NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
448156 | 2npl | 7291 | cing | 4-filtered-FRED | STAR | entry | full | 462 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2npl # This FRED archive file contains, for PDB entry <2npl>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_2npl _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2npl _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 10524.65 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 $Coxsackievirus_and_Adenovirus_Receptor A . 1 1 stop_ save_ save_Coxsackievirus_and_Adenovirus_Receptor _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Coxsackievirus and Adenovirus Receptor" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GSSGARCYVDGSEEIGSDFKIKCEPKEGSLPLQYEWQKLSDSQKMPTSWLAEMTSSVISVKNASSEYSGTYSCTVRNRVGSDQCLLRLNVVPPSNK _Entity.Number_of_monomers 96 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 GLY . 1 1 2 SER . 1 1 3 SER . 1 1 4 GLY . 1 1 5 ALA . 1 1 6 ARG . 1 1 7 CYS . 1 1 8 TYR . 1 1 9 VAL . 1 1 10 ASP . 1 1 11 GLY . 1 1 12 SER . 1 1 13 GLU . 1 1 14 GLU . 1 1 15 ILE . 1 1 16 GLY . 1 1 17 SER . 1 1 18 ASP . 1 1 19 PHE . 1 1 20 LYS . 1 1 21 ILE . 1 1 22 LYS . 1 1 23 CYS . 1 1 24 GLU . 1 1 25 PRO . 1 1 26 LYS . 1 1 27 GLU . 1 1 28 GLY . 1 1 29 SER . 1 1 30 LEU . 1 1 31 PRO . 1 1 32 LEU . 1 1 33 GLN . 1 1 34 TYR . 1 1 35 GLU . 1 1 36 TRP . 1 1 37 GLN . 1 1 38 LYS . 1 1 39 LEU . 1 1 40 SER . 1 1 41 ASP . 1 1 42 SER . 1 1 43 GLN . 1 1 44 LYS . 1 1 45 MET . 1 1 46 PRO . 1 1 47 THR . 1 1 48 SER . 1 1 49 TRP . 1 1 50 LEU . 1 1 51 ALA . 1 1 52 GLU . 1 1 53 MET . 1 1 54 THR . 1 1 55 SER . 1 1 56 SER . 1 1 57 VAL . 1 1 58 ILE . 1 1 59 SER . 1 1 60 VAL . 1 1 61 LYS . 1 1 62 ASN . 1 1 63 ALA . 1 1 64 SER . 1 1 65 SER . 1 1 66 GLU . 1 1 67 TYR . 1 1 68 SER . 1 1 69 GLY . 1 1 70 THR . 1 1 71 TYR . 1 1 72 SER . 1 1 73 CYS . 1 1 74 THR . 1 1 75 VAL . 1 1 76 ARG . 1 1 77 ASN . 1 1 78 ARG . 1 1 79 VAL . 1 1 80 GLY . 1 1 81 SER . 1 1 82 ASP . 1 1 83 GLN . 1 1 84 CYS . 1 1 85 LEU . 1 1 86 LEU . 1 1 87 ARG . 1 1 88 LEU . 1 1 89 ASN . 1 1 90 VAL . 1 1 91 VAL . 1 1 92 PRO . 1 1 93 PRO . 1 1 94 SER . 1 1 95 ASN . 1 1 96 LYS . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID GLY 1 1 1 1 SER 2 2 1 1 SER 3 3 1 1 GLY 4 4 1 1 ALA 5 5 1 1 ARG 6 6 1 1 CYS 7 7 1 1 TYR 8 8 1 1 VAL 9 9 1 1 ASP 10 10 1 1 GLY 11 11 1 1 SER 12 12 1 1 GLU 13 13 1 1 GLU 14 14 1 1 ILE 15 15 1 1 GLY 16 16 1 1 SER 17 17 1 1 ASP 18 18 1 1 PHE 19 19 1 1 LYS 20 20 1 1 ILE 21 21 1 1 LYS 22 22 1 1 CYS 23 23 1 1 GLU 24 24 1 1 PRO 25 25 1 1 LYS 26 26 1 1 GLU 27 27 1 1 GLY 28 28 1 1 SER 29 29 1 1 LEU 30 30 1 1 PRO 31 31 1 1 LEU 32 32 1 1 GLN 33 33 1 1 TYR 34 34 1 1 GLU 35 35 1 1 TRP 36 36 1 1 GLN 37 37 1 1 LYS 38 38 1 1 LEU 39 39 1 1 SER 40 40 1 1 ASP 41 41 1 1 SER 42 42 1 1 GLN 43 43 1 1 LYS 44 44 1 1 MET 45 45 1 1 PRO 46 46 1 1 THR 47 47 1 1 SER 48 48 1 1 TRP 49 49 1 1 LEU 50 50 1 1 ALA 51 51 1 1 GLU 52 52 1 1 MET 53 53 1 1 THR 54 54 1 1 SER 55 55 1 1 SER 56 56 1 1 VAL 57 57 1 1 ILE 58 58 1 1 SER 59 59 1 1 VAL 60 60 1 1 LYS 61 61 1 1 ASN 62 62 1 1 ALA 63 63 1 1 SER 64 64 1 1 SER 65 65 1 1 GLU 66 66 1 1 TYR 67 67 1 1 SER 68 68 1 1 GLY 69 69 1 1 THR 70 70 1 1 TYR 71 71 1 1 SER 72 72 1 1 CYS 73 73 1 1 THR 74 74 1 1 VAL 75 75 1 1 ARG 76 76 1 1 ASN 77 77 1 1 ARG 78 78 1 1 VAL 79 79 1 1 GLY 80 80 1 1 SER 81 81 1 1 ASP 82 82 1 1 GLN 83 83 1 1 CYS 84 84 1 1 LEU 85 85 1 1 LEU 86 86 1 1 ARG 87 87 1 1 LEU 88 88 1 1 ASN 89 89 1 1 VAL 90 90 1 1 VAL 91 91 1 1 PRO 92 92 1 1 PRO 93 93 1 1 SER 94 94 1 1 ASN 95 95 1 1 LYS 96 96 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 332 1 . . . 1 1 333 1 . . . 1 1 334 1 . . . 1 1 335 1 . . . 1 1 336 1 . . . 1 1 337 1 . . . 1 1 338 1 . . . 1 1 339 1 . . . 1 1 340 1 . . . 1 1 341 1 . . . 1 1 342 1 . . . 1 1 343 1 . . . 1 1 344 1 . . . 1 1 345 1 . . . 1 1 346 1 . . . 1 1 347 1 . . . 1 1 348 1 . . . 1 1 349 1 . . . 1 1 350 1 . . . 1 1 351 1 . . . 1 1 352 1 . . . 1 1 353 1 . . . 1 1 354 1 . . . 1 1 355 1 . . . 1 1 356 1 . . . 1 1 357 1 . . . 1 1 358 1 . . . 1 1 359 1 . . . 1 1 360 1 . . . 1 1 361 1 . . . 1 1 362 1 . . . 1 1 363 1 . . . 1 1 364 1 . . . 1 1 365 1 . . . 1 1 366 1 . . . 1 1 367 1 . . . 1 1 368 1 . . . 1 1 369 1 . . . 1 1 370 1 . . . 1 1 371 1 . . . 1 1 372 1 . . . 1 1 373 1 . . . 1 1 374 1 . . . 1 1 375 1 . . . 1 1 376 1 . . . 1 1 377 1 . . . 1 1 378 1 . . . 1 1 379 1 . . . 1 1 380 1 . . . 1 1 381 1 . . . 1 1 382 1 . . . 1 1 383 1 . . . 1 1 384 1 . . . 1 1 385 1 . . . 1 1 386 1 . . . 1 1 387 1 . . . 1 1 388 1 . . . 1 1 389 1 . . . 1 1 390 1 . . . 1 1 391 1 . . . 1 1 392 1 . . . 1 1 393 1 . . . 1 1 394 1 . . . 1 1 395 1 . . . 1 1 396 1 . . . 1 1 397 1 . . . 1 1 398 1 . . . 1 1 399 1 . . . 1 1 400 1 . . . 1 1 401 1 . . . 1 1 402 1 . . . 1 1 403 1 . . . 1 1 404 1 . . . 1 1 405 1 . . . 1 1 406 1 . . . 1 1 407 1 . . . 1 1 408 1 . . . 1 1 409 1 . . . 1 1 410 1 . . . 1 1 411 1 . . . 1 1 412 1 . . . 1 1 413 1 . . . 1 1 414 1 . . . 1 1 415 1 . . . 1 1 416 1 . . . 1 1 417 1 . . . 1 1 418 1 . . . 1 1 419 1 . . . 1 1 420 1 . . . 1 1 421 1 . . . 1 1 422 1 . . . 1 1 423 1 . . . 1 1 424 1 . . . 1 1 425 1 . . . 1 1 426 1 . . . 1 1 427 1 . . . 1 1 428 1 . . . 1 1 429 1 . . . 1 1 430 1 . . . 1 1 431 1 . . . 1 1 432 1 . . . 1 1 433 1 . . . 1 1 434 1 . . . 1 1 435 1 . . . 1 1 436 1 . . . 1 1 437 1 . . . 1 1 438 1 . . . 1 1 439 1 . . . 1 1 440 1 . . . 1 1 441 1 . . . 1 1 442 1 . . . 1 1 443 1 . . . 1 1 444 1 . . . 1 1 445 1 . . . 1 1 446 1 . . . 1 1 447 1 . . . 1 1 448 1 . . . 1 1 449 1 . . . 1 1 450 1 . . . 1 1 451 1 . . . 1 1 452 1 . . . 1 1 453 1 . . . 1 1 454 1 . . . 1 1 455 1 . . . 1 1 456 1 . . . 1 1 457 1 . . . 1 1 458 1 . . . 1 1 459 1 . . . 1 1 460 1 . . . 1 1 461 1 . . . 1 1 462 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 GLY QA . 1 . HA# 1 1 1 1 2 1 1 2 SER H . 2 . HN 1 1 2 1 1 1 1 2 SER HA . 2 . HA 1 1 2 1 2 1 1 3 SER H . 3 . HN 1 1 3 1 1 1 1 3 SER HA . 3 . HA 1 1 3 1 2 1 1 4 GLY H . 4 . HN 1 1 4 1 1 1 1 3 SER HA . 3 . HA 1 1 4 1 2 1 1 28 GLY H . 28 . HN 1 1 5 1 1 1 1 3 SER QB . 3 . HB# 1 1 5 1 2 1 1 4 GLY H . 4 . HN 1 1 6 1 1 1 1 4 GLY H . 4 . HN 1 1 6 1 2 1 1 26 LYS QB . 26 . HB# 1 1 7 1 1 1 1 4 GLY H . 4 . HN 1 1 7 1 2 1 1 26 LYS QG . 26 . HG# 1 1 8 1 1 1 1 4 GLY H . 4 . HN 1 1 8 1 2 1 1 27 GLU HA . 27 . HA 1 1 9 1 1 1 1 4 GLY H . 4 . HN 1 1 9 1 2 1 1 27 GLU QB . 27 . HB# 1 1 10 1 1 1 1 4 GLY QA . 4 . HA# 1 1 10 1 2 1 1 5 ALA H . 5 . HN 1 1 11 1 1 1 1 4 GLY QA . 4 . HA# 1 1 11 1 2 1 1 28 GLY H . 28 . HN 1 1 12 1 1 1 1 4 GLY QA . 4 . HA# 1 1 12 1 2 1 1 29 SER H . 29 . HN 1 1 13 1 1 1 1 5 ALA H . 5 . HN 1 1 13 1 2 1 1 5 ALA HA . 5 . HA 1 1 14 1 1 1 1 5 ALA H . 5 . HN 1 1 14 1 2 1 1 5 ALA MB . 5 . HB# 1 1 15 1 1 1 1 5 ALA HA . 5 . HA 1 1 15 1 2 1 1 6 ARG H . 6 . HN 1 1 16 1 1 1 1 5 ALA HA . 5 . HA 1 1 16 1 2 1 1 25 PRO HA . 25 . HA 1 1 17 1 1 1 1 5 ALA HA . 5 . HA 1 1 17 1 2 1 1 26 LYS H . 26 . HN 1 1 18 1 1 1 1 5 ALA MB . 5 . HB# 1 1 18 1 2 1 1 6 ARG H . 6 . HN 1 1 19 1 1 1 1 5 ALA MB . 5 . HB# 1 1 19 1 2 1 1 82 ASP H . 82 . HN 1 1 20 1 1 1 1 5 ALA MB . 5 . HB# 1 1 20 1 2 1 1 83 GLN H . 83 . HN 1 1 21 1 1 1 1 6 ARG H . 6 . HN 1 1 21 1 2 1 1 6 ARG QB . 6 . HB# 1 1 22 1 1 1 1 6 ARG H . 6 . HN 1 1 22 1 2 1 1 24 GLU H . 24 . HN 1 1 23 1 1 1 1 6 ARG H . 6 . HN 1 1 23 1 2 1 1 25 PRO HA . 25 . HA 1 1 24 1 1 1 1 6 ARG HA . 6 . HA 1 1 24 1 2 1 1 7 CYS H . 7 . HN 1 1 25 1 1 1 1 6 ARG QB . 6 . HB# 1 1 25 1 2 1 1 7 CYS H . 7 . HN 1 1 26 1 1 1 1 7 CYS H . 7 . HN 1 1 26 1 2 1 1 7 CYS HA . 7 . HA 1 1 27 1 1 1 1 7 CYS HA . 7 . HA 1 1 27 1 2 1 1 8 TYR H . 8 . HN 1 1 28 1 1 1 1 7 CYS HA . 7 . HA 1 1 28 1 2 1 1 23 CYS HA . 23 . HA 1 1 29 1 1 1 1 7 CYS HA . 7 . HA 1 1 29 1 2 1 1 24 GLU H . 24 . HN 1 1 30 1 1 1 1 7 CYS QB . 7 . HB# 1 1 30 1 2 1 1 8 TYR H . 8 . HN 1 1 31 1 1 1 1 7 CYS QB . 7 . HB# 1 1 31 1 2 1 1 84 CYS QB . 84 . HB# 1 1 32 1 1 1 1 8 TYR H . 8 . HN 1 1 32 1 2 1 1 8 TYR HA . 8 . HA 1 1 33 1 1 1 1 8 TYR H . 8 . HN 1 1 33 1 2 1 1 8 TYR QB . 8 . HB# 1 1 34 1 1 1 1 8 TYR H . 8 . HN 1 1 34 1 2 1 1 22 LYS H . 22 . HN 1 1 35 1 1 1 1 8 TYR H . 8 . HN 1 1 35 1 2 1 1 23 CYS HA . 23 . HA 1 1 36 1 1 1 1 8 TYR H . 8 . HN 1 1 36 1 2 1 1 87 ARG H . 87 . HN 1 1 37 1 1 1 1 8 TYR HA . 8 . HA 1 1 37 1 2 1 1 9 VAL H . 9 . HN 1 1 38 1 1 1 1 8 TYR QB . 8 . HB# 1 1 38 1 2 1 1 9 VAL H . 9 . HN 1 1 39 1 1 1 1 9 VAL H . 9 . HN 1 1 39 1 2 1 1 9 VAL HA . 9 . HA 1 1 40 1 1 1 1 9 VAL H . 9 . HN 1 1 40 1 2 1 1 9 VAL HB . 9 . HB 1 1 41 1 1 1 1 9 VAL H . 9 . HN 1 1 41 1 2 1 1 9 VAL QG . 9 . HG* 1 1 42 1 1 1 1 9 VAL HA . 9 . HA 1 1 42 1 2 1 1 10 ASP H . 10 . HN 1 1 43 1 1 1 1 9 VAL HA . 9 . HA 1 1 43 1 2 1 1 22 LYS H . 22 . HN 1 1 44 1 1 1 1 9 VAL QG . 9 . HG* 1 1 44 1 2 1 1 10 ASP H . 10 . HN 1 1 45 1 1 1 1 10 ASP H . 10 . HN 1 1 45 1 2 1 1 10 ASP HA . 10 . HA 1 1 46 1 1 1 1 10 ASP H . 10 . HN 1 1 46 1 2 1 1 10 ASP QB . 10 . HB# 1 1 47 1 1 1 1 10 ASP H . 10 . HN 1 1 47 1 2 1 1 20 LYS H . 20 . HN 1 1 48 1 1 1 1 10 ASP H . 10 . HN 1 1 48 1 2 1 1 21 ILE HA . 21 . HA 1 1 49 1 1 1 1 10 ASP H . 10 . HN 1 1 49 1 2 1 1 22 LYS H . 22 . HN 1 1 50 1 1 1 1 10 ASP HA . 10 . HA 1 1 50 1 2 1 1 11 GLY H . 11 . HN 1 1 51 1 1 1 1 10 ASP QB . 10 . HB# 1 1 51 1 2 1 1 11 GLY H . 11 . HN 1 1 52 1 1 1 1 11 GLY QA . 11 . HA# 1 1 52 1 2 1 1 12 SER H . 12 . HN 1 1 53 1 1 1 1 11 GLY QA . 11 . HA# 1 1 53 1 2 1 1 19 PHE HA . 19 . HA 1 1 54 1 1 1 1 11 GLY QA . 11 . HA# 1 1 54 1 2 1 1 20 LYS H . 20 . HN 1 1 55 1 1 1 1 12 SER H . 12 . HN 1 1 55 1 2 1 1 12 SER HA . 12 . HA 1 1 56 1 1 1 1 12 SER H . 12 . HN 1 1 56 1 2 1 1 12 SER QB . 12 . HB# 1 1 57 1 1 1 1 12 SER H . 12 . HN 1 1 57 1 2 1 1 18 ASP H . 18 . HN 1 1 58 1 1 1 1 12 SER H . 12 . HN 1 1 58 1 2 1 1 19 PHE HA . 19 . HA 1 1 59 1 1 1 1 12 SER HA . 12 . HA 1 1 59 1 2 1 1 13 GLU H . 13 . HN 1 1 60 1 1 1 1 12 SER HA . 12 . HA 1 1 60 1 2 1 1 14 GLU H . 14 . HN 1 1 61 1 1 1 1 12 SER HA . 12 . HA 1 1 61 1 2 1 1 89 ASN H . 89 . HN 1 1 62 1 1 1 1 12 SER QB . 12 . HB# 1 1 62 1 2 1 1 13 GLU H . 13 . HN 1 1 63 1 1 1 1 12 SER QB . 12 . HB# 1 1 63 1 2 1 1 14 GLU H . 14 . HN 1 1 64 1 1 1 1 13 GLU H . 13 . HN 1 1 64 1 2 1 1 13 GLU HA . 13 . HA 1 1 65 1 1 1 1 13 GLU H . 13 . HN 1 1 65 1 2 1 1 13 GLU QB . 13 . HB# 1 1 66 1 1 1 1 13 GLU H . 13 . HN 1 1 66 1 2 1 1 14 GLU H . 14 . HN 1 1 67 1 1 1 1 13 GLU H . 13 . HN 1 1 67 1 2 1 1 90 VAL HA . 90 . HA 1 1 68 1 1 1 1 13 GLU HA . 13 . HA 1 1 68 1 2 1 1 14 GLU H . 14 . HN 1 1 69 1 1 1 1 13 GLU QB . 13 . HB# 1 1 69 1 2 1 1 14 GLU H . 14 . HN 1 1 70 1 1 1 1 14 GLU H . 14 . HN 1 1 70 1 2 1 1 14 GLU HA . 14 . HA 1 1 71 1 1 1 1 14 GLU H . 14 . HN 1 1 71 1 2 1 1 15 ILE H . 15 . HN 1 1 72 1 1 1 1 14 GLU H . 14 . HN 1 1 72 1 2 1 1 17 SER QB . 17 . HB# 1 1 73 1 1 1 1 14 GLU H . 14 . HN 1 1 73 1 2 1 1 19 PHE QD . 19 . HD* 1 1 74 1 1 1 1 14 GLU H . 14 . HN 1 1 74 1 2 1 1 90 VAL QG . 90 . HG* 1 1 75 1 1 1 1 14 GLU HA . 14 . HA 1 1 75 1 2 1 1 15 ILE H . 15 . HN 1 1 76 1 1 1 1 14 GLU HA . 14 . HA 1 1 76 1 2 1 1 91 VAL H . 91 . HN 1 1 77 1 1 1 1 15 ILE H . 15 . HN 1 1 77 1 2 1 1 15 ILE HA . 15 . HA 1 1 78 1 1 1 1 15 ILE H . 15 . HN 1 1 78 1 2 1 1 16 GLY H . 16 . HN 1 1 79 1 1 1 1 15 ILE H . 15 . HN 1 1 79 1 2 1 1 90 VAL QG . 90 . HG* 1 1 80 1 1 1 1 15 ILE H . 15 . HN 1 1 80 1 2 1 1 91 VAL H . 91 . HN 1 1 81 1 1 1 1 15 ILE H . 15 . HN 1 1 81 1 2 1 1 92 PRO HA . 92 . HA 1 1 82 1 1 1 1 15 ILE HA . 15 . HA 1 1 82 1 2 1 1 16 GLY H . 16 . HN 1 1 83 1 1 1 1 15 ILE HA . 15 . HA 1 1 83 1 2 1 1 17 SER H . 17 . HN 1 1 84 1 1 1 1 16 GLY H . 16 . HN 1 1 84 1 2 1 1 17 SER H . 17 . HN 1 1 85 1 1 1 1 16 GLY H . 16 . HN 1 1 85 1 2 1 1 63 ALA H . 63 . HN 1 1 86 1 1 1 1 16 GLY H . 16 . HN 1 1 86 1 2 1 1 65 SER H . 65 . HN 1 1 87 1 1 1 1 16 GLY H . 16 . HN 1 1 87 1 2 1 1 90 VAL QG . 90 . HG* 1 1 88 1 1 1 1 16 GLY QA . 16 . HA# 1 1 88 1 2 1 1 17 SER H . 17 . HN 1 1 89 1 1 1 1 16 GLY QA . 16 . HA# 1 1 89 1 2 1 1 63 ALA H . 63 . HN 1 1 90 1 1 1 1 17 SER H . 17 . HN 1 1 90 1 2 1 1 17 SER HA . 17 . HA 1 1 91 1 1 1 1 17 SER H . 17 . HN 1 1 91 1 2 1 1 17 SER QB . 17 . HB# 1 1 92 1 1 1 1 17 SER H . 17 . HN 1 1 92 1 2 1 1 62 ASN H . 62 . HN 1 1 93 1 1 1 1 17 SER H . 17 . HN 1 1 93 1 2 1 1 63 ALA H . 63 . HN 1 1 94 1 1 1 1 17 SER H . 17 . HN 1 1 94 1 2 1 1 63 ALA MB . 63 . HB# 1 1 95 1 1 1 1 17 SER H . 17 . HN 1 1 95 1 2 1 1 90 VAL QG . 90 . HG* 1 1 96 1 1 1 1 17 SER HA . 17 . HA 1 1 96 1 2 1 1 18 ASP H . 18 . HN 1 1 97 1 1 1 1 17 SER QB . 17 . HB# 1 1 97 1 2 1 1 18 ASP H . 18 . HN 1 1 98 1 1 1 1 18 ASP H . 18 . HN 1 1 98 1 2 1 1 18 ASP HA . 18 . HA 1 1 99 1 1 1 1 18 ASP H . 18 . HN 1 1 99 1 2 1 1 18 ASP QB . 18 . HB# 1 1 100 1 1 1 1 18 ASP HA . 18 . HA 1 1 100 1 2 1 1 19 PHE H . 19 . HN 1 1 101 1 1 1 1 18 ASP HA . 18 . HA 1 1 101 1 2 1 1 62 ASN H . 62 . HN 1 1 102 1 1 1 1 18 ASP HA . 18 . HA 1 1 102 1 2 1 1 63 ALA H . 63 . HN 1 1 103 1 1 1 1 19 PHE H . 19 . HN 1 1 103 1 2 1 1 19 PHE HA . 19 . HA 1 1 104 1 1 1 1 19 PHE H . 19 . HN 1 1 104 1 2 1 1 59 SER HA . 59 . HA 1 1 105 1 1 1 1 19 PHE H . 19 . HN 1 1 105 1 2 1 1 60 VAL H . 60 . HN 1 1 106 1 1 1 1 19 PHE H . 19 . HN 1 1 106 1 2 1 1 60 VAL HB . 60 . HB 1 1 107 1 1 1 1 19 PHE H . 19 . HN 1 1 107 1 2 1 1 60 VAL QG . 60 . HG* 1 1 108 1 1 1 1 19 PHE H . 19 . HN 1 1 108 1 2 1 1 61 LYS HA . 61 . HA 1 1 109 1 1 1 1 19 PHE H . 19 . HN 1 1 109 1 2 1 1 62 ASN H . 62 . HN 1 1 110 1 1 1 1 19 PHE HA . 19 . HA 1 1 110 1 2 1 1 20 LYS H . 20 . HN 1 1 111 1 1 1 1 19 PHE QD . 19 . HD* 1 1 111 1 2 1 1 20 LYS H . 20 . HN 1 1 112 1 1 1 1 19 PHE QD . 19 . HD* 1 1 112 1 2 1 1 21 ILE H . 21 . HN 1 1 113 1 1 1 1 19 PHE QD . 19 . HD* 1 1 113 1 2 1 1 60 VAL H . 60 . HN 1 1 114 1 1 1 1 19 PHE QE . 19 . HE* 1 1 114 1 2 1 1 63 ALA H . 63 . HN 1 1 115 1 1 1 1 20 LYS H . 20 . HN 1 1 115 1 2 1 1 20 LYS HA . 20 . HA 1 1 116 1 1 1 1 20 LYS H . 20 . HN 1 1 116 1 2 1 1 20 LYS QB . 20 . HB# 1 1 117 1 1 1 1 20 LYS HA . 20 . HA 1 1 117 1 2 1 1 21 ILE H . 21 . HN 1 1 118 1 1 1 1 20 LYS HA . 20 . HA 1 1 118 1 2 1 1 60 VAL H . 60 . HN 1 1 119 1 1 1 1 20 LYS QB . 20 . HB# 1 1 119 1 2 1 1 21 ILE H . 21 . HN 1 1 120 1 1 1 1 21 ILE H . 21 . HN 1 1 120 1 2 1 1 21 ILE HA . 21 . HA 1 1 121 1 1 1 1 21 ILE H . 21 . HN 1 1 121 1 2 1 1 58 ILE H . 58 . HN 1 1 122 1 1 1 1 21 ILE H . 21 . HN 1 1 122 1 2 1 1 59 SER HA . 59 . HA 1 1 123 1 1 1 1 21 ILE HA . 21 . HA 1 1 123 1 2 1 1 22 LYS H . 22 . HN 1 1 124 1 1 1 1 21 ILE HB . 21 . HB# 1 1 124 1 2 1 1 22 LYS H . 22 . HN 1 1 125 1 1 1 1 22 LYS H . 22 . HN 1 1 125 1 2 1 1 22 LYS HA . 22 . HA 1 1 126 1 1 1 1 22 LYS H . 22 . HN 1 1 126 1 2 1 1 36 TRP HH2 . 36 . HH2 1 1 127 1 1 1 1 22 LYS HA . 22 . HA 1 1 127 1 2 1 1 23 CYS H . 23 . HN 1 1 128 1 1 1 1 22 LYS QB . 22 . HB# 1 1 128 1 2 1 1 23 CYS H . 23 . HN 1 1 129 1 1 1 1 23 CYS H . 23 . HN 1 1 129 1 2 1 1 23 CYS HA . 23 . HA 1 1 130 1 1 1 1 23 CYS H . 23 . HN 1 1 130 1 2 1 1 23 CYS QB . 23 . HB# 1 1 131 1 1 1 1 23 CYS H . 23 . HN 1 1 131 1 2 1 1 36 TRP HH2 . 36 . HH2 1 1 132 1 1 1 1 23 CYS H . 23 . HN 1 1 132 1 2 1 1 36 TRP HZ2 . 36 . HZ2 1 1 133 1 1 1 1 23 CYS H . 23 . HN 1 1 133 1 2 1 1 56 SER H . 56 . HN 1 1 134 1 1 1 1 23 CYS H . 23 . HN 1 1 134 1 2 1 1 57 VAL HA . 57 . HA 1 1 135 1 1 1 1 23 CYS HA . 23 . HA 1 1 135 1 2 1 1 24 GLU H . 24 . HN 1 1 136 1 1 1 1 23 CYS QB . 23 . HB# 1 1 136 1 2 1 1 73 CYS QB . 73 . HB# 1 1 137 1 1 1 1 24 GLU H . 24 . HN 1 1 137 1 2 1 1 24 GLU HA . 24 . HA 1 1 138 1 1 1 1 25 PRO HA . 25 . HA 1 1 138 1 2 1 1 26 LYS H . 26 . HN 1 1 139 1 1 1 1 25 PRO HA . 25 . HA 1 1 139 1 2 1 1 27 GLU H . 27 . HN 1 1 140 1 1 1 1 25 PRO QB . 25 . HB# 1 1 140 1 2 1 1 26 LYS H . 26 . HN 1 1 141 1 1 1 1 26 LYS H . 26 . HN 1 1 141 1 2 1 1 26 LYS HA . 26 . HA 1 1 142 1 1 1 1 26 LYS HA . 26 . HA 1 1 142 1 2 1 1 27 GLU H . 27 . HN 1 1 143 1 1 1 1 27 GLU H . 27 . HN 1 1 143 1 2 1 1 27 GLU HA . 27 . HA 1 1 144 1 1 1 1 27 GLU H . 27 . HN 1 1 144 1 2 1 1 28 GLY H . 28 . HN 1 1 145 1 1 1 1 27 GLU HA . 27 . HA 1 1 145 1 2 1 1 28 GLY H . 28 . HN 1 1 146 1 1 1 1 28 GLY H . 28 . HN 1 1 146 1 2 1 1 29 SER H . 29 . HN 1 1 147 1 1 1 1 28 GLY QA . 28 . HA# 1 1 147 1 2 1 1 29 SER H . 29 . HN 1 1 148 1 1 1 1 29 SER H . 29 . HN 1 1 148 1 2 1 1 29 SER HA . 29 . HA 1 1 149 1 1 1 1 29 SER H . 29 . HN 1 1 149 1 2 1 1 30 LEU H . 30 . HN 1 1 150 1 1 1 1 29 SER HA . 29 . HA 1 1 150 1 2 1 1 30 LEU H . 30 . HN 1 1 151 1 1 1 1 30 LEU H . 30 . HN 1 1 151 1 2 1 1 30 LEU HA . 30 . HA 1 1 152 1 1 1 1 31 PRO HA . 31 . HA 1 1 152 1 2 1 1 32 LEU H . 32 . HN 1 1 153 1 1 1 1 31 PRO HA . 31 . HA 1 1 153 1 2 1 1 33 GLN H . 33 . HN 1 1 154 1 1 1 1 32 LEU H . 32 . HN 1 1 154 1 2 1 1 32 LEU HA . 32 . HA 1 1 155 1 1 1 1 32 LEU H . 32 . HN 1 1 155 1 2 1 1 33 GLN H . 33 . HN 1 1 156 1 1 1 1 32 LEU H . 32 . HN 1 1 156 1 2 1 1 77 ASN HA . 77 . HA 1 1 157 1 1 1 1 32 LEU HA . 32 . HA 1 1 157 1 2 1 1 33 GLN H . 33 . HN 1 1 158 1 1 1 1 33 GLN H . 33 . HN 1 1 158 1 2 1 1 33 GLN HA . 33 . HA 1 1 159 1 1 1 1 33 GLN H . 33 . HN 1 1 159 1 2 1 1 76 ARG H . 76 . HN 1 1 160 1 1 1 1 33 GLN H . 33 . HN 1 1 160 1 2 1 1 77 ASN HA . 77 . HA 1 1 161 1 1 1 1 33 GLN HA . 33 . HA 1 1 161 1 2 1 1 34 TYR H . 34 . HN 1 1 162 1 1 1 1 33 GLN QB . 33 . HB# 1 1 162 1 2 1 1 34 TYR H . 34 . HN 1 1 163 1 1 1 1 34 TYR H . 34 . HN 1 1 163 1 2 1 1 34 TYR HA . 34 . HA 1 1 164 1 1 1 1 34 TYR H . 34 . HN 1 1 164 1 2 1 1 34 TYR QB . 34 . HB# 1 1 165 1 1 1 1 34 TYR H . 34 . HN 1 1 165 1 2 1 1 34 TYR QD . 34 . HD* 1 1 166 1 1 1 1 34 TYR HA . 34 . HA 1 1 166 1 2 1 1 35 GLU H . 35 . HN 1 1 167 1 1 1 1 34 TYR HA . 34 . HA 1 1 167 1 2 1 1 76 ARG H . 76 . HN 1 1 168 1 1 1 1 34 TYR QB . 34 . HB# 1 1 168 1 2 1 1 35 GLU H . 35 . HN 1 1 169 1 1 1 1 34 TYR QD . 34 . HD* 1 1 169 1 2 1 1 56 SER H . 56 . HN 1 1 170 1 1 1 1 35 GLU H . 35 . HN 1 1 170 1 2 1 1 35 GLU HA . 35 . HA 1 1 171 1 1 1 1 35 GLU H . 35 . HN 1 1 171 1 2 1 1 35 GLU QB . 35 . HB# 1 1 172 1 1 1 1 35 GLU H . 35 . HN 1 1 172 1 2 1 1 74 THR H . 74 . HN 1 1 173 1 1 1 1 35 GLU H . 35 . HN 1 1 173 1 2 1 1 74 THR HB . 74 . HB 1 1 174 1 1 1 1 35 GLU H . 35 . HN 1 1 174 1 2 1 1 75 VAL HA . 75 . HA 1 1 175 1 1 1 1 35 GLU HA . 35 . HA 1 1 175 1 2 1 1 36 TRP H . 36 . HN 1 1 176 1 1 1 1 35 GLU HA . 35 . HA 1 1 176 1 2 1 1 54 THR H . 54 . HN 1 1 177 1 1 1 1 36 TRP H . 36 . HN 1 1 177 1 2 1 1 36 TRP HA . 36 . HA 1 1 178 1 1 1 1 36 TRP H . 36 . HN 1 1 178 1 2 1 1 53 MET HA . 53 . HA 1 1 179 1 1 1 1 36 TRP H . 36 . HN 1 1 179 1 2 1 1 54 THR HA . 54 . HA 1 1 180 1 1 1 1 36 TRP HA . 36 . HA 1 1 180 1 2 1 1 37 GLN H . 37 . HN 1 1 181 1 1 1 1 36 TRP HA . 36 . HA 1 1 181 1 2 1 1 73 CYS HA . 73 . HA 1 1 182 1 1 1 1 36 TRP HA . 36 . HA 1 1 182 1 2 1 1 74 THR H . 74 . HN 1 1 183 1 1 1 1 36 TRP QB . 36 . HB# 1 1 183 1 2 1 1 37 GLN H . 37 . HN 1 1 184 1 1 1 1 36 TRP HD1 . 36 . HD1 1 1 184 1 2 1 1 55 SER H . 55 . HN 1 1 185 1 1 1 1 37 GLN H . 37 . HN 1 1 185 1 2 1 1 37 GLN HA . 37 . HA 1 1 186 1 1 1 1 37 GLN H . 37 . HN 1 1 186 1 2 1 1 37 GLN QB . 37 . HB# 1 1 187 1 1 1 1 37 GLN H . 37 . HN 1 1 187 1 2 1 1 72 SER H . 72 . HN 1 1 188 1 1 1 1 37 GLN H . 37 . HN 1 1 188 1 2 1 1 73 CYS HA . 73 . HA 1 1 189 1 1 1 1 37 GLN HA . 37 . HA 1 1 189 1 2 1 1 38 LYS H . 38 . HN 1 1 190 1 1 1 1 37 GLN QB . 37 . HB# 1 1 190 1 2 1 1 38 LYS H . 38 . HN 1 1 191 1 1 1 1 38 LYS H . 38 . HN 1 1 191 1 2 1 1 38 LYS HA . 38 . HA 1 1 192 1 1 1 1 38 LYS H . 38 . HN 1 1 192 1 2 1 1 38 LYS QB . 38 . HB# 1 1 193 1 1 1 1 38 LYS HA . 38 . HA 1 1 193 1 2 1 1 39 LEU H . 39 . HN 1 1 194 1 1 1 1 38 LYS HA . 38 . HA 1 1 194 1 2 1 1 71 TYR HA . 71 . HA 1 1 195 1 1 1 1 38 LYS HA . 38 . HA 1 1 195 1 2 1 1 72 SER H . 72 . HN 1 1 196 1 1 1 1 38 LYS QB . 38 . HB# 1 1 196 1 2 1 1 39 LEU H . 