1.00 . A A . 34 TYR CE1 1 1 15 8098 1 1 35 TYR CE2 C -14.787 -4.151 0.446 1.00 . A A . 34 TYR CE2 1 1 15 8099 1 1 35 TYR CG C -14.458 -1.798 0.047 1.00 . A A . 34 TYR CG 1 1 15 8100 1 1 35 TYR CZ C -15.669 -4.208 -0.615 1.00 . A A . 34 TYR CZ 1 1 15 8101 1 1 35 TYR H H -13.176 1.835 1.365 1.00 . A A . 34 TYR H 1 1 15 8102 1 1 35 TYR HA H -15.475 0.781 -0.043 1.00 . A A . 34 TYR HA 1 1 15 8103 1 1 35 TYR HB2 H -13.224 -0.158 -0.432 1.00 . A A . 34 TYR HB2 1 1 15 8104 1 1 35 TYR HB3 H -13.151 -0.660 1.251 1.00 . A A . 34 TYR HB3 1 1 15 8105 1 1 35 TYR HD1 H -15.525 -1.007 -1.622 1.00 . A A . 34 TYR HD1 1 1 15 8106 1 1 35 TYR HD2 H -13.542 -2.891 1.633 1.00 . A A . 34 TYR HD2 1 1 15 8107 1 1 35 TYR HE1 H -16.566 -3.143 -2.229 1.00 . A A . 34 TYR HE1 1 1 15 8108 1 1 35 TYR HE2 H -14.575 -5.031 1.031 1.00 . A A . 34 TYR HE2 1 1 15 8109 1 1 35 TYR HH H -16.420 -5.917 -0.178 1.00 . A A . 34 TYR HH 1 1 15 8110 1 1 35 TYR N N -14.105 1.865 1.048 1.00 . A A . 34 TYR N 1 1 15 8111 1 1 35 TYR O O -16.707 -0.378 1.870 1.00 . A A . 34 TYR O 1 1 15 8112 1 1 35 TYR OH O -16.214 -5.419 -0.980 1.00 . A A . 34 TYR OH 1 1 15 8113 1 1 36 NH2 HN1 H -14.237 0.927 3.217 1.00 . A A . 35 NH2 HN1 1 1 15 8114 1 1 36 NH2 HN2 H -15.612 0.218 3.988 1.00 . A A . 35 NH2 HN2 1 1 15 8115 1 1 36 NH2 N N -15.106 0.473 3.188 1.00 . A A . 35 NH2 N 1 1 16 8116 1 1 1 ACE C C -13.824 -4.094 -3.435 1.00 . A A . 0 ACE C 1 1 16 8117 1 1 1 ACE CH3 C -14.380 -2.731 -3.142 1.00 . A A . 0 ACE CH3 1 1 16 8118 1 1 1 ACE H1 H -15.058 -2.810 -2.297 1.00 . A A . 0 ACE H1 1 1 16 8119 1 1 1 ACE H2 H -14.916 -2.372 -3.998 1.00 . A A . 0 ACE H2 1 1 16 8120 1 1 1 ACE H3 H -13.557 -2.059 -2.922 1.00 . A A . 0 ACE H3 1 1 16 8121 1 1 1 ACE O O -13.805 -4.535 -4.585 1.00 . A A . 0 ACE O 1 1 16 8122 1 1 2 PRO C C -11.001 -4.014 -2.411 1.00 . A A . 1 PRO C 1 1 16 8123 1 1 2 PRO CA C -12.227 -4.366 -1.571 1.00 . A A . 1 PRO CA 1 1 16 8124 1 1 2 PRO CB C -11.929 -5.588 -0.686 1.00 . A A . 1 PRO CB 1 1 16 8125 1 1 2 PRO CD C -13.908 -6.077 -1.937 1.00 . A A . 1 PRO CD 1 1 16 8126 1 1 2 PRO CG C -12.730 -6.710 -1.252 1.00 . A A . 1 PRO CG 1 1 16 8127 1 1 2 PRO HA H -12.494 -3.522 -0.950 1.00 . A A . 1 PRO HA 1 1 16 8128 1 1 2 PRO HB2 H -10.871 -5.815 -0.724 1.00 . A A . 1 PRO HB2 1 1 16 8129 1 1 2 PRO HB3 H -12.231 -5.395 0.327 1.00 . A A . 1 PRO HB3 1 1 16 8130 1 1 2 PRO HD2 H -14.238 -6.680 -2.772 1.00 . A A . 1 PRO HD2 1 1 16 8131 1 1 2 PRO HD3 H -14.718 -5.917 -1.239 1.00 . A A . 1 PRO HD3 1 1 16 8132 1 1 2 PRO HG2 H -12.129 -7.262 -1.963 1.00 . A A . 1 PRO HG2 1 1 16 8133 1 1 2 PRO HG3 H -13.067 -7.360 -0.459 1.00 . A A . 1 PRO HG3 1 1 16 8134 1 1 2 PRO N N -13.360 -4.801 -2.398 1.00 . A A . 1 PRO N 1 1 16 8135 1 1 2 PRO O O -10.697 -4.699 -3.388 1.00 . A A . 1 PRO O 1 1 16 8136 1 1 3 PRO C C -7.986 -3.534 -2.768 1.00 . A A . 2 PRO C 1 1 16 8137 1 1 3 PRO CA C -9.096 -2.488 -2.776 1.00 . A A . 2 PRO CA 1 1 16 8138 1 1 3 PRO CB C -8.650 -1.230 -2.019 1.00 . A A . 2 PRO CB 1 1 16 8139 1 1 3 PRO CD C -10.586 -2.065 -0.891 1.00 . A A . 2 PRO CD 1 1 16 8140 1 1 3 PRO CG C -9.299 -1.317 -0.681 1.00 . A A . 2 PRO CG 1 1 16 8141 1 1 3 PRO HA H -9.336 -2.230 -3.795 1.00 . A A . 2 PRO HA 1 1 16 8142 1 1 3 PRO HB2 H -7.569 -1.225 -1.925 1.00 . A A . 2 PRO HB2 1 1 16 8143 1 1 3 PRO HB3 H -8.986 -0.346 -2.539 1.00 . A A . 2 PRO HB3 1 1 16 8144 1 1 3 PRO HD2 H -10.830 -2.652 -0.018 1.00 . A A . 2 PRO HD2 1 1 16 8145 1 1 3 PRO HD3 H -11.389 -1.381 -1.123 1.00 . A A . 2 PRO HD3 1 1 16 8146 1 1 3 PRO HG2 H -8.654 -1.853 0.004 1.00 . A A . 2 PRO HG2 1 1 16 8147 1 1 3 PRO HG3 H -9.503 -0.326 -0.308 1.00 . A A . 2 PRO HG3 1 1 16 8148 1 1 3 PRO N N -10.288 -2.936 -2.045 1.00 . A A . 2 PRO N 1 1 16 8149 1 1 3 PRO O O -7.858 -4.313 -1.820 1.00 . A A . 2 PRO O 1 1 16 8150 1 1 4 THR C C -4.916 -4.067 -3.087 1.00 . A A . 3 THR C 1 1 16 8151 1 1 4 THR CA C -6.096 -4.490 -3.951 1.00 . A A . 3 THR CA 1 1 16 8152 1 1 4 THR CB C -5.637 -4.600 -5.416 1.00 . A A . 3 THR CB 1 1 16 8153 1 1 4 THR CG2 C -4.627 -5.723 -5.587 1.00 . A A . 3 THR CG2 1 1 16 8154 1 1 4 THR H H -7.328 -2.884 -4.539 1.00 . A A . 3 THR H 1 1 16 8155 1 1 4 THR HA H -6.442 -5.459 -3.628 1.00 . A A . 3 THR HA 1 1 16 8156 1 1 4 THR HB H -5.173 -3.669 -5.703 1.00 . A A . 3 THR HB 1 1 16 8157 1 1 4 THR HG1 H -7.577 -4.660 -5.766 1.00 . A A . 3 THR HG1 1 1 16 8158 1 1 4 THR HG21 H -3.778 -5.543 -4.944 1.00 . A A . 3 THR HG21 1 1 16 8159 1 1 4 THR HG22 H -4.299 -5.759 -6.615 1.00 . A A . 3 THR HG22 1 1 16 8160 1 1 4 THR HG23 H -5.087 -6.662 -5.322 1.00 . A A . 3 THR HG23 1 1 16 8161 1 1 4 THR N N -7.188 -3.545 -3.826 1.00 . A A . 3 THR N 1 1 16 8162 1 1 4 THR O O -4.504 -2.907 -3.109 1.00 . A A . 3 THR O 1 1 16 8163 1 1 4 THR OG1 O -6.769 -4.842 -6.260 1.00 . A A . 3 THR OG1 1 1 16 8164 1 1 5 LYS C C -1.994 -4.561 -2.356 1.00 . A A . 4 LYS C 1 1 16 8165 1 1 5 LYS CA C -3.231 -4.735 -1.480 1.00 . A A . 4 LYS CA 1 1 16 8166 1 1 5 LYS CB C -3.016 -5.878 -0.486 1.00 . A A . 4 LYS CB 1 1 16 8167 1 1 5 LYS CD C -3.955 -7.324 1.337 1.00 . A A . 4 LYS CD 1 1 16 8168 1 1 5 LYS CE C -5.203 -7.713 2.114 1.00 . A A . 4 LYS CE 1 1 16 8169 1 1 5 LYS CG C -4.208 -6.143 0.415 1.00 . A A . 4 LYS CG 1 1 16 8170 1 1 5 LYS H H -4.779 -5.905 -2.318 1.00 . A A . 4 LYS H 1 1 16 8171 1 1 5 LYS HA H -3.417 -3.820 -0.939 1.00 . A A . 4 LYS HA 1 1 16 8172 1 1 5 LYS HB2 H -2.808 -6.783 -1.041 1.00 . A A . 4 LYS HB2 1 1 16 8173 1 1 5 LYS HB3 H -2.164 -5.642 0.137 1.00 . A A . 4 LYS HB3 1 1 16 8174 1 1 5 LYS HD2 H -3.635 -8.168 0.743 1.00 . A A . 4 LYS HD2 1 1 16 8175 1 1 5 LYS HD3 H -3.175 -7.057 2.036 1.00 . A A . 4 LYS HD3 1 1 16 8176 1 1 5 LYS HE2 H -5.989 -7.950 1.411 1.00 . A A . 4 LYS HE2 1 1 16 8177 1 1 5 LYS HE3 H -4.981 -8.586 2.710 1.00 . A A . 4 LYS HE3 1 1 16 8178 1 1 5 LYS HG2 H -4.396 -5.265 1.017 1.00 . A A . 4 LYS HG2 1 1 16 8179 1 1 5 LYS HG3 H -5.071 -6.352 -0.198 1.00 . A A . 4 LYS HG3 1 1 16 8180 1 1 5 LYS HZ1 H -4.924 -6.356 3.678 1.00 . A A . 4 LYS HZ1 1 1 16 8181 1 1 5 LYS HZ2 H -6.505 -6.936 3.549 1.00 . A A . 4 LYS HZ2 1 1 16 8182 1 1 5 LYS HZ3 H -5.937 -5.784 2.446 1.00 . A A . 4 LYS HZ3 1 1 16 8183 1 1 5 LYS N N -4.387 -5.005 -2.317 1.00 . A A . 4 LYS N 1 1 16 8184 1 1 5 LYS NZ N -5.673 -6.622 3.009 1.00 . A A . 4 LYS NZ 1 1 16 8185 1 1 5 LYS O O -1.811 -5.304 -3.325 1.00 . A A . 4 LYS O 1 1 16 8186 1 1 6 PRO C C 1.002 -4.505 -2.877 1.00 . A A . 5 PRO C 1 1 16 8187 1 1 6 PRO CA C 0.067 -3.302 -2.831 1.00 . A A . 5 PRO CA 1 1 16 8188 1 1 6 PRO CB C 0.737 -2.135 -2.098 1.00 . A A . 5 PRO CB 1 1 16 8189 1 1 6 PRO CD C -1.302 -2.611 -0.941 1.00 . A A . 5 PRO CD 1 1 16 8190 1 1 6 PRO CG C 0.091 -2.076 -0.757 1.00 . A A . 5 PRO CG 1 1 16 8191 1 1 6 PRO HA H -0.171 -3.003 -3.841 1.00 . A A . 5 PRO HA 1 1 16 8192 1 1 6 PRO HB2 H 1.800 -2.324 -2.008 1.00 . A A . 5 PRO HB2 1 1 16 8193 1 1 6 PRO HB3 H 0.565 -1.214 -2.634 1.00 . A A . 5 PRO HB3 1 1 16 8194 1 1 6 PRO HD2 H -1.638 -3.112 -0.041 1.00 . A A . 5 PRO HD2 1 1 16 8195 1 1 6 PRO HD3 H -1.984 -1.813 -1.211 1.00 . A A . 5 PRO HD3 1 1 16 8196 1 1 6 PRO HG2 H 0.646 -2.692 -0.057 1.00 . A A . 5 PRO HG2 1 1 16 8197 1 1 6 PRO HG3 H 0.054 -1.052 -0.415 1.00 . A A . 5 PRO HG3 1 1 16 8198 1 1 6 PRO N N -1.146 -3.565 -2.053 1.00 . A A . 5 PRO N 1 1 16 8199 1 1 6 PRO O O 1.387 -5.050 -1.842 1.00 . A A . 5 PRO O 1 1 16 8200 1 1 7 THR C C 3.714 -5.630 -4.028 1.00 . A A . 6 THR C 1 1 16 8201 1 1 7 THR CA C 2.259 -6.036 -4.288 1.00 . A A . 6 THR CA 1 1 16 8202 1 1 7 THR CB C 2.101 -6.573 -5.724 1.00 . A A . 6 THR CB 1 1 16 8203 1 1 7 THR CG2 C 2.789 -7.919 -5.896 1.00 . A A . 6 THR CG2 1 1 16 8204 1 1 7 THR H H 1.016 -4.433 -4.869 1.00 . A A . 6 THR H 1 1 16 8205 1 1 7 THR HA H 1.979 -6.816 -3.599 1.00 . A A . 6 THR HA 1 1 16 8206 1 1 7 THR HB H 2.544 -5.866 -6.406 1.00 . A A . 6 THR HB 1 1 16 8207 1 1 7 THR HG1 H 0.372 -7.518 -5.608 1.00 . A A . 6 THR HG1 1 1 16 8208 1 1 7 THR HG21 H 3.843 -7.812 -5.689 1.00 . A A . 6 THR HG21 1 1 16 8209 1 1 7 THR HG22 H 2.653 -8.268 -6.908 1.00 . A A . 6 THR HG22 1 1 16 8210 1 1 7 THR HG23 H 2.359 -8.631 -5.208 1.00 . A A . 6 THR HG23 1 1 16 8211 1 1 7 THR N N 1.366 -4.906 -4.083 1.00 . A A . 6 THR N 1 1 16 8212 1 1 7 THR O O 4.636 -6.447 -4.099 1.00 . A A . 6 THR O 1 1 16 8213 1 1 7 THR OG1 O 0.708 -6.718 -6.031 1.00 . A A . 6 THR OG1 1 1 16 8214 1 1 8 LYS C C 5.784 -4.358 -2.137 1.00 . A A . 7 LYS C 1 1 16 8215 1 1 8 LYS CA C 5.223 -3.808 -3.449 1.00 . A A . 7 LYS CA 1 1 16 8216 1 1 8 LYS CB C 5.147 -2.280 -3.389 1.00 . A A . 7 LYS CB 1 1 16 8217 1 1 8 LYS CD C 4.364 -0.147 -4.468 1.00 . A A . 7 LYS CD 1 1 16 8218 1 1 8 LYS CE C 3.366 0.459 -5.443 1.00 . A A . 7 LYS CE 1 1 16 8219 1 1 8 LYS CG C 4.345 -1.666 -4.524 1.00 . A A . 7 LYS CG 1 1 16 8220 1 1 8 LYS H H 3.125 -3.772 -3.641 1.00 . A A . 7 LYS H 1 1 16 8221 1 1 8 LYS HA H 5.871 -4.100 -4.258 1.00 . A A . 7 LYS HA 1 1 16 8222 1 1 8 LYS HB2 H 4.691 -1.991 -2.456 1.00 . A A . 7 LYS HB2 1 1 16 8223 1 1 8 LYS HB3 H 6.149 -1.880 -3.428 1.00 . A A . 7 LYS HB3 1 1 16 8224 1 1 8 LYS HD2 H 4.111 0.172 -3.468 1.00 . A A . 7 LYS HD2 1 1 16 8225 1 1 8 LYS HD3 H 5.355 0.203 -4.719 1.00 . A A . 7 LYS HD3 1 1 16 8226 1 1 8 LYS HE2 H 2.367 0.230 -5.103 1.00 . A A . 7 LYS HE2 1 1 16 8227 1 1 8 LYS HE3 H 3.502 1.531 -5.459 1.00 . A A . 7 LYS HE3 1 1 16 8228 1 1 8 LYS HG2 H 4.766 -1.986 -5.467 1.00 . A A . 7 LYS HG2 1 1 16 8229 1 1 8 LYS HG3 H 3.320 -2.009 -4.452 1.00 . A A . 7 LYS HG3 1 1 16 8230 1 1 8 LYS HZ1 H 4.503 0.108 -7.161 1.00 . A A . 7 LYS HZ1 1 1 16 8231 1 1 8 LYS HZ2 H 2.869 0.402 -7.471 1.00 . A A . 7 LYS HZ2 1 1 16 8232 1 1 8 LYS HZ3 H 3.351 -1.094 -6.844 1.00 . A A . 7 LYS HZ3 1 1 16 8233 1 1 8 LYS N N 3.902 -4.358 -3.708 1.00 . A A . 7 LYS N 1 1 16 8234 1 1 8 LYS NZ N 3.535 -0.070 -6.824 1.00 . A A . 7 LYS NZ 1 1 16 8235 1 1 8 LYS O O 5.027 -4.704 -1.230 1.00 . A A . 7 LYS O 1 1 16 8236 1 1 9 PRO C C 7.533 -4.108 0.397 1.00 . A A . 8 PRO C 1 1 16 8237 1 1 9 PRO CA C 7.783 -4.979 -0.831 1.00 . A A . 8 PRO CA 1 1 16 8238 1 1 9 PRO CB C 9.268 -4.962 -1.200 1.00 . A A . 8 PRO CB 1 1 16 8239 1 1 9 PRO CD C 8.085 -4.084 -3.076 1.00 . A A . 8 PRO CD 1 1 16 8240 1 1 9 PRO CG C 9.384 -3.997 -2.325 1.00 . A A . 8 PRO CG 1 1 16 8241 1 1 9 PRO HA H 7.476 -5.990 -0.618 1.00 . A A . 8 PRO HA 1 1 16 8242 1 1 9 PRO HB2 H 9.852 -4.635 -0.348 1.00 . A A . 8 PRO HB2 1 1 16 8243 1 1 9 PRO HB3 H 9.584 -5.942 -1.515 1.00 . A A . 8 PRO HB3 1 1 16 8244 1 1 9 PRO HD2 H 7.828 -3.126 -3.509 1.00 . A A . 8 PRO HD2 1 1 16 8245 1 1 9 PRO HD3 H 8.138 -4.845 -3.842 1.00 . A A . 8 PRO HD3 1 1 16 8246 1 1 9 PRO HG2 H 9.530 -2.999 -1.932 1.00 . A A . 8 PRO HG2 1 1 16 8247 1 1 9 PRO HG3 H 10.207 -4.274 -2.967 1.00 . A A . 8 PRO HG3 1 1 16 8248 1 1 9 PRO N N 7.118 -4.461 -2.031 1.00 . A A . 8 PRO N 1 1 16 8249 1 1 9 PRO O O 7.552 -2.879 0.318 1.00 . A A . 8 PRO O 1 1 16 8250 1 1 10 GLY C C 7.527 -4.775 3.977 1.00 . A A . 9 GLY C 1 1 16 8251 1 1 10 GLY CA C 7.034 -4.034 2.756 1.00 . A A . 9 GLY CA 1 1 16 8252 1 1 10 GLY H H 7.318 -5.734 1.531 1.00 . A A . 9 GLY H 1 1 16 8253 1 1 10 GLY HA2 H 7.523 -3.073 2.709 1.00 . A A . 9 GLY HA2 1 1 16 8254 1 1 10 GLY HA3 H 5.969 -3.883 2.845 1.00 . A A . 9 GLY HA3 1 1 16 8255 1 1 10 GLY N N 7.304 -4.755 1.528 1.00 . A A . 9 GLY N 1 1 16 8256 1 1 10 GLY O O 7.110 -4.492 5.099 1.00 . A A . 9 GLY O 1 1 16 8257 1 1 11 ASP C C 10.472 -6.255 4.968 1.00 . A A . 10 ASP C 1 1 16 8258 1 1 11 ASP CA C 8.979 -6.519 4.845 1.00 . A A . 10 ASP CA 1 1 16 8259 1 1 11 ASP CB C 8.731 -8.016 4.615 1.00 . A A . 10 ASP CB 1 1 16 8260 1 1 11 ASP CG C 7.258 -8.379 4.619 1.00 . A A . 10 ASP CG 1 1 16 8261 1 1 11 ASP H H 8.722 -5.887 2.841 1.00 . A A . 10 ASP H 1 1 16 8262 1 1 11 ASP HA H 8.496 -6.217 5.759 1.00 . A A . 10 ASP HA 1 1 16 8263 1 1 11 ASP HB2 H 9.146 -8.298 3.660 1.00 . A A . 10 ASP HB2 1 1 16 8264 1 1 11 ASP HB3 H 9.224 -8.578 5.395 1.00 . A A . 10 ASP HB3 1 1 16 8265 1 1 11 ASP N N 8.421 -5.724 3.758 1.00 . A A . 10 ASP N 1 1 16 8266 1 1 11 ASP O O 10.994 -6.044 6.064 1.00 . A A . 10 ASP O 1 1 16 8267 1 1 11 ASP OD1 O 6.695 -8.597 5.715 1.00 . A A . 10 ASP OD1 1 1 16 8268 1 1 11 ASP OD2 O 6.651 -8.443 3.529 1.00 . A A . 10 ASP OD2 1 1 16 8269 1 1 12 ASN C C 12.880 -5.341 2.409 1.00 . A A . 11 ASN C 1 1 16 8270 1 1 12 ASN CA C 12.571 -5.974 3.756 1.00 . A A . 11 ASN CA 1 1 16 8271 1 1 12 ASN CB C 13.396 -7.251 3.939 1.00 . A A . 11 ASN CB 1 1 16 8272 1 1 12 ASN CG C 14.890 -7.018 3.791 1.00 . A A . 11 ASN CG 1 1 16 8273 1 1 12 ASN H H 10.665 -6.475 3.001 1.00 . A A . 11 ASN H 1 1 16 8274 1 1 12 ASN HA H 12.812 -5.275 4.542 1.00 . A A . 11 ASN HA 1 1 16 8275 1 1 12 ASN HB2 H 13.210 -7.650 4.923 1.00 . A A . 11 ASN HB2 1 1 16 8276 1 1 12 ASN HB3 H 13.090 -7.976 3.200 1.00 . A A . 11 ASN HB3 1 1 16 8277 1 1 12 ASN HD21 H 15.062 -6.644 5.735 1.00 . A A . 11 ASN HD21 1 1 16 8278 1 1 12 ASN HD22 H 16.527 -6.562 4.820 1.00 . A A . 11 ASN HD22 1 1 16 8279 1 1 12 ASN N N 11.145 -6.266 3.830 1.00 . A A . 11 ASN N 1 1 16 8280 1 1 12 ASN ND2 N 15.558 -6.708 4.892 1.00 . A A . 11 ASN ND2 1 1 16 8281 1 1 12 ASN O O 12.846 -6.016 1.380 1.00 . A A . 11 ASN O 1 1 16 8282 1 1 12 ASN OD1 O 15.440 -7.122 2.696 1.00 . A A . 11 ASN OD1 1 1 16 8283 1 1 13 ALA C C 14.139 -2.026 1.453 1.00 . A A . 12 ALA C 1 1 16 8284 1 1 13 ALA CA C 13.368 -3.305 1.183 1.00 . A A . 12 ALA CA 1 1 16 8285 1 1 13 ALA CB C 12.029 -2.991 0.531 1.00 . A A . 12 ALA CB 1 1 16 8286 1 1 13 ALA H H 13.237 -3.577 3.270 1.00 . A A . 12 ALA H 1 1 16 8287 1 1 13 ALA HA H 13.938 -3.923 0.507 1.00 . A A . 12 ALA HA 1 1 16 8288 1 1 13 ALA HB1 H 12.196 -2.491 -0.411 1.00 . A A . 12 ALA HB1 1 1 16 8289 1 1 13 ALA HB2 H 11.453 -2.350 1.182 1.00 . A A . 12 ALA HB2 1 1 16 8290 1 1 13 ALA HB3 H 11.490 -3.910 0.361 1.00 . A A . 12 ALA HB3 1 1 16 8291 1 1 13 ALA N N 13.158 -4.047 2.414 1.00 . A A . 12 ALA N 1 1 16 8292 1 1 13 ALA O O 14.406 -1.687 2.607 1.00 . A A . 12 ALA O 1 1 16 8293 1 1 14 THR C C 14.242 1.016 1.027 1.00 . A A . 13 THR C 1 1 16 8294 1 1 14 THR CA C 15.190 -0.058 0.509 1.00 . A A . 13 THR CA 1 1 16 8295 1 1 14 THR CB C 15.775 0.369 -0.847 1.00 . A A . 13 THR CB 1 1 16 8296 1 1 14 THR CG2 C 16.864 -0.599 -1.277 1.00 . A A . 13 THR CG2 1 1 16 8297 1 1 14 THR H H 14.296 -1.676 -0.505 1.00 . A A . 13 THR H 1 1 16 8298 1 1 14 THR HA H 16.003 -0.175 1.210 1.00 . A A . 13 THR HA 1 1 16 8299 1 1 14 THR HB H 16.207 1.351 -0.745 1.00 . A A . 13 THR HB 1 1 16 8300 1 1 14 THR HG1 H 15.129 0.629 -2.698 1.00 . A A . 13 THR HG1 1 1 16 8301 1 1 14 THR HG21 H 17.660 -0.588 -0.547 1.00 . A A . 13 THR HG21 1 1 16 8302 1 1 14 THR HG22 H 17.252 -0.302 -2.238 1.00 . A A . 13 THR HG22 1 1 16 8303 1 1 14 THR HG23 H 16.452 -1.595 -1.344 1.00 . A A . 13 THR HG23 1 1 16 8304 1 1 14 THR N N 14.500 -1.328 0.391 1.00 . A A . 13 THR N 1 1 16 8305 1 1 14 THR O O 13.036 0.949 0.788 1.00 . A A . 13 THR O 1 1 16 8306 1 1 14 THR OG1 O 14.742 0.407 -1.842 1.00 . A A . 13 THR OG1 1 1 16 8307 1 1 15 PRO C C 13.155 3.828 1.264 1.00 . A A . 14 PRO C 1 1 16 8308 1 1 15 PRO CA C 13.950 3.085 2.330 1.00 . A A . 14 PRO CA 1 1 16 8309 1 1 15 PRO CB C 14.974 4.013 2.997 1.00 . A A . 14 PRO CB 1 1 16 8310 1 1 15 PRO CD C 16.192 2.181 2.074 1.00 . A A . 14 PRO CD 1 1 16 8311 1 1 15 PRO CG C 16.290 3.640 2.425 1.00 . A A . 14 PRO CG 1 1 16 8312 1 1 15 PRO HA H 13.270 2.699 3.074 1.00 . A A . 14 PRO HA 1 1 16 8313 1 1 15 PRO HB2 H 14.735 5.044 2.770 1.00 . A A . 14 PRO HB2 1 1 16 8314 1 1 15 PRO HB3 H 14.980 3.856 4.062 1.00 . A A . 14 PRO HB3 1 1 16 8315 1 1 15 PRO HD2 H 16.809 1.951 1.220 1.00 . A A . 14 PRO HD2 1 1 16 8316 1 1 15 PRO HD3 H 16.468 1.565 2.917 1.00 . A A . 14 PRO HD3 1 1 16 8317 1 1 15 PRO HG2 H 16.482 4.239 1.540 1.00 . A A . 14 PRO HG2 1 1 16 8318 1 1 15 PRO HG3 H 17.066 3.791 3.162 1.00 . A A . 14 PRO HG3 1 1 16 8319 1 1 15 PRO N N 14.767 2.014 1.754 1.00 . A A . 14 PRO N 1 1 16 8320 1 1 15 PRO O O 12.010 4.218 1.491 1.00 . A A . 14 PRO O 1 1 16 8321 1 1 16 GLU C C 11.884 3.831 -1.468 1.00 . A A . 15 GLU C 1 1 16 8322 1 1 16 GLU CA C 13.096 4.643 -1.027 1.00 . A A . 15 GLU CA 1 1 16 8323 1 1 16 GLU CB C 14.067 4.806 -2.197 1.00 . A A . 15 GLU CB 1 1 16 8324 1 1 16 GLU CD C 14.357 5.428 -4.627 1.00 . A A . 15 GLU CD 1 1 16 8325 1 1 16 GLU CG C 13.439 5.447 -3.425 1.00 . A A . 15 GLU CG 1 1 16 8326 1 1 16 GLU H H 14.673 3.654 -0.026 1.00 . A A . 15 GLU H 1 1 16 8327 1 1 16 GLU HA H 12.770 5.617 -0.699 1.00 . A A . 15 GLU HA 1 1 16 8328 1 1 16 GLU HB2 H 14.897 5.422 -1.878 1.00 . A A . 15 GLU HB2 1 1 16 8329 1 1 16 GLU HB3 H 14.442 3.832 -2.476 1.00 . A A . 15 GLU HB3 1 1 16 8330 1 1 16 GLU HG2 H 12.532 4.913 -3.676 1.00 . A A . 15 GLU HG2 1 1 16 8331 1 1 16 GLU HG3 H 13.196 6.474 -3.193 1.00 . A A . 15 GLU HG3 1 1 16 8332 1 1 16 GLU N N 13.758 3.991 0.092 1.00 . A A . 15 GLU N 1 1 16 8333 1 1 16 GLU O O 10.813 4.379 -1.749 1.00 . A A . 15 GLU O 1 1 16 8334 1 1 16 GLU OE1 O 14.585 4.333 -5.188 1.00 . A A . 15 GLU OE1 1 1 16 8335 1 1 16 GLU OE2 O 14.842 6.504 -5.031 1.00 . A A . 15 GLU OE2 1 1 16 8336 1 1 17 LYS C C 9.943 1.469 -0.889 1.00 . A A . 16 LYS C 1 1 16 8337 1 1 17 LYS CA C 11.011 1.621 -1.961 1.00 . A A . 16 LYS CA 1 1 16 8338 1 1 17 LYS CB C 11.599 0.252 -2.314 1.00 . A A . 16 LYS CB 1 1 16 8339 1 1 17 LYS CD C 10.326 -0.072 -4.443 1.00 . A A . 16 LYS CD 1 1 16 8340 1 1 17 LYS CE C 9.309 -0.921 -5.180 1.00 . A A . 16 LYS CE 1 1 16 8341 1 1 17 LYS CG C 10.637 -0.643 -3.071 1.00 . A A . 16 LYS CG 1 1 16 8342 1 1 17 LYS H H 12.913 2.139 -1.211 1.00 . A A . 16 LYS H 1 1 16 8343 1 1 17 LYS HA H 10.564 2.053 -2.839 1.00 . A A . 16 LYS HA 1 1 16 8344 1 1 17 LYS HB2 H 12.479 0.396 -2.926 1.00 . A A . 16 LYS HB2 1 1 16 8345 1 1 17 LYS HB3 H 11.884 -0.251 -1.402 1.00 . A A . 16 LYS HB3 1 1 16 8346 1 1 17 LYS HD2 H 9.928 0.923 -4.327 1.00 . A A . 16 LYS HD2 1 1 16 8347 1 1 17 LYS HD3 H 11.238 -0.034 -5.021 1.00 . A A . 16 LYS HD3 1 1 16 8348 1 1 17 LYS HE2 H 9.668 -1.938 -5.217 1.00 . A A . 16 LYS HE2 1 1 16 8349 1 1 17 LYS HE3 H 8.376 -0.890 -4.639 1.00 . A A . 16 LYS HE3 1 1 16 8350 1 1 17 LYS HG2 H 11.083 -1.619 -3.189 1.00 . A A . 16 LYS HG2 1 1 16 8351 1 1 17 LYS HG3 H 9.718 -0.728 -2.508 1.00 . A A . 16 LYS HG3 1 1 16 8352 1 1 17 LYS HZ1 H 8.749 0.549 -6.552 1.00 . A A . 16 LYS HZ1 1 1 16 8353 1 1 17 LYS HZ2 H 8.363 -1.026 -7.035 1.00 . A A . 16 LYS HZ2 1 1 16 8354 1 1 17 LYS HZ3 H 9.965 -0.487 -7.112 1.00 . A A . 16 LYS HZ3 1 1 16 8355 1 1 17 LYS N N 12.058 2.516 -1.507 1.00 . A A . 16 LYS N 1 1 16 8356 1 1 17 LYS NZ N 9.082 -0.438 -6.565 1.00 . A A . 16 LYS NZ 1 1 16 8357 1 1 17 LYS O O 8.749 1.436 -1.187 1.00 . A A . 16 LYS O 1 1 16 8358 1 1 18 LEU C C 8.606 2.541 1.587 1.00 . A A . 17 LEU C 1 1 16 8359 1 1 18 LEU CA C 9.470 1.295 1.486 1.00 . A A . 17 LEU CA 1 1 16 8360 1 1 18 LEU CB C 10.243 1.085 2.784 1.00 . A A . 17 LEU CB 1 1 16 8361 1 1 18 LEU CD1 C 11.705 -0.345 4.218 1.00 . A A . 17 LEU CD1 1 1 16 8362 1 1 18 LEU CD2 C 9.817 -1.375 2.948 1.00 . A A . 17 LEU CD2 1 1 16 8363 1 1 18 LEU CG C 10.883 -0.291 2.944 1.00 . A A . 17 LEU CG 1 1 16 8364 1 1 18 LEU H H 11.350 1.366 0.527 1.00 . A A . 17 LEU H 1 1 16 8365 1 1 18 LEU HA H 8.829 0.445 1.319 1.00 . A A . 17 LEU HA 1 1 16 8366 1 1 18 LEU HB2 H 11.022 1.828 2.834 1.00 . A A . 17 LEU HB2 1 1 16 8367 1 1 18 LEU HB3 H 9.567 1.244 3.610 1.00 . A A . 17 LEU HB3 1 1 16 8368 1 1 18 LEU HD11 H 11.068 -0.144 5.064 1.00 . A A . 17 LEU HD11 1 1 16 8369 1 1 18 LEU HD12 H 12.489 0.396 4.171 1.00 . A A . 17 LEU HD12 1 1 16 8370 1 1 18 LEU HD13 H 12.143 -1.327 4.323 1.00 . A A . 17 LEU HD13 1 1 16 8371 1 1 18 LEU HD21 H 9.100 -1.170 3.729 1.00 . A A . 17 LEU HD21 1 1 16 8372 1 1 18 LEU HD22 H 10.280 -2.333 3.124 1.00 . A A . 17 LEU HD22 1 1 16 8373 1 1 18 LEU HD23 H 9.314 -1.388 1.992 1.00 . A A . 17 LEU HD23 1 1 16 8374 1 1 18 LEU HG H 11.545 -0.472 2.110 1.00 . A A . 17 LEU HG 1 1 16 8375 1 1 18 LEU N N 10.381 1.385 0.359 1.00 . A A . 17 LEU N 1 1 16 8376 1 1 18 LEU O O 7.430 2.459 1.926 1.00 . A A . 17 LEU O 1 1 16 8377 1 1 19 ALA C C 7.384 4.904 0.186 1.00 . A A . 18 ALA C 1 1 16 8378 1 1 19 ALA CA C 8.449 4.940 1.273 1.00 . A A . 18 ALA CA 1 1 16 8379 1 1 19 ALA CB C 9.385 6.112 1.057 1.00 . A A . 18 ALA CB 1 1 16 8380 1 1 19 ALA H H 10.154 3.708 1.097 1.00 . A A . 18 ALA H 1 1 16 8381 1 1 19 ALA HA H 7.973 5.058 2.233 1.00 . A A . 18 ALA HA 1 1 16 8382 1 1 19 ALA HB1 H 10.132 6.122 1.835 1.00 . A A . 18 ALA HB1 1 1 16 8383 1 1 19 ALA HB2 H 8.822 7.033 1.085 1.00 . A A . 18 ALA HB2 1 1 16 8384 1 1 19 ALA HB3 H 9.866 6.013 0.096 1.00 . A A . 18 ALA HB3 1 1 16 8385 1 1 19 ALA N N 9.193 3.694 1.293 1.00 . A A . 18 ALA N 1 1 16 8386 1 1 19 ALA O O 6.262 5.370 0.383 1.00 . A A . 18 ALA O 1 1 16 8387 1 1 20 LYS C C 5.686 3.204 -1.633 1.00 . A A . 19 LYS C 1 1 16 8388 1 1 20 LYS CA C 6.800 4.158 -2.052 1.00 . A A . 19 LYS CA 1 1 16 8389 1 1 20 LYS CB C 7.523 3.625 -3.295 1.00 . A A . 19 LYS CB 1 1 16 8390 1 1 20 LYS CD C 5.967 4.721 -4.943 1.00 . A A . 19 LYS CD 1 1 16 8391 1 1 20 LYS CE C 5.030 4.501 -6.119 1.00 . A A . 19 LYS CE 1 1 16 8392 1 1 20 LYS CG C 6.616 3.420 -4.500 1.00 . A A . 19 LYS CG 1 1 16 8393 1 1 20 LYS H H 8.669 4.032 -1.069 1.00 . A A . 19 LYS H 1 1 16 8394 1 1 20 LYS HA H 6.369 5.120 -2.277 1.00 . A A . 19 LYS HA 1 1 16 8395 1 1 20 LYS HB2 H 8.298 4.323 -3.571 1.00 . A A . 19 LYS HB2 1 1 16 8396 1 1 20 LYS HB3 H 7.979 2.676 -3.050 1.00 . A A . 19 LYS HB3 1 1 16 8397 1 1 20 LYS HD2 H 5.403 5.129 -4.120 1.00 . A A . 19 LYS HD2 1 1 16 8398 1 1 20 LYS HD3 H 6.740 5.418 -5.235 1.00 . A A . 19 LYS HD3 1 1 16 8399 1 1 20 LYS HE2 H 5.602 4.111 -6.948 1.00 . A A . 19 LYS HE2 1 1 16 8400 1 1 20 LYS HE3 H 4.277 3.782 -5.832 1.00 . A A . 19 LYS HE3 1 1 16 8401 1 1 20 LYS HG2 H 7.203 3.028 -5.316 1.00 . A A . 19 LYS HG2 1 1 16 8402 1 1 20 LYS HG3 H 5.843 2.712 -4.238 1.00 . A A . 19 LYS HG3 1 1 16 8403 1 1 20 LYS HZ1 H 5.066 6.437 -6.893 1.00 . A A . 19 LYS HZ1 1 1 16 8404 1 1 20 LYS HZ2 H 3.858 6.187 -5.743 1.00 . A A . 19 LYS HZ2 1 1 16 8405 1 1 20 LYS HZ3 H 3.678 5.564 -7.303 1.00 . A A . 19 LYS HZ3 1 1 16 8406 1 1 20 LYS N N 7.743 4.336 -0.957 1.00 . A A . 19 LYS N 1 1 16 8407 1 1 20 LYS NZ N 4.363 5.758 -6.544 1.00 . A A . 19 LYS NZ 1 1 16 8408 1 1 20 LYS O O 4.517 3.409 -1.964 1.00 . A A . 19 LYS O 1 1 16 8409 1 1 21 TYR C C 4.177 1.931 0.630 1.00 . A A . 20 TYR C 1 1 16 8410 1 1 21 TYR CA C 5.102 1.225 -0.351 1.00 . A A . 20 TYR CA 1 1 16 8411 1 1 21 TYR CB C 5.823 0.059 0.340 1.00 . A A . 20 TYR CB 1 1 16 8412 1 1 21 TYR CD1 C 4.157 -1.837 0.455 1.00 . A A . 20 TYR CD1 1 1 16 8413 1 1 21 TYR CD2 C 4.779 -0.767 2.493 1.00 . A A . 20 TYR CD2 1 1 16 8414 1 1 21 TYR CE1 C 3.325 -2.689 1.151 1.00 . A A . 20 TYR CE1 1 1 16 8415 1 1 21 TYR CE2 C 3.945 -1.617 3.196 1.00 . A A . 20 TYR CE2 1 1 16 8416 1 1 21 TYR CG C 4.899 -0.862 1.111 1.00 . A A . 20 TYR CG 1 1 16 8417 1 1 21 TYR CZ C 3.185 -2.528 2.533 1.00 . A A . 20 TYR CZ 1 1 16 8418 1 1 21 TYR H H 7.021 2.024 -0.728 1.00 . A A . 20 TYR H 1 1 16 8419 1 1 21 TYR HA H 4.511 0.839 -1.168 1.00 . A A . 20 TYR HA 1 1 16 8420 1 1 21 TYR HB2 H 6.333 -0.531 -0.407 1.00 . A A . 20 TYR HB2 1 1 16 8421 1 1 21 TYR HB3 H 6.550 0.458 1.034 1.00 . A A . 20 TYR HB3 1 1 16 8422 1 1 21 TYR HD1 H 4.237 -1.923 -0.617 1.00 . A A . 20 TYR HD1 1 1 16 8423 1 1 21 TYR HD2 H 5.345 -0.014 3.018 1.00 . A A . 20 TYR HD2 1 1 16 8424 1 1 21 TYR HE1 H 2.759 -3.440 0.622 1.00 . A A . 20 TYR HE1 1 1 16 8425 1 1 21 TYR HE2 H 3.863 -1.528 4.269 1.00 . A A . 20 TYR HE2 1 1 16 8426 1 1 21 TYR HH H 2.555 -4.339 2.924 1.00 . A A . 20 TYR HH 1 1 16 8427 1 1 21 TYR N N 6.064 2.164 -0.901 1.00 . A A . 20 TYR N 1 1 16 8428 1 1 21 TYR O O 2.967 1.762 0.571 1.00 . A A . 20 TYR O 1 1 16 8429 1 1 21 TYR OH O 2.391 -3.430 3.212 1.00 . A A . 20 TYR OH 1 1 16 8430 1 1 22 GLN C C 3.014 4.435 1.832 1.00 . A A . 21 GLN C 1 1 16 8431 1 1 22 GLN CA C 3.981 3.473 2.508 1.00 . A A . 21 GLN CA 1 1 16 8432 1 1 22 GLN CB C 4.910 4.244 3.448 1.00 . A A . 21 GLN CB 1 1 16 8433 1 1 22 GLN CD C 6.783 4.121 5.146 1.00 . A A . 21 GLN CD 1 1 16 8434 1 1 22 GLN CG C 5.746 3.348 4.351 1.00 . A A . 21 GLN CG 1 1 16 8435 1 1 22 GLN H H 5.735 2.839 1.498 1.00 . A A . 21 GLN H 1 1 16 8436 1 1 22 GLN HA H 3.412 2.759 3.081 1.00 . A A . 21 GLN HA 1 1 16 8437 1 1 22 GLN HB2 H 5.580 4.849 2.857 1.00 . A A . 21 GLN HB2 1 1 16 8438 1 1 22 GLN HB3 H 4.313 4.891 4.072 1.00 . A A . 21 GLN HB3 1 1 16 8439 1 1 22 GLN HE21 H 7.966 2.526 5.206 1.00 . A A . 21 GLN HE21 1 1 16 8440 1 1 22 GLN HE22 H 8.570 3.941 5.990 1.00 . A A . 