39 . HN 1 1 197 1 1 1 1 39 LEU H . 39 . HN 1 1 197 1 2 1 1 39 LEU HA . 39 . HA 1 1 198 1 1 1 1 39 LEU H . 39 . HN 1 1 198 1 2 1 1 39 LEU QB . 39 . HB# 1 1 199 1 1 1 1 39 LEU H . 39 . HN 1 1 199 1 2 1 1 40 SER H . 40 . HN 1 1 200 1 1 1 1 39 LEU H . 39 . HN 1 1 200 1 2 1 1 41 ASP H . 41 . HN 1 1 201 1 1 1 1 39 LEU H . 39 . HN 1 1 201 1 2 1 1 70 THR H . 70 . HN 1 1 202 1 1 1 1 39 LEU H . 39 . HN 1 1 202 1 2 1 1 71 TYR HA . 71 . HA 1 1 203 1 1 1 1 39 LEU HA . 39 . HA 1 1 203 1 2 1 1 40 SER H . 40 . HN 1 1 204 1 1 1 1 39 LEU QB . 39 . HB# 1 1 204 1 2 1 1 40 SER H . 40 . HN 1 1 205 1 1 1 1 40 SER H . 40 . HN 1 1 205 1 2 1 1 40 SER HA . 40 . HA 1 1 206 1 1 1 1 40 SER H . 40 . HN 1 1 206 1 2 1 1 41 ASP HA . 41 . HA 1 1 207 1 1 1 1 40 SER HA . 40 . HA 1 1 207 1 2 1 1 41 ASP H . 41 . HN 1 1 208 1 1 1 1 40 SER HA . 40 . HA 1 1 208 1 2 1 1 43 GLN H . 43 . HN 1 1 209 1 1 1 1 40 SER HA . 40 . HA 1 1 209 1 2 1 1 70 THR H . 70 . HN 1 1 210 1 1 1 1 40 SER QB . 40 . HB# 1 1 210 1 2 1 1 41 ASP H . 41 . HN 1 1 211 1 1 1 1 41 ASP H . 41 . HN 1 1 211 1 2 1 1 41 ASP HA . 41 . HA 1 1 212 1 1 1 1 41 ASP H . 41 . HN 1 1 212 1 2 1 1 41 ASP QB . 41 . HB# 1 1 213 1 1 1 1 41 ASP H . 41 . HN 1 1 213 1 2 1 1 42 SER H . 42 . HN 1 1 214 1 1 1 1 41 ASP HA . 41 . HA 1 1 214 1 2 1 1 42 SER H . 42 . HN 1 1 215 1 1 1 1 41 ASP QB . 41 . HB# 1 1 215 1 2 1 1 42 SER H . 42 . HN 1 1 216 1 1 1 1 42 SER H . 42 . HN 1 1 216 1 2 1 1 42 SER HA . 42 . HA 1 1 217 1 1 1 1 42 SER H . 42 . HN 1 1 217 1 2 1 1 43 GLN H . 43 . HN 1 1 218 1 1 1 1 42 SER HA . 42 . HA 1 1 218 1 2 1 1 43 GLN H . 43 . HN 1 1 219 1 1 1 1 42 SER HA . 42 . HA 1 1 219 1 2 1 1 44 LYS H . 44 . HN 1 1 220 1 1 1 1 42 SER QB . 42 . HB# 1 1 220 1 2 1 1 43 GLN H . 43 . HN 1 1 221 1 1 1 1 42 SER QB . 42 . HB# 1 1 221 1 2 1 1 44 LYS H . 44 . HN 1 1 222 1 1 1 1 43 GLN H . 43 . HN 1 1 222 1 2 1 1 43 GLN HA . 43 . HA 1 1 223 1 1 1 1 43 GLN H . 43 . HN 1 1 223 1 2 1 1 43 GLN QB . 43 . HB# 1 1 224 1 1 1 1 43 GLN H . 43 . HN 1 1 224 1 2 1 1 44 LYS H . 44 . HN 1 1 225 1 1 1 1 43 GLN HA . 43 . HA 1 1 225 1 2 1 1 44 LYS H . 44 . HN 1 1 226 1 1 1 1 43 GLN QB . 43 . HB# 1 1 226 1 2 1 1 44 LYS H . 44 . HN 1 1 227 1 1 1 1 44 LYS H . 44 . HN 1 1 227 1 2 1 1 44 LYS HA . 44 . HA 1 1 228 1 1 1 1 44 LYS H . 44 . HN 1 1 228 1 2 1 1 44 LYS QB . 44 . HB# 1 1 229 1 1 1 1 44 LYS H . 44 . HN 1 1 229 1 2 1 1 45 MET H . 45 . HN 1 1 230 1 1 1 1 44 LYS HA . 44 . HA 1 1 230 1 2 1 1 45 MET H . 45 . HN 1 1 231 1 1 1 1 44 LYS QB . 44 . HB# 1 1 231 1 2 1 1 45 MET H . 45 . HN 1 1 232 1 1 1 1 45 MET H . 45 . HN 1 1 232 1 2 1 1 45 MET HA . 45 . HA 1 1 233 1 1 1 1 45 MET H . 45 . HN 1 1 233 1 2 1 1 45 MET QB . 45 . HB# 1 1 234 1 1 1 1 45 MET HA . 45 . HA 1 1 234 1 2 1 1 48 SER H . 48 . HN 1 1 235 1 1 1 1 45 MET HA . 45 . HA 1 1 235 1 2 1 1 49 TRP H . 49 . HN 1 1 236 1 1 1 1 46 PRO HA . 46 . HA 1 1 236 1 2 1 1 47 THR H . 47 . HN 1 1 237 1 1 1 1 46 PRO HA . 46 . HA 1 1 237 1 2 1 1 49 TRP H . 49 . HN 1 1 238 1 1 1 1 46 PRO QB . 46 . HB# 1 1 238 1 2 1 1 47 THR H . 47 . HN 1 1 239 1 1 1 1 47 THR H . 47 . HN 1 1 239 1 2 1 1 47 THR HA . 47 . HA 1 1 240 1 1 1 1 47 THR H . 47 . HN 1 1 240 1 2 1 1 47 THR HB . 47 . HB# 1 1 241 1 1 1 1 47 THR H . 47 . HN 1 1 241 1 2 1 1 47 THR MG . 47 . HG2# 1 1 242 1 1 1 1 47 THR H . 47 . HN 1 1 242 1 2 1 1 48 SER H . 48 . HN 1 1 243 1 1 1 1 47 THR H . 47 . HN 1 1 243 1 2 1 1 48 SER HA . 48 . HA 1 1 244 1 1 1 1 47 THR HA . 47 . HA 1 1 244 1 2 1 1 48 SER H . 48 . HN 1 1 245 1 1 1 1 47 THR HA . 47 . HA 1 1 245 1 2 1 1 50 LEU H . 50 . HN 1 1 246 1 1 1 1 47 THR HB . 47 . HB 1 1 246 1 2 1 1 48 SER H . 48 . HN 1 1 247 1 1 1 1 47 THR MG . 47 . HG2# 1 1 247 1 2 1 1 48 SER H . 48 . HN 1 1 248 1 1 1 1 48 SER H . 48 . HN 1 1 248 1 2 1 1 48 SER HA . 48 . HA 1 1 249 1 1 1 1 48 SER H . 48 . HN 1 1 249 1 2 1 1 48 SER QB . 48 . HB# 1 1 250 1 1 1 1 48 SER H . 48 . HN 1 1 250 1 2 1 1 49 TRP H . 49 . HN 1 1 251 1 1 1 1 48 SER HA . 48 . HA 1 1 251 1 2 1 1 49 TRP H . 49 . HN 1 1 252 1 1 1 1 48 SER HA . 48 . HA 1 1 252 1 2 1 1 50 LEU H . 50 . HN 1 1 253 1 1 1 1 48 SER HA . 48 . HA 1 1 253 1 2 1 1 51 ALA H . 51 . HN 1 1 254 1 1 1 1 48 SER QB . 48 . HB# 1 1 254 1 2 1 1 49 TRP H . 49 . HN 1 1 255 1 1 1 1 49 TRP H . 49 . HN 1 1 255 1 2 1 1 49 TRP HA . 49 . HA 1 1 256 1 1 1 1 49 TRP H . 49 . HN 1 1 256 1 2 1 1 49 TRP QB . 49 . HB# 1 1 257 1 1 1 1 49 TRP H . 49 . HN 1 1 257 1 2 1 1 50 LEU H . 50 . HN 1 1 258 1 1 1 1 49 TRP HA . 49 . HA 1 1 258 1 2 1 1 50 LEU H . 50 . HN 1 1 259 1 1 1 1 49 TRP HA . 49 . HA 1 1 259 1 2 1 1 51 ALA H . 51 . HN 1 1 260 1 1 1 1 49 TRP HA . 49 . HA 1 1 260 1 2 1 1 52 GLU H . 52 . HN 1 1 261 1 1 1 1 49 TRP QB . 49 . HB# 1 1 261 1 2 1 1 50 LEU H . 50 . HN 1 1 262 1 1 1 1 49 TRP HE1 . 49 . HE1 1 1 262 1 2 1 1 60 VAL QG . 60 . HG* 1 1 263 1 1 1 1 50 LEU H . 50 . HN 1 1 263 1 2 1 1 50 LEU HA . 50 . HA 1 1 264 1 1 1 1 50 LEU H . 50 . HN 1 1 264 1 2 1 1 50 LEU QB . 50 . HB# 1 1 265 1 1 1 1 50 LEU H . 50 . HN 1 1 265 1 2 1 1 51 ALA H . 51 . HN 1 1 266 1 1 1 1 50 LEU HA . 50 . HA 1 1 266 1 2 1 1 51 ALA H . 51 . HN 1 1 267 1 1 1 1 50 LEU HA . 50 . HA 1 1 267 1 2 1 1 52 GLU H . 52 . HN 1 1 268 1 1 1 1 50 LEU HA . 50 . HA 1 1 268 1 2 1 1 53 MET H . 53 . HN 1 1 269 1 1 1 1 50 LEU QB . 50 . HB# 1 1 269 1 2 1 1 51 ALA H . 51 . HN 1 1 270 1 1 1 1 51 ALA H . 51 . HN 1 1 270 1 2 1 1 51 ALA MB . 51 . HB# 1 1 271 1 1 1 1 51 ALA H . 51 . HN 1 1 271 1 2 1 1 52 GLU H . 52 . HN 1 1 272 1 1 1 1 51 ALA HA . 51 . HA 1 1 272 1 2 1 1 52 GLU H . 52 . HN 1 1 273 1 1 1 1 51 ALA HA . 51 . HA 1 1 273 1 2 1 1 53 MET H . 53 . HN 1 1 274 1 1 1 1 51 ALA HA . 51 . HA 1 1 274 1 2 1 1 54 THR H . 54 . HN 1 1 275 1 1 1 1 51 ALA MB . 51 . HB# 1 1 275 1 2 1 1 52 GLU H . 52 . HN 1 1 276 1 1 1 1 52 GLU H . 52 . HN 1 1 276 1 2 1 1 52 GLU HA . 52 . HA 1 1 277 1 1 1 1 52 GLU H . 52 . HN 1 1 277 1 2 1 1 52 GLU QB . 52 . HB# 1 1 278 1 1 1 1 52 GLU H . 52 . HN 1 1 278 1 2 1 1 53 MET H . 53 . HN 1 1 279 1 1 1 1 52 GLU HA . 52 . HA 1 1 279 1 2 1 1 53 MET H . 53 . HN 1 1 280 1 1 1 1 52 GLU HA . 52 . HA 1 1 280 1 2 1 1 54 THR H . 54 . HN 1 1 281 1 1 1 1 52 GLU HA . 52 . HA 1 1 281 1 2 1 1 55 SER H . 55 . HN 1 1 282 1 1 1 1 52 GLU QB . 52 . HB# 1 1 282 1 2 1 1 53 MET H . 53 . HN 1 1 283 1 1 1 1 53 MET H . 53 . HN 1 1 283 1 2 1 1 53 MET HA . 53 . HA 1 1 284 1 1 1 1 53 MET H . 53 . HN 1 1 284 1 2 1 1 53 MET QB . 53 . HB# 1 1 285 1 1 1 1 53 MET H . 53 . HN 1 1 285 1 2 1 1 54 THR H . 54 . HN 1 1 286 1 1 1 1 53 MET HA . 53 . HA 1 1 286 1 2 1 1 54 THR H . 54 . HN 1 1 287 1 1 1 1 53 MET HA . 53 . HA 1 1 287 1 2 1 1 55 SER H . 55 . HN 1 1 288 1 1 1 1 53 MET QB . 53 . HB# 1 1 288 1 2 1 1 54 THR H . 54 . HN 1 1 289 1 1 1 1 53 MET HG2 . 53 . HG2# 1 1 289 1 2 1 1 54 THR H . 54 . HN 1 1 290 1 1 1 1 54 THR H . 54 . HN 1 1 290 1 2 1 1 54 THR HA . 54 . HA 1 1 291 1 1 1 1 54 THR H . 54 . HN 1 1 291 1 2 1 1 54 THR HB . 54 . HB 1 1 292 1 1 1 1 54 THR HA . 54 . HA 1 1 292 1 2 1 1 55 SER H . 55 . HN 1 1 293 1 1 1 1 54 THR HB . 54 . HB 1 1 293 1 2 1 1 55 SER H . 55 . HN 1 1 294 1 1 1 1 55 SER H . 55 . HN 1 1 294 1 2 1 1 55 SER HA . 55 . HA 1 1 295 1 1 1 1 55 SER HA . 55 . HA 1 1 295 1 2 1 1 56 SER H . 56 . HN 1 1 296 1 1 1 1 55 SER HA . 55 . HA 1 1 296 1 2 1 1 57 VAL H . 57 . HN 1 1 297 1 1 1 1 55 SER QB . 55 . HB# 1 1 297 1 2 1 1 56 SER H . 56 . HN 1 1 298 1 1 1 1 55 SER QB . 55 . HB# 1 1 298 1 2 1 1 57 VAL H . 57 . HN 1 1 299 1 1 1 1 56 SER H . 56 . HN 1 1 299 1 2 1 1 56 SER HA . 56 . HA 1 1 300 1 1 1 1 56 SER H . 56 . HN 1 1 300 1 2 1 1 56 SER QB . 56 . HB# 1 1 301 1 1 1 1 56 SER H . 56 . HN 1 1 301 1 2 1 1 57 VAL H . 57 . HN 1 1 302 1 1 1 1 56 SER HA . 56 . HA 1 1 302 1 2 1 1 57 VAL H . 57 . HN 1 1 303 1 1 1 1 56 SER QB . 56 . HB# 1 1 303 1 2 1 1 57 VAL H . 57 . HN 1 1 304 1 1 1 1 57 VAL H . 57 . HN 1 1 304 1 2 1 1 57 VAL HA . 57 . HA 1 1 305 1 1 1 1 57 VAL H . 57 . HN 1 1 305 1 2 1 1 57 VAL HB . 57 . HB 1 1 306 1 1 1 1 57 VAL HA . 57 . HA 1 1 306 1 2 1 1 58 ILE H . 58 . HN 1 1 307 1 1 1 1 57 VAL HB . 57 . HB 1 1 307 1 2 1 1 58 ILE H . 58 . HN 1 1 308 1 1 1 1 58 ILE H . 58 . HN 1 1 308 1 2 1 1 58 ILE HA . 58 . HA 1 1 309 1 1 1 1 58 ILE H . 58 . HN 1 1 309 1 2 1 1 58 ILE HB . 58 . HB 1 1 310 1 1 1 1 58 ILE HA . 58 . HA 1 1 310 1 2 1 1 59 SER H . 59 . HN 1 1 311 1 1 1 1 58 ILE HB . 58 . HB 1 1 311 1 2 1 1 59 SER H . 59 . HN 1 1 312 1 1 1 1 59 SER H . 59 . HN 1 1 312 1 2 1 1 59 SER HA . 59 . HA 1 1 313 1 1 1 1 59 SER H . 59 . HN 1 1 313 1 2 1 1 59 SER QB . 59 . HB# 1 1 314 1 1 1 1 59 SER HA . 59 . HA 1 1 314 1 2 1 1 60 VAL H . 60 . HN 1 1 315 1 1 1 1 59 SER QB . 59 . HB# 1 1 315 1 2 1 1 60 VAL H . 60 . HN 1 1 316 1 1 1 1 60 VAL H . 60 . HN 1 1 316 1 2 1 1 60 VAL HA . 60 . HA 1 1 317 1 1 1 1 60 VAL H . 60 . HN 1 1 317 1 2 1 1 60 VAL HB . 60 . HB 1 1 318 1 1 1 1 60 VAL HA . 60 . HA 1 1 318 1 2 1 1 61 LYS H . 61 . HN 1 1 319 1 1 1 1 60 VAL HB . 60 . HB 1 1 319 1 2 1 1 61 LYS H . 61 . HN 1 1 320 1 1 1 1 60 VAL QG . 60 . HG* 1 1 320 1 2 1 1 61 LYS H . 61 . HN 1 1 321 1 1 1 1 61 LYS H . 61 . HN 1 1 321 1 2 1 1 61 LYS HA . 61 . HA 1 1 322 1 1 1 1 61 LYS H . 61 . HN 1 1 322 1 2 1 1 61 LYS QB . 61 . HB# 1 1 323 1 1 1 1 61 LYS H . 61 . HN 1 1 323 1 2 1 1 62 ASN H . 62 . HN 1 1 324 1 1 1 1 61 LYS HA . 61 . HA 1 1 324 1 2 1 1 62 ASN H . 62 . HN 1 1 325 1 1 1 1 61 LYS HA . 61 . HA 1 1 325 1 2 1 1 63 ALA H . 63 . HN 1 1 326 1 1 1 1 61 LYS QB . 61 . HB# 1 1 326 1 2 1 1 62 ASN H . 62 . HN 1 1 327 1 1 1 1 62 ASN H . 62 . HN 1 1 327 1 2 1 1 62 ASN HA . 62 . HA 1 1 328 1 1 1 1 62 ASN H . 62 . HN 1 1 328 1 2 1 1 62 ASN QB . 62 . HB# 1 1 329 1 1 1 1 62 ASN H . 62 . HN 1 1 329 1 2 1 1 63 ALA H . 63 . HN 1 1 330 1 1 1 1 62 ASN HA . 62 . HA 1 1 330 1 2 1 1 63 ALA H . 63 . HN 1 1 331 1 1 1 1 62 ASN QB . 62 . HB# 1 1 331 1 2 1 1 63 ALA H . 63 . HN 1 1 332 1 1 1 1 63 ALA H . 63 . HN 1 1 332 1 2 1 1 63 ALA HA . 63 . HA 1 1 333 1 1 1 1 63 ALA H . 63 . HN 1 1 333 1 2 1 1 63 ALA MB . 63 . HB# 1 1 334 1 1 1 1 63 ALA H . 63 . HN 1 1 334 1 2 1 1 64 SER H . 64 . HN 1 1 335 1 1 1 1 63 ALA HA . 63 . HA 1 1 335 1 2 1 1 64 SER H . 64 . HN 1 1 336 1 1 1 1 63 ALA MB . 63 . HB# 1 1 336 1 2 1 1 64 SER H . 64 . HN 1 1 337 1 1 1 1 64 SER H . 64 . HN 1 1 337 1 2 1 1 64 SER HA . 64 . HA 1 1 338 1 1 1 1 64 SER H . 64 . HN 1 1 338 1 2 1 1 64 SER QB . 64 . HB# 1 1 339 1 1 1 1 64 SER H . 64 . HN 1 1 339 1 2 1 1 65 SER H . 65 . HN 1 1 340 1 1 1 1 64 SER H . 64 . HN 1 1 340 1 2 1 1 66 GLU H . 66 . HN 1 1 341 1 1 1 1 64 SER H . 64 . HN 1 1 341 1 2 1 1 67 TYR H . 67 . HN 1 1 342 1 1 1 1 64 SER H . 64 . HN 1 1 342 1 2 1 1 67 TYR QD . 67 . HD* 1 1 343 1 1 1 1 64 SER HA . 64 . HA 1 1 343 1 2 1 1 65 SER H . 65 . HN 1 1 344 1 1 1 1 64 SER HA . 64 . HA 1 1 344 1 2 1 1 65 SER HA . 65 . HA 1 1 345 1 1 1 1 64 SER HA . 64 . HA 1 1 345 1 2 1 1 66 GLU H . 66 . HN 1 1 346 1 1 1 1 64 SER HA . 64 . HA 1 1 346 1 2 1 1 67 TYR H . 67 . HN 1 1 347 1 1 1 1 64 SER QB . 64 . HB# 1 1 347 1 2 1 1 65 SER H . 65 . HN 1 1 348 1 1 1 1 64 SER QB . 64 . HB# 1 1 348 1 2 1 1 66 GLU H . 66 . HN 1 1 349 1 1 1 1 65 SER H . 65 . HN 1 1 349 1 2 1 1 65 SER HA . 65 . HA 1 1 350 1 1 1 1 65 SER H . 65 . HN 1 1 350 1 2 1 1 65 SER QB . 65 . HB# 1 1 351 1 1 1 1 65 SER H . 65 . HN 1 1 351 1 2 1 1 66 GLU H . 66 . HN 1 1 352 1 1 1 1 65 SER HA . 65 . HA 1 1 352 1 2 1 1 66 GLU H . 66 . HN 1 1 353 1 1 1 1 65 SER HA . 65 . HA 1 1 353 1 2 1 1 67 TYR H . 67 . HN 1 1 354 1 1 1 1 65 SER QB . 65 . HB# 1 1 354 1 2 1 1 66 GLU H . 66 . HN 1 1 355 1 1 1 1 66 GLU H . 66 . HN 1 1 355 1 2 1 1 66 GLU HA . 66 . HA 1 1 356 1 1 1 1 66 GLU H . 66 . HN 1 1 356 1 2 1 1 66 GLU QB . 66 . HB# 1 1 357 1 1 1 1 66 GLU H . 66 . HN 1 1 357 1 2 1 1 67 TYR H . 67 . HN 1 1 358 1 1 1 1 66 GLU H . 66 . HN 1 1 358 1 2 1 1 67 TYR QD . 67 . HD* 1 1 359 1 1 1 1 66 GLU HA . 66 . HA 1 1 359 1 2 1 1 67 TYR H . 67 . HN 1 1 360 1 1 1 1 66 GLU QB . 66 . HB# 1 1 360 1 2 1 1 67 TYR H . 67 . HN 1 1 361 1 1 1 1 67 TYR H . 67 . HN 1 1 361 1 2 1 1 67 TYR HA . 67 . HA 1 1 362 1 1 1 1 67 TYR H . 67 . HN 1 1 362 1 2 1 1 67 TYR QB . 67 . HB# 1 1 363 1 1 1 1 67 TYR H . 67 . HN 1 1 363 1 2 1 1 67 TYR QD . 67 . HD* 1 1 364 1 1 1 1 67 TYR H . 67 . HN 1 1 364 1 2 1 1 68 SER H . 68 . HN 1 1 365 1 1 1 1 67 TYR H . 67 . HN 1 1 365 1 2 1 1 90 VAL H . 90 . HN 1 1 366 1 1 1 1 67 TYR HA . 67 . HA 1 1 366 1 2 1 1 68 SER H . 68 . HN 1 1 367 1 1 1 1 67 TYR QB . 67 . HB# 1 1 367 1 2 1 1 68 SER H . 68 . HN 1 1 368 1 1 1 1 67 TYR QD . 67 . HD* 1 1 368 1 2 1 1 68 SER H . 68 . HN 1 1 369 1 1 1 1 68 SER H . 68 . HN 1 1 369 1 2 1 1 68 SER HA . 68 . HA 1 1 370 1 1 1 1 68 SER H . 68 . HN 1 1 370 1 2 1 1 68 SER QB . 68 . HB# 1 1 371 1 1 1 1 68 SER H . 68 . HN 1 1 371 1 2 1 1 69 GLY H . 69 . HN 1 1 372 1 1 1 1 68 SER HA . 68 . HA 1 1 372 1 2 1 1 69 GLY H . 69 . HN 1 1 373 1 1 1 1 68 SER HA . 68 . HA 1 1 373 1 2 1 1 89 ASN HA . 89 . HA 1 1 374 1 1 1 1 68 SER HA . 68 . HA 1 1 374 1 2 1 1 90 VAL H . 90 . HN 1 1 375 1 1 1 1 69 GLY H . 69 . HN 1 1 375 1 2 1 1 88 LEU H . 88 . HN 1 1 376 1 1 1 1 69 GLY H . 69 . HN 1 1 376 1 2 1 1 89 ASN HA . 89 . HA 1 1 377 1 1 1 1 69 GLY QA . 69 . HA# 1 1 377 1 2 1 1 70 THR H . 70 . HN 1 1 378 1 1 1 1 70 THR H . 70 . HN 1 1 378 1 2 1 1 70 THR HB . 70 . HB 1 1 379 1 1 1 1 70 THR HA . 70 . HA 1 1 379 1 2 1 1 71 TYR H . 71 . HN 1 1 380 1 1 1 1 70 THR HA . 70 . HA 1 1 380 1 2 1 1 88 LEU H . 88 . HN 1 1 381 1 1 1 1 71 TYR H . 71 . HN 1 1 381 1 2 1 1 71 TYR HA . 71 . HA 1 1 382 1 1 1 1 71 TYR H . 71 . HN 1 1 382 1 2 1 1 86 LEU H . 86 . HN 1 1 383 1 1 1 1 71 TYR H . 71 . HN 1 1 383 1 2 1 1 87 ARG HA . 87 . HA 1 1 384 1 1 1 1 71 TYR H . 71 . HN 1 1 384 1 2 1 1 88 LEU H . 88 . HN 1 1 385 1 1 1 1 71 TYR HA . 71 . HA 1 1 385 1 2 1 1 72 SER H . 72 . HN 1 1 386 1 1 1 1 71 TYR QD . 71 . HD* 1 1 386 1 2 1 1 72 SER H . 72 . HN 1 1 387 1 1 1 1 71 TYR QE . 71 . HE* 1 1 387 1 2 1 1 72 SER H . 72 . HN 1 1 388 1 1 1 1 72 SER H . 72 . HN 1 1 388 1 2 1 1 72 SER HA . 72 . HA 1 1 389 1 1 1 1 72 SER HA . 72 . HA 1 1 389 1 2 1 1 73 CYS H . 73 . HN 1 1 390 1 1 1 1 72 SER HA . 72 . HA 1 1 390 1 2 1 1 86 LEU H . 86 . HN 1 1 391 1 1 1 1 73 CYS H . 73 . HN 1 1 391 1 2 1 1 84 CYS H . 84 . HN 1 1 392 1 1 1 1 73 CYS H . 73 . HN 1 1 392 1 2 1 1 85 LEU HA . 85 . HA 1 1 393 1 1 1 1 73 CYS HA . 73 . HA 1 1 393 1 2 1 1 74 THR H . 74 . HN 1 1 394 1 1 1 1 73 CYS QB . 73 . HB# 1 1 394 1 2 1 1 74 THR H . 74 . HN 1 1 395 1 1 1 1 74 THR H . 74 . HN 1 1 395 1 2 1 1 74 THR HA . 74 . HA 1 1 396 1 1 1 1 74 THR H . 74 . HN 1 1 396 1 2 1 1 74 THR HB . 74 . HB 1 1 397 1 1 1 1 74 THR H . 74 . HN 1 1 397 1 2 1 1 74 THR MG . 74 . HG2# 1 1 398 1 1 1 1 74 THR HA . 74 . HA 1 1 398 1 2 1 1 75 VAL H . 75 . HN 1 1 399 1 1 1 1 74 THR HA . 74 . HA 1 1 399 1 2 1 1 84 CYS H . 84 . HN 1 1 400 1 1 1 1 74 THR HB . 74 . HB 1 1 400 1 2 1 1 75 VAL H . 75 . HN 1 1 401 1 1 1 1 74 THR MG . 74 . HG2# 1 1 401 1 2 1 1 75 VAL H . 75 . HN 1 1 402 1 1 1 1 75 VAL H . 75 . HN 1 1 402 1 2 1 1 75 VAL HA . 75 . HA 1 1 403 1 1 1 1 75 VAL H . 75 . HN 1 1 403 1 2 1 1 75 VAL HB . 75 . HB 1 1 404 1 1 1 1 75 VAL H . 75 . HN 1 1 404 1 2 1 1 82 ASP H . 82 . HN 1 1 405 1 1 1 1 75 VAL H . 75 . HN 1 1 405 1 2 1 1 83 GLN HA . 83 . HA 1 1 406 1 1 1 1 75 VAL HA . 75 . HA 1 1 406 1 2 1 1 76 ARG H . 76 . HN 1 1 407 1 1 1 1 75 VAL HB . 75 . HB 1 1 407 1 2 1 1 76 ARG H . 76 . HN 1 1 408 1 1 1 1 76 ARG H . 76 . HN 1 1 408 1 2 1 1 76 ARG QB . 76 . HB# 1 1 409 1 1 1 1 76 ARG HA . 76 . HA 1 1 409 1 2 1 1 77 ASN H . 77 . HN 1 1 410 1 1 1 1 76 ARG HA . 76 . HA 1 1 410 1 2 1 1 81 SER HA . 81 . HA 1 1 411 1 1 1 1 76 ARG HA . 76 . HA 1 1 411 1 2 1 1 82 ASP H . 82 . HN 1 1 412 1 1 1 1 76 ARG QB . 76 . HB# 1 1 412 1 2 1 1 77 ASN H . 77 . HN 1 1 413 1 1 1 1 77 ASN H . 77 . HN 1 1 413 1 2 1 1 77 ASN HA . 77 . HA 1 1 414 1 1 1 1 77 ASN H . 77 . HN 1 1 414 1 2 1 1 77 ASN QB . 77 . HB# 1 1 415 1 1 1 1 77 ASN H . 77 . HN 1 1 415 1 2 1 1 79 VAL H . 79 . HN 1 1 416 1 1 1 1 77 ASN H . 77 . HN 1 1 416 1 2 1 1 80 GLY H . 80 . HN 1 1 417 1 1 1 1 77 ASN H . 77 . HN 1 1 417 1 2 1 1 81 SER HA . 81 . HA 1 1 418 1 1 1 1 77 ASN H . 77 . HN 1 1 418 1 2 1 1 81 SER QB . 81 . HB# 1 1 419 1 1 1 1 77 ASN HA . 77 . HA 1 1 419 1 2 1 1 78 ARG H . 78 . HN 1 1 420 1 1 1 1 77 ASN HA . 77 . HA 1 1 420 1 2 1 1 79 VAL H . 79 . HN 1 1 421 1 1 1 1 77 ASN QB . 77 . HB# 1 1 421 1 2 1 1 78 ARG H . 78 . HN 1 1 422 1 1 1 1 77 ASN QB . 77 . HB# 1 1 422 1 2 1 1 79 VAL H . 79 . HN 1 1 423 1 1 1 1 78 ARG H . 78 . HN 1 1 423 1 2 1 1 78 ARG QB . 78 . HB# 1 1 424 1 1 1 1 78 ARG H . 78 . HN 1 1 424 1 2 1 1 79 VAL H . 79 . HN 1 1 425 1 1 1 1 78 ARG HA . 78 . HA 1 1 425 1 2 1 1 79 VAL H . 79 . HN 1 1 426 1 1 1 1 78 ARG QB . 78 . HB# 1 1 426 1 2 1 1 79 VAL H . 79 . HN 1 1 427 1 1 1 1 79 VAL H . 79 . HN 1 1 427 1 2 1 1 79 VAL HA . 79 . HA 1 1 428 1 1 1 1 79 VAL H . 79 . HN 1 1 428 1 2 1 1 79 VAL HB . 79 . HB# 1 1 429 1 1 1 1 79 VAL H . 79 . HN 1 1 429 1 2 1 1 79 VAL QG . 79 . HG* 1 1 430 1 1 1 1 79 VAL H . 79 . HN 1 1 430 1 2 1 1 80 GLY H . 80 . HN 1 1 431 1 1 1 1 79 VAL HA . 79 . HA 1 1 431 1 2 1 1 80 GLY H . 80 . HN 1 1 432 1 1 1 1 79 VAL HB . 79 . HB 1 1 432 1 2 1 1 80 GLY H . 80 . HN 1 1 433 1 1 1 1 79 VAL QG . 79 . HG* 1 1 433 1 2 1 1 80 GLY H . 80 . HN 1 1 434 1 1 1 1 80 GLY QA . 80 . HA# 1 1 434 1 2 1 1 81 SER H . 81 . HN 1 1 435 1 1 1 1 81 SER H . 81 . HN 1 1 435 1 2 1 1 81 SER HA . 81 . HA 1 1 436 1 1 1 1 81 SER H . 81 . HN 1 1 436 1 2 1 1 81 SER QB . 81 . HB# 1 1 437 1 1 1 1 81 SER HA . 81 . HA 1 1 437 1 2 1 1 82 ASP H . 82 . HN 1 1 438 1 1 1 1 81 SER QB . 81 . HB# 1 1 438 1 2 1 1 82 ASP H . 82 . HN 1 1 439 1 1 1 1 82 ASP H . 82 . HN 1 1 439 1 2 1 1 82 ASP HA . 82 . HA 1 1 440 1 1 1 1 82 ASP H . 82 . HN 1 1 440 1 2 1 1 82 ASP QB . 82 . HB# 1 1 441 1 1 1 1 82 ASP HA . 82 . HA 1 1 441 1 2 1 1 83 GLN H . 83 . HN 1 1 442 1 1 1 1 82 ASP QB . 82 . HB# 1 1 442 1 2 1 1 83 GLN H . 83 . HN 1 1 443 1 1 1 1 83 GLN H . 83 . HN 1 1 443 1 2 1 1 83 GLN HA . 83 . HA 1 1 444 1 1 1 1 83 GLN H . 83 . HN 1 1 444 1 2 1 1 83 GLN QB . 83 . HB# 1 1 445 1 1 1 1 83 GLN HA . 83 . HA 1 1 445 1 2 1 1 84 CYS H . 84 . HN 1 1 446 1 1 1 1 84 CYS HA . 84 . HA 1 1 446 1 2 1 1 85 LEU H . 85 . HN 1 1 447 1 1 1 1 85 LEU H . 85 . HN 1 1 447 1 2 1 1 85 LEU HA . 85 . HA 1 1 448 1 1 1 1 85 LEU HA . 85 . HA 1 1 448 1 2 1 1 86 LEU H . 86 . HN 1 1 449 1 1 1 1 86 LEU H . 86 . HN 1 1 449 1 2 1 1 86 LEU HA . 86 . HA 1 1 450 1 1 1 1 86 LEU HA . 86 . HA 1 1 450 1 2 1 1 87 ARG H . 87 . HN 1 1 451 1 1 1 1 87 ARG HA . 87 . HA 1 1 451 1 2 1 1 88 LEU H . 88 . HN 1 1 452 1 1 1 1 88 LEU H . 88 . HN 1 1 452 1 2 1 1 88 LEU HA . 88 . HA 1 1 453 1 1 1 1 88 LEU HA . 88 . HA 1 1 453 1 2 1 1 89 ASN H . 89 . HN 1 1 454 1 1 1 1 89 ASN H . 89 . HN 1 1 454 1 2 1 1 89 ASN HA . 89 . HA 1 1 455 1 1 1 1 89 ASN HA . 89 . HA 1 1 455 1 2 1 1 90 VAL H . 90 . HN 1 1 456 1 1 1 1 90 VAL H . 90 . HN 1 1 456 1 2 1 1 90 VAL HA . 90 . HA 1 1 457 1 1 1 1 90 VAL HA . 90 . HA 1 1 457 1 2 1 1 91 VAL H . 91 . HN 1 1 458 1 1 1 1 91 VAL H . 91 . HN 1 1 458 1 2 1 1 91 VAL HA . 91 . HA 1 1 459 1 1 1 1 93 PRO HA . 93 . HA 1 1 459 1 2 1 1 94 SER H . 94 . HN 1 1 460 1 1 1 1 94 SER HA . 94 . HA 1 1 460 1 2 1 1 95 ASN H . 95 . HN 1 1 461 1 1 1 1 95 ASN HA . 95 . HA 1 1 461 1 2 1 1 96 LYS H . 96 . HN 1 1 462 1 1 1 1 96 LYS H . 96 . HN 1 1 462 1 2 1 1 96 LYS HA . 96 . HA 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 . . . . . 2.5 1.8 2.9 1 1 2 1 . . . . . 2.5 1.8 2.9 1 1 3 1 . . . . . 2.5 1.8 2.9 1 1 4 1 . . . . . 4.0 1.8 5.0 1 1 5 1 . . . . . 3.0 1.8 3.5 1 1 6 1 . . . . . 4.0 1.8 5.0 1 1 7 1 . . . . . 4.0 1.8 5.0 1 1 8 1 . . . . . 3.0 1.8 3.5 1 1 9 1 . . . . . 4.0 1.8 5.0 1 1 10 1 . . . . . 2.5 1.8 2.9 1 1 11 1 . . . . . 4.0 1.8 6.0 1 1 12 1 . . . . . 4.0 1.8 6.0 1 1 13 1 . . . . . 3.0 1.8 3.5 1 1 14 1 . . . . . 3.0 1.8 3.5 1 1 15 1 . . . . . 2.5 1.8 2.9 1 1 16 1 . . . . . 3.0 1.8 3.5 1 1 17 1 . . . . . 3.0 1.8 3.5 1 1 18 1 . . . . . 2.5 1.8 2.9 1 1 19 1 . . . . . 4.0 1.8 5.5 1 1 20 1 . . . . . 4.0 1.8 5.5 1 1 21 1 . . . . . 3.0 1.8 3.5 1 1 22 1 . . . . . 3.0 1.8 3.5 1 1 23 1 . . . . . 3.0 1.8 3.5 1 1 24 1 . . . . . 2.5 1.8 2.9 1 1 25 1 . . . . . 4.0 1.8 5.0 1 1 26 1 . . . . . 3.0 1.8 3.5 1 1 27 1 . . . . . 2.5 1.8 2.9 1 1 28 1 . . . . . 3.0 1.8 3.3 1 1 29 1 . . . . . 4.0 1.8 5.0 1 1 30 1 . . . . . 4.0 1.8 5.0 1 1 31 1 . . . . . 3.0 1.8 3.5 1 1 32 1 . . . . . 3.0 1.8 3.5 1 1 33 1 . . . . . 3.0 1.8 3.5 1 1 34 1 . . . . . 4.0 1.8 5.0 1 1 35 1 . . . . . 4.0 1.8 5.0 1 1 36 1 . . . . . 4.0 1.8 6.0 1 1 37 1 . . . . . 2.5 1.8 2.9 1 1 38 1 . . . . . 3.0 1.8 3.5 1 1 39 1 . . . . . 3.0 1.8 3.5 1 1 40 1 . . . . . 3.0 1.8 3.5 1 1 41 1 . . . . . 4.0 1.8 5.5 1 1 42 1 . . . . . 2.5 1.8 2.9 1 1 43 1 . . . . . 3.0 1.8 3.5 1 1 44 1 . . . . . 4.0 1.8 5.5 1 1 45 1 . . . . . 3.0 1.8 3.5 1 1 46 1 . . . . . 3.0 1.8 3.5 1 1 47 1 . . . . . 4.0 1.8 5.0 1 1 48 1 . . . . . 4.0 1.8 5.0 1 1 49 1 . . . . . 4.0 1.8 5.0 1 1 50 1 . . . . . 2.5 1.8 2.9 1 1 51 1 . . . . . 4.0 1.8 5.0 1 1 52 1 . . . . . 2.5 1.8 2.9 1 1 53 1 . . . . . 3.0 1.8 3.5 1 1 54 1 . . . . . 4.0 1.8 5.0 1 1 55 1 . . . . . 3.0 1.8 3.5 1 1 56 1 . . . . . 3.0 1.8 3.5 1 1 57 1 . . . . . 3.0 1.8 3.5 1 1 58 1 . . . . . 3.0 1.8 3.5 1 1 59 1 . . . . . 2.5 1.8 2.9 1 1 60 1 . . . . . 4.0 1.8 6.0 1 1 61 1 . . . . . 4.0 1.8 5.0 1 1 62 1 . . . . . 3.0 1.8 3.5 1 1 63 1 . . . . . 4.0 1.8 6.0 1 1 64 1 . . . . . 3.0 1.8 3.5 1 1 65 1 . . . . . 3.0 1.8 3.5 1 1 66 1 . . . . . 4.0 1.8 5.0 1 1 67 1 . . . . . 3.0 1.8 3.5 1 1 68 1 . . . . . 2.5 1.8 2.9 1 1 69 1 . . . . . 3.0 1.8 3.5 1 1 70 1 . . . . . 3.0 1.8 3.5 1 1 71 1 . . . . . 4.0 1.8 5.0 1 1 72 1 . . . . . 4.0 1.8 5.0 1 1 73 1 . . . . . 4.0 1.8 6.0 1 1 74 1 . . . . . 4.0 1.8 5.5 1 1 75 1 . . . . . 2.5 1.8 2.9 1 1 76 1 . . . . . 4.0 1.8 5.0 1 1 77 1 . . . . . 3.0 1.8 3.5 1 1 78 1 . . . . . 4.0 1.8 5.0 1 1 79 1 . . . . . 4.0 1.8 5.5 1 1 80 1 . . . . . 4.0 1.8 5.0 1 1 81 1 . . . . . 3.0 1.8 3.5 1 1 82 1 . . . . . 3.0 1.8 3.5 1 1 83 1 . . . . . 4.0 1.8 5.0 1 1 84 1 . . . . . 3.0 1.8 3.5 1 1 85 1 . . . . . 4.0 1.8 5.0 1 1 86 1 . . . . . 4.0 1.8 5.0 1 1 87 1 . . . . . 4.0 1.8 5.5 1 1 88 1 . . . . . 3.0 1.8 3.5 1 1 89 1 . . . . . 3.0 0.8 4.0 1 1 90 1 . . . . . 3.0 1.8 3.5 1 1 91 1 . . . . . 3.0 1.8 3.5 1 1 92 1 . . . . . 4.0 1.8 5.0 1 1 93 1 . . . . . 4.0 1.8 5.0 1 1 94 1 . . . . . 4.0 1.8 5.0 1 1 95 1 . . . . . 4.0 1.8 6.5 1 1 96 1 . . . . . 2.5 1.8 2.9 1 1 97 1 . . . . . 3.0 1.8 3.5 1 1 98 1 . . . . . 3.0 1.8 3.5 1 1 99 1 . . . . . 3.0 1.8 3.5 1 1 100 1 . . . . . 2.5 1.8 2.9 1 1 101 1 . . . . . 3.0 1.8 3.5 1 1 102 1 . . . . . 4.0 1.8 6.0 1 1 103 1 . . . . . 3.0 1.8 3.5 1 1 104 1 . . . . . 4.0 1.8 6.0 1 1 105 1 . . . . . 3.0 1.8 3.5 1 1 106 1 . . . . . 4.0 1.8 5.0 1 1 107 1 . . . . . 4.0 1.8 5.0 1 1 108 1 . . . . . 3.0 1.8 3.5 1 1 109 1 . . . . . 4.0 1.8 6.0 1 1 110 1 . . . . . 2.5 1.8 2.9 1 1 111 1 . . . . . 3.0 1.8 3.5 1 1 112 1 . . . . . 4.0 1.8 6.0 1 1 113 1 . . . . . 4.0 1.8 5.0 1 1 114 1 . . . . . 4.0 1.8 5.0 1 1 115 1 . . . . . 3.0 1.8 3.5 1 1 116 1 . . . . . 3.0 1.8 3.5 1 1 117 1 . . . . . 2.5 1.8 2.9 1 1 118 1 . . . . . 3.0 1.8 3.5 1 1 119 1 . . . . . 3.0 1.8 3.5 1 1 120 1 . . . . . 3.0 1.8 3.5 1 1 121 1 . . . . . 4.0 1.8 5.0 1 1 122 1 . . . . . 3.0 1.8 3.5 1 1 123 1 . . . . . 2.5 1.8 2.9 1 1 124 1 . . . . . 3.0 1.8 3.5 1 1 125 1 . . . . . 3.0 1.8 3.5 1 1 126 1 . . . . . 4.0 1.8 5.0 1 1 127 1 . . . . . 2.5 1.8 2.9 1 1 128 1 . . . . . 4.0 1.8 5.0 1 1 129 1 . . . . . 3.0 1.8 3.5 1 1 130 1 . . . . . 3.0 1.8 3.5 1 1 131 1 . . . . . 4.0 1.8 5.0 1 1 132 1 . . . . . 4.0 1.8 5.0 1 1 133 1 . . . . . 3.0 1.8 3.5 1 1 134 1 . . . . . 3.0 1.8 3.5 1 1 135 1 . . . . . 2.5 1.8 2.9 1 1 136 1 . . . . . 3.0 1.8 3.5 1 1 137 1 . . . . . 3.0 1.8 3.5 1 1 138 1 . . . . . 2.5 1.8 2.9 1 1 139 1 . . . . . 4.0 1.8 5.0 1 1 140 1 . . . . . 3.0 1.8 3.5 1 1 141 1 . . . . . 3.0 1.8 3.5 1 1 142 1 . . . . . 2.5 1.8 3.0 1 1 143 1 . . . . . 3.0 1.8 3.5 1 1 144 1 . . . . . 4.0 1.8 5.0 1 1 145 1 . . . . . 2.5 1.8 2.9 1 1 146 1 . . . . . 3.0 1.8 3.5 1 1 147 1 . . . . . 3.0 1.8 3.5 1 1 148 1 . . . . . 3.0 1.8 3.5 1 1 149 1 . . . . . 4.0 1.8 5.0 1 1 150 1 . . . . . 3.0 1.8 3.5 1 1 151 1 . . . . . 3.0 1.8 3.5 1 1 152 1 . . . . . 3.0 1.8 3.5 1 1 153 1 . . . . . 4.0 1.8 5.0 1 1 154 1 . . . . . 3.0 1.8 3.5 1 1 155 1 . . . . . 3.0 1.8 3.5 1 1 156 1 . . . . . 3.0 1.8 3.5 1 1 157 1 . . . . . 3.0 1.8 3.5 1 1 158 1 . . . . . 3.0 1.8 3.5 1 1 159 1 . . . . . 3.0 1.8 3.5 1 1 160 1 . . . . . 3.0 1.8 3.5 1 1 161 1 . . . . . 2.5 1.8 2.9 1 1 162 1 . . . . . 3.0 1.8 3.5 1 1 163 1 . . . . . 3.0 1.8 3.5 1 1 164 1 . . . . . 3.0 1.8 3.5 1 1 165 1 . . . . . 3.0 1.8 3.5 1 1 166 1 . . . . . 2.5 1.8 2.9 1 1 167 1 . . . . . 3.0 1.8 3.5 1 1 168 1 . . . . . 3.0 1.8 3.5 1 1 169 1 . . . . . 4.0 1.8 6.0 1 1 170 1 . . . . . 3.0 1.8 3.5 1 1 171 1 . . . . . 3.0 1.8 3.5 1 1 172 1 . . . . . 4.0 1.8 5.0 1 1 173 1 . . . . . 4.0 1.8 5.0 1 1 174 1 . . . . . 3.0 1.8 3.5 1 1 175 1 . . . . . 2.5 1.8 2.9 1 1 176 1 . . . . . 4.0 1.8 5.0 1 1 177 1 . . . . . 3.0 1.8 3.5 1 1 178 1 . . . . . 4.0 1.8 5.0 1 1 179 1 . . . . . 4.0 1.8 5.0 1 1 180 1 . . . . . 2.5 1.8 2.9 1 1 181 1 . . . . . 3.0 1.8 3.5 1 1 182 1 . . . . . 3.0 1.8 3.5 1 1 183 1 . . . . . 3.0 1.8 3.5 1 1 184 1 . . . . . 4.0 1.8 5.0 1 1 185 1 . . . . . 3.0 1.8 3.5 1 1 186 1 . . . . . 3.0 1.8 3.5 1 1 187 1 . . . . . 3.0 1.8 3.5 1 1 188 1 . . . . . 3.0 1.8 3.5 1 1 189 1 . . . . . 2.5 1.8 2.9 1 1 190 1 . . . . . 3.0 1.8 3.5 1 1 191 1 . . . . . 3.0 1.8 3.5 1 1 192 1 . . . . . 3.0 1.8 3.5 1 1 193 1 . . . . . 2.5 1.8 2.9 1 1 194 1 . . . . . 3.0 1.8 3.5 1 1 195 1 . . . . . 3.0 1.8 3.5 1 1 196 1 . . . . . 3.0 1.8 3.5 1 1 197 1 . . . . . 3.0 1.8 3.5 1 1 198 1 . . . . . 3.0 1.8 3.5 1 1 199 1 . . . . . 3.0 1.8 3.5 1 1 200 1 . . . . . 4.0 1.8 6.0 1 1 201 1 . . . . . 4.0 1.8 5.0 1 1 202 1 . . . . . 3.0 1.8 3.5 1 1 203 1 . . . . . 3.0 1.8 3.5 1 1 204 1 . . . . . 3.0 1.8 3.5 1 1 205 1 . . . . . 3.0 1.8 3.5 1 1 206 1 . . . . . 4.0 1.8 5.0 1 1 207 1 . . . . . 3.0 1.8 3.5 1 1 208 1 . . . . . 4.0 1.8 5.0 1 1 209 1 . . . . . 4.0 1.8 5.0 1 1 210 1 . . . . . 3.0 1.8 3.5 1 1 211 1 . . . . . 3.0 1.8 3.5 1 1 212 1 . . . . . 3.0 1.8 3.5 1 1 213 1 . . . . . 3.0 1.8 3.5 1 1 214 1 . . . . . 3.0 1.8 3.5 1 1 215 1 . . . . . 3.0 1.8 3.5 1 1 216 1 . . . . . 3.0 1.8 3.5 1 1 217 1 . . . . . 3.0 1.8 3.5 1 1 218 1 . . . . . 3.0 1.8 3.5 1 1 219 1 . . . . . 4.0 1.8 6.0 1 1 220 1 . . . . . 3.0 1.8 3.5 1 1 221 1 . . . . . 3.0 1.8 3.5 1 1 222 1 . . . . . 3.0 1.8 3.5 1 1 223 1 . . . . . 3.0 1.8 3.5 1 1 224 1 . . . . . 3.0 1.8 3.5 1 1 225 1 . . . . . 3.0 1.8 3.5 1 1 226 1 . . . . . 3.0 1.8 3.5 1 1 227 1 . . . . . 3.0 1.8 3.5 1 1 228 1 . . . . . 3.0 1.8 3.5 1 1 229 1 . . . . . 4.0 1.8 5.0 1 1 230 1 . . . . . 2.5 1.8 2.9 1 1 231 1 . . . . . 3.0 1.8 3.5 1 1 232 1 . . . . . 3.0 1.8 3.5 1 1 233 1 . . . . . 3.0 1.8 3.5 1 1 234 1 . . . . . 3.0 1.8 3.5 1 1 235 1 . . . . . 4.0 1.8 5.0 1 1 236 1 . . . . . 3.0 1.8 3.5 1 1 237 1 . . . . . 3.0 1.8 3.5 1 1 238 1 . . . . . 3.0 1.8 3.5 1 1 239 1 . . . . . 3.0 1.8 3.5 1 1 240 1 . . . . . 3.0 1.8 3.5 1 1 241 1 . . . . . 3.0 1.8 3.5 1 1 242 1 . . . . . 2.5 1.8 2.9 1 1 243 1 . . . . . 4.0 1.8 5.0 1 1 244 1 . . . . . 3.0 1.8 3.5 1 1 245 1 . . . . . 3.0 1.8 3.5 1 1 246 1 . . . . . 3.0 1.8 3.5 1 1 247 1 . . . . . 4.0 1.8 5.5 1 1 248 1 . . . . . 3.0 1.8 3.5 1 1 249 1 . . . . . 3.0 1.8 3.5 1 1 250 1 . . . . . 2.5 1.8 2.9 1 1 251 1 . . . . . 3.0 1.8 3.5 1 1 252 1 . . . . . 3.0 1.8 3.5 1 1 253 1 . . . . . 3.0 1.8 3.5 1 1 254 1 . . . . . 3.0 1.8 3.5 1 1 255 1 . . . . . 3.0 1.8 3.5 1 1 256 1 . . . . . 3.0 1.8 3.5 1 1 257 1 . . . . . 2.5 1.8 2.9 1 1 258 1 . . . . . 3.0 1.8 3.5 1 1 259 1 . . . . . 4.0 1.8 5.0 1 1 260 1 . . . . . 3.0 1.8 3.5 1 1 261 1 . . . . . 4.0 1.8 5.0 1 1 262 1 . . . . . 4.0 1.8 5.5 1 1 263 1 . . . . . 3.0 1.8 3.5 1 1 264 1 . . . . . 3.0 1.8 3.5 1 1 265 1 . . . . . 2.5 1.8 2.9 1 1 266 1 . . . . . 3.0 1.8 3.5 1 1 267 1 . . . . . 4.0 1.8 5.0 1 1 268 1 . . . . . 3.0 1.8 3.5 1 1 269 1 . . . . . 3.0 1.8 3.5 1 1 270 1 . . . . . 3.0 1.8 3.5 1 1 271 1 . . . . . 2.5 1.8 2.9 1 1 272 1 . . . . . 3.0 1.8 3.5 1 1 273 1 . . . . . 4.0 1.8 5.0 1 1 274 1 . . . . . 3.0 1.8 3.5 1 1 275 1 . . . . . 4.0 1.8 5.0 1 1 276 1 . . . . . 3.0 1.8 3.5 1 1 277 1 . . . . . 3.0 1.8 3.5 1 1 278 1 . . . . . 2.5 1.8 2.9 1 1 279 1 . . . . . 3.0 1.8 3.5 1 1 280 1 . . . . . 4.0 1.8 5.0 1 1 281 1 . . . . . 3.0 1.8 3.5 1 1 282 1 . . . . . 3.0 1.8 3.5 1 1 283 1 . . . . . 3.0 1.8 3.5 1 1 284 1 . . . . . 3.0 1.8 3.5 1 1 285 1 . . . . . 2.5 1.8 2.9 1 1 286 1 . . . . . 3.0 1.8 3.5 1 1 287 1 . . . . . 4.0 1.8 6.0 1 1 288 1 . . . . . 4.0 1.8 5.0 1 1 289 1 . . . . . 4.0 1.8 5.0 1 1 290 1 . . . . . 3.0 1.8 3.5 1 1 291 1 . . . . . 4.0 1.8 5.0 1 1 292 1 . . . . . 3.0 1.8 3.5 1 1 293 1 . . . . . 3.0 1.8 3.5 1 1 294 1 . . . . . 3.0 1.8 3.5 1 1 295 1 . . . . . 3.0 1.8 3.5 1 1 296 1 . . . . . 3.0 1.8 3.5 1 1 297 1 . . . . . 3.0 1.8 3.5 1 1 298 1 . . . . . 3.0 1.8 3.5 1 1 299 1 . . . . . 3.0 1.8 3.5 1 1 300 1 . . . . . 3.0 1.8 3.5 1 1 301 1 . . . . . 2.5 1.8 2.9 1 1 302 1 . . . . . 3.0 1.8 3.5 1 1 303 1 . . . . . 3.0 1.8 3.5 1 1 304 1 . . . . . 3.0 1.8 3.5 1 1 305 1 . . . . . 3.0 1.8 3.5 1 1 306 1 . . . . . 2.5 1.8 2.9 1 1 307 1 . . . . . 3.0 1.8 3.5 1 1 308 1 . . . . . 3.0 1.8 3.5 1 1 309 1 . . . . . 3.0 1.8 3.5 1 1 310 1 . . . . . 2.5 1.8 2.9 1 1 311 1 . . . . . 4.0 1.8 5.0 1 1 312 1 . . . . . 3.0 1.8 3.5 1 1 313 1 . . . . . 3.0 1.8 3.5 1 1 314 1 . . . . . 2.5 1.8 2.9 1 1 315 1 . . . . . 3.0 1.8 3.5 1 1 316 1 . . . . . 3.0 1.8 3.5 1 1 317 1 . . . . . 3.0 1.8 3.5 1 1 318 1 . . . . . 2.5 1.8 2.9 1 1 319 1 . . . . . 4.0 1.8 5.0 1 1 320 1 . . . . . 3.0 1.8 3.5 1 1 321 1 . . . . . 3.0 1.8 3.5 1 1 322 1 . . . . . 3.0 1.8 3.5 1 1 323 1 . . . . . 4.0 1.8 5.0 1 1 324 1 . . . . . 3.0 1.8 3.5 1 1 325 1 . . . . . 4.0 1.8 5.0 1 1 326 1 . . . . . 4.0 1.8 6.0 1 1 327 1 . . . . . 3.0 1.8 3.5 1 1 328 1 . . . . . 3.0 1.8 3.5 1 1 329 1 . . . . . 3.0 1.8 3.5 1 1 330 1 . . . . . 3.0 1.8 3.5 1 1 331 1 . . . . . 4.0 1.8 5.0 1 1 332 1 . . . . . 3.0 1.8 3.5 1 1 333 1 . . . . . 3.0 1.8 3.5 1 1 334 1 . . . . . 4.0 1.8 5.0 1 1 335 1 . . . . . 3.0 1.8 3.5 1 1 336 1 . . . . . 3.0 1.8 3.5 1 1 337 1 . . . . . 3.0 1.8 3.5 1 1 338 1 . . . . . 3.0 1.8 3.5 1 1 339 1 . . . . . 4.0 1.8 5.0 1 1 340 1 . . . . . 4.0 1.8 5.0 1 1 341 1 . . . . . 4.0 1.8 5.0 1 1 342 1 . . . . . 3.0 1.8 3.5 1 1 343 1 . . . . . 2.5 1.8 2.9 1 1 344 1 . . . . . 4.0 1.8 5.0 1 1 345 1 . . . . . 3.0 1.8 3.5 1 1 346 1 . . . . . 4.0 1.8 5.0 1 1 347 1 . . . . . 3.0 1.8 3.5 1 1 348 1 . . . . . 2.5 1.3 3.0 1 1 349 1 . . . . . 3.0 1.8 3.5 1 1 350 1 . . . . . 3.0 1.8 3.5 1 1 351 1 . . . . . 3.0 1.8 4.0 1 1 352 1 . . . . . 3.0 1.8 3.5 1 1 353 1 . . . . . 4.0 1.8 5.0 1 1 354 1 . . . . . 4.0 1.8 5.0 1 1 355 1 . . . . . 3.0 1.8 3.5 1 1 356 1 . . . . . 3.0 1.8 3.5 1 1 357 1 . . . . . 3.0 1.8 3.5 1 1 358 1 . . . . . 4.0 1.8 5.0 1 1 359 1 . . . . . 3.0 1.8 3.5 1 1 360 1 . . . . . 4.0 1.8 5.0 1 1 361 1 . . . . . 3.0 1.8 3.5 1 1 362 1 . . . . . 3.0 1.8 3.5 1 1 363 1 . . . . . 3.0 1.8 3.5 1 1 364 1 . . . . . 3.0 1.8 3.5 1 1 365 1 . . . . . 4.0 1.8 5.0 1 1 366 1 . . . . . 3.0 1.8 3.5 1 1 367 1 . . . . . 4.0 1.8 5.0 1 1 368 1 . . . . . 4.0 1.8 5.0 1 1 369 1 . . . . . 3.0 1.8 3.5 1 1 370 1 . . . . . 3.0 1.8 3.5 1 1 371 1 . . . . . 4.0 1.8 5.0 1 1 372 1 . . . . . 2.5 1.8 2.9 1 1 373 1 . . . . . 3.0 1.8 3.5 1 1 374 1 . . . . . 4.0 1.8 5.0 1 1 375 1 . . . . . 3.0 1.8 3.5 1 1 376 1 . . . . . 3.0 1.8 3.5 1 1 377 1 . . . . . 2.5 1.8 2.9 1 1 378 1 . . . . . 3.0 1.8 3.5 1 1 379 1 . . . . . 2.5 1.8 2.9 1 1 380 1 . . . . . 4.0 1.8 5.0 1 1 381 1 . . . . . 3.0 1.8 3.5 1 1 382 1 . . . . . 4.0 1.8 5.0 1 1 383 1 . . . . . 3.0 1.8 3.5 1 1 384 1 . . . . . 4.0 1.8 5.0 1 1 385 1 . . . . . 2.5 1.8 2.9 1 1 386 1 . . . . . 3.0 1.8 3.5 1 1 387 1 . . . . . 4.0 1.8 5.0 1 1 388 1 . . . . . 3.0 1.8 3.5 1 1 389 1 . . . . . 2.5 1.8 2.9 1 1 390 1 . . . . . 3.0 1.8 3.5 1 1 391 1 . . . . . 4.0 1.8 5.0 1 1 392 1 . . . . . 3.0 1.8 3.5 1 1 393 1 . . . . . 2.5 1.8 2.9 1 1 394 1 . . . . . 3.0 1.8 3.5 1 1 395 1 . . . . . 3.0 1.8 3.5 1 1 396 1 . . . . . 3.0 1.8 3.5 1 1 397 1 . . . . . 4.0 1.8 5.5 1 1 398 1 . . . . . 2.5 1.8 2.9 1 1 399 1 . . . . . 3.0 1.8 3.5 1 1 400 1 . . . . . 3.0 1.8 3.5 1 1 401 1 . . . . . 3.0 1.8 4.0 1 1 402 1 . . . . . 3.0 1.8 3.5 1 1 403 1 . . . . . 3.0 1.8 3.5 1 1 404 1 . . . . . 3.0 1.8 3.5 1 1 405 1 . . . . . 3.0 1.8 3.5 1 1 406 1 . . . . . 2.5 1.8 2.9 1 1 407 1 . . . . . 3.0 1.8 3.5 1 1 408 1 . . . . . 3.0 1.8 3.5 1 1 409 1 . . . . . 2.5 1.8 2.9 1 1 410 1 . . . . . 3.0 1.8 3.5 1 1 411 1 . . . . . 3.0 1.8 3.5 1 1 412 1 . . . . . 3.0 1.8 3.5 1 1 413 1 . . . . . 3.0 1.8 3.5 1 1 414 1 . . . . . 3.0 1.8 3.5 1 1 415 1 . . . . . 4.0 1.8 5.0 1 1 416 1 . . . . . 4.0 1.8 5.0 1 1 417 1 . . . . . 3.0 1.8 3.5 1 1 418 1 . . . . . 4.0 1.8 5.0 1 1 419 1 . . . . . 3.0 1.8 3.5 1 1 420 1 . . . . . 4.0 1.8 5.0 1 1 421 1 . . . . . 3.0 1.8 3.5 1 1 422 1 . . . . . 3.0 1.8 3.5 1 1 423 1 . . . . . 3.0 1.8 3.5 1 1 424 1 . . . . . 3.0 1.8 3.5 1 1 425 1 . . . . . 3.0 1.8 3.5 1 1 426 1 . . . . . 3.0 1.8 3.5 1 1 427 1 . . . . . 3.0 1.8 3.5 1 1 428 1 . . . . . 3.0 1.8 3.5 1 1 429 1 . . . . . 3.0 1.8 3.5 1 1 430 1 . . . . . 3.0 1.8 3.5 1 1 431 1 . . . . . 2.5 1.8 2.9 1 1 432 1 . . . . . 4.0 1.8 5.0 1 1 433 1 . . . . . 3.0 1.8 3.5 1 1 434 1 . . . . . 2.5 1.8 2.9 1 1 435 1 . . . . . 3.0 1.8 3.5 1 1 436 1 . . . . . 3.0 1.8 3.5 1 1 437 1 . . . . . 2.5 1.8 2.9 1 1 438 1 . . . . . 3.0 1.8 3.5 1 1 439 1 . . . . . 3.0 1.8 3.5 1 1 440 1 . . . . . 3.0 1.8 3.5 1 1 441 1 . . . . . 2.5 1.8 2.9 1 1 442 1 . . . . . 3.0 1.8 3.5 1 1 443 1 . . . . . 3.0 1.8 3.5 1 1 444 1 . . . . . 3.0 1.8 3.5 1 1 445 1 . . . . . 2.5 1.8 2.9 1 1 446 1 . . . . . 2.5 1.8 2.9 1 1 447 1 . . . . . 3.0 1.8 3.5 1 1 448 1 . . . . . 2.5 1.8 2.9 1 1 449 1 . . . . . 3.0 1.8 3.5 1 1 450 1 . . . . . 2.5 1.8 2.9 1 1 451 1 . . . . . 2.5 1.8 2.9 1 1 452 1 . . . . . 3.0 1.8 3.5 1 1 453 1 . . . . . 2.5 1.8 2.9 1 1 454 1 . . . . . 3.0 1.8 3.5 1 1 455 1 . . . . . 2.5 1.8 2.9 1 1 456 1 . . . . . 3.0 1.8 3.5 1 1 457 1 . . . . . 2.5 1.8 2.9 1 1 458 1 . . . . . 3.0 1.8 3.5 1 1 459 1 . . . . . 2.5 1.8 2.9 1 1 460 1 . . . . . 2.5 1.8 2.9 1 1 461 1 . . . . . 2.5 1.8 2.9 1 1 462 1 . . . . . 3.0 1.8 3.5 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 GLY C C 0.399 17.012 -7.782 1.00 . A X . 1 GLY C 1 1 1 2 1 1 1 GLY CA C 1.684 17.713 -7.388 1.00 . A X . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H 2.284 19.182 -6.031 1.00 . A X . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H 0.638 18.802 -5.945 1.00 . A X . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H 1.222 19.743 -7.223 1.00 . A X . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H 2.225 17.978 -8.284 1.00 . A X . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H 2.287 17.034 -6.804 1.00 . A X . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N 1.440 18.946 -6.591 1.00 . A X . 1 GLY N 1 1 1 9 1 1 1 GLY O O -0.447 17.588 -8.466 1.00 . A X . 1 GLY O 1 1 1 10 1 1 2 SER C C -2.193 15.646 -7.124 1.00 . A X . 2 SER C 1 1 1 11 1 1 2 SER CA C -0.934 14.978 -7.666 1.00 . A X . 2 SER CA 1 1 1 12 1 1 2 SER CB C -0.807 13.569 -7.087 1.00 . A X . 2 SER CB 1 1 1 13 1 1 2 SER H H 0.966 15.358 -6.813 1.00 . A X . 2 SER H 1 1 1 14 1 1 2 SER HA H -1.011 14.909 -8.741 1.00 . A X . 2 SER HA 1 1 1 15 1 1 2 SER HB2 H -0.699 13.631 -6.014 1.00 . A X . 2 SER HB2 1 1 1 16 1 1 2 SER HB3 H -1.695 13.004 -7.328 1.00 . A X . 2 SER HB3 1 1 1 17 1 1 2 SER HG H 1.123 13.331 -7.322 1.00 . A X . 2 SER HG 1 1 1 18 1 1 2 SER N N 0.255 15.763 -7.352 1.00 . A X . 2 SER N 1 1 1 19 1 1 2 SER O O -2.196 16.181 -6.015 1.00 . A X . 2 SER O 1 1 1 20 1 1 2 SER OG O 0.320 12.897 -7.620 1.00 . A X . 2 SER OG 1 1 1 21 1 1 3 SER C C -5.612 15.132 -7.386 1.00 . A X . 3 SER C 1 1 1 22 1 1 3 SER CA C -4.531 16.198 -7.510 1.00 . A X . 3 SER CA 1 1 1 23 1 1 3 SER CB C -4.963 17.259 -8.524 1.00 . A X . 3 SER CB 1 1 1 24 1 1 3 SER H H -3.197 15.158 -8.782 1.00 . A X . 3 SER H 1 1 1 25 1 1 3 SER HA H -4.397 16.669 -6.545 1.00 . A X . 3 SER HA 1 1 1 26 1 1 3 SER HB2 H -5.247 16.776 -9.448 1.00 . A X . 3 SER HB2 1 1 1 27 1 1 3 SER HB3 H -5.807 17.807 -8.131 1.00 . A X . 3 SER HB3 1 1 1 28 1 1 3 SER HG H -4.182 19.055 -8.539 1.00 . A X . 3 SER HG 1 1 1 29 1 1 3 SER N N -3.262 15.604 -7.912 1.00 . A X . 3 SER N 1 1 1 30 1 1 3 SER O O -6.096 14.601 -8.385 1.00 . A X . 3 SER O 1 1 1 31 1 1 3 SER OG O -3.911 18.169 -8.791 1.00 . A X . 3 SER OG 1 1 1 32 1 1 4 GLY C C -6.539 12.509 -5.499 1.00 . A X . 4 GLY C 1 1 1 33 1 1 4 GLY CA C -7.044 13.873 -5.904 1.00 . A X . 4 GLY CA 1 1 1 34 1 1 4 GLY H H -5.594 15.320 -5.394 1.00 . A X . 4 GLY H 1 1 1 35 1 1 4 GLY HA2 H -7.676 14.236 -5.132 1.00 . A X . 4 GLY HA2 1 1 1 36 1 1 4 GLY HA3 H -7.630 13.766 -6.804 1.00 . A X . 4 GLY HA3 1 1 1 37 1 1 4 GLY N N -6.003 14.847 -6.152 1.00 . A X . 4 GLY N 1 1 1 38 1 1 4 GLY O O -7.208 11.806 -4.739 1.00 . A X . 4 GLY O 1 1 1 39 1 1 5 ALA C C -3.350 10.914 -5.218 1.00 . A X . 5 ALA C 1 1 1 40 1 1 5 ALA CA C -4.810 10.831 -5.620 1.00 . A X . 5 ALA CA 1 1 1 41 1 1 5 ALA CB C -4.981 9.854 -6.771 1.00 . A X . 5 ALA CB 1 1 1 42 1 1 5 ALA H H -4.858 12.729 -6.560 1.00 . A X . 5 ALA H 1 1 1 43 1 1 5 ALA HA H -5.374 10.449 -4.781 1.00 . A X . 5 ALA HA 1 1 1 44 1 1 5 ALA HB1 H -6.031 9.751 -7.004 1.00 . A X . 5 ALA HB1 1 1 1 45 1 1 5 ALA HB2 H -4.580 8.893 -6.485 1.00 . A X . 5 ALA HB2 1 1 1 46 1 1 5 ALA HB3 H -4.453 10.221 -7.638 1.00 . A X . 5 ALA HB3 1 1 1 47 1 1 5 ALA N N -5.362 12.130 -5.971 1.00 . A X . 5 ALA N 1 1 1 48 1 1 5 ALA O O -2.520 11.467 -5.938 1.00 . A X . 5 ALA O 1 1 1 49 1 1 6 ARG C C -1.320 8.822 -3.333 1.00 . A X . 6 ARG C 1 1 1 50 1 1 6 ARG CA C -1.685 10.277 -3.576 1.00 . A X . 6 ARG CA 1 1 1 51 1 1 6 ARG CB C -1.571 11.093 -2.286 1.00 . A X . 6 ARG CB 1 1 1 52 1 1 6 ARG CD C -0.571 13.249 -1.476 1.00 . A X . 6 ARG CD 1 1 1 53 1 1 6 ARG CG C -0.314 11.943 -2.211 1.00 . A X . 6 ARG CG 1 1 1 54 1 1 6 ARG CZ C 0.753 14.867 -0.163 1.00 . A X . 6 ARG CZ 1 1 1 55 1 1 6 ARG H H -3.755 9.874 -3.571 1.00 . A X . 6 ARG H 1 1 1 56 1 1 6 ARG HA H -1.029 10.690 -4.329 1.00 . A X . 6 ARG HA 1 1 1 57 1 1 6 ARG HB2 H -2.426 11.748 -2.212 1.00 . A X . 6 ARG HB2 1 1 1 58 1 1 6 ARG HB3 H -1.573 10.417 -1.443 1.00 . A X . 6 ARG HB3 1 1 1 59 1 1 6 ARG HD2 H -0.736 14.029 -2.204 1.00 . A X . 6 ARG HD2 1 1 1 60 1 1 6 ARG HD3 H -1.456 13.137 -0.866 1.00 . A X . 6 ARG HD3 1 1 1 61 1 1 6 ARG HE H 1.185 12.928 -0.369 1.00 . A X . 6 ARG HE 1 1 1 62 1 1 6 ARG HG2 H 0.452 11.392 -1.687 1.00 . A X . 6 ARG HG2 1 1 1 63 1 1 6 ARG HG3 H 0.021 12.164 -3.214 1.00 . A X . 6 ARG HG3 1 1 1 64 1 1 6 ARG HH11 H -0.868 15.674 -1.070 1.00 . A X . 6 ARG HH11 1 1 1 65 1 1 6 ARG HH12 H 0.083 16.776 -0.134 1.00 . A X . 6 ARG HH12 1 1 1 66 1 1 6 ARG HH21 H 2.427 14.383 0.861 1.00 . A X . 6 ARG HH21 1 1 1 67 1 1 6 ARG HH22 H 1.950 16.045 0.960 1.00 . A X . 6 ARG HH22 1 1 1 68 1 1 6 ARG N N -3.045 10.322 -4.078 1.00 . A X . 6 ARG N 1 1 1 69 1 1 6 ARG NE N 0.550 13.631 -0.620 1.00 . A X . 6 ARG NE 1 1 1 70 1 1 6 ARG NH1 N -0.080 15.853 -0.483 1.00 . A X . 6 ARG NH1 1 1 1 71 1 1 6 ARG NH2 N 1.795 15.119 0.616 1.00 . A X . 6 ARG NH2 1 1 1 72 1 1 6 ARG O O -1.899 8.176 -2.464 1.00 . A X . 