21 GLN HE22 1 1 16 8441 1 1 22 GLN HG2 H 5.091 2.841 5.043 1.00 . A A . 21 GLN HG2 1 1 16 8442 1 1 22 GLN HG3 H 6.255 2.619 3.737 1.00 . A A . 21 GLN HG3 1 1 16 8443 1 1 22 GLN N N 4.755 2.737 1.514 1.00 . A A . 21 GLN N 1 1 16 8444 1 1 22 GLN NE2 N 7.882 3.463 5.481 1.00 . A A . 21 GLN NE2 1 1 16 8445 1 1 22 GLN O O 1.877 4.595 2.274 1.00 . A A . 21 GLN O 1 1 16 8446 1 1 22 GLN OE1 O 6.596 5.298 5.462 1.00 . A A . 21 GLN OE1 1 1 16 8447 1 1 23 ALA C C 1.450 5.253 -0.618 1.00 . A A . 22 ALA C 1 1 16 8448 1 1 23 ALA CA C 2.641 5.979 -0.004 1.00 . A A . 22 ALA CA 1 1 16 8449 1 1 23 ALA CB C 3.467 6.655 -1.086 1.00 . A A . 22 ALA CB 1 1 16 8450 1 1 23 ALA H H 4.396 4.903 0.468 1.00 . A A . 22 ALA H 1 1 16 8451 1 1 23 ALA HA H 2.279 6.737 0.672 1.00 . A A . 22 ALA HA 1 1 16 8452 1 1 23 ALA HB1 H 4.306 7.163 -0.632 1.00 . A A . 22 ALA HB1 1 1 16 8453 1 1 23 ALA HB2 H 2.856 7.371 -1.614 1.00 . A A . 22 ALA HB2 1 1 16 8454 1 1 23 ALA HB3 H 3.832 5.911 -1.779 1.00 . A A . 22 ALA HB3 1 1 16 8455 1 1 23 ALA N N 3.469 5.060 0.756 1.00 . A A . 22 ALA N 1 1 16 8456 1 1 23 ALA O O 0.310 5.714 -0.529 1.00 . A A . 22 ALA O 1 1 16 8457 1 1 24 ASP C C -0.220 2.657 -0.835 1.00 . A A . 23 ASP C 1 1 16 8458 1 1 24 ASP CA C 0.671 3.331 -1.878 1.00 . A A . 23 ASP CA 1 1 16 8459 1 1 24 ASP CB C 1.288 2.289 -2.819 1.00 . A A . 23 ASP CB 1 1 16 8460 1 1 24 ASP CG C 0.274 1.707 -3.787 1.00 . A A . 23 ASP CG 1 1 16 8461 1 1 24 ASP H H 2.641 3.768 -1.223 1.00 . A A . 23 ASP H 1 1 16 8462 1 1 24 ASP HA H 0.070 4.018 -2.457 1.00 . A A . 23 ASP HA 1 1 16 8463 1 1 24 ASP HB2 H 2.077 2.753 -3.394 1.00 . A A . 23 ASP HB2 1 1 16 8464 1 1 24 ASP HB3 H 1.702 1.482 -2.228 1.00 . A A . 23 ASP HB3 1 1 16 8465 1 1 24 ASP N N 1.718 4.105 -1.221 1.00 . A A . 23 ASP N 1 1 16 8466 1 1 24 ASP O O -1.425 2.505 -1.031 1.00 . A A . 23 ASP O 1 1 16 8467 1 1 24 ASP OD1 O -0.257 0.611 -3.519 1.00 . A A . 23 ASP OD1 1 1 16 8468 1 1 24 ASP OD2 O 0.013 2.342 -4.832 1.00 . A A . 23 ASP OD2 1 1 16 8469 1 1 25 LEU C C -1.290 2.710 2.004 1.00 . A A . 24 LEU C 1 1 16 8470 1 1 25 LEU CA C -0.338 1.678 1.398 1.00 . A A . 24 LEU CA 1 1 16 8471 1 1 25 LEU CB C 0.668 1.156 2.442 1.00 . A A . 24 LEU CB 1 1 16 8472 1 1 25 LEU CD1 C -0.582 0.986 4.616 1.00 . A A . 24 LEU CD1 1 1 16 8473 1 1 25 LEU CD2 C -0.827 -0.807 2.908 1.00 . A A . 24 LEU CD2 1 1 16 8474 1 1 25 LEU CG C 0.119 0.212 3.520 1.00 . A A . 24 LEU CG 1 1 16 8475 1 1 25 LEU H H 1.361 2.371 0.352 1.00 . A A . 24 LEU H 1 1 16 8476 1 1 25 LEU HA H -0.918 0.852 1.019 1.00 . A A . 24 LEU HA 1 1 16 8477 1 1 25 LEU HB2 H 1.458 0.636 1.917 1.00 . A A . 24 LEU HB2 1 1 16 8478 1 1 25 LEU HB3 H 1.101 2.009 2.940 1.00 . A A . 24 LEU HB3 1 1 16 8479 1 1 25 LEU HD11 H -0.960 0.300 5.358 1.00 . A A . 24 LEU HD11 1 1 16 8480 1 1 25 LEU HD12 H -1.400 1.548 4.191 1.00 . A A . 24 LEU HD12 1 1 16 8481 1 1 25 LEU HD13 H 0.118 1.667 5.078 1.00 . A A . 24 LEU HD13 1 1 16 8482 1 1 25 LEU HD21 H -1.161 -1.492 3.673 1.00 . A A . 24 LEU HD21 1 1 16 8483 1 1 25 LEU HD22 H -0.314 -1.354 2.132 1.00 . A A . 24 LEU HD22 1 1 16 8484 1 1 25 LEU HD23 H -1.678 -0.296 2.488 1.00 . A A . 24 LEU HD23 1 1 16 8485 1 1 25 LEU HG H 0.942 -0.326 3.968 1.00 . A A . 24 LEU HG 1 1 16 8486 1 1 25 LEU N N 0.386 2.268 0.280 1.00 . A A . 24 LEU N 1 1 16 8487 1 1 25 LEU O O -2.419 2.388 2.373 1.00 . A A . 24 LEU O 1 1 16 8488 1 1 26 ALA C C -2.864 5.240 1.635 1.00 . A A . 25 ALA C 1 1 16 8489 1 1 26 ALA CA C -1.669 5.049 2.560 1.00 . A A . 25 ALA CA 1 1 16 8490 1 1 26 ALA CB C -0.855 6.329 2.646 1.00 . A A . 25 ALA CB 1 1 16 8491 1 1 26 ALA H H 0.103 4.139 1.845 1.00 . A A . 25 ALA H 1 1 16 8492 1 1 26 ALA HA H -2.022 4.804 3.549 1.00 . A A . 25 ALA HA 1 1 16 8493 1 1 26 ALA HB1 H -1.468 7.118 3.055 1.00 . A A . 25 ALA HB1 1 1 16 8494 1 1 26 ALA HB2 H -0.521 6.606 1.657 1.00 . A A . 25 ALA HB2 1 1 16 8495 1 1 26 ALA HB3 H 0.000 6.168 3.284 1.00 . A A . 25 ALA HB3 1 1 16 8496 1 1 26 ALA N N -0.832 3.954 2.090 1.00 . A A . 25 ALA N 1 1 16 8497 1 1 26 ALA O O -3.982 5.504 2.083 1.00 . A A . 25 ALA O 1 1 16 8498 1 1 27 LYS C C -4.628 3.993 -0.489 1.00 . A A . 26 LYS C 1 1 16 8499 1 1 27 LYS CA C -3.664 5.164 -0.666 1.00 . A A . 26 LYS CA 1 1 16 8500 1 1 27 LYS CB C -3.046 5.132 -2.067 1.00 . A A . 26 LYS CB 1 1 16 8501 1 1 27 LYS CD C -3.366 5.294 -4.550 1.00 . A A . 26 LYS CD 1 1 16 8502 1 1 27 LYS CE C -4.308 5.711 -5.667 1.00 . A A . 26 LYS CE 1 1 16 8503 1 1 27 LYS CG C -4.034 5.398 -3.188 1.00 . A A . 26 LYS CG 1 1 16 8504 1 1 27 LYS H H -1.688 4.941 0.052 1.00 . A A . 26 LYS H 1 1 16 8505 1 1 27 LYS HA H -4.201 6.089 -0.531 1.00 . A A . 26 LYS HA 1 1 16 8506 1 1 27 LYS HB2 H -2.268 5.879 -2.118 1.00 . A A . 26 LYS HB2 1 1 16 8507 1 1 27 LYS HB3 H -2.606 4.160 -2.229 1.00 . A A . 26 LYS HB3 1 1 16 8508 1 1 27 LYS HD2 H -2.500 5.936 -4.565 1.00 . A A . 26 LYS HD2 1 1 16 8509 1 1 27 LYS HD3 H -3.061 4.270 -4.712 1.00 . A A . 26 LYS HD3 1 1 16 8510 1 1 27 LYS HE2 H -3.792 5.613 -6.611 1.00 . A A . 26 LYS HE2 1 1 16 8511 1 1 27 LYS HE3 H -5.168 5.057 -5.659 1.00 . A A . 26 LYS HE3 1 1 16 8512 1 1 27 LYS HG2 H -4.833 4.674 -3.131 1.00 . A A . 26 LYS HG2 1 1 16 8513 1 1 27 LYS HG3 H -4.438 6.393 -3.069 1.00 . A A . 26 LYS HG3 1 1 16 8514 1 1 27 LYS HZ1 H -3.950 7.759 -5.468 1.00 . A A . 26 LYS HZ1 1 1 16 8515 1 1 27 LYS HZ2 H -5.320 7.223 -4.638 1.00 . A A . 26 LYS HZ2 1 1 16 8516 1 1 27 LYS HZ3 H -5.363 7.391 -6.317 1.00 . A A . 26 LYS HZ3 1 1 16 8517 1 1 27 LYS N N -2.613 5.094 0.340 1.00 . A A . 26 LYS N 1 1 16 8518 1 1 27 LYS NZ N -4.765 7.117 -5.512 1.00 . A A . 26 LYS NZ 1 1 16 8519 1 1 27 LYS O O -5.842 4.143 -0.621 1.00 . A A . 26 LYS O 1 1 16 8520 1 1 28 TYR C C -5.776 1.840 1.277 1.00 . A A . 27 TYR C 1 1 16 8521 1 1 28 TYR CA C -4.851 1.631 0.083 1.00 . A A . 27 TYR CA 1 1 16 8522 1 1 28 TYR CB C -3.918 0.439 0.333 1.00 . A A . 27 TYR CB 1 1 16 8523 1 1 28 TYR CD1 C -5.238 -1.649 -0.186 1.00 . A A . 27 TYR CD1 1 1 16 8524 1 1 28 TYR CD2 C -4.676 -1.213 2.088 1.00 . A A . 27 TYR CD2 1 1 16 8525 1 1 28 TYR CE1 C -5.883 -2.808 0.195 1.00 . A A . 27 TYR CE1 1 1 16 8526 1 1 28 TYR CE2 C -5.319 -2.372 2.475 1.00 . A A . 27 TYR CE2 1 1 16 8527 1 1 28 TYR CG C -4.626 -0.830 0.752 1.00 . A A . 27 TYR CG 1 1 16 8528 1 1 28 TYR CZ C -5.920 -3.165 1.525 1.00 . A A . 27 TYR CZ 1 1 16 8529 1 1 28 TYR H H -3.087 2.783 -0.110 1.00 . A A . 27 TYR H 1 1 16 8530 1 1 28 TYR HA H -5.452 1.434 -0.792 1.00 . A A . 27 TYR HA 1 1 16 8531 1 1 28 TYR HB2 H -3.367 0.223 -0.569 1.00 . A A . 27 TYR HB2 1 1 16 8532 1 1 28 TYR HB3 H -3.222 0.702 1.113 1.00 . A A . 27 TYR HB3 1 1 16 8533 1 1 28 TYR HD1 H -5.209 -1.368 -1.228 1.00 . A A . 27 TYR HD1 1 1 16 8534 1 1 28 TYR HD2 H -4.205 -0.588 2.831 1.00 . A A . 27 TYR HD2 1 1 16 8535 1 1 28 TYR HE1 H -6.350 -3.433 -0.551 1.00 . A A . 27 TYR HE1 1 1 16 8536 1 1 28 TYR HE2 H -5.345 -2.652 3.516 1.00 . A A . 27 TYR HE2 1 1 16 8537 1 1 28 TYR HH H -7.189 -4.117 2.618 1.00 . A A . 27 TYR HH 1 1 16 8538 1 1 28 TYR N N -4.067 2.833 -0.172 1.00 . A A . 27 TYR N 1 1 16 8539 1 1 28 TYR O O -6.951 1.483 1.226 1.00 . A A . 27 TYR O 1 1 16 8540 1 1 28 TYR OH O -6.567 -4.318 1.904 1.00 . A A . 27 TYR OH 1 1 16 8541 1 1 29 GLN C C -7.199 3.623 3.239 1.00 . A A . 28 GLN C 1 1 16 8542 1 1 29 GLN CA C -6.026 2.702 3.541 1.00 . A A . 28 GLN CA 1 1 16 8543 1 1 29 GLN CB C -5.166 3.334 4.637 1.00 . A A . 28 GLN CB 1 1 16 8544 1 1 29 GLN CD C -3.501 3.000 6.498 1.00 . A A . 28 GLN CD 1 1 16 8545 1 1 29 GLN CG C -4.162 2.385 5.279 1.00 . A A . 28 GLN CG 1 1 16 8546 1 1 29 GLN H H -4.299 2.697 2.316 1.00 . A A . 28 GLN H 1 1 16 8547 1 1 29 GLN HA H -6.410 1.758 3.895 1.00 . A A . 28 GLN HA 1 1 16 8548 1 1 29 GLN HB2 H -4.621 4.165 4.213 1.00 . A A . 28 GLN HB2 1 1 16 8549 1 1 29 GLN HB3 H -5.819 3.709 5.413 1.00 . A A . 28 GLN HB3 1 1 16 8550 1 1 29 GLN HE21 H -1.847 1.955 6.174 1.00 . A A . 28 GLN HE21 1 1 16 8551 1 1 29 GLN HE22 H -1.821 2.995 7.553 1.00 . A A . 28 GLN HE22 1 1 16 8552 1 1 29 GLN HG2 H -4.675 1.482 5.583 1.00 . A A . 28 GLN HG2 1 1 16 8553 1 1 29 GLN HG3 H -3.397 2.140 4.555 1.00 . A A . 28 GLN HG3 1 1 16 8554 1 1 29 GLN N N -5.244 2.436 2.339 1.00 . A A . 28 GLN N 1 1 16 8555 1 1 29 GLN NE2 N -2.266 2.613 6.769 1.00 . A A . 28 GLN NE2 1 1 16 8556 1 1 29 GLN O O -8.276 3.471 3.817 1.00 . A A . 28 GLN O 1 1 16 8557 1 1 29 GLN OE1 O -4.102 3.821 7.194 1.00 . A A . 28 GLN OE1 1 1 16 8558 1 1 30 LYS C C -9.228 4.790 1.369 1.00 . A A . 29 LYS C 1 1 16 8559 1 1 30 LYS CA C -8.025 5.517 1.957 1.00 . A A . 29 LYS CA 1 1 16 8560 1 1 30 LYS CB C -7.474 6.563 0.972 1.00 . A A . 29 LYS CB 1 1 16 8561 1 1 30 LYS CD C -8.979 6.932 -1.012 1.00 . A A . 29 LYS CD 1 1 16 8562 1 1 30 LYS CE C -10.280 7.566 -1.471 1.00 . A A . 29 LYS CE 1 1 16 8563 1 1 30 LYS CG C -8.539 7.458 0.348 1.00 . A A . 29 LYS CG 1 1 16 8564 1 1 30 LYS H H -6.109 4.630 1.902 1.00 . A A . 29 LYS H 1 1 16 8565 1 1 30 LYS HA H -8.339 6.020 2.857 1.00 . A A . 29 LYS HA 1 1 16 8566 1 1 30 LYS HB2 H -6.771 7.193 1.496 1.00 . A A . 29 LYS HB2 1 1 16 8567 1 1 30 LYS HB3 H -6.955 6.049 0.174 1.00 . A A . 29 LYS HB3 1 1 16 8568 1 1 30 LYS HD2 H -8.209 7.152 -1.737 1.00 . A A . 29 LYS HD2 1 1 16 8569 1 1 30 LYS HD3 H -9.114 5.862 -0.943 1.00 . A A . 29 LYS HD3 1 1 16 8570 1 1 30 LYS HE2 H -11.054 7.329 -0.755 1.00 . A A . 29 LYS HE2 1 1 16 8571 1 1 30 LYS HE3 H -10.148 8.637 -1.516 1.00 . A A . 29 LYS HE3 1 1 16 8572 1 1 30 LYS HG2 H -9.396 7.492 1.004 1.00 . A A . 29 LYS HG2 1 1 16 8573 1 1 30 LYS HG3 H -8.135 8.453 0.227 1.00 . A A . 29 LYS HG3 1 1 16 8574 1 1 30 LYS HZ1 H -10.065 7.455 -3.544 1.00 . A A . 29 LYS HZ1 1 1 16 8575 1 1 30 LYS HZ2 H -11.669 7.366 -3.017 1.00 . A A . 29 LYS HZ2 1 1 16 8576 1 1 30 LYS HZ3 H -10.645 6.027 -2.841 1.00 . A A . 29 LYS HZ3 1 1 16 8577 1 1 30 LYS N N -6.987 4.569 2.330 1.00 . A A . 29 LYS N 1 1 16 8578 1 1 30 LYS NZ N -10.692 7.071 -2.811 1.00 . A A . 29 LYS NZ 1 1 16 8579 1 1 30 LYS O O -10.342 4.899 1.881 1.00 . A A . 29 LYS O 1 1 16 8580 1 1 31 ASP C C -10.626 2.227 0.551 1.00 . A A . 30 ASP C 1 1 16 8581 1 1 31 ASP CA C -10.065 3.310 -0.361 1.00 . A A . 30 ASP CA 1 1 16 8582 1 1 31 ASP CB C -9.578 2.705 -1.679 1.00 . A A . 30 ASP CB 1 1 16 8583 1 1 31 ASP CG C -9.209 3.769 -2.695 1.00 . A A . 30 ASP CG 1 1 16 8584 1 1 31 ASP H H -8.077 3.969 -0.042 1.00 . A A . 30 ASP H 1 1 16 8585 1 1 31 ASP HA H -10.851 4.016 -0.575 1.00 . A A . 30 ASP HA 1 1 16 8586 1 1 31 ASP HB2 H -8.704 2.095 -1.490 1.00 . A A . 30 ASP HB2 1 1 16 8587 1 1 31 ASP HB3 H -10.362 2.090 -2.097 1.00 . A A . 30 ASP HB3 1 1 16 8588 1 1 31 ASP N N -8.994 4.038 0.303 1.00 . A A . 30 ASP N 1 1 16 8589 1 1 31 ASP O O -11.802 1.880 0.471 1.00 . A A . 30 ASP O 1 1 16 8590 1 1 31 ASP OD1 O -7.999 3.985 -2.931 1.00 . A A . 30 ASP OD1 1 1 16 8591 1 1 31 ASP OD2 O -10.124 4.392 -3.267 1.00 . A A . 30 ASP OD2 1 1 16 8592 1 1 32 LEU C C -11.174 1.284 3.387 1.00 . A A . 31 LEU C 1 1 16 8593 1 1 32 LEU CA C -10.180 0.697 2.392 1.00 . A A . 31 LEU CA 1 1 16 8594 1 1 32 LEU CB C -8.956 0.147 3.130 1.00 . A A . 31 LEU CB 1 1 16 8595 1 1 32 LEU CD1 C -9.790 -2.216 3.364 1.00 . A A . 31 LEU CD1 1 1 16 8596 1 1 32 LEU CD2 C -7.947 -1.370 4.831 1.00 . A A . 31 LEU CD2 1 1 16 8597 1 1 32 LEU CG C -9.226 -1.006 4.098 1.00 . A A . 31 LEU CG 1 1 16 8598 1 1 32 LEU H H -8.835 2.001 1.404 1.00 . A A . 31 LEU H 1 1 16 8599 1 1 32 LEU HA H -10.662 -0.105 1.856 1.00 . A A . 31 LEU HA 1 1 16 8600 1 1 32 LEU HB2 H -8.239 -0.190 2.395 1.00 . A A . 31 LEU HB2 1 1 16 8601 1 1 32 LEU HB3 H -8.511 0.955 3.694 1.00 . A A . 31 LEU HB3 1 1 16 8602 1 1 32 LEU HD11 H -10.748 -1.964 2.937 1.00 . A A . 31 LEU HD11 1 1 16 8603 1 1 32 LEU HD12 H -9.910 -3.034 4.058 1.00 . A A . 31 LEU HD12 1 1 16 8604 1 1 32 LEU HD13 H -9.110 -2.510 2.577 1.00 . A A . 31 LEU HD13 1 1 16 8605 1 1 32 LEU HD21 H -7.608 -0.520 5.404 1.00 . A A . 31 LEU HD21 1 1 16 8606 1 1 32 LEU HD22 H -7.188 -1.643 4.111 1.00 . A A . 31 LEU HD22 1 1 16 8607 1 1 32 LEU HD23 H -8.133 -2.201 5.492 1.00 . A A . 31 LEU HD23 1 1 16 8608 1 1 32 LEU HG H -9.953 -0.691 4.831 1.00 . A A . 31 LEU HG 1 1 16 8609 1 1 32 LEU N N -9.772 1.703 1.420 1.00 . A A . 31 LEU N 1 1 16 8610 1 1 32 LEU O O -12.238 0.719 3.616 1.00 . A A . 31 LEU O 1 1 16 8611 1 1 33 ALA C C -12.975 3.549 4.268 1.00 . A A . 32 ALA C 1 1 16 8612 1 1 33 ALA CA C -11.679 3.106 4.926 1.00 . A A . 32 ALA CA 1 1 16 8613 1 1 33 ALA CB C -10.961 4.306 5.511 1.00 . A A . 32 ALA CB 1 1 16 8614 1 1 33 ALA H H -9.950 2.825 3.738 1.00 . A A . 32 ALA H 1 1 16 8615 1 1 33 ALA HA H -11.901 2.419 5.725 1.00 . A A . 32 ALA HA 1 1 16 8616 1 1 33 ALA HB1 H -10.055 3.981 5.999 1.00 . A A . 32 ALA HB1 1 1 16 8617 1 1 33 ALA HB2 H -11.604 4.796 6.227 1.00 . A A . 32 ALA HB2 1 1 16 8618 1 1 33 ALA HB3 H -10.715 4.996 4.717 1.00 . A A . 32 ALA HB3 1 1 16 8619 1 1 33 ALA N N -10.818 2.425 3.966 1.00 . A A . 32 ALA N 1 1 16 8620 1 1 33 ALA O O -14.041 3.543 4.887 1.00 . A A . 32 ALA O 1 1 16 8621 1 1 34 ASP C C -14.966 3.233 1.956 1.00 . A A . 33 ASP C 1 1 16 8622 1 1 34 ASP CA C -14.007 4.390 2.230 1.00 . A A . 33 ASP CA 1 1 16 8623 1 1 34 ASP CB C -13.531 5.005 0.911 1.00 . A A . 33 ASP CB 1 1 16 8624 1 1 34 ASP CG C -14.671 5.514 0.056 1.00 . A A . 33 ASP CG 1 1 16 8625 1 1 34 ASP H H -11.972 3.944 2.592 1.00 . A A . 33 ASP H 1 1 16 8626 1 1 34 ASP HA H -14.522 5.144 2.804 1.00 . A A . 33 ASP HA 1 1 16 8627 1 1 34 ASP HB2 H -12.871 5.833 1.124 1.00 . A A . 33 ASP HB2 1 1 16 8628 1 1 34 ASP HB3 H -12.991 4.258 0.348 1.00 . A A . 33 ASP HB3 1 1 16 8629 1 1 34 ASP N N -12.862 3.943 3.009 1.00 . A A . 33 ASP N 1 1 16 8630 1 1 34 ASP O O -16.186 3.409 1.944 1.00 . A A . 33 ASP O 1 1 16 8631 1 1 34 ASP OD1 O -14.947 4.905 -1.000 1.00 . A A . 33 ASP OD1 1 1 16 8632 1 1 34 ASP OD2 O -15.295 6.527 0.434 1.00 . A A . 33 ASP OD2 1 1 16 8633 1 1 35 TYR C C -15.737 0.267 2.787 1.00 . A A . 34 TYR C 1 1 16 8634 1 1 35 TYR CA C -15.192 0.856 1.486 1.00 . A A . 34 TYR CA 1 1 16 8635 1 1 35 TYR CB C -14.334 -0.175 0.744 1.00 . A A . 34 TYR CB 1 1 16 8636 1 1 35 TYR CD1 C -16.175 -1.605 -0.213 1.00 . A A . 34 TYR CD1 1 1 16 8637 1 1 35 TYR CD2 C -14.475 -2.676 1.065 1.00 . A A . 34 TYR CD2 1 1 16 8638 1 1 35 TYR CE1 C -16.798 -2.819 -0.412 1.00 . A A . 34 TYR CE1 1 1 16 8639 1 1 35 TYR CE2 C -15.091 -3.895 0.869 1.00 . A A . 34 TYR CE2 1 1 16 8640 1 1 35 TYR CG C -15.005 -1.512 0.527 1.00 . A A . 34 TYR CG 1 1 16 8641 1 1 35 TYR CZ C -16.225 -3.977 0.129 1.00 . A A . 34 TYR CZ 1 1 16 8642 1 1 35 TYR H H -13.425 1.982 1.769 1.00 . A A . 34 TYR H 1 1 16 8643 1 1 35 TYR HA H -16.023 1.138 0.858 1.00 . A A . 34 TYR HA 1 1 16 8644 1 1 35 TYR HB2 H -14.074 0.220 -0.227 1.00 . A A . 34 TYR HB2 1 1 16 8645 1 1 35 TYR HB3 H -13.430 -0.346 1.308 1.00 . A A . 34 TYR HB3 1 1 16 8646 1 1 35 TYR HD1 H -16.600 -0.708 -0.638 1.00 . A A . 34 TYR HD1 1 1 16 8647 1 1 35 TYR HD2 H -13.566 -2.621 1.644 1.00 . A A . 34 TYR HD2 1 1 16 8648 1 1 35 TYR HE1 H -17.707 -2.868 -0.989 1.00 . A A . 34 TYR HE1 1 1 16 8649 1 1 35 TYR HE2 H -14.663 -4.789 1.294 1.00 . A A . 34 TYR HE2 1 1 16 8650 1 1 35 TYR HH H -16.832 -5.695 0.747 1.00 . A A . 34 TYR HH 1 1 16 8651 1 1 35 TYR N N -14.404 2.052 1.748 1.00 . A A . 34 TYR N 1 1 16 8652 1 1 35 TYR O O -16.886 -0.173 2.855 1.00 . A A . 34 TYR O 1 1 16 8653 1 1 35 TYR OH O -16.876 -5.176 -0.070 1.00 . A A . 34 TYR OH 1 1 16 8654 1 1 36 NH2 HN1 H -14.010 0.628 3.697 1.00 . A A . 35 NH2 HN1 1 1 16 8655 1 1 36 NH2 HN2 H -15.236 -0.110 4.668 1.00 . A A . 35 NH2 HN2 1 1 16 8656 1 1 36 NH2 N N -14.913 0.261 3.821 1.00 . A A . 35 NH2 N 1 1 17 8657 1 1 1 ACE C C -12.760 -0.916 -5.376 1.00 . A A . 0 ACE C 1 1 17 8658 1 1 1 ACE CH3 C -13.317 0.195 -4.532 1.00 . A A . 0 ACE CH3 1 1 17 8659 1 1 1 ACE H1 H -14.240 -0.151 -4.076 1.00 . A A . 0 ACE H1 1 1 17 8660 1 1 1 ACE H2 H -13.519 1.047 -5.151 1.00 . A A . 0 ACE H2 1 1 17 8661 1 1 1 ACE H3 H -12.584 0.461 -3.778 1.00 . A A . 0 ACE H3 1 1 17 8662 1 1 1 ACE O O -12.119 -0.676 -6.402 1.00 . A A . 0 ACE O 1 1 17 8663 1 1 2 PRO C C -10.827 -2.611 -3.804 1.00 . A A . 1 PRO C 1 1 17 8664 1 1 2 PRO CA C -12.350 -2.711 -3.744 1.00 . A A . 1 PRO CA 1 1 17 8665 1 1 2 PRO CB C -12.787 -4.178 -3.741 1.00 . A A . 1 PRO CB 1 1 17 8666 1 1 2 PRO CD C -13.860 -3.138 -5.612 1.00 . A A . 1 PRO CD 1 1 17 8667 1 1 2 PRO CG C -14.007 -4.233 -4.590 1.00 . A A . 1 PRO CG 1 1 17 8668 1 1 2 PRO HA H -12.713 -2.218 -2.854 1.00 . A A . 1 PRO HA 1 1 17 8669 1 1 2 PRO HB2 H -12.000 -4.795 -4.154 1.00 . A A . 1 PRO HB2 1 1 17 8670 1 1 2 PRO HB3 H -13.021 -4.492 -2.737 1.00 . A A . 1 PRO HB3 1 1 17 8671 1 1 2 PRO HD2 H -13.405 -3.518 -6.514 1.00 . A A . 1 PRO HD2 1 1 17 8672 1 1 2 PRO HD3 H -14.819 -2.689 -5.833 1.00 . A A . 1 PRO HD3 1 1 17 8673 1 1 2 PRO HG2 H -14.070 -5.200 -5.072 1.00 . A A . 1 PRO HG2 1 1 17 8674 1 1 2 PRO HG3 H -14.883 -4.057 -3.985 1.00 . A A . 1 PRO HG3 1 1 17 8675 1 1 2 PRO N N -12.975 -2.167 -4.953 1.00 . A A . 1 PRO N 1 1 17 8676 1 1 2 PRO O O -10.204 -3.126 -4.733 1.00 . A A . 1 PRO O 1 1 17 8677 1 1 3 PRO C C -7.984 -3.034 -2.627 1.00 . A A . 2 PRO C 1 1 17 8678 1 1 3 PRO CA C -8.756 -1.730 -2.809 1.00 . A A . 2 PRO CA 1 1 17 8679 1 1 3 PRO CB C -8.537 -0.814 -1.605 1.00 . A A . 2 PRO CB 1 1 17 8680 1 1 3 PRO CD C -10.862 -1.333 -1.646 1.00 . A A . 2 PRO CD 1 1 17 8681 1 1 3 PRO CG C -9.707 -1.056 -0.722 1.00 . A A . 2 PRO CG 1 1 17 8682 1 1 3 PRO HA H -8.421 -1.235 -3.708 1.00 . A A . 2 PRO HA 1 1 17 8683 1 1 3 PRO HB2 H -7.611 -1.077 -1.106 1.00 . A A . 2 PRO HB2 1 1 17 8684 1 1 3 PRO HB3 H -8.515 0.217 -1.921 1.00 . A A . 2 PRO HB3 1 1 17 8685 1 1 3 PRO HD2 H -11.555 -2.022 -1.188 1.00 . A A . 2 PRO HD2 1 1 17 8686 1 1 3 PRO HD3 H -11.362 -0.414 -1.915 1.00 . A A . 2 PRO HD3 1 1 17 8687 1 1 3 PRO HG2 H -9.510 -1.911 -0.087 1.00 . A A . 2 PRO HG2 1 1 17 8688 1 1 3 PRO HG3 H -9.908 -0.180 -0.125 1.00 . A A . 2 PRO HG3 1 1 17 8689 1 1 3 PRO N N -10.207 -1.937 -2.822 1.00 . A A . 2 PRO N 1 1 17 8690 1 1 3 PRO O O -8.309 -3.851 -1.764 1.00 . A A . 2 PRO O 1 1 17 8691 1 1 4 THR C C -4.838 -4.084 -2.644 1.00 . A A . 3 THR C 1 1 17 8692 1 1 4 THR CA C -6.138 -4.411 -3.367 1.00 . A A . 3 THR CA 1 1 17 8693 1 1 4 THR CB C -5.833 -4.955 -4.772 1.00 . A A . 3 THR CB 1 1 17 8694 1 1 4 THR CG2 C -5.139 -6.303 -4.696 1.00 . A A . 3 THR CG2 1 1 17 8695 1 1 4 THR H H -6.763 -2.549 -4.127 1.00 . A A . 3 THR H 1 1 17 8696 1 1 4 THR HA H -6.672 -5.168 -2.812 1.00 . A A . 3 THR HA 1 1 17 8697 1 1 4 THR HB H -5.184 -4.258 -5.279 1.00 . A A . 3 THR HB 1 1 17 8698 1 1 4 THR HG1 H -7.753 -5.406 -4.925 1.00 . A A . 3 THR HG1 1 1 17 8699 1 1 4 THR HG21 H -4.211 -6.199 -4.153 1.00 . A A . 3 THR HG21 1 1 17 8700 1 1 4 THR HG22 H -4.935 -6.658 -5.694 1.00 . A A . 3 THR HG22 1 1 17 8701 1 1 4 THR HG23 H -5.778 -7.007 -4.186 1.00 . A A . 3 THR HG23 1 1 17 8702 1 1 4 THR N N -6.969 -3.227 -3.448 1.00 . A A . 3 THR N 1 1 17 8703 1 1 4 THR O O -4.258 -3.015 -2.854 1.00 . A A . 3 THR O 1 1 17 8704 1 1 4 THR OG1 O -7.054 -5.090 -5.515 1.00 . A A . 3 THR OG1 1 1 17 8705 1 1 5 LYS C C -1.982 -4.618 -1.946 1.00 . A A . 4 LYS C 1 1 17 8706 1 1 5 LYS CA C -3.177 -4.785 -1.012 1.00 . A A . 4 LYS CA 1 1 17 8707 1 1 5 LYS CB C -2.936 -5.961 -0.064 1.00 . A A . 4 LYS CB 1 1 17 8708 1 1 5 LYS CD C -3.771 -7.347 1.864 1.00 . A A . 4 LYS CD 1 1 17 8709 1 1 5 LYS CE C -2.463 -7.273 2.638 1.00 . A A . 4 LYS CE 1 1 17 8710 1 1 5 LYS CG C -3.996 -6.104 1.016 1.00 . A A . 4 LYS CG 1 1 17 8711 1 1 5 LYS H H -4.901 -5.826 -1.665 1.00 . A A . 4 LYS H 1 1 17 8712 1 1 5 LYS HA H -3.301 -3.883 -0.434 1.00 . A A . 4 LYS HA 1 1 17 8713 1 1 5 LYS HB2 H -2.919 -6.876 -0.642 1.00 . A A . 4 LYS HB2 1 1 17 8714 1 1 5 LYS HB3 H -1.977 -5.829 0.417 1.00 . A A . 4 LYS HB3 1 1 17 8715 1 1 5 LYS HD2 H -4.586 -7.441 2.565 1.00 . A A . 4 LYS HD2 1 1 17 8716 1 1 5 LYS HD3 H -3.748 -8.212 1.217 1.00 . A A . 4 LYS HD3 1 1 17 8717 1 1 5 LYS HE2 H -1.661 -7.066 1.948 1.00 . A A . 4 LYS HE2 1 1 17 8718 1 1 5 LYS HE3 H -2.532 -6.472 3.360 1.00 . A A . 4 LYS HE3 1 1 17 8719 1 1 5 LYS HG2 H -3.963 -5.235 1.656 1.00 . A A . 4 LYS HG2 1 1 17 8720 1 1 5 LYS HG3 H -4.966 -6.170 0.547 1.00 . A A . 4 LYS HG3 1 1 17 8721 1 1 5 LYS HZ1 H -2.956 -8.796 3.977 1.00 . A A . 4 LYS HZ1 1 1 17 8722 1 1 5 LYS HZ2 H -1.307 -8.439 3.925 1.00 . A A . 4 LYS HZ2 1 1 17 8723 1 1 5 LYS HZ3 H -2.021 -9.312 2.669 1.00 . A A . 4 LYS HZ3 1 1 17 8724 1 1 5 LYS N N -4.397 -4.991 -1.780 1.00 . A A . 4 LYS N 1 1 17 8725 1 1 5 LYS NZ N -2.167 -8.542 3.352 1.00 . A A . 4 LYS NZ 1 1 17 8726 1 1 5 LYS O O -1.825 -5.388 -2.896 1.00 . A A . 4 LYS O 1 1 17 8727 1 1 6 PRO C C 0.941 -4.518 -2.727 1.00 . A A . 5 PRO C 1 1 17 8728 1 1 6 PRO CA C 0.028 -3.314 -2.536 1.00 . A A . 5 PRO CA 1 1 17 8729 1 1 6 PRO CB C 0.768 -2.201 -1.785 1.00 . A A . 5 PRO CB 1 1 17 8730 1 1 6 PRO CD C -1.248 -2.651 -0.577 1.00 . A A . 5 PRO CD 1 1 17 8731 1 1 6 PRO CG C 0.160 -2.147 -0.426 1.00 . A A . 5 PRO CG 1 1 17 8732 1 1 6 PRO HA H -0.274 -2.949 -3.506 1.00 . A A . 5 PRO HA 1 1 17 8733 1 1 6 PRO HB2 H 1.823 -2.442 -1.728 1.00 . A A . 5 PRO HB2 1 1 17 8734 1 1 6 PRO HB3 H 0.627 -1.258 -2.292 1.00 . A A . 5 PRO HB3 1 1 17 8735 1 1 6 PRO HD2 H -1.572 -3.150 0.329 1.00 . A A . 5 PRO HD2 1 1 17 8736 1 1 6 PRO HD3 H -1.919 -1.839 -0.827 1.00 . A A . 5 PRO HD3 1 1 17 8737 1 1 6 PRO HG2 H 0.721 -2.783 0.250 1.00 . A A . 5 PRO HG2 1 1 17 8738 1 1 6 PRO HG3 H 0.153 -1.128 -0.070 1.00 . A A . 5 PRO HG3 1 1 17 8739 1 1 6 PRO N N -1.136 -3.604 -1.694 1.00 . A A . 5 PRO N 1 1 17 8740 1 1 6 PRO O O 1.306 -5.206 -1.768 1.00 . A A . 5 PRO O 1 1 17 8741 1 1 7 THR C C 3.647 -5.436 -4.075 1.00 . A A . 6 THR C 1 1 17 8742 1 1 7 THR CA C 2.197 -5.848 -4.327 1.00 . A A . 6 THR CA 1 1 17 8743 1 1 7 THR CB C 2.011 -6.234 -5.805 1.00 . A A . 6 THR CB 1 1 17 8744 1 1 7 THR CG2 C 2.765 -7.509 -6.147 1.00 . A A . 6 THR CG2 1 1 17 8745 1 1 7 THR H H 0.940 -4.196 -4.694 1.00 . A A . 6 THR H 1 1 17 8746 1 1 7 THR HA H 1.957 -6.701 -3.716 1.00 . A A . 6 THR HA 1 1 17 8747 1 1 7 THR HB H 2.389 -5.432 -6.419 1.00 . A A . 6 THR HB 1 1 17 8748 1 1 7 THR HG1 H 0.095 -5.941 -5.421 1.00 . A A . 6 THR HG1 1 1 17 8749 1 1 7 THR HG21 H 2.622 -7.743 -7.191 1.00 . A A . 6 THR HG21 1 1 17 8750 1 1 7 THR HG22 H 2.392 -8.320 -5.541 1.00 . A A . 6 THR HG22 1 1 17 8751 1 1 7 THR HG23 H 3.817 -7.367 -5.951 1.00 . A A . 6 THR HG23 1 1 17 8752 1 1 7 THR N N 1.298 -4.765 -3.977 1.00 . A A . 6 THR N 1 1 17 8753 1 1 7 THR O O 4.543 -6.279 -3.979 1.00 . A A . 6 THR O 1 1 17 8754 1 1 7 THR OG1 O 0.617 -6.418 -6.080 1.00 . A A . 6 THR OG1 1 1 17 8755 1 1 8 LYS C C 5.777 -4.125 -2.421 1.00 . A A . 7 LYS C 1 1 17 8756 1 1 8 LYS CA C 5.186 -3.573 -3.720 1.00 . A A . 7 LYS CA 1 1 17 8757 1 1 8 LYS CB C 5.119 -2.038 -3.654 1.00 . A A . 7 LYS CB 1 1 17 8758 1 1 8 LYS CD C 4.291 0.115 -4.667 1.00 . A A . 7 LYS CD 1 1 17 8759 1 1 8 LYS CE C 3.275 0.743 -5.614 1.00 . A A . 7 LYS CE 1 1 17 8760 1 1 8 LYS CG C 4.304 -1.406 -4.774 1.00 . A A . 7 LYS CG 1 1 17 8761 1 1 8 LYS H H 3.095 -3.522 -4.029 1.00 . A A . 7 LYS H 1 1 17 8762 1 1 8 LYS HA H 5.818 -3.864 -4.543 1.00 . A A . 7 LYS HA 1 1 17 8763 1 1 8 LYS HB2 H 4.676 -1.753 -2.715 1.00 . A A . 7 LYS HB2 1 1 17 8764 1 1 8 LYS HB3 H 6.123 -1.642 -3.700 1.00 . A A . 7 LYS HB3 1 1 17 8765 1 1 8 LYS HD2 H 4.039 0.392 -3.654 1.00 . A A . 7 LYS HD2 1 1 17 8766 1 1 8 LYS HD3 H 5.275 0.491 -4.909 1.00 . A A . 7 LYS HD3 1 1 17 8767 1 1 8 LYS HE2 H 2.287 0.408 -5.335 1.00 . A A . 7 LYS HE2 1 1 17 8768 1 1 8 LYS HE3 H 3.328 1.818 -5.514 1.00 . A A . 7 LYS HE3 1 1 17 8769 1 1 8 LYS HG2 H 4.731 -1.689 -5.727 1.00 . A A . 7 LYS HG2 1 1 17 8770 1 1 8 LYS HG3 H 3.288 -1.771 -4.710 1.00 . A A . 7 LYS HG3 1 1 17 8771 1 1 8 LYS HZ1 H 4.460 0.712 -7.336 1.00 . A A . 7 LYS HZ1 1 1 17 8772 1 1 8 LYS HZ2 H 2.803 0.820 -7.646 1.00 . A A . 7 LYS HZ2 1 1 17 8773 1 1 8 LYS HZ3 H 3.476 -0.653 -7.158 1.00 . A A . 7 LYS HZ3 1 1 17 8774 1 1 8 LYS N N 3.858 -4.129 -3.955 1.00 . A A . 7 LYS N 1 1 17 8775 1 1 8 LYS NZ N 3.520 0.380 -7.036 1.00 . A A . 7 LYS NZ 1 1 17 8776 1 1 8 LYS O O 5.046 -4.414 -1.473 1.00 . A A . 7 LYS O 1 1 17 8777 1 1 9 PRO C C 7.730 -3.835 -0.013 1.00 . A A . 8 PRO C 1 1 17 8778 1 1 9 PRO CA C 7.789 -4.812 -1.181 1.00 . A A . 8 PRO CA 1 1 17 8779 1 1 9 PRO CB C 9.234 -4.993 -1.648 1.00 . A A . 8 PRO CB 1 1 17 8780 1 1 9 PRO CD C 8.039 -4.018 -3.471 1.00 . A A . 8 PRO CD 1 1 17 8781 1 1 9 PRO CG C 9.387 -4.078 -2.806 1.00 . A A . 8 PRO CG 1 1 17 8782 1 1 9 PRO HA H 7.387 -5.764 -0.873 1.00 . A A . 