6 ARG O 1 1 1 73 1 1 7 CYS C C 1.489 6.692 -4.148 1.00 . A X . 7 CYS C 1 1 1 74 1 1 7 CYS CA C -0.014 6.891 -3.986 1.00 . A X . 7 CYS CA 1 1 1 75 1 1 7 CYS CB C -0.783 6.049 -5.011 1.00 . A X . 7 CYS CB 1 1 1 76 1 1 7 CYS H H 0.018 8.841 -4.823 1.00 . A X . 7 CYS H 1 1 1 77 1 1 7 CYS HA H -0.297 6.571 -2.995 1.00 . A X . 7 CYS HA 1 1 1 78 1 1 7 CYS HB2 H -0.332 6.178 -5.984 1.00 . A X . 7 CYS HB2 1 1 1 79 1 1 7 CYS HB3 H -0.725 5.008 -4.728 1.00 . A X . 7 CYS HB3 1 1 1 80 1 1 7 CYS N N -0.394 8.292 -4.122 1.00 . A X . 7 CYS N 1 1 1 81 1 1 7 CYS O O 2.093 7.150 -5.118 1.00 . A X . 7 CYS O 1 1 1 82 1 1 7 CYS SG S -2.551 6.490 -5.154 1.00 . A X . 7 CYS SG 1 1 1 83 1 1 8 TYR C C 3.824 4.709 -2.083 1.00 . A X . 8 TYR C 1 1 1 84 1 1 8 TYR CA C 3.505 5.707 -3.187 1.00 . A X . 8 TYR CA 1 1 1 85 1 1 8 TYR CB C 4.313 6.992 -3.010 1.00 . A X . 8 TYR CB 1 1 1 86 1 1 8 TYR CD1 C 2.758 8.618 -1.828 1.00 . A X . 8 TYR CD1 1 1 1 87 1 1 8 TYR CD2 C 4.681 7.768 -0.617 1.00 . A X . 8 TYR CD2 1 1 1 88 1 1 8 TYR CE1 C 2.384 9.380 -0.708 1.00 . A X . 8 TYR CE1 1 1 1 89 1 1 8 TYR CE2 C 4.313 8.526 0.507 1.00 . A X . 8 TYR CE2 1 1 1 90 1 1 8 TYR CG C 3.911 7.801 -1.800 1.00 . A X . 8 TYR CG 1 1 1 91 1 1 8 TYR CZ C 3.163 9.330 0.456 1.00 . A X . 8 TYR CZ 1 1 1 92 1 1 8 TYR H H 1.534 5.651 -2.446 1.00 . A X . 8 TYR H 1 1 1 93 1 1 8 TYR HA H 3.751 5.262 -4.140 1.00 . A X . 8 TYR HA 1 1 1 94 1 1 8 TYR HB2 H 5.357 6.740 -2.906 1.00 . A X . 8 TYR HB2 1 1 1 95 1 1 8 TYR HB3 H 4.183 7.614 -3.884 1.00 . A X . 8 TYR HB3 1 1 1 96 1 1 8 TYR HD1 H 2.160 8.652 -2.726 1.00 . A X . 8 TYR HD1 1 1 1 97 1 1 8 TYR HD2 H 5.565 7.148 -0.582 1.00 . A X . 8 TYR HD2 1 1 1 98 1 1 8 TYR HE1 H 1.500 9.997 -0.747 1.00 . A X . 8 TYR HE1 1 1 1 99 1 1 8 TYR HE2 H 4.916 8.488 1.402 1.00 . A X . 8 TYR HE2 1 1 1 100 1 1 8 TYR HH H 3.303 10.892 1.568 1.00 . A X . 8 TYR HH 1 1 1 101 1 1 8 TYR N N 2.079 5.995 -3.183 1.00 . A X . 8 TYR N 1 1 1 102 1 1 8 TYR O O 3.002 4.485 -1.193 1.00 . A X . 8 TYR O 1 1 1 103 1 1 8 TYR OH O 2.798 10.076 1.554 1.00 . A X . 8 TYR OH 1 1 1 104 1 1 9 VAL C C 6.827 3.278 -0.676 1.00 . A X . 9 VAL C 1 1 1 105 1 1 9 VAL CA C 5.377 3.123 -1.125 1.00 . A X . 9 VAL CA 1 1 1 106 1 1 9 VAL CB C 5.158 1.687 -1.634 1.00 . A X . 9 VAL CB 1 1 1 107 1 1 9 VAL CG1 C 5.392 0.679 -0.517 1.00 . A X . 9 VAL CG1 1 1 1 108 1 1 9 VAL CG2 C 3.759 1.539 -2.216 1.00 . A X . 9 VAL CG2 1 1 1 109 1 1 9 VAL H H 5.620 4.305 -2.868 1.00 . A X . 9 VAL H 1 1 1 110 1 1 9 VAL HA H 4.735 3.273 -0.268 1.00 . A X . 9 VAL HA 1 1 1 111 1 1 9 VAL HB H 5.874 1.492 -2.419 1.00 . A X . 9 VAL HB 1 1 1 112 1 1 9 VAL HG11 H 6.111 -0.058 -0.840 1.00 . A X . 9 VAL HG11 1 1 1 113 1 1 9 VAL HG12 H 4.462 0.188 -0.269 1.00 . A X . 9 VAL HG12 1 1 1 114 1 1 9 VAL HG13 H 5.770 1.185 0.355 1.00 . A X . 9 VAL HG13 1 1 1 115 1 1 9 VAL HG21 H 3.049 2.042 -1.577 1.00 . A X . 9 VAL HG21 1 1 1 116 1 1 9 VAL HG22 H 3.506 0.491 -2.282 1.00 . A X . 9 VAL HG22 1 1 1 117 1 1 9 VAL HG23 H 3.731 1.978 -3.202 1.00 . A X . 9 VAL HG23 1 1 1 118 1 1 9 VAL N N 5.001 4.101 -2.137 1.00 . A X . 9 VAL N 1 1 1 119 1 1 9 VAL O O 7.723 3.512 -1.487 1.00 . A X . 9 VAL O 1 1 1 120 1 1 10 ASP C C 8.715 1.920 1.950 1.00 . A X . 10 ASP C 1 1 1 121 1 1 10 ASP CA C 8.375 3.208 1.206 1.00 . A X . 10 ASP CA 1 1 1 122 1 1 10 ASP CB C 8.460 4.398 2.163 1.00 . A X . 10 ASP CB 1 1 1 123 1 1 10 ASP CG C 8.466 5.727 1.434 1.00 . A X . 10 ASP CG 1 1 1 124 1 1 10 ASP H H 6.284 2.915 1.212 1.00 . A X . 10 ASP H 1 1 1 125 1 1 10 ASP HA H 9.082 3.347 0.402 1.00 . A X . 10 ASP HA 1 1 1 126 1 1 10 ASP HB2 H 7.610 4.379 2.828 1.00 . A X . 10 ASP HB2 1 1 1 127 1 1 10 ASP HB3 H 9.368 4.322 2.743 1.00 . A X . 10 ASP HB3 1 1 1 128 1 1 10 ASP N N 7.043 3.117 0.626 1.00 . A X . 10 ASP N 1 1 1 129 1 1 10 ASP O O 8.326 1.736 3.101 1.00 . A X . 10 ASP O 1 1 1 130 1 1 10 ASP OD1 O 9.513 6.078 0.850 1.00 . A X . 10 ASP OD1 1 1 1 131 1 1 10 ASP OD2 O 7.424 6.415 1.444 1.00 . A X . 10 ASP OD2 1 1 1 132 1 1 11 GLY C C 11.107 -0.774 1.331 1.00 . A X . 11 GLY C 1 1 1 133 1 1 11 GLY CA C 9.817 -0.227 1.900 1.00 . A X . 11 GLY CA 1 1 1 134 1 1 11 GLY H H 9.721 1.230 0.367 1.00 . A X . 11 GLY H 1 1 1 135 1 1 11 GLY HA2 H 9.939 -0.075 2.962 1.00 . A X . 11 GLY HA2 1 1 1 136 1 1 11 GLY HA3 H 9.029 -0.947 1.736 1.00 . A X . 11 GLY HA3 1 1 1 137 1 1 11 GLY N N 9.440 1.031 1.284 1.00 . A X . 11 GLY N 1 1 1 138 1 1 11 GLY O O 11.190 -1.058 0.136 1.00 . A X . 11 GLY O 1 1 1 139 1 1 12 SER C C 13.539 -2.914 2.082 1.00 . A X . 12 SER C 1 1 1 140 1 1 12 SER CA C 13.403 -1.443 1.726 1.00 . A X . 12 SER CA 1 1 1 141 1 1 12 SER CB C 14.553 -0.644 2.339 1.00 . A X . 12 SER CB 1 1 1 142 1 1 12 SER H H 12.001 -0.684 3.123 1.00 . A X . 12 SER H 1 1 1 143 1 1 12 SER HA H 13.431 -1.348 0.649 1.00 . A X . 12 SER HA 1 1 1 144 1 1 12 SER HB2 H 14.909 -1.151 3.224 1.00 . A X . 12 SER HB2 1 1 1 145 1 1 12 SER HB3 H 15.356 -0.565 1.622 1.00 . A X . 12 SER HB3 1 1 1 146 1 1 12 SER HG H 13.801 1.116 1.923 1.00 . A X . 12 SER HG 1 1 1 147 1 1 12 SER N N 12.120 -0.925 2.178 1.00 . A X . 12 SER N 1 1 1 148 1 1 12 SER O O 13.458 -3.272 3.259 1.00 . A X . 12 SER O 1 1 1 149 1 1 12 SER OG O 14.133 0.660 2.699 1.00 . A X . 12 SER OG 1 1 1 150 1 1 13 GLU C C 14.991 -5.727 1.869 1.00 . A X . 13 GLU C 1 1 1 151 1 1 13 GLU CA C 13.772 -5.196 1.099 1.00 . A X . 13 GLU CA 1 1 1 152 1 1 13 GLU CB C 13.844 -5.839 -0.324 1.00 . A X . 13 GLU CB 1 1 1 153 1 1 13 GLU CD C 14.646 -4.183 -2.060 1.00 . A X . 13 GLU CD 1 1 1 154 1 1 13 GLU CG C 13.461 -4.956 -1.516 1.00 . A X . 13 GLU CG 1 1 1 155 1 1 13 GLU H H 13.668 -3.337 0.149 1.00 . A X . 13 GLU H 1 1 1 156 1 1 13 GLU HA H 12.889 -5.535 1.591 1.00 . A X . 13 GLU HA 1 1 1 157 1 1 13 GLU HB2 H 14.850 -6.186 -0.499 1.00 . A X . 13 GLU HB2 1 1 1 158 1 1 13 GLU HB3 H 13.187 -6.696 -0.335 1.00 . A X . 13 GLU HB3 1 1 1 159 1 1 13 GLU HG2 H 13.077 -5.585 -2.301 1.00 . A X . 13 GLU HG2 1 1 1 160 1 1 13 GLU HG3 H 12.705 -4.252 -1.221 1.00 . A X . 13 GLU HG3 1 1 1 161 1 1 13 GLU N N 13.683 -3.734 1.024 1.00 . A X . 13 GLU N 1 1 1 162 1 1 13 GLU O O 16.092 -5.775 1.322 1.00 . A X . 13 GLU O 1 1 1 163 1 1 13 GLU OE1 O 15.445 -4.774 -2.817 1.00 . A X . 13 GLU OE1 1 1 1 164 1 1 13 GLU OE2 O 14.775 -2.985 -1.729 1.00 . A X . 13 GLU OE2 1 1 1 165 1 1 14 GLU C C 15.292 -7.736 4.965 1.00 . A X . 14 GLU C 1 1 1 166 1 1 14 GLU CA C 15.866 -6.836 3.863 1.00 . A X . 14 GLU CA 1 1 1 167 1 1 14 GLU CB C 16.818 -5.801 4.490 1.00 . A X . 14 GLU CB 1 1 1 168 1 1 14 GLU CD C 18.146 -3.664 4.216 1.00 . A X . 14 GLU CD 1 1 1 169 1 1 14 GLU CG C 17.208 -4.661 3.561 1.00 . A X . 14 GLU CG 1 1 1 170 1 1 14 GLU H H 13.861 -6.215 3.456 1.00 . A X . 14 GLU H 1 1 1 171 1 1 14 GLU HA H 16.434 -7.449 3.183 1.00 . A X . 14 GLU HA 1 1 1 172 1 1 14 GLU HB2 H 16.372 -5.388 5.373 1.00 . A X . 14 GLU HB2 1 1 1 173 1 1 14 GLU HB3 H 17.725 -6.313 4.778 1.00 . A X . 14 GLU HB3 1 1 1 174 1 1 14 GLU HG2 H 17.699 -5.073 2.693 1.00 . A X . 14 GLU HG2 1 1 1 175 1 1 14 GLU HG3 H 16.312 -4.141 3.255 1.00 . A X . 14 GLU HG3 1 1 1 176 1 1 14 GLU N N 14.778 -6.212 3.092 1.00 . A X . 14 GLU N 1 1 1 177 1 1 14 GLU O O 14.262 -7.420 5.560 1.00 . A X . 14 GLU O 1 1 1 178 1 1 14 GLU OE1 O 18.662 -3.963 5.314 1.00 . A X . 14 GLU OE1 1 1 1 179 1 1 14 GLU OE2 O 18.368 -2.586 3.627 1.00 . A X . 14 GLU OE2 1 1 1 180 1 1 15 ILE C C 15.443 -8.889 7.654 1.00 . A X . 15 ILE C 1 1 1 181 1 1 15 ILE CA C 15.498 -9.719 6.363 1.00 . A X . 15 ILE CA 1 1 1 182 1 1 15 ILE CB C 16.424 -10.955 6.557 1.00 . A X . 15 ILE CB 1 1 1 183 1 1 15 ILE CD1 C 17.452 -12.859 5.225 1.00 . A X . 15 ILE CD1 1 1 1 184 1 1 15 ILE CG1 C 16.282 -11.913 5.377 1.00 . A X . 15 ILE CG1 1 1 1 185 1 1 15 ILE CG2 C 16.115 -11.697 7.857 1.00 . A X . 15 ILE CG2 1 1 1 186 1 1 15 ILE H H 16.791 -9.059 4.795 1.00 . A X . 15 ILE H 1 1 1 187 1 1 15 ILE HA H 14.502 -10.061 6.117 1.00 . A X . 15 ILE HA 1 1 1 188 1 1 15 ILE HB H 17.445 -10.607 6.604 1.00 . A X . 15 ILE HB 1 1 1 189 1 1 15 ILE HD11 H 18.124 -12.482 4.468 1.00 . A X . 15 ILE HD11 1 1 1 190 1 1 15 ILE HD12 H 17.092 -13.835 4.933 1.00 . A X . 15 ILE HD12 1 1 1 191 1 1 15 ILE HD13 H 17.978 -12.936 6.166 1.00 . A X . 15 ILE HD13 1 1 1 192 1 1 15 ILE HG12 H 15.392 -12.509 5.515 1.00 . A X . 15 ILE HG12 1 1 1 193 1 1 15 ILE HG13 H 16.187 -11.344 4.468 1.00 . A X . 15 ILE HG13 1 1 1 194 1 1 15 ILE HG21 H 16.702 -12.604 7.902 1.00 . A X . 15 ILE HG21 1 1 1 195 1 1 15 ILE HG22 H 15.065 -11.947 7.888 1.00 . A X . 15 ILE HG22 1 1 1 196 1 1 15 ILE HG23 H 16.361 -11.067 8.699 1.00 . A X . 15 ILE HG23 1 1 1 197 1 1 15 ILE N N 15.967 -8.844 5.277 1.00 . A X . 15 ILE N 1 1 1 198 1 1 15 ILE O O 16.462 -8.676 8.311 1.00 . A X . 15 ILE O 1 1 1 199 1 1 16 GLY C C 14.346 -6.077 8.789 1.00 . A X . 16 GLY C 1 1 1 200 1 1 16 GLY CA C 14.107 -7.534 9.147 1.00 . A X . 16 GLY CA 1 1 1 201 1 1 16 GLY H H 13.484 -8.561 7.391 1.00 . A X . 16 GLY H 1 1 1 202 1 1 16 GLY HA2 H 13.108 -7.643 9.543 1.00 . A X . 16 GLY HA2 1 1 1 203 1 1 16 GLY HA3 H 14.822 -7.835 9.897 1.00 . A X . 16 GLY HA3 1 1 1 204 1 1 16 GLY N N 14.255 -8.384 7.975 1.00 . A X . 16 GLY N 1 1 1 205 1 1 16 GLY O O 14.939 -5.319 9.557 1.00 . A X . 16 GLY O 1 1 1 206 1 1 17 SER C C 12.901 -3.425 7.443 1.00 . A X . 17 SER C 1 1 1 207 1 1 17 SER CA C 14.056 -4.350 7.050 1.00 . A X . 17 SER CA 1 1 1 208 1 1 17 SER CB C 14.182 -4.385 5.545 1.00 . A X . 17 SER CB 1 1 1 209 1 1 17 SER H H 13.446 -6.390 7.033 1.00 . A X . 17 SER H 1 1 1 210 1 1 17 SER HA H 14.969 -3.946 7.462 1.00 . A X . 17 SER HA 1 1 1 211 1 1 17 SER HB2 H 14.451 -5.367 5.231 1.00 . A X . 17 SER HB2 1 1 1 212 1 1 17 SER HB3 H 13.241 -4.122 5.117 1.00 . A X . 17 SER HB3 1 1 1 213 1 1 17 SER HG H 15.923 -3.482 5.673 1.00 . A X . 17 SER HG 1 1 1 214 1 1 17 SER N N 13.896 -5.710 7.592 1.00 . A X . 17 SER N 1 1 1 215 1 1 17 SER O O 12.120 -3.741 8.344 1.00 . A X . 17 SER O 1 1 1 216 1 1 17 SER OG O 15.164 -3.469 5.084 1.00 . A X . 17 SER OG 1 1 1 217 1 1 18 ASP C C 10.724 -1.158 5.953 1.00 . A X . 18 ASP C 1 1 1 218 1 1 18 ASP CA C 11.743 -1.307 7.086 1.00 . A X . 18 ASP CA 1 1 1 219 1 1 18 ASP CB C 12.360 0.054 7.414 1.00 . A X . 18 ASP CB 1 1 1 220 1 1 18 ASP CG C 11.389 0.978 8.121 1.00 . A X . 18 ASP CG 1 1 1 221 1 1 18 ASP H H 13.447 -2.070 6.036 1.00 . A X . 18 ASP H 1 1 1 222 1 1 18 ASP HA H 11.224 -1.679 7.962 1.00 . A X . 18 ASP HA 1 1 1 223 1 1 18 ASP HB2 H 13.219 -0.091 8.051 1.00 . A X . 18 ASP HB2 1 1 1 224 1 1 18 ASP HB3 H 12.675 0.528 6.496 1.00 . A X . 18 ASP HB3 1 1 1 225 1 1 18 ASP N N 12.803 -2.270 6.766 1.00 . A X . 18 ASP N 1 1 1 226 1 1 18 ASP O O 11.088 -0.965 4.792 1.00 . A X . 18 ASP O 1 1 1 227 1 1 18 ASP OD1 O 10.168 0.736 8.035 1.00 . A X . 18 ASP OD1 1 1 1 228 1 1 18 ASP OD2 O 11.853 1.944 8.764 1.00 . A X . 18 ASP OD2 1 1 1 229 1 1 19 PHE C C 7.458 0.054 5.667 1.00 . A X . 19 PHE C 1 1 1 230 1 1 19 PHE CA C 8.338 -1.155 5.358 1.00 . A X . 19 PHE CA 1 1 1 231 1 1 19 PHE CB C 7.482 -2.409 5.453 1.00 . A X . 19 PHE CB 1 1 1 232 1 1 19 PHE CD1 C 6.480 -3.636 3.578 1.00 . A X . 19 PHE CD1 1 1 1 233 1 1 19 PHE CD2 C 7.072 -4.678 4.109 1.00 . A X . 19 PHE CD2 1 1 1 234 1 1 19 PHE CE1 C 7.279 -4.849 3.236 1.00 . A X . 19 PHE CE1 1 1 1 235 1 1 19 PHE CE2 C 6.810 -3.973 2.806 1.00 . A X . 19 PHE CE2 1 1 1 236 1 1 19 PHE CG C 7.646 -3.435 4.377 1.00 . A X . 19 PHE CG 1 1 1 237 1 1 19 PHE CZ C 8.200 -3.839 2.960 1.00 . A X . 19 PHE CZ 1 1 1 238 1 1 19 PHE H H 9.218 -1.422 7.257 1.00 . A X . 19 PHE H 1 1 1 239 1 1 19 PHE HA H 8.744 -1.068 4.363 1.00 . A X . 19 PHE HA 1 1 1 240 1 1 19 PHE HB2 H 7.755 -2.908 6.354 1.00 . A X . 19 PHE HB2 1 1 1 241 1 1 19 PHE HB3 H 6.439 -2.131 5.503 1.00 . A X . 19 PHE HB3 1 1 1 242 1 1 19 PHE HD1 H 5.418 -3.636 4.002 1.00 . A X . 19 PHE HD1 1 1 1 243 1 1 19 PHE HD2 H 7.575 -5.646 4.417 1.00 . A X . 19 PHE HD2 1 1 1 244 1 1 19 PHE HE1 H 7.517 -5.825 3.780 1.00 . A X . 19 PHE HE1 1 1 1 245 1 1 19 PHE HE2 H 6.313 -4.475 1.899 1.00 . A X . 19 PHE HE2 1 1 1 246 1 1 19 PHE HZ H 8.640 -3.449 2.054 1.00 . A X . 19 PHE HZ 1 1 1 247 1 1 19 PHE N N 9.440 -1.261 6.311 1.00 . A X . 19 PHE N 1 1 1 248 1 1 19 PHE O O 7.427 0.542 6.796 1.00 . A X . 19 PHE O 1 1 1 249 1 1 20 LYS C C 5.005 1.867 3.547 1.00 . A X . 20 LYS C 1 1 1 250 1 1 20 LYS CA C 5.803 1.628 4.825 1.00 . A X . 20 LYS CA 1 1 1 251 1 1 20 LYS CB C 6.569 2.900 5.212 1.00 . A X . 20 LYS CB 1 1 1 252 1 1 20 LYS CD C 6.597 4.716 6.948 1.00 . A X . 20 LYS CD 1 1 1 253 1 1 20 LYS CE C 7.468 5.037 8.153 1.00 . A X . 20 LYS CE 1 1 1 254 1 1 20 LYS CG C 6.514 3.217 6.698 1.00 . A X . 20 LYS CG 1 1 1 255 1 1 20 LYS H H 6.762 0.037 3.797 1.00 . A X . 20 LYS H 1 1 1 256 1 1 20 LYS HA H 5.114 1.381 5.619 1.00 . A X . 20 LYS HA 1 1 1 257 1 1 20 LYS HB2 H 7.604 2.781 4.933 1.00 . A X . 20 LYS HB2 1 1 1 258 1 1 20 LYS HB3 H 6.154 3.739 4.673 1.00 . A X . 20 LYS HB3 1 1 1 259 1 1 20 LYS HD2 H 7.018 5.194 6.077 1.00 . A X . 20 LYS HD2 1 1 1 260 1 1 20 LYS HD3 H 5.601 5.096 7.124 1.00 . A X . 20 LYS HD3 1 1 1 261 1 1 20 LYS HE2 H 6.828 5.278 8.989 1.00 . A X . 20 LYS HE2 1 1 1 262 1 1 20 LYS HE3 H 8.065 4.170 8.395 1.00 . A X . 20 LYS HE3 1 1 1 263 1 1 20 LYS HG2 H 5.585 2.845 7.103 1.00 . A X . 20 LYS HG2 1 1 1 264 1 1 20 LYS HG3 H 7.344 2.734 7.192 1.00 . A X . 20 LYS HG3 1 1 1 265 1 1 20 LYS HZ1 H 7.866 6.928 7.359 1.00 . A X . 20 LYS HZ1 1 1 1 266 1 1 20 LYS HZ2 H 9.193 5.880 7.331 1.00 . A X . 20 LYS HZ2 1 1 1 267 1 1 20 LYS HZ3 H 8.710 6.593 8.787 1.00 . A X . 20 LYS HZ3 1 1 1 268 1 1 20 LYS N N 6.716 0.500 4.664 1.00 . A X . 20 LYS N 1 1 1 269 1 1 20 LYS NZ N 8.372 6.190 7.889 1.00 . A X . 20 LYS NZ 1 1 1 270 1 1 20 LYS O O 5.555 1.832 2.450 1.00 . A X . 20 LYS O 1 1 1 271 1 1 21 ILE C C 2.000 3.619 2.799 1.00 . A X . 21 ILE C 1 1 1 272 1 1 21 ILE CA C 2.841 2.375 2.550 1.00 . A X . 21 ILE CA 1 1 1 273 1 1 21 ILE CB C 1.883 1.199 2.258 1.00 . A X . 21 ILE CB 1 1 1 274 1 1 21 ILE CD1 C 1.553 -1.302 2.596 1.00 . A X . 21 ILE CD1 1 1 1 275 1 1 21 ILE CG1 C 2.536 -0.152 2.571 1.00 . A X . 21 ILE CG1 1 1 1 276 1 1 21 ILE CG2 C 1.440 1.242 0.803 1.00 . A X . 21 ILE CG2 1 1 1 277 1 1 21 ILE H H 3.330 2.139 4.600 1.00 . A X . 21 ILE H 1 1 1 278 1 1 21 ILE HA H 3.465 2.535 1.683 1.00 . A X . 21 ILE HA 1 1 1 279 1 1 21 ILE HB H 1.008 1.323 2.875 1.00 . A X . 21 ILE HB 1 1 1 280 1 1 21 ILE HD11 H 0.866 -1.170 3.420 1.00 . A X . 21 ILE HD11 1 1 1 281 1 1 21 ILE HD12 H 2.088 -2.231 2.719 1.00 . A X . 21 ILE HD12 1 1 1 282 1 1 21 ILE HD13 H 1.002 -1.323 1.669 1.00 . A X . 21 ILE HD13 1 1 1 283 1 1 21 ILE HG12 H 3.279 -0.369 1.821 1.00 . A X . 21 ILE HG12 1 1 1 284 1 1 21 ILE HG13 H 3.011 -0.101 3.540 1.00 . A X . 21 ILE HG13 1 1 1 285 1 1 21 ILE HG21 H 0.913 0.332 0.560 1.00 . A X . 21 ILE HG21 1 1 1 286 1 1 21 ILE HG22 H 2.307 1.337 0.167 1.00 . A X . 21 ILE HG22 1 1 1 287 1 1 21 ILE HG23 H 0.787 2.089 0.650 1.00 . A X . 21 ILE HG23 1 1 1 288 1 1 21 ILE N N 3.711 2.119 3.698 1.00 . A X . 21 ILE N 1 1 1 289 1 1 21 ILE O O 1.587 3.873 3.925 1.00 . A X . 21 ILE O 1 1 1 290 1 1 22 LYS C C -0.019 5.803 0.736 1.00 . A X . 22 LYS C 1 1 1 291 1 1 22 LYS CA C 0.939 5.606 1.906 1.00 . A X . 22 LYS CA 1 1 1 292 1 1 22 LYS CB C 1.841 6.830 2.059 1.00 . A X . 22 LYS CB 1 1 1 293 1 1 22 LYS CD C 3.188 8.120 3.749 1.00 . A X . 22 LYS CD 1 1 1 294 1 1 22 LYS CE C 4.080 8.033 4.980 1.00 . A X . 22 LYS CE 1 1 1 295 1 1 22 LYS CG C 2.756 6.744 3.268 1.00 . A X . 22 LYS CG 1 1 1 296 1 1 22 LYS H H 2.089 4.150 0.873 1.00 . A X . 22 LYS H 1 1 1 297 1 1 22 LYS HA H 0.355 5.496 2.807 1.00 . A X . 22 LYS HA 1 1 1 298 1 1 22 LYS HB2 H 2.454 6.926 1.174 1.00 . A X . 22 LYS HB2 1 1 1 299 1 1 22 LYS HB3 H 1.225 7.711 2.161 1.00 . A X . 22 LYS HB3 1 1 1 300 1 1 22 LYS HD2 H 3.731 8.614 2.960 1.00 . A X . 22 LYS HD2 1 1 1 301 1 1 22 LYS HD3 H 2.307 8.695 3.995 1.00 . A X . 22 LYS HD3 1 1 1 302 1 1 22 LYS HE2 H 3.608 8.573 5.787 1.00 . A X . 22 LYS HE2 1 1 1 303 1 1 22 LYS HE3 H 4.193 6.996 5.260 1.00 . A X . 22 LYS HE3 1 1 1 304 1 1 22 LYS HG2 H 2.235 6.241 4.066 1.00 . A X . 22 LYS HG2 1 1 1 305 1 1 22 LYS HG3 H 3.636 6.177 2.998 1.00 . A X . 22 LYS HG3 1 1 1 306 1 1 22 LYS HZ1 H 6.028 8.497 5.571 1.00 . A X . 22 LYS HZ1 1 1 1 307 1 1 22 LYS HZ2 H 5.343 9.632 4.521 1.00 . A X . 22 LYS HZ2 1 1 1 308 1 1 22 LYS HZ3 H 5.878 8.143 3.924 1.00 . A X . 22 LYS HZ3 1 1 1 309 1 1 22 LYS N N 1.742 4.396 1.754 1.00 . A X . 22 LYS N 1 1 1 310 1 1 22 LYS NZ N 5.426 8.617 4.732 1.00 . A X . 22 LYS NZ 1 1 1 311 1 1 22 LYS O O 0.386 5.770 -0.426 1.00 . A X . 22 LYS O 1 1 1 312 1 1 23 CYS C C -3.451 7.105 0.566 1.00 . A X . 23 CYS C 1 1 1 313 1 1 23 CYS CA C -2.310 6.244 0.033 1.00 . A X . 23 CYS CA 1 1 1 314 1 1 23 CYS CB C -2.861 4.918 -0.481 1.00 . A X . 23 CYS CB 1 1 1 315 1 1 23 CYS H H -1.552 6.053 2.005 1.00 . A X . 23 CYS H 1 1 1 316 1 1 23 CYS HA H -1.839 6.764 -0.783 1.00 . A X . 23 CYS HA 1 1 1 317 1 1 23 CYS HB2 H -2.053 4.208 -0.572 1.00 . A X . 23 CYS HB2 1 1 1 318 1 1 23 CYS HB3 H -3.588 4.544 0.221 1.00 . A X . 23 CYS HB3 1 1 1 319 1 1 23 CYS N N -1.293 6.023 1.056 1.00 . A X . 23 CYS N 1 1 1 320 1 1 23 CYS O O -4.221 6.660 1.424 1.00 . A X . 23 CYS O 1 1 1 321 1 1 23 CYS SG S -3.674 5.046 -2.105 1.00 . A X . 23 CYS SG 1 1 1 322 1 1 24 GLU C C -5.231 9.983 -0.736 1.00 . A X . 24 GLU C 1 1 1 323 1 1 24 GLU CA C -4.600 9.266 0.469 1.00 . A X . 24 GLU CA 1 1 1 324 1 1 24 GLU CB C -4.025 10.321 1.423 1.00 . A X . 24 GLU CB 1 1 1 325 1 1 24 GLU CD C -2.046 10.837 2.905 1.00 . A X . 24 GLU CD 1 1 1 326 1 1 24 GLU CG C -3.027 9.780 2.436 1.00 . A X . 24 GLU CG 1 1 1 327 1 1 24 GLU H H -2.909 8.618 -0.632 1.00 . A X . 24 GLU H 1 1 1 328 1 1 24 GLU HA H -5.355 8.702 0.989 1.00 . A X . 24 GLU HA 1 1 1 329 1 1 24 GLU HB2 H -3.529 11.081 0.838 1.00 . A X . 24 GLU HB2 1 1 1 330 1 1 24 GLU HB3 H -4.840 10.777 1.965 1.00 . A X . 24 GLU HB3 1 1 1 331 1 1 24 GLU HG2 H -3.568 9.414 3.292 1.00 . A X . 24 GLU HG2 1 1 1 332 1 1 24 GLU HG3 H -2.472 8.970 1.988 1.00 . A X . 24 GLU HG3 1 1 1 333 1 1 24 GLU N N -3.554 8.333 0.048 1.00 . A X . 24 GLU N 1 1 1 334 1 1 24 GLU O O -4.524 10.643 -1.498 1.00 . A X . 24 GLU O 1 1 1 335 1 1 24 GLU OE1 O -1.699 11.724 2.098 1.00 . A X . 24 GLU OE1 1 1 1 336 1 1 24 GLU OE2 O -1.625 10.777 4.080 1.00 . A X . 24 GLU OE2 1 1 1 337 1 1 25 PRO C C -7.801 11.915 -1.627 1.00 . A X . 25 PRO C 1 1 1 338 1 1 25 PRO CA C -7.258 10.546 -2.029 1.00 . A X . 25 PRO CA 1 1 1 339 1 1 25 PRO CB C -8.408 9.592 -2.326 1.00 . A X . 25 PRO CB 1 1 1 340 1 1 25 PRO CD C -7.523 9.143 -0.097 1.00 . A X . 25 PRO CD 1 1 1 341 1 1 25 PRO CG C -8.649 8.823 -1.056 1.00 . A X . 25 PRO CG 1 1 1 342 1 1 25 PRO HA H -6.626 10.644 -2.899 1.00 . A X . 25 PRO HA 1 1 1 343 1 1 25 PRO HB2 H -9.278 10.165 -2.611 1.00 . A X . 25 PRO HB2 1 1 1 344 1 1 25 PRO HB3 H -8.127 8.939 -3.135 1.00 . A X . 25 PRO HB3 1 1 1 345 1 1 25 PRO HD2 H -7.884 9.753 0.718 1.00 . A X . 25 PRO HD2 1 1 1 346 1 1 25 PRO HD3 H -7.085 8.230 0.277 1.00 . A X . 25 PRO HD3 1 1 1 347 1 1 25 PRO HG2 H -9.593 9.121 -0.627 1.00 . A X . 25 PRO HG2 1 1 1 348 1 1 25 PRO HG3 H -8.660 7.765 -1.272 1.00 . A X . 25 PRO HG3 1 1 1 349 1 1 25 PRO N N -6.568 9.886 -0.927 1.00 . A X . 25 PRO N 1 1 1 350 1 1 25 PRO O O -8.831 12.011 -0.960 1.00 . A X . 25 PRO O 1 1 1 351 1 1 26 LYS C C -7.800 15.162 -2.946 1.00 . A X . 26 LYS C 1 1 1 352 1 1 26 LYS CA C -7.517 14.334 -1.693 1.00 . A X . 26 LYS CA 1 1 1 353 1 1 26 LYS CB C -6.428 15.037 -0.874 1.00 . A X . 26 LYS CB 1 1 1 354 1 1 26 LYS CD C -6.636 13.846 1.335 1.00 . A X . 26 LYS CD 1 1 1 355 1 1 26 LYS CE C -5.838 13.770 2.627 1.00 . A X . 26 LYS CE 1 1 1 356 1 1 26 LYS CG C -5.737 14.146 0.147 1.00 . A X . 26 LYS CG 1 1 1 357 1 1 26 LYS H H -6.291 12.824 -2.561 1.00 . A X . 26 LYS H 1 1 1 358 1 1 26 LYS HA H -8.418 14.275 -1.101 1.00 . A X . 26 LYS HA 1 1 1 359 1 1 26 LYS HB2 H -5.677 15.416 -1.550 1.00 . A X . 26 LYS HB2 1 1 1 360 1 1 26 LYS HB3 H -6.874 15.868 -0.347 1.00 . A X . 26 LYS HB3 1 1 1 361 1 1 26 LYS HD2 H -7.373 14.630 1.424 1.00 . A X . 26 LYS HD2 1 1 1 362 1 1 26 LYS HD3 H -7.130 12.900 1.171 1.00 . A X . 26 LYS HD3 1 1 1 363 1 1 26 LYS HE2 H -6.483 13.407 3.413 1.00 . A X . 26 LYS HE2 1 1 1 364 1 1 26 LYS HE3 H -5.017 13.081 2.488 1.00 . A X . 26 LYS HE3 1 1 1 365 1 1 26 LYS HG2 H -5.468 13.215 -0.331 1.00 . A X . 26 LYS HG2 1 1 1 366 1 1 26 LYS HG3 H -4.844 14.643 0.496 1.00 . A X . 26 LYS HG3 1 1 1 367 1 1 26 LYS HZ1 H -5.108 15.676 2.177 1.00 . A X . 26 LYS HZ1 1 1 1 368 1 1 26 LYS HZ2 H -4.404 14.980 3.548 1.00 . A X . 26 LYS HZ2 1 1 1 369 1 1 26 LYS HZ3 H -5.976 15.599 3.627 1.00 . A X . 26 LYS HZ3 1 1 1 370 1 1 26 LYS N N -7.100 12.968 -2.027 1.00 . A X . 26 LYS N 1 1 1 371 1 1 26 LYS NZ N -5.293 15.099 3.022 1.00 . A X . 26 LYS NZ 1 1 1 372 1 1 26 LYS O O -6.906 15.849 -3.445 1.00 . A X . 26 LYS O 1 1 1 373 1 1 27 GLU C C -10.257 17.078 -4.298 1.00 . A X . 27 GLU C 1 1 1 374 1 1 27 GLU CA C -9.364 15.905 -4.652 1.00 . A X . 27 GLU CA 1 1 1 375 1 1 27 GLU CB C -10.061 15.030 -5.697 1.00 . A X . 27 GLU CB 1 1 1 376 1 1 27 GLU CD C -9.802 14.800 -8.212 1.00 . A X . 27 GLU CD 1 1 1 377 1 1 27 GLU CG C -10.191 15.704 -7.055 1.00 . A X . 27 GLU CG 1 1 1 378 1 1 27 GLU H H -9.718 14.565 -3.033 1.00 . A X . 27 GLU H 1 1 1 379 1 1 27 GLU HA H -8.443 16.283 -5.070 1.00 . A X . 27 GLU HA 1 1 1 380 1 1 27 GLU HB2 H -9.507 14.114 -5.818 1.00 . A X . 27 GLU HB2 1 1 1 381 1 1 27 GLU HB3 H -11.053 14.792 -5.343 1.00 . A X . 27 GLU HB3 1 1 1 382 1 1 27 GLU HG2 H -11.217 16.010 -7.191 1.00 . A X . 27 GLU HG2 1 1 1 383 1 1 27 GLU HG3 H -9.554 16.577 -7.069 1.00 . A X . 27 GLU HG3 1 1 1 384 1 1 27 GLU N N -9.031 15.118 -3.460 1.00 . A X . 27 GLU N 1 1 1 385 1 1 27 GLU O O -11.476 16.934 -4.285 1.00 . A X . 27 GLU O 1 1 1 386 1 1 27 GLU OE1 O -9.523 13.607 -7.972 1.00 . A X . 27 GLU OE1 1 1 1 387 1 1 27 GLU OE2 O -9.775 15.289 -9.360 1.00 . A X . 27 GLU OE2 1 1 1 388 1 1 28 GLY C C -11.216 19.358 -2.412 1.00 . A X . 28 GLY C 1 1 1 389 1 1 28 GLY CA C -10.392 19.458 -3.703 1.00 . A X . 28 GLY CA 1 1 1 390 1 1 28 GLY H H -8.670 18.274 -4.103 1.00 . A X . 28 GLY H 1 1 1 391 1 1 28 GLY HA2 H -9.687 20.268 -3.594 1.00 . A X . 28 GLY HA2 1 1 1 392 1 1 28 GLY HA3 H -11.059 19.693 -4.519 1.00 . A X . 28 GLY HA3 1 1 1 393 1 1 28 GLY N N -9.649 18.238 -4.047 1.00 . A X . 28 GLY N 1 1 1 394 1 1 28 GLY O O -11.102 20.212 -1.532 1.00 . A X . 28 GLY O 1 1 1 395 1 1 29 SER C C -12.675 16.640 -0.673 1.00 . A X . 29 SER C 1 1 1 396 1 1 29 SER CA C -12.878 18.076 -1.143 1.00 . A X . 29 SER CA 1 1 1 397 1 1 29 SER CB C -14.349 18.313 -1.492 1.00 . A X . 29 SER CB 1 1 1 398 1 1 29 SER H H -12.085 17.685 -3.031 1.00 . A X . 29 SER H 1 1 1 399 1 1 29 SER HA H -12.579 18.755 -0.358 1.00 . A X . 29 SER HA 1 1 1 400 1 1 29 SER HB2 H -14.797 17.383 -1.808 1.00 . A X . 29 SER HB2 1 1 1 401 1 1 29 SER HB3 H -14.868 18.685 -0.620 1.00 . A X . 29 SER HB3 1 1 1 402 1 1 29 SER HG H -14.366 18.820 -3.384 1.00 . A X . 29 SER HG 1 1 1 403 1 1 29 SER N N -12.036 18.317 -2.302 1.00 . A X . 29 SER N 1 1 1 404 1 1 29 SER O O -12.026 15.848 -1.356 1.00 . A X . 29 SER O 1 1 1 405 1 1 29 SER OG O -14.479 19.260 -2.538 1.00 . A X . 29 SER OG 1 1 1 406 1 1 30 LEU C C -13.599 13.902 0.059 1.00 . A X . 30 LEU C 1 1 1 407 1 1 30 LEU CA C -13.050 14.954 1.035 1.00 . A X . 30 LEU CA 1 1 1 408 1 1 30 LEU CB C -13.771 14.837 2.380 1.00 . A X . 30 LEU CB 1 1 1 409 1 1 30 LEU CD1 C -14.803 16.962 3.233 1.00 . A X . 30 LEU CD1 1 1 1 410 1 1 30 LEU CD2 C -13.380 15.577 4.752 1.00 . A X . 30 LEU CD2 1 1 1 411 1 1 30 LEU CG C -13.596 16.038 3.317 1.00 . A X . 30 LEU CG 1 1 1 412 1 1 30 LEU H H -13.705 16.973 1.006 1.00 . A X . 30 LEU H 1 1 1 413 1 1 30 LEU HA H -11.995 14.782 1.184 1.00 . A X . 30 LEU HA 1 1 1 414 1 1 30 LEU HB2 H -14.826 14.704 2.187 1.00 . A X . 30 LEU HB2 1 1 1 415 1 1 30 LEU HB3 H -13.401 13.956 2.884 1.00 . A X . 30 LEU HB3 1 1 1 416 1 1 30 LEU HD11 H -15.482 16.743 4.044 1.00 . A X . 30 LEU HD11 1 1 1 417 1 1 30 LEU HD12 H -15.308 16.810 2.291 1.00 . A X . 30 LEU HD12 1 1 1 418 1 1 30 LEU HD13 H -14.476 17.989 3.305 1.00 . A X . 30 LEU HD13 1 1 1 419 1 1 30 LEU HD21 H -12.971 14.577 4.751 1.00 . A X . 30 LEU HD21 1 1 1 420 1 1 30 LEU HD22 H -14.324 15.579 5.277 1.00 . A X . 30 LEU HD22 1 1 1 421 1 1 30 LEU HD23 H -12.692 16.247 5.245 1.00 . A X . 30 LEU HD23 1 1 1 422 1 1 30 LEU HG H -12.726 16.600 3.011 1.00 . A X . 30 LEU HG 1 1 1 423 1 1 30 LEU N N -13.208 16.303 0.494 1.00 . A X . 30 LEU N 1 1 1 424 1 1 30 LEU O O -14.638 14.113 -0.566 1.00 . A X . 30 LEU O 1 1 1 425 1 1 31 PRO C C -14.606 10.994 -0.581 1.00 . A X . 31 PRO C 1 1 1 426 1 1 31 PRO CA C -13.317 11.684 -1.017 1.00 . A X . 31 PRO CA 1 1 1 427 1 1 31 PRO CB C -12.149 10.694 -0.976 1.00 . A X . 31 PRO CB 1 1 1 428 1 1 31 PRO CD C -11.633 12.414 0.591 1.00 . A X . 31 PRO CD 1 1 1 429 1 1 31 PRO CG C -11.487 10.942 0.333 1.00 . A X . 31 PRO CG 1 1 1 430 1 1 31 PRO HA H -13.437 12.056 -2.023 1.00 . A X . 31 PRO HA 1 1 1 431 1 1 31 PRO HB2 H -12.527 9.684 -1.043 1.00 . A X . 31 PRO HB2 1 1 1 432 1 1 31 PRO HB3 H -11.479 10.888 -1.800 1.00 . A X . 31 PRO HB3 1 1 1 433 1 1 31 PRO HD2 H -11.707 12.606 1.651 1.00 . A X . 31 PRO HD2 1 1 1 434 1 1 31 PRO HD3 H -10.803 12.957 0.163 1.00 . A X . 31 PRO HD3 1 1 1 435 1 1 31 PRO HG2 H -11.979 10.374 1.109 1.00 . A X . 31 PRO HG2 1 1 1 436 1 1 31 PRO HG3 H -10.442 10.675 0.275 1.00 . A X . 31 PRO HG3 1 1 1 437 1 1 31 PRO N N -12.896 12.754 -0.098 1.00 . A X . 31 PRO N 1 1 1 438 1 1 31 PRO O O -15.092 11.207 0.530 1.00 . A X . 31 PRO O 1 1 1 439 1 1 32 LEU C C -16.087 8.003 -0.725 1.00 . A X . 32 LEU C 1 1 1 440 1 1 32 LEU CA C -16.382 9.431 -1.175 1.00 . A X . 32 LEU CA 1 1 1 441 1 1 32 LEU CB C -17.301 9.414 -2.401 1.00 . A X . 32 LEU CB 1 1 1 442 1 1 32 LEU CD1 C -19.226 10.392 -3.673 1.00 . A X . 32 LEU CD1 1 1 1 443 1 1 32 LEU CD2 C -19.222 10.444 -1.173 1.00 . A X . 32 LEU CD2 1 1 1 444 1 1 32 LEU CG C -18.363 10.513 -2.426 1.00 . A X . 32 LEU CG 1 1 1 445 1 1 32 LEU H H -14.714 10.031 -2.333 1.00 . A X . 32 LEU H 1 1 1 446 1 1 32 LEU HA H -16.884 9.945 -0.372 1.00 . A X . 32 LEU HA 1 1 1 447 1 1 32 LEU HB2 H -16.687 9.517 -3.285 1.00 . A X . 32 LEU HB2 1 1 1 448 1 1 32 LEU HB3 H -17.804 8.459 -2.442 1.00 . A X . 32 LEU HB3 1 1 1 449 1 1 32 LEU HD11 H -19.624 11.362 -3.932 1.00 . A X . 32 LEU HD11 1 1 1 450 1 1 32 LEU HD12 H -20.040 9.708 -3.482 1.00 . A X . 32 LEU HD12 1 1 1 451 1 1 32 LEU HD13 H -18.627 10.019 -4.491 1.00 . A X . 32 LEU HD13 1 1 1 452 1 1 32 LEU HD21 H -20.233 10.737 -1.412 1.00 . A X . 32 LEU HD21 1 1 1 453 1 1 32 LEU HD22 H -18.821 11.111 -0.424 1.00 . A X . 32 LEU HD22 1 1 1 454 1 1 32 LEU HD23 H -19.221 9.433 -0.791 1.00 . A X . 32 LEU HD23 1 1 1 455 1 1 32 LEU HG H -17.877 11.477 -2.448 1.00 . A X . 32 LEU HG 1 1 1 456 1 1 32 LEU N N -15.152 10.160 -1.466 1.00 . A X . 32 LEU N 1 1 1 457 1 1 32 LEU O O -16.439 7.610 0.387 1.00 . A X . 32 LEU O 1 1 1 458 1 1 33 GLN C C -13.801 5.428 -1.923 1.00 . A X . 33 GLN C 1 1 1 459 1 1 33 GLN CA C -15.116 5.846 -1.272 1.00 . A X . 33 GLN CA 1 1 1 460 1 1 33 GLN CB C -16.249 4.922 -1.728 1.00 . A X . 33 GLN CB 1 1 1 461 1 1 33 GLN CD C -17.846 4.449 -3.630 1.00 . A X . 33 GLN CD 1 1 1 462 1 1 33 GLN CG C -16.458 4.913 -3.233 1.00 . A X . 33 GLN CG 1 1 1 463 1 1 33 GLN H H -15.191 7.595 -2.468 1.00 . A X . 33 GLN H 1 1 1 464 1 1 33 GLN HA H -15.013 5.770 -0.200 1.00 . A X . 33 GLN HA 1 1 1 465 1 1 33 GLN HB2 H -16.026 3.913 -1.411 1.00 . A X . 33 GLN HB2 1 1 1 466 1 1 33 GLN HB3 H -17.169 5.241 -1.260 1.00 . A X . 33 GLN HB3 1 1 1 467 1 1 33 GLN HE21 H -17.109 3.523 -5.228 1.00 . A X . 33 GLN HE21 1 1 1 468 1 1 33 GLN HE22 H -18.820 3.408 -5.017 1.00 . A X . 33 GLN HE22 1 1 1 469 1 1 33 GLN HG2 H -16.306 5.912 -3.612 1.00 . A X . 33 GLN HG2 1 1 1 470 1 1 33 GLN HG3 H -15.734 4.246 -3.675 1.00 . A X . 33 GLN HG3 1 1 1 471 1 1 33 GLN N N -15.446 7.229 -1.593 1.00 . A X . 33 GLN N 1 1 1 472 1 1 33 GLN NE2 N -17.934 3.719 -4.736 1.00 . A X . 33 GLN NE2 1 1 1 473 1 1 33 GLN O O -13.489 5.845 -3.038 1.00 . A X . 33 GLN O 1 1 1 474 1 1 33 GLN OE1 O -18.830 4.748 -2.953 1.00 . A X . 33 GLN OE1 1 1 1 475 1 1 34 TYR C C -11.316 2.854 -0.997 1.00 . A X . 34 TYR C 1 1 1 476 1 1 34 TYR CA C -11.756 4.121 -1.730 1.00 . A X . 34 TYR CA 1 1 1 477 1 1 34 TYR CB C -10.692 5.216 -1.592 1.00 . A X . 34 TYR CB 1 1 1 478 1 1 34 TYR CD1 C -11.288 5.979 0.765 1.00 . A X . 34 TYR CD1 1 1 1 479 1 1 34 TYR CD2 C -8.981 5.397 0.284 1.00 . A X . 34 TYR CD2 1 1 1 480 1 1 34 TYR CE1 C -10.940 6.278 2.094 1.00 . A X . 34 TYR CE1 1 1 1 481 1 1 34 TYR CE2 C -8.625 5.693 1.611 1.00 . A X . 34 TYR CE2 1 1 1 482 1 1 34 TYR CG C -10.316 5.534 -0.161 1.00 . A X . 34 TYR CG 1 1 1 483 1 1 34 TYR CZ C -9.608 6.132 2.512 1.00 . A X . 34 TYR CZ 1 1 1 484 1 1 34 TYR H H -13.340 4.300 -0.337 1.00 . A X . 34 TYR H 1 1 1 485 1 1 34 TYR HA H -11.885 3.888 -2.776 1.00 . A X . 34 TYR HA 1 1 1 486 1 1 34 TYR HB2 H -9.797 4.904 -2.107 1.00 . A X . 34 TYR HB2 1 1 1 487 1 1 34 TYR HB3 H -11.063 6.123 -2.047 1.00 . A X . 34 TYR HB3 1 1 1 488 1 1 34 TYR HD1 H -12.312 6.089 0.440 1.00 . A X . 34 TYR HD1 1 1 1 489 1 1 34 TYR HD2 H -8.228 5.059 -0.412 1.00 . A X . 34 TYR HD2 1 1 1 490 1 1 34 TYR HE1 H -11.696 6.616 2.787 1.00 . A X . 34 TYR HE1 1 1 1 491 1 1 34 TYR HE2 H -7.600 5.582 1.933 1.00 . A X . 34 TYR HE2 1 1 1 492 1 1 34 TYR HH H -9.749 7.197 4.107 1.00 . A X . 34 TYR HH 1 1 1 493 1 1 34 TYR N N -13.035 4.599 -1.219 1.00 . A X . 34 TYR N 1 1 1 494 1 1 34 TYR O O -11.554 2.707 0.202 1.00 . A X . 34 TYR O 1 1 1 495 1 1 34 TYR OH O -9.263 6.423 3.812 1.00 . A X . 34 TYR OH 1 1 1 496 1 1 35 GLU C C -8.910 0.228 -1.798 1.00 . A X . 35 GLU C 1 1 1 497 1 1 35 GLU CA C -10.207 0.691 -1.136 1.00 . A X . 35 GLU CA 1 1 1 498 1 1 35 GLU CB C -11.286 -0.383 -1.286 1.00 . A X . 35 GLU CB 1 1 1 499 1 1 35 GLU CD C -13.626 -1.135 -0.677 1.00 . A X . 35 GLU CD 1 1 1 500 1 1 35 GLU CG C -12.522 -0.121 -0.439 1.00 . A X . 35 GLU CG 1 1 1 501 1 1 35 GLU H H -10.515 2.115 -2.674 1.00 . A X . 35 GLU H 1 1 1 502 1 1 35 GLU HA H -10.022 0.862 -0.084 1.00 . A X . 35 GLU HA 1 1 1 503 1 1 35 GLU HB2 H -11.588 -0.431 -2.322 1.00 . A X . 35 GLU HB2 1 1 1 504 1 1 35 GLU HB3 H -10.871 -1.336 -0.995 1.00 . A X . 35 GLU HB3 1 1 1 505 1 1 35 GLU HG2 H -12.242 -0.158 0.603 1.00 . A X . 35 GLU HG2 1 1 1 506 1 1 35 GLU HG3 H -12.900 0.863 -0.674 1.00 . A X . 35 GLU HG3 1 1 1 507 1 1 35 GLU N N -10.676 1.943 -1.723 1.00 . A X . 35 GLU N 1 1 1 508 1 1 35 GLU O O -8.724 0.400 -3.002 1.00 . A X . 35 GLU O 1 1 1 509 1 1 35 GLU OE1 O -13.490 -1.960 -1.606 1.00 . A X . 35 GLU OE1 1 1 1 510 1 1 35 GLU OE2 O -14.632 -1.100 0.063 1.00 . A X . 35 GLU OE2 1 1 1 511 1 1 36 TRP C C -6.868 -2.221 -2.178 1.00 . A X . 36 TRP C 1 1 1 512 1 1 36 TRP CA C -6.736 -0.845 -1.522 1.00 . A X . 36 TRP CA 1 1 1 513 1 1 36 TRP CB C -5.703 -0.937 -0.399 1.00 . A X . 36 TRP CB 1 1 1 514 1 1 36 TRP CD1 C -5.794 1.592 0.029 1.00 . A X . 36 TRP CD1 1 1 1 515 1 1 36 TRP CD2 C -3.848 0.621 0.573 1.00 . A X . 36 TRP CD2 1 1 1 516 1 1 36 TRP CE2 C -3.766 2.012 0.872 1.00 . A X . 36 TRP CE2 1 1 1 517 1 1 36 TRP CE3 C -2.723 -0.206 0.833 1.00 . A X . 36 TRP CE3 1 1 1 518 1 1 36 TRP CG C -5.154 0.383 0.043 1.00 . A X . 36 TRP CG 1 1 1 519 1 1 36 TRP CH2 C -1.510 1.764 1.666 1.00 . A X . 36 TRP CH2 1 1 1 520 1 1 36 TRP CZ2 C -2.599 2.595 1.422 1.00 . A X . 36 TRP CZ2 1 1 1 521 1 1 36 TRP CZ3 C -1.564 0.372 1.376 1.00 . A X . 36 TRP CZ3 1 1 1 522 1 1 36 TRP H H -8.220 -0.462 -0.051 1.00 . A X . 36 TRP H 1 1 1 523 1 1 36 TRP HA H -6.386 -0.139 -2.260 1.00 . A X . 36 TRP HA 1 1 1 524 1 1 36 TRP HB2 H -6.159 -1.407 0.458 1.00 . A X . 36 TRP HB2 1 1 1 525 1 1 36 TRP HB3 H -4.876 -1.543 -0.735 1.00 . A X . 36 TRP HB3 1 1 1 526 1 1 36 TRP HD1 H -6.805 1.739 -0.319 1.00 . A X . 36 TRP HD1 1 1 1 527 1 1 36 TRP HE1 H -5.209 3.517 0.636 1.00 . A X . 36 TRP HE1 1 1 1 528 1 1 36 TRP HE3 H -2.747 -1.264 0.618 1.00 . A X . 36 TRP HE3 1 1 1 529 1 1 36 TRP HH2 H -0.601 2.171 2.081 1.00 . A X . 36 TRP HH2 1 1 1 530 1 1 36 TRP HZ2 H -2.541 3.649 1.649 1.00 . A X . 36 TRP HZ2 1 1 1 531 1 1 36 TRP HZ3 H -0.699 -0.242 1.578 1.00 . A X . 36 TRP HZ3 1 1 1 532 1 1 36 TRP N N -8.017 -0.358 -1.006 1.00 . A X . 36 TRP N 1 1 1 533 1 1 36 TRP NE1 N -4.972 2.572 0.538 1.00 . A X . 36 TRP NE1 1 1 1 534 1 1 36 TRP O O -7.768 -2.996 -1.855 1.00 . A X . 36 TRP O 1 1 1 535 1 1 37 GLN C C -4.431 -4.213 -3.974 1.00 . A X . 37 GLN C 1 1 1 536 1 1 37 GLN CA C -5.885 -3.812 -3.764 1.00 . A X . 37 GLN CA 1 1 1 537 1 1 37 GLN CB C -6.619 -3.753 -5.104 1.00 . A X . 37 GLN CB 1 1 1 538 1 1 37 GLN CD C -8.840 -3.742 -6.306 1.00 . A X . 37 GLN CD 1 1 1 539 1 1 37 GLN CG C -8.132 -3.736 -4.966 1.00 . A X . 37 GLN CG 1 1 1 540 1 1 37 GLN H H -5.226 -1.866 -3.261 1.00 . A X . 37 GLN H 1 1 1 541 1 1 37 GLN HA H -6.360 -4.545 -3.128 1.00 . A X . 37 GLN HA 1 1 1 542 1 1 37 GLN HB2 H -6.317 -2.857 -5.627 1.00 . A X . 37 GLN HB2 1 1 1 543 1 1 37 GLN HB3 H -6.341 -4.614 -5.693 1.00 . A X . 37 GLN HB3 1 1 1 544 1 1 37 GLN HE21 H -10.476 -4.492 -5.461 1.00 . A X . 37 GLN HE21 1 1 1 545 1 1 37 GLN HE22 H -10.571 -4.214 -7.163 1.00 . A X . 37 GLN HE22 1 1 1 546 1 1 37 GLN HG2 H -8.439 -4.608 -4.409 1.00 . A X . 37 GLN HG2 1 1 1 547 1 1 37 GLN HG3 H -8.421 -2.845 -4.427 1.00 . A X . 37 GLN HG3 1 1 1 548 1 1 37 GLN N N -5.931 -2.523 -3.075 1.00 . A X . 37 GLN N 1 1 1 549 1 1 37 GLN NE2 N -10.089 -4.194 -6.311 1.00 . A X . 37 GLN NE2 1 1 1 550 1 1 37 GLN O O -3.623 -3.395 -4.400 1.00 . A X . 37 GLN O 1 1 1 551 1 1 37 GLN OE1 O -8.270 -3.352 -7.325 1.00 . A X . 37 GLN OE1 1 1 1 552 1 1 38 LYS C C -2.588 -7.358 -4.200 1.00 . A X . 38 LYS C 1 1 1 553 1 1 38 LYS CA C -2.689 -5.895 -3.791 1.00 . A X . 38 LYS CA 1 1 1 554 1 1 38 LYS CB C -1.920 -5.705 -2.474 1.00 . A X . 38 LYS CB 1 1 1 555 1 1 38 LYS CD C -3.610 -5.094 -0.727 1.00 . A X . 38 LYS CD 1 1 1 556 1 1 38 LYS CE C -4.462 -3.947 -0.213 1.00 . A X . 38 LYS CE 1 1 1 557 1 1 38 LYS CG C -2.452 -4.597 -1.577 1.00 . A X . 38 LYS CG 1 1 1 558 1 1 38 LYS H H -4.751 -6.072 -3.288 1.00 . A X . 38 LYS H 1 1 1 559 1 1 38 LYS HA H -2.226 -5.288 -4.554 1.00 . A X . 38 LYS HA 1 1 1 560 1 1 38 LYS HB2 H -1.956 -6.629 -1.915 1.00 . A X . 38 LYS HB2 1 1 1 561 1 1 38 LYS HB3 H -0.891 -5.484 -2.707 1.00 . A X . 38 LYS HB3 1 1 1 562 1 1 38 LYS HD2 H -4.228 -5.747 -1.324 1.00 . A X . 38 LYS HD2 1 1 1 563 1 1 38 LYS HD3 H -3.214 -5.641 0.116 1.00 . A X . 38 LYS HD3 1 1 1 564 1 1 38 LYS HE2 H -3.817 -3.211 0.244 1.00 . A X . 38 LYS HE2 1 1 1 565 1 1 38 LYS HE3 H -4.982 -3.501 -1.049 1.00 . A X . 38 LYS HE3 1 1 1 566 1 1 38 LYS HG2 H -1.662 -4.265 -0.929 1.00 . A X . 38 LYS HG2 1 1 1 567 1 1 38 LYS HG3 H -2.788 -3.775 -2.189 1.00 . A X . 38 LYS HG3 1 1 1 568 1 1 38 LYS HZ1 H -5.678 -5.414 0.643 1.00 . A X . 38 LYS HZ1 1 1 1 569 1 1 38 LYS HZ2 H -6.340 -3.858 0.698 1.00 . A X . 38 LYS HZ2 1 1 1 570 1 1 38 LYS HZ3 H -5.086 -4.280 1.752 1.00 . A X . 38 LYS HZ3 1 1 1 571 1 1 38 LYS N N -4.080 -5.455 -3.649 1.00 . A X . 38 LYS N 1 1 1 572 1 1 38 LYS NZ N -5.462 -4.407 0.790 1.00 . A X . 38 LYS NZ 1 1 1 573 1 1 38 LYS O O -3.543 -8.123 -4.067 1.00 . A X . 38 LYS O 1 1 1 574 1 1 39 LEU C C 0.201 -9.473 -4.343 1.00 . A X . 39 LEU C 1 1 1 575 1 1 39 LEU CA C -1.113 -9.111 -4.995 1.00 . A X . 39 LEU CA 1 1 1 576 1 1 39 LEU CB C -1.013 -9.271 -6.510 1.00 . A X . 39 LEU CB 1 1 1 577 1 1 39 LEU CD1 C -1.994 -8.944 -8.792 1.00 . A X . 39 LEU CD1 1 1 1 578 1 1 39 LEU CD2 C -3.479 -9.555 -6.877 1.00 . A X . 39 LEU CD2 1 1 1 579 1 1 39 LEU CG C -2.233 -8.791 -7.298 1.00 . A X . 39 LEU CG 1 1 1 580 1 1 39 LEU H H -0.653 -7.114 -4.656 1.00 . A X . 39 LEU H 1 1 1 581 1 1 39 LEU HA H -1.899 -9.742 -4.605 1.00 . A X . 39 LEU HA 1 1 1 582 1 1 39 LEU HB2 H -0.148 -8.723 -6.852 1.00 . A X . 39 LEU HB2 1 1 1 583 1 1 39 LEU HB3 H -0.863 -10.318 -6.726 1.00 . A X . 39 LEU HB3 1 1 1 584 1 1 39 LEU HD11 H -2.934 -9.132 -9.289 1.00 . A X . 39 LEU HD11 1 1 1 585 1 1 39 LEU HD12 H -1.322 -9.771 -8.966 1.00 . A X . 39 LEU HD12 1 1 1 586 1 1 39 LEU HD13 H -1.557 -8.036 -9.181 1.00 . A X . 39 LEU HD13 1 1 1 587 1 1 39 LEU HD21 H -3.962 -9.035 -6.063 1.00 . A X . 39 LEU HD21 1 1 1 588 1 1 39 LEU HD22 H -3.201 -10.548 -6.555 1.00 . A X . 39 LEU HD22 1 1 1 589 1 1 39 LEU HD23 H -4.158 -9.624 -7.713 1.00 . A X . 39 LEU HD23 1 1 1 590 1 1 39 LEU HG H -2.396 -7.743 -7.092 1.00 . A X . 39 LEU HG 1 1 1 591 1 1 39 LEU N N -1.392 -7.749 -4.636 1.00 . A X . 39 LEU N 1 1 1 592 1 1 39 LEU O O 1.275 -9.149 -4.852 1.00 . A X . 39 LEU O 1 1 1 593 1 1 40 SER C C 1.109 -11.913 -1.922 1.00 . A X . 40 SER C 1 1 1 594 1 1 40 SER CA C 1.282 -10.514 -2.464 1.00 . A X . 40 SER CA 1 1 1 595 1 1 40 SER CB C 1.543 -9.531 -1.319 1.00 . A X . 40 SER CB 1 1 1 596 1 1 40 SER H H -0.780 -10.331 -2.855 1.00 . A X . 40 SER H 1 1 1 597 1 1 40 SER HA H 2.126 -10.502 -3.138 1.00 . A X . 40 SER HA 1 1 1 598 1 1 40 SER HB2 H 0.634 -9.388 -0.755 1.00 . A X . 40 SER HB2 1 1 1 599 1 1 40 SER HB3 H 2.309 -9.931 -0.672 1.00 . A X . 40 SER HB3 1 1 1 600 1 1 40 SER HG H 2.653 -7.918 -1.236 1.00 . A X . 40 SER HG 1 1 1 601 1 1 40 SER N N 0.107 -10.123 -3.209 1.00 . A X . 40 SER N 1 1 1 602 1 1 40 SER O O 0.150 -12.204 -1.229 1.00 . A X . 40 SER O 1 1 1 603 1 1 40 SER OG O 1.974 -8.274 -1.814 1.00 . A X . 40 SER OG 1 1 1 604 1 1 41 ASP C C 1.658 -14.292 -0.302 1.00 . A X . 41 ASP C 1 1 1 605 1 1 41 ASP CA C 2.003 -14.179 -1.799 1.00 . A X . 41 ASP CA 1 1 1 606 1 1 41 ASP CB C 3.346 -14.853 -2.076 1.00 . A X . 41 ASP CB 1 1 1 607 1 1 41 ASP CG C 3.736 -14.775 -3.539 1.00 . A X . 41 ASP CG 1 1 1 608 1 1 41 ASP H H 2.780 -12.467 -2.819 1.00 . A X . 41 ASP H 1 1 1 609 1 1 41 ASP HA H 1.236 -14.682 -2.369 1.00 . A X . 41 ASP HA 1 1 1 610 1 1 41 ASP HB2 H 4.113 -14.370 -1.490 1.00 . A X . 41 ASP HB2 1 1 1 611 1 1 41 ASP HB3 H 3.283 -15.894 -1.794 1.00 . A X . 41 ASP HB3 1 1 1 612 1 1 41 ASP N N 2.045 -12.777 -2.248 1.00 . A X . 41 ASP N 1 1 1 613 1 1 41 ASP O O 1.077 -15.283 0.141 1.00 . A X . 41 ASP O 1 1 1 614 1 1 41 ASP OD1 O 2.875 -15.054 -4.399 1.00 . A X . 41 ASP OD1 1 1 1 615 1 1 41 ASP OD2 O 4.902 -14.429 -3.824 1.00 . A X . 41 ASP OD2 1 1 1 616 1 1 42 SER C C 0.397 -12.550 2.215 1.00 . A X . 42 SER C 1 1 1 617 1 1 42 SER CA C 1.751 -13.193 1.895 1.00 . A X . 42 SER CA 1 1 1 618 1 1 42 SER CB C 2.840 -12.428 2.618 1.00 . A X . 42 SER CB 1 1 1 619 1 1 42 SER H H 2.469 -12.501 0.034 1.00 . A X . 42 SER H 1 1 1 620 1 1 42 SER HA H 1.740 -14.207 2.267 1.00 . A X . 42 SER HA 1 1 1 621 1 1 42 SER HB2 H 3.089 -11.545 2.052 1.00 . A X . 42 SER HB2 1 1 1 622 1 1 42 SER HB3 H 2.469 -12.143 3.592 1.00 . A X . 42 SER HB3 1 1 1 623 1 1 42 SER HG H 4.783 -12.673 2.650 1.00 . A X . 42 SER HG 1 1 1 624 1 1 42 SER N N 2.014 -13.258 0.456 1.00 . A X . 42 SER N 1 1 1 625 1 1 42 SER O O 0.180 -12.116 3.344 1.00 . A X . 42 SER O 1 1 1 626 1 1 42 SER OG O 4.004 -13.219 2.781 1.00 . A X . 42 SER OG 1 1 1 627 1 1 43 GLN C C -2.562 -11.982 2.630 1.00 . A X . 43 GLN C 1 1 1 628 1 1 43 GLN CA C -1.803 -11.807 1.295 1.00 . A X . 43 GLN CA 1 1 1 629 1 1 43 GLN CB C -2.692 -12.348 0.167 1.00 . A X . 