8 PRO HA 1 1 17 8783 1 1 9 PRO HB2 H 9.912 -4.724 -0.848 1.00 . A A . 8 PRO HB2 1 1 17 8784 1 1 9 PRO HB3 H 9.399 -6.012 -1.955 1.00 . A A . 8 PRO HB3 1 1 17 8785 1 1 9 PRO HD2 H 7.859 -3.033 -3.882 1.00 . A A . 8 PRO HD2 1 1 17 8786 1 1 9 PRO HD3 H 7.961 -4.771 -4.243 1.00 . A A . 8 PRO HD3 1 1 17 8787 1 1 9 PRO HG2 H 9.681 -3.097 -2.454 1.00 . A A . 8 PRO HG2 1 1 17 8788 1 1 9 PRO HG3 H 10.123 -4.469 -3.492 1.00 . A A . 8 PRO HG3 1 1 17 8789 1 1 9 PRO N N 7.104 -4.300 -2.371 1.00 . A A . 8 PRO N 1 1 17 8790 1 1 9 PRO O O 7.834 -2.623 -0.198 1.00 . A A . 8 PRO O 1 1 17 8791 1 1 10 GLY C C 8.082 -4.186 3.580 1.00 . A A . 9 GLY C 1 1 17 8792 1 1 10 GLY CA C 7.466 -3.539 2.361 1.00 . A A . 9 GLY CA 1 1 17 8793 1 1 10 GLY H H 7.536 -5.346 1.270 1.00 . A A . 9 GLY H 1 1 17 8794 1 1 10 GLY HA2 H 7.967 -2.603 2.171 1.00 . A A . 9 GLY HA2 1 1 17 8795 1 1 10 GLY HA3 H 6.424 -3.345 2.558 1.00 . A A . 9 GLY HA3 1 1 17 8796 1 1 10 GLY N N 7.574 -4.372 1.185 1.00 . A A . 9 GLY N 1 1 17 8797 1 1 10 GLY O O 7.638 -3.958 4.705 1.00 . A A . 9 GLY O 1 1 17 8798 1 1 11 ASP C C 11.234 -5.348 4.525 1.00 . A A . 10 ASP C 1 1 17 8799 1 1 11 ASP CA C 9.757 -5.704 4.450 1.00 . A A . 10 ASP CA 1 1 17 8800 1 1 11 ASP CB C 9.592 -7.220 4.299 1.00 . A A . 10 ASP CB 1 1 17 8801 1 1 11 ASP CG C 8.157 -7.674 4.467 1.00 . A A . 10 ASP CG 1 1 17 8802 1 1 11 ASP H H 9.424 -5.122 2.441 1.00 . A A . 10 ASP H 1 1 17 8803 1 1 11 ASP HA H 9.286 -5.395 5.367 1.00 . A A . 10 ASP HA 1 1 17 8804 1 1 11 ASP HB2 H 9.928 -7.515 3.317 1.00 . A A . 10 ASP HB2 1 1 17 8805 1 1 11 ASP HB3 H 10.197 -7.716 5.044 1.00 . A A . 10 ASP HB3 1 1 17 8806 1 1 11 ASP N N 9.102 -4.998 3.358 1.00 . A A . 10 ASP N 1 1 17 8807 1 1 11 ASP O O 11.642 -4.522 5.339 1.00 . A A . 10 ASP O 1 1 17 8808 1 1 11 ASP OD1 O 7.722 -7.872 5.619 1.00 . A A . 10 ASP OD1 1 1 17 8809 1 1 11 ASP OD2 O 7.455 -7.842 3.448 1.00 . A A . 10 ASP OD2 1 1 17 8810 1 1 12 ASN C C 13.921 -4.822 2.562 1.00 . A A . 11 ASN C 1 1 17 8811 1 1 12 ASN CA C 13.473 -5.766 3.672 1.00 . A A . 11 ASN CA 1 1 17 8812 1 1 12 ASN CB C 14.193 -7.116 3.545 1.00 . A A . 11 ASN CB 1 1 17 8813 1 1 12 ASN CG C 13.908 -7.830 2.232 1.00 . A A . 11 ASN CG 1 1 17 8814 1 1 12 ASN H H 11.628 -6.540 2.974 1.00 . A A . 11 ASN H 1 1 17 8815 1 1 12 ASN HA H 13.730 -5.323 4.621 1.00 . A A . 11 ASN HA 1 1 17 8816 1 1 12 ASN HB2 H 15.258 -6.952 3.612 1.00 . A A . 11 ASN HB2 1 1 17 8817 1 1 12 ASN HB3 H 13.883 -7.757 4.356 1.00 . A A . 11 ASN HB3 1 1 17 8818 1 1 12 ASN HD21 H 12.360 -8.779 3.043 1.00 . A A . 11 ASN HD21 1 1 17 8819 1 1 12 ASN HD22 H 12.679 -9.144 1.385 1.00 . A A . 11 ASN HD22 1 1 17 8820 1 1 12 ASN N N 12.026 -5.953 3.653 1.00 . A A . 11 ASN N 1 1 17 8821 1 1 12 ASN ND2 N 12.878 -8.665 2.219 1.00 . A A . 11 ASN ND2 1 1 17 8822 1 1 12 ASN O O 15.112 -4.690 2.285 1.00 . A A . 11 ASN O 1 1 17 8823 1 1 12 ASN OD1 O 14.614 -7.641 1.242 1.00 . A A . 11 ASN OD1 1 1 17 8824 1 1 13 ALA C C 13.952 -1.971 1.416 1.00 . A A . 12 ALA C 1 1 17 8825 1 1 13 ALA CA C 13.244 -3.210 0.874 1.00 . A A . 12 ALA CA 1 1 17 8826 1 1 13 ALA CB C 11.958 -2.822 0.165 1.00 . A A . 12 ALA CB 1 1 17 8827 1 1 13 ALA H H 12.031 -4.317 2.200 1.00 . A A . 12 ALA H 1 1 17 8828 1 1 13 ALA HA H 13.888 -3.693 0.157 1.00 . A A . 12 ALA HA 1 1 17 8829 1 1 13 ALA HB1 H 12.192 -2.215 -0.697 1.00 . A A . 12 ALA HB1 1 1 17 8830 1 1 13 ALA HB2 H 11.328 -2.262 0.841 1.00 . A A . 12 ALA HB2 1 1 17 8831 1 1 13 ALA HB3 H 11.440 -3.715 -0.151 1.00 . A A . 12 ALA HB3 1 1 17 8832 1 1 13 ALA N N 12.960 -4.161 1.938 1.00 . A A . 12 ALA N 1 1 17 8833 1 1 13 ALA O O 13.981 -1.737 2.625 1.00 . A A . 12 ALA O 1 1 17 8834 1 1 14 THR C C 14.237 1.088 1.366 1.00 . A A . 13 THR C 1 1 17 8835 1 1 14 THR CA C 15.222 0.031 0.883 1.00 . A A . 13 THR CA 1 1 17 8836 1 1 14 THR CB C 16.010 0.579 -0.314 1.00 . A A . 13 THR CB 1 1 17 8837 1 1 14 THR CG2 C 17.192 -0.320 -0.628 1.00 . A A . 13 THR CG2 1 1 17 8838 1 1 14 THR H H 14.491 -1.447 -0.429 1.00 . A A . 13 THR H 1 1 17 8839 1 1 14 THR HA H 15.918 -0.193 1.676 1.00 . A A . 13 THR HA 1 1 17 8840 1 1 14 THR HB H 16.378 1.560 -0.063 1.00 . A A . 13 THR HB 1 1 17 8841 1 1 14 THR HG1 H 15.594 0.305 -2.229 1.00 . A A . 13 THR HG1 1 1 17 8842 1 1 14 THR HG21 H 16.834 -1.316 -0.841 1.00 . A A . 13 THR HG21 1 1 17 8843 1 1 14 THR HG22 H 17.855 -0.347 0.222 1.00 . A A . 13 THR HG22 1 1 17 8844 1 1 14 THR HG23 H 17.719 0.067 -1.488 1.00 . A A . 13 THR HG23 1 1 17 8845 1 1 14 THR N N 14.530 -1.193 0.515 1.00 . A A . 13 THR N 1 1 17 8846 1 1 14 THR O O 13.069 1.067 0.982 1.00 . A A . 13 THR O 1 1 17 8847 1 1 14 THR OG1 O 15.149 0.677 -1.457 1.00 . A A . 13 THR OG1 1 1 17 8848 1 1 15 PRO C C 13.190 3.910 1.635 1.00 . A A . 14 PRO C 1 1 17 8849 1 1 15 PRO CA C 13.846 3.096 2.745 1.00 . A A . 14 PRO CA 1 1 17 8850 1 1 15 PRO CB C 14.820 3.967 3.554 1.00 . A A . 14 PRO CB 1 1 17 8851 1 1 15 PRO CD C 16.070 2.118 2.720 1.00 . A A . 14 PRO CD 1 1 17 8852 1 1 15 PRO CG C 16.179 3.563 3.119 1.00 . A A . 14 PRO CG 1 1 17 8853 1 1 15 PRO HA H 13.083 2.704 3.397 1.00 . A A . 14 PRO HA 1 1 17 8854 1 1 15 PRO HB2 H 14.643 5.012 3.337 1.00 . A A . 14 PRO HB2 1 1 17 8855 1 1 15 PRO HB3 H 14.701 3.778 4.606 1.00 . A A . 14 PRO HB3 1 1 17 8856 1 1 15 PRO HD2 H 16.784 1.882 1.948 1.00 . A A . 14 PRO HD2 1 1 17 8857 1 1 15 PRO HD3 H 16.207 1.472 3.575 1.00 . A A . 14 PRO HD3 1 1 17 8858 1 1 15 PRO HG2 H 16.486 4.176 2.277 1.00 . A A . 14 PRO HG2 1 1 17 8859 1 1 15 PRO HG3 H 16.873 3.667 3.940 1.00 . A A . 14 PRO HG3 1 1 17 8860 1 1 15 PRO N N 14.694 2.025 2.212 1.00 . A A . 14 PRO N 1 1 17 8861 1 1 15 PRO O O 12.056 4.376 1.779 1.00 . A A . 14 PRO O 1 1 17 8862 1 1 16 GLU C C 12.226 4.029 -1.251 1.00 . A A . 15 GLU C 1 1 17 8863 1 1 16 GLU CA C 13.396 4.787 -0.625 1.00 . A A . 15 GLU CA 1 1 17 8864 1 1 16 GLU CB C 14.511 4.988 -1.657 1.00 . A A . 15 GLU CB 1 1 17 8865 1 1 16 GLU CD C 15.161 5.880 -3.934 1.00 . A A . 15 GLU CD 1 1 17 8866 1 1 16 GLU CG C 14.061 5.739 -2.902 1.00 . A A . 15 GLU CG 1 1 17 8867 1 1 16 GLU H H 14.810 3.682 0.488 1.00 . A A . 15 GLU H 1 1 17 8868 1 1 16 GLU HA H 13.051 5.751 -0.288 1.00 . A A . 15 GLU HA 1 1 17 8869 1 1 16 GLU HB2 H 15.315 5.544 -1.194 1.00 . A A . 15 GLU HB2 1 1 17 8870 1 1 16 GLU HB3 H 14.885 4.020 -1.958 1.00 . A A . 15 GLU HB3 1 1 17 8871 1 1 16 GLU HG2 H 13.234 5.209 -3.352 1.00 . A A . 15 GLU HG2 1 1 17 8872 1 1 16 GLU HG3 H 13.735 6.726 -2.610 1.00 . A A . 15 GLU HG3 1 1 17 8873 1 1 16 GLU N N 13.909 4.070 0.530 1.00 . A A . 15 GLU N 1 1 17 8874 1 1 16 GLU O O 11.185 4.610 -1.567 1.00 . A A . 15 GLU O 1 1 17 8875 1 1 16 GLU OE1 O 15.315 4.968 -4.773 1.00 . A A . 15 GLU OE1 1 1 17 8876 1 1 16 GLU OE2 O 15.883 6.901 -3.907 1.00 . A A . 15 GLU OE2 1 1 17 8877 1 1 17 LYS C C 10.235 1.642 -1.078 1.00 . A A . 16 LYS C 1 1 17 8878 1 1 17 LYS CA C 11.399 1.882 -2.036 1.00 . A A . 16 LYS CA 1 1 17 8879 1 1 17 LYS CB C 12.036 0.556 -2.468 1.00 . A A . 16 LYS CB 1 1 17 8880 1 1 17 LYS CD C 11.945 -1.493 -3.915 1.00 . A A . 16 LYS CD 1 1 17 8881 1 1 17 LYS CE C 11.187 -2.240 -5.004 1.00 . A A . 16 LYS CE 1 1 17 8882 1 1 17 LYS CG C 11.204 -0.243 -3.461 1.00 . A A . 16 LYS CG 1 1 17 8883 1 1 17 LYS H H 13.230 2.312 -1.077 1.00 . A A . 16 LYS H 1 1 17 8884 1 1 17 LYS HA H 11.032 2.400 -2.907 1.00 . A A . 16 LYS HA 1 1 17 8885 1 1 17 LYS HB2 H 12.995 0.761 -2.924 1.00 . A A . 16 LYS HB2 1 1 17 8886 1 1 17 LYS HB3 H 12.190 -0.053 -1.589 1.00 . A A . 16 LYS HB3 1 1 17 8887 1 1 17 LYS HD2 H 12.912 -1.204 -4.299 1.00 . A A . 16 LYS HD2 1 1 17 8888 1 1 17 LYS HD3 H 12.075 -2.148 -3.066 1.00 . A A . 16 LYS HD3 1 1 17 8889 1 1 17 LYS HE2 H 11.711 -3.158 -5.221 1.00 . A A . 16 LYS HE2 1 1 17 8890 1 1 17 LYS HE3 H 10.198 -2.472 -4.638 1.00 . A A . 16 LYS HE3 1 1 17 8891 1 1 17 LYS HG2 H 10.278 -0.536 -2.988 1.00 . A A . 16 LYS HG2 1 1 17 8892 1 1 17 LYS HG3 H 10.995 0.376 -4.320 1.00 . A A . 16 LYS HG3 1 1 17 8893 1 1 17 LYS HZ1 H 10.567 -0.554 -6.072 1.00 . A A . 16 LYS HZ1 1 1 17 8894 1 1 17 LYS HZ2 H 10.530 -1.987 -6.967 1.00 . A A . 16 LYS HZ2 1 1 17 8895 1 1 17 LYS HZ3 H 12.008 -1.237 -6.640 1.00 . A A . 16 LYS HZ3 1 1 17 8896 1 1 17 LYS N N 12.402 2.724 -1.404 1.00 . A A . 16 LYS N 1 1 17 8897 1 1 17 LYS NZ N 11.065 -1.448 -6.256 1.00 . A A . 16 LYS NZ 1 1 17 8898 1 1 17 LYS O O 9.078 1.568 -1.494 1.00 . A A . 16 LYS O 1 1 17 8899 1 1 18 LEU C C 8.600 2.590 1.272 1.00 . A A . 17 LEU C 1 1 17 8900 1 1 18 LEU CA C 9.536 1.394 1.248 1.00 . A A . 17 LEU CA 1 1 17 8901 1 1 18 LEU CB C 10.184 1.228 2.624 1.00 . A A . 17 LEU CB 1 1 17 8902 1 1 18 LEU CD1 C 11.484 -0.149 4.260 1.00 . A A . 17 LEU CD1 1 1 17 8903 1 1 18 LEU CD2 C 9.968 -1.262 2.617 1.00 . A A . 17 LEU CD2 1 1 17 8904 1 1 18 LEU CG C 10.909 -0.096 2.855 1.00 . A A . 17 LEU CG 1 1 17 8905 1 1 18 LEU H H 11.499 1.554 0.474 1.00 . A A . 17 LEU H 1 1 17 8906 1 1 18 LEU HA H 8.964 0.510 1.021 1.00 . A A . 17 LEU HA 1 1 17 8907 1 1 18 LEU HB2 H 10.896 2.025 2.755 1.00 . A A . 17 LEU HB2 1 1 17 8908 1 1 18 LEU HB3 H 9.416 1.329 3.373 1.00 . A A . 17 LEU HB3 1 1 17 8909 1 1 18 LEU HD11 H 12.155 0.683 4.404 1.00 . A A . 17 LEU HD11 1 1 17 8910 1 1 18 LEU HD12 H 12.025 -1.074 4.392 1.00 . A A . 17 LEU HD12 1 1 17 8911 1 1 18 LEU HD13 H 10.682 -0.095 4.980 1.00 . A A . 17 LEU HD13 1 1 17 8912 1 1 18 LEU HD21 H 9.697 -1.298 1.572 1.00 . A A . 17 LEU HD21 1 1 17 8913 1 1 18 LEU HD22 H 9.076 -1.133 3.214 1.00 . A A . 17 LEU HD22 1 1 17 8914 1 1 18 LEU HD23 H 10.456 -2.182 2.895 1.00 . A A . 17 LEU HD23 1 1 17 8915 1 1 18 LEU HG H 11.728 -0.177 2.156 1.00 . A A . 17 LEU HG 1 1 17 8916 1 1 18 LEU N N 10.551 1.544 0.212 1.00 . A A . 17 LEU N 1 1 17 8917 1 1 18 LEU O O 7.410 2.449 1.540 1.00 . A A . 17 LEU O 1 1 17 8918 1 1 19 ALA C C 7.282 4.890 -0.144 1.00 . A A . 18 ALA C 1 1 17 8919 1 1 19 ALA CA C 8.343 4.982 0.944 1.00 . A A . 18 ALA CA 1 1 17 8920 1 1 19 ALA CB C 9.233 6.189 0.717 1.00 . A A . 18 ALA CB 1 1 17 8921 1 1 19 ALA H H 10.102 3.823 0.811 1.00 . A A . 18 ALA H 1 1 17 8922 1 1 19 ALA HA H 7.859 5.094 1.901 1.00 . A A . 18 ALA HA 1 1 17 8923 1 1 19 ALA HB1 H 9.692 6.116 -0.257 1.00 . A A . 18 ALA HB1 1 1 17 8924 1 1 19 ALA HB2 H 10.001 6.216 1.476 1.00 . A A . 18 ALA HB2 1 1 17 8925 1 1 19 ALA HB3 H 8.640 7.089 0.771 1.00 . A A . 18 ALA HB3 1 1 17 8926 1 1 19 ALA N N 9.140 3.768 0.988 1.00 . A A . 18 ALA N 1 1 17 8927 1 1 19 ALA O O 6.174 5.406 0.005 1.00 . A A . 18 ALA O 1 1 17 8928 1 1 20 LYS C C 5.619 3.015 -1.905 1.00 . A A . 19 LYS C 1 1 17 8929 1 1 20 LYS CA C 6.693 4.011 -2.330 1.00 . A A . 19 LYS CA 1 1 17 8930 1 1 20 LYS CB C 7.433 3.505 -3.568 1.00 . A A . 19 LYS CB 1 1 17 8931 1 1 20 LYS CD C 7.345 2.924 -6.018 1.00 . A A . 19 LYS CD 1 1 17 8932 1 1 20 LYS CE C 8.519 3.827 -6.370 1.00 . A A . 19 LYS CE 1 1 17 8933 1 1 20 LYS CG C 6.566 3.440 -4.817 1.00 . A A . 19 LYS CG 1 1 17 8934 1 1 20 LYS H H 8.539 3.869 -1.309 1.00 . A A . 19 LYS H 1 1 17 8935 1 1 20 LYS HA H 6.223 4.955 -2.556 1.00 . A A . 19 LYS HA 1 1 17 8936 1 1 20 LYS HB2 H 8.264 4.162 -3.766 1.00 . A A . 19 LYS HB2 1 1 17 8937 1 1 20 LYS HB3 H 7.811 2.513 -3.367 1.00 . A A . 19 LYS HB3 1 1 17 8938 1 1 20 LYS HD2 H 7.720 1.937 -5.791 1.00 . A A . 19 LYS HD2 1 1 17 8939 1 1 20 LYS HD3 H 6.679 2.868 -6.867 1.00 . A A . 19 LYS HD3 1 1 17 8940 1 1 20 LYS HE2 H 9.195 3.862 -5.529 1.00 . A A . 19 LYS HE2 1 1 17 8941 1 1 20 LYS HE3 H 9.032 3.408 -7.223 1.00 . A A . 19 LYS HE3 1 1 17 8942 1 1 20 LYS HG2 H 5.733 2.781 -4.631 1.00 . A A . 19 LYS HG2 1 1 17 8943 1 1 20 LYS HG3 H 6.200 4.433 -5.038 1.00 . A A . 19 LYS HG3 1 1 17 8944 1 1 20 LYS HZ1 H 7.424 5.200 -7.500 1.00 . A A . 19 LYS HZ1 1 1 17 8945 1 1 20 LYS HZ2 H 8.908 5.791 -6.953 1.00 . A A . 19 LYS HZ2 1 1 17 8946 1 1 20 LYS HZ3 H 7.613 5.646 -5.880 1.00 . A A . 19 LYS HZ3 1 1 17 8947 1 1 20 LYS N N 7.629 4.226 -1.237 1.00 . A A . 19 LYS N 1 1 17 8948 1 1 20 LYS NZ N 8.086 5.211 -6.697 1.00 . A A . 19 LYS NZ 1 1 17 8949 1 1 20 LYS O O 4.446 3.157 -2.255 1.00 . A A . 19 LYS O 1 1 17 8950 1 1 21 TYR C C 4.140 1.734 0.377 1.00 . A A . 20 TYR C 1 1 17 8951 1 1 21 TYR CA C 5.104 1.044 -0.576 1.00 . A A . 20 TYR CA 1 1 17 8952 1 1 21 TYR CB C 5.867 -0.065 0.157 1.00 . A A . 20 TYR CB 1 1 17 8953 1 1 21 TYR CD1 C 4.214 -1.983 0.211 1.00 . A A . 20 TYR CD1 1 1 17 8954 1 1 21 TYR CD2 C 4.895 -1.019 2.281 1.00 . A A . 20 TYR CD2 1 1 17 8955 1 1 21 TYR CE1 C 3.405 -2.876 0.888 1.00 . A A . 20 TYR CE1 1 1 17 8956 1 1 21 TYR CE2 C 4.088 -1.908 2.964 1.00 . A A . 20 TYR CE2 1 1 17 8957 1 1 21 TYR CG C 4.973 -1.039 0.896 1.00 . A A . 20 TYR CG 1 1 17 8958 1 1 21 TYR CZ C 3.316 -2.822 2.244 1.00 . A A . 20 TYR CZ 1 1 17 8959 1 1 21 TYR H H 6.992 1.915 -0.956 1.00 . A A . 20 TYR H 1 1 17 8960 1 1 21 TYR HA H 4.538 0.610 -1.387 1.00 . A A . 20 TYR HA 1 1 17 8961 1 1 21 TYR HB2 H 6.445 -0.626 -0.561 1.00 . A A . 20 TYR HB2 1 1 17 8962 1 1 21 TYR HB3 H 6.536 0.386 0.878 1.00 . A A . 20 TYR HB3 1 1 17 8963 1 1 21 TYR HD1 H 4.261 -2.012 -0.867 1.00 . A A . 20 TYR HD1 1 1 17 8964 1 1 21 TYR HD2 H 5.474 -0.292 2.827 1.00 . A A . 20 TYR HD2 1 1 17 8965 1 1 21 TYR HE1 H 2.822 -3.601 0.339 1.00 . A A . 20 TYR HE1 1 1 17 8966 1 1 21 TYR HE2 H 4.044 -1.875 4.041 1.00 . A A . 20 TYR HE2 1 1 17 8967 1 1 21 TYR HH H 1.999 -3.227 3.582 1.00 . A A . 20 TYR HH 1 1 17 8968 1 1 21 TYR N N 6.032 2.011 -1.141 1.00 . A A . 20 TYR N 1 1 17 8969 1 1 21 TYR O O 2.931 1.529 0.308 1.00 . A A . 20 TYR O 1 1 17 8970 1 1 21 TYR OH O 2.539 -3.717 2.948 1.00 . A A . 20 TYR OH 1 1 17 8971 1 1 22 GLN C C 2.932 4.253 1.553 1.00 . A A . 21 GLN C 1 1 17 8972 1 1 22 GLN CA C 3.894 3.292 2.234 1.00 . A A . 21 GLN CA 1 1 17 8973 1 1 22 GLN CB C 4.802 4.049 3.201 1.00 . A A . 21 GLN CB 1 1 17 8974 1 1 22 GLN CD C 6.596 3.892 4.978 1.00 . A A . 21 GLN CD 1 1 17 8975 1 1 22 GLN CG C 5.662 3.133 4.058 1.00 . A A . 21 GLN CG 1 1 17 8976 1 1 22 GLN H H 5.666 2.692 1.245 1.00 . A A . 21 GLN H 1 1 17 8977 1 1 22 GLN HA H 3.318 2.569 2.790 1.00 . A A . 21 GLN HA 1 1 17 8978 1 1 22 GLN HB2 H 5.454 4.695 2.633 1.00 . A A . 21 GLN HB2 1 1 17 8979 1 1 22 GLN HB3 H 4.191 4.651 3.855 1.00 . A A . 21 GLN HB3 1 1 17 8980 1 1 22 GLN HE21 H 7.904 2.396 4.924 1.00 . A A . 21 GLN HE21 1 1 17 8981 1 1 22 GLN HE22 H 8.356 3.759 5.890 1.00 . A A . 21 GLN HE22 1 1 17 8982 1 1 22 GLN HG2 H 5.015 2.513 4.660 1.00 . A A . 21 GLN HG2 1 1 17 8983 1 1 22 GLN HG3 H 6.253 2.507 3.406 1.00 . A A . 21 GLN HG3 1 1 17 8984 1 1 22 GLN N N 4.689 2.565 1.255 1.00 . A A . 21 GLN N 1 1 17 8985 1 1 22 GLN NE2 N 7.733 3.290 5.296 1.00 . A A . 21 GLN NE2 1 1 17 8986 1 1 22 GLN O O 1.832 4.487 2.043 1.00 . A A . 21 GLN O 1 1 17 8987 1 1 22 GLN OE1 O 6.296 5.005 5.412 1.00 . A A . 21 GLN OE1 1 1 17 8988 1 1 23 ALA C C 1.279 4.961 -0.892 1.00 . A A . 22 ALA C 1 1 17 8989 1 1 23 ALA CA C 2.501 5.694 -0.351 1.00 . A A . 22 ALA CA 1 1 17 8990 1 1 23 ALA CB C 3.297 6.315 -1.487 1.00 . A A . 22 ALA CB 1 1 17 8991 1 1 23 ALA H H 4.248 4.592 0.091 1.00 . A A . 22 ALA H 1 1 17 8992 1 1 23 ALA HA H 2.174 6.485 0.305 1.00 . A A . 22 ALA HA 1 1 17 8993 1 1 23 ALA HB1 H 4.160 6.824 -1.085 1.00 . A A . 22 ALA HB1 1 1 17 8994 1 1 23 ALA HB2 H 2.677 7.021 -2.020 1.00 . A A . 22 ALA HB2 1 1 17 8995 1 1 23 ALA HB3 H 3.622 5.538 -2.164 1.00 . A A . 22 ALA HB3 1 1 17 8996 1 1 23 ALA N N 3.345 4.795 0.418 1.00 . A A . 22 ALA N 1 1 17 8997 1 1 23 ALA O O 0.163 5.485 -0.869 1.00 . A A . 22 ALA O 1 1 17 8998 1 1 24 ASP C C -0.425 2.359 -0.744 1.00 . A A . 23 ASP C 1 1 17 8999 1 1 24 ASP CA C 0.400 2.927 -1.891 1.00 . A A . 23 ASP CA 1 1 17 9000 1 1 24 ASP CB C 0.938 1.789 -2.767 1.00 . A A . 23 ASP CB 1 1 17 9001 1 1 24 ASP CG C -0.150 1.129 -3.597 1.00 . A A . 23 ASP CG 1 1 17 9002 1 1 24 ASP H H 2.405 3.374 -1.356 1.00 . A A . 23 ASP H 1 1 17 9003 1 1 24 ASP HA H -0.229 3.569 -2.489 1.00 . A A . 23 ASP HA 1 1 17 9004 1 1 24 ASP HB2 H 1.686 2.183 -3.441 1.00 . A A . 23 ASP HB2 1 1 17 9005 1 1 24 ASP HB3 H 1.390 1.037 -2.132 1.00 . A A . 23 ASP HB3 1 1 17 9006 1 1 24 ASP N N 1.493 3.738 -1.363 1.00 . A A . 23 ASP N 1 1 17 9007 1 1 24 ASP O O -1.647 2.265 -0.828 1.00 . A A . 23 ASP O 1 1 17 9008 1 1 24 ASP OD1 O -0.855 0.247 -3.059 1.00 . A A . 23 ASP OD1 1 1 17 9009 1 1 24 ASP OD2 O -0.319 1.488 -4.780 1.00 . A A . 23 ASP OD2 1 1 17 9010 1 1 25 LEU C C -1.291 2.564 2.131 1.00 . A A . 24 LEU C 1 1 17 9011 1 1 25 LEU CA C -0.381 1.493 1.539 1.00 . A A . 24 LEU CA 1 1 17 9012 1 1 25 LEU CB C 0.699 1.056 2.546 1.00 . A A . 24 LEU CB 1 1 17 9013 1 1 25 LEU CD1 C -0.428 1.036 4.800 1.00 . A A . 24 LEU CD1 1 1 17 9014 1 1 25 LEU CD2 C -0.698 -0.907 3.255 1.00 . A A . 24 LEU CD2 1 1 17 9015 1 1 25 LEU CG C 0.240 0.191 3.728 1.00 . A A . 24 LEU CG 1 1 17 9016 1 1 25 LEU H H 1.242 2.080 0.320 1.00 . A A . 24 LEU H 1 1 17 9017 1 1 25 LEU HA H -0.979 0.639 1.263 1.00 . A A . 24 LEU HA 1 1 17 9018 1 1 25 LEU HB2 H 1.458 0.506 2.007 1.00 . A A . 24 LEU HB2 1 1 17 9019 1 1 25 LEU HB3 H 1.154 1.948 2.947 1.00 . A A . 24 LEU HB3 1 1 17 9020 1 1 25 LEU HD11 H -0.749 0.400 5.612 1.00 . A A . 24 LEU HD11 1 1 17 9021 1 1 25 LEU HD12 H -1.284 1.540 4.377 1.00 . A A . 24 LEU HD12 1 1 17 9022 1 1 25 LEU HD13 H 0.274 1.768 5.169 1.00 . A A . 24 LEU HD13 1 1 17 9023 1 1 25 LEU HD21 H -0.215 -1.485 2.482 1.00 . A A . 24 LEU HD21 1 1 17 9024 1 1 25 LEU HD22 H -1.601 -0.465 2.864 1.00 . A A . 24 LEU HD22 1 1 17 9025 1 1 25 LEU HD23 H -0.944 -1.552 4.085 1.00 . A A . 24 LEU HD23 1 1 17 9026 1 1 25 LEU HG H 1.105 -0.280 4.173 1.00 . A A . 24 LEU HG 1 1 17 9027 1 1 25 LEU N N 0.262 2.003 0.335 1.00 . A A . 24 LEU N 1 1 17 9028 1 1 25 LEU O O -2.409 2.276 2.557 1.00 . A A . 24 LEU O 1 1 17 9029 1 1 26 ALA C C -2.854 5.093 1.763 1.00 . A A . 25 ALA C 1 1 17 9030 1 1 26 ALA CA C -1.602 4.928 2.610 1.00 . A A . 25 ALA CA 1 1 17 9031 1 1 26 ALA CB C -0.771 6.197 2.580 1.00 . A A . 25 ALA CB 1 1 17 9032 1 1 26 ALA H H 0.107 3.962 1.827 1.00 . A A . 25 ALA H 1 1 17 9033 1 1 26 ALA HA H -1.887 4.733 3.631 1.00 . A A . 25 ALA HA 1 1 17 9034 1 1 26 ALA HB1 H 0.120 6.058 3.174 1.00 . A A . 25 ALA HB1 1 1 17 9035 1 1 26 ALA HB2 H -1.350 7.014 2.983 1.00 . A A . 25 ALA HB2 1 1 17 9036 1 1 26 ALA HB3 H -0.493 6.419 1.560 1.00 . A A . 25 ALA HB3 1 1 17 9037 1 1 26 ALA N N -0.812 3.801 2.138 1.00 . A A . 25 ALA N 1 1 17 9038 1 1 26 ALA O O -3.947 5.322 2.285 1.00 . A A . 25 ALA O 1 1 17 9039 1 1 27 LYS C C -4.759 3.852 -0.217 1.00 . A A . 26 LYS C 1 1 17 9040 1 1 27 LYS CA C -3.815 5.022 -0.466 1.00 . A A . 26 LYS CA 1 1 17 9041 1 1 27 LYS CB C -3.337 4.998 -1.916 1.00 . A A . 26 LYS CB 1 1 17 9042 1 1 27 LYS CD C -3.988 5.083 -4.345 1.00 . A A . 26 LYS CD 1 1 17 9043 1 1 27 LYS CE C -5.153 5.207 -5.311 1.00 . A A . 26 LYS CE 1 1 17 9044 1 1 27 LYS CG C -4.466 5.189 -2.909 1.00 . A A . 26 LYS CG 1 1 17 9045 1 1 27 LYS H H -1.784 4.823 0.095 1.00 . A A . 26 LYS H 1 1 17 9046 1 1 27 LYS HA H -4.343 5.944 -0.281 1.00 . A A . 26 LYS HA 1 1 17 9047 1 1 27 LYS HB2 H -2.614 5.785 -2.061 1.00 . A A . 26 LYS HB2 1 1 17 9048 1 1 27 LYS HB3 H -2.868 4.048 -2.115 1.00 . A A . 26 LYS HB3 1 1 17 9049 1 1 27 LYS HD2 H -3.282 5.877 -4.540 1.00 . A A . 26 LYS HD2 1 1 17 9050 1 1 27 LYS HD3 H -3.511 4.125 -4.489 1.00 . A A . 26 LYS HD3 1 1 17 9051 1 1 27 LYS HE2 H -5.605 6.181 -5.188 1.00 . A A . 26 LYS HE2 1 1 17 9052 1 1 27 LYS HE3 H -4.780 5.109 -6.319 1.00 . A A . 26 LYS HE3 1 1 17 9053 1 1 27 LYS HG2 H -5.213 4.428 -2.737 1.00 . A A . 26 LYS HG2 1 1 17 9054 1 1 27 LYS HG3 H -4.905 6.164 -2.757 1.00 . A A . 26 LYS HG3 1 1 17 9055 1 1 27 LYS HZ1 H -6.970 4.279 -5.738 1.00 . A A . 26 LYS HZ1 1 1 17 9056 1 1 27 LYS HZ2 H -6.560 4.234 -4.097 1.00 . A A . 26 LYS HZ2 1 1 17 9057 1 1 27 LYS HZ3 H -5.772 3.216 -5.202 1.00 . A A . 26 LYS HZ3 1 1 17 9058 1 1 27 LYS N N -2.689 4.959 0.451 1.00 . A A . 26 LYS N 1 1 17 9059 1 1 27 LYS NZ N -6.185 4.163 -5.071 1.00 . A A . 26 LYS NZ 1 1 17 9060 1 1 27 LYS O O -5.980 4.008 -0.249 1.00 . A A . 26 LYS O 1 1 17 9061 1 1 28 TYR C C -5.823 1.721 1.563 1.00 . A A . 27 TYR C 1 1 17 9062 1 1 28 TYR CA C -4.951 1.491 0.340 1.00 . A A . 27 TYR CA 1 1 17 9063 1 1 28 TYR CB C -4.021 0.290 0.568 1.00 . A A . 27 TYR CB 1 1 17 9064 1 1 28 TYR CD1 C -5.391 -1.797 0.168 1.00 . A A . 27 TYR CD1 1 1 17 9065 1 1 28 TYR CD2 C -4.735 -1.290 2.402 1.00 . A A . 27 TYR CD2 1 1 17 9066 1 1 28 TYR CE1 C -6.030 -2.937 0.610 1.00 . A A . 27 TYR CE1 1 1 17 9067 1 1 28 TYR CE2 C -5.375 -2.428 2.849 1.00 . A A . 27 TYR CE2 1 1 17 9068 1 1 28 TYR CG C -4.731 -0.954 1.056 1.00 . A A . 27 TYR CG 1 1 17 9069 1 1 28 TYR CZ C -6.052 -3.228 1.954 1.00 . A A . 27 TYR CZ 1 1 17 9070 1 1 28 TYR H H -3.195 2.634 0.048 1.00 . A A . 27 TYR H 1 1 17 9071 1 1 28 TYR HA H -5.589 1.290 -0.508 1.00 . A A . 27 TYR HA 1 1 17 9072 1 1 28 TYR HB2 H -3.524 0.044 -0.359 1.00 . A A . 27 TYR HB2 1 1 17 9073 1 1 28 TYR HB3 H -3.280 0.560 1.302 1.00 . A A . 27 TYR HB3 1 1 17 9074 1 1 28 TYR HD1 H -5.397 -1.552 -0.883 1.00 . A A . 27 TYR HD1 1 1 17 9075 1 1 28 TYR HD2 H -4.232 -0.645 3.106 1.00 . A A . 27 TYR HD2 1 1 17 9076 1 1 28 TYR HE1 H -6.537 -3.579 -0.095 1.00 . A A . 27 TYR HE1 1 1 17 9077 1 1 28 TYR HE2 H -5.367 -2.672 3.900 1.00 . A A . 27 TYR HE2 1 1 17 9078 1 1 28 TYR HH H -6.471 -5.114 1.790 1.00 . A A . 27 TYR HH 1 1 17 9079 1 1 28 TYR N N -4.178 2.687 0.048 1.00 . A A . 27 TYR N 1 1 17 9080 1 1 28 TYR O O -6.987 1.344 1.577 1.00 . A A . 27 TYR O 1 1 17 9081 1 1 28 TYR OH O -6.652 -4.385 2.396 1.00 . A A . 27 TYR OH 1 1 17 9082 1 1 29 GLN C C -7.142 3.630 3.481 1.00 . A A . 28 GLN C 1 1 17 9083 1 1 29 GLN CA C -5.990 2.681 3.791 1.00 . A A . 28 GLN CA 1 1 17 9084 1 1 29 GLN CB C -5.064 3.316 4.835 1.00 . A A . 28 GLN CB 1 1 17 9085 1 1 29 GLN CD C -3.071 3.040 6.376 1.00 . A A . 28 GLN CD 1 1 17 9086 1 1 29 GLN CG C -3.979 2.380 5.355 1.00 . A A . 28 GLN CG 1 1 17 9087 1 1 29 GLN H H -4.310 2.616 2.508 1.00 . A A . 28 GLN H 1 1 17 9088 1 1 29 GLN HA H -6.393 1.761 4.188 1.00 . A A . 28 GLN HA 1 1 17 9089 1 1 29 GLN HB2 H -4.585 4.179 4.394 1.00 . A A . 28 GLN HB2 1 1 17 9090 1 1 29 GLN HB3 H -5.661 3.641 5.674 1.00 . A A . 28 GLN HB3 1 1 17 9091 1 1 29 GLN HE21 H -3.330 4.818 5.529 1.00 . A A . 28 GLN HE21 1 1 17 9092 1 1 29 GLN HE22 H -2.286 4.784 6.904 1.00 . A A . 28 GLN HE22 1 1 17 9093 1 1 29 GLN HG2 H -4.449 1.526 5.819 1.00 . A A . 28 GLN HG2 1 1 17 9094 1 1 29 GLN HG3 H -3.375 2.048 4.522 1.00 . A A . 28 GLN HG3 1 1 17 9095 1 1 29 GLN N N -5.253 2.357 2.578 1.00 . A A . 28 GLN N 1 1 17 9096 1 1 29 GLN NE2 N -2.879 4.344 6.260 1.00 . A A . 28 GLN NE2 1 1 17 9097 1 1 29 GLN O O -8.256 3.451 3.977 1.00 . A A . 28 GLN O 1 1 17 9098 1 1 29 GLN OE1 O -2.544 2.377 7.270 1.00 . A A . 28 GLN OE1 1 1 17 9099 1 1 30 LYS C C -9.009 4.952 1.503 1.00 . A A . 29 LYS C 1 1 17 9100 1 1 30 LYS CA C -7.863 5.615 2.264 1.00 . A A . 29 LYS CA 1 1 17 9101 1 1 30 LYS CB C -7.217 6.713 1.411 1.00 . A A . 29 LYS CB 1 1 17 9102 1 1 30 LYS CD C -8.862 8.491 2.106 1.00 . A A . 29 LYS CD 1 1 17 9103 1 1 30 LYS CE C -9.850 9.539 1.622 1.00 . A A . 29 LYS CE 1 1 17 9104 1 1 30 LYS CG C -8.188 7.784 0.941 1.00 . A A . 29 LYS CG 1 1 17 9105 1 1 30 LYS H H -5.952 4.709 2.294 1.00 . A A . 29 LYS H 1 1 17 9106 1 1 30 LYS HA H -8.254 6.056 3.165 1.00 . A A . 29 LYS HA 1 1 17 9107 1 1 30 LYS HB2 H -6.442 7.192 1.992 1.00 . A A . 29 LYS HB2 1 1 17 9108 1 1 30 LYS HB3 H -6.769 6.258 0.539 1.00 . A A . 29 LYS HB3 1 1 17 9109 1 1 30 LYS HD2 H -9.390 7.760 2.700 1.00 . A A . 29 LYS HD2 1 1 17 9110 1 1 30 LYS HD3 H -8.106 8.972 2.709 1.00 . A A . 29 LYS HD3 1 1 17 9111 1 1 30 LYS HE2 H -10.274 10.038 2.480 1.00 . A A . 29 LYS HE2 1 1 17 9112 1 1 30 LYS HE3 H -9.320 10.259 1.015 1.00 . A A . 29 LYS HE3 1 1 17 9113 1 1 30 LYS HG2 H -7.648 8.516 0.357 1.00 . A A . 29 LYS HG2 1 1 17 9114 1 1 30 LYS HG3 H -8.944 7.321 0.328 1.00 . A A . 29 LYS HG3 1 1 17 9115 1 1 30 LYS HZ1 H -11.507 8.286 1.398 1.00 . A A . 29 LYS HZ1 1 1 17 9116 1 1 30 LYS HZ2 H -10.562 8.427 0.004 1.00 . A A . 29 LYS HZ2 1 1 17 9117 1 1 30 LYS HZ3 H -11.581 9.694 0.463 1.00 . A A . 29 LYS HZ3 1 1 17 9118 1 1 30 LYS N N -6.864 4.630 2.653 1.00 . A A . 29 LYS N 1 1 17 9119 1 1 30 LYS NZ N -10.950 8.944 0.818 1.00 . A A . 29 LYS NZ 1 1 17 9120 1 1 30 LYS O O -10.182 5.151 1.828 1.00 . A A . 29 LYS O 1 1 17 9121 1 1 31 ASP C C -10.399 2.422 0.589 1.00 . A A . 30 ASP C 1 1 17 9122 1 1 31 ASP CA C -9.665 3.433 -0.284 1.00 . A A . 30 ASP CA 1 1 17 9123 1 1 31 ASP CB C -9.026 2.715 -1.478 1.00 . A A . 30 ASP CB 1 1 17 9124 1 1 31 ASP CG C -8.790 3.625 -2.668 1.00 . A A . 