43 GLN CB 1 1 1 630 1 1 43 GLN CD C -2.489 -12.541 -2.354 1.00 . A X . 43 GLN CD 1 1 1 631 1 1 43 GLN CG C -2.544 -11.607 -1.154 1.00 . A X . 43 GLN CG 1 1 1 632 1 1 43 GLN H H -0.191 -12.768 0.329 1.00 . A X . 43 GLN H 1 1 1 633 1 1 43 GLN HA H -1.666 -10.751 1.126 1.00 . A X . 43 GLN HA 1 1 1 634 1 1 43 GLN HB2 H -2.452 -13.386 0.003 1.00 . A X . 43 GLN HB2 1 1 1 635 1 1 43 GLN HB3 H -3.726 -12.277 0.474 1.00 . A X . 43 GLN HB3 1 1 1 636 1 1 43 GLN HE21 H -1.181 -13.726 -1.430 1.00 . A X . 43 GLN HE21 1 1 1 637 1 1 43 GLN HE22 H -1.641 -14.214 -3.021 1.00 . A X . 43 GLN HE22 1 1 1 638 1 1 43 GLN HG2 H -3.395 -10.955 -1.274 1.00 . A X . 43 GLN HG2 1 1 1 639 1 1 43 GLN HG3 H -1.646 -11.014 -1.128 1.00 . A X . 43 GLN HG3 1 1 1 640 1 1 43 GLN N N -0.468 -12.437 1.204 1.00 . A X . 43 GLN N 1 1 1 641 1 1 43 GLN NE2 N -1.691 -13.601 -2.258 1.00 . A X . 43 GLN NE2 1 1 1 642 1 1 43 GLN O O -3.572 -11.303 2.824 1.00 . A X . 43 GLN O 1 1 1 643 1 1 43 GLN OE1 O -3.160 -12.312 -3.360 1.00 . A X . 43 GLN OE1 1 1 1 644 1 1 44 LYS C C -2.593 -11.856 5.720 1.00 . A X . 44 LYS C 1 1 1 645 1 1 44 LYS CA C -2.867 -13.031 4.788 1.00 . A X . 44 LYS CA 1 1 1 646 1 1 44 LYS CB C -2.431 -14.324 5.465 1.00 . A X . 44 LYS CB 1 1 1 647 1 1 44 LYS CD C -1.744 -16.714 5.128 1.00 . A X . 44 LYS CD 1 1 1 648 1 1 44 LYS CE C -1.686 -17.869 4.143 1.00 . A X . 44 LYS CE 1 1 1 649 1 1 44 LYS CG C -2.528 -15.542 4.564 1.00 . A X . 44 LYS CG 1 1 1 650 1 1 44 LYS H H -1.342 -13.407 3.374 1.00 . A X . 44 LYS H 1 1 1 651 1 1 44 LYS HA H -3.922 -13.076 4.564 1.00 . A X . 44 LYS HA 1 1 1 652 1 1 44 LYS HB2 H -1.407 -14.219 5.788 1.00 . A X . 44 LYS HB2 1 1 1 653 1 1 44 LYS HB3 H -3.058 -14.488 6.328 1.00 . A X . 44 LYS HB3 1 1 1 654 1 1 44 LYS HD2 H -0.737 -16.388 5.344 1.00 . A X . 44 LYS HD2 1 1 1 655 1 1 44 LYS HD3 H -2.219 -17.050 6.038 1.00 . A X . 44 LYS HD3 1 1 1 656 1 1 44 LYS HE2 H -1.296 -17.504 3.204 1.00 . A X . 44 LYS HE2 1 1 1 657 1 1 44 LYS HE3 H -1.026 -18.628 4.535 1.00 . A X . 44 LYS HE3 1 1 1 658 1 1 44 LYS HG2 H -3.566 -15.828 4.472 1.00 . A X . 44 LYS HG2 1 1 1 659 1 1 44 LYS HG3 H -2.134 -15.291 3.590 1.00 . A X . 44 LYS HG3 1 1 1 660 1 1 44 LYS HZ1 H -2.975 -19.184 3.159 1.00 . A X . 44 LYS HZ1 1 1 1 661 1 1 44 LYS HZ2 H -3.702 -17.728 3.619 1.00 . A X . 44 LYS HZ2 1 1 1 662 1 1 44 LYS HZ3 H -3.377 -18.913 4.781 1.00 . A X . 44 LYS HZ3 1 1 1 663 1 1 44 LYS N N -2.134 -12.863 3.541 1.00 . A X . 44 LYS N 1 1 1 664 1 1 44 LYS NZ N -3.029 -18.465 3.909 1.00 . A X . 44 LYS NZ 1 1 1 665 1 1 44 LYS O O -1.622 -11.847 6.476 1.00 . A X . 44 LYS O 1 1 1 666 1 1 45 MET C C -4.797 -9.091 6.684 1.00 . A X . 45 MET C 1 1 1 667 1 1 45 MET CA C -3.400 -9.674 6.476 1.00 . A X . 45 MET CA 1 1 1 668 1 1 45 MET CB C -2.485 -8.640 5.815 1.00 . A X . 45 MET CB 1 1 1 669 1 1 45 MET CE C 0.931 -7.107 7.321 1.00 . A X . 45 MET CE 1 1 1 670 1 1 45 MET CG C -1.032 -8.745 6.247 1.00 . A X . 45 MET CG 1 1 1 671 1 1 45 MET H H -4.233 -10.967 5.032 1.00 . A X . 45 MET H 1 1 1 672 1 1 45 MET HA H -2.991 -9.948 7.437 1.00 . A X . 45 MET HA 1 1 1 673 1 1 45 MET HB2 H -2.529 -8.771 4.743 1.00 . A X . 45 MET HB2 1 1 1 674 1 1 45 MET HB3 H -2.842 -7.653 6.061 1.00 . A X . 45 MET HB3 1 1 1 675 1 1 45 MET HE1 H 0.374 -6.594 8.090 1.00 . A X . 45 MET HE1 1 1 1 676 1 1 45 MET HE2 H 1.822 -6.544 7.085 1.00 . A X . 45 MET HE2 1 1 1 677 1 1 45 MET HE3 H 1.209 -8.090 7.672 1.00 . A X . 45 MET HE3 1 1 1 678 1 1 45 MET HG2 H -0.998 -8.902 7.314 1.00 . A X . 45 MET HG2 1 1 1 679 1 1 45 MET HG3 H -0.581 -9.589 5.745 1.00 . A X . 45 MET HG3 1 1 1 680 1 1 45 MET N N -3.482 -10.874 5.653 1.00 . A X . 45 MET N 1 1 1 681 1 1 45 MET O O -5.143 -8.086 6.071 1.00 . A X . 45 MET O 1 1 1 682 1 1 45 MET SD S -0.082 -7.263 5.852 1.00 . A X . 45 MET SD 1 1 1 683 1 1 46 PRO C C -7.026 -7.834 8.370 1.00 . A X . 46 PRO C 1 1 1 684 1 1 46 PRO CA C -6.998 -9.228 7.764 1.00 . A X . 46 PRO CA 1 1 1 685 1 1 46 PRO CB C -7.595 -10.252 8.736 1.00 . A X . 46 PRO CB 1 1 1 686 1 1 46 PRO CD C -5.346 -10.933 8.300 1.00 . A X . 46 PRO CD 1 1 1 687 1 1 46 PRO CG C -6.716 -11.452 8.628 1.00 . A X . 46 PRO CG 1 1 1 688 1 1 46 PRO HA H -7.567 -9.219 6.849 1.00 . A X . 46 PRO HA 1 1 1 689 1 1 46 PRO HB2 H -7.588 -9.846 9.737 1.00 . A X . 46 PRO HB2 1 1 1 690 1 1 46 PRO HB3 H -8.609 -10.479 8.443 1.00 . A X . 46 PRO HB3 1 1 1 691 1 1 46 PRO HD2 H -4.802 -10.701 9.205 1.00 . A X . 46 PRO HD2 1 1 1 692 1 1 46 PRO HD3 H -4.802 -11.649 7.702 1.00 . A X . 46 PRO HD3 1 1 1 693 1 1 46 PRO HG2 H -6.702 -11.982 9.569 1.00 . A X . 46 PRO HG2 1 1 1 694 1 1 46 PRO HG3 H -7.072 -12.098 7.839 1.00 . A X . 46 PRO HG3 1 1 1 695 1 1 46 PRO N N -5.635 -9.713 7.529 1.00 . A X . 46 PRO N 1 1 1 696 1 1 46 PRO O O -7.568 -6.900 7.778 1.00 . A X . 46 PRO O 1 1 1 697 1 1 47 THR C C -5.579 -5.423 9.399 1.00 . A X . 47 THR C 1 1 1 698 1 1 47 THR CA C -6.387 -6.411 10.218 1.00 . A X . 47 THR CA 1 1 1 699 1 1 47 THR CB C -5.785 -6.553 11.616 1.00 . A X . 47 THR CB 1 1 1 700 1 1 47 THR CG2 C -6.821 -6.814 12.688 1.00 . A X . 47 THR CG2 1 1 1 701 1 1 47 THR H H -6.009 -8.469 9.961 1.00 . A X . 47 THR H 1 1 1 702 1 1 47 THR HA H -7.399 -6.045 10.304 1.00 . A X . 47 THR HA 1 1 1 703 1 1 47 THR HB H -5.273 -5.636 11.870 1.00 . A X . 47 THR HB 1 1 1 704 1 1 47 THR HG1 H -4.070 -7.370 11.141 1.00 . A X . 47 THR HG1 1 1 1 705 1 1 47 THR HG21 H -7.754 -7.099 12.225 1.00 . A X . 47 THR HG21 1 1 1 706 1 1 47 THR HG22 H -6.968 -5.918 13.272 1.00 . A X . 47 THR HG22 1 1 1 707 1 1 47 THR HG23 H -6.481 -7.611 13.332 1.00 . A X . 47 THR HG23 1 1 1 708 1 1 47 THR N N -6.433 -7.695 9.544 1.00 . A X . 47 THR N 1 1 1 709 1 1 47 THR O O -5.891 -4.233 9.355 1.00 . A X . 47 THR O 1 1 1 710 1 1 47 THR OG1 O -4.845 -7.611 11.654 1.00 . A X . 47 THR OG1 1 1 1 711 1 1 48 SER C C -4.392 -4.614 6.682 1.00 . A X . 48 SER C 1 1 1 712 1 1 48 SER CA C -3.682 -5.064 7.947 1.00 . A X . 48 SER CA 1 1 1 713 1 1 48 SER CB C -2.355 -5.756 7.609 1.00 . A X . 48 SER CB 1 1 1 714 1 1 48 SER H H -4.322 -6.879 8.826 1.00 . A X . 48 SER H 1 1 1 715 1 1 48 SER HA H -3.482 -4.193 8.536 1.00 . A X . 48 SER HA 1 1 1 716 1 1 48 SER HB2 H -2.243 -5.821 6.536 1.00 . A X . 48 SER HB2 1 1 1 717 1 1 48 SER HB3 H -1.539 -5.178 8.018 1.00 . A X . 48 SER HB3 1 1 1 718 1 1 48 SER HG H -1.905 -7.033 9.025 1.00 . A X . 48 SER HG 1 1 1 719 1 1 48 SER N N -4.529 -5.921 8.754 1.00 . A X . 48 SER N 1 1 1 720 1 1 48 SER O O -4.284 -3.452 6.289 1.00 . A X . 48 SER O 1 1 1 721 1 1 48 SER OG O -2.301 -7.064 8.151 1.00 . A X . 48 SER OG 1 1 1 722 1 1 49 TRP C C -7.065 -4.283 5.192 1.00 . A X . 49 TRP C 1 1 1 723 1 1 49 TRP CA C -5.861 -5.157 4.850 1.00 . A X . 49 TRP CA 1 1 1 724 1 1 49 TRP CB C -6.267 -6.394 4.047 1.00 . A X . 49 TRP CB 1 1 1 725 1 1 49 TRP CD1 C -3.800 -6.928 3.597 1.00 . A X . 49 TRP CD1 1 1 1 726 1 1 49 TRP CD2 C -5.185 -7.543 1.944 1.00 . A X . 49 TRP CD2 1 1 1 727 1 1 49 TRP CE2 C -3.848 -7.884 1.579 1.00 . A X . 49 TRP CE2 1 1 1 728 1 1 49 TRP CE3 C -6.240 -7.843 1.039 1.00 . A X . 49 TRP CE3 1 1 1 729 1 1 49 TRP CG C -5.122 -6.937 3.241 1.00 . A X . 49 TRP CG 1 1 1 730 1 1 49 TRP CH2 C -4.590 -8.789 -0.521 1.00 . A X . 49 TRP CH2 1 1 1 731 1 1 49 TRP CZ2 C -3.538 -8.508 0.347 1.00 . A X . 49 TRP CZ2 1 1 1 732 1 1 49 TRP CZ3 C -5.933 -8.462 -0.184 1.00 . A X . 49 TRP CZ3 1 1 1 733 1 1 49 TRP H H -5.206 -6.430 6.413 1.00 . A X . 49 TRP H 1 1 1 734 1 1 49 TRP HA H -5.186 -4.570 4.246 1.00 . A X . 49 TRP HA 1 1 1 735 1 1 49 TRP HB2 H -6.611 -7.164 4.718 1.00 . A X . 49 TRP HB2 1 1 1 736 1 1 49 TRP HB3 H -7.061 -6.130 3.365 1.00 . A X . 49 TRP HB3 1 1 1 737 1 1 49 TRP HD1 H -3.428 -6.529 4.528 1.00 . A X . 49 TRP HD1 1 1 1 738 1 1 49 TRP HE1 H -2.055 -7.600 2.636 1.00 . A X . 49 TRP HE1 1 1 1 739 1 1 49 TRP HE3 H -7.265 -7.601 1.279 1.00 . A X . 49 TRP HE3 1 1 1 740 1 1 49 TRP HH2 H -4.397 -9.261 -1.472 1.00 . A X . 49 TRP HH2 1 1 1 741 1 1 49 TRP HZ2 H -2.524 -8.763 0.075 1.00 . A X . 49 TRP HZ2 1 1 1 742 1 1 49 TRP HZ3 H -6.722 -8.695 -0.884 1.00 . A X . 49 TRP HZ3 1 1 1 743 1 1 49 TRP N N -5.134 -5.517 6.053 1.00 . A X . 49 TRP N 1 1 1 744 1 1 49 TRP NE1 N -3.031 -7.494 2.607 1.00 . A X . 49 TRP NE1 1 1 1 745 1 1 49 TRP O O -7.582 -3.572 4.331 1.00 . A X . 49 TRP O 1 1 1 746 1 1 50 LEU C C -8.133 -2.010 6.869 1.00 . A X . 50 LEU C 1 1 1 747 1 1 50 LEU CA C -8.594 -3.454 6.894 1.00 . A X . 50 LEU CA 1 1 1 748 1 1 50 LEU CB C -9.067 -3.839 8.297 1.00 . A X . 50 LEU CB 1 1 1 749 1 1 50 LEU CD1 C -10.448 -5.305 9.788 1.00 . A X . 50 LEU CD1 1 1 1 750 1 1 50 LEU CD2 C -11.294 -4.674 7.520 1.00 . A X . 50 LEU CD2 1 1 1 751 1 1 50 LEU CG C -10.061 -4.999 8.349 1.00 . A X . 50 LEU CG 1 1 1 752 1 1 50 LEU H H -7.011 -4.848 7.130 1.00 . A X . 50 LEU H 1 1 1 753 1 1 50 LEU HA H -9.404 -3.580 6.192 1.00 . A X . 50 LEU HA 1 1 1 754 1 1 50 LEU HB2 H -8.200 -4.108 8.884 1.00 . A X . 50 LEU HB2 1 1 1 755 1 1 50 LEU HB3 H -9.531 -2.975 8.748 1.00 . A X . 50 LEU HB3 1 1 1 756 1 1 50 LEU HD11 H -11.141 -6.133 9.806 1.00 . A X . 50 LEU HD11 1 1 1 757 1 1 50 LEU HD12 H -10.914 -4.435 10.227 1.00 . A X . 50 LEU HD12 1 1 1 758 1 1 50 LEU HD13 H -9.564 -5.563 10.352 1.00 . A X . 50 LEU HD13 1 1 1 759 1 1 50 LEU HD21 H -11.465 -3.607 7.532 1.00 . A X . 50 LEU HD21 1 1 1 760 1 1 50 LEU HD22 H -12.152 -5.180 7.936 1.00 . A X . 50 LEU HD22 1 1 1 761 1 1 50 LEU HD23 H -11.141 -5.002 6.503 1.00 . A X . 50 LEU HD23 1 1 1 762 1 1 50 LEU HG H -9.599 -5.881 7.932 1.00 . A X . 50 LEU HG 1 1 1 763 1 1 50 LEU N N -7.484 -4.297 6.465 1.00 . A X . 50 LEU N 1 1 1 764 1 1 50 LEU O O -8.753 -1.137 6.245 1.00 . A X . 50 LEU O 1 1 1 765 1 1 51 ALA C C -6.086 -0.038 6.077 1.00 . A X . 51 ALA C 1 1 1 766 1 1 51 ALA CA C -6.381 -0.460 7.511 1.00 . A X . 51 ALA CA 1 1 1 767 1 1 51 ALA CB C -5.112 -0.456 8.351 1.00 . A X . 51 ALA CB 1 1 1 768 1 1 51 ALA H H -6.519 -2.524 7.934 1.00 . A X . 51 ALA H 1 1 1 769 1 1 51 ALA HA H -7.086 0.234 7.946 1.00 . A X . 51 ALA HA 1 1 1 770 1 1 51 ALA HB1 H -5.365 -0.268 9.384 1.00 . A X . 51 ALA HB1 1 1 1 771 1 1 51 ALA HB2 H -4.448 0.319 7.996 1.00 . A X . 51 ALA HB2 1 1 1 772 1 1 51 ALA HB3 H -4.623 -1.415 8.269 1.00 . A X . 51 ALA HB3 1 1 1 773 1 1 51 ALA N N -6.987 -1.778 7.502 1.00 . A X . 51 ALA N 1 1 1 774 1 1 51 ALA O O -6.111 1.138 5.749 1.00 . A X . 51 ALA O 1 1 1 775 1 1 52 GLU C C -6.857 -0.399 3.108 1.00 . A X . 52 GLU C 1 1 1 776 1 1 52 GLU CA C -5.564 -0.771 3.820 1.00 . A X . 52 GLU CA 1 1 1 777 1 1 52 GLU CB C -4.904 -1.985 3.170 1.00 . A X . 52 GLU CB 1 1 1 778 1 1 52 GLU CD C -2.982 -3.624 3.370 1.00 . A X . 52 GLU CD 1 1 1 779 1 1 52 GLU CG C -3.487 -2.226 3.668 1.00 . A X . 52 GLU CG 1 1 1 780 1 1 52 GLU H H -5.834 -1.952 5.539 1.00 . A X . 52 GLU H 1 1 1 781 1 1 52 GLU HA H -4.894 0.079 3.760 1.00 . A X . 52 GLU HA 1 1 1 782 1 1 52 GLU HB2 H -5.498 -2.860 3.381 1.00 . A X . 52 GLU HB2 1 1 1 783 1 1 52 GLU HB3 H -4.867 -1.834 2.102 1.00 . A X . 52 GLU HB3 1 1 1 784 1 1 52 GLU HG2 H -2.829 -1.517 3.189 1.00 . A X . 52 GLU HG2 1 1 1 785 1 1 52 GLU HG3 H -3.463 -2.069 4.736 1.00 . A X . 52 GLU HG3 1 1 1 786 1 1 52 GLU N N -5.827 -1.026 5.222 1.00 . A X . 52 GLU N 1 1 1 787 1 1 52 GLU O O -6.840 0.391 2.175 1.00 . A X . 52 GLU O 1 1 1 788 1 1 52 GLU OE1 O -3.445 -4.227 2.382 1.00 . A X . 52 GLU OE1 1 1 1 789 1 1 52 GLU OE2 O -2.117 -4.115 4.127 1.00 . A X . 52 GLU OE2 1 1 1 790 1 1 53 MET C C -9.389 0.971 2.988 1.00 . A X . 53 MET C 1 1 1 791 1 1 53 MET CA C -9.291 -0.552 2.963 1.00 . A X . 53 MET CA 1 1 1 792 1 1 53 MET CB C -10.467 -1.185 3.712 1.00 . A X . 53 MET CB 1 1 1 793 1 1 53 MET CE C -12.796 -3.645 2.382 1.00 . A X . 53 MET CE 1 1 1 794 1 1 53 MET CG C -10.501 -2.701 3.613 1.00 . A X . 53 MET CG 1 1 1 795 1 1 53 MET H H -7.986 -1.516 4.352 1.00 . A X . 53 MET H 1 1 1 796 1 1 53 MET HA H -9.285 -0.890 1.935 1.00 . A X . 53 MET HA 1 1 1 797 1 1 53 MET HB2 H -10.404 -0.913 4.755 1.00 . A X . 53 MET HB2 1 1 1 798 1 1 53 MET HB3 H -11.389 -0.798 3.303 1.00 . A X . 53 MET HB3 1 1 1 799 1 1 53 MET HE1 H -13.519 -2.871 2.168 1.00 . A X . 53 MET HE1 1 1 1 800 1 1 53 MET HE2 H -13.278 -4.610 2.337 1.00 . A X . 53 MET HE2 1 1 1 801 1 1 53 MET HE3 H -12.000 -3.606 1.652 1.00 . A X . 53 MET HE3 1 1 1 802 1 1 53 MET HG2 H -10.248 -2.988 2.603 1.00 . A X . 53 MET HG2 1 1 1 803 1 1 53 MET HG3 H -9.770 -3.108 4.294 1.00 . A X . 53 MET HG3 1 1 1 804 1 1 53 MET N N -8.004 -0.919 3.576 1.00 . A X . 53 MET N 1 1 1 805 1 1 53 MET O O -9.755 1.613 2.005 1.00 . A X . 53 MET O 1 1 1 806 1 1 53 MET SD S -12.116 -3.393 4.020 1.00 . A X . 53 MET SD 1 1 1 807 1 1 54 THR C C -7.671 3.220 5.222 1.00 . A X . 54 THR C 1 1 1 808 1 1 54 THR CA C -8.828 2.963 4.274 1.00 . A X . 54 THR CA 1 1 1 809 1 1 54 THR CB C -10.104 3.576 4.827 1.00 . A X . 54 THR CB 1 1 1 810 1 1 54 THR CG2 C -11.282 3.475 3.884 1.00 . A X . 54 THR CG2 1 1 1 811 1 1 54 THR H H -8.586 0.939 4.816 1.00 . A X . 54 THR H 1 1 1 812 1 1 54 THR HA H -8.601 3.394 3.308 1.00 . A X . 54 THR HA 1 1 1 813 1 1 54 THR HB H -9.914 4.622 5.011 1.00 . A X . 54 THR HB 1 1 1 814 1 1 54 THR HG1 H -10.069 3.442 6.781 1.00 . A X . 54 THR HG1 1 1 1 815 1 1 54 THR HG21 H -12.038 4.188 4.175 1.00 . A X . 54 THR HG21 1 1 1 816 1 1 54 THR HG22 H -11.692 2.476 3.927 1.00 . A X . 54 THR HG22 1 1 1 817 1 1 54 THR HG23 H -10.955 3.687 2.876 1.00 . A X . 54 THR HG23 1 1 1 818 1 1 54 THR N N -8.936 1.525 4.106 1.00 . A X . 54 THR N 1 1 1 819 1 1 54 THR O O -7.799 3.066 6.436 1.00 . A X . 54 THR O 1 1 1 820 1 1 54 THR OG1 O -10.470 2.964 6.051 1.00 . A X . 54 THR OG1 1 1 1 821 1 1 55 SER C C -4.868 5.197 5.539 1.00 . A X . 55 SER C 1 1 1 822 1 1 55 SER CA C -5.306 3.746 5.434 1.00 . A X . 55 SER CA 1 1 1 823 1 1 55 SER CB C -4.166 2.907 4.843 1.00 . A X . 55 SER CB 1 1 1 824 1 1 55 SER H H -6.477 3.592 3.677 1.00 . A X . 55 SER H 1 1 1 825 1 1 55 SER HA H -5.497 3.390 6.430 1.00 . A X . 55 SER HA 1 1 1 826 1 1 55 SER HB2 H -3.237 3.453 4.918 1.00 . A X . 55 SER HB2 1 1 1 827 1 1 55 SER HB3 H -4.081 1.981 5.393 1.00 . A X . 55 SER HB3 1 1 1 828 1 1 55 SER HG H -5.178 2.038 3.409 1.00 . A X . 55 SER HG 1 1 1 829 1 1 55 SER N N -6.521 3.545 4.651 1.00 . A X . 55 SER N 1 1 1 830 1 1 55 SER O O -4.926 5.776 6.624 1.00 . A X . 55 SER O 1 1 1 831 1 1 55 SER OG O -4.407 2.606 3.480 1.00 . A X . 55 SER OG 1 1 1 832 1 1 56 SER C C -2.290 7.010 4.612 1.00 . A X . 56 SER C 1 1 1 833 1 1 56 SER CA C -3.794 7.107 4.379 1.00 . A X . 56 SER CA 1 1 1 834 1 1 56 SER CB C -4.436 8.064 5.399 1.00 . A X . 56 SER CB 1 1 1 835 1 1 56 SER H H -4.281 5.197 3.622 1.00 . A X . 56 SER H 1 1 1 836 1 1 56 SER HA H -3.960 7.490 3.387 1.00 . A X . 56 SER HA 1 1 1 837 1 1 56 SER HB2 H -4.014 7.878 6.375 1.00 . A X . 56 SER HB2 1 1 1 838 1 1 56 SER HB3 H -4.237 9.085 5.111 1.00 . A X . 56 SER HB3 1 1 1 839 1 1 56 SER HG H -6.192 7.769 4.580 1.00 . A X . 56 SER HG 1 1 1 840 1 1 56 SER N N -4.348 5.746 4.429 1.00 . A X . 56 SER N 1 1 1 841 1 1 56 SER O O -1.492 7.610 3.891 1.00 . A X . 56 SER O 1 1 1 842 1 1 56 SER OG O -5.839 7.873 5.467 1.00 . A X . 56 SER OG 1 1 1 843 1 1 57 VAL C C -0.401 4.606 6.646 1.00 . A X . 57 VAL C 1 1 1 844 1 1 57 VAL CA C -0.519 5.963 5.952 1.00 . A X . 57 VAL CA 1 1 1 845 1 1 57 VAL CB C 0.083 7.059 6.871 1.00 . A X . 57 VAL CB 1 1 1 846 1 1 57 VAL CG1 C 1.534 7.317 6.499 1.00 . A X . 57 VAL CG1 1 1 1 847 1 1 57 VAL CG2 C -0.718 8.357 6.816 1.00 . A X . 57 VAL CG2 1 1 1 848 1 1 57 VAL H H -2.614 5.734 6.115 1.00 . A X . 57 VAL H 1 1 1 849 1 1 57 VAL HA H 0.048 5.934 5.032 1.00 . A X . 57 VAL HA 1 1 1 850 1 1 57 VAL HB H 0.065 6.692 7.886 1.00 . A X . 57 VAL HB 1 1 1 851 1 1 57 VAL HG11 H 1.941 6.446 6.009 1.00 . A X . 57 VAL HG11 1 1 1 852 1 1 57 VAL HG12 H 2.104 7.527 7.391 1.00 . A X . 57 VAL HG12 1 1 1 853 1 1 57 VAL HG13 H 1.588 8.164 5.830 1.00 . A X . 57 VAL HG13 1 1 1 854 1 1 57 VAL HG21 H -0.619 8.800 5.836 1.00 . A X . 57 VAL HG21 1 1 1 855 1 1 57 VAL HG22 H -0.345 9.043 7.561 1.00 . A X . 57 VAL HG22 1 1 1 856 1 1 57 VAL HG23 H -1.759 8.145 7.011 1.00 . A X . 57 VAL HG23 1 1 1 857 1 1 57 VAL N N -1.920 6.205 5.608 1.00 . A X . 57 VAL N 1 1 1 858 1 1 57 VAL O O -1.228 4.265 7.492 1.00 . A X . 57 VAL O 1 1 1 859 1 1 58 ILE C C 2.257 2.155 7.087 1.00 . A X . 58 ILE C 1 1 1 860 1 1 58 ILE CA C 0.784 2.497 6.866 1.00 . A X . 58 ILE CA 1 1 1 861 1 1 58 ILE CB C 0.163 1.403 5.973 1.00 . A X . 58 ILE CB 1 1 1 862 1 1 58 ILE CD1 C -1.923 0.759 4.672 1.00 . A X . 58 ILE CD1 1 1 1 863 1 1 58 ILE CG1 C -1.269 1.772 5.586 1.00 . A X . 58 ILE CG1 1 1 1 864 1 1 58 ILE CG2 C 0.183 0.058 6.689 1.00 . A X . 58 ILE CG2 1 1 1 865 1 1 58 ILE H H 1.228 4.134 5.589 1.00 . A X . 58 ILE H 1 1 1 866 1 1 58 ILE HA H 0.275 2.484 7.818 1.00 . A X . 58 ILE HA 1 1 1 867 1 1 58 ILE HB H 0.761 1.316 5.078 1.00 . A X . 58 ILE HB 1 1 1 868 1 1 58 ILE HD11 H -1.161 0.165 4.189 1.00 . A X . 58 ILE HD11 1 1 1 869 1 1 58 ILE HD12 H -2.506 1.274 3.922 1.00 . A X . 58 ILE HD12 1 1 1 870 1 1 58 ILE HD13 H -2.568 0.115 5.250 1.00 . A X . 58 ILE HD13 1 1 1 871 1 1 58 ILE HG12 H -1.869 1.849 6.480 1.00 . A X . 58 ILE HG12 1 1 1 872 1 1 58 ILE HG13 H -1.263 2.725 5.077 1.00 . A X . 58 ILE HG13 1 1 1 873 1 1 58 ILE HG21 H 1.200 -0.298 6.759 1.00 . A X . 58 ILE HG21 1 1 1 874 1 1 58 ILE HG22 H -0.411 -0.654 6.135 1.00 . A X . 58 ILE HG22 1 1 1 875 1 1 58 ILE HG23 H -0.227 0.174 7.682 1.00 . A X . 58 ILE HG23 1 1 1 876 1 1 58 ILE N N 0.605 3.823 6.277 1.00 . A X . 58 ILE N 1 1 1 877 1 1 58 ILE O O 3.137 2.635 6.374 1.00 . A X . 58 ILE O 1 1 1 878 1 1 59 SER C C 3.858 -0.695 8.463 1.00 . A X . 59 SER C 1 1 1 879 1 1 59 SER CA C 3.850 0.829 8.384 1.00 . A X . 59 SER CA 1 1 1 880 1 1 59 SER CB C 4.329 1.427 9.707 1.00 . A X . 59 SER CB 1 1 1 881 1 1 59 SER H H 1.748 0.928 8.579 1.00 . A X . 59 SER H 1 1 1 882 1 1 59 SER HA H 4.508 1.144 7.587 1.00 . A X . 59 SER HA 1 1 1 883 1 1 59 SER HB2 H 3.931 0.848 10.527 1.00 . A X . 59 SER HB2 1 1 1 884 1 1 59 SER HB3 H 5.408 1.404 9.739 1.00 . A X . 59 SER HB3 1 1 1 885 1 1 59 SER HG H 2.939 2.798 9.862 1.00 . A X . 59 SER HG 1 1 1 886 1 1 59 SER N N 2.502 1.288 8.068 1.00 . A X . 59 SER N 1 1 1 887 1 1 59 SER O O 2.978 -1.292 9.083 1.00 . A X . 59 SER O 1 1 1 888 1 1 59 SER OG O 3.898 2.770 9.844 1.00 . A X . 59 SER OG 1 1 1 889 1 1 60 VAL C C 6.326 -3.230 8.205 1.00 . A X . 60 VAL C 1 1 1 890 1 1 60 VAL CA C 4.928 -2.785 7.819 1.00 . A X . 60 VAL CA 1 1 1 891 1 1 60 VAL CB C 4.540 -3.442 6.460 1.00 . A X . 60 VAL CB 1 1 1 892 1 1 60 VAL CG1 C 3.730 -4.710 6.697 1.00 . A X . 60 VAL CG1 1 1 1 893 1 1 60 VAL CG2 C 3.771 -2.483 5.554 1.00 . A X . 60 VAL CG2 1 1 1 894 1 1 60 VAL H H 5.516 -0.800 7.335 1.00 . A X . 60 VAL H 1 1 1 895 1 1 60 VAL HA H 4.241 -3.150 8.572 1.00 . A X . 60 VAL HA 1 1 1 896 1 1 60 VAL HB H 5.447 -3.731 5.955 1.00 . A X . 60 VAL HB 1 1 1 897 1 1 60 VAL HG11 H 4.393 -5.562 6.712 1.00 . A X . 60 VAL HG11 1 1 1 898 1 1 60 VAL HG12 H 3.007 -4.831 5.903 1.00 . A X . 60 VAL HG12 1 1 1 899 1 1 60 VAL HG13 H 3.216 -4.637 7.644 1.00 . A X . 60 VAL HG13 1 1 1 900 1 1 60 VAL HG21 H 3.172 -1.819 6.159 1.00 . A X . 60 VAL HG21 1 1 1 901 1 1 60 VAL HG22 H 3.128 -3.049 4.896 1.00 . A X . 60 VAL HG22 1 1 1 902 1 1 60 VAL HG23 H 4.470 -1.906 4.967 1.00 . A X . 60 VAL HG23 1 1 1 903 1 1 60 VAL N N 4.837 -1.324 7.824 1.00 . A X . 60 VAL N 1 1 1 904 1 1 60 VAL O O 7.246 -2.411 8.299 1.00 . A X . 60 VAL O 1 1 1 905 1 1 61 LYS C C 8.344 -5.935 7.663 1.00 . A X . 61 LYS C 1 1 1 906 1 1 61 LYS CA C 7.780 -5.075 8.801 1.00 . A X . 61 LYS CA 1 1 1 907 1 1 61 LYS CB C 7.649 -5.917 10.070 1.00 . A X . 