30 ASP CG 1 1 17 9125 1 1 31 ASP H H -7.713 4.065 0.259 1.00 . A A . 30 ASP H 1 1 17 9126 1 1 31 ASP HA H -10.381 4.151 -0.652 1.00 . A A . 30 ASP HA 1 1 17 9127 1 1 31 ASP HB2 H -8.074 2.303 -1.174 1.00 . A A . 30 ASP HB2 1 1 17 9128 1 1 31 ASP HB3 H -9.678 1.911 -1.790 1.00 . A A . 30 ASP HB3 1 1 17 9129 1 1 31 ASP N N -8.666 4.161 0.492 1.00 . A A . 30 ASP N 1 1 17 9130 1 1 31 ASP O O -11.603 2.231 0.454 1.00 . A A . 30 ASP O 1 1 17 9131 1 1 31 ASP OD1 O -7.701 4.229 -2.767 1.00 . A A . 30 ASP OD1 1 1 17 9132 1 1 31 ASP OD2 O -9.688 3.724 -3.534 1.00 . A A . 30 ASP OD2 1 1 17 9133 1 1 32 LEU C C -11.263 1.389 3.310 1.00 . A A . 31 LEU C 1 1 17 9134 1 1 32 LEU CA C -10.219 0.777 2.386 1.00 . A A . 31 LEU CA 1 1 17 9135 1 1 32 LEU CB C -9.099 0.140 3.215 1.00 . A A . 31 LEU CB 1 1 17 9136 1 1 32 LEU CD1 C -9.911 -2.239 3.160 1.00 . A A . 31 LEU CD1 1 1 17 9137 1 1 32 LEU CD2 C -8.329 -1.482 4.943 1.00 . A A . 31 LEU CD2 1 1 17 9138 1 1 32 LEU CG C -9.490 -1.078 4.051 1.00 . A A . 31 LEU CG 1 1 17 9139 1 1 32 LEU H H -8.703 2.001 1.552 1.00 . A A . 31 LEU H 1 1 17 9140 1 1 32 LEU HA H -10.691 0.019 1.781 1.00 . A A . 31 LEU HA 1 1 17 9141 1 1 32 LEU HB2 H -8.306 -0.154 2.544 1.00 . A A . 31 LEU HB2 1 1 17 9142 1 1 32 LEU HB3 H -8.712 0.892 3.888 1.00 . A A . 31 LEU HB3 1 1 17 9143 1 1 32 LEU HD11 H -10.099 -3.109 3.770 1.00 . A A . 31 LEU HD11 1 1 17 9144 1 1 32 LEU HD12 H -9.124 -2.457 2.455 1.00 . A A . 31 LEU HD12 1 1 17 9145 1 1 32 LEU HD13 H -10.812 -1.976 2.626 1.00 . A A . 31 LEU HD13 1 1 17 9146 1 1 32 LEU HD21 H -8.602 -2.352 5.519 1.00 . A A . 31 LEU HD21 1 1 17 9147 1 1 32 LEU HD22 H -8.091 -0.666 5.612 1.00 . A A . 31 LEU HD22 1 1 17 9148 1 1 32 LEU HD23 H -7.467 -1.706 4.332 1.00 . A A . 31 LEU HD23 1 1 17 9149 1 1 32 LEU HG H -10.326 -0.821 4.685 1.00 . A A . 31 LEU HG 1 1 17 9150 1 1 32 LEU N N -9.661 1.787 1.491 1.00 . A A . 31 LEU N 1 1 17 9151 1 1 32 LEU O O -12.330 0.811 3.528 1.00 . A A . 31 LEU O 1 1 17 9152 1 1 33 ALA C C -13.098 3.700 3.967 1.00 . A A . 32 ALA C 1 1 17 9153 1 1 33 ALA CA C -11.851 3.277 4.726 1.00 . A A . 32 ALA CA 1 1 17 9154 1 1 33 ALA CB C -11.155 4.490 5.315 1.00 . A A . 32 ALA CB 1 1 17 9155 1 1 33 ALA H H -10.058 2.940 3.665 1.00 . A A . 32 ALA H 1 1 17 9156 1 1 33 ALA HA H -12.132 2.621 5.534 1.00 . A A . 32 ALA HA 1 1 17 9157 1 1 33 ALA HB1 H -10.240 4.181 5.796 1.00 . A A . 32 ALA HB1 1 1 17 9158 1 1 33 ALA HB2 H -11.803 4.958 6.041 1.00 . A A . 32 ALA HB2 1 1 17 9159 1 1 33 ALA HB3 H -10.931 5.192 4.526 1.00 . A A . 32 ALA HB3 1 1 17 9160 1 1 33 ALA N N -10.940 2.555 3.854 1.00 . A A . 32 ALA N 1 1 17 9161 1 1 33 ALA O O -14.220 3.568 4.458 1.00 . A A . 32 ALA O 1 1 17 9162 1 1 34 ASP C C -14.860 3.456 1.502 1.00 . A A . 33 ASP C 1 1 17 9163 1 1 34 ASP CA C -13.995 4.641 1.911 1.00 . A A . 33 ASP CA 1 1 17 9164 1 1 34 ASP CB C -13.463 5.357 0.666 1.00 . A A . 33 ASP CB 1 1 17 9165 1 1 34 ASP CG C -14.573 5.849 -0.242 1.00 . A A . 33 ASP CG 1 1 17 9166 1 1 34 ASP H H -11.970 4.283 2.426 1.00 . A A . 33 ASP H 1 1 17 9167 1 1 34 ASP HA H -14.595 5.330 2.485 1.00 . A A . 33 ASP HA 1 1 17 9168 1 1 34 ASP HB2 H -12.872 6.208 0.972 1.00 . A A . 33 ASP HB2 1 1 17 9169 1 1 34 ASP HB3 H -12.840 4.675 0.105 1.00 . A A . 33 ASP HB3 1 1 17 9170 1 1 34 ASP N N -12.892 4.202 2.757 1.00 . A A . 33 ASP N 1 1 17 9171 1 1 34 ASP O O -16.081 3.570 1.390 1.00 . A A . 33 ASP O 1 1 17 9172 1 1 34 ASP OD1 O -14.872 5.174 -1.250 1.00 . A A . 33 ASP OD1 1 1 17 9173 1 1 34 ASP OD2 O -15.145 6.923 0.039 1.00 . A A . 33 ASP OD2 1 1 17 9174 1 1 35 TYR C C -15.799 0.609 2.049 1.00 . A A . 34 TYR C 1 1 17 9175 1 1 35 TYR CA C -14.907 1.095 0.911 1.00 . A A . 34 TYR CA 1 1 17 9176 1 1 35 TYR CB C -13.887 0.015 0.536 1.00 . A A . 34 TYR CB 1 1 17 9177 1 1 35 TYR CD1 C -14.930 -1.336 -1.315 1.00 . A A . 34 TYR CD1 1 1 17 9178 1 1 35 TYR CD2 C -14.671 -2.365 0.818 1.00 . A A . 34 TYR CD2 1 1 17 9179 1 1 35 TYR CE1 C -15.500 -2.491 -1.808 1.00 . A A . 34 TYR CE1 1 1 17 9180 1 1 35 TYR CE2 C -15.239 -3.526 0.333 1.00 . A A . 34 TYR CE2 1 1 17 9181 1 1 35 TYR CG C -14.509 -1.253 0.004 1.00 . A A . 34 TYR CG 1 1 17 9182 1 1 35 TYR CZ C -15.652 -3.586 -0.980 1.00 . A A . 34 TYR CZ 1 1 17 9183 1 1 35 TYR H H -13.237 2.300 1.389 1.00 . A A . 34 TYR H 1 1 17 9184 1 1 35 TYR HA H -15.521 1.312 0.051 1.00 . A A . 34 TYR HA 1 1 17 9185 1 1 35 TYR HB2 H -13.226 0.403 -0.225 1.00 . A A . 34 TYR HB2 1 1 17 9186 1 1 35 TYR HB3 H -13.310 -0.240 1.411 1.00 . A A . 34 TYR HB3 1 1 17 9187 1 1 35 TYR HD1 H -14.809 -0.479 -1.960 1.00 . A A . 34 TYR HD1 1 1 17 9188 1 1 35 TYR HD2 H -14.347 -2.316 1.846 1.00 . A A . 34 TYR HD2 1 1 17 9189 1 1 35 TYR HE1 H -15.818 -2.534 -2.838 1.00 . A A . 34 TYR HE1 1 1 17 9190 1 1 35 TYR HE2 H -15.357 -4.379 0.983 1.00 . A A . 34 TYR HE2 1 1 17 9191 1 1 35 TYR HH H -16.877 -5.067 -0.827 1.00 . A A . 34 TYR HH 1 1 17 9192 1 1 35 TYR N N -14.215 2.318 1.292 1.00 . A A . 34 TYR N 1 1 17 9193 1 1 35 TYR O O -16.982 0.324 1.851 1.00 . A A . 34 TYR O 1 1 17 9194 1 1 35 TYR OH O -16.224 -4.741 -1.466 1.00 . A A . 34 TYR OH 1 1 17 9195 1 1 36 NH2 HN1 H -14.284 0.768 3.325 1.00 . A A . 35 NH2 HN1 1 1 17 9196 1 1 36 NH2 HN2 H -15.780 0.212 3.994 1.00 . A A . 35 NH2 HN2 1 1 17 9197 1 1 36 NH2 N N -15.232 0.520 3.242 1.00 . A A . 35 NH2 N 1 1 18 9198 1 1 1 ACE C C -13.725 -3.872 -3.681 1.00 . A A . 0 ACE C 1 1 18 9199 1 1 1 ACE CH3 C -14.415 -2.618 -3.235 1.00 . A A . 0 ACE CH3 1 1 18 9200 1 1 1 ACE H1 H -15.017 -2.242 -4.055 1.00 . A A . 0 ACE H1 1 1 18 9201 1 1 1 ACE H2 H -13.682 -1.882 -2.964 1.00 . A A . 0 ACE H2 1 1 18 9202 1 1 1 ACE H3 H -15.031 -2.851 -2.374 1.00 . A A . 0 ACE H3 1 1 18 9203 1 1 1 ACE O O -13.514 -4.089 -4.876 1.00 . A A . 0 ACE O 1 1 18 9204 1 1 2 PRO C C -11.002 -4.013 -2.397 1.00 . A A . 1 PRO C 1 1 18 9205 1 1 2 PRO CA C -12.317 -4.412 -1.734 1.00 . A A . 1 PRO CA 1 1 18 9206 1 1 2 PRO CB C -12.145 -5.723 -0.952 1.00 . A A . 1 PRO CB 1 1 18 9207 1 1 2 PRO CD C -13.911 -6.067 -2.522 1.00 . A A . 1 PRO CD 1 1 18 9208 1 1 2 PRO CG C -12.819 -6.772 -1.769 1.00 . A A . 1 PRO CG 1 1 18 9209 1 1 2 PRO HA H -12.639 -3.626 -1.068 1.00 . A A . 1 PRO HA 1 1 18 9210 1 1 2 PRO HB2 H -11.092 -5.944 -0.833 1.00 . A A . 1 PRO HB2 1 1 18 9211 1 1 2 PRO HB3 H -12.620 -5.645 0.013 1.00 . A A . 1 PRO HB3 1 1 18 9212 1 1 2 PRO HD2 H -14.105 -6.552 -3.469 1.00 . A A . 1 PRO HD2 1 1 18 9213 1 1 2 PRO HD3 H -14.813 -6.015 -1.929 1.00 . A A . 1 PRO HD3 1 1 18 9214 1 1 2 PRO HG2 H -12.107 -7.213 -2.453 1.00 . A A . 1 PRO HG2 1 1 18 9215 1 1 2 PRO HG3 H -13.241 -7.526 -1.123 1.00 . A A . 1 PRO HG3 1 1 18 9216 1 1 2 PRO N N -13.349 -4.728 -2.725 1.00 . A A . 1 PRO N 1 1 18 9217 1 1 2 PRO O O -10.600 -4.613 -3.395 1.00 . A A . 1 PRO O 1 1 18 9218 1 1 3 PRO C C -7.990 -3.625 -2.405 1.00 . A A . 2 PRO C 1 1 18 9219 1 1 3 PRO CA C -9.042 -2.527 -2.410 1.00 . A A . 2 PRO CA 1 1 18 9220 1 1 3 PRO CB C -8.621 -1.396 -1.470 1.00 . A A . 2 PRO CB 1 1 18 9221 1 1 3 PRO CD C -10.727 -2.206 -0.684 1.00 . A A . 2 PRO CD 1 1 18 9222 1 1 3 PRO CG C -9.440 -1.571 -0.239 1.00 . A A . 2 PRO CG 1 1 18 9223 1 1 3 PRO HA H -9.161 -2.142 -3.412 1.00 . A A . 2 PRO HA 1 1 18 9224 1 1 3 PRO HB2 H -7.564 -1.484 -1.246 1.00 . A A . 2 PRO HB2 1 1 18 9225 1 1 3 PRO HB3 H -8.831 -0.441 -1.924 1.00 . A A . 2 PRO HB3 1 1 18 9226 1 1 3 PRO HD2 H -11.121 -2.847 0.092 1.00 . A A . 2 PRO HD2 1 1 18 9227 1 1 3 PRO HD3 H -11.451 -1.451 -0.956 1.00 . A A . 2 PRO HD3 1 1 18 9228 1 1 3 PRO HG2 H -8.918 -2.214 0.458 1.00 . A A . 2 PRO HG2 1 1 18 9229 1 1 3 PRO HG3 H -9.637 -0.610 0.212 1.00 . A A . 2 PRO HG3 1 1 18 9230 1 1 3 PRO N N -10.319 -2.989 -1.861 1.00 . A A . 2 PRO N 1 1 18 9231 1 1 3 PRO O O -7.742 -4.252 -1.376 1.00 . A A . 2 PRO O 1 1 18 9232 1 1 4 THR C C -5.106 -4.385 -2.884 1.00 . A A . 3 THR C 1 1 18 9233 1 1 4 THR CA C -6.332 -4.851 -3.659 1.00 . A A . 3 THR CA 1 1 18 9234 1 1 4 THR CB C -5.960 -5.100 -5.129 1.00 . A A . 3 THR CB 1 1 18 9235 1 1 4 THR CG2 C -4.994 -6.268 -5.252 1.00 . A A . 3 THR CG2 1 1 18 9236 1 1 4 THR H H -7.663 -3.377 -4.356 1.00 . A A . 3 THR H 1 1 18 9237 1 1 4 THR HA H -6.686 -5.776 -3.232 1.00 . A A . 3 THR HA 1 1 18 9238 1 1 4 THR HB H -5.486 -4.215 -5.522 1.00 . A A . 3 THR HB 1 1 18 9239 1 1 4 THR HG1 H -7.005 -5.130 -6.807 1.00 . A A . 3 THR HG1 1 1 18 9240 1 1 4 THR HG21 H -5.464 -7.164 -4.872 1.00 . A A . 3 THR HG21 1 1 18 9241 1 1 4 THR HG22 H -4.104 -6.059 -4.678 1.00 . A A . 3 THR HG22 1 1 18 9242 1 1 4 THR HG23 H -4.730 -6.409 -6.289 1.00 . A A . 3 THR HG23 1 1 18 9243 1 1 4 THR N N -7.388 -3.869 -3.554 1.00 . A A . 3 THR N 1 1 18 9244 1 1 4 THR O O -4.630 -3.262 -3.070 1.00 . A A . 3 THR O 1 1 18 9245 1 1 4 THR OG1 O -7.148 -5.377 -5.886 1.00 . A A . 3 THR OG1 1 1 18 9246 1 1 5 LYS C C -2.235 -4.717 -2.040 1.00 . A A . 4 LYS C 1 1 18 9247 1 1 5 LYS CA C -3.469 -4.927 -1.171 1.00 . A A . 4 LYS CA 1 1 18 9248 1 1 5 LYS CB C -3.219 -6.053 -0.164 1.00 . A A . 4 LYS CB 1 1 18 9249 1 1 5 LYS CD C -4.086 -7.395 1.785 1.00 . A A . 4 LYS CD 1 1 18 9250 1 1 5 LYS CE C -3.965 -8.735 1.073 1.00 . A A . 4 LYS CE 1 1 18 9251 1 1 5 LYS CG C -4.364 -6.258 0.813 1.00 . A A . 4 LYS CG 1 1 18 9252 1 1 5 LYS H H -5.053 -6.121 -1.903 1.00 . A A . 4 LYS H 1 1 18 9253 1 1 5 LYS HA H -3.684 -4.016 -0.636 1.00 . A A . 4 LYS HA 1 1 18 9254 1 1 5 LYS HB2 H -3.069 -6.976 -0.707 1.00 . A A . 4 LYS HB2 1 1 18 9255 1 1 5 LYS HB3 H -2.326 -5.825 0.402 1.00 . A A . 4 LYS HB3 1 1 18 9256 1 1 5 LYS HD2 H -3.162 -7.191 2.303 1.00 . A A . 4 LYS HD2 1 1 18 9257 1 1 5 LYS HD3 H -4.896 -7.447 2.499 1.00 . A A . 4 LYS HD3 1 1 18 9258 1 1 5 LYS HE2 H -4.888 -8.935 0.551 1.00 . A A . 4 LYS HE2 1 1 18 9259 1 1 5 LYS HE3 H -3.156 -8.680 0.362 1.00 . A A . 4 LYS HE3 1 1 18 9260 1 1 5 LYS HG2 H -4.509 -5.349 1.377 1.00 . A A . 4 LYS HG2 1 1 18 9261 1 1 5 LYS HG3 H -5.262 -6.481 0.256 1.00 . A A . 4 LYS HG3 1 1 18 9262 1 1 5 LYS HZ1 H -4.510 -9.979 2.662 1.00 . A A . 4 LYS HZ1 1 1 18 9263 1 1 5 LYS HZ2 H -2.858 -9.636 2.598 1.00 . A A . 4 LYS HZ2 1 1 18 9264 1 1 5 LYS HZ3 H -3.533 -10.734 1.506 1.00 . A A . 4 LYS HZ3 1 1 18 9265 1 1 5 LYS N N -4.623 -5.243 -1.998 1.00 . A A . 4 LYS N 1 1 18 9266 1 1 5 LYS NZ N -3.698 -9.849 2.024 1.00 . A A . 4 LYS NZ 1 1 18 9267 1 1 5 LYS O O -2.073 -5.387 -3.064 1.00 . A A . 4 LYS O 1 1 18 9268 1 1 6 PRO C C 0.807 -4.701 -2.415 1.00 . A A . 5 PRO C 1 1 18 9269 1 1 6 PRO CA C -0.134 -3.503 -2.414 1.00 . A A . 5 PRO CA 1 1 18 9270 1 1 6 PRO CB C 0.504 -2.320 -1.683 1.00 . A A . 5 PRO CB 1 1 18 9271 1 1 6 PRO CD C -1.505 -2.870 -0.502 1.00 . A A . 5 PRO CD 1 1 18 9272 1 1 6 PRO CG C -0.121 -2.304 -0.331 1.00 . A A . 5 PRO CG 1 1 18 9273 1 1 6 PRO HA H -0.349 -3.223 -3.434 1.00 . A A . 5 PRO HA 1 1 18 9274 1 1 6 PRO HB2 H 1.575 -2.468 -1.614 1.00 . A A . 5 PRO HB2 1 1 18 9275 1 1 6 PRO HB3 H 0.285 -1.401 -2.204 1.00 . A A . 5 PRO HB3 1 1 18 9276 1 1 6 PRO HD2 H -1.800 -3.423 0.381 1.00 . A A . 5 PRO HD2 1 1 18 9277 1 1 6 PRO HD3 H -2.215 -2.078 -0.711 1.00 . A A . 5 PRO HD3 1 1 18 9278 1 1 6 PRO HG2 H 0.461 -2.918 0.348 1.00 . A A . 5 PRO HG2 1 1 18 9279 1 1 6 PRO HG3 H -0.178 -1.288 0.029 1.00 . A A . 5 PRO HG3 1 1 18 9280 1 1 6 PRO N N -1.362 -3.767 -1.666 1.00 . A A . 5 PRO N 1 1 18 9281 1 1 6 PRO O O 1.365 -5.079 -1.383 1.00 . A A . 5 PRO O 1 1 18 9282 1 1 7 THR C C 3.290 -6.003 -3.864 1.00 . A A . 6 THR C 1 1 18 9283 1 1 7 THR CA C 1.831 -6.446 -3.755 1.00 . A A . 6 THR CA 1 1 18 9284 1 1 7 THR CB C 1.419 -7.231 -5.009 1.00 . A A . 6 THR CB 1 1 18 9285 1 1 7 THR CG2 C 2.032 -8.622 -5.013 1.00 . A A . 6 THR CG2 1 1 18 9286 1 1 7 THR H H 0.481 -4.949 -4.361 1.00 . A A . 6 THR H 1 1 18 9287 1 1 7 THR HA H 1.718 -7.086 -2.896 1.00 . A A . 6 THR HA 1 1 18 9288 1 1 7 THR HB H 1.761 -6.696 -5.879 1.00 . A A . 6 THR HB 1 1 18 9289 1 1 7 THR HG1 H -0.353 -7.349 -4.144 1.00 . A A . 6 THR HG1 1 1 18 9290 1 1 7 THR HG21 H 1.716 -9.156 -4.128 1.00 . A A . 6 THR HG21 1 1 18 9291 1 1 7 THR HG22 H 3.109 -8.540 -5.020 1.00 . A A . 6 THR HG22 1 1 18 9292 1 1 7 THR HG23 H 1.704 -9.156 -5.891 1.00 . A A . 6 THR HG23 1 1 18 9293 1 1 7 THR N N 0.967 -5.294 -3.584 1.00 . A A . 6 THR N 1 1 18 9294 1 1 7 THR O O 4.212 -6.823 -3.900 1.00 . A A . 6 THR O 1 1 18 9295 1 1 7 THR OG1 O -0.011 -7.342 -5.049 1.00 . A A . 6 THR OG1 1 1 18 9296 1 1 8 LYS C C 5.617 -4.558 -2.721 1.00 . A A . 7 LYS C 1 1 18 9297 1 1 8 LYS CA C 4.806 -4.091 -3.930 1.00 . A A . 7 LYS CA 1 1 18 9298 1 1 8 LYS CB C 4.679 -2.565 -3.921 1.00 . A A . 7 LYS CB 1 1 18 9299 1 1 8 LYS CD C 3.641 -0.504 -4.919 1.00 . A A . 7 LYS CD 1 1 18 9300 1 1 8 LYS CE C 2.692 0.045 -5.976 1.00 . A A . 7 LYS CE 1 1 18 9301 1 1 8 LYS CG C 3.822 -2.011 -5.050 1.00 . A A . 7 LYS CG 1 1 18 9302 1 1 8 LYS H H 2.696 -4.107 -3.924 1.00 . A A . 7 LYS H 1 1 18 9303 1 1 8 LYS HA H 5.304 -4.403 -4.834 1.00 . A A . 7 LYS HA 1 1 18 9304 1 1 8 LYS HB2 H 4.237 -2.262 -2.985 1.00 . A A . 7 LYS HB2 1 1 18 9305 1 1 8 LYS HB3 H 5.664 -2.132 -3.999 1.00 . A A . 7 LYS HB3 1 1 18 9306 1 1 8 LYS HD2 H 3.237 -0.282 -3.942 1.00 . A A . 7 LYS HD2 1 1 18 9307 1 1 8 LYS HD3 H 4.603 -0.024 -5.029 1.00 . A A . 7 LYS HD3 1 1 18 9308 1 1 8 LYS HE2 H 2.654 1.121 -5.882 1.00 . A A . 7 LYS HE2 1 1 18 9309 1 1 8 LYS HE3 H 3.071 -0.215 -6.953 1.00 . A A . 7 LYS HE3 1 1 18 9310 1 1 8 LYS HG2 H 4.305 -2.226 -5.994 1.00 . A A . 7 LYS HG2 1 1 18 9311 1 1 8 LYS HG3 H 2.852 -2.488 -5.021 1.00 . A A . 7 LYS HG3 1 1 18 9312 1 1 8 LYS HZ1 H 0.928 -0.260 -4.886 1.00 . A A . 7 LYS HZ1 1 1 18 9313 1 1 8 LYS HZ2 H 1.317 -1.533 -5.937 1.00 . A A . 7 LYS HZ2 1 1 18 9314 1 1 8 LYS HZ3 H 0.690 -0.092 -6.555 1.00 . A A . 7 LYS HZ3 1 1 18 9315 1 1 8 LYS N N 3.479 -4.691 -3.907 1.00 . A A . 7 LYS N 1 1 18 9316 1 1 8 LYS NZ N 1.314 -0.499 -5.829 1.00 . A A . 7 LYS NZ 1 1 18 9317 1 1 8 LYS O O 5.047 -4.853 -1.667 1.00 . A A . 7 LYS O 1 1 18 9318 1 1 9 PRO C C 7.668 -4.272 -0.513 1.00 . A A . 8 PRO C 1 1 18 9319 1 1 9 PRO CA C 7.828 -5.106 -1.777 1.00 . A A . 8 PRO CA 1 1 18 9320 1 1 9 PRO CB C 9.239 -4.948 -2.350 1.00 . A A . 8 PRO CB 1 1 18 9321 1 1 9 PRO CD C 7.708 -4.301 -4.068 1.00 . A A . 8 PRO CD 1 1 18 9322 1 1 9 PRO CG C 9.091 -4.055 -3.532 1.00 . A A . 8 PRO CG 1 1 18 9323 1 1 9 PRO HA H 7.648 -6.143 -1.542 1.00 . A A . 8 PRO HA 1 1 18 9324 1 1 9 PRO HB2 H 9.886 -4.502 -1.605 1.00 . A A . 8 PRO HB2 1 1 18 9325 1 1 9 PRO HB3 H 9.625 -5.906 -2.654 1.00 . A A . 8 PRO HB3 1 1 18 9326 1 1 9 PRO HD2 H 7.310 -3.406 -4.529 1.00 . A A . 8 PRO HD2 1 1 18 9327 1 1 9 PRO HD3 H 7.709 -5.126 -4.769 1.00 . A A . 8 PRO HD3 1 1 18 9328 1 1 9 PRO HG2 H 9.200 -3.025 -3.218 1.00 . A A . 8 PRO HG2 1 1 18 9329 1 1 9 PRO HG3 H 9.831 -4.302 -4.278 1.00 . A A . 8 PRO HG3 1 1 18 9330 1 1 9 PRO N N 6.949 -4.646 -2.858 1.00 . A A . 8 PRO N 1 1 18 9331 1 1 9 PRO O O 7.852 -3.053 -0.524 1.00 . A A . 8 PRO O 1 1 18 9332 1 1 10 GLY C C 7.779 -4.899 2.985 1.00 . A A . 9 GLY C 1 1 18 9333 1 1 10 GLY CA C 7.065 -4.256 1.817 1.00 . A A . 9 GLY CA 1 1 18 9334 1 1 10 GLY H H 7.230 -5.914 0.520 1.00 . A A . 9 GLY H 1 1 18 9335 1 1 10 GLY HA2 H 7.395 -3.233 1.725 1.00 . A A . 9 GLY HA2 1 1 18 9336 1 1 10 GLY HA3 H 6.003 -4.265 2.012 1.00 . A A . 9 GLY HA3 1 1 18 9337 1 1 10 GLY N N 7.316 -4.941 0.570 1.00 . A A . 9 GLY N 1 1 18 9338 1 1 10 GLY O O 8.011 -4.253 4.007 1.00 . A A . 9 GLY O 1 1 18 9339 1 1 11 ASP C C 10.310 -6.585 3.861 1.00 . A A . 10 ASP C 1 1 18 9340 1 1 11 ASP CA C 8.822 -6.896 3.897 1.00 . A A . 10 ASP CA 1 1 18 9341 1 1 11 ASP CB C 8.606 -8.406 3.763 1.00 . A A . 10 ASP CB 1 1 18 9342 1 1 11 ASP CG C 7.156 -8.813 3.921 1.00 . A A . 10 ASP CG 1 1 18 9343 1 1 11 ASP H H 7.926 -6.628 1.995 1.00 . A A . 10 ASP H 1 1 18 9344 1 1 11 ASP HA H 8.422 -6.563 4.840 1.00 . A A . 10 ASP HA 1 1 18 9345 1 1 11 ASP HB2 H 8.940 -8.722 2.789 1.00 . A A . 10 ASP HB2 1 1 18 9346 1 1 11 ASP HB3 H 9.188 -8.913 4.518 1.00 . A A . 10 ASP HB3 1 1 18 9347 1 1 11 ASP N N 8.130 -6.170 2.837 1.00 . A A . 10 ASP N 1 1 18 9348 1 1 11 ASP O O 10.924 -6.290 4.887 1.00 . A A . 10 ASP O 1 1 18 9349 1 1 11 ASP OD1 O 6.707 -8.997 5.075 1.00 . A A . 10 ASP OD1 1 1 18 9350 1 1 11 ASP OD2 O 6.452 -8.949 2.897 1.00 . A A . 10 ASP OD2 1 1 18 9351 1 1 12 ASN C C 12.511 -5.528 1.230 1.00 . A A . 11 ASN C 1 1 18 9352 1 1 12 ASN CA C 12.294 -6.353 2.491 1.00 . A A . 11 ASN CA 1 1 18 9353 1 1 12 ASN CB C 13.109 -7.648 2.431 1.00 . A A . 11 ASN CB 1 1 18 9354 1 1 12 ASN CG C 14.591 -7.387 2.225 1.00 . A A . 11 ASN CG 1 1 18 9355 1 1 12 ASN H H 10.339 -6.879 1.889 1.00 . A A . 11 ASN H 1 1 18 9356 1 1 12 ASN HA H 12.618 -5.778 3.343 1.00 . A A . 11 ASN HA 1 1 18 9357 1 1 12 ASN HB2 H 12.984 -8.185 3.359 1.00 . A A . 11 ASN HB2 1 1 18 9358 1 1 12 ASN HB3 H 12.749 -8.256 1.616 1.00 . A A . 11 ASN HB3 1 1 18 9359 1 1 12 ASN HD21 H 14.410 -7.652 0.262 1.00 . A A . 11 ASN HD21 1 1 18 9360 1 1 12 ASN HD22 H 16.003 -7.289 0.831 1.00 . A A . 11 ASN HD22 1 1 18 9361 1 1 12 ASN N N 10.881 -6.642 2.671 1.00 . A A . 11 ASN N 1 1 18 9362 1 1 12 ASN ND2 N 15.047 -7.447 0.983 1.00 . A A . 11 ASN ND2 1 1 18 9363 1 1 12 ASN O O 12.249 -5.992 0.119 1.00 . A A . 11 ASN O 1 1 18 9364 1 1 12 ASN OD1 O 15.327 -7.147 3.183 1.00 . A A . 11 ASN OD1 1 1 18 9365 1 1 13 ALA C C 14.054 -2.213 0.797 1.00 . A A . 12 ALA C 1 1 18 9366 1 1 13 ALA CA C 13.211 -3.382 0.314 1.00 . A A . 12 ALA CA 1 1 18 9367 1 1 13 ALA CB C 11.888 -2.882 -0.249 1.00 . A A . 12 ALA CB 1 1 18 9368 1 1 13 ALA H H 13.183 -4.004 2.323 1.00 . A A . 12 ALA H 1 1 18 9369 1 1 13 ALA HA H 13.742 -3.904 -0.467 1.00 . A A . 12 ALA HA 1 1 18 9370 1 1 13 ALA HB1 H 11.377 -2.294 0.500 1.00 . A A . 12 ALA HB1 1 1 18 9371 1 1 13 ALA HB2 H 11.274 -3.727 -0.522 1.00 . A A . 12 ALA HB2 1 1 18 9372 1 1 13 ALA HB3 H 12.074 -2.276 -1.121 1.00 . A A . 12 ALA HB3 1 1 18 9373 1 1 13 ALA N N 12.979 -4.303 1.414 1.00 . A A . 12 ALA N 1 1 18 9374 1 1 13 ALA O O 14.326 -2.099 1.994 1.00 . A A . 12 ALA O 1 1 18 9375 1 1 14 THR C C 14.314 0.826 0.952 1.00 . A A . 13 THR C 1 1 18 9376 1 1 14 THR CA C 15.219 -0.164 0.231 1.00 . A A . 13 THR CA 1 1 18 9377 1 1 14 THR CB C 15.827 0.502 -1.016 1.00 . A A . 13 THR CB 1 1 18 9378 1 1 14 THR CG2 C 16.910 -0.376 -1.613 1.00 . A A . 13 THR CG2 1 1 18 9379 1 1 14 THR H H 14.290 -1.545 -1.071 1.00 . A A . 13 THR H 1 1 18 9380 1 1 14 THR HA H 16.025 -0.447 0.892 1.00 . A A . 13 THR HA 1 1 18 9381 1 1 14 THR HB H 16.270 1.440 -0.722 1.00 . A A . 13 THR HB 1 1 18 9382 1 1 14 THR HG1 H 15.220 1.087 -2.801 1.00 . A A . 13 THR HG1 1 1 18 9383 1 1 14 THR HG21 H 17.713 -0.484 -0.899 1.00 . A A . 13 THR HG21 1 1 18 9384 1 1 14 THR HG22 H 17.286 0.079 -2.516 1.00 . A A . 13 THR HG22 1 1 18 9385 1 1 14 THR HG23 H 16.497 -1.348 -1.839 1.00 . A A . 13 THR HG23 1 1 18 9386 1 1 14 THR N N 14.478 -1.364 -0.124 1.00 . A A . 13 THR N 1 1 18 9387 1 1 14 THR O O 13.101 0.836 0.735 1.00 . A A . 13 THR O 1 1 18 9388 1 1 14 THR OG1 O 14.811 0.750 -1.996 1.00 . A A . 13 THR OG1 1 1 18 9389 1 1 15 PRO C C 13.356 3.602 1.686 1.00 . A A . 14 PRO C 1 1 18 9390 1 1 15 PRO CA C 14.117 2.648 2.598 1.00 . A A . 14 PRO CA 1 1 18 9391 1 1 15 PRO CB C 15.186 3.403 3.401 1.00 . A A . 14 PRO CB 1 1 18 9392 1 1 15 PRO CD C 16.321 1.728 2.145 1.00 . A A . 14 PRO CD 1 1 18 9393 1 1 15 PRO CG C 16.473 3.106 2.726 1.00 . A A . 14 PRO CG 1 1 18 9394 1 1 15 PRO HA H 13.423 2.169 3.272 1.00 . A A . 14 PRO HA 1 1 18 9395 1 1 15 PRO HB2 H 14.979 4.465 3.380 1.00 . A A . 14 PRO HB2 1 1 18 9396 1 1 15 PRO HB3 H 15.213 3.046 4.417 1.00 . A A . 14 PRO HB3 1 1 18 9397 1 1 15 PRO HD2 H 16.919 1.624 1.253 1.00 . A A . 14 PRO HD2 1 1 18 9398 1 1 15 PRO HD3 H 16.587 0.973 2.870 1.00 . A A . 14 PRO HD3 1 1 18 9399 1 1 15 PRO HG2 H 16.651 3.839 1.944 1.00 . A A . 14 PRO HG2 1 1 18 9400 1 1 15 PRO HG3 H 17.276 3.115 3.448 1.00 . A A . 14 PRO HG3 1 1 18 9401 1 1 15 PRO N N 14.886 1.665 1.830 1.00 . A A . 14 PRO N 1 1 18 9402 1 1 15 PRO O O 12.251 4.043 2.008 1.00 . A A . 14 PRO O 1 1 18 9403 1 1 16 GLU C C 12.113 4.073 -1.051 1.00 . A A . 15 GLU C 1 1 18 9404 1 1 16 GLU CA C 13.341 4.755 -0.458 1.00 . A A . 15 GLU CA 1 1 18 9405 1 1 16 GLU CB C 14.349 5.098 -1.556 1.00 . A A . 15 GLU CB 1 1 18 9406 1 1 16 GLU CD C 14.809 6.350 -3.700 1.00 . A A . 15 GLU CD 1 1 18 9407 1 1 16 GLU CG C 13.773 5.957 -2.671 1.00 . A A . 15 GLU CG 1 1 18 9408 1 1 16 GLU H H 14.849 3.534 0.362 1.00 . A A . 15 GLU H 1 1 18 9409 1 1 16 GLU HA H 13.033 5.665 0.031 1.00 . A A . 15 GLU HA 1 1 18 9410 1 1 16 GLU HB2 H 15.177 5.632 -1.111 1.00 . A A . 15 GLU HB2 1 1 18 9411 1 1 16 GLU HB3 H 14.717 4.180 -1.989 1.00 . A A . 15 GLU HB3 1 1 18 9412 1 1 16 GLU HG2 H 12.985 5.407 -3.165 1.00 . A A . 15 GLU HG2 1 1 18 9413 1 1 16 GLU HG3 H 13.362 6.855 -2.236 1.00 . A A . 15 GLU HG3 1 1 18 9414 1 1 16 GLU N N 13.960 3.905 0.541 1.00 . A A . 15 GLU N 1 1 18 9415 1 1 16 GLU O O 11.050 4.683 -1.189 1.00 . A A . 15 GLU O 1 1 18 9416 1 1 16 GLU OE1 O 15.129 5.518 -4.572 1.00 . A A . 15 GLU OE1 1 1 18 9417 1 1 16 GLU OE2 O 15.312 7.496 -3.646 1.00 . A A . 15 GLU OE2 1 1 18 9418 1 1 17 LYS C C 10.071 1.796 -0.969 1.00 . A A . 16 LYS C 1 1 18 9419 1 1 17 LYS CA C 11.179 2.034 -1.983 1.00 . A A . 16 LYS CA 1 1 18 9420 1 1 17 LYS CB C 11.703 0.702 -2.523 1.00 . A A . 16 LYS CB 1 1 18 9421 1 1 17 LYS CD C 11.254 -1.380 -3.864 1.00 . A A . 16 LYS CD 1 1 18 9422 1 1 17 LYS CE C 12.391 -1.121 -4.841 1.00 . A A . 16 LYS CE 1 1 18 9423 1 1 17 LYS CG C 10.670 -0.089 -3.312 1.00 . A A . 16 LYS CG 1 1 18 9424 1 1 17 LYS H H 13.115 2.351 -1.203 1.00 . A A . 16 LYS H 1 1 18 9425 1 1 17 LYS HA H 10.782 2.615 -2.799 1.00 . A A . 16 LYS HA 1 1 18 9426 1 1 17 LYS HB2 H 12.548 0.894 -3.169 1.00 . A A . 16 LYS HB2 1 1 18 9427 1 1 17 LYS HB3 H 12.030 0.094 -1.691 1.00 . A A . 16 LYS HB3 1 1 18 9428 1 1 17 LYS HD2 H 11.628 -1.974 -3.044 1.00 . A A . 16 LYS HD2 1 1 18 9429 1 1 17 LYS HD3 H 10.473 -1.924 -4.374 1.00 . A A . 16 LYS HD3 1 1 18 9430 1 1 17 LYS HE2 H 13.178 -0.590 -4.326 1.00 . A A . 16 LYS HE2 1 1 18 9431 1 1 17 LYS HE3 H 12.770 -2.071 -5.188 1.00 . A A . 16 LYS HE3 1 1 18 9432 1 1 17 LYS HG2 H 9.842 -0.328 -2.661 1.00 . A A . 16 LYS HG2 1 1 18 9433 1 1 17 LYS HG3 H 10.320 0.518 -4.134 1.00 . A A . 16 LYS HG3 1 1 18 9434 1 1 17 LYS HZ1 H 11.158 -0.785 -6.491 1.00 . A A . 16 LYS HZ1 1 1 18 9435 1 1 17 LYS HZ2 H 12.734 -0.217 -6.690 1.00 . A A . 16 LYS HZ2 1 1 18 9436 1 1 17 LYS HZ3 H 11.650 0.628 -5.707 1.00 . A A . 16 LYS HZ3 1 1 18 9437 1 1 17 LYS N N 12.260 2.796 -1.378 1.00 . A A . 16 LYS N 1 1 18 9438 1 1 17 LYS NZ N 11.952 -0.317 -6.012 1.00 . A A . 16 LYS NZ 1 1 18 9439 1 1 17 LYS O O 8.889 1.873 -1.299 1.00 . A A . 16 LYS O 1 1 18 9440 1 1 18 LEU C C 8.703 2.620 1.580 1.00 . A A . 17 LEU C 1 1 18 9441 1 1 18 LEU CA C 9.496 1.344 1.343 1.00 . A A . 17 LEU CA 1 1 18 9442 1 1 18 LEU CB C 10.189 0.913 2.632 1.00 . A A . 17 LEU CB 1 1 18 9443 1 1 18 LEU CD1 C 11.357 -0.832 3.983 1.00 . A A . 17 LEU CD1 1 1 18 9444 1 1 18 LEU CD2 C 9.634 -1.508 2.309 1.00 . A A . 17 LEU CD2 1 1 18 9445 1 1 18 LEU CG C 10.735 -0.512 2.637 1.00 . A A . 17 LEU CG 1 1 18 9446 1 1 18 LEU H H 11.417 1.421 0.464 1.00 . A A . 17 LEU H 1 1 18 9447 1 1 18 LEU HA H 8.814 0.567 1.037 1.00 . A A . 17 LEU HA 1 1 18 9448 1 1 18 LEU HB2 H 11.011 1.586 2.810 1.00 . A A . 17 LEU HB2 1 1 18 9449 1 1 18 LEU HB3 H 9.486 1.008 3.442 1.00 . A A . 17 LEU HB3 1 1 18 9450 1 1 18 LEU HD11 H 11.774 -1.827 3.961 1.00 . A A . 17 LEU HD11 1 1 18 9451 1 1 18 LEU HD12 H 10.600 -0.775 4.751 1.00 . A A . 17 LEU HD12 1 1 18 9452 1 1 18 LEU HD13 H 12.139 -0.117 4.195 1.00 . A A . 17 LEU HD13 1 1 18 9453 1 1 18 LEU HD21 H 9.301 -1.354 1.293 1.00 . A A . 17 LEU HD21 1 1 18 9454 1 1 18 LEU HD22 H 8.805 -1.360 2.985 1.00 . A A . 17 LEU HD22 1 1 18 9455 1 1 18 LEU HD23 H 10.014 -2.513 2.416 1.00 . A A . 17 LEU HD23 1 1 18 9456 1 1 18 LEU HG H 11.504 -0.600 1.882 1.00 . A A . 17 LEU HG 1 1 18 9457 1 1 18 LEU N N 10.458 1.521 0.270 1.00 . A A . 17 LEU N 1 1 18 9458 1 1 18 LEU O O 7.523 2.569 1.907 1.00 . A A . 17 LEU O 1 1 18 9459 1 1 19 ALA C C 7.602 5.197 0.480 1.00 . A A . 18 ALA C 1 1 18 9460 1 1 19 ALA CA C 8.682 5.047 1.545 1.00 . A A . 18 ALA CA 1 1 18 9461 1 1 19 ALA CB C 9.684 6.181 1.447 1.00 . A A . 18 ALA CB 1 1 18 9462 1 1 19 ALA H H 10.309 3.747 1.197 1.00 . A A . 18 ALA H 1 1 18 9463 1 1 19 ALA HA H 8.224 5.082 2.519 1.00 . A A . 18 ALA HA 1 1 18 9464 1 1 19 ALA HB1 H 10.457 6.042 2.189 1.00 . A A . 18 ALA HB1 1 1 18 9465 1 1 19 ALA HB2 H 9.182 7.120 1.622 1.00 . A A . 18 ALA HB2 1 1 18 9466 1 1 19 ALA HB3 H 10.126 6.184 0.462 1.00 . A A . 18 ALA HB3 1 1 18 9467 1 1 19 ALA N N 9.354 3.765 1.409 1.00 . A A . 18 ALA N 1 1 18 9468 1 1 19 ALA O O 6.510 5.701 0.747 1.00 . A A . 18 ALA O 1 1 18 9469 1 1 20 LYS C C 5.843 3.752 -1.537 1.00 . A A . 19 LYS C 1 1 18 9470 1 1 20 LYS CA C 6.964 4.746 -1.823 1.00 . A A . 19 LYS CA 1 1 18 9471 1 1 20 LYS CB C 7.678 4.391 -3.129 1.00 . A A . 19 LYS CB 1 1 18 9472 1 1 20 LYS CD C 7.565 4.072 -5.613 1.00 . A A . 19 LYS CD 1 1 18 9473 1 1 20 LYS CE C 6.698 4.141 -6.858 1.00 . A A . 19 LYS CE 1 1 18 9474 1 1 20 LYS CG C 6.788 4.442 -4.361 1.00 . A A . 19 LYS CG 1 1 18 9475 1 1 20 LYS H H 8.821 4.391 -0.877 1.00 . A A . 19 LYS H 1 1 18 9476 1 1 20 LYS HA H 6.546 5.737 -1.899 1.00 . A A . 19 LYS HA 1 1 18 9477 1 1 20 LYS HB2 H 8.494 5.081 -3.274 1.00 . A A . 19 LYS HB2 1 1 18 9478 1 1 20 LYS HB3 H 8.079 3.390 -3.045 1.00 . A A . 19 LYS HB3 1 1 18 9479 1 1 20 LYS HD2 H 8.390 4.758 -5.727 1.00 . A A . 19 LYS HD2 1 1 18 9480 1 1 20 LYS HD3 H 7.944 3.066 -5.504 1.00 . A A . 19 LYS HD3 1 1 18 9481 1 1 20 LYS HE2 H 5.868 3.458 -6.743 1.00 . A A . 19 LYS HE2 1 1 18 9482 1 1 20 LYS HE3 H 6.322 5.148 -6.966 1.00 . A A . 19 LYS HE3 1 1 18 9483 1 1 20 LYS HG2 H 5.973 3.746 -4.236 1.00 . A A . 19 LYS HG2 1 1 18 9484 1 1 20 LYS HG3 H 6.398 5.444 -4.472 1.00 . A A . 19 LYS HG3 1 1 18 9485 1 1 20 LYS HZ1 H 8.293 4.392 -8.183 1.00 . A A . 19 LYS HZ1 1 1 18 9486 1 1 20 LYS HZ2 H 6.862 3.880 -8.920 1.00 . A A . 19 LYS HZ2 1 1 18 9487 1 1 20 LYS HZ3 H 7.783 2.788 -8.020 1.00 . A A . 19 LYS HZ3 1 1 18 9488 1 1 20 LYS N N 7.918 4.742 -0.724 1.00 . A A . 19 LYS N 1 1 18 9489 1 1 20 LYS NZ N 7.461 3.775 -8.080 1.00 . A A . 19 LYS NZ 1 1 18 9490 1 1 20 LYS O O 4.672 4.015 -1.816 1.00 . A A . 19 LYS O 1 1 18 9491 1 1 21 TYR C C 4.304 2.188 0.504 1.00 . A A . 20 TYR C 1 1 18 9492 1 1 21 TYR CA C 5.253 1.610 -0.537 1.00 . A A . 20 TYR CA 1 1 18 9493 1 1 21 TYR CB C 5.982 0.385 0.029 1.00 . A A . 20 TYR CB 1 1 18 9494 1 1 21 TYR CD1 C 4.419 -1.585 -0.220 1.00 . A A . 20 TYR CD1 1 1 18 9495 1 1 21 TYR CD2 C 4.841 -0.758 1.975 1.00 . A A . 20 TYR CD2 1 1 18 9496 1 1 21 TYR CE1 C 3.578 -2.549 0.303 1.00 . A A . 20 TYR CE1 1 1 18 9497 1 1 21 TYR CE2 C 4.003 -1.720 2.504 1.00 . A A . 20 TYR CE2 1 1 18 9498 1 1 21 TYR CG C 5.063 -0.673 0.604 1.00 . A A . 20 TYR CG 1 1 18 9499 1 1 21 TYR CZ C 3.374 -2.612 1.665 1.00 . A A . 20 TYR CZ 1 1 18 9500 1 1 21 TYR H H 7.174 2.448 -0.816 1.00 . A A . 20 TYR H 1 1 18 9501 1 1 21 TYR HA H 4.683 1.313 -1.404 1.00 . A A . 20 TYR HA 1 1 18 9502 1 1 21 TYR HB2 H 6.560 -0.073 -0.757 1.00 . A A . 20 TYR HB2 1 1 18 9503 1 1 21 TYR HB3 H 6.647 0.710 0.817 1.00 . A A . 20 TYR HB3 1 1 18 9504 1 1 21 TYR HD1 H 4.582 -1.534 -1.286 1.00 . A A . 20 TYR HD1 1 1 18 9505 1 1 21 TYR HD2 H 5.335 -0.057 2.631 1.00 . A A . 20 TYR HD2 1 1 18 9506 1 1 21 TYR HE1 H 3.086 -3.250 -0.356 1.00 . A A . 20 TYR HE1 1 1 18 9507 1 1 21 TYR HE2 H 3.843 -1.767 3.572 1.00 . A A . 20 TYR HE2 1 1 18 9508 1 1 21 TYR HH H 2.713 -4.418 1.760 1.00 . A A . 20 TYR HH 1 1 18 9509 1 1 21 TYR N N 6.216 2.618 -0.957 1.00 . A A . 20 TYR N 1 1 18 9510 1 1 21 TYR O O 3.104 1.941 0.461 1.00 . A A . 20 TYR O 1 1 18 9511 1 1 21 TYR OH O 2.536 -3.571 2.189 1.00 . A A . 20 TYR OH 1 1 18 9512 1 1 22 GLN C C 3.034 4.564 1.872 1.00 . A A . 21 GLN C 1 1 18 9513 1 1 22 GLN CA C 4.056 3.607 2.470 1.00 . A A . 21 GLN CA 1 1 18 9514 1 1 22 GLN CB C 4.960 4.360 3.445 1.00 . A A . 21 GLN CB 1 1 18 9515 1 1 22 GLN CD C 6.777 4.234 5.191 1.00 . A A . 21 GLN CD 1 1 18 9516 1 1 22 GLN CG C 5.841 3.453 4.290 1.00 . A A . 21 GLN CG 1 1 18 9517 1 1 22 GLN H H 5.824 3.118 1.409 1.00 . A A . 21 GLN H 1 1 18 9518 1 1 22 GLN HA H 3.531 2.830 3.003 1.00 . A A . 21 GLN HA 1 1 18 9519 1 1 22 GLN HB2 H 5.598 5.025 2.885 1.00 . A A . 21 GLN HB2 1 1 18 9520 1 1 22 GLN HB3 H 4.342 4.945 4.108 1.00 . A A . 21 GLN HB3 1 1 18 9521 1 1 22 GLN HE21 H 8.112 2.760 5.143 1.00 . A A . 21 GLN HE21 1 1 18 9522 1 1 22 GLN HE22 H 8.551 4.146 6.081 1.00 . A A . 21 GLN HE22 1 1 18 9523 1 1 22 GLN HG2 H 5.210 2.830 4.905 1.00 . A A . 21 GLN HG2 1 1 18 9524 1 1 22 GLN HG3 H 6.430 2.832 3.631 1.00 . A A . 21 GLN HG3 1 1 18 9525 1 1 22 GLN N N 4.851 2.971 1.426 1.00 . A A . 21 GLN N 1 1 18 9526 1 1 22 GLN NE2 N 7.927 3.656 5.503 1.00 . A A . 21 GLN NE2 1 1 18 9527 1 1 22 GLN O O 1.905 4.662 2.356 1.00 . A A . 21 GLN O 1 1 18 9528 1 1 22 GLN OE1 O 6.464 5.347 5.614 1.00 . A A . 21 GLN OE1 1 1 18 9529 1 1 23 ALA C C 1.428 5.444 -0.579 1.00 . A A . 22 ALA C 1 1 18 9530 1 1 23 ALA CA C 2.550 6.190 0.130 1.00 . A A . 22 ALA CA 1 1 18 9531 1 1 23 ALA CB C 3.342 7.026 -0.862 1.00 . A A . 22 ALA CB 1 1 18 9532 1 1 23 ALA H H 4.349 5.144 0.486 1.00 . A A . 22 ALA H 1 1 18 9533 1 1 23 ALA HA H 2.123 6.850 0.868 1.00 . A A . 22 ALA HA 1 1 18 9534 1 1 23 ALA HB1 H 4.095 7.591 -0.334 1.00 . A A . 22 ALA HB1 1 1 18 9535 1 1 23 ALA HB2 H 2.677 7.704 -1.376 1.00 . A A . 22 ALA HB2 1 1 18 9536 1 1 23 ALA HB3 H 3.820 6.374 -1.579 1.00 . A A . 22 ALA HB3 1 1 18 9537 1 1 23 ALA N N 3.432 5.259 0.815 1.00 . A A . 22 ALA N 1 1 18 9538 1 1 23 ALA O O 0.290 5.913 -0.646 1.00 . A A . 22 ALA O 1 1 18 9539 1 1 24 ASP C C -0.095 2.697 -0.796 1.00 . A A . 23 ASP C 1 1 18 9540 1 1 24 ASP CA C 0.779 3.449 -1.798 1.00 . A A . 23 ASP CA 1 1 18 9541 1 1 24 ASP CB C 1.486 2.470 -2.736 1.00 . A A . 23 ASP CB 1 1 18 9542 1 1 24 ASP CG C 0.516 1.699 -3.602 1.00 . A A . 23 ASP CG 1 1 18 9543 1 1 24 ASP H H 2.682 3.956 -1.018 1.00 . A A . 23 ASP H 1 1 18 9544 1 1 24 ASP HA H 0.152 4.105 -2.380 1.00 . A A . 23 ASP HA 1 1 18 9545 1 1 24 ASP HB2 H 2.155 3.019 -3.384 1.00 . A A . 23 ASP HB2 1 1 18 9546 1 1 24 ASP HB3 H 2.055 1.762 -2.148 1.00 . A A . 23 ASP HB3 1 1 18 9547 1 1 24 ASP N N 1.755 4.273 -1.100 1.00 . A A . 23 ASP N 1 1 18 9548 1 1 24 ASP O O -1.271 2.430 -1.046 1.00 . A A . 23 ASP O 1 1 18 9549 1 1 24 ASP OD1 O 0.396 0.471 -3.423 1.00 . A A . 23 ASP OD1 1 1 18 9550 1 1 24 ASP OD2 O -0.128 2.319 -4.476 1.00 . A A . 23 ASP OD2 1 1 18 9551 1 1 25 LEU C C -1.245 2.759 1.996 1.00 . A A . 24 LEU C 1 1 18 9552 1 1 25 LEU CA C -0.232 1.756 1.447 1.00 . A A . 24 LEU CA 1 1 18 9553 1 1 25 LEU CB C 0.764 1.291 2.531 1.00 . A A . 24 LEU CB 1 1 18 9554 1 1 25 LEU CD1 C -0.440 1.356 4.738 1.00 . A A . 24 LEU CD1 1 1 18 9555 1 1 25 LEU CD2 C -0.821 -0.550 3.184 1.00 . A A . 24 LEU CD2 1 1 18 9556 1 1 25 LEU CG C 0.193 0.461 3.690 1.00 . A A . 24 LEU CG 1 1 18 9557 1 1 25 LEU H H 1.464 2.518 0.437 1.00 . A A . 24 LEU H 1 1 18 9558 1 1 25 LEU HA H -0.769 0.900 1.063 1.00 . A A . 24 LEU HA 1 1 18 9559 1 1 25 LEU HB2 H 1.532 0.700 2.052 1.00 . A A . 24 LEU HB2 1 1 18 9560 1 1 25 LEU HB3 H 1.227 2.170 2.950 1.00 . A A . 24 LEU HB3 1 1 18 9561 1 1 25 LEU HD11 H -0.841 0.749 5.536 1.00 . A A . 24 LEU HD11 1 1 18 9562 1 1 25 LEU HD12 H -1.237 1.927 4.283 1.00 . A A . 24 LEU HD12 1 1 18 9563 1 1 25 LEU HD13 H 0.305 2.029 5.133 1.00 . A A . 24 LEU HD13 1 1 18 9564 1 1 25 LEU HD21 H -0.351 -1.203 2.465 1.00 . A A . 24 LEU HD21 1 1 18 9565 1 1 25 LEU HD22 H -1.641 -0.029 2.716 1.00 . A A . 24 LEU HD22 1 1 18 9566 1 1 25 LEU HD23 H -1.191 -1.133 4.012 1.00 . A A . 24 LEU HD23 1 1 18 9567 1 1 25 LEU HG H 0.998 -0.082 4.162 1.00 . A A . 24 LEU HG 1 1 18 9568 1 1 25 LEU N N 0.497 2.361 0.341 1.00 . A A . 24 LEU N 1 1 18 9569 1 1 25 LEU O O -2.356 2.393 2.377 1.00 . A A . 24 LEU O 1 1 18 9570 1 1 26 ALA C C -2.958 5.159 1.463 1.00 . A A . 25 ALA C 1 1 18 9571 1 1 26 ALA CA C -1.762 5.099 2.410 1.00 . A A . 25 ALA CA 1 1 18 9572 1 1 26 ALA CB C -1.026 6.426 2.421 1.00 . A A . 25 ALA CB 1 1 18 9573 1 1 26 ALA H H 0.066 4.252 1.767 1.00 . A A . 25 ALA H 1 1 18 9574 1 1 26 ALA HA H -2.110 4.895 3.410 1.00 . A A . 25 ALA HA 1 1 18 9575 1 1 26 ALA HB1 H -1.690 7.203 2.768 1.00 . A A . 25 ALA HB1 1 1 18 9576 1 1 26 ALA HB2 H -0.692 6.656 1.420 1.00 . A A . 25 ALA HB2 1 1 18 9577 1 1 26 ALA HB3 H -0.174 6.356 3.078 1.00 . A A . 25 ALA HB3 1 1 18 9578 1 1 26 ALA N N -0.859 4.029 2.014 1.00 . A A . 25 ALA N 1 1 18 9579 1 1 26 ALA O O -4.094 5.386 1.885 1.00 . A A . 25 ALA O 1 1 18 9580 1 1 27 LYS C C -4.672 3.708 -0.543 1.00 . A A . 26 LYS C 1 1 18 9581 1 1 27 LYS CA C -3.730 4.873 -0.832 1.00 . A A . 26 LYS CA 1 1 18 9582 1 1 27 LYS CB C -3.101 4.718 -2.221 1.00 . A A . 26 LYS CB 1 1 18 9583 1 1 27 LYS CD C -5.021 5.756 -3.474 1.00 . A A . 26 LYS CD 1 1 18 9584 1 1 27 LYS CE C -6.022 5.566 -4.599 1.00 . A A . 26 LYS CE 1 1 18 9585 1 1 27 LYS CG C -4.109 4.550 -3.346 1.00 . A A . 26 LYS CG 1 1 18 9586 1 1 27 LYS H H -1.750 4.837 -0.090 1.00 . A A . 26 LYS H 1 1 18 9587 1 1 27 LYS HA H -4.291 5.793 -0.797 1.00 . A A . 26 LYS HA 1 1 18 9588 1 1 27 LYS HB2 H -2.505 5.590 -2.430 1.00 . A A . 26 LYS HB2 1 1 18 9589 1 1 27 LYS HB3 H -2.459 3.850 -2.215 1.00 . A A . 26 LYS HB3 1 1 18 9590 1 1 27 LYS HD2 H -5.558 5.892 -2.546 1.00 . A A . 26 LYS HD2 1 1 18 9591 1 1 27 LYS HD3 H -4.423 6.631 -3.677 1.00 . A A . 26 LYS HD3 1 1 18 9592 1 1 27 LYS HE2 H -5.481 5.424 -5.523 1.00 . A A . 26 LYS HE2 1 1 18 9593 1 1 27 LYS HE3 H -6.613 4.688 -4.389 1.00 . A A . 26 LYS HE3 1 1 18 9594 1 1 27 LYS HG2 H -3.575 4.417 -4.275 1.00 . A A . 26 LYS HG2 1 1 18 9595 1 1 27 LYS HG3 H -4.710 3.675 -3.147 1.00 . A A . 26 LYS HG3 1 1 18 9596 1 1 27 LYS HZ1 H -7.573 6.588 -5.545 1.00 . A A . 26 LYS HZ1 1 1 18 9597 1 1 27 LYS HZ2 H -6.374 7.597 -4.916 1.00 . A A . 26 LYS HZ2 1 1 18 9598 1 1 27 LYS HZ3 H -7.490 6.862 -3.879 1.00 . A A . 26 LYS HZ3 1 1 18 9599 1 1 27 LYS N N -2.685 4.944 0.182 1.00 . A A . 26 LYS N 1 1 18 9600 1 1 27 LYS NZ N -6.927 6.734 -4.745 1.00 . A A . 26 LYS NZ 1 1 18 9601 1 1 27 LYS O O -5.892 3.836 -0.665 1.00 . A A . 26 LYS O 1 1 18 9602 1 1 28 TYR C C -5.789 1.737 1.409 1.00 . A A . 27 TYR C 1 1 18 9603 1 1 28 TYR CA C -4.876 1.409 0.233 1.00 . A A . 27 TYR CA 1 1 18 9604 1 1 28 TYR CB C -3.947 0.240 0.587 1.00 . A A . 27 TYR CB 1 1 18 9605 1 1 28 TYR CD1 C -5.285 -1.893 0.337 1.00 . A A . 27 TYR CD1 1 1 18 9606 1 1 28 TYR CD2 C -4.704 -1.181 2.537 1.00 . A A . 27 TYR CD2 1 1 18 9607 1 1 28 TYR CE1 C -5.931 -2.995 0.861 1.00 . A A . 27 TYR CE1 1 1 18 9608 1 1 28 TYR CE2 C -5.349 -2.282 3.066 1.00 . A A . 27 TYR CE2 1 1 18 9609 1 1 28 TYR CG C -4.660 -0.966 1.166 1.00 . A A . 27 TYR CG 1 1 18 9610 1 1 28 TYR CZ C -5.978 -3.171 2.235 1.00 . A A . 27 TYR CZ 1 1 18 9611 1 1 28 TYR H H -3.116 2.540 -0.093 1.00 . A A . 27 TYR H 1 1 18 9612 1 1 28 TYR HA H -5.488 1.133 -0.614 1.00 . A A . 27 TYR HA 1 1 18 9613 1 1 28 TYR HB2 H -3.428 -0.083 -0.303 1.00 . A A . 27 TYR HB2 1 1 18 9614 1 1 28 TYR HB3 H -3.225 0.577 1.311 1.00 . A A . 27 TYR HB3 1 1 18 9615 1 1 28 TYR HD1 H -5.262 -1.742 -0.732 1.00 . A A . 27 TYR HD1 1 1 18 9616 1 1 28 TYR HD2 H -4.224 -0.473 3.197 1.00 . A A . 27 TYR HD2 1 1 18 9617 1 1 28 TYR HE1 H -6.411 -3.702 0.200 1.00 . A A . 27 TYR HE1 1 1 18 9618 1 1 28 TYR HE2 H -5.375 -2.429 4.136 1.00 . A A . 27 TYR HE2 1 1 18 9619 1 1 28 TYR HH H -7.046 -4.040 3.565 1.00 . A A . 27 TYR HH 1 1 18 9620 1 1 28 TYR N N -4.096 2.583 -0.139 1.00 . A A . 27 TYR N 1 1 18 9621 1 1 28 TYR O O -6.941 1.313 1.443 1.00 . A A . 27 TYR O 1 1 18 9622 1 1 28 TYR OH O -6.597 -4.288 2.750 1.00 . A A . 27 TYR OH 1 1 18 9623 1 1 29 GLN C C -7.252 3.742 3.117 1.00 . A A . 28 GLN C 1 1 18 9624 1 1 29 GLN CA C -6.042 2.916 3.529 1.00 . A A . 28 GLN CA 1 1 18 9625 1 1 29 GLN CB C -5.194 3.742 4.499 1.00 . A A . 28 GLN CB 1 1 18 9626 1 1 29 GLN CD C -3.325 3.823 6.184 1.00 . A A . 28 GLN CD 1 1 18 9627 1 1 29 GLN CG C -4.033 2.990 5.132 1.00 . A A . 28 GLN CG 1 1 18 9628 1 1 29 GLN H H -4.340 2.809 2.272 1.00 . A A . 28 GLN H 1 1 18 9629 1 1 29 GLN HA H -6.380 2.022 4.028 1.00 . A A . 28 GLN HA 1 1 18 9630 1 1 29 GLN HB2 H -4.792 4.593 3.966 1.00 . A A . 28 GLN HB2 1 1 18 9631 1 1 29 GLN HB3 H -5.835 4.104 5.290 1.00 . A A . 28 GLN HB3 1 1 18 9632 1 1 29 GLN HE21 H -1.596 2.946 5.765 1.00 . A A . 28 GLN HE21 1 1 18 9633 1 1 29 GLN HE22 H -1.543 4.147 7.003 1.00 . A A . 28 GLN HE22 1 1 18 9634 1 1 29 GLN HG2 H -4.411 2.090 5.601 1.00 . A A . 28 GLN HG2 1 1 18 9635 1 1 29 GLN HG3 H -3.322 2.724 4.362 1.00 . A A . 28 GLN HG3 1 1 18 9636 1 1 29 GLN N N -5.268 2.510 2.360 1.00 . A A . 28 GLN N 1 1 18 9637 1 1 29 GLN NE2 N -2.026 3.618 6.332 1.00 . A A . 28 GLN NE2 1 1 18 9638 1 1 29 GLN O O -8.336 3.588 3.671 1.00 . A A . 28 GLN O 1 1 18 9639 1 1 29 GLN OE1 O -3.941 4.651 6.856 1.00 . A A . 28 GLN OE1 1 1 18 9640 1 1 30 LYS C C -9.261 4.690 1.081 1.00 . A A . 29 LYS C 1 1 18 9641 1 1 30 LYS CA C -8.113 5.498 1.677 1.00 . A A . 29 LYS CA 1 1 18 9642 1 1 30 LYS CB C -7.555 6.491 0.654 1.00 . A A . 29 LYS CB 1 1 18 9643 1 1 30 LYS CD C -7.854 8.625 -0.622 1.00 . A A . 29 LYS CD 1 1 18 9644 1 1 30 LYS CE C -8.808 9.744 -1.006 1.00 . A A . 29 LYS CE 1 1 18 9645 1 1 30 LYS CG C -8.524 7.598 0.277 1.00 . A A . 29 LYS CG 1 1 18 9646 1 1 30 LYS H H -6.173 4.665 1.717 1.00 . A A . 29 LYS H 1 1 18 9647 1 1 30 LYS HA H -8.482 6.044 2.530 1.00 . A A . 29 LYS HA 1 1 18 9648 1 1 30 LYS HB2 H -6.668 6.946 1.066 1.00 . A A . 29 LYS HB2 1 1 18 9649 1 1 30 LYS HB3 H -7.289 5.953 -0.244 1.00 . A A . 29 LYS HB3 1 1 18 9650 1 1 30 LYS HD2 H -7.012 9.050 -0.099 1.00 . A A . 29 LYS HD2 1 1 18 9651 1 1 30 LYS HD3 H -7.511 8.133 -1.520 1.00 . A A . 29 LYS HD3 1 1 18 9652 1 1 30 LYS HE2 H -8.287 10.437 -1.649 1.00 . A A . 29 LYS HE2 1 1 18 9653 1 1 30 LYS HE3 H -9.640 9.315 -1.543 1.00 . A A . 29 LYS HE3 1 1 18 9654 1 1 30 LYS HG2 H -9.365 7.168 -0.246 1.00 . A A . 29 LYS HG2 1 1 18 9655 1 1 30 LYS HG3 H -8.866 8.089 1.176 1.00 . A A . 29 LYS HG3 1 1 18 9656 1 1 30 LYS HZ1 H -8.532 10.854 0.742 1.00 . A A . 29 LYS HZ1 1 1 18 9657 1 1 30 LYS HZ2 H -9.888 9.847 0.777 1.00 . A A . 29 LYS HZ2 1 1 18 9658 1 1 30 LYS HZ3 H -9.920 11.274 -0.125 1.00 . A A . 29 LYS HZ3 1 1 18 9659 1 1 30 LYS N N -7.055 4.616 2.140 1.00 . A A . 29 LYS N 1 1 18 9660 1 1 30 LYS NZ N -9.322 10.480 0.179 1.00 . A A . 29 LYS NZ 1 1 18 9661 1 1 30 LYS O O -10.426 4.893 1.430 1.00 . A A . 29 LYS O 1 1 18 9662 1 1 31 ASP C C -10.514 1.960 0.704 1.00 . A A . 30 ASP C 1 1 18 9663 1 1 31 ASP CA C -9.919 2.858 -0.375 1.00 . A A . 30 ASP CA 1 1 18 9664 1 1 31 ASP CB C -9.314 1.994 -1.482 1.00 . A A . 30 ASP CB 1 1 18 9665 1 1 31 ASP CG C -9.234 2.705 -2.818 1.00 . A A . 30 ASP CG 1 1 18 9666 1 1 31 ASP H H -7.985 3.675 -0.075 1.00 . A A . 30 ASP H 1 1 18 9667 1 1 31 ASP HA H -10.708 3.464 -0.793 1.00 . A A . 30 ASP HA 1 1 18 9668 1 1 31 ASP HB2 H -8.314 1.699 -1.195 1.00 . A A . 30 ASP HB2 1 1 18 9669 1 1 31 ASP HB3 H -9.925 1.112 -1.603 1.00 . A A . 30 ASP HB3 1 1 18 9670 1 1 31 ASP N N -8.924 3.758 0.198 1.00 . A A . 30 ASP N 1 1 18 9671 1 1 31 ASP O O -11.695 1.616 0.659 1.00 . A A . 30 ASP O 1 1 18 9672 1 1 31 ASP OD1 O -8.190 3.322 -3.115 1.00 . A A . 30 ASP OD1 1 1 18 9673 1 1 31 ASP OD2 O -10.213 2.629 -3.591 1.00 . A A . 30 ASP OD2 1 1 18 9674 1 1 32 LEU C C -11.133 1.453 3.640 1.00 . A A . 31 LEU C 1 1 18 9675 1 1 32 LEU CA C -10.099 0.736 2.777 1.00 . A A . 31 LEU CA 1 1 18 9676 1 1 32 LEU CB C -8.881 0.347 3.618 1.00 . A A . 31 LEU CB 1 1 18 9677 1 1 32 LEU CD1 C -9.724 -1.907 4.341 1.00 . A A . 31 LEU CD1 1 1 18 9678 1 1 32 LEU CD2 C -7.870 -0.797 5.589 1.00 . A A . 31 LEU CD2 1 1 18 9679 1 1 32 LEU CG C -9.150 -0.577 4.805 1.00 . A A . 31 LEU CG 1 1 18 9680 1 1 32 LEU H H -8.744 1.875 1.622 1.00 . A A . 31 LEU H 1 1 18 9681 1 1 32 LEU HA H -10.547 -0.154 2.368 1.00 . A A . 31 LEU HA 1 1 18 9682 1 1 32 LEU HB2 H -8.165 -0.137 2.969 1.00 . A A . 31 LEU HB2 1 1 18 9683 1 1 32 LEU HB3 H -8.433 1.254 3.997 1.00 . A A . 31 LEU HB3 1 1 18 9684 1 1 32 LEU HD11 H -10.687 -1.744 3.881 1.00 . A A . 31 LEU HD11 1 1 18 9685 1 1 32 LEU HD12 H -9.838 -2.563 5.190 1.00 . A A . 31 LEU HD12 1 1 18 9686 1 1 32 LEU HD13 H -9.053 -2.357 3.625 1.00 . A A . 31 LEU HD13 1 1 18 9687 1 1 32 LEU HD21 H -7.524 0.147 5.983 1.00 . A A . 31 LEU HD21 1 1 18 9688 1 1 32 LEU HD22 H -7.117 -1.210 4.936 1.00 . A A . 31 LEU HD22 1 1 18 9689 1 1 32 LEU HD23 H -8.058 -1.482 6.403 1.00 . A A . 31 LEU HD23 1 1 18 9690 1 1 32 LEU HG H -9.871 -0.111 5.462 1.00 . A A . 31 LEU HG 1 1 18 9691 1 1 32 LEU N N -9.680 1.579 1.665 1.00 . A A . 31 LEU N 1 1 18 9692 1 1 32 LEU O O -12.109 0.852 4.085 1.00 . A A . 31 LEU O 1 1 18 9693 1 1 33 ALA C C -13.177 3.643 3.892 1.00 . A A . 32 ALA C 1 1 18 9694 1 1 33 ALA CA C -11.840 3.567 4.611 1.00 . A A . 32 ALA CA 1 1 18 9695 1 1 33 ALA CB C -11.268 4.960 4.798 1.00 . A A . 32 ALA CB 1 1 18 9696 1 1 33 ALA H H -10.078 3.144 3.529 1.00 . A A . 32 ALA H 1 1 18 9697 1 1 33 ALA HA H -11.983 3.125 5.584 1.00 . A A . 32 ALA HA 1 1 18 9698 1 1 33 ALA HB1 H -11.954 5.557 5.379 1.00 . A A . 32 ALA HB1 1 1 18 9699 1 1 33 ALA HB2 H -11.122 5.416 3.830 1.00 . A A . 32 ALA HB2 1 1 18 9700 1 1 33 ALA HB3 H -10.321 4.894 5.311 1.00 . A A . 32 ALA HB3 1 1 18 9701 1 1 33 ALA N N -10.907 2.739 3.866 1.00 . A A . 32 ALA N 1 1 18 9702 1 1 33 ALA O O -14.241 3.552 4.509 1.00 . A A . 32 ALA O 1 1 18 9703 1 1 34 ASP C C -15.014 2.515 1.706 1.00 . A A . 33 ASP C 1 1 18 9704 1 1 34 ASP CA C -14.297 3.863 1.741 1.00 . A A . 33 ASP CA 1 1 18 9705 1 1 34 ASP CB C -13.917 4.287 0.320 1.00 . A A . 33 ASP CB 1 1 18 9706 1 1 34 ASP CG C -15.105 4.312 -0.620 1.00 . A A . 33 ASP CG 1 1 18 9707 1 1 34 ASP H H -12.222 3.882 2.159 1.00 . A A . 33 ASP H 1 1 18 9708 1 1 34 ASP HA H -14.959 4.601 2.166 1.00 . A A . 33 ASP HA 1 1 18 9709 1 1 34 ASP HB2 H -13.484 5.276 0.349 1.00 . A A . 33 ASP HB2 1 1 18 9710 1 1 34 ASP HB3 H -13.187 3.594 -0.071 1.00 . A A . 33 ASP HB3 1 1 18 9711 1 1 34 ASP N N -13.106 3.798 2.579 1.00 . A A . 33 ASP N 1 1 18 9712 1 1 34 ASP O O -16.240 2.447 1.593 1.00 . A A . 33 ASP O 1 1 18 9713 1 1 34 ASP OD1 O -15.292 3.329 -1.372 1.00 . A A . 33 ASP OD1 1 1 18 9714 1 1 34 ASP OD2 O -15.851 5.312 -0.616 1.00 . A A . 33 ASP OD2 1 1 18 9715 1 1 35 TYR C C -15.462 -0.245 3.090 1.00 . A A . 34 TYR C 1 1 18 9716 1 1 35 TYR CA C -14.767 0.093 1.777 1.00 . A A . 34 TYR CA 1 1 18 9717 1 1 35 TYR CB C -13.636 -0.900 1.498 1.00 . A A . 34 TYR CB 1 1 18 9718 1 1 35 TYR CD1 C -14.903 -2.786 0.408 1.00 . A A . 34 TYR CD1 1 1 18 9719 1 1 35 TYR CD2 C -13.659 -3.262 2.380 1.00 . A A . 34 TYR CD2 1 1 18 9720 1 1 35 TYR CE1 C -15.310 -4.102 0.339 1.00 . A A . 34 TYR CE1 1 1 18 9721 1 1 35 TYR CE2 C -14.060 -4.581 2.320 1.00 . A A . 34 TYR CE2 1 1 18 9722 1 1 35 TYR CG C -14.072 -2.344 1.428 1.00 . A A . 34 TYR CG 1 1 18 9723 1 1 35 TYR CZ C -14.864 -5.003 1.302 1.00 . A A . 34 TYR CZ 1 1 18 9724 1 1 35 TYR H H -13.271 1.574 1.938 1.00 . A A . 34 TYR H 1 1 18 9725 1 1 35 TYR HA H -15.488 0.040 0.977 1.00 . A A . 34 TYR HA 1 1 18 9726 1 1 35 TYR HB2 H -13.176 -0.652 0.554 1.00 . A A . 34 TYR HB2 1 1 18 9727 1 1 35 TYR HB3 H -12.898 -0.816 2.281 1.00 . A A . 34 TYR HB3 1 1 18 9728 1 1 35 TYR HD1 H -15.235 -2.083 -0.340 1.00 . A A . 34 TYR HD1 1 1 18 9729 1 1 35 TYR HD2 H -13.013 -2.934 3.181 1.00 . A A . 34 TYR HD2 1 1 18 9730 1 1 35 TYR HE1 H -15.956 -4.424 -0.462 1.00 . A A . 34 TYR HE1 1 1 18 9731 1 1 35 TYR HE2 H -13.729 -5.278 3.072 1.00 . A A . 34 TYR HE2 1 1 18 9732 1 1 35 TYR HH H -15.232 -6.616 0.319 1.00 . A A . 34 TYR HH 1 1 18 9733 1 1 35 TYR N N -14.236 1.447 1.817 1.00 . A A . 34 TYR N 1 1 18 9734 1 1 35 TYR O O -14.822 -0.370 4.134 1.00 . A A . 34 TYR O 1 1 18 9735 1 1 35 TYR OH O -15.290 -6.311 1.233 1.00 . A A . 34 TYR OH 1 1 18 9736 1 1 36 NH2 HN1 H -17.217 -0.262 2.172 1.00 . A A . 35 NH2 HN1 1 1 18 9737 1 1 36 NH2 HN2 H -17.252 -0.598 3.864 1.00 . A A . 35 NH2 HN2 1 1 18 9738 1 1 36 NH2 N N -16.775 -0.383 3.037 1.00 . A A . 35 NH2 N 1 1 19 9739 1 1 1 ACE C C -13.699 -3.939 -3.677 1.00 . A A . 0 ACE C 1 1 19 9740 1 1 1 ACE CH3 C -14.221 -2.583 -3.294 1.00 . A A . 0 ACE CH3 1 1 19 9741 1 1 1 ACE H1 H -14.991 -2.707 -2.539 1.00 . A A . 0 ACE H1 1 1 19 9742 1 1 1 ACE H2 H -14.644 -2.105 -4.158 1.00 . A A . 0 ACE H2 1 1 19 9743 1 1 1 ACE H3 H -13.398 -1.986 -2.917 1.00 . A A . 0 ACE H3 1 1 19 9744 1 1 1 ACE O O -13.569 -4.253 -4.862 1.00 . A A . 0 ACE O 1 1 19 9745 1 1 2 PRO C C -11.014 -4.183 -2.307 1.00 . A A . 1 PRO C 1 1 19 9746 1 1 2 PRO CA C -12.371 -4.480 -1.672 1.00 . A A . 1 PRO CA 1 1 19 9747 1 1 2 PRO CB C -12.299 -5.762 -0.828 1.00 . A A . 1 PRO CB 1 1 19 9748 1 1 2 PRO CD C -14.012 -6.094 -2.468 1.00 . A A . 1 PRO CD 1 1 19 9749 1 1 2 PRO CG C -12.999 -6.814 -1.622 1.00 . A A . 1 PRO CG 1 1 19 9750 1 1 2 PRO HA H -12.667 -3.651 -1.047 1.00 . A A . 1 PRO HA 1 1 19 9751 1 1 2 PRO HB2 H -11.264 -6.032 -0.660 1.00 . A A . 1 PRO HB2 1 1 19 9752 1 1 2 PRO HB3 H -12.803 -5.616 0.113 1.00 . A A . 1 PRO HB3 1 1 19 9753 1 1 2 PRO HD2 H -14.160 -6.608 -3.407 1.00 . A A . 1 PRO HD2 1 1 19 9754 1 1 2 PRO HD3 H -14.950 -5.996 -1.939 1.00 . A A . 1 PRO HD3 1 1 19 9755 1 1 2 PRO HG2 H -12.283 -7.335 -2.244 1.00 . A A . 1 PRO HG2 1 1 19 9756 1 1 2 PRO HG3 H -13.494 -7.504 -0.956 1.00 . A A . 1 PRO HG3 1 1 19 9757 1 1 2 PRO N N -13.391 -4.780 -2.681 1.00 . A A . 1 PRO N 1 1 19 9758 1 1 2 PRO O O -10.606 -4.856 -3.256 1.00 . A A . 1 PRO O 1 1 19 9759 1 1 3 PRO C C -7.960 -3.867 -2.290 1.00 . A A . 2 PRO C 1 1 19 9760 1 1 3 PRO CA C -9.005 -2.757 -2.351 1.00 . A A . 2 PRO CA 1 1 19 9761 1 1 3 PRO CB C -8.580 -1.577 -1.469 1.00 . A A . 2 PRO CB 1 1 19 9762 1 1 3 PRO CD C -10.695 -2.332 -0.648 1.00 . A A . 2 PRO CD 1 1 19 9763 1 1 3 PRO CG C -9.404 -1.681 -0.233 1.00 . A A . 2 PRO CG 1 1 19 9764 1 1 3 PRO HA H -9.107 -2.424 -3.372 1.00 . A A . 2 PRO HA 1 1 19 9765 1 1 3 PRO HB2 H -7.524 -1.656 -1.237 1.00 . A A . 2 PRO HB2 1 1 19 9766 1 1 3 PRO HB3 H -8.785 -0.645 -1.974 1.00 . A A . 2 PRO HB3 1 1 19 9767 1 1 3 PRO HD2 H -11.088 -2.939 0.155 1.00 . A A . 2 PRO HD2 1 1 19 9768 1 1 3 PRO HD3 H -11.417 -1.587 -0.947 1.00 . A A . 2 PRO HD3 1 1 19 9769 1 1 3 PRO HG2 H -8.889 -2.288 0.501 1.00 . A A . 2 PRO HG2 1 1 19 9770 1 1 3 PRO HG3 H -9.597 -0.697 0.161 1.00 . A A . 2 PRO HG3 1 1 19 9771 1 1 3 PRO N N -10.300 -3.166 -1.796 1.00 . A A . 2 PRO N 1 1 19 9772 1 1 3 PRO O O -7.931 -4.663 -1.349 1.00 . A A . 2 PRO O 1 1 19 9773 1 1 4 THR C C -4.824 -4.351 -2.594 1.00 . A A . 3 THR C 1 1 19 9774 1 1 4 THR CA C -6.034 -4.885 -3.352 1.00 . A A . 3 THR CA 1 1 19 9775 1 1 4 THR CB C -5.642 -5.186 -4.809 1.00 . A A . 3 THR CB 1 1 19 9776 1 1 4 THR CG2 C -4.611 -6.300 -4.882 1.00 . A A . 3 THR CG2 1 1 19 9777 1 1 4 THR H H -7.209 -3.280 -4.042 1.00 . A A . 3 THR H 1 1 19 9778 1 1 4 THR HA H -6.370 -5.799 -2.888 1.00 . A A . 3 THR HA 1 1 19 9779 1 1 4 THR HB H -5.220 -4.294 -5.243 1.00 . A A . 3 THR HB 1 1 19 9780 1 1 4 THR HG1 H -7.585 -5.129 -5.171 1.00 . A A . 3 THR HG1 1 1 19 9781 1 1 4 THR HG21 H -3.741 -6.021 -4.306 1.00 . A A . 3 THR HG21 1 1 19 9782 1 1 4 THR HG22 H -4.327 -6.460 -5.911 1.00 . A A . 3 THR HG22 1 1 19 9783 1 1 4 THR HG23 H -5.034 -7.208 -4.478 1.00 . A A . 3 THR HG23 1 1 19 9784 1 1 4 THR N N -7.111 -3.917 -3.304 1.00 . A A . 3 THR N 1 1 19 9785 1 1 4 THR O O -4.490 -3.170 -2.705 1.00 . A A . 3 THR O 1 1 19 9786 1 1 4 THR OG1 O -6.810 -5.561 -5.552 1.00 . A A . 3 THR OG1 1 1 19 9787 1 1 5 LYS C C -1.830 -4.580 -1.966 1.00 . A A . 4 LYS C 1 1 19 9788 1 1 5 LYS CA C -3.021 -4.819 -1.042 1.00 . A A . 4 LYS CA 1 1 19 9789 1 1 5 LYS CB C -2.687 -5.899 -0.012 1.00 . A A . 4 LYS CB 1 1 19 9790 1 1 5 LYS CD C -3.405 -7.188 2.015 1.00 . A A . 4 LYS CD 1 1 19 9791 1 1 5 LYS CE C -4.542 -7.487 2.977 1.00 . A A . 4 LYS CE 1 1 19 9792 1 1 5 LYS CG C -3.803 -6.149 0.986 1.00 . A A . 4 LYS CG 1 1 19 9793 1 1 5 LYS H H -4.502 -6.139 -1.770 1.00 . A A . 4 LYS H 1 1 19 9794 1 1 5 LYS HA H -3.259 -3.900 -0.527 1.00 . A A . 4 LYS HA 1 1 19 9795 1 1 5 LYS HB2 H -2.486 -6.825 -0.533 1.00 . A A . 4 LYS HB2 1 1 19 9796 1 1 5 LYS HB3 H -1.802 -5.600 0.536 1.00 . A A . 4 LYS HB3 1 1 19 9797 1 1 5 LYS HD2 H -3.127 -8.098 1.505 1.00 . A A . 4 LYS HD2 1 1 19 9798 1 1 5 LYS HD3 H -2.561 -6.814 2.576 1.00 . A A . 4 LYS HD3 1 1 19 9799 1 1 5 LYS HE2 H -4.843 -6.568 3.457 1.00 . A A . 4 LYS HE2 1 1 19 9800 1 1 5 LYS HE3 H -5.373 -7.889 2.417 1.00 . A A . 4 LYS HE3 1 1 19 9801 1 1 5 LYS HG2 H -4.034 -5.226 1.496 1.00 . A A . 4 LYS HG2 1 1 19 9802 1 1 5 LYS HG3 H -4.677 -6.496 0.454 1.00 . A A . 4 LYS HG3 1 1 19 9803 1 1 5 LYS HZ1 H -3.352 -8.087 4.584 1.00 . A A . 4 LYS HZ1 1 1 19 9804 1 1 5 LYS HZ2 H -3.829 -9.356 3.575 1.00 . A A . 4 LYS HZ2 1 1 19 9805 1 1 5 LYS HZ3 H -4.938 -8.670 4.650 1.00 . A A . 4 LYS HZ3 1 1 19 9806 1 1 5 LYS N N -4.188 -5.211 -1.816 1.00 . A A . 4 LYS N 1 1 19 9807 1 1 5 LYS NZ N -4.139 -8.468 4.019 1.00 . A A . 