61 LYS CB 1 1 1 908 1 1 61 LYS CD C 7.093 -5.997 12.518 1.00 . A X . 61 LYS CD 1 1 1 909 1 1 61 LYS CE C 6.651 -5.194 13.731 1.00 . A X . 61 LYS CE 1 1 1 910 1 1 61 LYS CG C 7.208 -5.118 11.284 1.00 . A X . 61 LYS CG 1 1 1 911 1 1 61 LYS H H 5.715 -5.123 8.354 1.00 . A X . 61 LYS H 1 1 1 912 1 1 61 LYS HA H 8.455 -4.254 8.989 1.00 . A X . 61 LYS HA 1 1 1 913 1 1 61 LYS HB2 H 6.924 -6.698 9.897 1.00 . A X . 61 LYS HB2 1 1 1 914 1 1 61 LYS HB3 H 8.606 -6.368 10.289 1.00 . A X . 61 LYS HB3 1 1 1 915 1 1 61 LYS HD2 H 6.366 -6.773 12.329 1.00 . A X . 61 LYS HD2 1 1 1 916 1 1 61 LYS HD3 H 8.054 -6.443 12.723 1.00 . A X . 61 LYS HD3 1 1 1 917 1 1 61 LYS HE2 H 7.447 -4.521 14.011 1.00 . A X . 61 LYS HE2 1 1 1 918 1 1 61 LYS HE3 H 5.773 -4.622 13.467 1.00 . A X . 61 LYS HE3 1 1 1 919 1 1 61 LYS HG2 H 7.934 -4.342 11.475 1.00 . A X . 61 LYS HG2 1 1 1 920 1 1 61 LYS HG3 H 6.246 -4.672 11.079 1.00 . A X . 61 LYS HG3 1 1 1 921 1 1 61 LYS HZ1 H 6.768 -7.003 14.773 1.00 . A X . 61 LYS HZ1 1 1 1 922 1 1 61 LYS HZ2 H 5.297 -6.192 14.972 1.00 . A X . 61 LYS HZ2 1 1 1 923 1 1 61 LYS HZ3 H 6.681 -5.641 15.772 1.00 . A X . 61 LYS HZ3 1 1 1 924 1 1 61 LYS N N 6.485 -4.523 8.438 1.00 . A X . 61 LYS N 1 1 1 925 1 1 61 LYS NZ N 6.327 -6.069 14.893 1.00 . A X . 61 LYS NZ 1 1 1 926 1 1 61 LYS O O 7.635 -6.763 7.090 1.00 . A X . 61 LYS O 1 1 1 927 1 1 62 ASN C C 10.931 -7.813 6.928 1.00 . A X . 62 ASN C 1 1 1 928 1 1 62 ASN CA C 10.324 -6.546 6.329 1.00 . A X . 62 ASN CA 1 1 1 929 1 1 62 ASN CB C 11.447 -5.759 5.685 1.00 . A X . 62 ASN CB 1 1 1 930 1 1 62 ASN CG C 11.011 -4.804 4.601 1.00 . A X . 62 ASN CG 1 1 1 931 1 1 62 ASN H H 10.156 -5.098 7.882 1.00 . A X . 62 ASN H 1 1 1 932 1 1 62 ASN HA H 9.600 -6.819 5.576 1.00 . A X . 62 ASN HA 1 1 1 933 1 1 62 ASN HB2 H 11.915 -5.201 6.443 1.00 . A X . 62 ASN HB2 1 1 1 934 1 1 62 ASN HB3 H 12.166 -6.446 5.265 1.00 . A X . 62 ASN HB3 1 1 1 935 1 1 62 ASN HD21 H 10.182 -3.626 5.956 1.00 . A X . 62 ASN HD21 1 1 1 936 1 1 62 ASN HD22 H 10.093 -3.078 4.322 1.00 . A X . 62 ASN HD22 1 1 1 937 1 1 62 ASN N N 9.636 -5.759 7.369 1.00 . A X . 62 ASN N 1 1 1 938 1 1 62 ASN ND2 N 10.355 -3.735 4.997 1.00 . A X . 62 ASN ND2 1 1 1 939 1 1 62 ASN O O 11.889 -8.363 6.383 1.00 . A X . 62 ASN O 1 1 1 940 1 1 62 ASN OD1 O 11.300 -5.008 3.424 1.00 . A X . 62 ASN OD1 1 1 1 941 1 1 63 ALA C C 11.038 -10.627 7.881 1.00 . A X . 63 ALA C 1 1 1 942 1 1 63 ALA CA C 10.939 -9.400 8.788 1.00 . A X . 63 ALA CA 1 1 1 943 1 1 63 ALA CB C 10.059 -9.709 9.989 1.00 . A X . 63 ALA CB 1 1 1 944 1 1 63 ALA H H 9.698 -7.716 8.487 1.00 . A X . 63 ALA H 1 1 1 945 1 1 63 ALA HA H 11.925 -9.160 9.152 1.00 . A X . 63 ALA HA 1 1 1 946 1 1 63 ALA HB1 H 9.508 -8.823 10.269 1.00 . A X . 63 ALA HB1 1 1 1 947 1 1 63 ALA HB2 H 10.677 -10.025 10.817 1.00 . A X . 63 ALA HB2 1 1 1 948 1 1 63 ALA HB3 H 9.366 -10.498 9.735 1.00 . A X . 63 ALA HB3 1 1 1 949 1 1 63 ALA N N 10.423 -8.227 8.083 1.00 . A X . 63 ALA N 1 1 1 950 1 1 63 ALA O O 11.816 -11.542 8.152 1.00 . A X . 63 ALA O 1 1 1 951 1 1 64 SER C C 10.832 -11.376 4.527 1.00 . A X . 64 SER C 1 1 1 952 1 1 64 SER CA C 10.267 -11.780 5.884 1.00 . A X . 64 SER CA 1 1 1 953 1 1 64 SER CB C 8.856 -12.351 5.707 1.00 . A X . 64 SER CB 1 1 1 954 1 1 64 SER H H 9.644 -9.902 6.639 1.00 . A X . 64 SER H 1 1 1 955 1 1 64 SER HA H 10.900 -12.545 6.302 1.00 . A X . 64 SER HA 1 1 1 956 1 1 64 SER HB2 H 8.458 -12.043 4.752 1.00 . A X . 64 SER HB2 1 1 1 957 1 1 64 SER HB3 H 8.902 -13.429 5.743 1.00 . A X . 64 SER HB3 1 1 1 958 1 1 64 SER HG H 7.840 -12.608 7.362 1.00 . A X . 64 SER HG 1 1 1 959 1 1 64 SER N N 10.250 -10.651 6.809 1.00 . A X . 64 SER N 1 1 1 960 1 1 64 SER O O 10.317 -10.474 3.873 1.00 . A X . 64 SER O 1 1 1 961 1 1 64 SER OG O 7.987 -11.900 6.732 1.00 . A X . 64 SER OG 1 1 1 962 1 1 65 SER C C 11.663 -12.299 1.620 1.00 . A X . 65 SER C 1 1 1 963 1 1 65 SER CA C 12.524 -11.824 2.809 1.00 . A X . 65 SER CA 1 1 1 964 1 1 65 SER CB C 13.896 -12.499 2.767 1.00 . A X . 65 SER CB 1 1 1 965 1 1 65 SER H H 12.232 -12.793 4.672 1.00 . A X . 65 SER H 1 1 1 966 1 1 65 SER HA H 12.664 -10.757 2.722 1.00 . A X . 65 SER HA 1 1 1 967 1 1 65 SER HB2 H 14.122 -12.789 1.751 1.00 . A X . 65 SER HB2 1 1 1 968 1 1 65 SER HB3 H 14.647 -11.806 3.118 1.00 . A X . 65 SER HB3 1 1 1 969 1 1 65 SER HG H 14.381 -14.362 3.129 1.00 . A X . 65 SER HG 1 1 1 970 1 1 65 SER N N 11.882 -12.078 4.102 1.00 . A X . 65 SER N 1 1 1 971 1 1 65 SER O O 12.087 -12.236 0.469 1.00 . A X . 65 SER O 1 1 1 972 1 1 65 SER OG O 13.921 -13.655 3.586 1.00 . A X . 65 SER OG 1 1 1 973 1 1 66 GLU C C 8.408 -12.245 0.623 1.00 . A X . 66 GLU C 1 1 1 974 1 1 66 GLU CA C 9.563 -13.233 0.837 1.00 . A X . 66 GLU CA 1 1 1 975 1 1 66 GLU CB C 9.018 -14.622 1.164 1.00 . A X . 66 GLU CB 1 1 1 976 1 1 66 GLU CD C 9.501 -17.095 1.328 1.00 . A X . 66 GLU CD 1 1 1 977 1 1 66 GLU CG C 10.075 -15.712 1.095 1.00 . A X . 66 GLU CG 1 1 1 978 1 1 66 GLU H H 10.146 -12.824 2.811 1.00 . A X . 66 GLU H 1 1 1 979 1 1 66 GLU HA H 10.137 -13.291 -0.077 1.00 . A X . 66 GLU HA 1 1 1 980 1 1 66 GLU HB2 H 8.606 -14.609 2.162 1.00 . A X . 66 GLU HB2 1 1 1 981 1 1 66 GLU HB3 H 8.235 -14.864 0.461 1.00 . A X . 66 GLU HB3 1 1 1 982 1 1 66 GLU HG2 H 10.537 -15.689 0.120 1.00 . A X . 66 GLU HG2 1 1 1 983 1 1 66 GLU HG3 H 10.822 -15.517 1.851 1.00 . A X . 66 GLU HG3 1 1 1 984 1 1 66 GLU N N 10.455 -12.776 1.890 1.00 . A X . 66 GLU N 1 1 1 985 1 1 66 GLU O O 7.461 -12.547 -0.102 1.00 . A X . 66 GLU O 1 1 1 986 1 1 66 GLU OE1 O 8.574 -17.485 0.587 1.00 . A X . 66 GLU OE1 1 1 1 987 1 1 66 GLU OE2 O 9.978 -17.789 2.251 1.00 . A X . 66 GLU OE2 1 1 1 988 1 1 67 TYR C C 7.580 -9.189 -0.062 1.00 . A X . 67 TYR C 1 1 1 989 1 1 67 TYR CA C 7.393 -10.089 1.160 1.00 . A X . 67 TYR CA 1 1 1 990 1 1 67 TYR CB C 7.286 -9.240 2.438 1.00 . A X . 67 TYR CB 1 1 1 991 1 1 67 TYR CD1 C 4.839 -9.566 3.052 1.00 . A X . 67 TYR CD1 1 1 1 992 1 1 67 TYR CD2 C 6.534 -10.214 4.662 1.00 . A X . 67 TYR CD2 1 1 1 993 1 1 67 TYR CE1 C 3.831 -9.964 3.947 1.00 . A X . 67 TYR CE1 1 1 1 994 1 1 67 TYR CE2 C 5.532 -10.618 5.561 1.00 . A X . 67 TYR CE2 1 1 1 995 1 1 67 TYR CG C 6.204 -9.686 3.394 1.00 . A X . 67 TYR CG 1 1 1 996 1 1 67 TYR CZ C 4.183 -10.491 5.199 1.00 . A X . 67 TYR CZ 1 1 1 997 1 1 67 TYR H H 9.242 -10.874 1.849 1.00 . A X . 67 TYR H 1 1 1 998 1 1 67 TYR HA H 6.470 -10.636 1.036 1.00 . A X . 67 TYR HA 1 1 1 999 1 1 67 TYR HB2 H 8.220 -9.279 2.970 1.00 . A X . 67 TYR HB2 1 1 1 1000 1 1 67 TYR HB3 H 7.073 -8.219 2.167 1.00 . A X . 67 TYR HB3 1 1 1 1001 1 1 67 TYR HD1 H 4.572 -9.164 2.085 1.00 . A X . 67 TYR HD1 1 1 1 1002 1 1 67 TYR HD2 H 7.572 -10.305 4.938 1.00 . A X . 67 TYR HD2 1 1 1 1003 1 1 67 TYR HE1 H 2.792 -9.866 3.668 1.00 . A X . 67 TYR HE1 1 1 1 1004 1 1 67 TYR HE2 H 5.803 -11.023 6.525 1.00 . A X . 67 TYR HE2 1 1 1 1005 1 1 67 TYR HH H 3.442 -11.723 6.475 1.00 . A X . 67 TYR HH 1 1 1 1006 1 1 67 TYR N N 8.467 -11.076 1.278 1.00 . A X . 67 TYR N 1 1 1 1007 1 1 67 TYR O O 7.632 -7.963 0.049 1.00 . A X . 67 TYR O 1 1 1 1008 1 1 67 TYR OH O 3.200 -10.883 6.077 1.00 . A X . 67 TYR OH 1 1 1 1009 1 1 68 SER C C 6.544 -9.216 -3.318 1.00 . A X . 68 SER C 1 1 1 1010 1 1 68 SER CA C 7.802 -9.056 -2.476 1.00 . A X . 68 SER CA 1 1 1 1011 1 1 68 SER CB C 9.028 -9.535 -3.257 1.00 . A X . 68 SER CB 1 1 1 1012 1 1 68 SER H H 7.591 -10.781 -1.268 1.00 . A X . 68 SER H 1 1 1 1013 1 1 68 SER HA H 7.923 -8.014 -2.227 1.00 . A X . 68 SER HA 1 1 1 1014 1 1 68 SER HB2 H 9.920 -9.318 -2.689 1.00 . A X . 68 SER HB2 1 1 1 1015 1 1 68 SER HB3 H 8.955 -10.600 -3.421 1.00 . A X . 68 SER HB3 1 1 1 1016 1 1 68 SER HG H 8.556 -9.332 -5.148 1.00 . A X . 68 SER HG 1 1 1 1017 1 1 68 SER N N 7.656 -9.804 -1.234 1.00 . A X . 68 SER N 1 1 1 1018 1 1 68 SER O O 6.236 -10.315 -3.780 1.00 . A X . 68 SER O 1 1 1 1019 1 1 68 SER OG O 9.119 -8.884 -4.513 1.00 . A X . 68 SER OG 1 1 1 1020 1 1 69 GLY C C 4.202 -6.865 -4.897 1.00 . A X . 69 GLY C 1 1 1 1021 1 1 69 GLY CA C 4.588 -8.190 -4.280 1.00 . A X . 69 GLY CA 1 1 1 1022 1 1 69 GLY H H 6.093 -7.269 -3.107 1.00 . A X . 69 GLY H 1 1 1 1023 1 1 69 GLY HA2 H 4.717 -8.916 -5.068 1.00 . A X . 69 GLY HA2 1 1 1 1024 1 1 69 GLY HA3 H 3.787 -8.519 -3.633 1.00 . A X . 69 GLY HA3 1 1 1 1025 1 1 69 GLY N N 5.810 -8.122 -3.505 1.00 . A X . 69 GLY N 1 1 1 1026 1 1 69 GLY O O 4.773 -5.822 -4.569 1.00 . A X . 69 GLY O 1 1 1 1027 1 1 70 THR C C 1.483 -5.193 -5.789 1.00 . A X . 70 THR C 1 1 1 1028 1 1 70 THR CA C 2.746 -5.714 -6.463 1.00 . A X . 70 THR CA 1 1 1 1029 1 1 70 THR CB C 2.472 -6.011 -7.939 1.00 . A X . 70 THR CB 1 1 1 1030 1 1 70 THR CG2 C 3.666 -5.753 -8.833 1.00 . A X . 70 THR CG2 1 1 1 1031 1 1 70 THR H H 2.808 -7.775 -6.000 1.00 . A X . 70 THR H 1 1 1 1032 1 1 70 THR HA H 3.518 -4.962 -6.392 1.00 . A X . 70 THR HA 1 1 1 1033 1 1 70 THR HB H 1.662 -5.380 -8.278 1.00 . A X . 70 THR HB 1 1 1 1034 1 1 70 THR HG1 H 2.845 -7.937 -7.978 1.00 . A X . 70 THR HG1 1 1 1 1035 1 1 70 THR HG21 H 4.260 -6.652 -8.908 1.00 . A X . 70 THR HG21 1 1 1 1036 1 1 70 THR HG22 H 4.266 -4.959 -8.413 1.00 . A X . 70 THR HG22 1 1 1 1037 1 1 70 THR HG23 H 3.325 -5.465 -9.816 1.00 . A X . 70 THR HG23 1 1 1 1038 1 1 70 THR N N 3.224 -6.912 -5.791 1.00 . A X . 70 THR N 1 1 1 1039 1 1 70 THR O O 0.420 -5.806 -5.881 1.00 . A X . 70 THR O 1 1 1 1040 1 1 70 THR OG1 O 2.086 -7.364 -8.116 1.00 . A X . 70 THR OG1 1 1 1 1041 1 1 71 TYR C C -0.337 -2.581 -5.376 1.00 . A X . 71 TYR C 1 1 1 1042 1 1 71 TYR CA C 0.476 -3.452 -4.425 1.00 . A X . 71 TYR CA 1 1 1 1043 1 1 71 TYR CB C 0.957 -2.625 -3.229 1.00 . A X . 71 TYR CB 1 1 1 1044 1 1 71 TYR CD1 C 1.238 -4.665 -1.729 1.00 . A X . 71 TYR CD1 1 1 1 1045 1 1 71 TYR CD2 C 0.247 -2.657 -0.792 1.00 . A X . 71 TYR CD2 1 1 1 1046 1 1 71 TYR CE1 C 1.100 -5.314 -0.489 1.00 . A X . 71 TYR CE1 1 1 1 1047 1 1 71 TYR CE2 C 0.108 -3.297 0.449 1.00 . A X . 71 TYR CE2 1 1 1 1048 1 1 71 TYR CG C 0.813 -3.328 -1.900 1.00 . A X . 71 TYR CG 1 1 1 1049 1 1 71 TYR CZ C 0.535 -4.626 0.596 1.00 . A X . 71 TYR CZ 1 1 1 1050 1 1 71 TYR H H 2.481 -3.615 -5.078 1.00 . A X . 71 TYR H 1 1 1 1051 1 1 71 TYR HA H -0.154 -4.251 -4.066 1.00 . A X . 71 TYR HA 1 1 1 1052 1 1 71 TYR HB2 H 2.000 -2.383 -3.363 1.00 . A X . 71 TYR HB2 1 1 1 1053 1 1 71 TYR HB3 H 0.387 -1.713 -3.177 1.00 . A X . 71 TYR HB3 1 1 1 1054 1 1 71 TYR HD1 H 1.672 -5.190 -2.567 1.00 . A X . 71 TYR HD1 1 1 1 1055 1 1 71 TYR HD2 H -0.081 -1.635 -0.910 1.00 . A X . 71 TYR HD2 1 1 1 1056 1 1 71 TYR HE1 H 1.429 -6.335 -0.377 1.00 . A X . 71 TYR HE1 1 1 1 1057 1 1 71 TYR HE2 H -0.329 -2.768 1.281 1.00 . A X . 71 TYR HE2 1 1 1 1058 1 1 71 TYR HH H -0.125 -6.054 1.701 1.00 . A X . 71 TYR HH 1 1 1 1059 1 1 71 TYR N N 1.607 -4.057 -5.114 1.00 . A X . 71 TYR N 1 1 1 1060 1 1 71 TYR O O 0.055 -2.355 -6.520 1.00 . A X . 71 TYR O 1 1 1 1061 1 1 71 TYR OH O 0.399 -5.257 1.811 1.00 . A X . 71 TYR OH 1 1 1 1062 1 1 72 SER C C -3.340 -0.509 -4.846 1.00 . A X . 72 SER C 1 1 1 1063 1 1 72 SER CA C -2.339 -1.259 -5.714 1.00 . A X . 72 SER CA 1 1 1 1064 1 1 72 SER CB C -3.074 -2.095 -6.763 1.00 . A X . 72 SER CB 1 1 1 1065 1 1 72 SER H H -1.744 -2.320 -3.978 1.00 . A X . 72 SER H 1 1 1 1066 1 1 72 SER HA H -1.712 -0.538 -6.219 1.00 . A X . 72 SER HA 1 1 1 1067 1 1 72 SER HB2 H -2.476 -2.956 -7.020 1.00 . A X . 72 SER HB2 1 1 1 1068 1 1 72 SER HB3 H -4.022 -2.421 -6.362 1.00 . A X . 72 SER HB3 1 1 1 1069 1 1 72 SER HG H -3.636 -1.921 -8.632 1.00 . A X . 72 SER HG 1 1 1 1070 1 1 72 SER N N -1.476 -2.102 -4.900 1.00 . A X . 72 SER N 1 1 1 1071 1 1 72 SER O O -3.745 -0.990 -3.787 1.00 . A X . 72 SER O 1 1 1 1072 1 1 72 SER OG O -3.314 -1.340 -7.938 1.00 . A X . 72 SER OG 1 1 1 1073 1 1 73 CYS C C -5.852 1.885 -5.477 1.00 . A X . 73 CYS C 1 1 1 1074 1 1 73 CYS CA C -4.690 1.492 -4.572 1.00 . A X . 73 CYS CA 1 1 1 1075 1 1 73 CYS CB C -3.997 2.742 -4.030 1.00 . A X . 73 CYS CB 1 1 1 1076 1 1 73 CYS H H -3.375 0.998 -6.153 1.00 . A X . 73 CYS H 1 1 1 1077 1 1 73 CYS HA H -5.071 0.911 -3.746 1.00 . A X . 73 CYS HA 1 1 1 1078 1 1 73 CYS HB2 H -2.933 2.568 -3.994 1.00 . A X . 73 CYS HB2 1 1 1 1079 1 1 73 CYS HB3 H -4.197 3.571 -4.686 1.00 . A X . 73 CYS HB3 1 1 1 1080 1 1 73 CYS N N -3.735 0.670 -5.302 1.00 . A X . 73 CYS N 1 1 1 1081 1 1 73 CYS O O -5.662 2.129 -6.664 1.00 . A X . 73 CYS O 1 1 1 1082 1 1 73 CYS SG S -4.530 3.227 -2.364 1.00 . A X . 73 CYS SG 1 1 1 1083 1 1 74 THR C C -9.074 3.346 -4.961 1.00 . A X . 74 THR C 1 1 1 1084 1 1 74 THR CA C -8.230 2.312 -5.699 1.00 . A X . 74 THR CA 1 1 1 1085 1 1 74 THR CB C -9.072 1.072 -6.034 1.00 . A X . 74 THR CB 1 1 1 1086 1 1 74 THR CG2 C -9.163 0.803 -7.521 1.00 . A X . 74 THR CG2 1 1 1 1087 1 1 74 THR H H -7.153 1.737 -3.965 1.00 . A X . 74 THR H 1 1 1 1088 1 1 74 THR HA H -7.883 2.753 -6.622 1.00 . A X . 74 THR HA 1 1 1 1089 1 1 74 THR HB H -10.077 1.214 -5.664 1.00 . A X . 74 THR HB 1 1 1 1090 1 1 74 THR HG1 H -9.145 -0.822 -5.536 1.00 . A X . 74 THR HG1 1 1 1 1091 1 1 74 THR HG21 H -8.728 1.629 -8.063 1.00 . A X . 74 THR HG21 1 1 1 1092 1 1 74 THR HG22 H -10.199 0.692 -7.804 1.00 . A X . 74 THR HG22 1 1 1 1093 1 1 74 THR HG23 H -8.627 -0.105 -7.756 1.00 . A X . 74 THR HG23 1 1 1 1094 1 1 74 THR N N -7.054 1.944 -4.918 1.00 . A X . 74 THR N 1 1 1 1095 1 1 74 THR O O -9.403 3.174 -3.787 1.00 . A X . 74 THR O 1 1 1 1096 1 1 74 THR OG1 O -8.534 -0.090 -5.426 1.00 . A X . 74 THR OG1 1 1 1 1097 1 1 75 VAL C C -11.399 5.801 -6.011 1.00 . A X . 75 VAL C 1 1 1 1098 1 1 75 VAL CA C -10.238 5.482 -5.087 1.00 . A X . 75 VAL CA 1 1 1 1099 1 1 75 VAL CB C -9.433 6.774 -4.846 1.00 . A X . 75 VAL CB 1 1 1 1100 1 1 75 VAL CG1 C -10.153 7.666 -3.846 1.00 . A X . 75 VAL CG1 1 1 1 1101 1 1 75 VAL CG2 C -8.011 6.465 -4.384 1.00 . A X . 75 VAL CG2 1 1 1 1102 1 1 75 VAL H H -9.137 4.491 -6.597 1.00 . A X . 75 VAL H 1 1 1 1103 1 1 75 VAL HA H -10.626 5.135 -4.140 1.00 . A X . 75 VAL HA 1 1 1 1104 1 1 75 VAL HB H -9.378 7.308 -5.782 1.00 . A X . 75 VAL HB 1 1 1 1105 1 1 75 VAL HG11 H -9.804 7.443 -2.850 1.00 . A X . 75 VAL HG11 1 1 1 1106 1 1 75 VAL HG12 H -11.216 7.486 -3.902 1.00 . A X . 75 VAL HG12 1 1 1 1107 1 1 75 VAL HG13 H -9.951 8.701 -4.076 1.00 . A X . 75 VAL HG13 1 1 1 1108 1 1 75 VAL HG21 H -7.782 7.038 -3.498 1.00 . A X . 75 VAL HG21 1 1 1 1109 1 1 75 VAL HG22 H -7.314 6.722 -5.168 1.00 . A X . 75 VAL HG22 1 1 1 1110 1 1 75 VAL HG23 H -7.925 5.412 -4.161 1.00 . A X . 75 VAL HG23 1 1 1 1111 1 1 75 VAL N N -9.426 4.417 -5.663 1.00 . A X . 75 VAL N 1 1 1 1112 1 1 75 VAL O O -11.262 5.736 -7.233 1.00 . A X . 75 VAL O 1 1 1 1113 1 1 76 ARG C C -14.466 7.655 -5.712 1.00 . A X . 76 ARG C 1 1 1 1114 1 1 76 ARG CA C -13.712 6.448 -6.244 1.00 . A X . 76 ARG CA 1 1 1 1115 1 1 76 ARG CB C -14.653 5.250 -6.290 1.00 . A X . 76 ARG CB 1 1 1 1116 1 1 76 ARG CD C -14.974 2.820 -6.823 1.00 . A X . 76 ARG CD 1 1 1 1117 1 1 76 ARG CG C -13.979 3.963 -6.731 1.00 . A X . 76 ARG CG 1 1 1 1118 1 1 76 ARG CZ C -15.337 0.873 -8.296 1.00 . A X . 76 ARG CZ 1 1 1 1119 1 1 76 ARG H H -12.604 6.171 -4.461 1.00 . A X . 76 ARG H 1 1 1 1120 1 1 76 ARG HA H -13.377 6.663 -7.246 1.00 . A X . 76 ARG HA 1 1 1 1121 1 1 76 ARG HB2 H -15.071 5.099 -5.309 1.00 . A X . 76 ARG HB2 1 1 1 1122 1 1 76 ARG HB3 H -15.452 5.468 -6.983 1.00 . A X . 76 ARG HB3 1 1 1 1123 1 1 76 ARG HD2 H -15.089 2.379 -5.844 1.00 . A X . 76 ARG HD2 1 1 1 1124 1 1 76 ARG HD3 H -15.924 3.212 -7.156 1.00 . A X . 76 ARG HD3 1 1 1 1125 1 1 76 ARG HE H -13.584 1.784 -8.009 1.00 . A X . 76 ARG HE 1 1 1 1126 1 1 76 ARG HG2 H -13.526 4.115 -7.698 1.00 . A X . 76 ARG HG2 1 1 1 1127 1 1 76 ARG HG3 H -13.216 3.706 -6.010 1.00 . A X . 76 ARG HG3 1 1 1 1128 1 1 76 ARG HH11 H -16.999 1.482 -7.312 1.00 . A X . 76 ARG HH11 1 1 1 1129 1 1 76 ARG HH12 H -17.219 0.137 -8.379 1.00 . A X . 76 ARG HH12 1 1 1 1130 1 1 76 ARG HH21 H -13.883 0.024 -9.413 1.00 . A X . 76 ARG HH21 1 1 1 1131 1 1 76 ARG HH22 H -15.454 -0.690 -9.571 1.00 . A X . 76 ARG HH22 1 1 1 1132 1 1 76 ARG N N -12.544 6.136 -5.437 1.00 . A X . 76 ARG N 1 1 1 1133 1 1 76 ARG NE N -14.531 1.788 -7.758 1.00 . A X . 76 ARG NE 1 1 1 1134 1 1 76 ARG NH1 N -16.624 0.827 -7.968 1.00 . A X . 76 ARG NH1 1 1 1 1135 1 1 76 ARG NH2 N -14.852 -0.003 -9.164 1.00 . A X . 76 ARG NH2 1 1 1 1136 1 1 76 ARG O O -15.276 7.537 -4.792 1.00 . A X . 76 ARG O 1 1 1 1137 1 1 77 ASN C C -15.570 10.645 -7.144 1.00 . A X . 77 ASN C 1 1 1 1138 1 1 77 ASN CA C -14.913 10.024 -5.920 1.00 . A X . 77 ASN CA 1 1 1 1139 1 1 77 ASN CB C -13.935 11.014 -5.285 1.00 . A X . 77 ASN CB 1 1 1 1140 1 1 77 ASN CG C -14.604 11.912 -4.263 1.00 . A X . 77 ASN CG 1 1 1 1141 1 1 77 ASN H H -13.583 8.846 -7.056 1.00 . A X . 77 ASN H 1 1 1 1142 1 1 77 ASN HA H -15.677 9.763 -5.202 1.00 . A X . 77 ASN HA 1 1 1 1143 1 1 77 ASN HB2 H -13.145 10.467 -4.794 1.00 . A X . 77 ASN HB2 1 1 1 1144 1 1 77 ASN HB3 H -13.510 11.636 -6.060 1.00 . A X . 77 ASN HB3 1 1 1 1145 1 1 77 ASN HD21 H -13.214 13.307 -4.540 1.00 . A X . 77 ASN HD21 1 1 1 1146 1 1 77 ASN HD22 H -14.439 13.687 -3.382 1.00 . A X . 77 ASN HD22 1 1 1 1147 1 1 77 ASN N N -14.225 8.811 -6.315 1.00 . A X . 77 ASN N 1 1 1 1148 1 1 77 ASN ND2 N -14.028 13.088 -4.039 1.00 . A X . 77 ASN ND2 1 1 1 1149 1 1 77 ASN O O -14.971 10.684 -8.219 1.00 . A X . 77 ASN O 1 1 1 1150 1 1 77 ASN OD1 O -15.626 11.553 -3.678 1.00 . A X . 77 ASN OD1 1 1 1 1151 1 1 78 ARG C C -16.624 12.778 -8.808 1.00 . A X . 78 ARG C 1 1 1 1152 1 1 78 ARG CA C -17.526 11.769 -8.097 1.00 . A X . 78 ARG CA 1 1 1 1153 1 1 78 ARG CB C -18.777 12.474 -7.574 1.00 . A X . 78 ARG CB 1 1 1 1154 1 1 78 ARG CD C -21.035 12.284 -6.501 1.00 . A X . 78 ARG CD 1 1 1 1155 1 1 78 ARG CG C -19.819 11.526 -7.006 1.00 . A X . 78 ARG CG 1 1 1 1156 1 1 78 ARG CZ C -23.388 11.829 -5.909 1.00 . A X . 78 ARG CZ 1 1 1 1157 1 1 78 ARG H H -17.226 11.086 -6.105 1.00 . A X . 78 ARG H 1 1 1 1158 1 1 78 ARG HA H -17.814 10.997 -8.794 1.00 . A X . 78 ARG HA 1 1 1 1159 1 1 78 ARG HB2 H -18.488 13.165 -6.796 1.00 . A X . 78 ARG HB2 1 1 1 1160 1 1 78 ARG HB3 H -19.229 13.027 -8.384 1.00 . A X . 78 ARG HB3 1 1 1 1161 1 1 78 ARG HD2 H -20.791 12.739 -5.553 1.00 . A X . 78 ARG HD2 1 1 1 1162 1 1 78 ARG HD3 H -21.286 13.054 -7.216 1.00 . A X . 78 ARG HD3 1 1 1 1163 1 1 78 ARG HE H -22.075 10.458 -6.529 1.00 . A X . 78 ARG HE 1 1 1 1164 1 1 78 ARG HG2 H -20.129 10.839 -7.779 1.00 . A X . 78 ARG HG2 1 1 1 1165 1 1 78 ARG HG3 H -19.382 10.976 -6.186 1.00 . A X . 78 ARG HG3 1 1 1 1166 1 1 78 ARG HH11 H -22.835 13.762 -5.662 1.00 . A X . 78 ARG HH11 1 1 1 1167 1 1 78 ARG HH12 H -24.488 13.409 -5.287 1.00 . A X . 78 ARG HH12 1 1 1 1168 1 1 78 ARG HH21 H -24.248 10.005 -6.039 1.00 . A X . 78 ARG HH21 1 1 1 1169 1 1 78 ARG HH22 H -25.289 11.281 -5.501 1.00 . A X . 78 ARG HH22 1 1 1 1170 1 1 78 ARG N N -16.800 11.139 -6.985 1.00 . A X . 78 ARG N 1 1 1 1171 1 1 78 ARG NE N -22.192 11.409 -6.321 1.00 . A X . 78 ARG NE 1 1 1 1172 1 1 78 ARG NH1 N -23.586 13.105 -5.594 1.00 . A X . 78 ARG NH1 1 1 1 1173 1 1 78 ARG NH2 N -24.390 10.968 -5.808 1.00 . A X . 78 ARG NH2 1 1 1 1174 1 1 78 ARG O O -16.707 12.976 -10.020 1.00 . A X . 78 ARG O 1 1 1 1175 1 1 79 VAL C C -13.396 13.718 -8.524 1.00 . A X . 79 VAL C 1 1 1 1176 1 1 79 VAL CA C -14.788 14.348 -8.498 1.00 . A X . 79 VAL CA 1 1 1 1177 1 1 79 VAL CB C -14.774 15.602 -7.606 1.00 . A X . 79 VAL CB 1 1 1 1178 1 1 79 VAL CG1 C -16.028 16.433 -7.830 1.00 . A X . 79 VAL CG1 1 1 1 1179 1 1 79 VAL CG2 C -14.636 15.208 -6.143 1.00 . A X . 79 VAL CG2 1 1 1 1180 1 1 79 VAL H H -15.735 13.160 -7.068 1.00 . A X . 