4 LYS NZ 1 1 19 9808 1 1 5 LYS O O -1.711 -5.232 -3.005 1.00 . A A . 4 LYS O 1 1 19 9809 1 1 6 PRO C C 1.071 -4.513 -2.776 1.00 . A A . 5 PRO C 1 1 19 9810 1 1 6 PRO CA C 0.225 -3.293 -2.425 1.00 . A A . 5 PRO CA 1 1 19 9811 1 1 6 PRO CB C 1.029 -2.330 -1.543 1.00 . A A . 5 PRO CB 1 1 19 9812 1 1 6 PRO CD C -1.027 -2.787 -0.410 1.00 . A A . 5 PRO CD 1 1 19 9813 1 1 6 PRO CG C 0.409 -2.399 -0.190 1.00 . A A . 5 PRO CG 1 1 19 9814 1 1 6 PRO HA H -0.060 -2.792 -3.336 1.00 . A A . 5 PRO HA 1 1 19 9815 1 1 6 PRO HB2 H 2.064 -2.646 -1.511 1.00 . A A . 5 PRO HB2 1 1 19 9816 1 1 6 PRO HB3 H 0.955 -1.325 -1.933 1.00 . A A . 5 PRO HB3 1 1 19 9817 1 1 6 PRO HD2 H -1.405 -3.349 0.434 1.00 . A A . 5 PRO HD2 1 1 19 9818 1 1 6 PRO HD3 H -1.635 -1.910 -0.590 1.00 . A A . 5 PRO HD3 1 1 19 9819 1 1 6 PRO HG2 H 0.919 -3.148 0.408 1.00 . A A . 5 PRO HG2 1 1 19 9820 1 1 6 PRO HG3 H 0.464 -1.432 0.288 1.00 . A A . 5 PRO HG3 1 1 19 9821 1 1 6 PRO N N -0.949 -3.628 -1.614 1.00 . A A . 5 PRO N 1 1 19 9822 1 1 6 PRO O O 1.396 -5.334 -1.918 1.00 . A A . 5 PRO O 1 1 19 9823 1 1 7 THR C C 3.719 -5.395 -4.255 1.00 . A A . 6 THR C 1 1 19 9824 1 1 7 THR CA C 2.250 -5.696 -4.541 1.00 . A A . 6 THR CA 1 1 19 9825 1 1 7 THR CB C 2.044 -5.877 -6.052 1.00 . A A . 6 THR CB 1 1 19 9826 1 1 7 THR CG2 C 2.625 -7.197 -6.534 1.00 . A A . 6 THR CG2 1 1 19 9827 1 1 7 THR H H 1.082 -3.951 -4.683 1.00 . A A . 6 THR H 1 1 19 9828 1 1 7 THR HA H 1.966 -6.606 -4.042 1.00 . A A . 6 THR HA 1 1 19 9829 1 1 7 THR HB H 2.541 -5.069 -6.565 1.00 . A A . 6 THR HB 1 1 19 9830 1 1 7 THR HG1 H 0.172 -6.419 -5.740 1.00 . A A . 6 THR HG1 1 1 19 9831 1 1 7 THR HG21 H 2.452 -7.301 -7.595 1.00 . A A . 6 THR HG21 1 1 19 9832 1 1 7 THR HG22 H 2.152 -8.011 -6.008 1.00 . A A . 6 THR HG22 1 1 19 9833 1 1 7 THR HG23 H 3.687 -7.213 -6.341 1.00 . A A . 6 THR HG23 1 1 19 9834 1 1 7 THR N N 1.411 -4.619 -4.048 1.00 . A A . 6 THR N 1 1 19 9835 1 1 7 THR O O 4.559 -6.297 -4.212 1.00 . A A . 6 THR O 1 1 19 9836 1 1 7 THR OG1 O 0.643 -5.833 -6.349 1.00 . A A . 6 THR OG1 1 1 19 9837 1 1 8 LYS C C 5.882 -4.272 -2.464 1.00 . A A . 7 LYS C 1 1 19 9838 1 1 8 LYS CA C 5.363 -3.662 -3.762 1.00 . A A . 7 LYS CA 1 1 19 9839 1 1 8 LYS CB C 5.408 -2.133 -3.675 1.00 . A A . 7 LYS CB 1 1 19 9840 1 1 8 LYS CD C 5.422 0.079 -4.873 1.00 . A A . 7 LYS CD 1 1 19 9841 1 1 8 LYS CE C 4.066 0.627 -4.458 1.00 . A A . 7 LYS CE 1 1 19 9842 1 1 8 LYS CG C 5.395 -1.435 -5.030 1.00 . A A . 7 LYS CG 1 1 19 9843 1 1 8 LYS H H 3.289 -3.456 -4.099 1.00 . A A . 7 LYS H 1 1 19 9844 1 1 8 LYS HA H 5.998 -3.985 -4.570 1.00 . A A . 7 LYS HA 1 1 19 9845 1 1 8 LYS HB2 H 4.555 -1.791 -3.109 1.00 . A A . 7 LYS HB2 1 1 19 9846 1 1 8 LYS HB3 H 6.308 -1.843 -3.156 1.00 . A A . 7 LYS HB3 1 1 19 9847 1 1 8 LYS HD2 H 6.147 0.339 -4.117 1.00 . A A . 7 LYS HD2 1 1 19 9848 1 1 8 LYS HD3 H 5.707 0.525 -5.815 1.00 . A A . 7 LYS HD3 1 1 19 9849 1 1 8 LYS HE2 H 3.705 0.054 -3.618 1.00 . A A . 7 LYS HE2 1 1 19 9850 1 1 8 LYS HE3 H 4.184 1.659 -4.164 1.00 . A A . 7 LYS HE3 1 1 19 9851 1 1 8 LYS HG2 H 6.265 -1.743 -5.591 1.00 . A A . 7 LYS HG2 1 1 19 9852 1 1 8 LYS HG3 H 4.497 -1.717 -5.565 1.00 . A A . 7 LYS HG3 1 1 19 9853 1 1 8 LYS HZ1 H 3.366 1.149 -6.356 1.00 . A A . 7 LYS HZ1 1 1 19 9854 1 1 8 LYS HZ2 H 2.132 0.867 -5.227 1.00 . A A . 7 LYS HZ2 1 1 19 9855 1 1 8 LYS HZ3 H 2.985 -0.432 -5.896 1.00 . A A . 7 LYS HZ3 1 1 19 9856 1 1 8 LYS N N 4.010 -4.114 -4.054 1.00 . A A . 7 LYS N 1 1 19 9857 1 1 8 LYS NZ N 3.071 0.547 -5.561 1.00 . A A . 7 LYS NZ 1 1 19 9858 1 1 8 LYS O O 5.119 -4.483 -1.519 1.00 . A A . 7 LYS O 1 1 19 9859 1 1 9 PRO C C 7.809 -4.202 -0.036 1.00 . A A . 8 PRO C 1 1 19 9860 1 1 9 PRO CA C 7.824 -5.153 -1.228 1.00 . A A . 8 PRO CA 1 1 19 9861 1 1 9 PRO CB C 9.262 -5.413 -1.679 1.00 . A A . 8 PRO CB 1 1 19 9862 1 1 9 PRO CD C 8.139 -4.402 -3.525 1.00 . A A . 8 PRO CD 1 1 19 9863 1 1 9 PRO CG C 9.476 -4.519 -2.845 1.00 . A A . 8 PRO CG 1 1 19 9864 1 1 9 PRO HA H 7.360 -6.085 -0.946 1.00 . A A . 8 PRO HA 1 1 19 9865 1 1 9 PRO HB2 H 9.947 -5.169 -0.875 1.00 . A A . 8 PRO HB2 1 1 19 9866 1 1 9 PRO HB3 H 9.379 -6.444 -1.972 1.00 . A A . 8 PRO HB3 1 1 19 9867 1 1 9 PRO HD2 H 8.026 -3.427 -3.980 1.00 . A A . 8 PRO HD2 1 1 19 9868 1 1 9 PRO HD3 H 8.018 -5.182 -4.264 1.00 . A A . 8 PRO HD3 1 1 19 9869 1 1 9 PRO HG2 H 9.814 -3.549 -2.500 1.00 . A A . 8 PRO HG2 1 1 19 9870 1 1 9 PRO HG3 H 10.199 -4.952 -3.518 1.00 . A A . 8 PRO HG3 1 1 19 9871 1 1 9 PRO N N 7.185 -4.579 -2.416 1.00 . A A . 8 PRO N 1 1 19 9872 1 1 9 PRO O O 7.929 -2.985 -0.192 1.00 . A A . 8 PRO O 1 1 19 9873 1 1 10 GLY C C 8.274 -4.664 3.530 1.00 . A A . 9 GLY C 1 1 19 9874 1 1 10 GLY CA C 7.622 -3.968 2.356 1.00 . A A . 9 GLY CA 1 1 19 9875 1 1 10 GLY H H 7.598 -5.742 1.211 1.00 . A A . 9 GLY H 1 1 19 9876 1 1 10 GLY HA2 H 8.132 -3.034 2.176 1.00 . A A . 9 GLY HA2 1 1 19 9877 1 1 10 GLY HA3 H 6.591 -3.764 2.601 1.00 . A A . 9 GLY HA3 1 1 19 9878 1 1 10 GLY N N 7.669 -4.766 1.152 1.00 . A A . 9 GLY N 1 1 19 9879 1 1 10 GLY O O 7.891 -4.451 4.679 1.00 . A A . 9 GLY O 1 1 19 9880 1 1 11 ASP C C 11.388 -5.785 4.422 1.00 . A A . 10 ASP C 1 1 19 9881 1 1 11 ASP CA C 9.951 -6.258 4.276 1.00 . A A . 10 ASP CA 1 1 19 9882 1 1 11 ASP CB C 9.924 -7.762 3.981 1.00 . A A . 10 ASP CB 1 1 19 9883 1 1 11 ASP CG C 8.572 -8.391 4.252 1.00 . A A . 10 ASP CG 1 1 19 9884 1 1 11 ASP H H 9.521 -5.619 2.301 1.00 . A A . 10 ASP H 1 1 19 9885 1 1 11 ASP HA H 9.438 -6.078 5.206 1.00 . A A . 10 ASP HA 1 1 19 9886 1 1 11 ASP HB2 H 10.171 -7.924 2.944 1.00 . A A . 10 ASP HB2 1 1 19 9887 1 1 11 ASP HB3 H 10.659 -8.254 4.600 1.00 . A A . 10 ASP HB3 1 1 19 9888 1 1 11 ASP N N 9.255 -5.504 3.237 1.00 . A A . 10 ASP N 1 1 19 9889 1 1 11 ASP O O 11.731 -5.100 5.385 1.00 . A A . 10 ASP O 1 1 19 9890 1 1 11 ASP OD1 O 8.484 -9.254 5.149 1.00 . A A . 10 ASP OD1 1 1 19 9891 1 1 11 ASP OD2 O 7.588 -8.021 3.577 1.00 . A A . 10 ASP OD2 1 1 19 9892 1 1 12 ASN C C 13.972 -4.782 2.403 1.00 . A A . 11 ASN C 1 1 19 9893 1 1 12 ASN CA C 13.640 -5.768 3.516 1.00 . A A . 11 ASN CA 1 1 19 9894 1 1 12 ASN CB C 14.546 -7.001 3.413 1.00 . A A . 11 ASN CB 1 1 19 9895 1 1 12 ASN CG C 14.500 -7.670 2.048 1.00 . A A . 11 ASN CG 1 1 19 9896 1 1 12 ASN H H 11.903 -6.684 2.713 1.00 . A A . 11 ASN H 1 1 19 9897 1 1 12 ASN HA H 13.813 -5.286 4.464 1.00 . A A . 11 ASN HA 1 1 19 9898 1 1 12 ASN HB2 H 15.565 -6.705 3.609 1.00 . A A . 11 ASN HB2 1 1 19 9899 1 1 12 ASN HB3 H 14.240 -7.724 4.156 1.00 . A A . 11 ASN HB3 1 1 19 9900 1 1 12 ASN HD21 H 16.403 -8.218 2.226 1.00 . A A . 11 ASN HD21 1 1 19 9901 1 1 12 ASN HD22 H 15.619 -8.687 0.759 1.00 . A A . 11 ASN HD22 1 1 19 9902 1 1 12 ASN N N 12.231 -6.146 3.467 1.00 . A A . 11 ASN N 1 1 19 9903 1 1 12 ASN ND2 N 15.619 -8.250 1.636 1.00 . A A . 11 ASN ND2 1 1 19 9904 1 1 12 ASN O O 15.142 -4.544 2.093 1.00 . A A . 11 ASN O 1 1 19 9905 1 1 12 ASN OD1 O 13.472 -7.670 1.371 1.00 . A A . 11 ASN OD1 1 1 19 9906 1 1 13 ALA C C 13.788 -1.974 1.266 1.00 . A A . 12 ALA C 1 1 19 9907 1 1 13 ALA CA C 13.097 -3.230 0.752 1.00 . A A . 12 ALA CA 1 1 19 9908 1 1 13 ALA CB C 11.744 -2.886 0.148 1.00 . A A . 12 ALA CB 1 1 19 9909 1 1 13 ALA H H 12.034 -4.432 2.117 1.00 . A A . 12 ALA H 1 1 19 9910 1 1 13 ALA HA H 13.707 -3.675 -0.018 1.00 . A A . 12 ALA HA 1 1 19 9911 1 1 13 ALA HB1 H 11.885 -2.227 -0.695 1.00 . A A . 12 ALA HB1 1 1 19 9912 1 1 13 ALA HB2 H 11.132 -2.396 0.890 1.00 . A A . 12 ALA HB2 1 1 19 9913 1 1 13 ALA HB3 H 11.256 -3.792 -0.181 1.00 . A A . 12 ALA HB3 1 1 19 9914 1 1 13 ALA N N 12.934 -4.203 1.818 1.00 . A A . 12 ALA N 1 1 19 9915 1 1 13 ALA O O 13.803 -1.707 2.470 1.00 . A A . 12 ALA O 1 1 19 9916 1 1 14 THR C C 14.123 1.072 1.202 1.00 . A A . 13 THR C 1 1 19 9917 1 1 14 THR CA C 15.080 0.000 0.697 1.00 . A A . 13 THR CA 1 1 19 9918 1 1 14 THR CB C 15.858 0.533 -0.516 1.00 . A A . 13 THR CB 1 1 19 9919 1 1 14 THR CG2 C 16.978 -0.423 -0.890 1.00 . A A . 13 THR CG2 1 1 19 9920 1 1 14 THR H H 14.300 -1.478 -0.593 1.00 . A A . 13 THR H 1 1 19 9921 1 1 14 THR HA H 15.787 -0.234 1.478 1.00 . A A . 13 THR HA 1 1 19 9922 1 1 14 THR HB H 16.289 1.487 -0.258 1.00 . A A . 13 THR HB 1 1 19 9923 1 1 14 THR HG1 H 14.912 -0.118 -2.125 1.00 . A A . 13 THR HG1 1 1 19 9924 1 1 14 THR HG21 H 16.561 -1.394 -1.116 1.00 . A A . 13 THR HG21 1 1 19 9925 1 1 14 THR HG22 H 17.666 -0.510 -0.063 1.00 . A A . 13 THR HG22 1 1 19 9926 1 1 14 THR HG23 H 17.500 -0.044 -1.755 1.00 . A A . 13 THR HG23 1 1 19 9927 1 1 14 THR N N 14.363 -1.216 0.349 1.00 . A A . 13 THR N 1 1 19 9928 1 1 14 THR O O 12.942 1.064 0.862 1.00 . A A . 13 THR O 1 1 19 9929 1 1 14 THR OG1 O 14.971 0.707 -1.630 1.00 . A A . 13 THR OG1 1 1 19 9930 1 1 15 PRO C C 13.170 3.928 1.449 1.00 . A A . 14 PRO C 1 1 19 9931 1 1 15 PRO CA C 13.806 3.106 2.561 1.00 . A A . 14 PRO CA 1 1 19 9932 1 1 15 PRO CB C 14.808 3.953 3.360 1.00 . A A . 14 PRO CB 1 1 19 9933 1 1 15 PRO CD C 16.008 2.086 2.498 1.00 . A A . 14 PRO CD 1 1 19 9934 1 1 15 PRO CG C 16.149 3.533 2.886 1.00 . A A . 14 PRO CG 1 1 19 9935 1 1 15 PRO HA H 13.034 2.737 3.216 1.00 . A A . 14 PRO HA 1 1 19 9936 1 1 15 PRO HB2 H 14.642 5.003 3.162 1.00 . A A . 14 PRO HB2 1 1 19 9937 1 1 15 PRO HB3 H 14.712 3.750 4.413 1.00 . A A . 14 PRO HB3 1 1 19 9938 1 1 15 PRO HD2 H 16.702 1.834 1.711 1.00 . A A . 14 PRO HD2 1 1 19 9939 1 1 15 PRO HD3 H 16.155 1.444 3.353 1.00 . A A . 14 PRO HD3 1 1 19 9940 1 1 15 PRO HG2 H 16.437 4.138 2.031 1.00 . A A . 14 PRO HG2 1 1 19 9941 1 1 15 PRO HG3 H 16.868 3.632 3.684 1.00 . A A . 14 PRO HG3 1 1 19 9942 1 1 15 PRO N N 14.620 2.013 2.023 1.00 . A A . 14 PRO N 1 1 19 9943 1 1 15 PRO O O 12.088 4.492 1.614 1.00 . A A . 14 PRO O 1 1 19 9944 1 1 16 GLU C C 12.079 3.995 -1.361 1.00 . A A . 15 GLU C 1 1 19 9945 1 1 16 GLU CA C 13.346 4.676 -0.857 1.00 . A A . 15 GLU CA 1 1 19 9946 1 1 16 GLU CB C 14.399 4.684 -1.965 1.00 . A A . 15 GLU CB 1 1 19 9947 1 1 16 GLU CD C 14.889 5.205 -4.380 1.00 . A A . 15 GLU CD 1 1 19 9948 1 1 16 GLU CG C 13.977 5.458 -3.202 1.00 . A A . 15 GLU CG 1 1 19 9949 1 1 16 GLU H H 14.722 3.534 0.258 1.00 . A A . 15 GLU H 1 1 19 9950 1 1 16 GLU HA H 13.116 5.689 -0.573 1.00 . A A . 15 GLU HA 1 1 19 9951 1 1 16 GLU HB2 H 15.304 5.124 -1.579 1.00 . A A . 15 GLU HB2 1 1 19 9952 1 1 16 GLU HB3 H 14.602 3.664 -2.257 1.00 . A A . 15 GLU HB3 1 1 19 9953 1 1 16 GLU HG2 H 12.975 5.163 -3.471 1.00 . A A . 15 GLU HG2 1 1 19 9954 1 1 16 GLU HG3 H 13.992 6.515 -2.977 1.00 . A A . 15 GLU HG3 1 1 19 9955 1 1 16 GLU N N 13.853 3.982 0.312 1.00 . A A . 15 GLU N 1 1 19 9956 1 1 16 GLU O O 11.052 4.637 -1.589 1.00 . A A . 15 GLU O 1 1 19 9957 1 1 16 GLU OE1 O 14.557 4.344 -5.222 1.00 . A A . 15 GLU OE1 1 1 19 9958 1 1 16 GLU OE2 O 15.945 5.869 -4.478 1.00 . A A . 15 GLU OE2 1 1 19 9959 1 1 17 LYS C C 9.968 1.732 -0.988 1.00 . A A . 16 LYS C 1 1 19 9960 1 1 17 LYS CA C 11.058 1.901 -2.038 1.00 . A A . 16 LYS CA 1 1 19 9961 1 1 17 LYS CB C 11.553 0.537 -2.521 1.00 . A A . 16 LYS CB 1 1 19 9962 1 1 17 LYS CD C 11.024 -1.570 -3.792 1.00 . A A . 16 LYS CD 1 1 19 9963 1 1 17 LYS CE C 11.901 -1.251 -4.993 1.00 . A A . 16 LYS CE 1 1 19 9964 1 1 17 LYS CG C 10.463 -0.312 -3.152 1.00 . A A . 16 LYS CG 1 1 19 9965 1 1 17 LYS H H 12.991 2.224 -1.260 1.00 . A A . 16 LYS H 1 1 19 9966 1 1 17 LYS HA H 10.646 2.442 -2.877 1.00 . A A . 16 LYS HA 1 1 19 9967 1 1 17 LYS HB2 H 12.337 0.684 -3.250 1.00 . A A . 16 LYS HB2 1 1 19 9968 1 1 17 LYS HB3 H 11.957 -0.004 -1.676 1.00 . A A . 16 LYS HB3 1 1 19 9969 1 1 17 LYS HD2 H 11.614 -2.102 -3.061 1.00 . A A . 16 LYS HD2 1 1 19 9970 1 1 17 LYS HD3 H 10.203 -2.194 -4.115 1.00 . A A . 16 LYS HD3 1 1 19 9971 1 1 17 LYS HE2 H 11.341 -0.635 -5.680 1.00 . A A . 16 LYS HE2 1 1 19 9972 1 1 17 LYS HE3 H 12.773 -0.710 -4.654 1.00 . A A . 16 LYS HE3 1 1 19 9973 1 1 17 LYS HG2 H 9.755 -0.598 -2.388 1.00 . A A . 16 LYS HG2 1 1 19 9974 1 1 17 LYS HG3 H 9.961 0.273 -3.909 1.00 . A A . 16 LYS HG3 1 1 19 9975 1 1 17 LYS HZ1 H 12.875 -2.234 -6.554 1.00 . A A . 16 LYS HZ1 1 1 19 9976 1 1 17 LYS HZ2 H 11.518 -3.052 -5.972 1.00 . A A . 16 LYS HZ2 1 1 19 9977 1 1 17 LYS HZ3 H 12.951 -3.051 -5.079 1.00 . A A . 16 LYS HZ3 1 1 19 9978 1 1 17 LYS N N 12.162 2.681 -1.513 1.00 . A A . 16 LYS N 1 1 19 9979 1 1 17 LYS NZ N 12.341 -2.482 -5.699 1.00 . A A . 16 LYS NZ 1 1 19 9980 1 1 17 LYS O O 8.780 1.743 -1.310 1.00 . A A . 16 LYS O 1 1 19 9981 1 1 18 LEU C C 8.569 2.737 1.469 1.00 . A A . 17 LEU C 1 1 19 9982 1 1 18 LEU CA C 9.423 1.484 1.366 1.00 . A A . 17 LEU CA 1 1 19 9983 1 1 18 LEU CB C 10.135 1.230 2.693 1.00 . A A . 17 LEU CB 1 1 19 9984 1 1 18 LEU CD1 C 11.325 -0.318 4.250 1.00 . A A . 17 LEU CD1 1 1 19 9985 1 1 18 LEU CD2 C 9.645 -1.223 2.643 1.00 . A A . 17 LEU CD2 1 1 19 9986 1 1 18 LEU CG C 10.716 -0.170 2.868 1.00 . A A . 17 LEU CG 1 1 19 9987 1 1 18 LEU H H 11.337 1.542 0.465 1.00 . A A . 17 LEU H 1 1 19 9988 1 1 18 LEU HA H 8.781 0.647 1.152 1.00 . A A . 17 LEU HA 1 1 19 9989 1 1 18 LEU HB2 H 10.940 1.940 2.781 1.00 . A A . 17 LEU HB2 1 1 19 9990 1 1 18 LEU HB3 H 9.434 1.408 3.493 1.00 . A A . 17 LEU HB3 1 1 19 9991 1 1 18 LEU HD11 H 11.763 -1.299 4.349 1.00 . A A . 17 LEU HD11 1 1 19 9992 1 1 18 LEU HD12 H 10.555 -0.190 4.998 1.00 . A A . 17 LEU HD12 1 1 19 9993 1 1 18 LEU HD13 H 12.086 0.433 4.386 1.00 . A A . 17 LEU HD13 1 1 19 9994 1 1 18 LEU HD21 H 8.799 -1.016 3.280 1.00 . A A . 17 LEU HD21 1 1 19 9995 1 1 18 LEU HD22 H 10.045 -2.197 2.880 1.00 . A A . 17 LEU HD22 1 1 19 9996 1 1 18 LEU HD23 H 9.334 -1.203 1.610 1.00 . A A . 17 LEU HD23 1 1 19 9997 1 1 18 LEU HG H 11.499 -0.324 2.138 1.00 . A A . 17 LEU HG 1 1 19 9998 1 1 18 LEU N N 10.373 1.592 0.270 1.00 . A A . 17 LEU N 1 1 19 9999 1 1 18 LEU O O 7.422 2.673 1.894 1.00 . A A . 17 LEU O 1 1 19 10000 1 1 19 ALA C C 7.249 5.038 0.039 1.00 . A A . 18 ALA C 1 1 19 10001 1 1 19 ALA CA C 8.379 5.116 1.055 1.00 . A A . 18 ALA CA 1 1 19 10002 1 1 19 ALA CB C 9.295 6.280 0.742 1.00 . A A . 18 ALA CB 1 1 19 10003 1 1 19 ALA H H 10.065 3.872 0.793 1.00 . A A . 18 ALA H 1 1 19 10004 1 1 19 ALA HA H 7.960 5.268 2.037 1.00 . A A . 18 ALA HA 1 1 19 10005 1 1 19 ALA HB1 H 8.730 7.199 0.763 1.00 . A A . 18 ALA HB1 1 1 19 10006 1 1 19 ALA HB2 H 9.726 6.142 -0.238 1.00 . A A . 18 ALA HB2 1 1 19 10007 1 1 19 ALA HB3 H 10.082 6.324 1.478 1.00 . A A . 18 ALA HB3 1 1 19 10008 1 1 19 ALA N N 9.127 3.871 1.074 1.00 . A A . 18 ALA N 1 1 19 10009 1 1 19 ALA O O 6.127 5.472 0.301 1.00 . A A . 18 ALA O 1 1 19 10010 1 1 20 LYS C C 5.537 3.224 -1.696 1.00 . A A . 19 LYS C 1 1 19 10011 1 1 20 LYS CA C 6.553 4.265 -2.155 1.00 . A A . 19 LYS CA 1 1 19 10012 1 1 20 LYS CB C 7.226 3.824 -3.459 1.00 . A A . 19 LYS CB 1 1 19 10013 1 1 20 LYS CD C 6.979 3.297 -5.914 1.00 . A A . 19 LYS CD 1 1 19 10014 1 1 20 LYS CE C 8.155 4.166 -6.338 1.00 . A A . 19 LYS CE 1 1 19 10015 1 1 20 LYS CG C 6.295 3.829 -4.663 1.00 . A A . 19 LYS CG 1 1 19 10016 1 1 20 LYS H H 8.470 4.161 -1.275 1.00 . A A . 19 LYS H 1 1 19 10017 1 1 20 LYS HA H 6.047 5.203 -2.312 1.00 . A A . 19 LYS HA 1 1 19 10018 1 1 20 LYS HB2 H 8.049 4.489 -3.665 1.00 . A A . 19 LYS HB2 1 1 19 10019 1 1 20 LYS HB3 H 7.609 2.821 -3.331 1.00 . A A . 19 LYS HB3 1 1 19 10020 1 1 20 LYS HD2 H 7.340 2.299 -5.716 1.00 . A A . 19 LYS HD2 1 1 19 10021 1 1 20 LYS HD3 H 6.260 3.266 -6.719 1.00 . A A . 19 LYS HD3 1 1 19 10022 1 1 20 LYS HE2 H 7.802 5.172 -6.504 1.00 . A A . 19 LYS HE2 1 1 19 10023 1 1 20 LYS HE3 H 8.889 4.167 -5.546 1.00 . A A . 19 LYS HE3 1 1 19 10024 1 1 20 LYS HG2 H 5.439 3.209 -4.445 1.00 . A A . 19 LYS HG2 1 1 19 10025 1 1 20 LYS HG3 H 5.968 4.841 -4.848 1.00 . A A . 19 LYS HG3 1 1 19 10026 1 1 20 LYS HZ1 H 8.104 3.676 -8.365 1.00 . A A . 19 LYS HZ1 1 1 19 10027 1 1 20 LYS HZ2 H 9.120 2.686 -7.449 1.00 . A A . 19 LYS HZ2 1 1 19 10028 1 1 20 LYS HZ3 H 9.602 4.257 -7.840 1.00 . A A . 19 LYS HZ3 1 1 19 10029 1 1 20 LYS N N 7.551 4.461 -1.117 1.00 . A A . 19 LYS N 1 1 19 10030 1 1 20 LYS NZ N 8.789 3.662 -7.584 1.00 . A A . 19 LYS NZ 1 1 19 10031 1 1 20 LYS O O 4.347 3.319 -1.997 1.00 . A A . 19 LYS O 1 1 19 10032 1 1 21 TYR C C 4.220 1.870 0.653 1.00 . A A . 20 TYR C 1 1 19 10033 1 1 21 TYR CA C 5.167 1.226 -0.353 1.00 . A A . 20 TYR CA 1 1 19 10034 1 1 21 TYR CB C 6.018 0.150 0.330 1.00 . A A . 20 TYR CB 1 1 19 10035 1 1 21 TYR CD1 C 4.576 -1.926 0.344 1.00 . A A . 20 TYR CD1 1 1 19 10036 1 1 21 TYR CD2 C 5.096 -0.900 2.431 1.00 . A A . 20 TYR CD2 1 1 19 10037 1 1 21 TYR CE1 C 3.845 -2.898 0.999 1.00 . A A . 20 TYR CE1 1 1 19 10038 1 1 21 TYR CE2 C 4.366 -1.869 3.093 1.00 . A A . 20 TYR CE2 1 1 19 10039 1 1 21 TYR CG C 5.214 -0.911 1.049 1.00 . A A . 20 TYR CG 1 1 19 10040 1 1 21 TYR CZ C 3.730 -2.856 2.370 1.00 . A A . 20 TYR CZ 1 1 19 10041 1 1 21 TYR H H 6.994 2.181 -0.814 1.00 . A A . 20 TYR H 1 1 19 10042 1 1 21 TYR HA H 4.586 0.771 -1.139 1.00 . A A . 20 TYR HA 1 1 19 10043 1 1 21 TYR HB2 H 6.622 -0.345 -0.416 1.00 . A A . 20 TYR HB2 1 1 19 10044 1 1 21 TYR HB3 H 6.664 0.624 1.054 1.00 . A A . 20 TYR HB3 1 1 19 10045 1 1 21 TYR HD1 H 4.657 -1.949 -0.733 1.00 . A A . 20 TYR HD1 1 1 19 10046 1 1 21 TYR HD2 H 5.584 -0.117 2.994 1.00 . A A . 20 TYR HD2 1 1 19 10047 1 1 21 TYR HE1 H 3.358 -3.679 0.433 1.00 . A A . 20 TYR HE1 1 1 19 10048 1 1 21 TYR HE2 H 4.286 -1.845 4.169 1.00 . A A . 20 TYR HE2 1 1 19 10049 1 1 21 TYR HH H 3.204 -4.694 2.624 1.00 . A A . 20 TYR HH 1 1 19 10050 1 1 21 TYR N N 6.024 2.235 -0.955 1.00 . A A . 20 TYR N 1 1 19 10051 1 1 21 TYR O O 3.029 1.570 0.673 1.00 . A A . 20 TYR O 1 1 19 10052 1 1 21 TYR OH O 3.018 -3.836 3.028 1.00 . A A . 20 TYR OH 1 1 19 10053 1 1 22 GLN C C 2.892 4.335 1.773 1.00 . A A . 21 GLN C 1 1 19 10054 1 1 22 GLN CA C 3.950 3.483 2.458 1.00 . A A . 21 GLN CA 1 1 19 10055 1 1 22 GLN CB C 4.837 4.364 3.343 1.00 . A A . 21 GLN CB 1 1 19 10056 1 1 22 GLN CD C 4.988 2.752 5.288 1.00 . A A . 21 GLN CD 1 1 19 10057 1 1 22 GLN CG C 5.753 3.577 4.270 1.00 . A A . 21 GLN CG 1 1 19 10058 1 1 22 GLN H H 5.720 2.950 1.423 1.00 . A A . 21 GLN H 1 1 19 10059 1 1 22 GLN HA H 3.455 2.751 3.077 1.00 . A A . 21 GLN HA 1 1 19 10060 1 1 22 GLN HB2 H 5.449 4.988 2.709 1.00 . A A . 21 GLN HB2 1 1 19 10061 1 1 22 GLN HB3 H 4.205 4.995 3.949 1.00 . A A . 21 GLN HB3 1 1 19 10062 1 1 22 GLN HE21 H 6.442 1.396 5.340 1.00 . A A . 21 GLN HE21 1 1 19 10063 1 1 22 GLN HE22 H 5.083 1.085 6.362 1.00 . A A . 21 GLN HE22 1 1 19 10064 1 1 22 GLN HG2 H 6.360 2.913 3.673 1.00 . A A . 21 GLN HG2 1 1 19 10065 1 1 22 GLN HG3 H 6.392 4.270 4.797 1.00 . A A . 21 GLN HG3 1 1 19 10066 1 1 22 GLN N N 4.753 2.768 1.474 1.00 . A A . 21 GLN N 1 1 19 10067 1 1 22 GLN NE2 N 5.561 1.632 5.704 1.00 . A A . 21 GLN NE2 1 1 19 10068 1 1 22 GLN O O 1.765 4.441 2.251 1.00 . A A . 21 GLN O 1 1 19 10069 1 1 22 GLN OE1 O 3.893 3.124 5.706 1.00 . A A . 21 GLN OE1 1 1 19 10070 1 1 23 ALA C C 1.235 4.907 -0.741 1.00 . A A . 22 ALA C 1 1 19 10071 1 1 23 ALA CA C 2.339 5.754 -0.120 1.00 . A A . 22 ALA CA 1 1 19 10072 1 1 23 ALA CB C 3.096 6.512 -1.197 1.00 . A A . 22 ALA CB 1 1 19 10073 1 1 23 ALA H H 4.179 4.816 0.324 1.00 . A A . 22 ALA H 1 1 19 10074 1 1 23 ALA HA H 1.896 6.471 0.553 1.00 . A A . 22 ALA HA 1 1 19 10075 1 1 23 ALA HB1 H 3.861 7.120 -0.738 1.00 . A A . 22 ALA HB1 1 1 19 10076 1 1 23 ALA HB2 H 2.411 7.143 -1.742 1.00 . A A . 22 ALA HB2 1 1 19 10077 1 1 23 ALA HB3 H 3.556 5.807 -1.874 1.00 . A A . 22 ALA HB3 1 1 19 10078 1 1 23 ALA N N 3.258 4.929 0.647 1.00 . A A . 22 ALA N 1 1 19 10079 1 1 23 ALA O O 0.086 5.343 -0.856 1.00 . A A . 22 ALA O 1 1 19 10080 1 1 24 ASP C C -0.251 2.168 -0.656 1.00 . A A . 23 ASP C 1 1 19 10081 1 1 24 ASP CA C 0.629 2.777 -1.741 1.00 . A A . 23 ASP CA 1 1 19 10082 1 1 24 ASP CB C 1.359 1.674 -2.515 1.00 . A A . 23 ASP CB 1 1 19 10083 1 1 24 ASP CG C 0.458 0.932 -3.486 1.00 . A A . 23 ASP CG 1 1 19 10084 1 1 24 ASP H H 2.524 3.412 -1.033 1.00 . A A . 23 ASP H 1 1 19 10085 1 1 24 ASP HA H 0.010 3.341 -2.422 1.00 . A A . 23 ASP HA 1 1 19 10086 1 1 24 ASP HB2 H 2.167 2.117 -3.080 1.00 . A A . 23 ASP HB2 1 1 19 10087 1 1 24 ASP HB3 H 1.765 0.960 -1.811 1.00 . A A . 23 ASP HB3 1 1 19 10088 1 1 24 ASP N N 1.589 3.696 -1.141 1.00 . A A . 23 ASP N 1 1 19 10089 1 1 24 ASP O O -1.462 2.026 -0.825 1.00 . A A . 23 ASP O 1 1 19 10090 1 1 24 ASP OD1 O -0.394 0.139 -3.045 1.00 . A A . 23 ASP OD1 1 1 19 10091 1 1 24 ASP OD2 O 0.622 1.125 -4.707 1.00 . A A . 23 ASP OD2 1 1 19 10092 1 1 25 LEU C C -1.310 2.356 2.159 1.00 . A A . 24 LEU C 1 1 19 10093 1 1 25 LEU CA C -0.345 1.300 1.624 1.00 . A A . 24 LEU CA 1 1 19 10094 1 1 25 LEU CB C 0.667 0.847 2.699 1.00 . A A . 24 LEU CB 1 1 19 10095 1 1 25 LEU CD1 C -0.462 1.035 4.941 1.00 . A A . 24 LEU CD1 1 1 19 10096 1 1 25 LEU CD2 C -0.949 -0.924 3.470 1.00 . A A . 24 LEU CD2 1 1 19 10097 1 1 25 LEU CG C 0.108 0.081 3.908 1.00 . A A . 24 LEU CG 1 1 19 10098 1 1 25 LEU H H 1.346 1.941 0.524 1.00 . A A . 24 LEU H 1 1 19 10099 1 1 25 LEU HA H -0.920 0.447 1.295 1.00 . A A . 24 LEU HA 1 1 19 10100 1 1 25 LEU HB2 H 1.403 0.215 2.223 1.00 . A A . 24 LEU HB2 1 1 19 10101 1 1 25 LEU HB3 H 1.169 1.728 3.070 1.00 . A A . 24 LEU HB3 1 1 19 10102 1 1 25 LEU HD11 H -1.248 1.622 4.491 1.00 . A A . 24 LEU HD11 1 1 19 10103 1 1 25 LEU HD12 H 0.320 1.691 5.295 1.00 . A A . 24 LEU HD12 1 1 19 10104 1 1 25 LEU HD13 H -0.864 0.473 5.771 1.00 . A A . 24 LEU HD13 1 1 19 10105 1 1 25 LEU HD21 H -0.520 -1.608 2.754 1.00 . A A . 24 LEU HD21 1 1 19 10106 1 1 25 LEU HD22 H -1.776 -0.400 3.018 1.00 . A A . 24 LEU HD22 1 1 19 10107 1 1 25 LEU HD23 H -1.299 -1.474 4.330 1.00 . A A . 24 LEU HD23 1 1 19 10108 1 1 25 LEU HG H 0.912 -0.468 4.376 1.00 . A A . 24 LEU HG 1 1 19 10109 1 1 25 LEU N N 0.369 1.831 0.469 1.00 . A A . 24 LEU N 1 1 19 10110 1 1 25 LEU O O -2.427 2.042 2.564 1.00 . A A . 24 LEU O 1 1 19 10111 1 1 26 ALA C C -2.932 4.817 1.581 1.00 . A A . 25 ALA C 1 1 19 10112 1 1 26 ALA CA C -1.733 4.726 2.515 1.00 . A A . 25 ALA CA 1 1 19 10113 1 1 26 ALA CB C -0.943 6.020 2.487 1.00 . A A . 25 ALA CB 1 1 19 10114 1 1 26 ALA H H 0.051 3.793 1.866 1.00 . A A . 25 ALA H 1 1 19 10115 1 1 26 ALA HA H -2.079 4.560 3.522 1.00 . A A . 25 ALA HA 1 1 19 10116 1 1 26 ALA HB1 H -0.591 6.204 1.483 1.00 . A A . 25 ALA HB1 1 1 19 10117 1 1 26 ALA HB2 H -0.101 5.937 3.154 1.00 . A A . 25 ALA HB2 1 1 19 10118 1 1 26 ALA HB3 H -1.576 6.834 2.803 1.00 . A A . 25 ALA HB3 1 1 19 10119 1 1 26 ALA N N -0.877 3.611 2.136 1.00 . A A . 25 ALA N 1 1 19 10120 1 1 26 ALA O O -4.062 5.036 2.017 1.00 . A A . 25 ALA O 1 1 19 10121 1 1 27 LYS C C -4.688 3.474 -0.446 1.00 . A A . 26 LYS C 1 1 19 10122 1 1 27 LYS CA C -3.721 4.622 -0.718 1.00 . A A . 26 LYS CA 1 1 19 10123 1 1 27 LYS CB C -3.102 4.481 -2.112 1.00 . A A . 26 LYS CB 1 1 19 10124 1 1 27 LYS CD C -3.420 4.369 -4.594 1.00 . A A . 26 LYS CD 1 1 19 10125 1 1 27 LYS CE C -4.419 4.328 -5.738 1.00 . A A . 26 LYS CE 1 1 19 10126 1 1 27 LYS CG C -4.109 4.522 -3.249 1.00 . A A . 26 LYS CG 1 1 19 10127 1 1 27 LYS H H -1.740 4.512 0.012 1.00 . A A . 26 LYS H 1 1 19 10128 1 1 27 LYS HA H -4.257 5.556 -0.658 1.00 . A A . 26 LYS HA 1 1 19 10129 1 1 27 LYS HB2 H -2.393 5.281 -2.259 1.00 . A A . 26 LYS HB2 1 1 19 10130 1 1 27 LYS HB3 H -2.577 3.538 -2.162 1.00 . A A . 26 LYS HB3 1 1 19 10131 1 1 27 LYS HD2 H -2.754 5.206 -4.743 1.00 . A A . 26 LYS HD2 1 1 19 10132 1 1 27 LYS HD3 H -2.850 3.451 -4.592 1.00 . A A . 26 LYS HD3 1 1 19 10133 1 1 27 LYS HE2 H -5.021 5.224 -5.706 1.00 . A A . 26 LYS HE2 1 1 19 10134 1 1 27 LYS HE3 H -3.876 4.292 -6.671 1.00 . A A . 26 LYS HE3 1 1 19 10135 1 1 27 LYS HG2 H -4.815 3.716 -3.122 1.00 . A A . 26 LYS HG2 1 1 19 10136 1 1 27 LYS HG3 H -4.628 5.467 -3.224 1.00 . A A . 26 LYS HG3 1 1 19 10137 1 1 27 LYS HZ1 H -4.754 2.272 -5.594 1.00 . A A . 26 LYS HZ1 1 1 19 10138 1 1 27 LYS HZ2 H -5.919 3.092 -6.499 1.00 . A A . 26 LYS HZ2 1 1 19 10139 1 1 27 LYS HZ3 H -5.924 3.210 -4.813 1.00 . A A . 26 LYS HZ3 1 1 19 10140 1 1 27 LYS N N -2.671 4.635 0.292 1.00 . A A . 26 LYS N 1 1 19 10141 1 1 27 LYS NZ N -5.315 3.145 -5.655 1.00 . A A . 26 LYS NZ 1 1 19 10142 1 1 27 LYS O O -5.898 3.608 -0.618 1.00 . A A . 26 LYS O 1 1 19 10143 1 1 28 TYR C C -5.826 1.538 1.563 1.00 . A A . 27 TYR C 1 1 19 10144 1 1 28 TYR CA C -4.934 1.193 0.374 1.00 . A A . 27 TYR CA 1 1 19 10145 1 1 28 TYR CB C -4.018 0.008 0.716 1.00 . A A . 27 TYR CB 1 1 19 10146 1 1 28 TYR CD1 C -5.307 -2.136 0.350 1.00 . A A . 27 TYR CD1 1 1 19 10147 1 1 28 TYR CD2 C -4.878 -1.446 2.590 1.00 . A A . 27 TYR CD2 1 1 19 10148 1 1 28 TYR CE1 C -5.972 -3.251 0.815 1.00 . A A . 27 TYR CE1 1 1 19 10149 1 1 28 TYR CE2 C -5.543 -2.560 3.062 1.00 . A A . 27 TYR CE2 1 1 19 10150 1 1 28 TYR CG C -4.748 -1.214 1.230 1.00 . A A . 27 TYR CG 1 1 19 10151 1 1 28 TYR CZ C -6.087 -3.456 2.177 1.00 . A A . 27 TYR CZ 1 1 19 10152 1 1 28 TYR H H -3.156 2.299 0.069 1.00 . A A . 27 TYR H 1 1 19 10153 1 1 28 TYR HA H -5.560 0.929 -0.465 1.00 . A A . 27 TYR HA 1 1 19 10154 1 1 28 TYR HB2 H -3.473 -0.284 -0.169 1.00 . A A . 27 TYR HB2 1 1 19 10155 1 1 28 TYR HB3 H -3.317 0.318 1.474 1.00 . A A . 27 TYR HB3 1 1 19 10156 1 1 28 TYR HD1 H -5.214 -1.971 -0.712 1.00 . A A . 27 TYR HD1 1 1 19 10157 1 1 28 TYR HD2 H -4.452 -0.741 3.288 1.00 . A A . 27 TYR HD2 1 1 19 10158 1 1 28 TYR HE1 H -6.399 -3.955 0.118 1.00 . A A . 27 TYR HE1 1 1 19 10159 1 1 28 TYR HE2 H -5.636 -2.722 4.124 1.00 . A A . 27 TYR HE2 1 1 19 10160 1 1 28 TYR HH H -7.231 -4.343 3.441 1.00 . A A . 27 TYR HH 1 1 19 10161 1 1 28 TYR N N -4.135 2.349 -0.007 1.00 . A A . 27 TYR N 1 1 19 10162 1 1 28 TYR O O -7.009 1.214 1.575 1.00 . A A . 27 TYR O 1 1 19 10163 1 1 28 TYR OH O -6.746 -4.571 2.639 1.00 . A A . 27 TYR OH 1 1 19 10164 1 1 29 GLN C C -7.112 3.573 3.384 1.00 . A A . 28 GLN C 1 1 19 10165 1 1 29 GLN CA C -5.981 2.617 3.742 1.00 . A A . 28 GLN CA 1 1 19 10166 1 1 29 GLN CB C -5.054 3.292 4.759 1.00 . A A . 28 GLN CB 1 1 19 10167 1 1 29 GLN CD C -3.097 3.096 6.342 1.00 . A A . 28 GLN CD 1 1 19 10168 1 1 29 GLN CG C -3.978 2.381 5.332 1.00 . A A . 28 GLN CG 1 1 19 10169 1 1 29 GLN H H -4.297 2.444 2.477 1.00 . A A . 28 GLN H 1 1 19 10170 1 1 29 GLN HA H -6.406 1.727 4.185 1.00 . A A . 28 GLN HA 1 1 19 10171 1 1 29 GLN HB2 H -4.566 4.129 4.279 1.00 . A A . 28 GLN HB2 1 1 19 10172 1 1 29 GLN HB3 H -5.653 3.663 5.579 1.00 . A A . 28 GLN HB3 1 1 19 10173 1 1 29 GLN HE21 H -2.815 1.401 7.336 1.00 . A A . 28 GLN HE21 1 1 19 10174 1 1 29 GLN HE22 H -2.016 2.793 7.980 1.00 . A A . 28 GLN HE22 1 1 19 10175 1 1 29 GLN HG2 H -4.450 1.539 5.817 1.00 . A A . 28 GLN HG2 1 1 19 10176 1 1 29 GLN HG3 H -3.353 2.025 4.524 1.00 . A A . 28 GLN HG3 1 1 19 10177 1 1 29 GLN N N -5.246 2.213 2.551 1.00 . A A . 28 GLN N 1 1 19 10178 1 1 29 GLN NE2 N -2.595 2.357 7.317 1.00 . A A . 28 GLN NE2 1 1 19 10179 1 1 29 GLN O O -8.238 3.414 3.852 1.00 . A A . 28 GLN O 1 1 19 10180 1 1 29 GLN OE1 O -2.876 4.306 6.247 1.00 . A A . 28 GLN OE1 1 1 19 10181 1 1 30 LYS C C -8.929 4.910 1.387 1.00 . A A . 29 LYS C 1 1 19 10182 1 1 30 LYS CA C -7.787 5.564 2.154 1.00 . A A . 29 LYS CA 1 1 19 10183 1 1 30 LYS CB C -7.129 6.646 1.293 1.00 . A A . 29 LYS CB 1 1 19 10184 1 1 30 LYS CD C -7.432 8.770 -0.031 1.00 . A A . 29 LYS CD 1 1 19 10185 1 1 30 LYS CE C -6.133 9.374 0.482 1.00 . A A . 29 LYS CE 1 1 19 10186 1 1 30 LYS CG C -8.052 7.814 0.976 1.00 . A A . 29 LYS CG 1 1 19 10187 1 1 30 LYS H H -5.885 4.631 2.213 1.00 . A A . 29 LYS H 1 1 19 10188 1 1 30 LYS HA H -8.182 6.018 3.049 1.00 . A A . 29 LYS HA 1 1 19 10189 1 1 30 LYS HB2 H -6.265 7.029 1.816 1.00 . A A . 29 LYS HB2 1 1 19 10190 1 1 30 LYS HB3 H -6.809 6.204 0.359 1.00 . A A . 29 LYS HB3 1 1 19 10191 1 1 30 LYS HD2 H -7.229 8.231 -0.944 1.00 . A A . 29 LYS HD2 1 1 19 10192 1 1 30 LYS HD3 H -8.133 9.567 -0.232 1.00 . A A . 29 LYS HD3 1 1 19 10193 1 1 30 LYS HE2 H -6.343 9.941 1.375 1.00 . A A . 29 LYS HE2 1 1 19 10194 1 1 30 LYS HE3 H -5.447 8.575 0.715 1.00 . A A . 29 LYS HE3 1 1 19 10195 1 1 30 LYS HG2 H -8.974 7.429 0.569 1.00 . A A . 29 LYS HG2 1 1 19 10196 1 1 30 LYS HG3 H -8.258 8.353 1.889 1.00 . A A . 29 LYS HG3 1 1 19 10197 1 1 30 LYS HZ1 H -5.256 9.730 -1.378 1.00 . A A . 29 LYS HZ1 1 1 19 10198 1 1 30 LYS HZ2 H -4.646 10.701 -0.134 1.00 . A A . 29 LYS HZ2 1 1 19 10199 1 1 30 LYS HZ3 H -6.170 11.028 -0.789 1.00 . A A . 29 LYS HZ3 1 1 19 10200 1 1 30 LYS N N -6.803 4.565 2.557 1.00 . A A . 29 LYS N 1 1 19 10201 1 1 30 LYS NZ N -5.508 10.271 -0.524 1.00 . A A . 29 LYS NZ 1 1 19 10202 1 1 30 LYS O O -10.102 5.182 1.645 1.00 . A A . 29 LYS O 1 1 19 10203 1 1 31 ASP C C -10.410 2.429 0.557 1.00 . A A . 30 ASP C 1 1 19 10204 1 1 31 ASP CA C -9.552 3.309 -0.344 1.00 . A A . 30 ASP CA 1 1 19 10205 1 1 31 ASP CB C -8.839 2.450 -1.395 1.00 . A A . 30 ASP CB 1 1 19 10206 1 1 31 ASP CG C -9.779 1.896 -2.447 1.00 . A A . 30 ASP CG 1 1 19 10207 1 1 31 ASP H H -7.614 3.869 0.308 1.00 . A A . 30 ASP H 1 1 19 10208 1 1 31 ASP HA H -10.184 4.031 -0.838 1.00 . A A . 30 ASP HA 1 1 19 10209 1 1 31 ASP HB2 H -8.092 3.050 -1.896 1.00 . A A . 30 ASP HB2 1 1 19 10210 1 1 31 ASP HB3 H -8.354 1.617 -0.899 1.00 . A A . 30 ASP HB3 1 1 19 10211 1 1 31 ASP N N -8.570 4.035 0.458 1.00 . A A . 30 ASP N 1 1 19 10212 1 1 31 ASP O O -11.631 2.361 0.409 1.00 . A A . 30 ASP O 1 1 19 10213 1 1 31 ASP OD1 O -9.749 2.369 -3.600 1.00 . A A . 30 ASP OD1 1 1 19 10214 1 1 31 ASP OD2 O -10.576 0.995 -2.114 1.00 . A A . 30 ASP OD2 1 1 19 10215 1 1 32 LEU C C -11.363 1.691 3.359 1.00 . A A . 31 LEU C 1 1 19 10216 1 1 32 LEU CA C -10.416 0.898 2.461 1.00 . A A . 31 LEU CA 1 1 19 10217 1 1 32 LEU CB C -9.367 0.170 3.309 1.00 . A A . 31 LEU CB 1 1 19 10218 1 1 32 LEU CD1 C -10.613 -2.012 3.433 1.00 . A A . 31 LEU CD1 1 1 19 10219 1 1 32 LEU CD2 C -8.735 -1.538 5.007 1.00 . A A . 31 LEU CD2 1 1 19 10220 1 1 32 LEU CG C -9.890 -0.935 4.227 1.00 . A A . 31 LEU CG 1 1 19 10221 1 1 32 LEU H H -8.775 1.881 1.559 1.00 . A A . 31 LEU H 1 1 19 10222 1 1 32 LEU HA H -10.988 0.174 1.904 1.00 . A A . 31 LEU HA 1 1 19 10223 1 1 32 LEU HB2 H -8.635 -0.264 2.644 1.00 . A A . 31 LEU HB2 1 1 19 10224 1 1 32 LEU HB3 H -8.868 0.904 3.926 1.00 . A A . 31 LEU HB3 1 1 19 10225 1 1 32 LEU HD11 H -10.881 -2.826 4.091 1.00 . A A . 31 LEU HD11 1 1 19 10226 1 1 32 LEU HD12 H -9.966 -2.380 2.650 1.00 . A A . 31 LEU HD12 1 1 19 10227 1 1 32 LEU HD13 H -11.509 -1.598 2.994 1.00 . A A . 31 LEU HD13 1 1 19 10228 1 1 32 LEU HD21 H -8.292 -0.780 5.636 1.00 . A A . 31 LEU HD21 1 1 19 10229 1 1 32 LEU HD22 H -7.992 -1.911 4.316 1.00 . A A . 31 LEU HD22 1 1 19 10230 1 1 32 LEU HD23 H -9.098 -2.349 5.619 1.00 . A A . 31 LEU HD23 1 1 19 10231 1 1 32 LEU HG H -10.588 -0.512 4.934 1.00 . A A . 31 LEU HG 1 1 19 10232 1 1 32 LEU N N -9.750 1.774 1.504 1.00 . A A . 31 LEU N 1 1 19 10233 1 1 32 LEU O O -12.482 1.261 3.631 1.00 . A A . 31 LEU O 1 1 19 10234 1 1 33 ALA C C -12.928 4.231 3.920 1.00 . A A . 32 ALA C 1 1 19 10235 1 1 33 ALA CA C -11.696 3.730 4.657 1.00 . A A . 32 ALA CA 1 1 19 10236 1 1 33 ALA CB C -10.859 4.905 5.123 1.00 . A A . 32 ALA CB 1 1 19 10237 1 1 33 ALA H H -9.989 3.127 3.570 1.00 . A A . 32 ALA H 1 1 19 10238 1 1 33 ALA HA H -12.005 3.169 5.524 1.00 . A A . 32 ALA HA 1 1 19 10239 1 1 33 ALA HB1 H -9.974 4.542 5.619 1.00 . A A . 32 ALA HB1 1 1 19 10240 1 1 33 ALA HB2 H -11.437 5.509 5.806 1.00 . A A . 32 ALA HB2 1 1 19 10241 1 1 33 ALA HB3 H -10.576 5.500 4.268 1.00 . A A . 32 ALA HB3 1 1 19 10242 1 1 33 ALA N N -10.900 2.851 3.810 1.00 . A A . 32 ALA N 1 1 19 10243 1 1 33 ALA O O -14.011 4.343 4.495 1.00 . A A . 32 ALA O 1 1 19 10244 1 1 34 ASP C C -14.827 3.872 1.523 1.00 . A A . 33 ASP C 1 1 19 10245 1 1 34 ASP CA C -13.853 5.008 1.813 1.00 . A A . 33 ASP CA 1 1 19 10246 1 1 34 ASP CB C -13.324 5.604 0.504 1.00 . A A . 33 ASP CB 1 1 19 10247 1 1 34 ASP CG C -14.436 6.107 -0.399 1.00 . A A . 33 ASP CG 1 1 19 10248 1 1 34 ASP H H -11.852 4.461 2.254 1.00 . A A . 33 ASP H 1 1 19 10249 1 1 34 ASP HA H -14.371 5.777 2.366 1.00 . A A . 33 ASP HA 1 1 19 10250 1 1 34 ASP HB2 H -12.668 6.431 0.730 1.00 . A A . 33 ASP HB2 1 1 19 10251 1 1 34 ASP HB3 H -12.767 4.847 -0.029 1.00 . A A . 33 ASP HB3 1 1 19 10252 1 1 34 ASP N N -12.752 4.539 2.644 1.00 . A A . 33 ASP N 1 1 19 10253 1 1 34 ASP O O -16.026 4.090 1.348 1.00 . A A . 33 ASP O 1 1 19 10254 1 1 34 ASP OD1 O -14.721 5.446 -1.421 1.00 . A A . 33 ASP OD1 1 1 19 10255 1 1 34 ASP OD2 O -15.035 7.164 -0.091 1.00 . A A . 33 ASP OD2 1 1 19 10256 1 1 35 TYR C C -15.802 1.001 2.508 1.00 . A A . 34 TYR C 1 1 19 10257 1 1 35 TYR CA C -15.113 1.474 1.230 1.00 . A A . 34 TYR CA 1 1 19 10258 1 1 35 TYR CB C -14.239 0.363 0.644 1.00 . A A . 34 TYR CB 1 1 19 10259 1 1 35 TYR CD1 C -16.049 -0.895 -0.580 1.00 . A A . 34 TYR CD1 1 1 19 10260 1 1 35 TYR CD2 C -14.632 -2.115 0.896 1.00 . A A . 34 TYR CD2 1 1 19 10261 1 1 35 TYR CE1 C -16.733 -2.050 -0.886 1.00 . A A . 34 TYR CE1 1 1 19 10262 1 1 35 TYR CE2 C -15.313 -3.276 0.595 1.00 . A A . 34 TYR CE2 1 1 19 10263 1 1 35 TYR CG C -14.988 -0.907 0.315 1.00 . A A . 34 TYR CG 1 1 19 10264 1 1 35 TYR CZ C -16.368 -3.241 -0.279 1.00 . A A . 34 TYR CZ 1 1 19 10265 1 1 35 TYR H H -13.342 2.546 1.651 1.00 . A A . 34 TYR H 1 1 19 10266 1 1 35 TYR HA H -15.870 1.743 0.509 1.00 . A A . 34 TYR HA 1 1 19 10267 1 1 35 TYR HB2 H -13.782 0.716 -0.265 1.00 . A A . 34 TYR HB2 1 1 19 10268 1 1 35 TYR HB3 H -13.466 0.115 1.356 1.00 . A A . 34 TYR HB3 1 1 19 10269 1 1 35 TYR HD1 H -16.340 0.036 -1.040 1.00 . A A . 34 TYR HD1 1 1 19 10270 1 1 35 TYR HD2 H -13.812 -2.140 1.594 1.00 . A A . 34 TYR HD2 1 1 19 10271 1 1 35 TYR HE1 H -17.554 -2.018 -1.583 1.00 . A A . 34 TYR HE1 1 1 19 10272 1 1 35 TYR HE2 H -15.021 -4.206 1.058 1.00 . A A . 34 TYR HE2 1 1 19 10273 1 1 35 TYR HH H -17.272 -4.860 0.217 1.00 . A A . 34 TYR HH 1 1 19 10274 1 1 35 TYR N N -14.304 2.656 1.490 1.00 . A A . 34 TYR N 1 1 19 10275 1 1 35 TYR O O -15.279 0.163 3.243 1.00 . A A . 34 TYR O 1 1 19 10276 1 1 35 TYR OH O -17.046 -4.396 -0.602 1.00 . A A . 34 TYR OH 1 1 19 10277 1 1 36 NH2 HN1 H -17.332 2.207 2.142 1.00 . A A . 35 NH2 HN1 1 1 19 10278 1 1 36 NH2 HN2 H -17.448 1.261 3.583 1.00 . A A . 35 NH2 HN2 1 1 19 10279 1 1 36 NH2 N N -16.978 1.543 2.771 1.00 . A A . 35 NH2 N 1 1 20 10280 1 1 1 ACE C C -13.415 -3.906 -3.177 1.00 . A A . 0 ACE C 1 1 20 10281 1 1 1 ACE CH3 C -13.869 -2.540 -2.751 1.00 . A A . 0 ACE CH3 1 1 20 10282 1 1 1 ACE H1 H -12.999 -1.957 -2.469 1.00 . A A . 0 ACE H1 1 1 20 10283 1 1 1 ACE H2 H -14.530 -2.631 -1.909 1.00 . A A . 0 ACE H2 1 1 20 10284 1 1 1 ACE H3 H -14.399 -2.077 -3.576 1.00 . A A . 0 ACE H3 1 1 20 10285 1 1 1 ACE O O -13.283 -4.187 -4.369 1.00 . A A . 0 ACE O 1 1 20 10286 1 1 2 PRO C C -10.739 -4.396 -1.906 1.00 . A A . 1 PRO C 1 1 20 10287 1 1 2 PRO CA C -12.087 -4.633 -1.232 1.00 . A A . 1 PRO CA 1 1 20 10288 1 1 2 PRO CB C -12.071 -5.968 -0.467 1.00 . A A . 1 PRO CB 1 1 20 10289 1 1 2 PRO CD C -13.933 -6.020 -1.970 1.00 . A A . 1 PRO CD 1 1 20 10290 1 1 2 PRO CG C -12.949 -6.893 -1.239 1.00 . A A . 1 PRO CG 1 1 20 10291 1 1 2 PRO HA H -12.295 -3.826 -0.548 1.00 . A A . 1 PRO HA 1 1 20 10292 1 1 2 PRO HB2 H -11.058 -6.349 -0.422 1.00 . A A . 1 PRO HB2 1 1 20 10293 1 1 2 PRO HB3 H -12.460 -5.833 0.528 1.00 . A A . 1 PRO HB3 1 1 20 10294 1 1 2 PRO HD2 H -14.231 -6.475 -2.903 1.00 . A A . 1 PRO HD2 1 1 20 10295 1 1 2 PRO HD3 H -14.796 -5.816 -1.353 1.00 . A A . 1 PRO HD3 1 1 20 10296 1 1 2 PRO HG2 H -12.350 -7.461 -1.939 1.00 . A A . 1 PRO HG2 1 1 20 10297 1 1 2 PRO HG3 H -13.469 -7.556 -0.564 1.00 . A A . 1 PRO HG3 1 1 20 10298 1 1 2 PRO N N -13.166 -4.796 -2.208 1.00 . A A . 1 PRO N 1 1 20 10299 1 1 2 PRO O O -10.371 -5.107 -2.846 1.00 . A A . 1 PRO O 1 1 20 10300 1 1 3 PRO C C -7.648 -4.138 -1.727 1.00 . A A . 2 PRO C 1 1 20 10301 1 1 3 PRO CA C -8.682 -3.057 -2.007 1.00 . A A . 2 PRO CA 1 1 20 10302 1 1 3 PRO CB C -8.298 -1.757 -1.298 1.00 . A A . 2 PRO CB 1 1 20 10303 1 1 3 PRO CD C -10.363 -2.480 -0.339 1.00 . A A . 2 PRO CD 1 1 20 10304 1 1 3 PRO CG C -9.080 -1.756 -0.034 1.00 . A A . 2 PRO CG 1 1 20 10305 1 1 3 PRO HA H -8.743 -2.886 -3.072 1.00 . A A . 2 PRO HA 1 1 20 10306 1 1 3 PRO HB2 H -7.233 -1.751 -1.097 1.00 . A A . 2 PRO HB2 1 1 20 10307 1 1 3 PRO HB3 H -8.572 -0.908 -1.906 1.00 . A A . 2 PRO HB3 1 1 20 10308 1 1 3 PRO HD2 H -10.699 -3.040 0.522 1.00 . A A . 2 PRO HD2 1 1 20 10309 1 1 3 PRO HD3 H -11.125 -1.783 -0.657 1.00 . A A . 2 PRO HD3 1 1 20 10310 1 1 3 PRO HG2 H -8.525 -2.270 0.741 1.00 . A A . 2 PRO HG2 1 1 20 10311 1 1 3 PRO HG3 H -9.290 -0.741 0.265 1.00 . A A . 2 PRO HG3 1 1 20 10312 1 1 3 PRO N N -9.990 -3.385 -1.443 1.00 . A A . 2 PRO N 1 1 20 10313 1 1 3 PRO O O -7.594 -4.692 -0.628 1.00 . A A . 2 PRO O 1 1 20 10314 1 1 4 THR C C -4.538 -4.676 -2.003 1.00 . A A . 3 THR C 1 1 20 10315 1 1 4 THR CA C -5.761 -5.390 -2.558 1.00 . A A . 3 THR CA 1 1 20 10316 1 1 4 THR CB C -5.406 -6.051 -3.899 1.00 . A A . 3 THR CB 1 1 20 10317 1 1 4 THR CG2 C -4.415 -7.185 -3.698 1.00 . A A . 3 THR CG2 1 1 20 10318 1 1 4 THR H H -6.973 -4.023 -3.599 1.00 . A A . 3 THR H 1 1 20 10319 1 1 4 THR HA H -6.073 -6.156 -1.865 1.00 . A A . 3 THR HA 1 1 20 10320 1 1 4 THR HB H -4.958 -5.310 -4.542 1.00 . A A . 3 THR HB 1 1 20 10321 1 1 4 THR HG1 H -7.186 -6.910 -3.838 1.00 . A A . 3 THR HG1 1 1 20 10322 1 1 4 THR HG21 H -3.525 -6.802 -3.221 1.00 . A A . 3 THR HG21 1 1 20 10323 1 1 4 THR HG22 H -4.156 -7.609 -4.655 1.00 . A A . 3 THR HG22 1 1 20 10324 1 1 4 THR HG23 H -4.860 -7.944 -3.074 1.00 . A A . 3 THR HG23 1 1 20 10325 1 1 4 THR N N -6.841 -4.446 -2.724 1.00 . A A . 3 THR N 1 1 20 10326 1 1 4 THR O O -4.231 -3.555 -2.415 1.00 . A A . 3 THR O 1 1 20 10327 1 1 4 THR OG1 O -6.595 -6.558 -4.518 1.00 . A A . 3 THR OG1 1 1 20 10328 1 1 5 LYS C C -1.589 -4.591 -1.569 1.00 . A A . 4 LYS C 1 1 20 10329 1 1 5 LYS CA C -2.652 -4.739 -0.484 1.00 . A A . 4 LYS CA 1 1 20 10330 1 1 5 LYS CB C -2.137 -5.611 0.661 1.00 . A A . 4 LYS CB 1 1 20 10331 1 1 5 LYS CD C -2.480 -6.421 3.016 1.00 . A A . 4 LYS CD 1 1 20 10332 1 1 5 LYS CE C -2.085 -7.842 2.645 1.00 . A A . 4 LYS CE 1 1 20 10333 1 1 5 LYS CG C -3.091 -5.679 1.842 1.00 . A A . 4 LYS CG 1 1 20 10334 1 1 5 LYS H H -4.175 -6.183 -0.741 1.00 . A A . 4 LYS H 1 1 20 10335 1 1 5 LYS HA H -2.901 -3.762 -0.099 1.00 . A A . 4 LYS HA 1 1 20 10336 1 1 5 LYS HB2 H -1.985 -6.615 0.291 1.00 . A A . 4 LYS HB2 1 1 20 10337 1 1 5 LYS HB3 H -1.193 -5.213 1.010 1.00 . A A . 4 LYS HB3 1 1 20 10338 1 1 5 LYS HD2 H -1.603 -5.887 3.342 1.00 . A A . 4 LYS HD2 1 1 20 10339 1 1 5 LYS HD3 H -3.202 -6.456 3.818 1.00 . A A . 4 LYS HD3 1 1 20 10340 1 1 5 LYS HE2 H -2.970 -8.385 2.351 1.00 . A A . 4 LYS HE2 1 1 20 10341 1 1 5 LYS HE3 H -1.394 -7.806 1.815 1.00 . A A . 4 LYS HE3 1 1 20 10342 1 1 5 LYS HG2 H -3.331 -4.674 2.155 1.00 . A A . 4 LYS HG2 1 1 20 10343 1 1 5 LYS HG3 H -3.993 -6.186 1.534 1.00 . A A . 4 LYS HG3 1 1 20 10344 1 1 5 LYS HZ1 H -2.089 -8.598 4.589 1.00 . A A . 4 LYS HZ1 1 1 20 10345 1 1 5 LYS HZ2 H -0.578 -8.044 4.071 1.00 . A A . 4 LYS HZ2 1 1 20 10346 1 1 5 LYS HZ3 H -1.180 -9.516 3.498 1.00 . A A . 4 LYS HZ3 1 1 20 10347 1 1 5 LYS N N -3.861 -5.309 -1.055 1.00 . A A . 4 LYS N 1 1 20 10348 1 1 5 LYS NZ N -1.440 -8.549 3.778 1.00 . A A . 4 LYS NZ 1 1 20 10349 1 1 5 LYS O O -1.570 -5.370 -2.527 1.00 . A A . 4 LYS O 1 1 20 10350 1 1 6 PRO C C 1.195 -4.481 -2.782 1.00 . A A . 5 PRO C 1 1 20 10351 1 1 6 PRO CA C 0.291 -3.294 -2.482 1.00 . A A . 5 PRO CA 1 1 20 10352 1 1 6 PRO CB C 1.106 -2.140 -1.894 1.00 . A A . 5 PRO CB 1 1 20 10353 1 1 6 PRO CD C -0.573 -2.685 -0.289 1.00 . A A . 5 PRO CD 1 1 20 10354 1 1 6 PRO CG C 0.245 -1.548 -0.835 1.00 . A A . 5 PRO CG 1 1 20 10355 1 1 6 PRO HA H -0.182 -2.971 -3.397 1.00 . A A . 5 PRO HA 1 1 20 10356 1 1 6 PRO HB2 H 2.029 -2.522 -1.477 1.00 . A A . 5 PRO HB2 1 1 20 10357 1 1 6 PRO HB3 H 1.314 -1.405 -2.657 1.00 . A A . 5 PRO HB3 1 1 20 10358 1 1 6 PRO HD2 H -0.052 -3.171 0.525 1.00 . A A . 5 PRO HD2 1 1 20 10359 1 1 6 PRO HD3 H -1.543 -2.334 0.034 1.00 . A A . 5 PRO HD3 1 1 20 10360 1 1 6 PRO HG2 H 0.868 -1.115 -0.060 1.00 . A A . 5 PRO HG2 1 1 20 10361 1 1 6 PRO HG3 H -0.405 -0.798 -1.267 1.00 . A A . 5 PRO HG3 1 1 20 10362 1 1 6 PRO N N -0.700 -3.592 -1.447 1.00 . A A . 5 PRO N 1 1 20 10363 1 1 6 PRO O O 1.659 -5.171 -1.873 1.00 . A A . 5 PRO O 1 1 20 10364 1 1 7 THR C C 3.756 -5.402 -4.336 1.00 . A A . 6 THR C 1 1 20 10365 1 1 7 THR CA C 2.292 -5.797 -4.506 1.00 . A A . 6 THR CA 1 1 20 10366 1 1 7 THR CB C 2.003 -6.140 -5.974 1.00 . A A . 6 THR CB 1 1 20 10367 1 1 7 THR CG2 C 2.600 -7.485 -6.353 1.00 . A A . 6 THR CG2 1 1 20 10368 1 1 7 THR H H 1.004 -4.142 -4.738 1.00 . A A . 6 THR H 1 1 20 10369 1 1 7 THR HA H 2.085 -6.663 -3.901 1.00 . A A . 6 THR HA 1 1 20 10370 1 1 7 THR HB H 2.436 -5.375 -6.599 1.00 . A A . 6 THR HB 1 1 20 10371 1 1 7 THR HG1 H 0.173 -6.692 -5.478 1.00 . A A . 6 THR HG1 1 1 20 10372 1 1 7 THR HG21 H 3.670 -7.453 -6.220 1.00 . A A . 6 THR HG21 1 1 20 10373 1 1 7 THR HG22 H 2.370 -7.702 -7.386 1.00 . A A . 6 THR HG22 1 1 20 10374 1 1 7 THR HG23 H 2.182 -8.254 -5.721 1.00 . A A . 6 THR HG23 1 1 20 10375 1 1 7 THR N N 1.431 -4.714 -4.064 1.00 . A A . 6 THR N 1 1 20 10376 1 1 7 THR O O 4.664 -6.227 -4.444 1.00 . A A . 6 THR O 1 1 20 10377 1 1 7 THR OG1 O 0.585 -6.174 -6.183 1.00 . A A . 6 THR OG1 1 1 20 10378 1 1 8 LYS C C 5.833 -4.189 -2.497 1.00 . A A . 7 LYS C 1 1 20 10379 1 1 8 LYS CA C 5.293 -3.593 -3.794 1.00 . A A . 7 LYS CA 1 1 20 10380 1 1 8 LYS CB C 5.229 -2.067 -3.686 1.00 . A A . 7 LYS CB 1 1 20 10381 1 1 8 LYS CD C 4.471 0.103 -4.703 1.00 . A A . 7 LYS CD 1 1 20 10382 1 1 8 LYS CE C 3.868 0.777 -5.926 1.00 . A A . 7 LYS CE 1 1 20 10383 1 1 8 LYS CG C 4.684 -1.387 -4.932 1.00 . A A . 7 LYS CG 1 1 20 10384 1 1 8 LYS H H 3.202 -3.516 -4.040 1.00 . A A . 7 LYS H 1 1 20 10385 1 1 8 LYS HA H 5.943 -3.869 -4.609 1.00 . A A . 7 LYS HA 1 1 20 10386 1 1 8 LYS HB2 H 4.595 -1.804 -2.854 1.00 . A A . 7 LYS HB2 1 1 20 10387 1 1 8 LYS HB3 H 6.223 -1.689 -3.502 1.00 . A A . 7 LYS HB3 1 1 20 10388 1 1 8 LYS HD2 H 3.802 0.236 -3.865 1.00 . A A . 7 LYS HD2 1 1 20 10389 1 1 8 LYS HD3 H 5.424 0.565 -4.480 1.00 . A A . 7 LYS HD3 1 1 20 10390 1 1 8 LYS HE2 H 3.725 1.825 -5.706 1.00 . A A . 7 LYS HE2 1 1 20 10391 1 1 8 LYS HE3 H 4.552 0.675 -6.754 1.00 . A A . 7 LYS HE3 1 1 20 10392 1 1 8 LYS HG2 H 5.390 -1.521 -5.740 1.00 . A A . 7 LYS HG2 1 1 20 10393 1 1 8 LYS HG3 H 3.738 -1.843 -5.196 1.00 . A A . 7 LYS HG3 1 1 20 10394 1 1 8 LYS HZ1 H 2.152 0.691 -7.115 1.00 . A A . 7 LYS HZ1 1 1 20 10395 1 1 8 LYS HZ2 H 1.888 0.245 -5.502 1.00 . A A . 7 LYS HZ2 1 1 20 10396 1 1 8 LYS HZ3 H 2.676 -0.818 -6.560 1.00 . A A . 7 LYS HZ3 1 1 20 10397 1 1 8 LYS N N 3.968 -4.122 -4.066 1.00 . A A . 7 LYS N 1 1 20 10398 1 1 8 LYS NZ N 2.558 0.183 -6.303 1.00 . A A . 7 LYS NZ 1 1 20 10399 1 1 8 LYS O O 5.069 -4.435 -1.563 1.00 . A A . 7 LYS O 1 1 20 10400 1 1 9 PRO C C 7.701 -4.103 -0.034 1.00 . A A . 8 PRO C 1 1 20 10401 1 1 9 PRO CA C 7.771 -5.034 -1.240 1.00 . A A . 8 PRO CA 1 1 20 10402 1 1 9 PRO CB C 9.223 -5.253 -1.671 1.00 . A A . 8 PRO CB 1 1 20 10403 1 1 9 PRO CD C 8.125 -4.190 -3.500 1.00 . A A . 8 PRO CD 1 1 20 10404 1 1 9 PRO CG C 9.443 -4.285 -2.778 1.00 . A A . 8 PRO CG 1 1 20 10405 1 1 9 PRO HA H 7.322 -5.982 -0.986 1.00 . A A . 8 PRO HA 1 1 20 10406 1 1 9 PRO HB2 H 9.886 -5.052 -0.840 1.00 . A A . 8 PRO HB2 1 1 20 10407 1 1 9 PRO HB3 H 9.356 -6.263 -2.024 1.00 . A A . 8 PRO HB3 1 1 20 10408 1 1 9 PRO HD2 H 7.990 -3.202 -3.919 1.00 . A A . 8 PRO HD2 1 1 20 10409 1 1 9 PRO HD3 H 8.057 -4.946 -4.273 1.00 . A A . 8 PRO HD3 1 1 20 10410 1 1 9 PRO HG2 H 9.722 -3.325 -2.366 1.00 . A A . 8 PRO HG2 1 1 20 10411 1 1 9 PRO HG3 H 10.210 -4.647 -3.446 1.00 . A A . 8 PRO HG3 1 1 20 10412 1 1 9 PRO N N 7.146 -4.448 -2.429 1.00 . A A . 8 PRO N 1 1 20 10413 1 1 9 PRO O O 7.929 -2.898 -0.150 1.00 . A A . 8 PRO O 1 1 20 10414 1 1 10 GLY C C 7.685 -4.598 3.566 1.00 . A A . 9 GLY C 1 1 20 10415 1 1 10 GLY CA C 7.246 -3.865 2.318 1.00 . A A . 9 GLY CA 1 1 20 10416 1 1 10 GLY H H 7.235 -5.636 1.160 1.00 . A A . 9 GLY H 1 1 20 10417 1 1 10 GLY HA2 H 7.845 -2.975 2.210 1.00 . A A . 9 GLY HA2 1 1 20 10418 1 1 10 GLY HA3 H 6.212 -3.580 2.428 1.00 . A A . 9 GLY HA3 1 1 20 10419 1 1 10 GLY N N 7.382 -4.666 1.121 1.00 . A A . 9 GLY N 1 1 20 10420 1 1 10 GLY O O 7.216 -4.304 4.665 1.00 . A A . 9 GLY O 1 1 20 10421 1 1 11 ASP C C 10.551 -6.003 4.792 1.00 . A A . 10 ASP C 1 1 20 10422 1 1 11 ASP CA C 9.092 -6.332 4.526 1.00 . A A . 10 ASP CA 1 1 20 10423 1 1 11 ASP CB C 8.932 -7.834 4.271 1.00 . A A . 10 ASP CB 1 1 20 10424 1 1 11 ASP CG C 7.481 -8.259 4.212 1.00 . A A . 10 ASP CG 1 1 20 10425 1 1 11 ASP H H 8.924 -5.738 2.498 1.00 . A A . 10 ASP H 1 1 20 10426 1 1 11 ASP HA H 8.513 -6.063 5.394 1.00 . A A . 10 ASP HA 1 1 20 10427 1 1 11 ASP HB2 H 9.399 -8.084 3.330 1.00 . A A . 10 ASP HB2 1 1 20 10428 1 1 11 ASP HB3 H 9.418 -8.381 5.065 1.00 . A A . 10 ASP HB3 1 1 20 10429 1 1 11 ASP N N 8.587 -5.553 3.399 1.00 . A A . 10 ASP N 1 1 20 10430 1 1 11 ASP O O 10.890 -5.431 5.825 1.00 . A A . 10 ASP O 1 1 20 10431 1 1 11 ASP OD1 O 6.894 -8.535 5.279 1.00 . A A . 10 ASP OD1 1 1 20 10432 1 1 11 ASP OD2 O 6.914 -8.308 3.100 1.00 . A A . 10 ASP OD2 1 1 20 10433 1 1 12 ASN C C 13.275 -5.184 2.801 1.00 . A A . 11 ASN C 1 1 20 10434 1 1 12 ASN CA C 12.837 -6.072 3.955 1.00 . A A . 11 ASN CA 1 1 20 10435 1 1 12 ASN CB C 13.659 -7.368 3.955 1.00 . A A . 11 ASN CB 1 1 20 10436 1 1 12 ASN CG C 13.378 -8.246 5.160 1.00 . A A . 11 ASN CG 1 1 20 10437 1 1 12 ASN H H 11.072 -6.819 3.050 1.00 . A A . 11 ASN H 1 1 20 10438 1 1 12 ASN HA H 13.003 -5.548 4.882 1.00 . A A . 11 ASN HA 1 1 20 10439 1 1 12 ASN HB2 H 13.435 -7.930 3.062 1.00 . A A . 11 ASN HB2 1 1 20 10440 1 1 12 ASN HB3 H 14.709 -7.114 3.956 1.00 . A A . 11 ASN HB3 1 1 20 10441 1 1 12 ASN HD21 H 11.985 -9.243 4.153 1.00 . A A . 11 ASN HD21 1 1 20 10442 1 1 12 ASN HD22 H 12.243 -9.750 5.786 1.00 . A A . 11 ASN HD22 1 1 20 10443 1 1 12 ASN N N 11.409 -6.356 3.847 1.00 . A A . 11 ASN N 1 1 20 10444 1 1 12 ASN ND2 N 12.442 -9.172 5.019 1.00 . A A . 11 ASN ND2 1 1 20 10445 1 1 12 ASN O O 14.446 -5.175 2.411 1.00 . A A . 11 ASN O 1 1 20 10446 1 1 12 ASN OD1 O 14.007 -8.100 6.209 1.00 . A A . 11 ASN OD1 1 1 20 10447 1 1 13 ALA C C 13.496 -2.406 1.505 1.00 . A A . 12 ALA C 1 1 20 10448 1 1 13 ALA CA C 12.577 -3.559 1.132 1.00 . A A . 12 ALA CA 1 1 20 10449 1 1 13 ALA CB C 11.264 -3.027 0.584 1.00 . A A . 12 ALA CB 1 1 20 10450 1 1 13 ALA H H 11.428 -4.459 2.653 1.00 . A A . 12 ALA H 1 1 20 10451 1 1 13 ALA HA H 13.047 -4.143 0.357 1.00 . A A . 12 ALA HA 1 1 20 10452 1 1 13 ALA HB1 H 10.853 -2.304 1.274 1.00 . A A . 12 ALA HB1 1 1 20 10453 1 1 13 ALA HB2 H 10.569 -3.844 0.468 1.00 . A A . 12 ALA HB2 1 1 20 10454 1 1 13 ALA HB3 H 11.436 -2.559 -0.372 1.00 . A A . 12 ALA HB3 1 1 20 10455 1 1 13 ALA N N 12.326 -4.431 2.268 1.00 . A A . 12 ALA N 1 1 20 10456 1 1 13 ALA O O 13.747 -2.147 2.683 1.00 . A A . 12 ALA O 1 1 20 10457 1 1 14 THR C C 14.042 0.609 1.203 1.00 . A A . 13 THR C 1 1 20 10458 1 1 14 THR CA C 14.854 -0.575 0.691 1.00 . A A . 13 THR CA 1 1 20 10459 1 1 14 THR CB C 15.559 -0.200 -0.619 1.00 . A A . 13 THR CB 1 1 20 10460 1 1 14 THR CG2 C 16.577 -1.263 -0.993 1.00 . A A . 13 THR CG2 1 1 20 10461 1 1 14 THR H H 13.784 -2.004 -0.424 1.00 . A A . 13 THR H 1 1 20 10462 1 1 14 THR HA H 15.605 -0.829 1.424 1.00 . A A . 13 THR HA 1 1 20 10463 1 1 14 THR HB H 16.073 0.736 -0.480 1.00 . A A . 13 THR HB 1 1 20 10464 1 1 14 THR HG1 H 15.044 -0.095 -2.523 1.00 . A A . 13 THR HG1 1 1 20 10465 1 1 14 THR HG21 H 17.308 -1.352 -0.204 1.00 . A A . 13 THR HG21 1 1 20 10466 1 1 14 THR HG22 H 17.068 -0.984 -1.913 1.00 . A A . 13 THR HG22 1 1 20 10467 1 1 14 THR HG23 H 16.072 -2.210 -1.125 1.00 . A A . 13 THR HG23 1 1 20 10468 1 1 14 THR N N 13.998 -1.727 0.491 1.00 . A A . 13 THR N 1 1 20 10469 1 1 14 THR O O 12.845 0.704 0.931 1.00 . A A . 13 THR O 1 1 20 10470 1 1 14 THR OG1 O 14.595 -0.062 -1.671 1.00 . A A . 13 THR OG1 1 1 20 10471 1 1 15 PRO C C 13.299 3.520 1.457 1.00 . A A . 14 PRO C 1 1 20 10472 1 1 15 PRO CA C 13.994 2.684 2.526 1.00 . A A . 14 PRO CA 1 1 20 10473 1 1 15 PRO CB C 15.123 3.480 3.200 1.00 . A A . 14 PRO CB 1 1 20 10474 1 1 15 PRO CD C 16.100 1.494 2.309 1.00 . A A . 14 PRO CD 1 1 20 10475 1 1 15 PRO CG C 16.388 2.930 2.648 1.00 . A A . 14 PRO CG 1 1 20 10476 1 1 15 PRO HA H 13.270 2.385 3.268 1.00 . A A . 14 PRO HA 1 1 20 10477 1 1 15 PRO HB2 H 15.025 4.529 2.961 1.00 . A A . 14 PRO HB2 1 1 20 10478 1 1 15 PRO HB3 H 15.096 3.333 4.266 1.00 . A A . 14 PRO HB3 1 1 20 10479 1 1 15 PRO HD2 H 16.702 1.175 1.473 1.00 . A A . 14 PRO HD2 1 1 20 10480 1 1 15 PRO HD3 H 16.270 0.857 3.164 1.00 . A A . 14 PRO HD3 1 1 20 10481 1 1 15 PRO HG2 H 16.667 3.489 1.761 1.00 . A A . 14 PRO HG2 1 1 20 10482 1 1 15 PRO HG3 H 17.166 2.984 3.396 1.00 . A A . 14 PRO HG3 1 1 20 10483 1 1 15 PRO N N 14.676 1.522 1.954 1.00 . A A . 14 PRO N 1 1 20 10484 1 1 15 PRO O O 12.198 4.032 1.677 1.00 . A A . 14 PRO O 1 1 20 10485 1 1 16 GLU C C 12.087 3.689 -1.307 1.00 . A A . 