79 VAL H 1 1 1 1181 1 1 79 VAL HA H -15.068 14.638 -9.501 1.00 . A X . 79 VAL HA 1 1 1 1182 1 1 79 VAL HB H -13.920 16.199 -7.876 1.00 . A X . 79 VAL HB 1 1 1 1183 1 1 79 VAL HG11 H -15.767 17.480 -7.851 1.00 . A X . 79 VAL HG11 1 1 1 1184 1 1 79 VAL HG12 H -16.727 16.253 -7.026 1.00 . A X . 79 VAL HG12 1 1 1 1185 1 1 79 VAL HG13 H -16.481 16.155 -8.770 1.00 . A X . 79 VAL HG13 1 1 1 1186 1 1 79 VAL HG21 H -14.260 14.197 -6.079 1.00 . A X . 79 VAL HG21 1 1 1 1187 1 1 79 VAL HG22 H -15.602 15.264 -5.663 1.00 . A X . 79 VAL HG22 1 1 1 1188 1 1 79 VAL HG23 H -13.949 15.880 -5.652 1.00 . A X . 79 VAL HG23 1 1 1 1189 1 1 79 VAL N N -15.748 13.383 -8.020 1.00 . A X . 79 VAL N 1 1 1 1190 1 1 79 VAL O O -12.464 14.223 -7.893 1.00 . A X . 79 VAL O 1 1 1 1191 1 1 80 GLY C C -11.985 10.455 -8.834 1.00 . A X . 80 GLY C 1 1 1 1192 1 1 80 GLY CA C -11.967 11.916 -9.274 1.00 . A X . 80 GLY CA 1 1 1 1193 1 1 80 GLY H H -14.030 12.212 -9.697 1.00 . A X . 80 GLY H 1 1 1 1194 1 1 80 GLY HA2 H -11.595 11.958 -10.285 1.00 . A X . 80 GLY HA2 1 1 1 1195 1 1 80 GLY HA3 H -11.280 12.453 -8.638 1.00 . A X . 80 GLY HA3 1 1 1 1196 1 1 80 GLY N N -13.257 12.591 -9.232 1.00 . A X . 80 GLY N 1 1 1 1197 1 1 80 GLY O O -11.377 10.083 -7.831 1.00 . A X . 80 GLY O 1 1 1 1198 1 1 81 SER C C -11.724 7.459 -10.207 1.00 . A X . 81 SER C 1 1 1 1199 1 1 81 SER CA C -12.716 8.186 -9.302 1.00 . A X . 81 SER CA 1 1 1 1200 1 1 81 SER CB C -14.127 7.630 -9.500 1.00 . A X . 81 SER CB 1 1 1 1201 1 1 81 SER H H -13.130 9.954 -10.396 1.00 . A X . 81 SER H 1 1 1 1202 1 1 81 SER HA H -12.410 8.045 -8.279 1.00 . A X . 81 SER HA 1 1 1 1203 1 1 81 SER HB2 H -14.081 6.554 -9.574 1.00 . A X . 81 SER HB2 1 1 1 1204 1 1 81 SER HB3 H -14.743 7.907 -8.657 1.00 . A X . 81 SER HB3 1 1 1 1205 1 1 81 SER HG H -14.614 7.506 -11.394 1.00 . A X . 81 SER HG 1 1 1 1206 1 1 81 SER N N -12.672 9.614 -9.599 1.00 . A X . 81 SER N 1 1 1 1207 1 1 81 SER O O -11.930 7.368 -11.417 1.00 . A X . 81 SER O 1 1 1 1208 1 1 81 SER OG O -14.716 8.143 -10.683 1.00 . A X . 81 SER OG 1 1 1 1209 1 1 82 ASP C C -8.863 5.233 -9.569 1.00 . A X . 82 ASP C 1 1 1 1210 1 1 82 ASP CA C -9.597 6.286 -10.398 1.00 . A X . 82 ASP CA 1 1 1 1211 1 1 82 ASP CB C -8.597 7.310 -10.939 1.00 . A X . 82 ASP CB 1 1 1 1212 1 1 82 ASP CG C -9.280 8.467 -11.642 1.00 . A X . 82 ASP CG 1 1 1 1213 1 1 82 ASP H H -10.504 7.088 -8.656 1.00 . A X . 82 ASP H 1 1 1 1214 1 1 82 ASP HA H -10.080 5.798 -11.231 1.00 . A X . 82 ASP HA 1 1 1 1215 1 1 82 ASP HB2 H -8.015 7.705 -10.120 1.00 . A X . 82 ASP HB2 1 1 1 1216 1 1 82 ASP HB3 H -7.938 6.826 -11.644 1.00 . A X . 82 ASP HB3 1 1 1 1217 1 1 82 ASP N N -10.629 6.969 -9.622 1.00 . A X . 82 ASP N 1 1 1 1218 1 1 82 ASP O O -9.270 4.903 -8.456 1.00 . A X . 82 ASP O 1 1 1 1219 1 1 82 ASP OD1 O -9.949 8.226 -12.669 1.00 . A X . 82 ASP OD1 1 1 1 1220 1 1 82 ASP OD2 O -9.149 9.613 -11.164 1.00 . A X . 82 ASP OD2 1 1 1 1221 1 1 83 GLN C C -5.551 4.173 -9.223 1.00 . A X . 83 GLN C 1 1 1 1222 1 1 83 GLN CA C -6.977 3.683 -9.471 1.00 . A X . 83 GLN CA 1 1 1 1223 1 1 83 GLN CB C -6.951 2.409 -10.314 1.00 . A X . 83 GLN CB 1 1 1 1224 1 1 83 GLN CD C -8.338 1.387 -12.156 1.00 . A X . 83 GLN CD 1 1 1 1225 1 1 83 GLN CG C -8.330 1.947 -10.749 1.00 . A X . 83 GLN CG 1 1 1 1226 1 1 83 GLN H H -7.512 5.008 -11.026 1.00 . A X . 83 GLN H 1 1 1 1227 1 1 83 GLN HA H -7.440 3.464 -8.520 1.00 . A X . 83 GLN HA 1 1 1 1228 1 1 83 GLN HB2 H -6.356 2.587 -11.198 1.00 . A X . 83 GLN HB2 1 1 1 1229 1 1 83 GLN HB3 H -6.495 1.618 -9.736 1.00 . A X . 83 GLN HB3 1 1 1 1230 1 1 83 GLN HE21 H -10.326 1.365 -12.162 1.00 . A X . 83 GLN HE21 1 1 1 1231 1 1 83 GLN HE22 H -9.564 0.801 -13.607 1.00 . A X . 83 GLN HE22 1 1 1 1232 1 1 83 GLN HG2 H -8.669 1.178 -10.070 1.00 . A X . 83 GLN HG2 1 1 1 1233 1 1 83 GLN HG3 H -9.008 2.788 -10.707 1.00 . A X . 83 GLN HG3 1 1 1 1234 1 1 83 GLN N N -7.778 4.705 -10.134 1.00 . A X . 83 GLN N 1 1 1 1235 1 1 83 GLN NE2 N -9.529 1.161 -12.696 1.00 . A X . 83 GLN NE2 1 1 1 1236 1 1 83 GLN O O -5.233 5.340 -9.453 1.00 . A X . 83 GLN O 1 1 1 1237 1 1 83 GLN OE1 O -7.285 1.168 -12.755 1.00 . A X . 83 GLN OE1 1 1 1 1238 1 1 84 CYS C C -2.436 2.350 -8.454 1.00 . A X . 84 CYS C 1 1 1 1239 1 1 84 CYS CA C -3.315 3.596 -8.428 1.00 . A X . 84 CYS CA 1 1 1 1240 1 1 84 CYS CB C -3.227 4.254 -7.052 1.00 . A X . 84 CYS CB 1 1 1 1241 1 1 84 CYS H H -5.029 2.363 -8.561 1.00 . A X . 84 CYS H 1 1 1 1242 1 1 84 CYS HA H -2.962 4.291 -9.174 1.00 . A X . 84 CYS HA 1 1 1 1243 1 1 84 CYS HB2 H -4.139 4.046 -6.519 1.00 . A X . 84 CYS HB2 1 1 1 1244 1 1 84 CYS HB3 H -2.393 3.838 -6.505 1.00 . A X . 84 CYS HB3 1 1 1 1245 1 1 84 CYS N N -4.705 3.272 -8.734 1.00 . A X . 84 CYS N 1 1 1 1246 1 1 84 CYS O O -2.928 1.224 -8.371 1.00 . A X . 84 CYS O 1 1 1 1247 1 1 84 CYS SG S -3.025 6.060 -7.081 1.00 . A X . 84 CYS SG 1 1 1 1248 1 1 85 LEU C C 0.850 1.624 -7.447 1.00 . A X . 85 LEU C 1 1 1 1249 1 1 85 LEU CA C -0.170 1.469 -8.575 1.00 . A X . 85 LEU CA 1 1 1 1250 1 1 85 LEU CB C 0.541 1.419 -9.928 1.00 . A X . 85 LEU CB 1 1 1 1251 1 1 85 LEU CD1 C 0.391 1.368 -12.431 1.00 . A X . 85 LEU CD1 1 1 1 1252 1 1 85 LEU CD2 C -1.037 -0.162 -11.064 1.00 . A X . 85 LEU CD2 1 1 1 1253 1 1 85 LEU CG C -0.380 1.208 -11.131 1.00 . A X . 85 LEU CG 1 1 1 1254 1 1 85 LEU H H -0.800 3.487 -8.606 1.00 . A X . 85 LEU H 1 1 1 1255 1 1 85 LEU HA H -0.715 0.548 -8.428 1.00 . A X . 85 LEU HA 1 1 1 1256 1 1 85 LEU HB2 H 1.075 2.349 -10.066 1.00 . A X . 85 LEU HB2 1 1 1 1257 1 1 85 LEU HB3 H 1.258 0.612 -9.906 1.00 . A X . 85 LEU HB3 1 1 1 1258 1 1 85 LEU HD11 H 1.425 1.099 -12.273 1.00 . A X . 85 LEU HD11 1 1 1 1259 1 1 85 LEU HD12 H 0.333 2.396 -12.760 1.00 . A X . 85 LEU HD12 1 1 1 1260 1 1 85 LEU HD13 H -0.037 0.725 -13.185 1.00 . A X . 85 LEU HD13 1 1 1 1261 1 1 85 LEU HD21 H -0.283 -0.915 -10.891 1.00 . A X . 85 LEU HD21 1 1 1 1262 1 1 85 LEU HD22 H -1.542 -0.366 -11.997 1.00 . A X . 85 LEU HD22 1 1 1 1263 1 1 85 LEU HD23 H -1.754 -0.179 -10.256 1.00 . A X . 85 LEU HD23 1 1 1 1264 1 1 85 LEU HG H -1.161 1.955 -11.113 1.00 . A X . 85 LEU HG 1 1 1 1265 1 1 85 LEU N N -1.128 2.566 -8.555 1.00 . A X . 85 LEU N 1 1 1 1266 1 1 85 LEU O O 1.611 2.591 -7.412 1.00 . A X . 85 LEU O 1 1 1 1267 1 1 86 LEU C C 2.681 -0.555 -5.428 1.00 . A X . 86 LEU C 1 1 1 1268 1 1 86 LEU CA C 1.783 0.681 -5.397 1.00 . A X . 86 LEU CA 1 1 1 1269 1 1 86 LEU CB C 1.003 0.745 -4.082 1.00 . A X . 86 LEU CB 1 1 1 1270 1 1 86 LEU CD1 C -0.582 1.952 -2.563 1.00 . A X . 86 LEU CD1 1 1 1 1271 1 1 86 LEU CD2 C 1.255 3.213 -3.697 1.00 . A X . 86 LEU CD2 1 1 1 1272 1 1 86 LEU CG C 0.269 2.061 -3.819 1.00 . A X . 86 LEU CG 1 1 1 1273 1 1 86 LEU H H 0.228 -0.082 -6.615 1.00 . A X . 86 LEU H 1 1 1 1274 1 1 86 LEU HA H 2.400 1.562 -5.487 1.00 . A X . 86 LEU HA 1 1 1 1275 1 1 86 LEU HB2 H 0.271 -0.045 -4.092 1.00 . A X . 86 LEU HB2 1 1 1 1276 1 1 86 LEU HB3 H 1.690 0.571 -3.268 1.00 . A X . 86 LEU HB3 1 1 1 1277 1 1 86 LEU HD11 H -0.897 2.939 -2.254 1.00 . A X . 86 LEU HD11 1 1 1 1278 1 1 86 LEU HD12 H -0.003 1.496 -1.774 1.00 . A X . 86 LEU HD12 1 1 1 1279 1 1 86 LEU HD13 H -1.451 1.345 -2.768 1.00 . A X . 86 LEU HD13 1 1 1 1280 1 1 86 LEU HD21 H 1.878 3.064 -2.828 1.00 . A X . 86 LEU HD21 1 1 1 1281 1 1 86 LEU HD22 H 0.711 4.140 -3.595 1.00 . A X . 86 LEU HD22 1 1 1 1282 1 1 86 LEU HD23 H 1.873 3.254 -4.582 1.00 . A X . 86 LEU HD23 1 1 1 1283 1 1 86 LEU HG H -0.389 2.270 -4.650 1.00 . A X . 86 LEU HG 1 1 1 1284 1 1 86 LEU N N 0.859 0.663 -6.529 1.00 . A X . 86 LEU N 1 1 1 1285 1 1 86 LEU O O 2.315 -1.574 -6.009 1.00 . A X . 86 LEU O 1 1 1 1286 1 1 87 ARG C C 5.571 -1.747 -3.535 1.00 . A X . 87 ARG C 1 1 1 1287 1 1 87 ARG CA C 4.792 -1.601 -4.843 1.00 . A X . 87 ARG CA 1 1 1 1288 1 1 87 ARG CB C 5.761 -1.460 -6.014 1.00 . A X . 87 ARG CB 1 1 1 1289 1 1 87 ARG CD C 7.375 -2.610 -7.543 1.00 . A X . 87 ARG CD 1 1 1 1290 1 1 87 ARG CG C 6.685 -2.651 -6.192 1.00 . A X . 87 ARG CG 1 1 1 1291 1 1 87 ARG CZ C 9.661 -2.955 -8.405 1.00 . A X . 87 ARG CZ 1 1 1 1292 1 1 87 ARG H H 4.127 0.378 -4.394 1.00 . A X . 87 ARG H 1 1 1 1293 1 1 87 ARG HA H 4.205 -2.495 -4.991 1.00 . A X . 87 ARG HA 1 1 1 1294 1 1 87 ARG HB2 H 5.193 -1.334 -6.923 1.00 . A X . 87 ARG HB2 1 1 1 1295 1 1 87 ARG HB3 H 6.370 -0.581 -5.856 1.00 . A X . 87 ARG HB3 1 1 1 1296 1 1 87 ARG HD2 H 6.779 -3.164 -8.253 1.00 . A X . 87 ARG HD2 1 1 1 1297 1 1 87 ARG HD3 H 7.449 -1.581 -7.864 1.00 . A X . 87 ARG HD3 1 1 1 1298 1 1 87 ARG HE H 8.925 -3.779 -6.740 1.00 . A X . 87 ARG HE 1 1 1 1299 1 1 87 ARG HG2 H 7.433 -2.636 -5.413 1.00 . A X . 87 ARG HG2 1 1 1 1300 1 1 87 ARG HG3 H 6.104 -3.559 -6.121 1.00 . A X . 87 ARG HG3 1 1 1 1301 1 1 87 ARG HH11 H 8.513 -1.759 -9.568 1.00 . A X . 87 ARG HH11 1 1 1 1302 1 1 87 ARG HH12 H 10.132 -2.007 -10.129 1.00 . A X . 87 ARG HH12 1 1 1 1303 1 1 87 ARG HH21 H 11.052 -4.093 -7.481 1.00 . A X . 87 ARG HH21 1 1 1 1304 1 1 87 ARG HH22 H 11.571 -3.329 -8.946 1.00 . A X . 87 ARG HH22 1 1 1 1305 1 1 87 ARG N N 3.866 -0.464 -4.831 1.00 . A X . 87 ARG N 1 1 1 1306 1 1 87 ARG NE N 8.714 -3.190 -7.495 1.00 . A X . 87 ARG NE 1 1 1 1307 1 1 87 ARG NH1 N 9.414 -2.176 -9.453 1.00 . A X . 87 ARG NH1 1 1 1 1308 1 1 87 ARG NH2 N 10.859 -3.504 -8.266 1.00 . A X . 87 ARG NH2 1 1 1 1309 1 1 87 ARG O O 5.978 -0.759 -2.929 1.00 . A X . 87 ARG O 1 1 1 1310 1 1 88 LEU C C 7.471 -4.482 -2.140 1.00 . A X . 88 LEU C 1 1 1 1311 1 1 88 LEU CA C 6.527 -3.308 -1.896 1.00 . A X . 88 LEU CA 1 1 1 1312 1 1 88 LEU CB C 5.550 -3.661 -0.775 1.00 . A X . 88 LEU CB 1 1 1 1313 1 1 88 LEU CD1 C 3.279 -2.850 -0.037 1.00 . A X . 88 LEU CD1 1 1 1 1314 1 1 88 LEU CD2 C 5.342 -2.009 1.107 1.00 . A X . 88 LEU CD2 1 1 1 1315 1 1 88 LEU CG C 4.748 -2.481 -0.214 1.00 . A X . 88 LEU CG 1 1 1 1316 1 1 88 LEU H H 5.440 -3.747 -3.662 1.00 . A X . 88 LEU H 1 1 1 1317 1 1 88 LEU HA H 7.100 -2.437 -1.615 1.00 . A X . 88 LEU HA 1 1 1 1318 1 1 88 LEU HB2 H 4.856 -4.398 -1.156 1.00 . A X . 88 LEU HB2 1 1 1 1319 1 1 88 LEU HB3 H 6.110 -4.106 0.028 1.00 . A X . 88 LEU HB3 1 1 1 1320 1 1 88 LEU HD11 H 2.985 -2.701 0.992 1.00 . A X . 88 LEU HD11 1 1 1 1321 1 1 88 LEU HD12 H 3.130 -3.884 -0.307 1.00 . A X . 88 LEU HD12 1 1 1 1322 1 1 88 LEU HD13 H 2.679 -2.221 -0.675 1.00 . A X . 88 LEU HD13 1 1 1 1323 1 1 88 LEU HD21 H 4.941 -2.606 1.911 1.00 . A X . 88 LEU HD21 1 1 1 1324 1 1 88 LEU HD22 H 5.088 -0.975 1.271 1.00 . A X . 88 LEU HD22 1 1 1 1325 1 1 88 LEU HD23 H 6.416 -2.117 1.079 1.00 . A X . 88 LEU HD23 1 1 1 1326 1 1 88 LEU HG H 4.798 -1.665 -0.915 1.00 . A X . 88 LEU HG 1 1 1 1327 1 1 88 LEU N N 5.785 -3.001 -3.121 1.00 . A X . 88 LEU N 1 1 1 1328 1 1 88 LEU O O 7.106 -5.422 -2.848 1.00 . A X . 88 LEU O 1 1 1 1329 1 1 89 ASN C C 10.480 -5.866 -0.570 1.00 . A X . 89 ASN C 1 1 1 1330 1 1 89 ASN CA C 9.621 -5.548 -1.796 1.00 . A X . 89 ASN CA 1 1 1 1331 1 1 89 ASN CB C 10.514 -5.240 -2.997 1.00 . A X . 89 ASN CB 1 1 1 1332 1 1 89 ASN CG C 11.155 -6.487 -3.572 1.00 . A X . 89 ASN CG 1 1 1 1333 1 1 89 ASN H H 8.958 -3.677 -1.020 1.00 . A X . 89 ASN H 1 1 1 1334 1 1 89 ASN HA H 9.035 -6.421 -2.028 1.00 . A X . 89 ASN HA 1 1 1 1335 1 1 89 ASN HB2 H 9.921 -4.773 -3.769 1.00 . A X . 89 ASN HB2 1 1 1 1336 1 1 89 ASN HB3 H 11.297 -4.562 -2.691 1.00 . A X . 89 ASN HB3 1 1 1 1337 1 1 89 ASN HD21 H 11.187 -5.665 -5.382 1.00 . A X . 89 ASN HD21 1 1 1 1338 1 1 89 ASN HD22 H 11.832 -7.264 -5.272 1.00 . A X . 89 ASN HD22 1 1 1 1339 1 1 89 ASN N N 8.687 -4.446 -1.575 1.00 . A X . 89 ASN N 1 1 1 1340 1 1 89 ASN ND2 N 11.418 -6.471 -4.874 1.00 . A X . 89 ASN ND2 1 1 1 1341 1 1 89 ASN O O 11.184 -4.999 -0.034 1.00 . A X . 89 ASN O 1 1 1 1342 1 1 89 ASN OD1 O 11.406 -7.457 -2.857 1.00 . A X . 89 ASN OD1 1 1 1 1343 1 1 90 VAL C C 11.994 -8.855 0.655 1.00 . A X . 90 VAL C 1 1 1 1344 1 1 90 VAL CA C 11.234 -7.582 0.991 1.00 . A X . 90 VAL CA 1 1 1 1345 1 1 90 VAL CB C 10.402 -7.826 2.245 1.00 . A X . 90 VAL CB 1 1 1 1346 1 1 90 VAL CG1 C 11.319 -7.998 3.444 1.00 . A X . 90 VAL CG1 1 1 1 1347 1 1 90 VAL CG2 C 9.432 -6.689 2.463 1.00 . A X . 90 VAL CG2 1 1 1 1348 1 1 90 VAL H H 9.867 -7.776 -0.616 1.00 . A X . 90 VAL H 1 1 1 1349 1 1 90 VAL HA H 11.943 -6.807 1.204 1.00 . A X . 90 VAL HA 1 1 1 1350 1 1 90 VAL HB H 9.844 -8.737 2.109 1.00 . A X . 90 VAL HB 1 1 1 1351 1 1 90 VAL HG11 H 12.026 -7.183 3.471 1.00 . A X . 90 VAL HG11 1 1 1 1352 1 1 90 VAL HG12 H 11.853 -8.933 3.359 1.00 . A X . 90 VAL HG12 1 1 1 1353 1 1 90 VAL HG13 H 10.733 -7.998 4.350 1.00 . A X . 90 VAL HG13 1 1 1 1354 1 1 90 VAL HG21 H 9.808 -5.797 1.983 1.00 . A X . 90 VAL HG21 1 1 1 1355 1 1 90 VAL HG22 H 9.324 -6.507 3.522 1.00 . A X . 90 VAL HG22 1 1 1 1356 1 1 90 VAL HG23 H 8.476 -6.943 2.041 1.00 . A X . 90 VAL HG23 1 1 1 1357 1 1 90 VAL N N 10.433 -7.131 -0.142 1.00 . A X . 90 VAL N 1 1 1 1358 1 1 90 VAL O O 11.378 -9.877 0.327 1.00 . A X . 90 VAL O 1 1 1 1359 1 1 91 VAL C C 15.407 -9.987 1.366 1.00 . A X . 91 VAL C 1 1 1 1360 1 1 91 VAL CA C 14.176 -9.936 0.435 1.00 . A X . 91 VAL CA 1 1 1 1361 1 1 91 VAL CB C 14.583 -9.908 -1.075 1.00 . A X . 91 VAL CB 1 1 1 1362 1 1 91 VAL CG1 C 13.404 -9.482 -1.943 1.00 . A X . 91 VAL CG1 1 1 1 1363 1 1 91 VAL CG2 C 15.778 -8.992 -1.331 1.00 . A X . 91 VAL CG2 1 1 1 1364 1 1 91 VAL H H 13.745 -7.950 1.023 1.00 . A X . 91 VAL H 1 1 1 1365 1 1 91 VAL HA H 13.598 -10.820 0.606 1.00 . A X . 91 VAL HA 1 1 1 1366 1 1 91 VAL HB H 14.848 -10.905 -1.377 1.00 . A X . 91 VAL HB 1 1 1 1367 1 1 91 VAL HG11 H 13.254 -8.417 -1.848 1.00 . A X . 91 VAL HG11 1 1 1 1368 1 1 91 VAL HG12 H 12.513 -10.001 -1.620 1.00 . A X . 91 VAL HG12 1 1 1 1369 1 1 91 VAL HG13 H 13.608 -9.727 -2.975 1.00 . A X . 91 VAL HG13 1 1 1 1370 1 1 91 VAL HG21 H 16.693 -9.554 -1.215 1.00 . A X . 91 VAL HG21 1 1 1 1371 1 1 91 VAL HG22 H 15.764 -8.177 -0.623 1.00 . A X . 91 VAL HG22 1 1 1 1372 1 1 91 VAL HG23 H 15.721 -8.599 -2.335 1.00 . A X . 91 VAL HG23 1 1 1 1373 1 1 91 VAL N N 13.325 -8.790 0.746 1.00 . A X . 91 VAL N 1 1 1 1374 1 1 91 VAL O O 15.540 -9.158 2.265 1.00 . A X . 91 VAL O 1 1 1 1375 1 1 92 PRO C C 18.681 -10.290 1.466 1.00 . A X . 92 PRO C 1 1 1 1376 1 1 92 PRO CA C 17.503 -11.085 2.025 1.00 . A X . 92 PRO CA 1 1 1 1377 1 1 92 PRO CB C 17.783 -12.583 1.988 1.00 . A X . 92 PRO CB 1 1 1 1378 1 1 92 PRO CD C 16.280 -12.040 0.176 1.00 . A X . 92 PRO CD 1 1 1 1379 1 1 92 PRO CG C 17.339 -13.018 0.631 1.00 . A X . 92 PRO CG 1 1 1 1380 1 1 92 PRO HA H 17.308 -10.773 3.035 1.00 . A X . 92 PRO HA 1 1 1 1381 1 1 92 PRO HB2 H 18.839 -12.759 2.136 1.00 . A X . 92 PRO HB2 1 1 1 1382 1 1 92 PRO HB3 H 17.218 -13.077 2.762 1.00 . A X . 92 PRO HB3 1 1 1 1383 1 1 92 PRO HD2 H 16.533 -11.653 -0.799 1.00 . A X . 92 PRO HD2 1 1 1 1384 1 1 92 PRO HD3 H 15.311 -12.515 0.155 1.00 . A X . 92 PRO HD3 1 1 1 1385 1 1 92 PRO HG2 H 18.178 -13.001 -0.049 1.00 . A X . 92 PRO HG2 1 1 1 1386 1 1 92 PRO HG3 H 16.926 -14.015 0.686 1.00 . A X . 92 PRO HG3 1 1 1 1387 1 1 92 PRO N N 16.319 -10.967 1.188 1.00 . A X . 92 PRO N 1 1 1 1388 1 1 92 PRO O O 18.828 -10.165 0.250 1.00 . A X . 92 PRO O 1 1 1 1389 1 1 93 PRO C C 21.760 -9.824 1.246 1.00 . A X . 93 PRO C 1 1 1 1390 1 1 93 PRO CA C 20.700 -8.952 1.903 1.00 . A X . 93 PRO CA 1 1 1 1391 1 1 93 PRO CB C 21.235 -8.343 3.200 1.00 . A X . 93 PRO CB 1 1 1 1392 1 1 93 PRO CD C 19.466 -9.820 3.816 1.00 . A X . 93 PRO CD 1 1 1 1393 1 1 93 PRO CG C 20.796 -9.285 4.265 1.00 . A X . 93 PRO CG 1 1 1 1394 1 1 93 PRO HA H 20.411 -8.164 1.222 1.00 . A X . 93 PRO HA 1 1 1 1395 1 1 93 PRO HB2 H 22.312 -8.273 3.151 1.00 . A X . 93 PRO HB2 1 1 1 1396 1 1 93 PRO HB3 H 20.810 -7.361 3.343 1.00 . A X . 93 PRO HB3 1 1 1 1397 1 1 93 PRO HD2 H 19.342 -10.844 4.137 1.00 . A X . 93 PRO HD2 1 1 1 1398 1 1 93 PRO HD3 H 18.665 -9.204 4.195 1.00 . A X . 93 PRO HD3 1 1 1 1399 1 1 93 PRO HG2 H 21.511 -10.089 4.363 1.00 . A X . 93 PRO HG2 1 1 1 1400 1 1 93 PRO HG3 H 20.691 -8.758 5.202 1.00 . A X . 93 PRO HG3 1 1 1 1401 1 1 93 PRO N N 19.543 -9.734 2.342 1.00 . A X . 93 PRO N 1 1 1 1402 1 1 93 PRO O O 22.309 -10.729 1.875 1.00 . A X . 93 PRO O 1 1 1 1403 1 1 94 SER C C 24.446 -9.832 -0.395 1.00 . A X . 94 SER C 1 1 1 1404 1 1 94 SER CA C 23.045 -10.311 -0.752 1.00 . A X . 94 SER CA 1 1 1 1405 1 1 94 SER CB C 22.813 -10.184 -2.259 1.00 . A X . 94 SER CB 1 1 1 1406 1 1 94 SER H H 21.578 -8.813 -0.470 1.00 . A X . 94 SER H 1 1 1 1407 1 1 94 SER HA H 22.947 -11.348 -0.466 1.00 . A X . 94 SER HA 1 1 1 1408 1 1 94 SER HB2 H 23.134 -9.207 -2.588 1.00 . A X . 94 SER HB2 1 1 1 1409 1 1 94 SER HB3 H 23.383 -10.943 -2.774 1.00 . A X . 94 SER HB3 1 1 1 1410 1 1 94 SER HG H 21.310 -10.172 -3.514 1.00 . A X . 94 SER HG 1 1 1 1411 1 1 94 SER N N 22.047 -9.547 -0.020 1.00 . A X . 94 SER N 1 1 1 1412 1 1 94 SER O O 24.949 -8.866 -0.970 1.00 . A X . 94 SER O 1 1 1 1413 1 1 94 SER OG O 21.442 -10.345 -2.579 1.00 . A X . 94 SER OG 1 1 1 1414 1 1 95 ASN C C 27.445 -10.570 -0.040 1.00 . A X . 95 ASN C 1 1 1 1415 1 1 95 ASN CA C 26.411 -10.157 0.999 1.00 . A X . 95 ASN CA 1 1 1 1416 1 1 95 ASN CB C 26.724 -10.823 2.341 1.00 . A X . 95 ASN CB 1 1 1 1417 1 1 95 ASN CG C 25.760 -10.404 3.434 1.00 . A X . 95 ASN CG 1 1 1 1418 1 1 95 ASN H H 24.613 -11.271 0.981 1.00 . A X . 95 ASN H 1 1 1 1419 1 1 95 ASN HA H 26.447 -9.085 1.122 1.00 . A X . 95 ASN HA 1 1 1 1420 1 1 95 ASN HB2 H 26.664 -11.895 2.227 1.00 . A X . 95 ASN HB2 1 1 1 1421 1 1 95 ASN HB3 H 27.724 -10.553 2.645 1.00 . A X . 95 ASN HB3 1 1 1 1422 1 1 95 ASN HD21 H 27.024 -11.043 4.829 1.00 . A X . 95 ASN HD21 1 1 1 1423 1 1 95 ASN HD22 H 25.545 -10.366 5.411 1.00 . A X . 95 ASN HD22 1 1 1 1424 1 1 95 ASN N N 25.069 -10.513 0.560 1.00 . A X . 95 ASN N 1 1 1 1425 1 1 95 ASN ND2 N 26.149 -10.627 4.684 1.00 . A X . 95 ASN ND2 1 1 1 1426 1 1 95 ASN O O 27.273 -11.571 -0.736 1.00 . A X . 95 ASN O 1 1 1 1427 1 1 95 ASN OD1 O 24.680 -9.880 3.159 1.00 . A X . 95 ASN OD1 1 1 1 1428 1 1 96 LYS C C 30.832 -10.593 -0.382 1.00 . A X . 96 LYS C 1 1 1 1429 1 1 96 LYS CA C 29.582 -10.091 -1.096 1.00 . A X . 96 LYS CA 1 1 1 1430 1 1 96 LYS CB C 29.919 -8.851 -1.927 1.00 . A X . 96 LYS CB 1 1 1 1431 1 1 96 LYS CD C 29.096 -7.594 -3.951 1.00 . A X . 96 LYS CD 1 1 1 1432 1 1 96 LYS CE C 30.169 -6.529 -3.783 1.00 . A X . 96 LYS CE 1 1 1 1433 1 1 96 LYS CG C 28.715 -8.235 -2.623 1.00 . A X . 96 LYS CG 1 1 1 1434 1 1 96 LYS H H 28.604 -9.013 0.442 1.00 . A X . 96 LYS H 1 1 1 1435 1 1 96 LYS HA H 29.225 -10.867 -1.757 1.00 . A X . 96 LYS HA 1 1 1 1436 1 1 96 LYS HB2 H 30.352 -8.105 -1.277 1.00 . A X . 96 LYS HB2 1 1 1 1437 1 1 96 LYS HB3 H 30.643 -9.123 -2.680 1.00 . A X . 96 LYS HB3 1 1 1 1438 1 1 96 LYS HD2 H 29.468 -8.361 -4.613 1.00 . A X . 96 LYS HD2 1 1 1 1439 1 1 96 LYS HD3 H 28.216 -7.140 -4.384 1.00 . A X . 96 LYS HD3 1 1 1 1440 1 1 96 LYS HE2 H 29.914 -5.679 -4.398 1.00 . A X . 96 LYS HE2 1 1 1 1441 1 1 96 LYS HE3 H 30.200 -6.227 -2.747 1.00 . A X . 96 LYS HE3 1 1 1 1442 1 1 96 LYS HG2 H 27.983 -9.007 -2.804 1.00 . A X . 96 LYS HG2 1 1 1 1443 1 1 96 LYS HG3 H 28.289 -7.479 -1.978 1.00 . A X . 96 LYS HG3 1 1 1 1444 1 1 96 LYS HZ1 H 31.718 -6.758 -5.167 1.00 . A X . 96 LYS HZ1 1 1 1 1445 1 1 96 LYS HZ2 H 31.547 -8.066 -4.109 1.00 . A X . 96 LYS HZ2 1 1 1 1446 1 1 96 LYS HZ3 H 32.245 -6.625 -3.564 1.00 . A X . 96 LYS HZ3 1 1 1 1447 1 1 96 LYS N N 28.521 -9.797 -0.140 1.00 . A X . 96 LYS N 1 1 1 1448 1 1 96 LYS NZ N 31.514 -7.030 -4.183 1.00 . A X . 96 LYS NZ 1 1 1 1449 1 1 96 LYS O O 31.019 -10.239 0.801 1.00 . A X . 96 LYS O 1 1 1 1450 1 1 96 LYS OXT O 31.612 -11.338 -1.011 1.00 . A X . 96 LYS OXT 1 1 stop_ save_
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