15 GLU C 1 1 20 10486 1 1 16 GLU CA C 13.365 4.367 -0.822 1.00 . A A . 15 GLU CA 1 1 20 10487 1 1 16 GLU CB C 14.373 4.467 -1.966 1.00 . A A . 15 GLU CB 1 1 20 10488 1 1 16 GLU CD C 14.823 5.219 -4.333 1.00 . A A . 15 GLU CD 1 1 20 10489 1 1 16 GLU CG C 13.858 5.245 -3.169 1.00 . A A . 15 GLU CG 1 1 20 10490 1 1 16 GLU H H 14.806 3.193 0.182 1.00 . A A . 15 GLU H 1 1 20 10491 1 1 16 GLU HA H 13.125 5.359 -0.473 1.00 . A A . 15 GLU HA 1 1 20 10492 1 1 16 GLU HB2 H 15.265 4.960 -1.600 1.00 . A A . 15 GLU HB2 1 1 20 10493 1 1 16 GLU HB3 H 14.632 3.471 -2.291 1.00 . A A . 15 GLU HB3 1 1 20 10494 1 1 16 GLU HG2 H 12.918 4.815 -3.489 1.00 . A A . 15 GLU HG2 1 1 20 10495 1 1 16 GLU HG3 H 13.699 6.271 -2.874 1.00 . A A . 15 GLU HG3 1 1 20 10496 1 1 16 GLU N N 13.934 3.629 0.293 1.00 . A A . 15 GLU N 1 1 20 10497 1 1 16 GLU O O 11.068 4.343 -1.543 1.00 . A A . 15 GLU O 1 1 20 10498 1 1 16 GLU OE1 O 14.769 4.265 -5.136 1.00 . A A . 15 GLU OE1 1 1 20 10499 1 1 16 GLU OE2 O 15.640 6.159 -4.459 1.00 . A A . 15 GLU OE2 1 1 20 10500 1 1 17 LYS C C 9.904 1.598 -0.857 1.00 . A A . 16 LYS C 1 1 20 10501 1 1 17 LYS CA C 11.006 1.597 -1.904 1.00 . A A . 16 LYS CA 1 1 20 10502 1 1 17 LYS CB C 11.430 0.161 -2.222 1.00 . A A . 16 LYS CB 1 1 20 10503 1 1 17 LYS CD C 9.907 -0.228 -4.202 1.00 . A A . 16 LYS CD 1 1 20 10504 1 1 17 LYS CE C 11.019 -0.447 -5.215 1.00 . A A . 16 LYS CE 1 1 20 10505 1 1 17 LYS CG C 10.318 -0.696 -2.810 1.00 . A A . 16 LYS CG 1 1 20 10506 1 1 17 LYS H H 12.969 1.902 -1.193 1.00 . A A . 16 LYS H 1 1 20 10507 1 1 17 LYS HA H 10.634 2.067 -2.801 1.00 . A A . 16 LYS HA 1 1 20 10508 1 1 17 LYS HB2 H 12.248 0.184 -2.929 1.00 . A A . 16 LYS HB2 1 1 20 10509 1 1 17 LYS HB3 H 11.770 -0.307 -1.310 1.00 . A A . 16 LYS HB3 1 1 20 10510 1 1 17 LYS HD2 H 9.035 -0.784 -4.515 1.00 . A A . 16 LYS HD2 1 1 20 10511 1 1 17 LYS HD3 H 9.669 0.824 -4.163 1.00 . A A . 16 LYS HD3 1 1 20 10512 1 1 17 LYS HE2 H 11.881 0.130 -4.916 1.00 . A A . 16 LYS HE2 1 1 20 10513 1 1 17 LYS HE3 H 11.277 -1.496 -5.225 1.00 . A A . 16 LYS HE3 1 1 20 10514 1 1 17 LYS HG2 H 10.665 -1.715 -2.877 1.00 . A A . 16 LYS HG2 1 1 20 10515 1 1 17 LYS HG3 H 9.459 -0.649 -2.157 1.00 . A A . 16 LYS HG3 1 1 20 10516 1 1 17 LYS HZ1 H 10.482 0.994 -6.628 1.00 . A A . 16 LYS HZ1 1 1 20 10517 1 1 17 LYS HZ2 H 9.732 -0.503 -6.859 1.00 . A A . 16 LYS HZ2 1 1 20 10518 1 1 17 LYS HZ3 H 11.361 -0.304 -7.269 1.00 . A A . 16 LYS HZ3 1 1 20 10519 1 1 17 LYS N N 12.144 2.369 -1.433 1.00 . A A . 16 LYS N 1 1 20 10520 1 1 17 LYS NZ N 10.621 -0.035 -6.587 1.00 . A A . 16 LYS NZ 1 1 20 10521 1 1 17 LYS O O 8.725 1.723 -1.185 1.00 . A A . 16 LYS O 1 1 20 10522 1 1 18 LEU C C 8.593 2.812 1.561 1.00 . A A . 17 LEU C 1 1 20 10523 1 1 18 LEU CA C 9.355 1.496 1.510 1.00 . A A . 17 LEU CA 1 1 20 10524 1 1 18 LEU CB C 10.069 1.265 2.838 1.00 . A A . 17 LEU CB 1 1 20 10525 1 1 18 LEU CD1 C 11.218 -0.265 4.444 1.00 . A A . 17 LEU CD1 1 1 20 10526 1 1 18 LEU CD2 C 9.351 -1.124 3.027 1.00 . A A . 17 LEU CD2 1 1 20 10527 1 1 18 LEU CG C 10.530 -0.168 3.096 1.00 . A A . 17 LEU CG 1 1 20 10528 1 1 18 LEU H H 11.256 1.356 0.598 1.00 . A A . 17 LEU H 1 1 20 10529 1 1 18 LEU HA H 8.652 0.698 1.350 1.00 . A A . 17 LEU HA 1 1 20 10530 1 1 18 LEU HB2 H 10.935 1.905 2.866 1.00 . A A . 17 LEU HB2 1 1 20 10531 1 1 18 LEU HB3 H 9.403 1.556 3.635 1.00 . A A . 17 LEU HB3 1 1 20 10532 1 1 18 LEU HD11 H 11.536 -1.282 4.615 1.00 . A A . 17 LEU HD11 1 1 20 10533 1 1 18 LEU HD12 H 10.529 0.033 5.221 1.00 . A A . 17 LEU HD12 1 1 20 10534 1 1 18 LEU HD13 H 12.077 0.387 4.454 1.00 . A A . 17 LEU HD13 1 1 20 10535 1 1 18 LEU HD21 H 8.979 -1.162 2.014 1.00 . A A . 17 LEU HD21 1 1 20 10536 1 1 18 LEU HD22 H 8.568 -0.776 3.683 1.00 . A A . 17 LEU HD22 1 1 20 10537 1 1 18 LEU HD23 H 9.668 -2.110 3.334 1.00 . A A . 17 LEU HD23 1 1 20 10538 1 1 18 LEU HG H 11.242 -0.453 2.335 1.00 . A A . 17 LEU HG 1 1 20 10539 1 1 18 LEU N N 10.299 1.478 0.405 1.00 . A A . 17 LEU N 1 1 20 10540 1 1 18 LEU O O 7.420 2.837 1.914 1.00 . A A . 17 LEU O 1 1 20 10541 1 1 19 ALA C C 7.491 5.220 0.153 1.00 . A A . 18 ALA C 1 1 20 10542 1 1 19 ALA CA C 8.619 5.204 1.175 1.00 . A A . 18 ALA CA 1 1 20 10543 1 1 19 ALA CB C 9.636 6.285 0.864 1.00 . A A . 18 ALA CB 1 1 20 10544 1 1 19 ALA H H 10.205 3.827 0.958 1.00 . A A . 18 ALA H 1 1 20 10545 1 1 19 ALA HA H 8.209 5.394 2.154 1.00 . A A . 18 ALA HA 1 1 20 10546 1 1 19 ALA HB1 H 10.425 6.259 1.600 1.00 . A A . 18 ALA HB1 1 1 20 10547 1 1 19 ALA HB2 H 9.152 7.249 0.885 1.00 . A A . 18 ALA HB2 1 1 20 10548 1 1 19 ALA HB3 H 10.053 6.111 -0.117 1.00 . A A . 18 ALA HB3 1 1 20 10549 1 1 19 ALA N N 9.259 3.901 1.204 1.00 . A A . 18 ALA N 1 1 20 10550 1 1 19 ALA O O 6.402 5.734 0.416 1.00 . A A . 18 ALA O 1 1 20 10551 1 1 20 LYS C C 5.665 3.535 -1.622 1.00 . A A . 19 LYS C 1 1 20 10552 1 1 20 LYS CA C 6.747 4.520 -2.048 1.00 . A A . 19 LYS CA 1 1 20 10553 1 1 20 LYS CB C 7.393 4.071 -3.360 1.00 . A A . 19 LYS CB 1 1 20 10554 1 1 20 LYS CD C 7.109 3.539 -5.804 1.00 . A A . 19 LYS CD 1 1 20 10555 1 1 20 LYS CE C 8.067 4.619 -6.282 1.00 . A A . 19 LYS CE 1 1 20 10556 1 1 20 LYS CG C 6.411 3.943 -4.515 1.00 . A A . 19 LYS CG 1 1 20 10557 1 1 20 LYS H H 8.652 4.270 -1.165 1.00 . A A . 19 LYS H 1 1 20 10558 1 1 20 LYS HA H 6.299 5.492 -2.187 1.00 . A A . 19 LYS HA 1 1 20 10559 1 1 20 LYS HB2 H 8.149 4.788 -3.634 1.00 . A A . 19 LYS HB2 1 1 20 10560 1 1 20 LYS HB3 H 7.860 3.110 -3.206 1.00 . A A . 19 LYS HB3 1 1 20 10561 1 1 20 LYS HD2 H 7.666 2.630 -5.629 1.00 . A A . 19 LYS HD2 1 1 20 10562 1 1 20 LYS HD3 H 6.365 3.367 -6.567 1.00 . A A . 19 LYS HD3 1 1 20 10563 1 1 20 LYS HE2 H 7.505 5.519 -6.479 1.00 . A A . 19 LYS HE2 1 1 20 10564 1 1 20 LYS HE3 H 8.792 4.810 -5.506 1.00 . A A . 19 LYS HE3 1 1 20 10565 1 1 20 LYS HG2 H 5.674 3.192 -4.267 1.00 . A A . 19 LYS HG2 1 1 20 10566 1 1 20 LYS HG3 H 5.921 4.895 -4.665 1.00 . A A . 19 LYS HG3 1 1 20 10567 1 1 20 LYS HZ1 H 8.101 4.012 -8.279 1.00 . A A . 19 LYS HZ1 1 1 20 10568 1 1 20 LYS HZ2 H 9.357 3.369 -7.345 1.00 . A A . 19 LYS HZ2 1 1 20 10569 1 1 20 LYS HZ3 H 9.411 4.985 -7.835 1.00 . A A . 19 LYS HZ3 1 1 20 10570 1 1 20 LYS N N 7.755 4.636 -1.007 1.00 . A A . 19 LYS N 1 1 20 10571 1 1 20 LYS NZ N 8.783 4.218 -7.521 1.00 . A A . 19 LYS NZ 1 1 20 10572 1 1 20 LYS O O 4.481 3.737 -1.890 1.00 . A A . 19 LYS O 1 1 20 10573 1 1 21 TYR C C 4.212 2.148 0.588 1.00 . A A . 20 TYR C 1 1 20 10574 1 1 21 TYR CA C 5.162 1.492 -0.404 1.00 . A A . 20 TYR CA 1 1 20 10575 1 1 21 TYR CB C 5.935 0.358 0.275 1.00 . A A . 20 TYR CB 1 1 20 10576 1 1 21 TYR CD1 C 4.462 -1.687 0.137 1.00 . A A . 20 TYR CD1 1 1 20 10577 1 1 21 TYR CD2 C 4.805 -0.696 2.276 1.00 . A A . 20 TYR CD2 1 1 20 10578 1 1 21 TYR CE1 C 3.648 -2.647 0.709 1.00 . A A . 20 TYR CE1 1 1 20 10579 1 1 21 TYR CE2 C 3.996 -1.654 2.854 1.00 . A A . 20 TYR CE2 1 1 20 10580 1 1 21 TYR CG C 5.052 -0.696 0.908 1.00 . A A . 20 TYR CG 1 1 20 10581 1 1 21 TYR CZ C 3.419 -2.627 2.066 1.00 . A A . 20 TYR CZ 1 1 20 10582 1 1 21 TYR H H 7.049 2.350 -0.803 1.00 . A A . 20 TYR H 1 1 20 10583 1 1 21 TYR HA H 4.589 1.088 -1.225 1.00 . A A . 20 TYR HA 1 1 20 10584 1 1 21 TYR HB2 H 6.559 -0.131 -0.459 1.00 . A A . 20 TYR HB2 1 1 20 10585 1 1 21 TYR HB3 H 6.557 0.779 1.051 1.00 . A A . 20 TYR HB3 1 1 20 10586 1 1 21 TYR HD1 H 4.646 -1.702 -0.926 1.00 . A A . 20 TYR HD1 1 1 20 10587 1 1 21 TYR HD2 H 5.259 0.068 2.892 1.00 . A A . 20 TYR HD2 1 1 20 10588 1 1 21 TYR HE1 H 3.200 -3.411 0.091 1.00 . A A . 20 TYR HE1 1 1 20 10589 1 1 21 TYR HE2 H 3.817 -1.637 3.919 1.00 . A A . 20 TYR HE2 1 1 20 10590 1 1 21 TYR HH H 2.765 -4.434 2.211 1.00 . A A . 20 TYR HH 1 1 20 10591 1 1 21 TYR N N 6.085 2.477 -0.941 1.00 . A A . 20 TYR N 1 1 20 10592 1 1 21 TYR O O 3.022 1.854 0.602 1.00 . A A . 20 TYR O 1 1 20 10593 1 1 21 TYR OH O 2.607 -3.581 2.638 1.00 . A A . 20 TYR OH 1 1 20 10594 1 1 22 GLN C C 2.898 4.638 1.673 1.00 . A A . 21 GLN C 1 1 20 10595 1 1 22 GLN CA C 3.946 3.787 2.374 1.00 . A A . 21 GLN CA 1 1 20 10596 1 1 22 GLN CB C 4.838 4.672 3.248 1.00 . A A . 21 GLN CB 1 1 20 10597 1 1 22 GLN CD C 6.713 4.788 4.937 1.00 . A A . 21 GLN CD 1 1 20 10598 1 1 22 GLN CG C 5.736 3.894 4.197 1.00 . A A . 21 GLN CG 1 1 20 10599 1 1 22 GLN H H 5.715 3.222 1.356 1.00 . A A . 21 GLN H 1 1 20 10600 1 1 22 GLN HA H 3.442 3.068 3.000 1.00 . A A . 21 GLN HA 1 1 20 10601 1 1 22 GLN HB2 H 5.467 5.274 2.610 1.00 . A A . 21 GLN HB2 1 1 20 10602 1 1 22 GLN HB3 H 4.212 5.323 3.835 1.00 . A A . 21 GLN HB3 1 1 20 10603 1 1 22 GLN HE21 H 8.031 3.304 5.063 1.00 . A A . 21 GLN HE21 1 1 20 10604 1 1 22 GLN HE22 H 8.517 4.806 5.772 1.00 . A A . 21 GLN HE22 1 1 20 10605 1 1 22 GLN HG2 H 5.118 3.385 4.921 1.00 . A A . 21 GLN HG2 1 1 20 10606 1 1 22 GLN HG3 H 6.295 3.167 3.626 1.00 . A A . 21 GLN HG3 1 1 20 10607 1 1 22 GLN N N 4.747 3.051 1.404 1.00 . A A . 21 GLN N 1 1 20 10608 1 1 22 GLN NE2 N 7.869 4.246 5.293 1.00 . A A . 21 GLN NE2 1 1 20 10609 1 1 22 GLN O O 1.750 4.700 2.107 1.00 . A A . 21 GLN O 1 1 20 10610 1 1 22 GLN OE1 O 6.428 5.961 5.192 1.00 . A A . 21 GLN OE1 1 1 20 10611 1 1 23 ALA C C 1.283 5.283 -0.830 1.00 . A A . 22 ALA C 1 1 20 10612 1 1 23 ALA CA C 2.386 6.114 -0.188 1.00 . A A . 22 ALA CA 1 1 20 10613 1 1 23 ALA CB C 3.154 6.882 -1.250 1.00 . A A . 22 ALA CB 1 1 20 10614 1 1 23 ALA H H 4.216 5.160 0.266 1.00 . A A . 22 ALA H 1 1 20 10615 1 1 23 ALA HA H 1.941 6.824 0.491 1.00 . A A . 22 ALA HA 1 1 20 10616 1 1 23 ALA HB1 H 2.469 7.499 -1.813 1.00 . A A . 22 ALA HB1 1 1 20 10617 1 1 23 ALA HB2 H 3.643 6.185 -1.915 1.00 . A A . 22 ALA HB2 1 1 20 10618 1 1 23 ALA HB3 H 3.895 7.506 -0.775 1.00 . A A . 22 ALA HB3 1 1 20 10619 1 1 23 ALA N N 3.292 5.268 0.575 1.00 . A A . 22 ALA N 1 1 20 10620 1 1 23 ALA O O 0.123 5.700 -0.889 1.00 . A A . 22 ALA O 1 1 20 10621 1 1 24 ASP C C -0.174 2.531 -0.880 1.00 . A A . 23 ASP C 1 1 20 10622 1 1 24 ASP CA C 0.703 3.202 -1.937 1.00 . A A . 23 ASP CA 1 1 20 10623 1 1 24 ASP CB C 1.458 2.158 -2.768 1.00 . A A . 23 ASP CB 1 1 20 10624 1 1 24 ASP CG C 0.567 1.403 -3.735 1.00 . A A . 23 ASP CG 1 1 20 10625 1 1 24 ASP H H 2.591 3.830 -1.209 1.00 . A A . 23 ASP H 1 1 20 10626 1 1 24 ASP HA H 0.076 3.793 -2.589 1.00 . A A . 23 ASP HA 1 1 20 10627 1 1 24 ASP HB2 H 2.228 2.654 -3.342 1.00 . A A . 23 ASP HB2 1 1 20 10628 1 1 24 ASP HB3 H 1.920 1.442 -2.099 1.00 . A A . 23 ASP HB3 1 1 20 10629 1 1 24 ASP N N 1.651 4.103 -1.295 1.00 . A A . 23 ASP N 1 1 20 10630 1 1 24 ASP O O -1.360 2.278 -1.098 1.00 . A A . 23 ASP O 1 1 20 10631 1 1 24 ASP OD1 O 0.913 0.258 -4.091 1.00 . A A . 23 ASP OD1 1 1 20 10632 1 1 24 ASP OD2 O -0.459 1.966 -4.172 1.00 . A A . 23 ASP OD2 1 1 20 10633 1 1 25 LEU C C -1.288 2.793 1.927 1.00 . A A . 24 LEU C 1 1 20 10634 1 1 25 LEU CA C -0.304 1.735 1.426 1.00 . A A . 24 LEU CA 1 1 20 10635 1 1 25 LEU CB C 0.694 1.320 2.530 1.00 . A A . 24 LEU CB 1 1 20 10636 1 1 25 LEU CD1 C -0.620 1.337 4.684 1.00 . A A . 24 LEU CD1 1 1 20 10637 1 1 25 LEU CD2 C -0.741 -0.640 3.174 1.00 . A A . 24 LEU CD2 1 1 20 10638 1 1 25 LEU CG C 0.144 0.478 3.694 1.00 . A A . 24 LEU CG 1 1 20 10639 1 1 25 LEU H H 1.393 2.407 0.352 1.00 . A A . 24 LEU H 1 1 20 10640 1 1 25 LEU HA H -0.861 0.867 1.104 1.00 . A A . 24 LEU HA 1 1 20 10641 1 1 25 LEU HB2 H 1.491 0.757 2.067 1.00 . A A . 24 LEU HB2 1 1 20 10642 1 1 25 LEU HB3 H 1.118 2.221 2.947 1.00 . A A . 24 LEU HB3 1 1 20 10643 1 1 25 LEU HD11 H -1.460 1.798 4.184 1.00 . A A . 24 LEU HD11 1 1 20 10644 1 1 25 LEU HD12 H 0.033 2.105 5.071 1.00 . A A . 24 LEU HD12 1 1 20 10645 1 1 25 LEU HD13 H -0.977 0.722 5.496 1.00 . A A . 24 LEU HD13 1 1 20 10646 1 1 25 LEU HD21 H -1.607 -0.215 2.691 1.00 . A A . 24 LEU HD21 1 1 20 10647 1 1 25 LEU HD22 H -1.059 -1.261 3.999 1.00 . A A . 24 LEU HD22 1 1 20 10648 1 1 25 LEU HD23 H -0.189 -1.237 2.465 1.00 . A A . 24 LEU HD23 1 1 20 10649 1 1 25 LEU HG H 0.972 0.028 4.221 1.00 . A A . 24 LEU HG 1 1 20 10650 1 1 25 LEU N N 0.424 2.257 0.273 1.00 . A A . 24 LEU N 1 1 20 10651 1 1 25 LEU O O -2.395 2.479 2.356 1.00 . A A . 24 LEU O 1 1 20 10652 1 1 26 ALA C C -2.956 5.231 1.312 1.00 . A A . 25 ALA C 1 1 20 10653 1 1 26 ALA CA C -1.732 5.174 2.220 1.00 . A A . 25 ALA CA 1 1 20 10654 1 1 26 ALA CB C -0.951 6.474 2.145 1.00 . A A . 25 ALA CB 1 1 20 10655 1 1 26 ALA H H 0.049 4.234 1.574 1.00 . A A . 25 ALA H 1 1 20 10656 1 1 26 ALA HA H -2.054 5.032 3.240 1.00 . A A . 25 ALA HA 1 1 20 10657 1 1 26 ALA HB1 H -0.067 6.396 2.761 1.00 . A A . 25 ALA HB1 1 1 20 10658 1 1 26 ALA HB2 H -1.567 7.286 2.499 1.00 . A A . 25 ALA HB2 1 1 20 10659 1 1 26 ALA HB3 H -0.661 6.659 1.120 1.00 . A A . 25 ALA HB3 1 1 20 10660 1 1 26 ALA N N -0.873 4.053 1.858 1.00 . A A . 25 ALA N 1 1 20 10661 1 1 26 ALA O O -4.061 5.551 1.757 1.00 . A A . 25 ALA O 1 1 20 10662 1 1 27 LYS C C -4.778 3.684 -0.508 1.00 . A A . 26 LYS C 1 1 20 10663 1 1 27 LYS CA C -3.843 4.816 -0.919 1.00 . A A . 26 LYS CA 1 1 20 10664 1 1 27 LYS CB C -3.297 4.551 -2.326 1.00 . A A . 26 LYS CB 1 1 20 10665 1 1 27 LYS CD C -5.079 5.730 -3.658 1.00 . A A . 26 LYS CD 1 1 20 10666 1 1 27 LYS CE C -6.222 5.560 -4.646 1.00 . A A . 26 LYS CE 1 1 20 10667 1 1 27 LYS CG C -4.375 4.412 -3.391 1.00 . A A . 26 LYS CG 1 1 20 10668 1 1 27 LYS H H -1.829 4.767 -0.270 1.00 . A A . 26 LYS H 1 1 20 10669 1 1 27 LYS HA H -4.389 5.746 -0.914 1.00 . A A . 26 LYS HA 1 1 20 10670 1 1 27 LYS HB2 H -2.648 5.366 -2.605 1.00 . A A . 26 LYS HB2 1 1 20 10671 1 1 27 LYS HB3 H -2.721 3.638 -2.309 1.00 . A A . 26 LYS HB3 1 1 20 10672 1 1 27 LYS HD2 H -5.472 6.113 -2.729 1.00 . A A . 26 LYS HD2 1 1 20 10673 1 1 27 LYS HD3 H -4.364 6.431 -4.065 1.00 . A A . 26 LYS HD3 1 1 20 10674 1 1 27 LYS HE2 H -6.948 4.886 -4.220 1.00 . A A . 26 LYS HE2 1 1 20 10675 1 1 27 LYS HE3 H -6.682 6.523 -4.814 1.00 . A A . 26 LYS HE3 1 1 20 10676 1 1 27 LYS HG2 H -3.919 4.069 -4.306 1.00 . A A . 26 LYS HG2 1 1 20 10677 1 1 27 LYS HG3 H -5.103 3.688 -3.056 1.00 . A A . 26 LYS HG3 1 1 20 10678 1 1 27 LYS HZ1 H -5.337 4.074 -5.814 1.00 . A A . 26 LYS HZ1 1 1 20 10679 1 1 27 LYS HZ2 H -5.061 5.641 -6.377 1.00 . A A . 26 LYS HZ2 1 1 20 10680 1 1 27 LYS HZ3 H -6.570 4.920 -6.600 1.00 . A A . 26 LYS HZ3 1 1 20 10681 1 1 27 LYS N N -2.749 4.922 0.037 1.00 . A A . 26 LYS N 1 1 20 10682 1 1 27 LYS NZ N -5.765 5.010 -5.949 1.00 . A A . 26 LYS NZ 1 1 20 10683 1 1 27 LYS O O -6.002 3.814 -0.561 1.00 . A A . 26 LYS O 1 1 20 10684 1 1 28 TYR C C -5.755 1.790 1.608 1.00 . A A . 27 TYR C 1 1 20 10685 1 1 28 TYR CA C -4.906 1.422 0.396 1.00 . A A . 27 TYR CA 1 1 20 10686 1 1 28 TYR CB C -3.908 0.308 0.741 1.00 . A A . 27 TYR CB 1 1 20 10687 1 1 28 TYR CD1 C -5.085 -1.929 0.686 1.00 . A A . 27 TYR CD1 1 1 20 10688 1 1 28 TYR CD2 C -4.502 -1.018 2.809 1.00 . A A . 27 TYR CD2 1 1 20 10689 1 1 28 TYR CE1 C -5.643 -3.028 1.304 1.00 . A A . 27 TYR CE1 1 1 20 10690 1 1 28 TYR CE2 C -5.058 -2.119 3.434 1.00 . A A . 27 TYR CE2 1 1 20 10691 1 1 28 TYR CG C -4.505 -0.904 1.426 1.00 . A A . 27 TYR CG 1 1 20 10692 1 1 28 TYR CZ C -5.570 -3.142 2.689 1.00 . A A . 27 TYR CZ 1 1 20 10693 1 1 28 TYR H H -3.191 2.556 -0.088 1.00 . A A . 27 TYR H 1 1 20 10694 1 1 28 TYR HA H -5.554 1.086 -0.397 1.00 . A A . 27 TYR HA 1 1 20 10695 1 1 28 TYR HB2 H -3.439 -0.031 -0.168 1.00 . A A . 27 TYR HB2 1 1 20 10696 1 1 28 TYR HB3 H -3.151 0.715 1.393 1.00 . A A . 27 TYR HB3 1 1 20 10697 1 1 28 TYR HD1 H -5.094 -1.858 -0.391 1.00 . A A . 27 TYR HD1 1 1 20 10698 1 1 28 TYR HD2 H -4.059 -0.232 3.400 1.00 . A A . 27 TYR HD2 1 1 20 10699 1 1 28 TYR HE1 H -6.090 -3.812 0.711 1.00 . A A . 27 TYR HE1 1 1 20 10700 1 1 28 TYR HE2 H -5.046 -2.188 4.511 1.00 . A A . 27 TYR HE2 1 1 20 10701 1 1 28 TYR HH H -6.081 -4.992 2.726 1.00 . A A . 27 TYR HH 1 1 20 10702 1 1 28 TYR N N -4.173 2.586 -0.082 1.00 . A A . 27 TYR N 1 1 20 10703 1 1 28 TYR O O -6.886 1.332 1.737 1.00 . A A . 27 TYR O 1 1 20 10704 1 1 28 TYR OH O -6.183 -4.217 3.297 1.00 . A A . 27 TYR OH 1 1 20 10705 1 1 29 GLN C C -7.206 3.823 3.266 1.00 . A A . 28 GLN C 1 1 20 10706 1 1 29 GLN CA C -5.931 3.090 3.663 1.00 . A A . 28 GLN CA 1 1 20 10707 1 1 29 GLN CB C -5.068 4.029 4.515 1.00 . A A . 28 GLN CB 1 1 20 10708 1 1 29 GLN CD C -3.003 4.379 5.917 1.00 . A A . 28 GLN CD 1 1 20 10709 1 1 29 GLN CG C -3.799 3.399 5.072 1.00 . A A . 28 GLN CG 1 1 20 10710 1 1 29 GLN H H -4.301 2.958 2.320 1.00 . A A . 28 GLN H 1 1 20 10711 1 1 29 GLN HA H -6.194 2.218 4.245 1.00 . A A . 28 GLN HA 1 1 20 10712 1 1 29 GLN HB2 H -4.783 4.878 3.908 1.00 . A A . 28 GLN HB2 1 1 20 10713 1 1 29 GLN HB3 H -5.662 4.383 5.347 1.00 . A A . 28 GLN HB3 1 1 20 10714 1 1 29 GLN HE21 H -1.303 3.521 5.360 1.00 . A A . 28 GLN HE21 1 1 20 10715 1 1 29 GLN HE22 H -1.146 4.862 6.435 1.00 . A A . 28 GLN HE22 1 1 20 10716 1 1 29 GLN HG2 H -4.068 2.551 5.687 1.00 . A A . 28 GLN HG2 1 1 20 10717 1 1 29 GLN HG3 H -3.178 3.068 4.250 1.00 . A A . 28 GLN HG3 1 1 20 10718 1 1 29 GLN N N -5.211 2.636 2.477 1.00 . A A . 28 GLN N 1 1 20 10719 1 1 29 GLN NE2 N -1.687 4.240 5.904 1.00 . A A . 28 GLN NE2 1 1 20 10720 1 1 29 GLN O O -8.279 3.555 3.803 1.00 . A A . 28 GLN O 1 1 20 10721 1 1 29 GLN OE1 O -3.564 5.262 6.569 1.00 . A A . 28 GLN OE1 1 1 20 10722 1 1 30 LYS C C -9.284 4.660 1.249 1.00 . A A . 29 LYS C 1 1 20 10723 1 1 30 LYS CA C -8.208 5.544 1.867 1.00 . A A . 29 LYS CA 1 1 20 10724 1 1 30 LYS CB C -7.745 6.603 0.858 1.00 . A A . 29 LYS CB 1 1 20 10725 1 1 30 LYS CD C -9.639 8.183 1.377 1.00 . A A . 29 LYS CD 1 1 20 10726 1 1 30 LYS CE C -10.765 9.025 0.801 1.00 . A A . 29 LYS CE 1 1 20 10727 1 1 30 LYS CG C -8.875 7.450 0.287 1.00 . A A . 29 LYS CG 1 1 20 10728 1 1 30 LYS H H -6.201 4.877 1.900 1.00 . A A . 29 LYS H 1 1 20 10729 1 1 30 LYS HA H -8.620 6.040 2.730 1.00 . A A . 29 LYS HA 1 1 20 10730 1 1 30 LYS HB2 H -7.042 7.262 1.347 1.00 . A A . 29 LYS HB2 1 1 20 10731 1 1 30 LYS HB3 H -7.247 6.106 0.036 1.00 . A A . 29 LYS HB3 1 1 20 10732 1 1 30 LYS HD2 H -10.060 7.457 2.057 1.00 . A A . 29 LYS HD2 1 1 20 10733 1 1 30 LYS HD3 H -8.957 8.827 1.910 1.00 . A A . 29 LYS HD3 1 1 20 10734 1 1 30 LYS HE2 H -10.339 9.779 0.156 1.00 . A A . 29 LYS HE2 1 1 20 10735 1 1 30 LYS HE3 H -11.416 8.386 0.224 1.00 . A A . 29 LYS HE3 1 1 20 10736 1 1 30 LYS HG2 H -8.457 8.177 -0.393 1.00 . A A . 29 LYS HG2 1 1 20 10737 1 1 30 LYS HG3 H -9.557 6.806 -0.249 1.00 . A A . 29 LYS HG3 1 1 20 10738 1 1 30 LYS HZ1 H -12.059 8.982 2.440 1.00 . A A . 29 LYS HZ1 1 1 20 10739 1 1 30 LYS HZ2 H -12.264 10.330 1.441 1.00 . A A . 29 LYS HZ2 1 1 20 10740 1 1 30 LYS HZ3 H -10.940 10.248 2.486 1.00 . A A . 29 LYS HZ3 1 1 20 10741 1 1 30 LYS N N -7.078 4.742 2.316 1.00 . A A . 29 LYS N 1 1 20 10742 1 1 30 LYS NZ N -11.561 9.692 1.865 1.00 . A A . 29 LYS NZ 1 1 20 10743 1 1 30 LYS O O -10.458 4.758 1.601 1.00 . A A . 29 LYS O 1 1 20 10744 1 1 31 ASP C C -10.454 1.942 0.656 1.00 . A A . 30 ASP C 1 1 20 10745 1 1 31 ASP CA C -9.791 2.891 -0.344 1.00 . A A . 30 ASP CA 1 1 20 10746 1 1 31 ASP CB C -9.048 2.096 -1.429 1.00 . A A . 30 ASP CB 1 1 20 10747 1 1 31 ASP CG C -9.980 1.436 -2.430 1.00 . A A . 30 ASP CG 1 1 20 10748 1 1 31 ASP H H -7.907 3.738 0.139 1.00 . A A . 30 ASP H 1 1 20 10749 1 1 31 ASP HA H -10.553 3.496 -0.808 1.00 . A A . 30 ASP HA 1 1 20 10750 1 1 31 ASP HB2 H -8.394 2.766 -1.971 1.00 . A A . 30 ASP HB2 1 1 20 10751 1 1 31 ASP HB3 H -8.455 1.324 -0.955 1.00 . A A . 30 ASP HB3 1 1 20 10752 1 1 31 ASP N N -8.866 3.785 0.346 1.00 . A A . 30 ASP N 1 1 20 10753 1 1 31 ASP O O -11.649 1.656 0.564 1.00 . A A . 30 ASP O 1 1 20 10754 1 1 31 ASP OD1 O -10.125 1.969 -3.554 1.00 . A A . 30 ASP OD1 1 1 20 10755 1 1 31 ASP OD2 O -10.560 0.379 -2.114 1.00 . A A . 30 ASP OD2 1 1 20 10756 1 1 32 LEU C C -11.158 1.252 3.567 1.00 . A A . 31 LEU C 1 1 20 10757 1 1 32 LEU CA C -10.144 0.566 2.658 1.00 . A A . 31 LEU CA 1 1 20 10758 1 1 32 LEU CB C -8.963 0.056 3.492 1.00 . A A . 31 LEU CB 1 1 20 10759 1 1 32 LEU CD1 C -9.745 -2.319 3.781 1.00 . A A . 31 LEU CD1 1 1 20 10760 1 1 32 LEU CD2 C -8.066 -1.338 5.353 1.00 . A A . 31 LEU CD2 1 1 20 10761 1 1 32 LEU CG C -9.283 -1.054 4.493 1.00 . A A . 31 LEU CG 1 1 20 10762 1 1 32 LEU H H -8.723 1.755 1.634 1.00 . A A . 31 LEU H 1 1 20 10763 1 1 32 LEU HA H -10.624 -0.269 2.174 1.00 . A A . 31 LEU HA 1 1 20 10764 1 1 32 LEU HB2 H -8.200 -0.307 2.816 1.00 . A A . 31 LEU HB2 1 1 20 10765 1 1 32 LEU HB3 H -8.557 0.892 4.044 1.00 . A A . 31 LEU HB3 1 1 20 10766 1 1 32 LEU HD11 H -10.677 -2.129 3.271 1.00 . A A . 31 LEU HD11 1 1 20 10767 1 1 32 LEU HD12 H -9.886 -3.107 4.507 1.00 . A A . 31 LEU HD12 1 1 20 10768 1 1 32 LEU HD13 H -8.996 -2.623 3.064 1.00 . A A . 31 LEU HD13 1 1 20 10769 1 1 32 LEU HD21 H -7.794 -0.444 5.895 1.00 . A A . 31 LEU HD21 1 1 20 10770 1 1 32 LEU HD22 H -7.243 -1.638 4.719 1.00 . A A . 31 LEU HD22 1 1 20 10771 1 1 32 LEU HD23 H -8.294 -2.128 6.050 1.00 . A A . 31 LEU HD23 1 1 20 10772 1 1 32 LEU HG H -10.082 -0.726 5.140 1.00 . A A . 31 LEU HG 1 1 20 10773 1 1 32 LEU N N -9.665 1.477 1.621 1.00 . A A . 31 LEU N 1 1 20 10774 1 1 32 LEU O O -12.220 0.703 3.849 1.00 . A A . 31 LEU O 1 1 20 10775 1 1 33 ALA C C -12.984 3.571 4.196 1.00 . A A . 32 ALA C 1 1 20 10776 1 1 33 ALA CA C -11.689 3.215 4.904 1.00 . A A . 32 ALA CA 1 1 20 10777 1 1 33 ALA CB C -10.990 4.476 5.367 1.00 . A A . 32 ALA CB 1 1 20 10778 1 1 33 ALA H H -9.948 2.828 3.770 1.00 . A A . 32 ALA H 1 1 20 10779 1 1 33 ALA HA H -11.912 2.612 5.768 1.00 . A A . 32 ALA HA 1 1 20 10780 1 1 33 ALA HB1 H -10.062 4.215 5.852 1.00 . A A . 32 ALA HB1 1 1 20 10781 1 1 33 ALA HB2 H -11.625 5.005 6.061 1.00 . A A . 32 ALA HB2 1 1 20 10782 1 1 33 ALA HB3 H -10.786 5.105 4.513 1.00 . A A . 32 ALA HB3 1 1 20 10783 1 1 33 ALA N N -10.816 2.448 4.028 1.00 . A A . 32 ALA N 1 1 20 10784 1 1 33 ALA O O -14.061 3.555 4.791 1.00 . A A . 32 ALA O 1 1 20 10785 1 1 34 ASP C C -14.930 3.037 1.930 1.00 . A A . 33 ASP C 1 1 20 10786 1 1 34 ASP CA C -14.011 4.244 2.098 1.00 . A A . 33 ASP CA 1 1 20 10787 1 1 34 ASP CB C -13.547 4.749 0.730 1.00 . A A . 33 ASP CB 1 1 20 10788 1 1 34 ASP CG C -14.686 5.272 -0.115 1.00 . A A . 33 ASP CG 1 1 20 10789 1 1 34 ASP H H -11.964 3.906 2.514 1.00 . A A . 33 ASP H 1 1 20 10790 1 1 34 ASP HA H -14.550 5.030 2.602 1.00 . A A . 33 ASP HA 1 1 20 10791 1 1 34 ASP HB2 H -12.833 5.548 0.870 1.00 . A A . 33 ASP HB2 1 1 20 10792 1 1 34 ASP HB3 H -13.071 3.939 0.197 1.00 . A A . 33 ASP HB3 1 1 20 10793 1 1 34 ASP N N -12.861 3.894 2.917 1.00 . A A . 33 ASP N 1 1 20 10794 1 1 34 ASP O O -16.143 3.179 1.755 1.00 . A A . 33 ASP O 1 1 20 10795 1 1 34 ASP OD1 O -15.244 4.491 -0.917 1.00 . A A . 33 ASP OD1 1 1 20 10796 1 1 34 ASP OD2 O -15.042 6.459 0.023 1.00 . A A . 33 ASP OD2 1 1 20 10797 1 1 35 TYR C C -15.213 -0.063 3.233 1.00 . A A . 34 TYR C 1 1 20 10798 1 1 35 TYR CA C -15.073 0.607 1.869 1.00 . A A . 34 TYR CA 1 1 20 10799 1 1 35 TYR CB C -14.349 -0.314 0.887 1.00 . A A . 34 TYR CB 1 1 20 10800 1 1 35 TYR CD1 C -16.268 -1.553 -0.178 1.00 . A A . 34 TYR CD1 1 1 20 10801 1 1 35 TYR CD2 C -14.625 -2.814 0.991 1.00 . A A . 34 TYR CD2 1 1 20 10802 1 1 35 TYR CE1 C -16.956 -2.711 -0.469 1.00 . A A . 34 TYR CE1 1 1 20 10803 1 1 35 TYR CE2 C -15.305 -3.978 0.702 1.00 . A A . 34 TYR CE2 1 1 20 10804 1 1 35 TYR CG C -15.092 -1.585 0.556 1.00 . A A . 34 TYR CG 1 1 20 10805 1 1 35 TYR CZ C -16.448 -3.923 -0.077 1.00 . A A . 34 TYR CZ 1 1 20 10806 1 1 35 TYR H H -13.369 1.815 2.151 1.00 . A A . 34 TYR H 1 1 20 10807 1 1 35 TYR HA H -16.055 0.833 1.485 1.00 . A A . 34 TYR HA 1 1 20 10808 1 1 35 TYR HB2 H -14.190 0.218 -0.035 1.00 . A A . 34 TYR HB2 1 1 20 10809 1 1 35 TYR HB3 H -13.393 -0.589 1.307 1.00 . A A . 34 TYR HB3 1 1 20 10810 1 1 35 TYR HD1 H -16.645 -0.603 -0.526 1.00 . A A . 34 TYR HD1 1 1 20 10811 1 1 35 TYR HD2 H -13.713 -2.854 1.564 1.00 . A A . 34 TYR HD2 1 1 20 10812 1 1 35 TYR HE1 H -17.870 -2.664 -1.039 1.00 . A A . 34 TYR HE1 1 1 20 10813 1 1 35 TYR HE2 H -14.922 -4.924 1.049 1.00 . A A . 34 TYR HE2 1 1 20 10814 1 1 35 TYR HH H -17.278 -5.593 0.501 1.00 . A A . 34 TYR HH 1 1 20 10815 1 1 35 TYR N N -14.339 1.853 1.999 1.00 . A A . 34 TYR N 1 1 20 10816 1 1 35 TYR O O -14.518 -1.030 3.547 1.00 . A A . 34 TYR O 1 1 20 10817 1 1 35 TYR OH O -17.160 -5.082 -0.313 1.00 . A A . 34 TYR OH 1 1 20 10818 1 1 36 NH2 HN1 H -16.607 1.248 3.745 1.00 . A A . 35 NH2 HN1 1 1 20 10819 1 1 36 NH2 HN2 H -16.214 0.063 4.938 1.00 . A A . 35 NH2 HN2 1 1 20 10820 1 1 36 NH2 N N -16.101 0.469 4.054 1.00 . A A . 35 NH2 N 1 1 stop_ save_
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